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 2g04_1_C DATA FIRST_RESID 4 DATA SEQUENCE GGPLAGVKVI ELGGIGPGPH AGMVLADLGA DVVRVRRPGG LTMPSEDRDL DATA SEQUENCE LHRGKRIVDL DVXXXPQAML ELAAKADVLL DCFRPGTCER LGIGPDDCAS DATA SEQUENCE VNPRLIFARI TGWGQDGPLA STAGHDINYL SQTGALAAFG YADRPPMPPL DATA SEQUENCE NLVADFGGGS MLVLLGIVVA LYERERSGVG QVVDAAMVDG VSVLAQMMWT DATA SEQUENCE MKGIGSLRDQ RESFLLDGGA PFYRCYETSD GKYMAVGAIE PQFFAALLSG DATA SEQUENCE LGLSAADVPT QLDVAGYPQM YDIFAERFAS RTRDEWTRVF AGTDACVTPV DATA SEQUENCE LAWSEAANND HLKARSTVIT AHGVQQAAPA PRFSRTPAGP VRPPPAAATP DATA SEQUENCE IDEINW 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 4 G HA2 0.000 nan 3.960 nan 0.000 0.244 4 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 4 G C 0.000 174.876 174.900 -0.040 0.000 0.946 4 G CA 0.000 45.088 45.100 -0.020 0.000 0.502 5 G N 2.077 110.842 108.800 -0.059 0.000 2.764 5 G HA2 0.049 4.009 3.960 0.000 0.000 0.686 5 G HA3 0.049 4.009 3.960 0.000 0.000 0.686 5 G C -0.811 173.988 174.900 -0.168 0.000 1.258 5 G CA -0.122 44.912 45.100 -0.110 0.000 0.846 5 G HN 0.483 nan 8.290 nan 0.000 0.596 6 P HA -0.055 nan 4.420 nan 0.000 0.220 6 P C 1.672 178.843 177.300 -0.214 0.000 1.148 6 P CA 0.957 63.859 63.100 -0.329 0.000 0.803 6 P CB 0.223 31.519 31.700 -0.673 0.000 0.782 7 L N -0.863 120.249 121.223 -0.185 0.000 2.611 7 L HA 0.243 4.583 4.340 0.000 0.000 0.229 7 L C 1.046 177.864 176.870 -0.087 0.000 1.137 7 L CA -0.607 54.163 54.840 -0.117 0.000 0.901 7 L CB -0.450 41.552 42.059 -0.095 0.000 1.098 7 L HN -0.134 nan 8.230 nan 0.000 0.456 8 A N 0.022 122.792 122.820 -0.084 0.000 2.567 8 A HA 0.337 4.657 4.320 0.000 0.000 0.240 8 A C 1.417 178.968 177.584 -0.056 0.000 1.053 8 A CA 0.966 52.969 52.037 -0.056 0.000 0.755 8 A CB -0.196 18.775 19.000 -0.049 0.000 0.978 8 A HN 0.622 nan 8.150 nan 0.000 0.507 9 G N 0.996 109.767 108.800 -0.047 0.000 2.194 9 G HA2 -0.156 3.804 3.960 0.000 0.000 0.236 9 G HA3 -0.156 3.804 3.960 0.000 0.000 0.236 9 G C 0.191 175.019 174.900 -0.119 0.000 0.987 9 G CA -0.013 45.048 45.100 -0.065 0.000 0.635 9 G HN 1.468 nan 8.290 nan 0.000 0.520 10 V N 3.015 122.859 119.914 -0.116 0.000 2.488 10 V HA 0.395 4.515 4.120 0.000 0.000 0.277 10 V C 0.267 176.217 176.094 -0.239 0.000 1.046 10 V CA -0.472 61.731 62.300 -0.162 0.000 0.986 10 V CB 1.427 33.182 31.823 -0.113 0.000 0.989 10 V HN 0.249 nan 8.190 nan 0.000 0.475 11 K N 5.037 125.172 120.400 -0.441 0.000 2.262 11 K HA 0.517 4.837 4.320 0.000 0.000 0.282 11 K C -0.735 175.573 176.600 -0.486 0.000 1.066 11 K CA -0.293 55.496 56.287 -0.830 0.000 0.901 11 K CB 1.430 32.984 32.500 -1.576 0.000 1.089 11 K HN 0.417 nan 8.250 nan 0.000 0.476 12 V N 4.129 123.928 119.914 -0.193 0.000 2.604 12 V HA 0.508 4.628 4.120 0.000 0.000 0.305 12 V C 0.102 176.275 176.094 0.132 0.000 1.043 12 V CA -0.958 61.319 62.300 -0.037 0.000 0.888 12 V CB 1.816 33.633 31.823 -0.009 0.000 0.995 12 V HN 0.570 nan 8.190 nan 0.000 0.429 13 I N 3.035 123.650 120.570 0.074 0.000 2.382 13 I HA 0.421 4.591 4.170 0.000 0.000 0.285 13 I C -0.008 176.115 176.117 0.011 0.000 1.007 13 I CA -0.254 61.108 61.300 0.104 0.000 1.142 13 I CB 1.646 39.711 38.000 0.109 0.000 1.289 13 I HN 0.689 nan 8.210 nan 0.000 0.453 14 E N 4.921 125.130 120.200 0.015 0.000 2.200 14 E HA 0.318 4.668 4.350 0.000 0.000 0.283 14 E C -0.370 176.198 176.600 -0.052 0.000 1.015 14 E CA -0.395 55.989 56.400 -0.027 0.000 0.819 14 E CB 1.317 31.022 29.700 0.008 0.000 1.081 14 E HN 0.497 nan 8.360 nan 0.000 0.397 15 L N 3.134 124.275 121.223 -0.137 0.000 2.738 15 L HA 0.309 4.649 4.340 0.000 0.000 0.178 15 L C 1.175 177.803 176.870 -0.404 0.000 1.281 15 L CA 0.805 55.530 54.840 -0.192 0.000 0.864 15 L CB -0.847 41.095 42.059 -0.196 0.000 1.224 15 L HN 0.618 nan 8.230 nan 0.000 0.520 16 G N -0.872 107.425 108.800 -0.839 0.000 2.491 16 G HA2 0.365 4.325 3.960 0.000 0.000 0.238 16 G HA3 0.365 4.325 3.960 0.000 0.000 0.238 16 G C 0.224 174.987 174.900 -0.228 0.000 1.277 16 G CA 0.246 44.906 45.100 -0.734 0.000 0.851 16 G HN 0.440 nan 8.290 nan 0.000 0.573 17 G N 0.323 109.077 108.800 -0.076 0.000 4.928 17 G HA2 0.512 4.472 3.960 0.000 0.000 0.321 17 G HA3 0.512 4.472 3.960 0.000 0.000 0.321 17 G C -0.559 174.381 174.900 0.066 0.000 1.455 17 G CA -0.360 44.766 45.100 0.042 0.000 1.081 17 G HN 0.850 nan 8.290 nan 0.000 0.569 18 I N -2.069 118.527 120.570 0.043 0.000 2.685 18 I HA 0.794 4.964 4.170 0.000 0.000 0.289 18 I C 0.784 176.948 176.117 0.080 0.000 1.292 18 I CA -0.661 60.679 61.300 0.066 0.000 1.050 18 I CB 1.033 39.074 38.000 0.069 0.000 1.301 18 I HN 0.641 nan 8.210 nan 0.000 0.425 19 G N 5.938 114.816 108.800 0.128 0.000 2.629 19 G HA2 -0.260 3.700 3.960 0.000 0.000 0.313 19 G HA3 -0.260 3.700 3.960 0.000 0.000 0.313 19 G C -1.038 174.047 174.900 0.308 0.000 1.217 19 G CA 0.602 45.833 45.100 0.219 0.000 0.994 19 G HN 0.653 nan 8.290 nan 0.000 0.549 20 P HA -0.201 nan 4.420 nan 0.000 0.217 20 P C 2.084 179.488 177.300 0.174 0.000 1.162 20 P CA 3.367 66.612 63.100 0.243 0.000 0.901 20 P CB -0.973 30.783 31.700 0.094 0.000 0.793 21 G N 1.552 110.399 108.800 0.078 0.000 2.721 21 G HA2 -0.244 3.717 3.960 0.000 0.000 0.218 21 G HA3 -0.244 3.717 3.960 0.000 0.000 0.218 21 G C -0.451 174.478 174.900 0.048 0.000 1.265 21 G CA 2.219 47.335 45.100 0.026 0.000 0.796 21 G HN 0.311 nan 8.290 nan 0.000 0.620 22 P HA -0.170 nan 4.420 nan 0.000 0.218 22 P C 1.401 178.708 177.300 0.011 0.000 1.149 22 P CA 1.685 64.813 63.100 0.047 0.000 0.817 22 P CB -0.320 31.384 31.700 0.007 0.000 0.785 23 H N 0.482 119.531 119.070 -0.036 0.000 2.389 23 H HA -0.007 4.549 4.556 0.000 0.000 0.299 23 H C 1.804 177.100 175.328 -0.054 0.000 1.081 23 H CA 1.559 57.546 56.048 -0.102 0.000 1.345 23 H CB -0.044 29.621 29.762 -0.162 0.000 1.393 23 H HN 0.014 nan 8.280 nan 0.000 0.520 24 A N 0.592 123.404 122.820 -0.012 0.000 1.873 24 A HA -0.069 4.251 4.320 0.000 0.000 0.215 24 A C 2.771 180.306 177.584 -0.082 0.000 1.186 24 A CA 1.367 53.370 52.037 -0.057 0.000 0.616 24 A CB -1.296 17.717 19.000 0.022 0.000 0.823 24 A HN 0.553 nan 8.150 nan 0.000 0.442 25 G N -0.422 108.355 108.800 -0.037 0.000 2.469 25 G HA2 -0.328 3.632 3.960 0.000 0.000 0.220 25 G HA3 -0.328 3.632 3.960 0.000 0.000 0.220 25 G C 1.641 176.519 174.900 -0.037 0.000 1.136 25 G CA 1.386 46.477 45.100 -0.015 0.000 0.759 25 G HN 0.525 nan 8.290 nan 0.000 0.562 26 M N 0.478 120.023 119.600 -0.091 0.000 2.065 26 M HA -0.117 4.363 4.480 0.000 0.000 0.259 26 M C 2.590 178.819 176.300 -0.118 0.000 1.071 26 M CA 1.830 57.065 55.300 -0.110 0.000 1.109 26 M CB -0.269 32.220 32.600 -0.185 0.000 1.313 26 M HN 0.113 nan 8.290 nan 0.000 0.408 27 V N 1.217 121.017 119.914 -0.189 0.000 2.332 27 V HA -0.302 3.818 4.120 0.000 0.000 0.248 27 V C 2.483 178.539 176.094 -0.062 0.000 1.055 27 V CA 1.483 63.703 62.300 -0.132 0.000 1.038 27 V CB -1.135 30.596 31.823 -0.154 0.000 0.651 27 V HN 0.457 nan 8.190 nan 0.000 0.450 28 L N 0.623 121.812 121.223 -0.057 0.000 1.990 28 L HA -0.204 4.136 4.340 0.000 0.000 0.213 28 L C 2.631 179.486 176.870 -0.023 0.000 1.072 28 L CA 2.493 57.314 54.840 -0.033 0.000 0.755 28 L CB -1.428 40.615 42.059 -0.027 0.000 0.889 28 L HN 0.328 nan 8.230 nan 0.000 0.432 29 A N -1.063 121.748 122.820 -0.015 0.000 1.933 29 A HA -0.199 4.121 4.320 0.000 0.000 0.218 29 A C 1.958 179.539 177.584 -0.004 0.000 1.175 29 A CA 1.731 53.769 52.037 0.001 0.000 0.628 29 A CB -0.644 18.365 19.000 0.016 0.000 0.814 29 A HN 0.453 nan 8.150 nan 0.000 0.444 30 D N -0.468 119.923 120.400 -0.014 0.000 2.218 30 D HA -0.083 4.557 4.640 0.000 0.000 0.204 30 D C 1.029 177.329 176.300 0.000 0.000 0.976 30 D CA 0.854 54.850 54.000 -0.006 0.000 0.853 30 D CB -0.147 40.643 40.800 -0.016 0.000 0.939 30 D HN 0.290 nan 8.370 nan 0.000 0.481 31 L N -0.815 120.401 121.223 -0.012 0.000 2.629 31 L HA 0.291 4.631 4.340 0.000 0.000 0.230 31 L C 1.671 178.500 176.870 -0.068 0.000 1.151 31 L CA 0.392 55.209 54.840 -0.038 0.000 0.924 31 L CB 0.038 42.071 42.059 -0.044 0.000 1.137 31 L HN 0.172 nan 8.230 nan 0.000 0.457 32 G N -1.530 107.247 108.800 -0.037 0.000 2.213 32 G HA2 -0.224 3.736 3.960 0.000 0.000 0.236 32 G HA3 -0.224 3.736 3.960 0.000 0.000 0.236 32 G C 0.662 175.548 174.900 -0.023 0.000 0.991 32 G CA 0.007 45.087 45.100 -0.034 0.000 0.629 32 G HN 0.638 nan 8.290 nan 0.000 0.517 33 A N 0.323 123.127 122.820 -0.026 0.000 2.466 33 A HA 0.457 4.777 4.320 0.000 0.000 0.238 33 A C 0.406 178.005 177.584 0.025 0.000 1.074 33 A CA 0.752 52.779 52.037 -0.018 0.000 0.774 33 A CB 0.283 19.267 19.000 -0.027 0.000 1.015 33 A HN 0.366 nan 8.150 nan 0.000 0.498 34 D N 2.210 122.640 120.400 0.050 0.000 2.494 34 D HA 0.335 4.975 4.640 0.000 0.000 0.217 34 D C -0.642 175.792 176.300 0.222 0.000 1.153 34 D CA 0.017 54.114 54.000 0.161 0.000 0.954 34 D CB 0.202 41.159 40.800 0.261 0.000 1.034 34 D HN 0.137 nan 8.370 nan 0.000 0.518 35 V N 2.991 122.995 119.914 0.150 0.000 2.465 35 V HA 0.326 4.446 4.120 0.000 0.000 0.279 35 V C 0.486 176.670 176.094 0.149 0.000 1.045 35 V CA -0.662 61.724 62.300 0.142 0.000 0.938 35 V CB 1.848 33.716 31.823 0.074 0.000 0.986 35 V HN 0.208 nan 8.190 nan 0.000 0.467 36 V N 5.596 125.613 119.914 0.171 0.000 2.482 36 V HA 0.436 4.556 4.120 0.000 0.000 0.295 36 V C 0.081 176.197 176.094 0.037 0.000 1.026 36 V CA -0.816 61.526 62.300 0.071 0.000 0.856 36 V CB 1.813 33.633 31.823 -0.005 0.000 1.001 36 V HN 0.776 nan 8.190 nan 0.000 0.424 37 R N 2.758 123.246 120.500 -0.020 0.000 2.490 37 R HA 0.558 4.898 4.340 0.000 0.000 0.280 37 R C -0.924 175.352 176.300 -0.040 0.000 1.077 37 R CA -0.213 55.861 56.100 -0.044 0.000 1.065 37 R CB 1.719 31.939 30.300 -0.132 0.000 1.003 37 R HN 0.471 nan 8.270 nan 0.000 0.470 38 V N 4.991 124.898 119.914 -0.011 0.000 2.443 38 V HA 0.452 4.572 4.120 0.000 0.000 0.293 38 V C -0.720 175.398 176.094 0.041 0.000 1.021 38 V CA -0.911 61.395 62.300 0.011 0.000 0.848 38 V CB 1.470 33.315 31.823 0.038 0.000 0.998 38 V HN 0.790 nan 8.190 nan 0.000 0.424 39 R N 3.141 123.659 120.500 0.029 0.000 2.680 39 R HA 0.619 4.959 4.340 0.000 0.000 0.269 39 R C -0.543 175.780 176.300 0.038 0.000 1.026 39 R CA -1.081 55.054 56.100 0.057 0.000 0.889 39 R CB 0.789 31.112 30.300 0.039 0.000 1.241 39 R HN 0.648 nan 8.270 nan 0.000 0.463 40 R N 1.935 122.467 120.500 0.052 0.000 2.756 40 R HA 0.127 4.467 4.340 0.000 0.000 0.264 40 R C -1.632 174.679 176.300 0.018 0.000 1.026 40 R CA -0.842 55.277 56.100 0.031 0.000 1.121 40 R CB -0.078 30.242 30.300 0.033 0.000 0.999 40 R HN 0.586 nan 8.270 nan 0.000 0.449 41 P HA -0.097 nan 4.420 nan 0.000 0.217 41 P C 1.177 178.481 177.300 0.006 0.000 1.151 41 P CA 1.605 64.706 63.100 0.002 0.000 0.828 41 P CB -0.243 31.456 31.700 -0.003 0.000 0.788 42 G N 0.377 109.184 108.800 0.011 0.000 2.916 42 G HA2 0.063 4.023 3.960 0.000 0.000 0.205 42 G HA3 0.063 4.023 3.960 0.000 0.000 0.205 42 G C 0.911 175.823 174.900 0.020 0.000 1.163 42 G CA 0.086 45.194 45.100 0.013 0.000 0.821 42 G HN 0.453 nan 8.290 nan 0.000 0.515 43 G N 0.006 108.819 108.800 0.023 0.000 2.138 43 G HA2 0.186 4.147 3.960 0.000 0.000 0.244 43 G HA3 0.186 4.147 3.960 0.000 0.000 0.244 43 G C 0.252 175.170 174.900 0.030 0.000 1.166 43 G CA -0.347 44.771 45.100 0.031 0.000 0.902 43 G HN 0.205 nan 8.290 nan 0.000 0.460 44 L N 2.932 124.178 121.223 0.038 0.000 3.034 44 L HA 0.201 4.541 4.340 0.000 0.000 0.245 44 L C 1.675 178.570 176.870 0.041 0.000 1.295 44 L CA -0.203 54.659 54.840 0.035 0.000 1.068 44 L CB -0.398 41.682 42.059 0.035 0.000 1.426 44 L HN 0.681 nan 8.230 nan 0.000 0.531 45 T N -1.962 112.620 114.554 0.046 0.000 2.926 45 T HA 0.358 4.708 4.350 0.000 0.000 0.307 45 T C 0.088 174.815 174.700 0.045 0.000 1.059 45 T CA -0.396 61.737 62.100 0.056 0.000 1.122 45 T CB 1.348 70.260 68.868 0.073 0.000 0.972 45 T HN 0.090 nan 8.240 nan 0.000 0.545 46 M N 4.082 123.709 119.600 0.045 0.000 2.213 46 M HA 0.411 4.891 4.480 0.000 0.000 0.286 46 M C -2.622 173.695 176.300 0.027 0.000 1.008 46 M CA -2.120 53.198 55.300 0.031 0.000 0.937 46 M CB 1.710 34.323 32.600 0.022 0.000 1.600 46 M HN 0.783 nan 8.290 nan 0.000 0.450 47 P HA 0.305 nan 4.420 nan 0.000 0.302 47 P C -0.570 176.752 177.300 0.036 0.000 1.307 47 P CA -0.389 62.724 63.100 0.021 0.000 0.754 47 P CB 0.420 32.126 31.700 0.009 0.000 1.298 48 S N -0.509 115.207 115.700 0.028 0.000 2.544 48 S HA -0.031 4.439 4.470 0.000 0.000 0.290 48 S C 1.353 175.983 174.600 0.050 0.000 1.276 48 S CA -0.180 58.038 58.200 0.030 0.000 1.075 48 S CB -0.361 62.848 63.200 0.015 0.000 0.849 48 S HN 0.332 nan 8.310 nan 0.000 0.494 49 E N 3.524 123.761 120.200 0.061 0.000 2.136 49 E HA -0.289 4.061 4.350 0.000 0.000 0.202 49 E C 1.123 177.774 176.600 0.085 0.000 1.019 49 E CA 2.051 58.515 56.400 0.107 0.000 0.819 49 E CB -0.525 29.172 29.700 -0.004 0.000 0.739 49 E HN 1.002 nan 8.360 nan 0.000 0.458 50 D N -0.151 120.268 120.400 0.031 0.000 2.392 50 D HA -0.111 4.529 4.640 0.000 0.000 0.228 50 D C 1.392 177.702 176.300 0.016 0.000 1.003 50 D CA 0.581 54.589 54.000 0.013 0.000 0.917 50 D CB 0.091 40.886 40.800 -0.008 0.000 0.890 50 D HN -0.071 nan 8.370 nan 0.000 0.532 51 R N -0.398 120.120 120.500 0.030 0.000 2.572 51 R HA 0.215 4.555 4.340 0.000 0.000 0.370 51 R C -0.844 175.467 176.300 0.019 0.000 1.005 51 R CA -0.366 55.745 56.100 0.018 0.000 1.146 51 R CB 0.328 30.633 30.300 0.009 0.000 1.390 51 R HN 0.036 nan 8.270 nan 0.000 0.553 52 D N 0.574 121.001 120.400 0.044 0.000 2.467 52 D HA 0.103 4.743 4.640 0.000 0.000 0.220 52 D C 1.073 177.360 176.300 -0.021 0.000 1.103 52 D CA -0.189 53.817 54.000 0.011 0.000 0.886 52 D CB 0.766 41.592 40.800 0.043 0.000 1.025 52 D HN 0.055 nan 8.370 nan 0.000 0.514 53 L N 3.038 124.238 121.223 -0.039 0.000 2.270 53 L HA -0.198 4.142 4.340 0.000 0.000 0.217 53 L C 2.058 178.881 176.870 -0.079 0.000 1.107 53 L CA 0.842 55.658 54.840 -0.040 0.000 0.772 53 L CB -0.110 41.920 42.059 -0.049 0.000 0.902 53 L HN 0.497 nan 8.230 nan 0.000 0.439 54 L N -1.258 119.863 121.223 -0.170 0.000 2.610 54 L HA -0.105 4.235 4.340 0.000 0.000 0.232 54 L C 1.596 178.301 176.870 -0.275 0.000 1.149 54 L CA 0.279 54.972 54.840 -0.245 0.000 0.872 54 L CB -0.468 41.397 42.059 -0.324 0.000 0.992 54 L HN 0.388 nan 8.230 nan 0.000 0.447 55 H N -0.186 118.877 119.070 -0.011 0.000 2.893 55 H HA 0.149 4.705 4.556 0.000 0.000 0.270 55 H C 0.529 175.853 175.328 -0.007 0.000 1.095 55 H CA -0.375 55.667 56.048 -0.010 0.000 1.186 55 H CB 0.320 30.078 29.762 -0.007 0.000 1.562 55 H HN 0.339 nan 8.280 nan 0.000 0.536 56 R N 0.678 121.234 120.500 0.093 0.000 2.619 56 R HA 0.107 4.447 4.340 0.000 0.000 0.268 56 R C 0.993 177.329 176.300 0.060 0.000 0.990 56 R CA 1.068 57.210 56.100 0.070 0.000 1.092 56 R CB -0.010 30.328 30.300 0.063 0.000 0.935 56 R HN 0.222 nan 8.270 nan 0.000 0.415 57 G N 1.429 110.262 108.800 0.054 0.000 2.189 57 G HA2 -0.358 3.602 3.960 0.000 0.000 0.267 57 G HA3 -0.358 3.602 3.960 0.000 0.000 0.267 57 G C -0.218 174.707 174.900 0.041 0.000 0.975 57 G CA 0.974 46.101 45.100 0.045 0.000 0.644 57 G HN 0.656 nan 8.290 nan 0.000 0.537 58 K N -0.592 119.835 120.400 0.045 0.000 2.267 58 K HA 0.810 5.130 4.320 0.000 0.000 0.236 58 K C 0.461 177.062 176.600 0.002 0.000 1.030 58 K CA -0.823 55.487 56.287 0.038 0.000 0.930 58 K CB 0.989 33.525 32.500 0.060 0.000 1.182 58 K HN 0.152 nan 8.250 nan 0.000 0.474 59 R N 1.019 121.507 120.500 -0.020 0.000 2.532 59 R HA 0.394 4.734 4.340 0.000 0.000 0.297 59 R C -0.807 175.443 176.300 -0.083 0.000 0.984 59 R CA -0.835 55.232 56.100 -0.054 0.000 0.884 59 R CB 1.091 31.353 30.300 -0.065 0.000 1.182 59 R HN 0.394 nan 8.270 nan 0.000 0.442 60 I N 3.054 123.564 120.570 -0.099 0.000 2.472 60 I HA 0.305 4.475 4.170 0.000 0.000 0.290 60 I C 0.142 176.204 176.117 -0.091 0.000 1.016 60 I CA -0.600 60.632 61.300 -0.113 0.000 1.348 60 I CB 1.534 39.459 38.000 -0.126 0.000 1.417 60 I HN 0.285 nan 8.210 nan 0.000 0.521 61 V N 5.047 124.912 119.914 -0.081 0.000 2.532 61 V HA 0.198 4.318 4.120 0.000 0.000 0.294 61 V C -0.497 175.569 176.094 -0.047 0.000 1.036 61 V CA -1.020 61.237 62.300 -0.072 0.000 0.876 61 V CB 1.972 33.742 31.823 -0.089 0.000 1.012 61 V HN 0.628 nan 8.190 nan 0.000 0.432 62 D N 4.455 124.831 120.400 -0.040 0.000 2.458 62 D HA 0.367 5.007 4.640 0.000 0.000 0.243 62 D C -0.290 176.000 176.300 -0.017 0.000 1.146 62 D CA 0.309 54.295 54.000 -0.024 0.000 0.877 62 D CB 1.961 42.748 40.800 -0.023 0.000 1.176 62 D HN 0.328 nan 8.370 nan 0.000 0.461 63 L N 2.921 124.143 121.223 -0.002 0.000 2.868 63 L HA 0.040 4.381 4.340 0.000 0.000 0.235 63 L C -0.936 175.945 176.870 0.018 0.000 0.993 63 L CA -0.446 54.397 54.840 0.005 0.000 1.070 63 L CB 0.919 42.980 42.059 0.004 0.000 1.371 63 L HN 0.258 nan 8.230 nan 0.000 0.554 64 D N 2.467 122.874 120.400 0.012 0.000 2.424 64 D HA 0.340 4.980 4.640 0.000 0.000 0.244 64 D C -0.392 175.912 176.300 0.008 0.000 1.134 64 D CA 0.299 54.306 54.000 0.011 0.000 0.881 64 D CB 1.465 42.267 40.800 0.004 0.000 1.191 64 D HN 0.272 nan 8.370 nan 0.000 0.445 70 Q N 0.975 120.783 119.800 0.014 0.000 2.466 70 Q HA 0.106 4.446 4.340 0.000 0.000 0.210 70 Q C 0.919 176.936 176.000 0.028 0.000 0.961 70 Q CA 1.181 56.998 55.803 0.023 0.000 0.953 70 Q CB -0.271 28.480 28.738 0.023 0.000 1.011 70 Q HN 0.445 nan 8.270 nan 0.000 0.516 71 A N 0.758 123.591 122.820 0.022 0.000 2.272 71 A HA -0.087 4.233 4.320 0.000 0.000 0.213 71 A C 1.881 179.483 177.584 0.030 0.000 1.183 71 A CA 1.107 53.157 52.037 0.022 0.000 0.719 71 A CB -0.738 18.270 19.000 0.013 0.000 0.771 71 A HN 0.543 nan 8.150 nan 0.000 0.484 72 M N -1.116 118.508 119.600 0.039 0.000 2.476 72 M HA 0.120 4.600 4.480 0.000 0.000 0.262 72 M C 1.360 177.700 176.300 0.068 0.000 1.111 72 M CA 0.837 56.168 55.300 0.052 0.000 1.127 72 M CB -0.150 32.486 32.600 0.060 0.000 1.376 72 M HN 0.413 nan 8.290 nan 0.000 0.465 73 L N 0.393 121.655 121.223 0.065 0.000 2.187 73 L HA -0.222 4.118 4.340 0.000 0.000 0.213 73 L C 1.866 178.777 176.870 0.069 0.000 1.100 73 L CA 1.386 56.269 54.840 0.072 0.000 0.765 73 L CB -0.673 41.422 42.059 0.061 0.000 0.904 73 L HN 0.384 nan 8.230 nan 0.000 0.437 74 E N -0.203 120.033 120.200 0.060 0.000 2.274 74 E HA -0.167 4.183 4.350 0.000 0.000 0.194 74 E C 2.179 178.827 176.600 0.079 0.000 0.996 74 E CA 0.629 57.064 56.400 0.058 0.000 0.840 74 E CB 0.055 29.780 29.700 0.042 0.000 0.772 74 E HN 0.511 nan 8.360 nan 0.000 0.491 75 L N 0.366 121.644 121.223 0.093 0.000 2.168 75 L HA 0.077 4.417 4.340 0.000 0.000 0.203 75 L C 2.375 179.365 176.870 0.200 0.000 1.078 75 L CA 0.682 55.607 54.840 0.141 0.000 0.780 75 L CB -0.133 41.990 42.059 0.107 0.000 0.939 75 L HN 0.102 nan 8.230 nan 0.000 0.451 76 A N 0.260 123.166 122.820 0.143 0.000 1.883 76 A HA -0.241 4.079 4.320 0.000 0.000 0.217 76 A C 2.399 180.037 177.584 0.090 0.000 1.186 76 A CA 1.764 53.871 52.037 0.117 0.000 0.624 76 A CB -1.010 18.048 19.000 0.097 0.000 0.822 76 A HN 0.531 nan 8.150 nan 0.000 0.444 77 A N -0.348 122.524 122.820 0.086 0.000 2.093 77 A HA -0.223 4.097 4.320 0.000 0.000 0.222 77 A C 1.981 179.598 177.584 0.056 0.000 1.162 77 A CA 2.039 54.114 52.037 0.063 0.000 0.655 77 A CB -0.418 18.618 19.000 0.060 0.000 0.805 77 A HN 0.649 nan 8.150 nan 0.000 0.461 78 K N -1.087 119.372 120.400 0.098 0.000 2.352 78 K HA 0.405 4.725 4.320 0.000 0.000 0.194 78 K C 0.721 177.296 176.600 -0.041 0.000 1.038 78 K CA 0.383 56.730 56.287 0.100 0.000 1.023 78 K CB 0.249 32.898 32.500 0.247 0.000 0.840 78 K HN 0.394 nan 8.250 nan 0.000 0.519 79 A N 1.332 124.107 122.820 -0.074 0.000 2.279 79 A HA 0.175 4.495 4.320 0.000 0.000 0.303 79 A C 0.061 177.483 177.584 -0.269 0.000 1.108 79 A CA -0.536 51.269 52.037 -0.387 0.000 0.830 79 A CB 0.535 19.386 19.000 -0.248 0.000 1.106 79 A HN -0.005 nan 8.150 nan 0.000 0.493 80 D N -0.578 119.621 120.400 -0.335 0.000 2.201 80 D HA 0.111 4.751 4.640 0.000 0.000 0.209 80 D C 0.177 176.398 176.300 -0.132 0.000 0.961 80 D CA 1.432 55.311 54.000 -0.201 0.000 0.861 80 D CB 0.233 40.907 40.800 -0.209 0.000 0.997 80 D HN 0.262 nan 8.370 nan 0.000 0.486 81 V N 1.345 121.170 119.914 -0.149 0.000 2.735 81 V HA 0.407 4.527 4.120 0.000 0.000 0.310 81 V C -0.737 175.290 176.094 -0.112 0.000 1.061 81 V CA -1.021 61.217 62.300 -0.104 0.000 0.913 81 V CB 2.726 34.496 31.823 -0.089 0.000 1.005 81 V HN -0.085 nan 8.190 nan 0.000 0.428 82 L N 4.754 125.882 121.223 -0.157 0.000 2.345 82 L HA 0.612 4.952 4.340 0.000 0.000 0.274 82 L C -0.780 175.894 176.870 -0.326 0.000 0.999 82 L CA -0.385 54.308 54.840 -0.245 0.000 0.849 82 L CB 1.300 43.129 42.059 -0.383 0.000 1.220 82 L HN 0.672 nan 8.230 nan 0.000 0.422 83 L N 4.870 125.968 121.223 -0.208 0.000 2.389 83 L HA 0.358 4.698 4.340 0.000 0.000 0.265 83 L C -0.297 176.445 176.870 -0.213 0.000 1.167 83 L CA -0.113 54.618 54.840 -0.181 0.000 1.045 83 L CB -0.078 41.922 42.059 -0.100 0.000 1.351 83 L HN 0.671 nan 8.230 nan 0.000 0.419 84 D N 2.304 122.541 120.400 -0.272 0.000 2.417 84 D HA 0.048 4.688 4.640 0.000 0.000 0.250 84 D C 0.252 176.464 176.300 -0.148 0.000 1.166 84 D CA 0.038 53.931 54.000 -0.178 0.000 0.881 84 D CB 0.850 41.630 40.800 -0.034 0.000 1.164 84 D HN 0.588 nan 8.370 nan 0.000 0.467 85 C N 3.937 123.052 119.300 -0.308 0.000 3.386 85 C HA 0.365 4.825 4.460 0.000 0.000 0.279 85 C C 0.169 175.006 174.990 -0.256 0.000 1.508 85 C CA -0.717 58.141 59.018 -0.268 0.000 1.801 85 C CB -1.732 25.834 27.740 -0.291 0.000 2.798 85 C HN 0.474 nan 8.230 nan 0.000 0.605 86 F N 1.379 121.354 119.950 0.043 0.000 2.368 86 F HA 0.434 4.961 4.527 0.000 0.000 0.315 86 F C 1.254 177.086 175.800 0.053 0.000 1.145 86 F CA -0.808 57.220 58.000 0.048 0.000 1.095 86 F CB 0.499 39.532 39.000 0.056 0.000 1.286 86 F HN -0.123 nan 8.300 nan 0.000 0.530 87 R N 0.783 121.452 120.500 0.282 0.000 2.861 87 R HA 0.102 4.442 4.340 0.000 0.000 0.268 87 R C -2.450 173.953 176.300 0.170 0.000 1.027 87 R CA -1.229 54.978 56.100 0.178 0.000 1.163 87 R CB -0.558 29.830 30.300 0.147 0.000 1.060 87 R HN 0.195 nan 8.270 nan 0.000 0.483 88 P HA 0.057 nan 4.420 nan 0.000 0.271 88 P C 0.698 178.057 177.300 0.098 0.000 1.216 88 P CA 0.803 63.973 63.100 0.118 0.000 0.776 88 P CB 0.687 32.446 31.700 0.098 0.000 0.881 89 G N 2.220 111.074 108.800 0.090 0.000 2.812 89 G HA2 -0.356 3.604 3.960 0.000 0.000 0.219 89 G HA3 -0.356 3.604 3.960 0.000 0.000 0.219 89 G C 1.445 176.379 174.900 0.057 0.000 1.275 89 G CA 0.715 45.851 45.100 0.060 0.000 0.769 89 G HN 0.584 nan 8.290 nan 0.000 0.527 90 T N -1.039 113.549 114.554 0.057 0.000 2.714 90 T HA -0.285 4.065 4.350 0.000 0.000 0.268 90 T C 2.440 177.132 174.700 -0.012 0.000 1.036 90 T CA 2.624 64.723 62.100 -0.002 0.000 1.148 90 T CB -1.165 67.686 68.868 -0.028 0.000 0.856 90 T HN 1.315 nan 8.240 nan 0.000 0.462 91 C N 2.759 122.127 119.300 0.113 0.000 2.446 91 C HA -0.000 4.460 4.460 0.000 0.000 0.277 91 C C 2.811 177.882 174.990 0.136 0.000 1.275 91 C CA 1.161 60.292 59.018 0.189 0.000 1.727 91 C CB -1.118 26.852 27.740 0.385 0.000 2.010 91 C HN 0.771 nan 8.230 nan 0.000 0.486 92 E N -0.083 120.177 120.200 0.100 0.000 2.489 92 E HA -0.072 4.278 4.350 0.000 0.000 0.193 92 E C 1.961 178.575 176.600 0.024 0.000 1.057 92 E CA 0.070 56.502 56.400 0.054 0.000 0.866 92 E CB -0.487 29.222 29.700 0.014 0.000 0.916 92 E HN 0.624 nan 8.360 nan 0.000 0.500 93 R N 0.547 121.055 120.500 0.013 0.000 2.193 93 R HA 0.150 4.490 4.340 0.000 0.000 0.213 93 R C 1.052 177.345 176.300 -0.011 0.000 1.055 93 R CA 0.240 56.338 56.100 -0.004 0.000 0.995 93 R CB 0.179 30.469 30.300 -0.017 0.000 0.893 93 R HN 0.121 nan 8.270 nan 0.000 0.459 94 L N -2.542 118.674 121.223 -0.010 0.000 2.635 94 L HA 0.303 4.643 4.340 0.000 0.000 0.250 94 L C 1.924 178.805 176.870 0.017 0.000 1.117 94 L CA -0.229 54.605 54.840 -0.011 0.000 0.834 94 L CB 0.236 42.276 42.059 -0.032 0.000 1.544 94 L HN 0.065 nan 8.230 nan 0.000 0.511 95 G N 0.447 109.261 108.800 0.022 0.000 2.446 95 G HA2 -0.113 3.847 3.960 0.000 0.000 0.217 95 G HA3 -0.113 3.847 3.960 0.000 0.000 0.217 95 G C 0.773 175.709 174.900 0.060 0.000 1.168 95 G CA 0.475 45.596 45.100 0.035 0.000 0.771 95 G HN 0.520 nan 8.290 nan 0.000 0.551 96 I N -1.151 119.472 120.570 0.087 0.000 3.112 96 I HA 0.561 4.731 4.170 0.000 0.000 0.284 96 I C 0.526 176.748 176.117 0.174 0.000 1.227 96 I CA -0.005 61.383 61.300 0.147 0.000 1.369 96 I CB 0.458 38.565 38.000 0.178 0.000 1.376 96 I HN 0.361 nan 8.210 nan 0.000 0.608 97 G N 2.683 111.638 108.800 0.259 0.000 2.358 97 G HA2 0.239 4.199 3.960 0.000 0.000 0.303 97 G HA3 0.239 4.199 3.960 0.000 0.000 0.303 97 G C -2.754 172.092 174.900 -0.090 0.000 1.537 97 G CA -0.643 44.529 45.100 0.119 0.000 0.928 97 G HN 0.364 nan 8.290 nan 0.000 0.656 98 P HA -0.108 nan 4.420 nan 0.000 0.216 98 P C 1.238 178.405 177.300 -0.221 0.000 1.157 98 P CA 1.778 64.455 63.100 -0.704 0.000 0.880 98 P CB 0.216 31.480 31.700 -0.726 0.000 0.791 99 D N -0.614 119.694 120.400 -0.153 0.000 2.077 99 D HA -0.154 4.486 4.640 0.000 0.000 0.193 99 D C 1.600 177.888 176.300 -0.020 0.000 0.989 99 D CA 1.199 55.157 54.000 -0.069 0.000 0.831 99 D CB -0.958 39.809 40.800 -0.055 0.000 0.979 99 D HN 0.207 nan 8.370 nan 0.000 0.449 100 D N 0.725 121.125 120.400 0.000 0.000 2.116 100 D HA -0.150 4.490 4.640 0.000 0.000 0.193 100 D C 2.338 178.670 176.300 0.054 0.000 0.998 100 D CA 0.832 54.850 54.000 0.031 0.000 0.836 100 D CB -0.593 40.235 40.800 0.046 0.000 0.951 100 D HN 0.232 nan 8.370 nan 0.000 0.449 101 C N 1.334 120.688 119.300 0.091 0.000 2.425 101 C HA -0.037 4.423 4.460 0.000 0.000 0.277 101 C C 3.031 178.071 174.990 0.084 0.000 1.280 101 C CA 0.536 59.628 59.018 0.122 0.000 1.744 101 C CB -1.052 26.829 27.740 0.235 0.000 1.989 101 C HN 0.388 nan 8.230 nan 0.000 0.491 102 A N 0.828 123.682 122.820 0.057 0.000 1.892 102 A HA -0.205 4.115 4.320 0.000 0.000 0.218 102 A C 2.251 179.852 177.584 0.028 0.000 1.188 102 A CA 2.509 54.567 52.037 0.034 0.000 0.631 102 A CB -0.867 18.137 19.000 0.006 0.000 0.822 102 A HN 0.583 nan 8.150 nan 0.000 0.447 103 S N -0.475 115.239 115.700 0.024 0.000 2.359 103 S HA -0.176 4.294 4.470 0.000 0.000 0.224 103 S C 2.017 176.632 174.600 0.025 0.000 1.035 103 S CA 1.835 60.047 58.200 0.020 0.000 1.018 103 S CB -0.884 62.326 63.200 0.018 0.000 0.876 103 S HN 0.962 nan 8.310 nan 0.000 0.448 104 V N -0.235 119.700 119.914 0.035 0.000 2.719 104 V HA 0.174 4.294 4.120 0.000 0.000 0.252 104 V C 0.594 176.709 176.094 0.035 0.000 1.065 104 V CA 1.071 63.394 62.300 0.037 0.000 1.086 104 V CB -0.649 31.203 31.823 0.048 0.000 0.700 104 V HN 0.512 nan 8.190 nan 0.000 0.467 105 N N 0.753 119.476 118.700 0.038 0.000 2.699 105 N HA 0.295 5.035 4.740 0.000 0.000 0.271 105 N C -2.612 172.916 175.510 0.030 0.000 1.216 105 N CA -0.738 52.330 53.050 0.030 0.000 0.844 105 N CB 2.226 40.731 38.487 0.030 0.000 1.462 105 N HN 0.055 nan 8.380 nan 0.000 0.555 106 P HA 0.013 nan 4.420 nan 0.000 0.245 106 P C 0.501 177.808 177.300 0.011 0.000 1.212 106 P CA 0.293 63.402 63.100 0.016 0.000 0.774 106 P CB 0.324 32.029 31.700 0.008 0.000 0.999 107 R N -0.737 119.766 120.500 0.004 0.000 2.300 107 R HA 0.172 4.512 4.340 0.000 0.000 0.199 107 R C 0.897 177.193 176.300 -0.007 0.000 0.920 107 R CA -0.528 55.566 56.100 -0.009 0.000 1.046 107 R CB -0.768 29.517 30.300 -0.025 0.000 0.984 107 R HN 0.239 nan 8.270 nan 0.000 0.493 108 L N 2.067 123.299 121.223 0.014 0.000 2.456 108 L HA 0.106 4.446 4.340 0.000 0.000 0.272 108 L C -0.130 176.772 176.870 0.054 0.000 1.189 108 L CA 0.345 55.201 54.840 0.028 0.000 0.846 108 L CB 0.432 42.531 42.059 0.067 0.000 1.111 108 L HN -0.083 nan 8.230 nan 0.000 0.475 109 I N 6.347 126.937 120.570 0.034 0.000 2.337 109 I HA 0.110 4.280 4.170 0.000 0.000 0.285 109 I C -0.366 175.800 176.117 0.082 0.000 1.041 109 I CA -0.126 61.207 61.300 0.055 0.000 1.199 109 I CB 0.074 38.081 38.000 0.012 0.000 1.370 109 I HN 0.543 nan 8.210 nan 0.000 0.470 110 F N 5.920 125.873 119.950 0.006 0.000 2.515 110 F HA 0.500 5.028 4.527 0.000 0.000 0.353 110 F C 0.906 176.714 175.800 0.015 0.000 1.213 110 F CA -0.463 57.545 58.000 0.015 0.000 1.194 110 F CB 0.403 39.415 39.000 0.020 0.000 1.488 110 F HN 0.567 nan 8.300 nan 0.000 0.619 111 A N 6.213 129.047 122.820 0.025 0.000 2.340 111 A HA 0.732 5.052 4.320 0.000 0.000 0.268 111 A C -0.298 177.313 177.584 0.045 0.000 1.100 111 A CA -0.560 51.505 52.037 0.047 0.000 0.803 111 A CB 0.548 19.539 19.000 -0.014 0.000 1.043 111 A HN 0.790 nan 8.150 nan 0.000 0.488 112 R N 1.549 122.105 120.500 0.093 0.000 2.531 112 R HA 0.408 4.748 4.340 0.000 0.000 0.293 112 R C -1.922 174.402 176.300 0.040 0.000 1.124 112 R CA -0.510 55.645 56.100 0.093 0.000 0.945 112 R CB 1.182 31.599 30.300 0.196 0.000 1.195 112 R HN 0.561 nan 8.270 nan 0.000 0.433 113 I N 1.672 122.243 120.570 0.002 0.000 2.331 113 I HA 0.439 4.609 4.170 0.000 0.000 0.292 113 I C 0.131 176.215 176.117 -0.054 0.000 0.998 113 I CA -0.097 61.188 61.300 -0.025 0.000 1.267 113 I CB 1.828 39.815 38.000 -0.023 0.000 1.386 113 I HN 0.468 nan 8.210 nan 0.000 0.476 114 T N 3.031 117.522 114.554 -0.105 0.000 2.900 114 T HA 0.430 4.780 4.350 0.000 0.000 0.303 114 T C 0.957 175.404 174.700 -0.421 0.000 1.142 114 T CA -0.447 61.547 62.100 -0.177 0.000 1.007 114 T CB 1.857 70.678 68.868 -0.078 0.000 1.156 114 T HN 0.734 nan 8.240 nan 0.000 0.490 115 G N -0.424 107.903 108.800 -0.788 0.000 2.396 115 G HA2 -0.037 3.923 3.960 0.000 0.000 0.214 115 G HA3 -0.037 3.923 3.960 0.000 0.000 0.214 115 G C 0.702 174.869 174.900 -1.222 0.000 1.166 115 G CA 0.139 44.070 45.100 -1.949 0.000 0.793 115 G HN 0.828 nan 8.290 nan 0.000 0.533 116 W N 0.299 121.377 121.300 -0.369 0.000 3.107 116 W HA 0.454 5.114 4.660 0.000 0.000 0.293 116 W C 1.390 177.848 176.519 -0.101 0.000 1.239 116 W CA -0.072 57.181 57.345 -0.153 0.000 1.653 116 W CB 0.622 30.059 29.460 -0.038 0.000 1.068 116 W HN 0.499 nan 8.180 nan 0.000 0.615 117 G N 0.873 109.719 108.800 0.077 0.000 2.698 117 G HA2 -0.257 3.703 3.960 0.000 0.000 0.225 117 G HA3 -0.257 3.703 3.960 0.000 0.000 0.225 117 G C 0.403 175.353 174.900 0.083 0.000 1.345 117 G CA -0.072 45.063 45.100 0.058 0.000 0.871 117 G HN 0.011 nan 8.290 nan 0.000 0.540 118 Q N 0.107 119.945 119.800 0.062 0.000 2.061 118 Q HA 0.117 4.457 4.340 0.000 0.000 0.195 118 Q C 0.906 176.936 176.000 0.050 0.000 0.967 118 Q CA 1.625 57.463 55.803 0.059 0.000 0.829 118 Q CB -0.184 28.580 28.738 0.043 0.000 0.900 118 Q HN 0.695 nan 8.270 nan 0.000 0.450 119 D N -0.363 120.059 120.400 0.036 0.000 2.423 119 D HA 0.510 5.150 4.640 0.000 0.000 0.255 119 D C 0.358 176.672 176.300 0.022 0.000 1.174 119 D CA 0.663 54.676 54.000 0.022 0.000 1.008 119 D CB 0.682 41.488 40.800 0.010 0.000 1.101 119 D HN 0.260 nan 8.370 nan 0.000 0.516 120 G N 0.015 108.816 108.800 0.001 0.000 2.629 120 G HA2 -0.091 3.869 3.960 0.000 0.000 0.686 120 G HA3 -0.091 3.869 3.960 0.000 0.000 0.686 120 G C -1.922 172.954 174.900 -0.041 0.000 1.232 120 G CA -0.394 44.695 45.100 -0.018 0.000 0.803 120 G HN 0.345 nan 8.290 nan 0.000 0.638 121 P HA -0.038 nan 4.420 nan 0.000 0.215 121 P C 2.184 179.399 177.300 -0.141 0.000 1.157 121 P CA 1.156 64.201 63.100 -0.092 0.000 0.859 121 P CB 0.110 31.750 31.700 -0.100 0.000 0.786 122 L N -0.553 120.516 121.223 -0.257 0.000 2.362 122 L HA -0.081 4.259 4.340 0.000 0.000 0.219 122 L C 2.731 179.426 176.870 -0.293 0.000 1.134 122 L CA 0.822 55.375 54.840 -0.478 0.000 0.807 122 L CB -1.036 40.395 42.059 -1.046 0.000 0.927 122 L HN -0.054 nan 8.230 nan 0.000 0.447 123 A N 0.615 123.398 122.820 -0.061 0.000 1.971 123 A HA -0.315 4.005 4.320 0.000 0.000 0.222 123 A C 2.526 180.198 177.584 0.147 0.000 1.182 123 A CA 2.530 54.635 52.037 0.115 0.000 0.649 123 A CB -0.632 18.412 19.000 0.073 0.000 0.818 123 A HN 0.578 nan 8.150 nan 0.000 0.458 124 S N -1.847 113.898 115.700 0.074 0.000 2.406 124 S HA 0.025 4.495 4.470 0.000 0.000 0.224 124 S C 1.075 175.751 174.600 0.126 0.000 1.030 124 S CA 0.801 59.053 58.200 0.087 0.000 0.958 124 S CB -0.951 62.274 63.200 0.042 0.000 0.811 124 S HN 0.380 nan 8.310 nan 0.000 0.489 125 T N 3.087 117.699 114.554 0.096 0.000 2.939 125 T HA 0.446 4.796 4.350 0.000 0.000 0.319 125 T C 0.280 175.191 174.700 0.350 0.000 1.082 125 T CA 0.554 62.743 62.100 0.148 0.000 1.133 125 T CB 0.387 69.258 68.868 0.006 0.000 1.019 125 T HN 0.616 nan 8.240 nan 0.000 0.548 126 A N 1.796 124.783 122.820 0.278 0.000 2.293 126 A HA 0.854 5.174 4.320 0.000 0.000 0.302 126 A C 0.568 178.329 177.584 0.296 0.000 1.119 126 A CA 0.044 52.229 52.037 0.247 0.000 0.823 126 A CB 0.927 20.012 19.000 0.142 0.000 1.097 126 A HN 1.152 nan 8.150 nan 0.000 0.491 127 G N -0.483 108.390 108.800 0.122 0.000 2.451 127 G HA2 0.543 4.503 3.960 0.000 0.000 0.292 127 G HA3 0.543 4.503 3.960 0.000 0.000 0.292 127 G C -1.527 173.073 174.900 -0.501 0.000 1.427 127 G CA -0.643 44.437 45.100 -0.034 0.000 0.792 127 G HN 0.926 nan 8.290 nan 0.000 0.498 128 H N -1.215 117.483 119.070 -0.620 0.000 2.906 128 H HA 0.448 5.004 4.556 0.000 0.000 0.337 128 H C 1.018 175.706 175.328 -1.067 0.000 1.257 128 H CA -0.062 55.581 56.048 -0.674 0.000 1.192 128 H CB 2.096 31.674 29.762 -0.308 0.000 1.912 128 H HN 0.509 nan 8.280 nan 0.000 0.573 129 D N 0.590 120.738 120.400 -0.421 0.000 2.160 129 D HA -0.215 4.425 4.640 0.000 0.000 0.189 129 D C 2.034 178.178 176.300 -0.261 0.000 1.003 129 D CA 1.967 55.788 54.000 -0.299 0.000 0.846 129 D CB 0.113 40.811 40.800 -0.171 0.000 0.949 129 D HN 0.502 nan 8.370 nan 0.000 0.446 130 I N 0.686 121.152 120.570 -0.174 0.000 2.248 130 I HA -0.326 3.844 4.170 0.000 0.000 0.248 130 I C 1.993 178.050 176.117 -0.100 0.000 1.107 130 I CA 1.272 62.517 61.300 -0.092 0.000 1.373 130 I CB -0.160 37.803 38.000 -0.061 0.000 1.055 130 I HN 0.074 nan 8.210 nan 0.000 0.418 131 N N 0.227 118.798 118.700 -0.214 0.000 2.080 131 N HA -0.211 4.529 4.740 0.000 0.000 0.189 131 N C 1.780 177.287 175.510 -0.004 0.000 1.036 131 N CA 1.624 54.614 53.050 -0.101 0.000 0.846 131 N CB -0.650 37.779 38.487 -0.096 0.000 1.015 131 N HN 0.401 nan 8.380 nan 0.000 0.423 132 Y N 1.565 121.765 120.300 -0.166 0.000 2.256 132 Y HA -0.029 4.521 4.550 0.000 0.000 0.288 132 Y C 2.403 178.306 175.900 0.006 0.000 1.155 132 Y CA 0.316 58.262 58.100 -0.256 0.000 1.203 132 Y CB -1.050 37.147 38.460 -0.439 0.000 0.980 132 Y HN 0.020 nan 8.280 nan 0.000 0.530 133 L N -0.237 121.055 121.223 0.115 0.000 2.291 133 L HA -0.149 4.192 4.340 0.000 0.000 0.214 133 L C 2.447 179.363 176.870 0.076 0.000 1.120 133 L CA 1.334 56.231 54.840 0.096 0.000 0.799 133 L CB -0.611 41.506 42.059 0.097 0.000 0.925 133 L HN 0.325 nan 8.230 nan 0.000 0.446 134 S N -1.205 114.558 115.700 0.105 0.000 2.428 134 S HA -0.138 4.332 4.470 0.000 0.000 0.230 134 S C 1.877 176.542 174.600 0.109 0.000 1.014 134 S CA 0.409 58.661 58.200 0.087 0.000 0.957 134 S CB -0.062 63.196 63.200 0.097 0.000 0.784 134 S HN 0.370 nan 8.310 nan 0.000 0.499 135 Q N 1.590 121.510 119.800 0.199 0.000 2.163 135 Q HA 0.014 4.354 4.340 0.000 0.000 0.198 135 Q C 2.492 178.586 176.000 0.158 0.000 0.954 135 Q CA 1.861 57.783 55.803 0.198 0.000 0.851 135 Q CB -1.263 27.674 28.738 0.331 0.000 0.928 135 Q HN 0.900 nan 8.270 nan 0.000 0.459 136 T N -2.999 111.647 114.554 0.153 0.000 3.035 136 T HA 0.141 4.491 4.350 0.000 0.000 0.268 136 T C 1.472 176.202 174.700 0.049 0.000 1.109 136 T CA 1.111 63.295 62.100 0.140 0.000 1.119 136 T CB 0.031 68.974 68.868 0.125 0.000 0.900 136 T HN 0.421 nan 8.240 nan 0.000 0.503 137 G N 0.590 109.373 108.800 -0.029 0.000 2.199 137 G HA2 -0.223 3.737 3.960 0.000 0.000 0.254 137 G HA3 -0.223 3.737 3.960 0.000 0.000 0.254 137 G C 1.190 175.915 174.900 -0.290 0.000 0.982 137 G CA 0.360 45.374 45.100 -0.144 0.000 0.632 137 G HN 1.084 nan 8.290 nan 0.000 0.529 138 A N -0.219 122.419 122.820 -0.303 0.000 1.930 138 A HA 0.366 4.686 4.320 0.000 0.000 0.217 138 A C 2.336 179.358 177.584 -0.938 0.000 1.175 138 A CA 2.175 53.883 52.037 -0.548 0.000 0.627 138 A CB -0.253 18.544 19.000 -0.338 0.000 0.815 138 A HN 1.318 nan 8.150 nan 0.000 0.443 139 L N -0.018 120.912 121.223 -0.488 0.000 2.046 139 L HA -0.015 4.325 4.340 0.000 0.000 0.208 139 L C 2.415 179.114 176.870 -0.284 0.000 1.077 139 L CA 2.208 56.859 54.840 -0.314 0.000 0.747 139 L CB -0.706 41.339 42.059 -0.024 0.000 0.896 139 L HN 0.294 nan 8.230 nan 0.000 0.432 140 A N -0.972 121.704 122.820 -0.240 0.000 2.248 140 A HA 0.252 4.572 4.320 0.000 0.000 0.210 140 A C 1.956 179.419 177.584 -0.201 0.000 1.174 140 A CA 1.035 52.975 52.037 -0.162 0.000 0.750 140 A CB -0.907 18.017 19.000 -0.128 0.000 0.780 140 A HN 0.551 nan 8.150 nan 0.000 0.478 141 A N -1.280 121.323 122.820 -0.362 0.000 2.503 141 A HA 0.592 4.912 4.320 0.000 0.000 0.263 141 A C 0.145 177.657 177.584 -0.119 0.000 1.258 141 A CA -0.434 51.427 52.037 -0.293 0.000 0.936 141 A CB -0.014 18.746 19.000 -0.399 0.000 1.070 141 A HN 0.363 nan 8.150 nan 0.000 0.522 142 F N -0.277 119.627 119.950 -0.077 0.000 2.470 142 F HA 0.548 5.075 4.527 0.000 0.000 0.329 142 F C 1.219 176.958 175.800 -0.102 0.000 1.072 142 F CA -0.095 57.852 58.000 -0.088 0.000 0.989 142 F CB 1.563 40.520 39.000 -0.072 0.000 1.193 142 F HN 0.423 nan 8.300 nan 0.000 0.481 143 G N 1.073 109.894 108.800 0.035 0.000 2.725 143 G HA2 -0.267 3.693 3.960 0.000 0.000 0.220 143 G HA3 -0.267 3.693 3.960 0.000 0.000 0.220 143 G C -1.458 173.325 174.900 -0.195 0.000 1.357 143 G CA -1.026 43.998 45.100 -0.126 0.000 0.866 143 G HN 0.589 nan 8.290 nan 0.000 0.548 144 Y N 0.552 120.842 120.300 -0.017 0.000 2.326 144 Y HA 0.436 4.986 4.550 0.000 0.000 0.333 144 Y C 1.952 177.843 175.900 -0.015 0.000 1.240 144 Y CA 0.625 58.708 58.100 -0.029 0.000 1.365 144 Y CB 1.030 39.466 38.460 -0.039 0.000 1.289 144 Y HN 0.912 nan 8.280 nan 0.000 0.548 145 A N 1.407 124.316 122.820 0.148 0.000 1.892 145 A HA -0.245 4.075 4.320 0.000 0.000 0.218 145 A C 1.865 179.489 177.584 0.068 0.000 1.188 145 A CA 2.178 54.261 52.037 0.077 0.000 0.631 145 A CB -0.758 18.275 19.000 0.055 0.000 0.822 145 A HN 0.924 nan 8.150 nan 0.000 0.447 146 D N 0.148 120.591 120.400 0.072 0.000 2.077 146 D HA -0.106 4.534 4.640 0.000 0.000 0.196 146 D C 0.592 176.919 176.300 0.045 0.000 0.986 146 D CA 0.515 54.541 54.000 0.043 0.000 0.829 146 D CB -0.630 40.183 40.800 0.021 0.000 0.983 146 D HN 0.254 nan 8.370 nan 0.000 0.453 147 R N 1.851 122.388 120.500 0.062 0.000 2.641 147 R HA 0.322 4.662 4.340 0.000 0.000 0.269 147 R C -2.044 174.295 176.300 0.065 0.000 1.074 147 R CA -1.484 54.651 56.100 0.058 0.000 1.133 147 R CB -0.822 29.521 30.300 0.071 0.000 1.029 147 R HN 0.129 nan 8.270 nan 0.000 0.488 148 P HA 0.136 nan 4.420 nan 0.000 0.272 148 P C -2.281 175.052 177.300 0.056 0.000 1.254 148 P CA -0.970 62.156 63.100 0.043 0.000 0.795 148 P CB -0.295 31.424 31.700 0.032 0.000 1.022 149 P HA 0.246 nan 4.420 nan 0.000 0.271 149 P C -0.731 176.612 177.300 0.071 0.000 1.216 149 P CA 0.326 63.472 63.100 0.078 0.000 0.771 149 P CB 0.272 32.019 31.700 0.078 0.000 0.864 150 M N 5.568 125.208 119.600 0.067 0.000 2.243 150 M HA 0.426 4.906 4.480 0.000 0.000 0.324 150 M C -2.484 173.818 176.300 0.004 0.000 1.031 150 M CA -2.461 52.855 55.300 0.027 0.000 0.949 150 M CB 1.885 34.489 32.600 0.006 0.000 1.615 150 M HN 0.165 nan 8.290 nan 0.000 0.430 151 P HA 0.261 nan 4.420 nan 0.000 0.271 151 P C -2.685 174.557 177.300 -0.096 0.000 1.216 151 P CA -1.064 62.026 63.100 -0.017 0.000 0.771 151 P CB -0.134 31.564 31.700 -0.003 0.000 0.864 152 P HA 0.166 nan 4.420 nan 0.000 0.235 152 P C 0.667 177.923 177.300 -0.074 0.000 1.765 152 P CA 0.011 63.005 63.100 -0.178 0.000 1.034 152 P CB -0.384 31.145 31.700 -0.284 0.000 1.984 153 L N -0.739 120.459 121.223 -0.042 0.000 6.706 153 L HA -0.343 3.997 4.340 0.000 0.000 0.053 153 L C 0.908 177.745 176.870 -0.054 0.000 1.950 153 L CA 1.715 56.547 54.840 -0.014 0.000 1.620 153 L CB -1.031 41.057 42.059 0.049 0.000 2.781 153 L HN 0.427 nan 8.230 nan 0.000 1.068 154 N N -0.148 118.506 118.700 -0.075 0.000 2.517 154 N HA 0.251 4.991 4.740 0.000 0.000 0.285 154 N C 0.483 175.819 175.510 -0.290 0.000 1.528 154 N CA -0.178 52.754 53.050 -0.197 0.000 0.892 154 N CB 0.189 38.513 38.487 -0.271 0.000 1.356 154 N HN 0.618 nan 8.380 nan 0.000 0.495 155 L N -0.472 120.703 121.223 -0.079 0.000 2.179 155 L HA 0.069 4.409 4.340 0.000 0.000 0.208 155 L C 1.926 178.803 176.870 0.012 0.000 1.096 155 L CA 0.595 55.458 54.840 0.038 0.000 0.779 155 L CB -0.136 41.987 42.059 0.106 0.000 0.922 155 L HN -0.009 nan 8.230 nan 0.000 0.443 156 V N 0.295 120.207 119.914 -0.004 0.000 2.270 156 V HA -0.212 3.908 4.120 0.000 0.000 0.245 156 V C 2.622 178.734 176.094 0.031 0.000 1.043 156 V CA 2.025 64.353 62.300 0.046 0.000 1.014 156 V CB -0.680 31.210 31.823 0.112 0.000 0.645 156 V HN 0.445 nan 8.190 nan 0.000 0.447 157 A N -0.562 122.254 122.820 -0.007 0.000 1.862 157 A HA -0.097 4.223 4.320 0.000 0.000 0.211 157 A C 2.001 179.544 177.584 -0.069 0.000 1.220 157 A CA 1.242 53.282 52.037 0.005 0.000 0.616 157 A CB -0.641 18.410 19.000 0.085 0.000 0.878 157 A HN 0.470 nan 8.150 nan 0.000 0.453 158 D N -0.671 119.594 120.400 -0.225 0.000 2.104 158 D HA -0.126 4.514 4.640 0.000 0.000 0.194 158 D C 1.467 177.566 176.300 -0.335 0.000 0.994 158 D CA 1.579 55.330 54.000 -0.415 0.000 0.830 158 D CB -0.220 40.056 40.800 -0.872 0.000 0.959 158 D HN 0.458 nan 8.370 nan 0.000 0.452 159 F N -0.511 119.416 119.950 -0.039 0.000 2.480 159 F HA 0.302 4.829 4.527 0.000 0.000 0.280 159 F C 2.545 178.359 175.800 0.024 0.000 1.002 159 F CA 0.284 58.252 58.000 -0.054 0.000 1.325 159 F CB -1.141 37.707 39.000 -0.253 0.000 1.134 159 F HN -0.085 nan 8.300 nan 0.000 0.646 160 G N -0.317 108.598 108.800 0.193 0.000 2.450 160 G HA2 -0.004 3.956 3.960 0.000 0.000 0.220 160 G HA3 -0.004 3.956 3.960 0.000 0.000 0.220 160 G C 1.649 176.614 174.900 0.108 0.000 1.130 160 G CA 1.064 46.249 45.100 0.141 0.000 0.760 160 G HN 0.549 nan 8.290 nan 0.000 0.557 161 G N -1.190 107.658 108.800 0.080 0.000 3.695 161 G HA2 0.470 4.430 3.960 0.000 0.000 0.277 161 G HA3 0.470 4.430 3.960 0.000 0.000 0.277 161 G C 0.781 175.701 174.900 0.034 0.000 1.001 161 G CA 0.991 46.126 45.100 0.059 0.000 0.837 161 G HN 0.585 nan 8.290 nan 0.000 0.492 162 G N 0.206 109.036 108.800 0.050 0.000 2.535 162 G HA2 0.145 4.106 3.960 0.000 0.000 0.200 162 G HA3 0.145 4.106 3.960 0.000 0.000 0.200 162 G C 1.621 176.578 174.900 0.096 0.000 1.388 162 G CA 1.304 46.422 45.100 0.030 0.000 0.720 162 G HN 0.243 nan 8.290 nan 0.000 0.598 163 S N 0.285 116.105 115.700 0.200 0.000 2.359 163 S HA -0.180 4.290 4.470 0.000 0.000 0.222 163 S C 2.562 177.271 174.600 0.180 0.000 1.038 163 S CA 2.211 60.575 58.200 0.273 0.000 1.051 163 S CB -0.338 63.222 63.200 0.601 0.000 0.944 163 S HN 0.131 nan 8.310 nan 0.000 0.433 164 M N 0.547 120.257 119.600 0.183 0.000 2.202 164 M HA -0.026 4.454 4.480 0.000 0.000 0.262 164 M C 2.197 178.547 176.300 0.082 0.000 1.063 164 M CA 1.008 56.381 55.300 0.122 0.000 1.097 164 M CB -1.653 31.021 32.600 0.123 0.000 1.382 164 M HN 0.423 nan 8.290 nan 0.000 0.413 165 L N -0.116 121.151 121.223 0.074 0.000 1.994 165 L HA -0.086 4.254 4.340 0.000 0.000 0.208 165 L C 2.401 179.297 176.870 0.043 0.000 1.071 165 L CA 1.436 56.306 54.840 0.050 0.000 0.745 165 L CB -0.909 41.172 42.059 0.036 0.000 0.892 165 L HN 0.084 nan 8.230 nan 0.000 0.431 166 V N -0.831 119.109 119.914 0.043 0.000 2.515 166 V HA -0.224 3.896 4.120 0.000 0.000 0.250 166 V C 2.447 178.561 176.094 0.032 0.000 1.058 166 V CA 1.632 63.952 62.300 0.034 0.000 1.064 166 V CB -0.126 31.713 31.823 0.027 0.000 0.675 166 V HN 0.473 nan 8.190 nan 0.000 0.461 167 L N -1.009 120.238 121.223 0.040 0.000 2.017 167 L HA -0.166 4.174 4.340 0.000 0.000 0.208 167 L C 2.398 179.289 176.870 0.034 0.000 1.073 167 L CA 1.721 56.580 54.840 0.031 0.000 0.745 167 L CB -0.580 41.500 42.059 0.035 0.000 0.894 167 L HN 0.382 nan 8.230 nan 0.000 0.432 168 L N 0.093 121.341 121.223 0.040 0.000 1.970 168 L HA -0.115 4.225 4.340 0.000 0.000 0.212 168 L C 2.416 179.307 176.870 0.034 0.000 1.071 168 L CA 2.273 57.136 54.840 0.037 0.000 0.751 168 L CB -1.255 40.825 42.059 0.037 0.000 0.889 168 L HN 0.184 nan 8.230 nan 0.000 0.432 169 G N -0.196 108.625 108.800 0.034 0.000 2.505 169 G HA2 -0.313 3.647 3.960 0.000 0.000 0.220 169 G HA3 -0.313 3.647 3.960 0.000 0.000 0.220 169 G C 1.611 176.534 174.900 0.037 0.000 1.145 169 G CA 1.513 46.635 45.100 0.036 0.000 0.761 169 G HN 0.497 nan 8.290 nan 0.000 0.571 170 I N 0.153 120.742 120.570 0.031 0.000 2.094 170 I HA -0.157 4.013 4.170 0.000 0.000 0.234 170 I C 2.776 178.911 176.117 0.031 0.000 1.063 170 I CA 0.794 62.108 61.300 0.024 0.000 1.328 170 I CB -0.535 37.469 38.000 0.008 0.000 1.058 170 I HN 0.019 nan 8.210 nan 0.000 0.400 171 V N 0.625 120.558 119.914 0.032 0.000 2.660 171 V HA -0.226 3.894 4.120 0.000 0.000 0.257 171 V C 2.227 178.365 176.094 0.073 0.000 1.088 171 V CA 1.253 63.580 62.300 0.045 0.000 1.106 171 V CB -0.586 31.264 31.823 0.045 0.000 0.686 171 V HN 0.272 nan 8.190 nan 0.000 0.481 172 V N -0.045 119.907 119.914 0.063 0.000 2.331 172 V HA -0.075 4.045 4.120 0.000 0.000 0.242 172 V C 2.641 178.796 176.094 0.103 0.000 1.034 172 V CA 1.621 63.968 62.300 0.078 0.000 1.027 172 V CB -0.830 31.020 31.823 0.045 0.000 0.667 172 V HN 0.527 nan 8.190 nan 0.000 0.457 173 A N -0.442 122.420 122.820 0.070 0.000 2.076 173 A HA -0.174 4.146 4.320 0.000 0.000 0.220 173 A C 2.078 179.696 177.584 0.056 0.000 1.160 173 A CA 1.653 53.726 52.037 0.061 0.000 0.653 173 A CB -0.462 18.567 19.000 0.049 0.000 0.801 173 A HN 0.418 nan 8.150 nan 0.000 0.455 174 L N -2.389 118.870 121.223 0.060 0.000 2.023 174 L HA -0.058 4.282 4.340 0.000 0.000 0.205 174 L C 2.329 179.231 176.870 0.053 0.000 1.073 174 L CA 1.957 56.820 54.840 0.038 0.000 0.745 174 L CB -1.151 40.926 42.059 0.030 0.000 0.900 174 L HN 0.559 nan 8.230 nan 0.000 0.435 175 Y N 0.504 120.799 120.300 -0.008 0.000 2.256 175 Y HA -0.316 4.234 4.550 0.000 0.000 0.288 175 Y C 2.536 178.435 175.900 -0.003 0.000 1.155 175 Y CA 1.918 60.015 58.100 -0.005 0.000 1.203 175 Y CB 0.060 38.522 38.460 0.003 0.000 0.980 175 Y HN 0.377 nan 8.280 nan 0.000 0.530 176 E N 0.904 121.189 120.200 0.141 0.000 1.998 176 E HA -0.256 4.094 4.350 0.000 0.000 0.196 176 E C 2.406 178.991 176.600 -0.026 0.000 1.003 176 E CA 1.889 58.333 56.400 0.073 0.000 0.829 176 E CB -0.696 29.053 29.700 0.082 0.000 0.777 176 E HN 0.278 nan 8.360 nan 0.000 0.460 177 R N 0.681 121.172 120.500 -0.016 0.000 2.139 177 R HA -0.167 4.173 4.340 0.000 0.000 0.243 177 R C 1.320 177.575 176.300 -0.075 0.000 1.145 177 R CA 1.601 57.680 56.100 -0.035 0.000 0.976 177 R CB -0.516 29.772 30.300 -0.020 0.000 0.866 177 R HN 0.271 nan 8.270 nan 0.000 0.449 178 E N 0.685 120.815 120.200 -0.117 0.000 2.520 178 E HA -0.087 4.263 4.350 0.000 0.000 0.201 178 E C 0.682 177.159 176.600 -0.204 0.000 1.122 178 E CA 0.409 56.711 56.400 -0.163 0.000 0.896 178 E CB 0.120 29.697 29.700 -0.206 0.000 0.891 178 E HN 0.431 nan 8.360 nan 0.000 0.533 179 R N -2.167 118.234 120.500 -0.165 0.000 2.851 179 R HA 0.040 4.380 4.340 0.000 0.000 0.177 179 R C 1.869 178.122 176.300 -0.078 0.000 0.888 179 R CA 0.735 56.750 56.100 -0.142 0.000 1.326 179 R CB -0.015 30.176 30.300 -0.181 0.000 1.668 179 R HN 0.021 nan 8.270 nan 0.000 0.575 180 S N 0.104 115.768 115.700 -0.060 0.000 2.575 180 S HA 0.139 4.609 4.470 0.000 0.000 0.215 180 S C 1.467 176.049 174.600 -0.031 0.000 0.966 180 S CA 0.467 58.647 58.200 -0.033 0.000 0.911 180 S CB 0.758 63.949 63.200 -0.016 0.000 0.780 180 S HN 0.487 nan 8.310 nan 0.000 0.514 181 G N 0.569 109.344 108.800 -0.042 0.000 2.244 181 G HA2 -0.242 3.718 3.960 0.000 0.000 0.274 181 G HA3 -0.242 3.718 3.960 0.000 0.000 0.274 181 G C 0.028 174.913 174.900 -0.024 0.000 1.002 181 G CA 0.623 45.701 45.100 -0.036 0.000 0.740 181 G HN 0.936 nan 8.290 nan 0.000 0.516 182 V N -0.476 119.427 119.914 -0.018 0.000 2.668 182 V HA 0.753 4.873 4.120 0.000 0.000 0.304 182 V C 0.877 176.970 176.094 -0.000 0.000 1.071 182 V CA -0.384 61.911 62.300 -0.008 0.000 0.894 182 V CB 1.542 33.363 31.823 -0.004 0.000 1.008 182 V HN 0.639 nan 8.190 nan 0.000 0.425 183 G N 3.305 112.109 108.800 0.007 0.000 2.535 183 G HA2 0.671 4.631 3.960 0.000 0.000 0.282 183 G HA3 0.671 4.631 3.960 0.000 0.000 0.282 183 G C -0.554 174.365 174.900 0.031 0.000 1.350 183 G CA 0.063 45.175 45.100 0.020 0.000 1.039 183 G HN 0.877 nan 8.290 nan 0.000 0.509 184 Q N -3.117 116.713 119.800 0.050 0.000 2.813 184 Q HA 0.513 4.853 4.340 0.000 0.000 0.338 184 Q C -1.761 174.293 176.000 0.089 0.000 0.785 184 Q CA -0.936 54.898 55.803 0.051 0.000 0.834 184 Q CB 1.265 30.024 28.738 0.035 0.000 1.329 184 Q HN 0.401 nan 8.270 nan 0.000 0.511 185 V N 1.176 121.131 119.914 0.070 0.000 2.427 185 V HA 0.490 4.610 4.120 0.000 0.000 0.286 185 V C -0.476 175.676 176.094 0.097 0.000 1.034 185 V CA -0.673 61.691 62.300 0.106 0.000 0.893 185 V CB 1.376 33.203 31.823 0.007 0.000 0.982 185 V HN 0.505 nan 8.190 nan 0.000 0.452 186 V N 3.441 123.434 119.914 0.132 0.000 2.384 186 V HA 0.376 4.496 4.120 0.000 0.000 0.287 186 V C -0.482 175.667 176.094 0.092 0.000 1.020 186 V CA -0.440 61.914 62.300 0.090 0.000 0.850 186 V CB 1.763 33.630 31.823 0.074 0.000 0.987 186 V HN 0.939 nan 8.190 nan 0.000 0.436 187 D N 4.517 124.955 120.400 0.063 0.000 2.412 187 D HA 0.550 5.190 4.640 0.000 0.000 0.224 187 D C -0.051 176.269 176.300 0.034 0.000 1.093 187 D CA -0.197 53.835 54.000 0.054 0.000 0.850 187 D CB 1.564 42.388 40.800 0.040 0.000 1.046 187 D HN 0.687 nan 8.370 nan 0.000 0.507 188 A N 3.302 126.138 122.820 0.026 0.000 2.322 188 A HA 0.677 4.997 4.320 0.000 0.000 0.327 188 A C -0.088 177.480 177.584 -0.027 0.000 1.394 188 A CA -0.644 51.397 52.037 0.006 0.000 0.921 188 A CB 0.483 19.489 19.000 0.010 0.000 1.153 188 A HN 0.600 nan 8.150 nan 0.000 0.523 189 A N 3.122 125.922 122.820 -0.033 0.000 2.260 189 A HA 0.558 4.878 4.320 0.000 0.000 0.308 189 A C 0.969 178.483 177.584 -0.116 0.000 1.254 189 A CA -0.549 51.441 52.037 -0.079 0.000 0.874 189 A CB 0.141 19.126 19.000 -0.025 0.000 1.153 189 A HN 0.890 nan 8.150 nan 0.000 0.527 190 M N 2.463 121.915 119.600 -0.248 0.000 2.108 190 M HA -0.145 4.335 4.480 0.000 0.000 0.261 190 M C 1.957 178.178 176.300 -0.132 0.000 1.066 190 M CA 1.628 56.791 55.300 -0.228 0.000 1.107 190 M CB -0.225 32.134 32.600 -0.402 0.000 1.356 190 M HN 0.641 nan 8.290 nan 0.000 0.406 191 V N 0.376 120.201 119.914 -0.149 0.000 2.594 191 V HA -0.284 3.836 4.120 0.000 0.000 0.253 191 V C 1.362 177.492 176.094 0.061 0.000 1.069 191 V CA 2.109 64.429 62.300 0.033 0.000 1.082 191 V CB -0.452 31.479 31.823 0.180 0.000 0.680 191 V HN 0.420 nan 8.190 nan 0.000 0.469 192 D N 0.051 120.467 120.400 0.025 0.000 2.103 192 D HA -0.018 4.622 4.640 0.000 0.000 0.199 192 D C 2.122 178.446 176.300 0.040 0.000 0.978 192 D CA 1.476 55.496 54.000 0.033 0.000 0.829 192 D CB -0.716 40.094 40.800 0.016 0.000 0.981 192 D HN 0.485 nan 8.370 nan 0.000 0.464 193 G N 0.594 109.409 108.800 0.025 0.000 2.433 193 G HA2 -0.223 3.737 3.960 0.000 0.000 0.216 193 G HA3 -0.223 3.737 3.960 0.000 0.000 0.216 193 G C 1.843 176.780 174.900 0.062 0.000 1.186 193 G CA 0.917 46.040 45.100 0.039 0.000 0.779 193 G HN 0.224 nan 8.290 nan 0.000 0.543 194 V N 1.111 121.063 119.914 0.063 0.000 2.332 194 V HA -0.216 3.904 4.120 0.000 0.000 0.248 194 V C 3.151 179.312 176.094 0.112 0.000 1.055 194 V CA 2.335 64.686 62.300 0.085 0.000 1.038 194 V CB -0.602 31.272 31.823 0.085 0.000 0.651 194 V HN 0.372 nan 8.190 nan 0.000 0.450 195 S N -0.408 115.372 115.700 0.135 0.000 2.399 195 S HA -0.149 4.321 4.470 0.000 0.000 0.231 195 S C 1.900 176.625 174.600 0.208 0.000 1.022 195 S CA 1.454 59.786 58.200 0.219 0.000 0.983 195 S CB -0.141 63.178 63.200 0.199 0.000 0.803 195 S HN 0.423 nan 8.310 nan 0.000 0.480 196 V N 1.609 121.598 119.914 0.125 0.000 2.719 196 V HA -0.010 4.110 4.120 0.000 0.000 0.252 196 V C 1.956 178.115 176.094 0.108 0.000 1.065 196 V CA 1.071 63.433 62.300 0.103 0.000 1.086 196 V CB -0.591 31.270 31.823 0.064 0.000 0.700 196 V HN 0.422 nan 8.190 nan 0.000 0.467 197 L N 0.214 121.498 121.223 0.103 0.000 2.217 197 L HA -0.022 4.318 4.340 0.000 0.000 0.211 197 L C 2.365 179.291 176.870 0.093 0.000 1.107 197 L CA 1.302 56.198 54.840 0.092 0.000 0.783 197 L CB -0.463 41.651 42.059 0.091 0.000 0.919 197 L HN 0.352 nan 8.230 nan 0.000 0.442 198 A N -1.582 121.302 122.820 0.107 0.000 2.275 198 A HA -0.030 4.290 4.320 0.000 0.000 0.212 198 A C 1.957 179.614 177.584 0.122 0.000 1.201 198 A CA -0.015 52.057 52.037 0.057 0.000 0.843 198 A CB -0.067 18.918 19.000 -0.025 0.000 0.873 198 A HN 0.258 nan 8.150 nan 0.000 0.492 199 Q N -0.276 119.653 119.800 0.215 0.000 2.103 199 Q HA -0.324 4.016 4.340 0.000 0.000 0.213 199 Q C 2.038 178.142 176.000 0.175 0.000 1.008 199 Q CA 2.246 58.203 55.803 0.257 0.000 0.879 199 Q CB -0.566 28.263 28.738 0.152 0.000 0.946 199 Q HN 0.834 nan 8.270 nan 0.000 0.413 200 M N -0.759 118.900 119.600 0.099 0.000 2.116 200 M HA -0.298 4.182 4.480 0.000 0.000 0.255 200 M C 2.066 178.378 176.300 0.020 0.000 1.075 200 M CA 1.888 57.231 55.300 0.071 0.000 1.087 200 M CB -0.086 32.557 32.600 0.071 0.000 1.340 200 M HN 0.225 nan 8.290 nan 0.000 0.402 201 M N -0.367 119.186 119.600 -0.078 0.000 2.117 201 M HA -0.147 4.333 4.480 0.000 0.000 0.262 201 M C 1.462 177.614 176.300 -0.246 0.000 1.065 201 M CA 2.143 57.277 55.300 -0.277 0.000 1.114 201 M CB -0.711 31.624 32.600 -0.442 0.000 1.361 201 M HN 0.459 nan 8.290 nan 0.000 0.408 202 W N -0.503 120.750 121.300 -0.078 0.000 2.338 202 W HA -0.200 4.460 4.660 0.000 0.000 0.304 202 W C 2.308 178.798 176.519 -0.049 0.000 1.212 202 W CA 1.543 58.850 57.345 -0.063 0.000 1.264 202 W CB -0.973 28.462 29.460 -0.041 0.000 1.142 202 W HN 0.135 nan 8.180 nan 0.000 0.512 203 T N 0.528 115.194 114.554 0.187 0.000 2.652 203 T HA -0.275 4.075 4.350 0.000 0.000 0.267 203 T C 1.859 176.600 174.700 0.068 0.000 1.039 203 T CA 1.789 63.956 62.100 0.113 0.000 1.153 203 T CB -0.425 68.496 68.868 0.089 0.000 0.863 203 T HN -0.054 nan 8.240 nan 0.000 0.428 204 M N 1.076 120.687 119.600 0.019 0.000 2.108 204 M HA -0.058 4.422 4.480 0.000 0.000 0.261 204 M C 2.286 178.559 176.300 -0.045 0.000 1.066 204 M CA 1.420 56.708 55.300 -0.021 0.000 1.107 204 M CB -1.033 31.478 32.600 -0.149 0.000 1.356 204 M HN 0.146 nan 8.290 nan 0.000 0.406 205 K N 0.162 120.521 120.400 -0.069 0.000 2.032 205 K HA -0.132 4.188 4.320 0.000 0.000 0.209 205 K C 1.963 178.583 176.600 0.033 0.000 1.048 205 K CA 1.807 58.068 56.287 -0.044 0.000 0.927 205 K CB -0.520 31.965 32.500 -0.025 0.000 0.712 205 K HN 0.446 nan 8.250 nan 0.000 0.441 206 G N 0.678 109.524 108.800 0.077 0.000 2.448 206 G HA2 -0.140 3.820 3.960 0.000 0.000 0.218 206 G HA3 -0.140 3.820 3.960 0.000 0.000 0.218 206 G C 1.565 176.490 174.900 0.041 0.000 1.135 206 G CA 0.279 45.418 45.100 0.066 0.000 0.784 206 G HN 0.262 nan 8.290 nan 0.000 0.543 207 I N 0.232 120.825 120.570 0.038 0.000 2.617 207 I HA 0.148 4.318 4.170 0.000 0.000 0.256 207 I C 2.016 178.149 176.117 0.028 0.000 1.167 207 I CA 0.893 62.214 61.300 0.034 0.000 1.469 207 I CB 0.204 38.230 38.000 0.043 0.000 1.098 207 I HN 0.311 nan 8.210 nan 0.000 0.436 208 G N 0.252 109.063 108.800 0.019 0.000 2.131 208 G HA2 -0.222 3.738 3.960 0.000 0.000 0.201 208 G HA3 -0.222 3.738 3.960 0.000 0.000 0.201 208 G C 0.846 175.761 174.900 0.025 0.000 1.000 208 G CA 0.372 45.480 45.100 0.014 0.000 0.680 208 G HN 0.272 nan 8.290 nan 0.000 0.514 209 S N -0.509 115.213 115.700 0.037 0.000 2.548 209 S HA 0.373 4.843 4.470 0.000 0.000 0.215 209 S C 1.113 175.767 174.600 0.089 0.000 0.976 209 S CA 0.146 58.407 58.200 0.101 0.000 0.908 209 S CB 0.097 63.411 63.200 0.190 0.000 0.781 209 S HN 0.508 nan 8.310 nan 0.000 0.519 210 L N 1.455 122.648 121.223 -0.049 0.000 2.360 210 L HA 0.533 4.873 4.340 0.000 0.000 0.271 210 L C 0.635 177.472 176.870 -0.056 0.000 1.057 210 L CA -0.705 54.059 54.840 -0.127 0.000 0.803 210 L CB 0.993 42.886 42.059 -0.277 0.000 1.207 210 L HN 0.006 nan 8.230 nan 0.000 0.445 211 R N -0.043 120.430 120.500 -0.044 0.000 2.981 211 R HA 0.221 4.561 4.340 0.000 0.000 0.228 211 R C -0.017 176.252 176.300 -0.051 0.000 1.421 211 R CA -0.877 55.208 56.100 -0.025 0.000 1.073 211 R CB 0.713 31.017 30.300 0.006 0.000 1.568 211 R HN 0.525 nan 8.270 nan 0.000 0.514 212 D N 0.347 120.726 120.400 -0.035 0.000 2.216 212 D HA -0.069 4.571 4.640 0.000 0.000 0.208 212 D C 0.074 176.350 176.300 -0.040 0.000 0.960 212 D CA 0.942 54.917 54.000 -0.042 0.000 0.861 212 D CB 0.474 41.257 40.800 -0.028 0.000 0.985 212 D HN 0.303 nan 8.370 nan 0.000 0.493 213 Q N 0.650 120.437 119.800 -0.022 0.000 2.249 213 Q HA 0.254 4.594 4.340 0.000 0.000 0.226 213 Q C 0.082 176.075 176.000 -0.013 0.000 0.983 213 Q CA -0.329 55.465 55.803 -0.014 0.000 0.930 213 Q CB 1.122 29.860 28.738 -0.000 0.000 1.193 213 Q HN 0.028 nan 8.270 nan 0.000 0.508 214 R N -0.012 120.484 120.500 -0.007 0.000 2.541 214 R HA 0.179 4.519 4.340 0.000 0.000 0.263 214 R C -0.207 176.099 176.300 0.010 0.000 1.112 214 R CA -0.547 55.551 56.100 -0.004 0.000 1.170 214 R CB 0.278 30.575 30.300 -0.006 0.000 1.167 214 R HN 0.808 nan 8.270 nan 0.000 0.582 215 E N -0.529 119.675 120.200 0.006 0.000 2.476 215 E HA -0.209 4.141 4.350 0.000 0.000 0.251 215 E C -0.207 176.412 176.600 0.031 0.000 1.130 215 E CA 0.539 56.938 56.400 -0.001 0.000 0.736 215 E CB -0.799 28.895 29.700 -0.009 0.000 1.298 215 E HN 0.525 nan 8.360 nan 0.000 0.400 216 S N -1.172 114.568 115.700 0.066 0.000 2.619 216 S HA 0.162 4.632 4.470 0.000 0.000 0.238 216 S C 0.166 174.860 174.600 0.156 0.000 1.068 216 S CA -0.447 57.808 58.200 0.092 0.000 0.926 216 S CB 0.334 63.574 63.200 0.067 0.000 0.864 216 S HN 0.342 nan 8.310 nan 0.000 0.493 217 F N 2.020 121.955 119.950 -0.026 0.000 2.284 217 F HA 0.400 4.927 4.527 0.000 0.000 0.297 217 F C 1.136 176.909 175.800 -0.046 0.000 1.215 217 F CA -0.984 56.995 58.000 -0.036 0.000 1.120 217 F CB 0.265 39.229 39.000 -0.060 0.000 1.426 217 F HN -0.011 nan 8.300 nan 0.000 0.514 218 L N 1.329 121.961 121.223 -0.985 0.000 2.179 218 L HA 0.115 4.455 4.340 0.000 0.000 0.208 218 L C 1.006 177.505 176.870 -0.617 0.000 1.096 218 L CA 1.790 56.161 54.840 -0.782 0.000 0.779 218 L CB -0.549 40.961 42.059 -0.915 0.000 0.922 218 L HN 0.608 nan 8.230 nan 0.000 0.443 219 L N -0.090 120.819 121.223 -0.524 0.000 2.769 219 L HA 0.231 4.571 4.340 0.000 0.000 0.240 219 L C 0.358 177.305 176.870 0.128 0.000 1.163 219 L CA 0.123 54.840 54.840 -0.206 0.000 0.962 219 L CB -0.196 41.768 42.059 -0.158 0.000 1.258 219 L HN 0.279 nan 8.230 nan 0.000 0.513 220 D N -0.729 119.744 120.400 0.122 0.000 2.538 220 D HA 0.162 4.802 4.640 0.000 0.000 0.231 220 D C 1.198 177.486 176.300 -0.020 0.000 1.229 220 D CA 0.330 54.386 54.000 0.093 0.000 0.828 220 D CB 0.786 41.663 40.800 0.130 0.000 1.035 220 D HN 0.157 nan 8.370 nan 0.000 0.495 221 G N -0.204 108.572 108.800 -0.039 0.000 2.175 221 G HA2 -0.243 3.717 3.960 0.000 0.000 0.244 221 G HA3 -0.243 3.717 3.960 0.000 0.000 0.244 221 G C 1.176 176.007 174.900 -0.115 0.000 0.982 221 G CA 0.068 45.092 45.100 -0.127 0.000 0.641 221 G HN 0.654 nan 8.290 nan 0.000 0.527 222 G N -0.012 108.750 108.800 -0.063 0.000 2.848 222 G HA2 0.516 4.476 3.960 0.000 0.000 0.208 222 G HA3 0.516 4.476 3.960 0.000 0.000 0.208 222 G C 0.600 175.475 174.900 -0.042 0.000 1.152 222 G CA 1.331 46.423 45.100 -0.013 0.000 0.789 222 G HN 1.766 nan 8.290 nan 0.000 0.531 223 A N 0.782 123.454 122.820 -0.247 0.000 2.340 223 A HA 0.684 5.004 4.320 0.000 0.000 0.297 223 A C -1.169 176.115 177.584 -0.501 0.000 1.195 223 A CA -1.341 50.321 52.037 -0.625 0.000 0.769 223 A CB 1.793 20.179 19.000 -1.022 0.000 1.163 223 A HN -0.015 nan 8.150 nan 0.000 0.472 224 P HA -0.195 nan 4.420 nan 0.000 0.220 224 P C 0.763 178.384 177.300 0.536 0.000 1.144 224 P CA 1.377 64.624 63.100 0.246 0.000 0.800 224 P CB -0.225 31.669 31.700 0.323 0.000 0.772 225 F N -3.936 116.237 119.950 0.372 0.000 2.664 225 F HA 0.368 4.895 4.527 0.000 0.000 0.301 225 F C 0.443 176.413 175.800 0.284 0.000 1.126 225 F CA -0.943 57.318 58.000 0.435 0.000 1.373 225 F CB -0.720 38.635 39.000 0.591 0.000 1.042 225 F HN -0.234 nan 8.300 nan 0.000 0.535 226 Y N 3.031 123.236 120.300 -0.158 0.000 2.542 226 Y HA 0.437 4.987 4.550 0.000 0.000 0.316 226 Y C -0.269 175.505 175.900 -0.210 0.000 1.107 226 Y CA -1.401 56.584 58.100 -0.191 0.000 1.233 226 Y CB 0.104 38.376 38.460 -0.313 0.000 1.111 226 Y HN 0.324 nan 8.280 nan 0.000 0.613 227 R N -0.208 120.026 120.500 -0.442 0.000 3.091 227 R HA 0.755 5.095 4.340 0.000 0.000 0.266 227 R C -1.870 174.118 176.300 -0.520 0.000 0.981 227 R CA -0.825 54.989 56.100 -0.476 0.000 0.845 227 R CB 0.269 30.329 30.300 -0.399 0.000 1.498 227 R HN 0.196 nan 8.270 nan 0.000 0.437 228 C N 0.102 119.073 119.300 -0.549 0.000 2.435 228 C HA 0.714 5.174 4.460 0.000 0.000 0.333 228 C C -1.255 173.364 174.990 -0.617 0.000 1.202 228 C CA -0.306 58.410 59.018 -0.502 0.000 1.830 228 C CB 0.512 28.019 27.740 -0.389 0.000 2.326 228 C HN 0.562 nan 8.230 nan 0.000 0.507 229 Y N 0.562 120.700 120.300 -0.271 0.000 2.425 229 Y HA 0.418 4.968 4.550 0.000 0.000 0.344 229 Y C 0.203 176.108 175.900 0.009 0.000 0.969 229 Y CA -0.533 57.469 58.100 -0.163 0.000 1.052 229 Y CB 1.024 39.229 38.460 -0.424 0.000 1.215 229 Y HN 0.668 nan 8.280 nan 0.000 0.451 230 E N 1.931 122.330 120.200 0.331 0.000 2.354 230 E HA 0.252 4.602 4.350 0.000 0.000 0.269 230 E C -0.264 176.440 176.600 0.173 0.000 1.036 230 E CA -0.332 56.206 56.400 0.231 0.000 0.876 230 E CB 0.863 30.682 29.700 0.198 0.000 1.009 230 E HN 0.735 nan 8.360 nan 0.000 0.416 231 T N 0.588 115.198 114.554 0.093 0.000 2.880 231 T HA 0.149 4.499 4.350 0.000 0.000 0.279 231 T C 1.394 176.162 174.700 0.112 0.000 0.990 231 T CA -0.074 62.159 62.100 0.221 0.000 0.938 231 T CB 1.114 70.140 68.868 0.264 0.000 1.206 231 T HN 0.526 nan 8.240 nan 0.000 0.573 232 S N 0.789 116.555 115.700 0.110 0.000 2.348 232 S HA -0.156 4.314 4.470 0.000 0.000 0.221 232 S C 1.172 175.770 174.600 -0.004 0.000 1.033 232 S CA 1.199 59.422 58.200 0.038 0.000 1.010 232 S CB -1.108 62.093 63.200 0.001 0.000 0.891 232 S HN 0.910 nan 8.310 nan 0.000 0.442 233 D N 1.477 121.868 120.400 -0.015 0.000 2.841 233 D HA 0.284 4.924 4.640 0.000 0.000 0.244 233 D C 1.207 177.461 176.300 -0.078 0.000 1.228 233 D CA 0.329 54.306 54.000 -0.038 0.000 0.872 233 D CB -1.145 39.636 40.800 -0.031 0.000 1.082 233 D HN 0.595 nan 8.370 nan 0.000 0.457 234 G N -0.098 108.639 108.800 -0.105 0.000 2.225 234 G HA2 -0.402 3.558 3.960 0.000 0.000 0.272 234 G HA3 -0.402 3.558 3.960 0.000 0.000 0.272 234 G C 0.571 175.229 174.900 -0.402 0.000 0.996 234 G CA 0.982 45.962 45.100 -0.200 0.000 0.710 234 G HN 0.519 nan 8.290 nan 0.000 0.522 235 K N -1.280 118.916 120.400 -0.341 0.000 2.520 235 K HA 0.784 5.104 4.320 0.000 0.000 0.256 235 K C -0.292 175.960 176.600 -0.582 0.000 1.033 235 K CA -0.492 55.560 56.287 -0.391 0.000 1.007 235 K CB 0.404 32.834 32.500 -0.116 0.000 1.330 235 K HN 0.146 nan 8.250 nan 0.000 0.507 236 Y N -0.371 119.923 120.300 -0.010 0.000 2.524 236 Y HA 0.479 5.029 4.550 0.000 0.000 0.347 236 Y C -0.538 175.300 175.900 -0.105 0.000 1.005 236 Y CA -0.983 57.080 58.100 -0.061 0.000 1.025 236 Y CB 1.677 40.082 38.460 -0.091 0.000 1.275 236 Y HN 0.142 nan 8.280 nan 0.000 0.460 237 M N 2.108 121.689 119.600 -0.032 0.000 2.393 237 M HA 0.663 5.143 4.480 0.000 0.000 0.316 237 M C -0.692 175.415 176.300 -0.321 0.000 1.087 237 M CA -1.016 54.156 55.300 -0.213 0.000 0.937 237 M CB 1.866 34.215 32.600 -0.420 0.000 1.668 237 M HN 0.794 nan 8.290 nan 0.000 0.438 238 A N 3.608 126.254 122.820 -0.289 0.000 2.260 238 A HA 0.721 5.041 4.320 0.000 0.000 0.314 238 A C -0.490 176.883 177.584 -0.352 0.000 1.257 238 A CA -0.562 51.279 52.037 -0.325 0.000 0.871 238 A CB 0.529 19.363 19.000 -0.275 0.000 1.166 238 A HN 0.607 nan 8.150 nan 0.000 0.522 239 V N 1.689 121.383 119.914 -0.367 0.000 2.581 239 V HA 0.766 4.886 4.120 0.000 0.000 0.303 239 V C 0.873 176.803 176.094 -0.273 0.000 1.041 239 V CA 0.246 62.376 62.300 -0.284 0.000 0.907 239 V CB 1.914 33.643 31.823 -0.157 0.000 0.994 239 V HN 1.196 nan 8.190 nan 0.000 0.442 240 G N 2.247 110.982 108.800 -0.109 0.000 5.302 240 G HA2 0.449 4.409 3.960 0.000 0.000 0.223 240 G HA3 0.449 4.409 3.960 0.000 0.000 0.223 240 G C 0.203 175.276 174.900 0.288 0.000 0.832 240 G CA 0.410 45.572 45.100 0.104 0.000 0.714 240 G HN 0.999 nan 8.290 nan 0.000 0.444 241 A N 0.940 123.941 122.820 0.301 0.000 2.981 241 A HA 0.564 4.884 4.320 0.000 0.000 0.280 241 A C 1.226 179.184 177.584 0.623 0.000 1.743 241 A CA -0.180 52.101 52.037 0.406 0.000 1.430 241 A CB -0.457 18.716 19.000 0.288 0.000 1.085 241 A HN 0.431 nan 8.150 nan 0.000 0.597 242 I N 0.022 120.922 120.570 0.549 0.000 2.270 242 I HA -0.028 4.142 4.170 0.000 0.000 0.239 242 I C 0.683 176.956 176.117 0.261 0.000 1.080 242 I CA 0.321 61.912 61.300 0.485 0.000 1.383 242 I CB -0.236 37.940 38.000 0.293 0.000 1.097 242 I HN 0.431 nan 8.210 nan 0.000 0.420 243 E N 2.633 122.955 120.200 0.205 0.000 2.442 243 E HA -0.054 4.296 4.350 0.000 0.000 0.262 243 E C -1.528 175.003 176.600 -0.115 0.000 1.004 243 E CA -0.985 55.353 56.400 -0.103 0.000 0.928 243 E CB 0.005 29.367 29.700 -0.564 0.000 0.937 243 E HN 0.145 nan 8.360 nan 0.000 0.446 244 P HA -0.281 nan 4.420 nan 0.000 0.218 244 P C 1.134 178.417 177.300 -0.029 0.000 1.148 244 P CA 1.441 64.484 63.100 -0.095 0.000 0.822 244 P CB 0.379 32.003 31.700 -0.126 0.000 0.784 245 Q N -0.714 118.974 119.800 -0.186 0.000 2.046 245 Q HA -0.148 4.192 4.340 0.000 0.000 0.200 245 Q C 2.008 178.037 176.000 0.049 0.000 0.975 245 Q CA 1.509 57.228 55.803 -0.139 0.000 0.836 245 Q CB -0.394 28.158 28.738 -0.311 0.000 0.896 245 Q HN 0.094 nan 8.270 nan 0.000 0.428 246 F N -0.269 119.738 119.950 0.096 0.000 2.234 246 F HA -0.073 4.454 4.527 0.000 0.000 0.299 246 F C 1.998 177.863 175.800 0.109 0.000 1.087 246 F CA 0.346 58.400 58.000 0.091 0.000 1.340 246 F CB -1.063 37.991 39.000 0.091 0.000 1.031 246 F HN 0.140 nan 8.300 nan 0.000 0.500 247 F N 0.965 120.998 119.950 0.138 0.000 2.216 247 F HA -0.085 4.442 4.527 0.000 0.000 0.300 247 F C 2.240 178.075 175.800 0.059 0.000 1.085 247 F CA 0.835 58.870 58.000 0.059 0.000 1.326 247 F CB -0.471 38.488 39.000 -0.068 0.000 1.027 247 F HN -0.057 nan 8.300 nan 0.000 0.497 248 A N 0.623 123.553 122.820 0.184 0.000 1.835 248 A HA -0.099 4.221 4.320 0.000 0.000 0.215 248 A C 2.494 180.097 177.584 0.032 0.000 1.199 248 A CA 2.019 54.113 52.037 0.095 0.000 0.615 248 A CB -1.684 17.378 19.000 0.103 0.000 0.838 248 A HN 0.469 nan 8.150 nan 0.000 0.444 249 A N -0.287 122.591 122.820 0.095 0.000 1.903 249 A HA -0.186 4.135 4.320 0.000 0.000 0.219 249 A C 2.198 179.851 177.584 0.114 0.000 1.191 249 A CA 1.871 53.974 52.037 0.110 0.000 0.638 249 A CB -0.764 18.338 19.000 0.169 0.000 0.823 249 A HN 0.619 nan 8.150 nan 0.000 0.451 250 L N -1.049 120.186 121.223 0.019 0.000 1.990 250 L HA -0.182 4.158 4.340 0.000 0.000 0.213 250 L C 2.421 179.204 176.870 -0.145 0.000 1.072 250 L CA 2.390 57.172 54.840 -0.097 0.000 0.755 250 L CB -0.931 40.907 42.059 -0.368 0.000 0.889 250 L HN 0.378 nan 8.230 nan 0.000 0.432 251 L N -0.209 120.843 121.223 -0.286 0.000 2.131 251 L HA -0.171 4.169 4.340 0.000 0.000 0.210 251 L C 2.900 179.712 176.870 -0.097 0.000 1.092 251 L CA 1.698 56.410 54.840 -0.213 0.000 0.759 251 L CB -0.731 41.206 42.059 -0.203 0.000 0.903 251 L HN 0.342 nan 8.230 nan 0.000 0.435 252 S N -0.760 114.904 115.700 -0.059 0.000 2.343 252 S HA -0.115 4.355 4.470 0.000 0.000 0.212 252 S C 2.121 176.653 174.600 -0.114 0.000 1.033 252 S CA 1.193 59.360 58.200 -0.055 0.000 1.004 252 S CB -0.864 62.319 63.200 -0.029 0.000 0.977 252 S HN 0.464 nan 8.310 nan 0.000 0.427 253 G N 1.115 109.802 108.800 -0.187 0.000 2.499 253 G HA2 -0.169 3.791 3.960 0.000 0.000 0.221 253 G HA3 -0.169 3.791 3.960 0.000 0.000 0.221 253 G C 1.275 175.903 174.900 -0.453 0.000 1.109 253 G CA 1.028 45.824 45.100 -0.507 0.000 0.749 253 G HN 0.497 nan 8.290 nan 0.000 0.568 254 L N 0.595 121.688 121.223 -0.216 0.000 2.552 254 L HA 0.321 4.661 4.340 0.000 0.000 0.227 254 L C 1.861 178.698 176.870 -0.054 0.000 1.146 254 L CA 1.028 55.772 54.840 -0.161 0.000 0.858 254 L CB -0.240 41.631 42.059 -0.313 0.000 0.969 254 L HN 0.360 nan 8.230 nan 0.000 0.451 255 G N 0.204 108.963 108.800 -0.067 0.000 2.272 255 G HA2 -0.256 3.704 3.960 0.000 0.000 0.280 255 G HA3 -0.256 3.704 3.960 0.000 0.000 0.280 255 G C -0.156 174.730 174.900 -0.024 0.000 1.067 255 G CA 0.494 45.571 45.100 -0.039 0.000 0.902 255 G HN 0.294 nan 8.290 nan 0.000 0.500 256 L N -0.179 121.028 121.223 -0.027 0.000 2.381 256 L HA 0.711 5.051 4.340 0.000 0.000 0.268 256 L C 0.490 177.363 176.870 0.005 0.000 0.997 256 L CA -0.951 53.888 54.840 -0.001 0.000 0.818 256 L CB 2.249 44.320 42.059 0.020 0.000 1.310 256 L HN 0.214 nan 8.230 nan 0.000 0.416 257 S N 0.743 116.454 115.700 0.019 0.000 2.554 257 S HA 0.459 4.929 4.470 0.000 0.000 0.278 257 S C 1.107 175.735 174.600 0.047 0.000 1.242 257 S CA 0.124 58.340 58.200 0.025 0.000 1.051 257 S CB 1.692 64.905 63.200 0.021 0.000 0.986 257 S HN 0.724 nan 8.310 nan 0.000 0.502 258 A N 4.896 127.750 122.820 0.057 0.000 1.903 258 A HA -0.109 4.211 4.320 0.000 0.000 0.219 258 A C 2.320 179.953 177.584 0.083 0.000 1.191 258 A CA 2.341 54.433 52.037 0.091 0.000 0.638 258 A CB -1.505 17.546 19.000 0.085 0.000 0.823 258 A HN 1.307 nan 8.150 nan 0.000 0.451 259 A N -0.815 122.038 122.820 0.055 0.000 2.070 259 A HA -0.141 4.179 4.320 0.000 0.000 0.220 259 A C 1.705 179.316 177.584 0.045 0.000 1.159 259 A CA 1.743 53.806 52.037 0.045 0.000 0.656 259 A CB -0.439 18.580 19.000 0.031 0.000 0.800 259 A HN 0.539 nan 8.150 nan 0.000 0.453 260 D N -0.437 119.992 120.400 0.048 0.000 2.120 260 D HA 0.027 4.667 4.640 0.000 0.000 0.202 260 D C 0.641 176.972 176.300 0.052 0.000 0.972 260 D CA 0.943 54.969 54.000 0.044 0.000 0.837 260 D CB -0.167 40.656 40.800 0.039 0.000 0.989 260 D HN 0.212 nan 8.370 nan 0.000 0.469 261 V N 2.281 122.241 119.914 0.078 0.000 2.539 261 V HA 0.243 4.363 4.120 0.000 0.000 0.292 261 V C -2.003 174.159 176.094 0.113 0.000 1.045 261 V CA -1.686 60.666 62.300 0.086 0.000 0.945 261 V CB 1.347 33.247 31.823 0.130 0.000 0.993 261 V HN -0.072 nan 8.190 nan 0.000 0.464 262 P HA 0.108 nan 4.420 nan 0.000 0.271 262 P C -0.056 177.320 177.300 0.127 0.000 1.233 262 P CA 0.003 63.160 63.100 0.096 0.000 0.795 262 P CB 0.172 31.931 31.700 0.099 0.000 0.936 263 T N -2.205 112.385 114.554 0.060 0.000 2.909 263 T HA 0.155 4.505 4.350 0.000 0.000 0.286 263 T C 1.150 175.787 174.700 -0.106 0.000 1.002 263 T CA -0.570 61.510 62.100 -0.033 0.000 1.074 263 T CB 0.654 69.494 68.868 -0.047 0.000 0.984 263 T HN 0.334 nan 8.240 nan 0.000 0.495 264 Q N 0.233 119.776 119.800 -0.428 0.000 2.173 264 Q HA -0.120 4.220 4.340 0.000 0.000 0.208 264 Q C 1.902 177.882 176.000 -0.033 0.000 0.989 264 Q CA 1.128 56.653 55.803 -0.463 0.000 0.872 264 Q CB -0.250 27.932 28.738 -0.926 0.000 0.909 264 Q HN 0.571 nan 8.270 nan 0.000 0.420 265 L N 1.210 122.374 121.223 -0.098 0.000 2.201 265 L HA -0.115 4.225 4.340 0.000 0.000 0.212 265 L C 0.906 177.735 176.870 -0.069 0.000 1.105 265 L CA 1.297 56.103 54.840 -0.057 0.000 0.775 265 L CB -0.635 41.382 42.059 -0.069 0.000 0.913 265 L HN 0.195 nan 8.230 nan 0.000 0.440 266 D N -0.014 120.359 120.400 -0.046 0.000 2.885 266 D HA -0.026 4.614 4.640 0.000 0.000 0.234 266 D C 1.681 177.849 176.300 -0.220 0.000 1.129 266 D CA 0.016 53.970 54.000 -0.076 0.000 0.991 266 D CB -0.059 40.736 40.800 -0.009 0.000 1.137 266 D HN -0.010 nan 8.370 nan 0.000 0.459 267 V N 1.724 121.342 119.914 -0.493 0.000 2.277 267 V HA -0.381 3.739 4.120 0.000 0.000 0.255 267 V C 2.565 178.296 176.094 -0.604 0.000 1.074 267 V CA 2.236 63.862 62.300 -1.124 0.000 1.058 267 V CB -0.859 30.542 31.823 -0.704 0.000 0.656 267 V HN 0.578 nan 8.190 nan 0.000 0.449 268 A N -0.057 122.600 122.820 -0.272 0.000 2.084 268 A HA -0.082 4.238 4.320 0.000 0.000 0.221 268 A C 2.079 179.636 177.584 -0.045 0.000 1.161 268 A CA 1.800 53.764 52.037 -0.121 0.000 0.653 268 A CB -0.716 18.238 19.000 -0.076 0.000 0.802 268 A HN 0.651 nan 8.150 nan 0.000 0.457 269 G N -3.045 105.739 108.800 -0.026 0.000 3.337 269 G HA2 0.239 4.199 3.960 0.000 0.000 0.246 269 G HA3 0.239 4.199 3.960 0.000 0.000 0.246 269 G C 0.979 176.001 174.900 0.204 0.000 1.131 269 G CA -0.045 45.098 45.100 0.072 0.000 0.773 269 G HN 0.615 nan 8.290 nan 0.000 0.544 270 Y N 1.054 121.390 120.300 0.059 0.000 2.145 270 Y HA -0.124 4.426 4.550 0.000 0.000 0.286 270 Y C 0.275 176.233 175.900 0.097 0.000 1.145 270 Y CA 0.705 58.858 58.100 0.087 0.000 1.148 270 Y CB -0.527 37.988 38.460 0.091 0.000 0.981 270 Y HN 0.242 nan 8.280 nan 0.000 0.507 271 P HA -0.250 nan 4.420 nan 0.000 0.216 271 P C 1.331 178.763 177.300 0.220 0.000 1.150 271 P CA 1.873 65.099 63.100 0.210 0.000 0.843 271 P CB -0.125 31.660 31.700 0.142 0.000 0.787 272 Q N -1.029 118.863 119.800 0.154 0.000 2.049 272 Q HA -0.149 4.191 4.340 0.000 0.000 0.198 272 Q C 2.155 178.183 176.000 0.048 0.000 0.971 272 Q CA 1.268 57.131 55.803 0.099 0.000 0.833 272 Q CB -0.512 28.268 28.738 0.070 0.000 0.896 272 Q HN 0.145 nan 8.270 nan 0.000 0.434 273 M N -0.279 119.333 119.600 0.020 0.000 2.106 273 M HA -0.249 4.231 4.480 0.000 0.000 0.259 273 M C 1.955 178.053 176.300 -0.336 0.000 1.068 273 M CA 1.759 56.918 55.300 -0.234 0.000 1.100 273 M CB -0.301 32.186 32.600 -0.187 0.000 1.351 273 M HN 0.379 nan 8.290 nan 0.000 0.404 274 Y N 1.561 121.797 120.300 -0.107 0.000 2.128 274 Y HA -0.299 4.251 4.550 0.000 0.000 0.284 274 Y C 1.823 177.814 175.900 0.150 0.000 1.154 274 Y CA 2.245 60.415 58.100 0.117 0.000 1.149 274 Y CB -0.711 37.854 38.460 0.176 0.000 0.976 274 Y HN 0.374 nan 8.280 nan 0.000 0.505 275 D N 0.216 120.609 120.400 -0.011 0.000 2.097 275 D HA -0.185 4.455 4.640 0.000 0.000 0.195 275 D C 2.203 178.454 176.300 -0.083 0.000 0.989 275 D CA 1.860 55.794 54.000 -0.111 0.000 0.827 275 D CB -0.386 40.421 40.800 0.011 0.000 0.966 275 D HN 0.386 nan 8.370 nan 0.000 0.456 276 I N 0.421 120.954 120.570 -0.060 0.000 2.286 276 I HA -0.213 3.958 4.170 0.000 0.000 0.248 276 I C 2.319 178.484 176.117 0.079 0.000 1.115 276 I CA 0.952 62.242 61.300 -0.017 0.000 1.392 276 I CB -0.479 37.495 38.000 -0.042 0.000 1.065 276 I HN 0.004 nan 8.210 nan 0.000 0.418 277 F N -0.187 119.665 119.950 -0.162 0.000 2.163 277 F HA -0.157 4.370 4.527 0.000 0.000 0.297 277 F C 2.543 178.083 175.800 -0.434 0.000 1.094 277 F CA 0.422 58.201 58.000 -0.370 0.000 1.290 277 F CB -0.368 38.334 39.000 -0.498 0.000 1.017 277 F HN 0.045 nan 8.300 nan 0.000 0.483 278 A N 0.289 123.014 122.820 -0.158 0.000 1.902 278 A HA -0.257 4.063 4.320 0.000 0.000 0.217 278 A C 1.835 179.452 177.584 0.055 0.000 1.181 278 A CA 1.959 53.983 52.037 -0.022 0.000 0.623 278 A CB -0.759 18.120 19.000 -0.202 0.000 0.818 278 A HN 0.377 nan 8.150 nan 0.000 0.443 279 E N -0.013 120.195 120.200 0.013 0.000 2.013 279 E HA -0.248 4.102 4.350 0.000 0.000 0.202 279 E C 2.176 178.834 176.600 0.096 0.000 1.018 279 E CA 1.983 58.411 56.400 0.047 0.000 0.834 279 E CB -0.276 29.440 29.700 0.025 0.000 0.770 279 E HN 0.442 nan 8.360 nan 0.000 0.459 280 R N -1.069 119.475 120.500 0.073 0.000 2.080 280 R HA -0.115 4.225 4.340 0.000 0.000 0.236 280 R C 2.298 178.799 176.300 0.335 0.000 1.137 280 R CA 1.816 57.989 56.100 0.122 0.000 0.943 280 R CB -0.795 29.500 30.300 -0.009 0.000 0.846 280 R HN 0.254 nan 8.270 nan 0.000 0.431 281 F N -0.065 119.974 119.950 0.147 0.000 2.202 281 F HA -0.103 4.424 4.527 0.000 0.000 0.301 281 F C 2.080 178.187 175.800 0.511 0.000 1.082 281 F CA 1.387 59.504 58.000 0.195 0.000 1.313 281 F CB -0.464 38.415 39.000 -0.202 0.000 1.024 281 F HN 0.158 nan 8.300 nan 0.000 0.495 282 A N -1.165 121.926 122.820 0.451 0.000 2.251 282 A HA 0.064 4.384 4.320 0.000 0.000 0.209 282 A C 1.874 179.579 177.584 0.201 0.000 1.187 282 A CA 0.873 53.088 52.037 0.297 0.000 0.823 282 A CB -0.853 18.261 19.000 0.189 0.000 0.846 282 A HN 0.275 nan 8.150 nan 0.000 0.486 283 S N -0.857 114.970 115.700 0.211 0.000 2.577 283 S HA 0.367 4.837 4.470 0.000 0.000 0.219 283 S C 0.553 175.099 174.600 -0.091 0.000 0.962 283 S CA -0.530 57.703 58.200 0.054 0.000 0.921 283 S CB 0.080 63.305 63.200 0.041 0.000 0.789 283 S HN 0.523 nan 8.310 nan 0.000 0.497 284 R N 0.206 120.632 120.500 -0.122 0.000 2.752 284 R HA 0.449 4.789 4.340 0.000 0.000 0.271 284 R C -1.046 175.125 176.300 -0.215 0.000 1.026 284 R CA -0.503 55.353 56.100 -0.406 0.000 0.901 284 R CB 1.023 30.645 30.300 -1.130 0.000 1.243 284 R HN 0.318 nan 8.270 nan 0.000 0.463 285 T N -1.936 112.494 114.554 -0.207 0.000 2.913 285 T HA 0.184 4.535 4.350 0.000 0.000 0.287 285 T C 1.093 175.832 174.700 0.064 0.000 1.008 285 T CA -0.754 61.320 62.100 -0.043 0.000 1.067 285 T CB 1.805 70.641 68.868 -0.052 0.000 0.996 285 T HN 0.721 nan 8.240 nan 0.000 0.513 286 R N 1.107 121.697 120.500 0.150 0.000 2.119 286 R HA -0.211 4.129 4.340 0.000 0.000 0.246 286 R C 1.194 177.607 176.300 0.188 0.000 1.146 286 R CA 2.538 58.772 56.100 0.223 0.000 0.962 286 R CB -0.718 29.652 30.300 0.117 0.000 0.863 286 R HN 0.830 nan 8.270 nan 0.000 0.442 287 D N 0.088 120.542 120.400 0.090 0.000 2.087 287 D HA -0.187 4.453 4.640 0.000 0.000 0.192 287 D C 1.824 178.165 176.300 0.068 0.000 0.993 287 D CA 1.957 55.994 54.000 0.063 0.000 0.828 287 D CB -0.249 40.561 40.800 0.017 0.000 0.968 287 D HN 0.438 nan 8.370 nan 0.000 0.448 288 E N -0.121 120.078 120.200 -0.003 0.000 2.049 288 E HA -0.220 4.130 4.350 0.000 0.000 0.198 288 E C 2.226 178.861 176.600 0.059 0.000 1.007 288 E CA 1.132 57.489 56.400 -0.071 0.000 0.809 288 E CB -0.384 29.162 29.700 -0.256 0.000 0.749 288 E HN 0.469 nan 8.360 nan 0.000 0.450 289 W N 0.961 122.310 121.300 0.083 0.000 2.318 289 W HA -0.230 4.430 4.660 0.000 0.000 0.313 289 W C 2.752 179.401 176.519 0.217 0.000 1.221 289 W CA 1.096 58.552 57.345 0.186 0.000 1.266 289 W CB -0.445 29.194 29.460 0.298 0.000 1.150 289 W HN 0.083 nan 8.180 nan 0.000 0.496 290 T N 0.136 114.935 114.554 0.407 0.000 2.699 290 T HA -0.258 4.092 4.350 0.000 0.000 0.268 290 T C 1.560 176.378 174.700 0.197 0.000 1.036 290 T CA 1.694 63.948 62.100 0.257 0.000 1.147 290 T CB -0.334 68.627 68.868 0.154 0.000 0.862 290 T HN 0.179 nan 8.240 nan 0.000 0.446 291 R N 0.223 120.810 120.500 0.145 0.000 2.070 291 R HA -0.045 4.295 4.340 0.000 0.000 0.233 291 R C 2.535 178.869 176.300 0.057 0.000 1.137 291 R CA 1.133 57.277 56.100 0.073 0.000 0.945 291 R CB -0.876 29.440 30.300 0.026 0.000 0.845 291 R HN 0.235 nan 8.270 nan 0.000 0.430 292 V N 0.829 120.779 119.914 0.059 0.000 2.215 292 V HA -0.276 3.844 4.120 0.000 0.000 0.246 292 V C 1.921 177.939 176.094 -0.127 0.000 1.047 292 V CA 1.990 64.240 62.300 -0.084 0.000 0.999 292 V CB -0.596 31.143 31.823 -0.141 0.000 0.635 292 V HN 0.220 nan 8.190 nan 0.000 0.450 293 F N 0.838 120.845 119.950 0.094 0.000 2.722 293 F HA 0.284 4.811 4.527 0.000 0.000 0.298 293 F C 1.460 177.266 175.800 0.011 0.000 1.175 293 F CA 0.143 58.160 58.000 0.028 0.000 1.462 293 F CB -0.837 38.166 39.000 0.004 0.000 1.111 293 F HN 0.077 nan 8.300 nan 0.000 0.592 294 A N 0.412 123.325 122.820 0.155 0.000 2.546 294 A HA 0.371 4.691 4.320 0.000 0.000 0.243 294 A C 1.673 179.289 177.584 0.053 0.000 1.063 294 A CA 0.630 52.721 52.037 0.089 0.000 0.757 294 A CB -0.646 18.391 19.000 0.062 0.000 0.991 294 A HN 0.825 nan 8.150 nan 0.000 0.503 295 G N 1.763 110.581 108.800 0.030 0.000 2.302 295 G HA2 -0.275 3.685 3.960 0.000 0.000 0.263 295 G HA3 -0.275 3.685 3.960 0.000 0.000 0.263 295 G C 0.771 175.680 174.900 0.014 0.000 0.995 295 G CA 1.626 46.733 45.100 0.012 0.000 0.622 295 G HN 2.187 nan 8.290 nan 0.000 0.538 296 T N -1.585 112.993 114.554 0.040 0.000 2.904 296 T HA 0.523 4.873 4.350 0.000 0.000 0.290 296 T C 0.399 175.111 174.700 0.019 0.000 1.018 296 T CA 0.262 62.391 62.100 0.049 0.000 1.075 296 T CB 1.495 70.417 68.868 0.090 0.000 0.986 296 T HN -0.061 nan 8.240 nan 0.000 0.523 297 D N 1.233 121.644 120.400 0.019 0.000 2.346 297 D HA 0.250 4.890 4.640 0.000 0.000 0.248 297 D C 1.773 178.009 176.300 -0.107 0.000 1.173 297 D CA 0.177 54.120 54.000 -0.096 0.000 0.878 297 D CB -0.535 40.273 40.800 0.014 0.000 0.919 297 D HN 0.746 nan 8.370 nan 0.000 0.513 298 A N -0.596 122.234 122.820 0.016 0.000 2.172 298 A HA -0.090 4.230 4.320 0.000 0.000 0.216 298 A C 1.505 179.023 177.584 -0.110 0.000 1.154 298 A CA 0.166 52.228 52.037 0.042 0.000 0.701 298 A CB -0.463 18.668 19.000 0.219 0.000 0.789 298 A HN 0.424 nan 8.150 nan 0.000 0.465 299 C N -1.395 117.788 119.300 -0.195 0.000 4.350 299 C HA -0.102 4.358 4.460 0.000 0.000 0.302 299 C C 0.270 175.125 174.990 -0.225 0.000 1.390 299 C CA 0.255 59.145 59.018 -0.214 0.000 2.016 299 C CB -3.189 24.446 27.740 -0.174 0.000 1.271 299 C HN 0.429 nan 8.230 nan 0.000 0.760 300 V N 1.192 120.943 119.914 -0.272 0.000 2.376 300 V HA 0.720 4.841 4.120 0.000 0.000 0.287 300 V C 0.435 176.400 176.094 -0.216 0.000 1.015 300 V CA 0.379 62.442 62.300 -0.395 0.000 0.834 300 V CB 2.077 33.333 31.823 -0.945 0.000 1.001 300 V HN 0.596 nan 8.190 nan 0.000 0.428 301 T N 3.167 117.608 114.554 -0.188 0.000 2.916 301 T HA 0.718 5.068 4.350 0.000 0.000 0.292 301 T C -3.138 171.507 174.700 -0.092 0.000 1.064 301 T CA -2.399 59.638 62.100 -0.105 0.000 1.011 301 T CB 2.708 71.510 68.868 -0.109 0.000 1.152 301 T HN 0.420 nan 8.240 nan 0.000 0.510 302 P HA 0.351 nan 4.420 nan 0.000 0.285 302 P C -0.522 176.749 177.300 -0.049 0.000 1.259 302 P CA -0.512 62.578 63.100 -0.016 0.000 0.794 302 P CB 1.056 32.773 31.700 0.028 0.000 0.940 303 V N 5.128 125.015 119.914 -0.046 0.000 2.415 303 V HA 0.084 4.204 4.120 0.000 0.000 0.267 303 V C 0.829 176.886 176.094 -0.061 0.000 1.042 303 V CA 0.008 62.265 62.300 -0.071 0.000 1.000 303 V CB -0.427 31.372 31.823 -0.040 0.000 1.015 303 V HN 0.360 nan 8.190 nan 0.000 0.478 304 L N 4.373 125.537 121.223 -0.099 0.000 2.343 304 L HA 0.777 5.117 4.340 0.000 0.000 0.275 304 L C 0.667 177.431 176.870 -0.176 0.000 1.056 304 L CA -0.403 54.379 54.840 -0.096 0.000 0.804 304 L CB 1.313 43.329 42.059 -0.073 0.000 1.203 304 L HN 0.655 nan 8.230 nan 0.000 0.440 305 A N 1.348 124.087 122.820 -0.135 0.000 2.257 305 A HA 0.276 4.596 4.320 0.000 0.000 0.289 305 A C 0.473 177.960 177.584 -0.161 0.000 1.095 305 A CA -0.356 51.560 52.037 -0.201 0.000 0.836 305 A CB 0.168 19.131 19.000 -0.061 0.000 1.111 305 A HN 0.873 nan 8.150 nan 0.000 0.497 306 W N 0.598 121.903 121.300 0.009 0.000 2.290 306 W HA -0.259 4.401 4.660 0.000 0.000 0.328 306 W C 2.617 179.140 176.519 0.007 0.000 1.272 306 W CA 1.972 59.321 57.345 0.005 0.000 1.262 306 W CB -0.746 28.717 29.460 0.004 0.000 1.151 306 W HN 0.664 nan 8.180 nan 0.000 0.473 307 S N 0.217 116.057 115.700 0.233 0.000 2.359 307 S HA -0.278 4.192 4.470 0.000 0.000 0.223 307 S C 1.431 176.082 174.600 0.085 0.000 1.039 307 S CA 1.957 60.238 58.200 0.134 0.000 1.042 307 S CB -0.676 62.585 63.200 0.101 0.000 0.915 307 S HN 0.396 nan 8.310 nan 0.000 0.439 308 E N 1.155 121.388 120.200 0.054 0.000 2.110 308 E HA -0.094 4.256 4.350 0.000 0.000 0.193 308 E C 2.352 178.967 176.600 0.026 0.000 0.988 308 E CA 0.974 57.390 56.400 0.027 0.000 0.804 308 E CB -0.277 29.424 29.700 0.003 0.000 0.745 308 E HN 0.537 nan 8.360 nan 0.000 0.458 309 A N 1.396 124.231 122.820 0.025 0.000 1.898 309 A HA -0.077 4.243 4.320 0.000 0.000 0.216 309 A C 2.385 180.002 177.584 0.056 0.000 1.181 309 A CA 1.496 53.550 52.037 0.028 0.000 0.620 309 A CB -0.594 18.415 19.000 0.016 0.000 0.819 309 A HN 0.289 nan 8.150 nan 0.000 0.442 310 A N -0.420 122.448 122.820 0.079 0.000 2.070 310 A HA -0.160 4.160 4.320 0.000 0.000 0.220 310 A C 1.721 179.331 177.584 0.043 0.000 1.159 310 A CA 1.897 53.975 52.037 0.068 0.000 0.656 310 A CB -0.529 18.517 19.000 0.077 0.000 0.800 310 A HN 0.579 nan 8.150 nan 0.000 0.453 311 N N -0.849 117.875 118.700 0.040 0.000 2.204 311 N HA 0.045 4.785 4.740 0.000 0.000 0.219 311 N C -0.055 175.472 175.510 0.028 0.000 1.151 311 N CA -0.220 52.847 53.050 0.029 0.000 0.867 311 N CB -0.332 38.172 38.487 0.028 0.000 1.043 311 N HN 0.453 nan 8.380 nan 0.000 0.516 312 N N 0.213 118.932 118.700 0.032 0.000 2.492 312 N HA -0.031 4.710 4.740 0.000 0.000 0.262 312 N C 0.482 176.018 175.510 0.043 0.000 1.202 312 N CA 0.131 53.204 53.050 0.038 0.000 0.926 312 N CB 0.699 39.213 38.487 0.045 0.000 1.078 312 N HN 0.017 nan 8.380 nan 0.000 0.454 313 D N 1.077 121.507 120.400 0.051 0.000 2.103 313 D HA -0.209 4.431 4.640 0.000 0.000 0.190 313 D C 1.283 177.622 176.300 0.066 0.000 0.997 313 D CA 1.648 55.679 54.000 0.052 0.000 0.833 313 D CB -0.461 40.374 40.800 0.057 0.000 0.961 313 D HN 0.730 nan 8.370 nan 0.000 0.447 314 H N -0.167 118.904 119.070 0.001 0.000 2.253 314 H HA -0.065 4.491 4.556 0.000 0.000 0.296 314 H C 1.882 177.210 175.328 0.000 0.000 1.074 314 H CA 1.271 57.318 56.048 -0.001 0.000 1.263 314 H CB -0.554 29.205 29.762 -0.005 0.000 1.363 314 H HN -0.017 nan 8.280 nan 0.000 0.489 315 L N 0.766 121.991 121.223 0.004 0.000 2.263 315 L HA -0.171 4.169 4.340 0.000 0.000 0.216 315 L C 2.376 179.203 176.870 -0.073 0.000 1.111 315 L CA 1.615 56.424 54.840 -0.053 0.000 0.773 315 L CB -0.438 41.636 42.059 0.026 0.000 0.906 315 L HN 0.282 nan 8.230 nan 0.000 0.439 316 K N -1.325 119.045 120.400 -0.049 0.000 2.044 316 K HA 0.004 4.324 4.320 0.000 0.000 0.204 316 K C 2.196 178.756 176.600 -0.066 0.000 1.049 316 K CA 0.958 57.221 56.287 -0.040 0.000 0.945 316 K CB -0.179 32.312 32.500 -0.014 0.000 0.724 316 K HN 0.291 nan 8.250 nan 0.000 0.440 317 A N 1.925 124.692 122.820 -0.087 0.000 1.859 317 A HA -0.197 4.123 4.320 0.000 0.000 0.217 317 A C 1.940 179.451 177.584 -0.121 0.000 1.198 317 A CA 1.511 53.493 52.037 -0.091 0.000 0.629 317 A CB -0.523 18.424 19.000 -0.088 0.000 0.830 317 A HN 0.246 nan 8.150 nan 0.000 0.446 318 R N 0.433 120.807 120.500 -0.211 0.000 2.339 318 R HA 0.022 4.362 4.340 0.000 0.000 0.199 318 R C 0.636 176.871 176.300 -0.109 0.000 1.018 318 R CA 0.720 56.714 56.100 -0.176 0.000 1.036 318 R CB -0.497 29.645 30.300 -0.264 0.000 0.899 318 R HN 0.863 nan 8.270 nan 0.000 0.473 319 S N -0.919 114.725 115.700 -0.093 0.000 3.608 319 S HA -0.190 4.280 4.470 0.000 0.000 0.382 319 S C 0.554 175.127 174.600 -0.046 0.000 0.945 319 S CA 0.977 59.143 58.200 -0.057 0.000 1.256 319 S CB -2.026 61.148 63.200 -0.044 0.000 0.913 319 S HN 0.343 nan 8.310 nan 0.000 0.518 320 T N 0.311 114.837 114.554 -0.047 0.000 2.814 320 T HA 0.176 4.526 4.350 0.000 0.000 0.254 320 T C 1.078 175.776 174.700 -0.002 0.000 1.037 320 T CA 1.073 63.160 62.100 -0.022 0.000 1.143 320 T CB -0.114 68.745 68.868 -0.015 0.000 0.866 320 T HN 1.422 nan 8.240 nan 0.000 0.431 321 V N 2.631 122.548 119.914 0.005 0.000 2.294 321 V HA 0.652 4.772 4.120 0.000 0.000 0.272 321 V C -0.247 175.850 176.094 0.004 0.000 1.027 321 V CA -1.426 60.885 62.300 0.019 0.000 0.823 321 V CB -0.444 31.407 31.823 0.048 0.000 1.030 321 V HN 0.441 nan 8.190 nan 0.000 0.457 322 I N 1.418 121.983 120.570 -0.008 0.000 2.863 322 I HA 0.747 4.917 4.170 0.000 0.000 0.311 322 I C 0.052 176.156 176.117 -0.021 0.000 1.026 322 I CA -0.520 60.768 61.300 -0.020 0.000 1.077 322 I CB 2.372 40.351 38.000 -0.036 0.000 1.262 322 I HN 0.351 nan 8.210 nan 0.000 0.461 323 T N 3.886 118.424 114.554 -0.025 0.000 2.910 323 T HA 0.594 4.944 4.350 0.000 0.000 0.323 323 T C 0.091 174.759 174.700 -0.054 0.000 1.091 323 T CA -0.397 61.690 62.100 -0.022 0.000 0.960 323 T CB 0.370 69.234 68.868 -0.007 0.000 1.024 323 T HN 0.738 nan 8.240 nan 0.000 0.509 324 A N 3.069 125.840 122.820 -0.082 0.000 2.310 324 A HA 0.528 4.848 4.320 0.000 0.000 0.299 324 A C 0.327 177.851 177.584 -0.100 0.000 1.147 324 A CA -0.925 50.977 52.037 -0.226 0.000 0.818 324 A CB -0.255 18.549 19.000 -0.328 0.000 1.096 324 A HN 0.972 nan 8.150 nan 0.000 0.495 325 H N 0.306 119.376 119.070 -0.000 0.000 2.671 325 H HA 0.128 4.684 4.556 0.000 0.000 0.236 325 H C 0.967 176.294 175.328 -0.001 0.000 0.624 325 H CA 0.827 56.875 56.048 -0.000 0.000 1.349 325 H CB -1.247 28.515 29.762 -0.000 0.000 1.417 325 H HN 1.874 nan 8.280 nan 0.000 0.445 326 G N 0.550 109.440 108.800 0.149 0.000 2.039 326 G HA2 -0.032 3.929 3.960 0.000 0.000 0.207 326 G HA3 -0.032 3.929 3.960 0.000 0.000 0.207 326 G C -0.430 174.505 174.900 0.058 0.000 1.133 326 G CA -0.045 45.111 45.100 0.093 0.000 1.296 326 G HN 0.895 nan 8.290 nan 0.000 0.459 327 V N 0.640 120.586 119.914 0.053 0.000 3.166 327 V HA 0.702 4.822 4.120 0.000 0.000 0.317 327 V C 0.403 176.507 176.094 0.017 0.000 1.136 327 V CA -0.873 61.443 62.300 0.026 0.000 1.035 327 V CB 1.285 33.115 31.823 0.012 0.000 1.110 327 V HN 0.770 nan 8.190 nan 0.000 0.450 328 Q N 1.939 121.744 119.800 0.009 0.000 2.349 328 Q HA 0.363 4.703 4.340 0.000 0.000 0.287 328 Q C -0.220 175.778 176.000 -0.003 0.000 1.044 328 Q CA 0.219 56.026 55.803 0.007 0.000 0.918 328 Q CB 0.308 29.057 28.738 0.019 0.000 1.242 328 Q HN 0.798 nan 8.270 nan 0.000 0.405 329 Q N -0.316 119.483 119.800 -0.003 0.000 2.832 329 Q HA 0.729 5.069 4.340 0.000 0.000 0.329 329 Q C -1.890 174.109 176.000 -0.001 0.000 0.816 329 Q CA -1.110 54.686 55.803 -0.011 0.000 0.804 329 Q CB 0.946 29.676 28.738 -0.014 0.000 1.376 329 Q HN 0.536 nan 8.270 nan 0.000 0.503 330 A N 0.501 123.318 122.820 -0.006 0.000 2.276 330 A HA 0.784 5.104 4.320 0.000 0.000 0.316 330 A C -0.134 177.446 177.584 -0.006 0.000 1.229 330 A CA -0.026 52.014 52.037 0.005 0.000 0.851 330 A CB 0.912 19.921 19.000 0.015 0.000 1.165 330 A HN 0.806 nan 8.150 nan 0.000 0.513 331 A N 3.817 126.634 122.820 -0.006 0.000 2.425 331 A HA 0.588 4.908 4.320 0.000 0.000 0.242 331 A C -2.107 175.475 177.584 -0.003 0.000 1.077 331 A CA -0.952 51.079 52.037 -0.010 0.000 0.781 331 A CB -0.740 18.253 19.000 -0.013 0.000 1.020 331 A HN 0.657 nan 8.150 nan 0.000 0.494 332 P HA 0.390 nan 4.420 nan 0.000 0.269 332 P C -0.449 176.867 177.300 0.027 0.000 1.211 332 P CA 0.576 63.686 63.100 0.015 0.000 0.781 332 P CB 0.606 32.325 31.700 0.032 0.000 0.877 333 A N 1.493 124.336 122.820 0.037 0.000 2.605 333 A HA 0.666 4.986 4.320 0.000 0.000 0.294 333 A C -2.690 174.926 177.584 0.053 0.000 1.062 333 A CA -0.926 51.127 52.037 0.026 0.000 0.682 333 A CB 0.373 19.376 19.000 0.006 0.000 1.278 333 A HN 0.444 nan 8.150 nan 0.000 0.410 334 P HA 0.486 nan 4.420 nan 0.000 0.297 334 P C -0.944 176.226 177.300 -0.217 0.000 1.303 334 P CA -0.404 62.607 63.100 -0.147 0.000 0.753 334 P CB 0.530 32.075 31.700 -0.258 0.000 1.281 335 R N -0.423 119.897 120.500 -0.300 0.000 2.346 335 R HA 0.527 4.867 4.340 0.000 0.000 0.311 335 R C -0.572 175.483 176.300 -0.409 0.000 0.983 335 R CA -0.369 55.607 56.100 -0.206 0.000 0.880 335 R CB 0.621 30.866 30.300 -0.092 0.000 1.100 335 R HN 0.368 nan 8.270 nan 0.000 0.453 336 F N 0.090 120.040 119.950 -0.001 0.000 2.450 336 F HA 0.156 4.683 4.527 0.000 0.000 0.332 336 F C 1.671 177.472 175.800 0.002 0.000 1.093 336 F CA -0.510 57.491 58.000 0.002 0.000 1.003 336 F CB 1.978 40.979 39.000 0.002 0.000 1.151 336 F HN 0.570 nan 8.300 nan 0.000 0.474 337 S N 1.516 117.306 115.700 0.149 0.000 2.406 337 S HA -0.038 4.432 4.470 0.000 0.000 0.224 337 S C 1.816 176.467 174.600 0.086 0.000 1.030 337 S CA 0.573 58.825 58.200 0.087 0.000 0.958 337 S CB -0.097 63.135 63.200 0.054 0.000 0.811 337 S HN 0.752 nan 8.310 nan 0.000 0.489 338 R N 1.455 122.017 120.500 0.103 0.000 2.195 338 R HA 0.080 4.420 4.340 0.000 0.000 0.197 338 R C 0.313 176.645 176.300 0.054 0.000 0.990 338 R CA 1.347 57.487 56.100 0.066 0.000 1.048 338 R CB 0.255 30.588 30.300 0.054 0.000 0.997 338 R HN 0.543 nan 8.270 nan 0.000 0.502 339 T N 0.279 114.873 114.554 0.066 0.000 3.438 339 T HA 0.394 4.744 4.350 0.000 0.000 0.244 339 T C -2.435 172.273 174.700 0.015 0.000 1.269 339 T CA -1.825 60.275 62.100 0.001 0.000 1.371 339 T CB 1.072 69.891 68.868 -0.081 0.000 1.002 339 T HN 0.026 nan 8.240 nan 0.000 0.637 340 P HA 0.293 nan 4.420 nan 0.000 0.272 340 P C -0.047 177.294 177.300 0.070 0.000 1.248 340 P CA -0.262 62.922 63.100 0.140 0.000 0.799 340 P CB 0.508 32.268 31.700 0.101 0.000 0.997 341 A N 0.798 123.676 122.820 0.096 0.000 2.366 341 A HA 0.534 4.854 4.320 0.000 0.000 0.272 341 A C 0.998 178.599 177.584 0.028 0.000 1.135 341 A CA -0.012 52.054 52.037 0.048 0.000 0.804 341 A CB -0.508 18.534 19.000 0.069 0.000 1.064 341 A HN 0.622 nan 8.150 nan 0.000 0.499 342 G N 2.158 110.965 108.800 0.012 0.000 2.716 342 G HA2 0.443 4.403 3.960 0.000 0.000 0.251 342 G HA3 0.443 4.403 3.960 0.000 0.000 0.251 342 G C -1.916 172.988 174.900 0.007 0.000 1.224 342 G CA -0.766 44.340 45.100 0.009 0.000 0.891 342 G HN 0.685 nan 8.290 nan 0.000 0.561 343 P HA 0.129 nan 4.420 nan 0.000 0.268 343 P C 0.272 177.566 177.300 -0.010 0.000 1.208 343 P CA -0.169 62.923 63.100 -0.015 0.000 0.777 343 P CB 0.757 32.445 31.700 -0.020 0.000 0.875 344 V N 0.805 120.695 119.914 -0.040 0.000 2.521 344 V HA 0.257 4.377 4.120 0.000 0.000 0.286 344 V C 0.791 176.919 176.094 0.056 0.000 1.034 344 V CA -0.390 61.902 62.300 -0.014 0.000 1.045 344 V CB -0.482 31.317 31.823 -0.041 0.000 0.974 344 V HN 0.403 nan 8.190 nan 0.000 0.480 345 R N 5.502 126.089 120.500 0.145 0.000 2.546 345 R HA 0.551 4.891 4.340 0.000 0.000 0.266 345 R C -2.274 174.201 176.300 0.292 0.000 1.086 345 R CA -1.661 54.599 56.100 0.268 0.000 1.160 345 R CB 1.037 31.407 30.300 0.117 0.000 1.138 345 R HN 0.639 nan 8.270 nan 0.000 0.567 346 P HA 0.302 nan 4.420 nan 0.000 0.281 346 P C -2.691 174.603 177.300 -0.009 0.000 1.281 346 P CA -1.915 61.156 63.100 -0.049 0.000 0.811 346 P CB 0.429 31.826 31.700 -0.505 0.000 1.154 347 P HA 0.241 nan 4.420 nan 0.000 0.272 347 P C -2.331 174.965 177.300 -0.007 0.000 1.240 347 P CA -1.307 61.812 63.100 0.032 0.000 0.791 347 P CB -1.396 30.337 31.700 0.055 0.000 0.978 348 P HA -0.040 nan 4.420 nan 0.000 0.257 348 P C 0.369 177.647 177.300 -0.036 0.000 1.189 348 P CA 0.710 63.791 63.100 -0.033 0.000 0.780 348 P CB -0.091 31.578 31.700 -0.052 0.000 0.772 349 A N 3.826 126.619 122.820 -0.044 0.000 1.972 349 A HA 0.245 4.565 4.320 0.000 0.000 0.219 349 A C 1.019 178.581 177.584 -0.037 0.000 1.169 349 A CA 1.773 53.784 52.037 -0.043 0.000 0.635 349 A CB -0.355 18.615 19.000 -0.049 0.000 0.810 349 A HN 0.576 nan 8.150 nan 0.000 0.446 350 A N -2.375 120.421 122.820 -0.040 0.000 2.589 350 A HA 0.652 4.972 4.320 0.000 0.000 0.296 350 A C -0.117 177.439 177.584 -0.046 0.000 1.062 350 A CA -0.151 51.862 52.037 -0.039 0.000 0.686 350 A CB 0.081 19.060 19.000 -0.034 0.000 1.282 350 A HN 1.529 nan 8.150 nan 0.000 0.404 351 A N 1.080 123.871 122.820 -0.048 0.000 2.540 351 A HA 0.527 4.847 4.320 0.000 0.000 0.239 351 A C 0.848 178.398 177.584 -0.056 0.000 1.061 351 A CA 0.942 52.945 52.037 -0.056 0.000 0.758 351 A CB -0.427 18.542 19.000 -0.052 0.000 0.991 351 A HN 2.086 nan 8.150 nan 0.000 0.502 352 T N 1.900 116.413 114.554 -0.068 0.000 2.845 352 T HA 0.529 4.879 4.350 0.000 0.000 0.288 352 T C -1.635 173.018 174.700 -0.077 0.000 0.980 352 T CA -1.510 60.547 62.100 -0.072 0.000 1.071 352 T CB 1.049 69.865 68.868 -0.086 0.000 0.941 352 T HN 0.409 nan 8.240 nan 0.000 0.487 353 P HA -0.130 nan 4.420 nan 0.000 0.224 353 P C 1.049 178.302 177.300 -0.079 0.000 0.880 353 P CA 1.466 64.527 63.100 -0.066 0.000 1.070 353 P CB 0.098 31.761 31.700 -0.061 0.000 0.652 354 I N -5.963 114.551 120.570 -0.094 0.000 5.212 354 I HA -0.056 4.114 4.170 0.000 0.000 0.355 354 I C 0.287 176.333 176.117 -0.118 0.000 0.746 354 I CA 0.412 61.645 61.300 -0.112 0.000 1.657 354 I CB -0.476 37.476 38.000 -0.080 0.000 2.962 354 I HN -0.138 nan 8.210 nan 0.000 0.945 355 D N 1.671 122.019 120.400 -0.087 0.000 2.340 355 D HA 0.050 4.690 4.640 0.000 0.000 0.220 355 D C 0.911 177.160 176.300 -0.085 0.000 1.039 355 D CA 0.704 54.658 54.000 -0.076 0.000 0.866 355 D CB 0.325 41.096 40.800 -0.049 0.000 0.913 355 D HN 0.477 nan 8.370 nan 0.000 0.523 356 E N 0.318 120.457 120.200 -0.101 0.000 2.394 356 E HA 0.094 4.444 4.350 0.000 0.000 0.191 356 E C 1.493 178.005 176.600 -0.147 0.000 1.044 356 E CA -0.205 56.136 56.400 -0.098 0.000 0.939 356 E CB 0.299 29.950 29.700 -0.081 0.000 1.089 356 E HN 0.521 nan 8.360 nan 0.000 0.456 357 I N -0.220 120.223 120.570 -0.211 0.000 2.373 357 I HA -0.185 3.985 4.170 0.000 0.000 0.150 357 I C 1.545 177.480 176.117 -0.303 0.000 0.990 357 I CA 1.582 62.658 61.300 -0.373 0.000 1.320 357 I CB -0.282 37.411 38.000 -0.511 0.000 1.102 357 I HN 0.133 nan 8.210 nan 0.000 0.423 358 N N -3.761 114.785 118.700 -0.257 0.000 2.459 358 N HA -0.047 4.693 4.740 0.000 0.000 0.334 358 N C -0.459 175.174 175.510 0.205 0.000 1.428 358 N CA -0.088 52.955 53.050 -0.012 0.000 2.732 358 N CB -0.124 38.404 38.487 0.068 0.000 1.877 358 N HN 0.569 nan 8.380 nan 0.000 1.133 359 W N 0.000 121.295 121.300 -0.008 0.000 2.388 359 W HA 0.000 4.660 4.660 0.000 0.000 0.303 359 W CA 0.000 57.341 57.345 -0.006 0.000 1.226 359 W CB 0.000 29.456 29.460 -0.007 0.000 1.126 359 W HN 0.000 nan 8.180 nan 0.000 0.535