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 3dy3_1_N DATA FIRST_RESID 1 DATA SEQUENCE TSIMAVTFKK GVILGADLRT TTGAYIANRV TDKLTRVHDK IWCCRSGSAA DATA SEQUENCE DTQAIADIVQ YHLELYTSQY XGTPSTETAA SVFKELCYEN KDXNLTAGII DATA SEQUENCE VAGYDNKGEV YTIPLGGSVH KLPYAIAGSG STFIYGYCDK NFRENMSKEE DATA SEQUENCE TVDFIKHSLS QAIKWDGSSG GVIRMVVLTA AXGVERL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.733 174.700 0.055 0.000 1.109 1 T CA 0.000 62.128 62.100 0.047 0.000 1.349 1 T CB 0.000 68.892 68.868 0.040 0.000 0.612 2 S N 2.309 118.036 115.700 0.045 0.000 2.733 2 S HA 0.786 5.256 4.470 -0.000 0.000 0.294 2 S C -0.580 174.035 174.600 0.025 0.000 1.149 2 S CA -0.808 57.417 58.200 0.042 0.000 1.034 2 S CB 0.485 63.715 63.200 0.050 0.000 1.015 2 S HN 0.731 nan 8.310 nan 0.000 0.486 3 I N 0.861 121.443 120.570 0.020 0.000 2.865 3 I HA 0.843 5.013 4.170 -0.000 0.000 0.302 3 I C -0.863 175.262 176.117 0.013 0.000 1.140 3 I CA -1.224 60.087 61.300 0.019 0.000 1.021 3 I CB 2.208 40.224 38.000 0.027 0.000 1.233 3 I HN 0.735 nan 8.210 nan 0.000 0.427 4 M N 3.396 123.010 119.600 0.023 0.000 2.682 4 M HA 0.924 5.404 4.480 -0.000 0.000 0.272 4 M C -2.101 174.242 176.300 0.072 0.000 1.232 4 M CA -0.642 54.682 55.300 0.041 0.000 0.849 4 M CB 2.408 35.026 32.600 0.031 0.000 1.695 4 M HN 0.852 nan 8.290 nan 0.000 0.481 5 A N 1.629 124.516 122.820 0.111 0.000 2.427 5 A HA 0.802 5.122 4.320 -0.000 0.000 0.298 5 A C -1.496 176.217 177.584 0.215 0.000 1.036 5 A CA -0.695 51.424 52.037 0.137 0.000 0.701 5 A CB 1.903 20.968 19.000 0.109 0.000 1.250 5 A HN 0.752 nan 8.150 nan 0.000 0.412 6 V N 1.978 122.050 119.914 0.263 0.000 2.588 6 V HA 0.657 4.777 4.120 -0.000 0.000 0.304 6 V C 0.462 176.788 176.094 0.387 0.000 1.042 6 V CA -0.330 62.193 62.300 0.370 0.000 0.877 6 V CB 1.886 33.987 31.823 0.463 0.000 0.996 6 V HN 1.082 nan 8.190 nan 0.000 0.425 7 T N 2.048 116.831 114.554 0.383 0.000 2.909 7 T HA 0.820 5.170 4.350 -0.000 0.000 0.289 7 T C -0.648 174.307 174.700 0.424 0.000 1.005 7 T CA -0.356 61.940 62.100 0.327 0.000 1.084 7 T CB 1.240 70.228 68.868 0.200 0.000 0.975 7 T HN 0.801 nan 8.240 nan 0.000 0.509 8 F N -1.063 118.965 119.950 0.130 0.000 2.715 8 F HA 0.596 5.123 4.527 -0.000 0.000 0.318 8 F C -0.160 175.674 175.800 0.055 0.000 1.141 8 F CA -1.841 56.200 58.000 0.068 0.000 0.950 8 F CB 1.529 40.556 39.000 0.045 0.000 1.374 8 F HN 0.680 nan 8.300 nan 0.000 0.477 9 K N 2.685 123.089 120.400 0.007 0.000 2.281 9 K HA -0.160 4.160 4.320 -0.000 0.000 0.255 9 K C 0.845 177.258 176.600 -0.312 0.000 1.300 9 K CA 0.163 56.394 56.287 -0.093 0.000 1.289 9 K CB 0.245 32.782 32.500 0.061 0.000 0.778 9 K HN 0.720 nan 8.250 nan 0.000 0.500 10 K N 3.472 123.796 120.400 -0.127 0.000 3.060 10 K HA -0.158 4.162 4.320 -0.000 0.000 0.226 10 K C 0.319 176.864 176.600 -0.092 0.000 0.756 10 K CA 1.074 57.315 56.287 -0.077 0.000 0.933 10 K CB -0.656 31.815 32.500 -0.049 0.000 0.792 10 K HN 0.776 nan 8.250 nan 0.000 0.441 11 G N -1.181 107.010 108.800 -1.015 0.000 3.244 11 G HA2 0.408 4.368 3.960 -0.000 0.000 0.197 11 G HA3 0.408 4.368 3.960 -0.000 0.000 0.197 11 G C -0.795 173.981 174.900 -0.207 0.000 1.531 11 G CA 0.083 45.002 45.100 -0.301 0.000 0.747 11 G HN 0.178 nan 8.290 nan 0.000 0.763 12 V N -0.251 119.754 119.914 0.152 0.000 3.204 12 V HA 0.658 4.778 4.120 -0.000 0.000 0.298 12 V C -1.774 174.544 176.094 0.374 0.000 1.328 12 V CA -0.786 61.726 62.300 0.354 0.000 1.035 12 V CB 2.154 34.112 31.823 0.225 0.000 1.095 12 V HN 0.507 nan 8.190 nan 0.000 0.442 13 I N 4.950 125.698 120.570 0.297 0.000 2.582 13 I HA 0.499 4.669 4.170 -0.000 0.000 0.292 13 I C -1.433 174.742 176.117 0.097 0.000 1.066 13 I CA -0.749 60.633 61.300 0.137 0.000 1.053 13 I CB 2.001 40.034 38.000 0.054 0.000 1.241 13 I HN 0.350 nan 8.210 nan 0.000 0.421 14 L N 4.895 126.138 121.223 0.034 0.000 2.307 14 L HA 0.809 5.149 4.340 -0.000 0.000 0.284 14 L C 0.408 177.289 176.870 0.018 0.000 1.023 14 L CA 0.020 54.886 54.840 0.044 0.000 0.810 14 L CB 1.672 43.765 42.059 0.056 0.000 1.231 14 L HN 0.684 nan 8.230 nan 0.000 0.423 15 G N 1.199 110.015 108.800 0.027 0.000 2.563 15 G HA2 0.909 4.869 3.960 -0.000 0.000 0.302 15 G HA3 0.909 4.869 3.960 -0.000 0.000 0.302 15 G C -1.770 173.139 174.900 0.016 0.000 1.301 15 G CA -0.305 44.800 45.100 0.007 0.000 0.965 15 G HN 0.849 nan 8.290 nan 0.000 0.480 16 A N 1.030 123.856 122.820 0.010 0.000 2.599 16 A HA 0.633 4.953 4.320 -0.000 0.000 0.294 16 A C -1.126 176.462 177.584 0.007 0.000 1.055 16 A CA -0.687 51.360 52.037 0.017 0.000 0.683 16 A CB 1.350 20.373 19.000 0.037 0.000 1.278 16 A HN 0.933 nan 8.150 nan 0.000 0.412 17 D N 0.955 121.360 120.400 0.007 0.000 2.302 17 D HA 0.564 5.204 4.640 -0.000 0.000 0.248 17 D C 0.953 177.256 176.300 0.005 0.000 1.094 17 D CA 0.388 54.387 54.000 -0.002 0.000 0.897 17 D CB 1.588 42.387 40.800 -0.001 0.000 1.200 17 D HN 0.905 nan 8.370 nan 0.000 0.429 18 L N -0.135 120.994 121.223 -0.157 0.000 2.821 18 L HA -0.186 4.154 4.340 -0.000 0.000 0.455 18 L C 0.460 177.252 176.870 -0.130 0.000 2.701 18 L CA 0.774 55.493 54.840 -0.201 0.000 2.712 18 L CB -0.997 40.790 42.059 -0.453 0.000 2.185 18 L HN 0.895 nan 8.230 nan 0.000 0.828 19 R N 0.353 120.847 120.500 -0.010 0.000 8.268 19 R HA 0.146 4.486 4.340 -0.000 0.000 0.243 19 R C -1.563 174.731 176.300 -0.011 0.000 0.833 19 R CA 0.607 56.694 56.100 -0.022 0.000 2.008 19 R CB -0.384 29.899 30.300 -0.028 0.000 1.137 19 R HN 0.421 nan 8.270 nan 0.000 0.986 20 T N 1.108 115.648 114.554 -0.023 0.000 2.879 20 T HA 0.667 5.017 4.350 -0.000 0.000 0.290 20 T C -0.136 174.548 174.700 -0.025 0.000 0.993 20 T CA -0.199 61.897 62.100 -0.008 0.000 0.975 20 T CB 1.878 70.750 68.868 0.006 0.000 0.981 20 T HN 0.669 nan 8.240 nan 0.000 0.439 21 T N -1.059 113.493 114.554 -0.003 0.000 2.930 21 T HA 0.803 5.153 4.350 -0.000 0.000 0.290 21 T C -0.203 174.526 174.700 0.048 0.000 1.052 21 T CA -0.940 61.162 62.100 0.004 0.000 1.017 21 T CB 1.723 70.596 68.868 0.008 0.000 1.137 21 T HN 0.913 nan 8.240 nan 0.000 0.511 22 T N -1.216 113.392 114.554 0.089 0.000 3.068 22 T HA 0.665 5.015 4.350 -0.000 0.000 0.364 22 T C 0.853 175.620 174.700 0.112 0.000 1.161 22 T CA 0.012 62.173 62.100 0.102 0.000 1.155 22 T CB 0.236 69.181 68.868 0.129 0.000 1.060 22 T HN 1.859 nan 8.240 nan 0.000 0.513 23 G N 2.853 111.700 108.800 0.080 0.000 2.527 23 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.262 23 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.262 23 G C 0.883 175.831 174.900 0.080 0.000 1.153 23 G CA 0.011 45.156 45.100 0.075 0.000 0.954 23 G HN 1.686 nan 8.290 nan 0.000 0.552 24 A N -0.913 121.963 122.820 0.094 0.000 2.308 24 A HA 0.592 4.912 4.320 -0.000 0.000 0.217 24 A C 0.628 178.282 177.584 0.117 0.000 1.216 24 A CA 1.118 53.206 52.037 0.085 0.000 0.864 24 A CB -0.015 19.029 19.000 0.073 0.000 0.902 24 A HN 1.499 nan 8.150 nan 0.000 0.499 25 Y N 0.549 120.857 120.300 0.014 0.000 2.316 25 Y HA 0.508 5.058 4.550 -0.000 0.000 0.331 25 Y C -0.101 175.806 175.900 0.012 0.000 1.083 25 Y CA -1.258 56.848 58.100 0.011 0.000 1.206 25 Y CB 0.436 38.902 38.460 0.010 0.000 1.195 25 Y HN 0.140 nan 8.280 nan 0.000 0.497 26 I N 7.785 127.948 120.570 -0.679 0.000 2.278 26 I HA 0.162 4.332 4.170 -0.000 0.000 0.296 26 I C 1.097 176.765 176.117 -0.749 0.000 1.121 26 I CA 0.050 61.043 61.300 -0.512 0.000 1.267 26 I CB 0.649 38.449 38.000 -0.334 0.000 1.447 26 I HN 0.912 nan 8.210 nan 0.000 0.509 27 A N 5.584 128.189 122.820 -0.358 0.000 1.902 27 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 27 A C 1.112 178.643 177.584 -0.090 0.000 1.181 27 A CA 1.454 53.423 52.037 -0.113 0.000 0.623 27 A CB -0.101 18.934 19.000 0.059 0.000 0.818 27 A HN 0.677 nan 8.150 nan 0.000 0.443 28 N N -1.239 117.407 118.700 -0.091 0.000 2.430 28 N HA 0.250 4.990 4.740 -0.000 0.000 0.290 28 N C 0.220 175.689 175.510 -0.069 0.000 1.063 28 N CA -0.405 52.612 53.050 -0.054 0.000 0.883 28 N CB 1.483 39.961 38.487 -0.014 0.000 1.465 28 N HN 0.411 nan 8.380 nan 0.000 0.493 29 R N 1.264 121.724 120.500 -0.066 0.000 2.362 29 R HA 0.189 4.529 4.340 -0.000 0.000 0.227 29 R C 0.331 176.610 176.300 -0.035 0.000 0.905 29 R CA 0.233 56.296 56.100 -0.061 0.000 1.067 29 R CB -0.080 30.177 30.300 -0.072 0.000 1.078 29 R HN 0.185 nan 8.270 nan 0.000 0.516 30 V N -1.674 118.227 119.914 -0.021 0.000 2.838 30 V HA 0.317 4.437 4.120 -0.000 0.000 0.363 30 V C -0.191 175.907 176.094 0.005 0.000 1.324 30 V CA -0.767 61.528 62.300 -0.008 0.000 1.220 30 V CB 0.254 32.074 31.823 -0.005 0.000 1.328 30 V HN 0.025 nan 8.190 nan 0.000 0.595 31 T N 1.967 116.524 114.554 0.005 0.000 2.903 31 T HA 0.205 4.555 4.350 -0.000 0.000 0.314 31 T C -0.180 174.539 174.700 0.032 0.000 1.078 31 T CA 0.846 62.957 62.100 0.019 0.000 1.114 31 T CB 0.971 69.849 68.868 0.018 0.000 0.987 31 T HN 0.661 nan 8.240 nan 0.000 0.548 32 D N 0.987 121.415 120.400 0.046 0.000 2.472 32 D HA 0.233 4.873 4.640 -0.000 0.000 0.234 32 D C 0.408 176.756 176.300 0.081 0.000 1.088 32 D CA -0.638 53.403 54.000 0.068 0.000 0.882 32 D CB 0.607 41.456 40.800 0.082 0.000 1.037 32 D HN 0.370 nan 8.370 nan 0.000 0.520 33 K N 2.483 122.931 120.400 0.080 0.000 2.444 33 K HA 0.204 4.524 4.320 -0.000 0.000 0.193 33 K C 0.306 176.979 176.600 0.122 0.000 1.024 33 K CA 0.084 56.422 56.287 0.085 0.000 1.077 33 K CB 0.514 33.052 32.500 0.063 0.000 0.833 33 K HN 0.345 nan 8.250 nan 0.000 0.517 34 L N 2.154 123.479 121.223 0.170 0.000 2.288 34 L HA 0.190 4.530 4.340 -0.000 0.000 0.283 34 L C -0.358 176.736 176.870 0.372 0.000 1.072 34 L CA -0.321 54.689 54.840 0.284 0.000 0.862 34 L CB 0.876 43.102 42.059 0.279 0.000 1.245 34 L HN -0.047 nan 8.230 nan 0.000 0.432 35 T N 2.735 117.445 114.554 0.259 0.000 2.829 35 T HA 0.322 4.672 4.350 -0.000 0.000 0.282 35 T C 0.101 174.704 174.700 -0.163 0.000 0.990 35 T CA -0.541 61.600 62.100 0.069 0.000 1.028 35 T CB 1.744 70.656 68.868 0.074 0.000 0.951 35 T HN 0.394 nan 8.240 nan 0.000 0.460 36 R N 2.573 122.672 120.500 -0.668 0.000 2.221 36 R HA 0.374 4.714 4.340 -0.000 0.000 0.327 36 R C 0.793 176.814 176.300 -0.465 0.000 1.033 36 R CA -0.185 55.213 56.100 -1.171 0.000 0.887 36 R CB 0.662 30.001 30.300 -1.601 0.000 1.057 36 R HN 0.603 nan 8.270 nan 0.000 0.455 37 V N 0.301 120.059 119.914 -0.259 0.000 3.645 37 V HA 0.329 4.449 4.120 -0.000 0.000 0.275 37 V C -0.086 176.036 176.094 0.046 0.000 1.356 37 V CA 0.129 62.407 62.300 -0.037 0.000 1.051 37 V CB -0.250 31.640 31.823 0.111 0.000 0.828 37 V HN 0.820 nan 8.190 nan 0.000 0.441 38 H N -1.102 117.894 119.070 -0.124 0.000 2.987 38 H HA 0.311 4.867 4.556 -0.000 0.000 0.316 38 H C 0.264 175.604 175.328 0.020 0.000 1.380 38 H CA -0.091 55.937 56.048 -0.033 0.000 1.160 38 H CB 1.368 31.144 29.762 0.023 0.000 1.865 38 H HN -0.083 nan 8.280 nan 0.000 0.521 39 D N 1.401 121.607 120.400 -0.325 0.000 2.192 39 D HA -0.182 4.458 4.640 -0.000 0.000 0.189 39 D C 0.170 176.652 176.300 0.304 0.000 1.007 39 D CA 1.692 55.681 54.000 -0.017 0.000 0.859 39 D CB 0.242 40.989 40.800 -0.089 0.000 0.936 39 D HN 0.365 nan 8.370 nan 0.000 0.447 40 K N -0.274 120.345 120.400 0.365 0.000 2.896 40 K HA 0.362 4.682 4.320 -0.000 0.000 0.210 40 K C -0.403 176.479 176.600 0.471 0.000 1.116 40 K CA -0.075 56.478 56.287 0.443 0.000 1.050 40 K CB 1.204 33.926 32.500 0.370 0.000 0.812 40 K HN 0.068 nan 8.250 nan 0.000 0.462 41 I N 0.790 121.666 120.570 0.511 0.000 2.500 41 I HA 0.361 4.531 4.170 -0.000 0.000 0.286 41 I C -1.188 175.188 176.117 0.432 0.000 1.063 41 I CA -0.816 60.736 61.300 0.419 0.000 1.062 41 I CB 1.018 39.177 38.000 0.266 0.000 1.223 41 I HN -0.004 nan 8.210 nan 0.000 0.435 42 W N 5.694 127.086 121.300 0.153 0.000 2.967 42 W HA 0.740 5.400 4.660 0.000 0.000 0.342 42 W C -0.365 176.212 176.519 0.096 0.000 1.162 42 W CA -0.732 56.692 57.345 0.133 0.000 1.085 42 W CB 1.497 31.022 29.460 0.109 0.000 1.460 42 W HN 0.584 nan 8.180 nan 0.000 0.584 43 C N -0.792 118.687 119.300 0.299 0.000 3.090 43 C HA 0.854 5.314 4.460 -0.000 0.000 0.305 43 C C -0.740 174.318 174.990 0.113 0.000 1.292 43 C CA -1.095 57.982 59.018 0.098 0.000 1.482 43 C CB 0.729 28.400 27.740 -0.116 0.000 1.897 43 C HN 0.646 nan 8.230 nan 0.000 0.469 44 C N 2.167 121.491 119.300 0.040 0.000 2.303 44 C HA 0.728 5.188 4.460 -0.000 0.000 0.326 44 C C 0.368 175.368 174.990 0.017 0.000 1.285 44 C CA -0.335 58.714 59.018 0.053 0.000 1.675 44 C CB 0.081 27.848 27.740 0.044 0.000 2.289 44 C HN 0.935 nan 8.230 nan 0.000 0.512 45 R N 2.068 122.593 120.500 0.043 0.000 2.346 45 R HA 0.670 5.010 4.340 -0.000 0.000 0.311 45 R C -0.214 176.110 176.300 0.039 0.000 0.983 45 R CA 0.083 56.207 56.100 0.040 0.000 0.880 45 R CB 1.682 32.020 30.300 0.064 0.000 1.100 45 R HN 0.910 nan 8.270 nan 0.000 0.453 46 S N 0.757 116.477 115.700 0.035 0.000 2.564 46 S HA 0.874 5.344 4.470 -0.000 0.000 0.274 46 S C 0.045 174.669 174.600 0.040 0.000 1.124 46 S CA -0.094 58.127 58.200 0.036 0.000 0.869 46 S CB 2.378 65.597 63.200 0.031 0.000 1.105 46 S HN 0.969 nan 8.310 nan 0.000 0.472 47 G N 1.279 110.103 108.800 0.039 0.000 2.451 47 G HA2 0.067 4.027 3.960 -0.000 0.000 0.208 47 G HA3 0.067 4.027 3.960 -0.000 0.000 0.208 47 G C -0.095 174.830 174.900 0.041 0.000 1.248 47 G CA -0.265 44.859 45.100 0.040 0.000 0.989 47 G HN 2.000 nan 8.290 nan 0.000 0.559 48 S N 0.868 116.593 115.700 0.042 0.000 2.515 48 S HA 0.492 4.962 4.470 -0.000 0.000 0.285 48 S C 1.763 176.390 174.600 0.045 0.000 1.265 48 S CA 0.753 58.978 58.200 0.041 0.000 1.079 48 S CB 0.754 63.977 63.200 0.038 0.000 0.877 48 S HN 2.147 nan 8.310 nan 0.000 0.493 49 A N 5.693 128.538 122.820 0.043 0.000 1.933 49 A HA 0.088 4.408 4.320 -0.000 0.000 0.218 49 A C 2.404 180.015 177.584 0.044 0.000 1.175 49 A CA 1.774 53.838 52.037 0.045 0.000 0.628 49 A CB -1.320 17.704 19.000 0.041 0.000 0.814 49 A HN 1.227 nan 8.150 nan 0.000 0.444 50 A N 0.110 122.953 122.820 0.039 0.000 1.877 50 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 50 A C 1.809 179.417 177.584 0.040 0.000 1.186 50 A CA 1.934 53.992 52.037 0.035 0.000 0.620 50 A CB -0.605 18.412 19.000 0.029 0.000 0.822 50 A HN 0.454 nan 8.150 nan 0.000 0.443 51 D N -0.333 120.094 120.400 0.044 0.000 2.084 51 D HA -0.132 4.508 4.640 -0.000 0.000 0.194 51 D C 2.407 178.750 176.300 0.072 0.000 0.990 51 D CA 2.424 56.456 54.000 0.052 0.000 0.826 51 D CB -0.830 40.001 40.800 0.051 0.000 0.971 51 D HN 0.608 nan 8.370 nan 0.000 0.453 52 T N -1.339 113.263 114.554 0.080 0.000 2.821 52 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 52 T C 1.929 176.698 174.700 0.115 0.000 1.046 52 T CA 1.061 63.227 62.100 0.111 0.000 1.139 52 T CB -0.316 68.610 68.868 0.097 0.000 0.871 52 T HN 0.144 nan 8.240 nan 0.000 0.454 53 Q N 0.946 120.794 119.800 0.081 0.000 2.050 53 Q HA 0.065 4.405 4.340 -0.000 0.000 0.202 53 Q C 2.861 178.895 176.000 0.057 0.000 0.980 53 Q CA 1.489 57.332 55.803 0.067 0.000 0.840 53 Q CB -0.468 28.298 28.738 0.047 0.000 0.898 53 Q HN 0.730 nan 8.270 nan 0.000 0.424 54 A N 0.818 123.667 122.820 0.048 0.000 1.902 54 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 54 A C 2.013 179.620 177.584 0.038 0.000 1.181 54 A CA 1.130 53.185 52.037 0.031 0.000 0.623 54 A CB -0.612 18.403 19.000 0.025 0.000 0.818 54 A HN 0.303 nan 8.150 nan 0.000 0.443 55 I N -0.412 120.199 120.570 0.069 0.000 2.202 55 I HA -0.267 3.903 4.170 -0.000 0.000 0.242 55 I C 3.003 179.138 176.117 0.030 0.000 1.091 55 I CA 1.059 62.404 61.300 0.075 0.000 1.368 55 I CB -0.370 37.728 38.000 0.164 0.000 1.058 55 I HN 0.365 nan 8.210 nan 0.000 0.410 56 A N 0.533 123.428 122.820 0.126 0.000 1.902 56 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 56 A C 1.935 179.525 177.584 0.010 0.000 1.181 56 A CA 2.099 54.207 52.037 0.117 0.000 0.623 56 A CB -0.642 18.482 19.000 0.208 0.000 0.818 56 A HN 0.341 nan 8.150 nan 0.000 0.443 57 D N 0.021 120.435 120.400 0.023 0.000 2.116 57 D HA -0.152 4.488 4.640 -0.000 0.000 0.193 57 D C 1.790 178.099 176.300 0.014 0.000 0.998 57 D CA 1.325 55.331 54.000 0.010 0.000 0.836 57 D CB -0.368 40.433 40.800 0.002 0.000 0.951 57 D HN 0.519 nan 8.370 nan 0.000 0.449 58 I N 0.175 120.748 120.570 0.006 0.000 2.252 58 I HA -0.211 3.959 4.170 -0.000 0.000 0.245 58 I C 2.361 178.552 176.117 0.123 0.000 1.102 58 I CA 0.477 61.807 61.300 0.050 0.000 1.385 58 I CB 0.032 38.065 38.000 0.054 0.000 1.064 58 I HN -0.107 nan 8.210 nan 0.000 0.414 59 V N 0.447 120.325 119.914 -0.061 0.000 2.343 59 V HA -0.340 3.780 4.120 -0.000 0.000 0.247 59 V C 2.456 178.506 176.094 -0.074 0.000 1.051 59 V CA 2.177 64.358 62.300 -0.199 0.000 1.036 59 V CB -0.696 30.623 31.823 -0.840 0.000 0.654 59 V HN 0.531 nan 8.190 nan 0.000 0.451 60 Q N -0.722 119.050 119.800 -0.047 0.000 2.135 60 Q HA -0.291 4.049 4.340 -0.000 0.000 0.204 60 Q C 2.230 178.246 176.000 0.027 0.000 0.981 60 Q CA 2.480 58.283 55.803 0.001 0.000 0.856 60 Q CB -0.396 28.342 28.738 0.000 0.000 0.902 60 Q HN 0.795 nan 8.270 nan 0.000 0.425 61 Y N 0.149 120.408 120.300 -0.068 0.000 2.145 61 Y HA -0.275 4.275 4.550 -0.000 0.000 0.286 61 Y C 2.106 177.954 175.900 -0.086 0.000 1.145 61 Y CA 2.152 60.191 58.100 -0.101 0.000 1.148 61 Y CB -0.562 37.791 38.460 -0.179 0.000 0.981 61 Y HN 0.259 nan 8.280 nan 0.000 0.507 62 H N 0.398 119.291 119.070 -0.293 0.000 2.352 62 H HA -0.147 4.409 4.556 -0.000 0.000 0.299 62 H C 2.311 177.516 175.328 -0.205 0.000 1.097 62 H CA 2.127 57.980 56.048 -0.326 0.000 1.311 62 H CB -0.323 29.379 29.762 -0.101 0.000 1.377 62 H HN 0.416 nan 8.280 nan 0.000 0.504 63 L N 0.270 121.483 121.223 -0.017 0.000 2.156 63 L HA -0.108 4.231 4.340 -0.000 0.000 0.208 63 L C 2.588 179.481 176.870 0.038 0.000 1.095 63 L CA 1.028 55.853 54.840 -0.025 0.000 0.770 63 L CB -0.326 41.686 42.059 -0.078 0.000 0.914 63 L HN 0.262 nan 8.230 nan 0.000 0.439 64 E N 0.812 121.007 120.200 -0.009 0.000 2.077 64 E HA -0.268 4.082 4.350 -0.000 0.000 0.193 64 E C 2.206 178.766 176.600 -0.067 0.000 0.989 64 E CA 1.147 57.548 56.400 0.001 0.000 0.800 64 E CB -0.009 29.671 29.700 -0.033 0.000 0.746 64 E HN 0.265 nan 8.360 nan 0.000 0.452 65 L N 0.221 121.322 121.223 -0.203 0.000 2.072 65 L HA -0.103 4.237 4.340 -0.000 0.000 0.205 65 L C 2.179 178.964 176.870 -0.143 0.000 1.079 65 L CA 1.774 56.481 54.840 -0.221 0.000 0.752 65 L CB -0.872 40.957 42.059 -0.384 0.000 0.906 65 L HN 0.312 nan 8.230 nan 0.000 0.436 66 Y N -0.023 120.182 120.300 -0.157 0.000 2.128 66 Y HA -0.320 4.230 4.550 0.000 0.000 0.284 66 Y C 2.335 178.157 175.900 -0.130 0.000 1.154 66 Y CA 2.530 60.587 58.100 -0.071 0.000 1.149 66 Y CB -0.484 37.991 38.460 0.025 0.000 0.976 66 Y HN 0.215 nan 8.280 nan 0.000 0.505 67 T N -0.614 114.040 114.554 0.166 0.000 2.708 67 T HA -0.195 4.155 4.350 -0.000 0.000 0.266 67 T C 2.033 176.691 174.700 -0.070 0.000 1.037 67 T CA 1.612 63.778 62.100 0.109 0.000 1.146 67 T CB -0.525 68.457 68.868 0.191 0.000 0.865 67 T HN 0.343 nan 8.240 nan 0.000 0.435 68 S N 1.545 117.176 115.700 -0.115 0.000 2.402 68 S HA -0.185 4.285 4.470 -0.000 0.000 0.233 68 S C 2.143 176.587 174.600 -0.261 0.000 1.030 68 S CA 1.327 59.436 58.200 -0.152 0.000 1.003 68 S CB -0.276 62.836 63.200 -0.146 0.000 0.813 68 S HN 0.637 nan 8.310 nan 0.000 0.477 69 Q N -1.597 117.903 119.800 -0.500 0.000 2.390 69 Q HA 0.213 4.553 4.340 -0.000 0.000 0.216 69 Q C -0.106 175.427 176.000 -0.778 0.000 0.916 69 Q CA 0.455 55.790 55.803 -0.780 0.000 0.911 69 Q CB 0.330 28.275 28.738 -1.322 0.000 1.035 69 Q HN 0.574 nan 8.270 nan 0.000 0.541 73 T N 3.262 117.931 114.554 0.191 0.000 2.871 73 T HA 0.402 4.752 4.350 -0.000 0.000 0.296 73 T C -1.872 172.918 174.700 0.151 0.000 0.998 73 T CA 0.153 62.351 62.100 0.164 0.000 1.162 73 T CB 0.905 69.866 68.868 0.155 0.000 0.947 73 T HN 0.471 nan 8.240 nan 0.000 0.536 74 P HA 0.262 nan 4.420 nan 0.000 0.282 74 P C -0.205 176.955 177.300 -0.235 0.000 1.249 74 P CA -0.653 62.228 63.100 -0.365 0.000 0.806 74 P CB 0.934 32.150 31.700 -0.808 0.000 0.984 75 S N 0.966 116.549 115.700 -0.196 0.000 2.634 75 S HA 0.135 4.605 4.470 -0.000 0.000 0.261 75 S C 1.307 175.835 174.600 -0.120 0.000 1.271 75 S CA -0.068 58.066 58.200 -0.109 0.000 0.985 75 S CB -0.335 62.820 63.200 -0.075 0.000 0.968 75 S HN 0.461 nan 8.310 nan 0.000 0.568 76 T N 0.512 115.044 114.554 -0.037 0.000 2.857 76 T HA -0.060 4.290 4.350 -0.000 0.000 0.266 76 T C 1.665 176.266 174.700 -0.165 0.000 1.048 76 T CA 1.492 63.595 62.100 0.005 0.000 1.139 76 T CB -0.504 68.461 68.868 0.162 0.000 0.874 76 T HN 0.816 nan 8.240 nan 0.000 0.455 77 E N 0.549 120.636 120.200 -0.189 0.000 2.085 77 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 77 E C 2.050 178.431 176.600 -0.366 0.000 0.994 77 E CA 1.353 57.500 56.400 -0.422 0.000 0.801 77 E CB -0.061 29.554 29.700 -0.142 0.000 0.743 77 E HN 0.344 nan 8.360 nan 0.000 0.453 78 T N 0.321 114.718 114.554 -0.261 0.000 2.746 78 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 78 T C 1.779 176.326 174.700 -0.256 0.000 1.039 78 T CA 1.241 63.178 62.100 -0.270 0.000 1.142 78 T CB -0.246 68.395 68.868 -0.378 0.000 0.866 78 T HN 0.348 nan 8.240 nan 0.000 0.444 79 A N 1.290 123.978 122.820 -0.220 0.000 1.933 79 A HA 0.177 4.497 4.320 -0.000 0.000 0.218 79 A C 2.604 180.209 177.584 0.035 0.000 1.175 79 A CA 1.759 53.743 52.037 -0.088 0.000 0.628 79 A CB -0.983 18.021 19.000 0.007 0.000 0.814 79 A HN 0.501 nan 8.150 nan 0.000 0.444 80 A N -0.953 121.785 122.820 -0.137 0.000 1.969 80 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 80 A C 2.437 179.969 177.584 -0.086 0.000 1.169 80 A CA 2.004 53.954 52.037 -0.145 0.000 0.635 80 A CB -0.843 17.777 19.000 -0.633 0.000 0.810 80 A HN 0.516 nan 8.150 nan 0.000 0.445 81 S N -0.594 115.006 115.700 -0.165 0.000 2.356 81 S HA -0.131 4.339 4.470 -0.000 0.000 0.223 81 S C 1.927 176.476 174.600 -0.085 0.000 1.032 81 S CA 1.671 59.794 58.200 -0.128 0.000 1.005 81 S CB -0.447 62.662 63.200 -0.152 0.000 0.867 81 S HN 0.309 nan 8.310 nan 0.000 0.449 82 V N 1.104 120.950 119.914 -0.114 0.000 2.295 82 V HA -0.107 4.013 4.120 -0.000 0.000 0.246 82 V C 2.084 178.120 176.094 -0.098 0.000 1.049 82 V CA 1.900 64.100 62.300 -0.167 0.000 1.024 82 V CB -0.922 30.746 31.823 -0.258 0.000 0.648 82 V HN 0.458 nan 8.190 nan 0.000 0.447 83 F N 0.789 120.703 119.950 -0.061 0.000 2.095 83 F HA -0.199 4.328 4.527 0.000 0.000 0.298 83 F C 2.541 178.338 175.800 -0.004 0.000 1.104 83 F CA 2.222 60.213 58.000 -0.015 0.000 1.232 83 F CB -0.459 38.535 39.000 -0.009 0.000 0.987 83 F HN 0.040 nan 8.300 nan 0.000 0.475 84 K N 0.629 121.136 120.400 0.180 0.000 2.026 84 K HA -0.238 4.082 4.320 -0.000 0.000 0.208 84 K C 2.039 178.698 176.600 0.098 0.000 1.048 84 K CA 1.823 58.172 56.287 0.103 0.000 0.929 84 K CB -0.375 32.135 32.500 0.016 0.000 0.713 84 K HN 0.141 nan 8.250 nan 0.000 0.439 85 E N 1.051 121.278 120.200 0.046 0.000 2.085 85 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 85 E C 2.142 178.796 176.600 0.089 0.000 0.994 85 E CA 1.361 57.793 56.400 0.054 0.000 0.801 85 E CB -0.255 29.433 29.700 -0.020 0.000 0.743 85 E HN 0.354 nan 8.360 nan 0.000 0.453 86 L N -0.768 120.491 121.223 0.060 0.000 2.027 86 L HA -0.224 4.116 4.340 -0.000 0.000 0.206 86 L C 2.565 179.493 176.870 0.096 0.000 1.074 86 L CA 1.185 56.065 54.840 0.066 0.000 0.745 86 L CB -0.405 41.681 42.059 0.046 0.000 0.898 86 L HN 0.286 nan 8.230 nan 0.000 0.433 87 C N -1.603 117.778 119.300 0.135 0.000 2.435 87 C HA -0.181 4.279 4.460 -0.000 0.000 0.279 87 C C 2.672 177.746 174.990 0.139 0.000 1.321 87 C CA 0.333 59.432 59.018 0.135 0.000 1.752 87 C CB -0.737 27.096 27.740 0.156 0.000 1.959 87 C HN 0.513 nan 8.230 nan 0.000 0.500 88 Y N 1.798 122.117 120.300 0.032 0.000 2.153 88 Y HA -0.079 4.471 4.550 -0.000 0.000 0.289 88 Y C 2.456 178.365 175.900 0.016 0.000 1.119 88 Y CA 1.725 59.837 58.100 0.020 0.000 1.116 88 Y CB -0.259 38.206 38.460 0.008 0.000 1.004 88 Y HN 0.081 nan 8.280 nan 0.000 0.501 89 E N 0.631 120.848 120.200 0.028 0.000 2.209 89 E HA -0.172 4.178 4.350 -0.000 0.000 0.196 89 E C 0.542 177.086 176.600 -0.094 0.000 0.993 89 E CA 1.253 57.614 56.400 -0.065 0.000 0.819 89 E CB -0.235 29.494 29.700 0.049 0.000 0.745 89 E HN 0.455 nan 8.360 nan 0.000 0.477 90 N N -0.139 118.531 118.700 -0.049 0.000 2.338 90 N HA 0.015 4.755 4.740 -0.000 0.000 0.251 90 N C 0.574 176.061 175.510 -0.038 0.000 1.199 90 N CA 0.049 53.078 53.050 -0.035 0.000 0.879 90 N CB 0.587 39.076 38.487 0.003 0.000 1.159 90 N HN 0.253 nan 8.380 nan 0.000 0.514 91 K N -0.487 119.865 120.400 -0.081 0.000 2.218 91 K HA -0.080 4.240 4.320 -0.000 0.000 0.205 91 K C 0.270 176.847 176.600 -0.039 0.000 1.046 91 K CA 0.880 57.134 56.287 -0.055 0.000 0.933 91 K CB 0.122 32.562 32.500 -0.099 0.000 0.728 91 K HN -0.054 nan 8.250 nan 0.000 0.454 95 L N 0.409 121.640 121.223 0.014 0.000 2.434 95 L HA 0.585 4.925 4.340 -0.000 0.000 0.260 95 L C -0.524 176.365 176.870 0.031 0.000 0.983 95 L CA -0.422 54.434 54.840 0.028 0.000 0.820 95 L CB 2.586 44.668 42.059 0.039 0.000 1.361 95 L HN -0.152 nan 8.230 nan 0.000 0.410 96 T N 1.642 116.218 114.554 0.037 0.000 3.305 96 T HA 0.607 4.957 4.350 -0.000 0.000 0.348 96 T C -0.576 174.151 174.700 0.046 0.000 1.394 96 T CA -0.400 61.723 62.100 0.037 0.000 1.549 96 T CB 0.980 69.866 68.868 0.031 0.000 0.962 96 T HN 0.583 nan 8.240 nan 0.000 0.609 97 A N 1.385 124.238 122.820 0.055 0.000 2.343 97 A HA 0.849 5.169 4.320 -0.000 0.000 0.308 97 A C 0.235 177.853 177.584 0.057 0.000 1.092 97 A CA -0.894 51.181 52.037 0.063 0.000 0.751 97 A CB 1.253 20.305 19.000 0.087 0.000 1.203 97 A HN 0.696 nan 8.150 nan 0.000 0.452 98 G N 2.079 110.905 108.800 0.044 0.000 2.671 98 G HA2 0.567 4.527 3.960 -0.000 0.000 0.318 98 G HA3 0.567 4.527 3.960 -0.000 0.000 0.318 98 G C -0.723 174.183 174.900 0.010 0.000 1.250 98 G CA -0.226 44.894 45.100 0.033 0.000 1.028 98 G HN 0.633 nan 8.290 nan 0.000 0.501 99 I N 2.356 122.916 120.570 -0.017 0.000 2.474 99 I HA 0.439 4.609 4.170 -0.000 0.000 0.294 99 I C -0.388 175.659 176.117 -0.116 0.000 1.005 99 I CA -0.900 60.340 61.300 -0.101 0.000 1.113 99 I CB 2.493 40.356 38.000 -0.228 0.000 1.289 99 I HN 0.211 nan 8.210 nan 0.000 0.436 100 I N 6.244 126.749 120.570 -0.110 0.000 2.362 100 I HA 0.331 4.501 4.170 -0.000 0.000 0.289 100 I C -0.556 175.511 176.117 -0.084 0.000 0.994 100 I CA -0.787 60.477 61.300 -0.059 0.000 1.158 100 I CB 1.773 39.769 38.000 -0.006 0.000 1.315 100 I HN 0.166 nan 8.210 nan 0.000 0.451 101 V N 5.871 125.757 119.914 -0.047 0.000 2.394 101 V HA 0.727 4.847 4.120 -0.000 0.000 0.282 101 V C 0.264 176.452 176.094 0.157 0.000 1.031 101 V CA -0.359 61.943 62.300 0.003 0.000 0.881 101 V CB 1.369 33.189 31.823 -0.005 0.000 0.982 101 V HN 0.835 nan 8.190 nan 0.000 0.451 102 A N 3.632 126.562 122.820 0.185 0.000 2.414 102 A HA 0.997 5.317 4.320 -0.000 0.000 0.306 102 A C -0.108 177.628 177.584 0.252 0.000 1.054 102 A CA -0.099 52.063 52.037 0.208 0.000 0.724 102 A CB 2.052 21.158 19.000 0.177 0.000 1.267 102 A HN 1.208 nan 8.150 nan 0.000 0.418 103 G N -0.453 108.488 108.800 0.236 0.000 2.698 103 G HA2 0.530 4.490 3.960 -0.000 0.000 0.293 103 G HA3 0.530 4.490 3.960 -0.000 0.000 0.293 103 G C -1.962 173.068 174.900 0.217 0.000 1.437 103 G CA -0.441 44.808 45.100 0.249 0.000 0.852 103 G HN 1.063 nan 8.290 nan 0.000 0.499 104 Y N 1.039 121.416 120.300 0.130 0.000 2.341 104 Y HA 0.604 5.154 4.550 -0.000 0.000 0.337 104 Y C 0.151 176.100 175.900 0.082 0.000 1.014 104 Y CA -0.152 57.995 58.100 0.080 0.000 1.111 104 Y CB 2.345 40.840 38.460 0.057 0.000 1.194 104 Y HN 0.757 nan 8.280 nan 0.000 0.462 105 D N 0.882 120.696 120.400 -0.978 0.000 3.268 105 D HA 0.127 4.767 4.640 -0.000 0.000 0.173 105 D C 0.161 175.905 176.300 -0.926 0.000 1.219 105 D CA 0.526 54.134 54.000 -0.654 0.000 1.514 105 D CB 0.244 40.875 40.800 -0.283 0.000 1.174 105 D HN 0.618 nan 8.370 nan 0.000 0.170 106 N N 0.704 119.325 118.700 -0.132 0.000 2.602 106 N HA -0.369 4.371 4.740 -0.000 0.000 0.242 106 N C 0.579 176.004 175.510 -0.142 0.000 1.200 106 N CA 1.765 54.751 53.050 -0.107 0.000 0.848 106 N CB -0.581 37.863 38.487 -0.073 0.000 1.195 106 N HN 0.596 nan 8.380 nan 0.000 0.585 107 K N -1.364 118.883 120.400 -0.256 0.000 2.443 107 K HA -0.235 4.085 4.320 -0.000 0.000 0.175 107 K C 0.367 176.845 176.600 -0.202 0.000 1.379 107 K CA 1.880 58.037 56.287 -0.216 0.000 0.413 107 K CB -1.584 30.883 32.500 -0.056 0.000 0.695 107 K HN 0.296 nan 8.250 nan 0.000 0.754 108 G N 1.151 109.936 108.800 -0.026 0.000 2.371 108 G HA2 0.556 4.516 3.960 -0.000 0.000 0.326 108 G HA3 0.556 4.516 3.960 -0.000 0.000 0.326 108 G C -1.193 173.720 174.900 0.021 0.000 1.127 108 G CA -0.321 44.804 45.100 0.043 0.000 0.885 108 G HN 0.452 nan 8.290 nan 0.000 0.477 109 E N -0.123 120.107 120.200 0.050 0.000 2.340 109 E HA 0.532 4.882 4.350 -0.000 0.000 0.273 109 E C -1.437 175.164 176.600 0.000 0.000 0.891 109 E CA -0.787 55.610 56.400 -0.005 0.000 0.757 109 E CB 3.189 32.918 29.700 0.048 0.000 1.231 109 E HN 0.234 nan 8.360 nan 0.000 0.439 110 V N 2.779 122.585 119.914 -0.181 0.000 2.569 110 V HA 0.346 4.466 4.120 -0.000 0.000 0.301 110 V C -1.636 174.260 176.094 -0.330 0.000 1.044 110 V CA -0.747 61.484 62.300 -0.115 0.000 0.874 110 V CB 0.960 32.762 31.823 -0.035 0.000 1.002 110 V HN 0.561 nan 8.190 nan 0.000 0.424 111 Y N 1.870 122.172 120.300 0.003 0.000 2.364 111 Y HA 0.647 5.197 4.550 -0.000 0.000 0.340 111 Y C 0.491 176.380 175.900 -0.018 0.000 0.975 111 Y CA -0.617 57.478 58.100 -0.007 0.000 1.089 111 Y CB 2.274 40.727 38.460 -0.012 0.000 1.192 111 Y HN 0.504 nan 8.280 nan 0.000 0.454 112 T N 4.867 119.500 114.554 0.132 0.000 2.807 112 T HA 0.646 4.996 4.350 -0.000 0.000 0.279 112 T C -0.826 173.955 174.700 0.136 0.000 0.993 112 T CA -0.521 61.632 62.100 0.089 0.000 0.970 112 T CB 0.136 69.029 68.868 0.042 0.000 0.950 112 T HN 0.532 nan 8.240 nan 0.000 0.441 113 I N 8.686 129.303 120.570 0.078 0.000 2.428 113 I HA 0.337 4.507 4.170 -0.000 0.000 0.279 113 I C -2.000 174.170 176.117 0.089 0.000 1.040 113 I CA -2.234 59.118 61.300 0.087 0.000 1.171 113 I CB 1.738 39.767 38.000 0.048 0.000 1.312 113 I HN 0.444 nan 8.210 nan 0.000 0.470 114 P HA 0.148 nan 4.420 nan 0.000 0.279 114 P C 0.974 178.329 177.300 0.091 0.000 1.282 114 P CA -0.529 62.629 63.100 0.097 0.000 0.788 114 P CB 1.487 33.249 31.700 0.103 0.000 1.139 115 L N 0.960 122.224 121.223 0.070 0.000 1.991 115 L HA -0.216 4.124 4.340 -0.000 0.000 0.221 115 L C 2.839 179.756 176.870 0.078 0.000 1.079 115 L CA 3.001 57.880 54.840 0.064 0.000 0.778 115 L CB -2.106 39.980 42.059 0.046 0.000 0.893 115 L HN 0.634 nan 8.230 nan 0.000 0.437 116 G N -2.186 106.668 108.800 0.090 0.000 2.475 116 G HA2 0.024 3.984 3.960 -0.000 0.000 0.220 116 G HA3 0.024 3.984 3.960 -0.000 0.000 0.220 116 G C 1.202 176.201 174.900 0.164 0.000 1.125 116 G CA 1.047 46.213 45.100 0.110 0.000 0.755 116 G HN 0.878 nan 8.290 nan 0.000 0.565 117 G N -1.136 107.763 108.800 0.166 0.000 2.143 117 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.175 117 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.175 117 G C 0.387 175.376 174.900 0.149 0.000 1.004 117 G CA 0.666 45.892 45.100 0.209 0.000 0.671 117 G HN 1.439 nan 8.290 nan 0.000 0.512 118 S N -0.971 114.783 115.700 0.090 0.000 2.693 118 S HA 0.850 5.320 4.470 -0.000 0.000 0.276 118 S C 0.134 174.644 174.600 -0.149 0.000 1.192 118 S CA -0.185 57.981 58.200 -0.056 0.000 0.994 118 S CB 2.648 65.843 63.200 -0.009 0.000 1.012 118 S HN 1.288 nan 8.310 nan 0.000 0.550 119 V N 1.180 120.879 119.914 -0.359 0.000 2.680 119 V HA 0.585 4.705 4.120 -0.000 0.000 0.309 119 V C -0.833 174.912 176.094 -0.583 0.000 1.052 119 V CA -0.721 61.412 62.300 -0.277 0.000 0.908 119 V CB 1.427 33.189 31.823 -0.103 0.000 1.001 119 V HN 0.987 nan 8.190 nan 0.000 0.431 120 H N 2.252 121.363 119.070 0.069 0.000 3.018 120 H HA 0.399 4.955 4.556 -0.000 0.000 0.334 120 H C -0.869 174.446 175.328 -0.023 0.000 0.983 120 H CA -0.692 55.366 56.048 0.017 0.000 1.363 120 H CB 2.414 32.163 29.762 -0.022 0.000 1.668 120 H HN 0.675 nan 8.280 nan 0.000 0.513 121 K N 4.343 124.744 120.400 0.001 0.000 2.258 121 K HA 0.545 4.865 4.320 -0.000 0.000 0.284 121 K C -0.970 175.516 176.600 -0.189 0.000 1.051 121 K CA -0.314 55.810 56.287 -0.273 0.000 0.923 121 K CB 0.608 32.903 32.500 -0.342 0.000 1.046 121 K HN 0.462 nan 8.250 nan 0.000 0.474 122 L N 4.533 125.615 121.223 -0.234 0.000 2.403 122 L HA 0.395 4.735 4.340 -0.000 0.000 0.253 122 L C -2.043 174.726 176.870 -0.168 0.000 1.045 122 L CA -2.221 52.502 54.840 -0.195 0.000 0.845 122 L CB 2.063 43.972 42.059 -0.251 0.000 1.447 122 L HN 0.464 nan 8.230 nan 0.000 0.411 123 P HA -0.067 nan 4.420 nan 0.000 0.219 123 P C -1.222 176.079 177.300 0.002 0.000 1.150 123 P CA 1.214 64.316 63.100 0.004 0.000 0.814 123 P CB 0.116 31.862 31.700 0.077 0.000 0.787 124 Y N -3.883 116.213 120.300 -0.340 0.000 2.702 124 Y HA 0.720 5.270 4.550 -0.000 0.000 0.336 124 Y C -2.045 173.732 175.900 -0.206 0.000 1.203 124 Y CA -1.911 56.032 58.100 -0.261 0.000 1.072 124 Y CB 0.434 38.646 38.460 -0.414 0.000 1.327 124 Y HN -0.134 nan 8.280 nan 0.000 0.456 125 A N 2.349 125.067 122.820 -0.171 0.000 2.594 125 A HA 0.840 5.160 4.320 -0.000 0.000 0.295 125 A C -1.554 175.988 177.584 -0.070 0.000 1.071 125 A CA -0.503 51.378 52.037 -0.259 0.000 0.685 125 A CB 1.389 20.293 19.000 -0.160 0.000 1.285 125 A HN 1.378 nan 8.150 nan 0.000 0.405 126 I N -1.774 118.714 120.570 -0.137 0.000 2.730 126 I HA 0.997 5.167 4.170 -0.000 0.000 0.298 126 I C -0.266 175.803 176.117 -0.080 0.000 1.089 126 I CA -0.969 60.275 61.300 -0.093 0.000 1.041 126 I CB 2.178 40.083 38.000 -0.158 0.000 1.235 126 I HN 1.246 nan 8.210 nan 0.000 0.423 127 A N 2.871 125.673 122.820 -0.029 0.000 2.586 127 A HA 0.968 5.288 4.320 -0.000 0.000 0.290 127 A C -0.274 177.323 177.584 0.022 0.000 1.086 127 A CA -0.258 51.783 52.037 0.007 0.000 0.665 127 A CB 0.846 19.851 19.000 0.008 0.000 1.279 127 A HN 2.381 nan 8.150 nan 0.000 0.423 128 G N -0.863 107.956 108.800 0.031 0.000 2.612 128 G HA2 0.340 4.300 3.960 -0.000 0.000 0.686 128 G HA3 0.340 4.300 3.960 -0.000 0.000 0.686 128 G C 0.803 175.724 174.900 0.034 0.000 1.274 128 G CA 0.424 45.545 45.100 0.035 0.000 0.849 128 G HN 2.272 nan 8.290 nan 0.000 0.595 129 S N -0.662 115.062 115.700 0.040 0.000 2.374 129 S HA -0.046 4.424 4.470 -0.000 0.000 0.227 129 S C 2.577 177.197 174.600 0.033 0.000 1.037 129 S CA 2.341 60.561 58.200 0.034 0.000 1.024 129 S CB -0.680 62.562 63.200 0.069 0.000 0.861 129 S HN 2.253 nan 8.310 nan 0.000 0.456 130 G N 1.614 110.485 108.800 0.118 0.000 2.484 130 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.218 130 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.218 130 G C 1.655 176.648 174.900 0.155 0.000 1.130 130 G CA 0.981 46.226 45.100 0.242 0.000 0.784 130 G HN 0.785 nan 8.290 nan 0.000 0.543 131 S N 1.393 117.133 115.700 0.066 0.000 2.387 131 S HA -0.250 4.220 4.470 -0.000 0.000 0.230 131 S C 2.432 177.122 174.600 0.150 0.000 1.035 131 S CA 2.289 60.524 58.200 0.058 0.000 1.014 131 S CB -1.269 61.952 63.200 0.034 0.000 0.836 131 S HN 0.552 nan 8.310 nan 0.000 0.466 132 T N -0.620 113.948 114.554 0.023 0.000 2.803 132 T HA -0.077 4.273 4.350 -0.000 0.000 0.269 132 T C 1.348 176.040 174.700 -0.013 0.000 1.052 132 T CA 1.199 63.282 62.100 -0.028 0.000 1.136 132 T CB -0.915 67.673 68.868 -0.466 0.000 0.864 132 T HN 0.409 nan 8.240 nan 0.000 0.467 133 F N 1.955 122.015 119.950 0.184 0.000 2.456 133 F HA 0.338 4.865 4.527 -0.000 0.000 0.298 133 F C 1.917 177.808 175.800 0.151 0.000 1.104 133 F CA -0.454 57.615 58.000 0.115 0.000 1.435 133 F CB -0.471 38.603 39.000 0.123 0.000 1.078 133 F HN 0.346 nan 8.300 nan 0.000 0.546 134 I N -4.841 115.923 120.570 0.324 0.000 3.877 134 I HA 0.168 4.338 4.170 -0.000 0.000 0.332 134 I C 1.242 177.492 176.117 0.222 0.000 1.525 134 I CA -0.184 61.276 61.300 0.266 0.000 1.146 134 I CB -0.798 37.310 38.000 0.179 0.000 1.137 134 I HN -0.086 nan 8.210 nan 0.000 0.424 135 Y N 2.644 123.038 120.300 0.157 0.000 2.089 135 Y HA -0.067 4.483 4.550 -0.000 0.000 0.282 135 Y C 2.739 178.735 175.900 0.161 0.000 1.139 135 Y CA 2.468 60.648 58.100 0.134 0.000 1.123 135 Y CB -0.525 37.970 38.460 0.057 0.000 0.980 135 Y HN 0.303 nan 8.280 nan 0.000 0.493 136 G N -1.507 107.478 108.800 0.307 0.000 2.440 136 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.218 136 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.218 136 G C 1.547 176.570 174.900 0.206 0.000 1.154 136 G CA 1.097 46.327 45.100 0.218 0.000 0.767 136 G HN 0.491 nan 8.290 nan 0.000 0.552 137 Y N 0.864 121.259 120.300 0.157 0.000 2.128 137 Y HA -0.212 4.338 4.550 -0.000 0.000 0.284 137 Y C 2.899 178.920 175.900 0.202 0.000 1.154 137 Y CA 1.642 59.837 58.100 0.158 0.000 1.149 137 Y CB -0.543 38.007 38.460 0.150 0.000 0.976 137 Y HN 0.246 nan 8.280 nan 0.000 0.505 138 C N 0.040 119.495 119.300 0.259 0.000 2.440 138 C HA -0.146 4.314 4.460 -0.000 0.000 0.278 138 C C 2.457 177.580 174.990 0.223 0.000 1.295 138 C CA 1.472 60.673 59.018 0.304 0.000 1.738 138 C CB -1.224 26.710 27.740 0.323 0.000 1.987 138 C HN 0.703 nan 8.230 nan 0.000 0.492 139 D N 0.399 120.925 120.400 0.209 0.000 2.218 139 D HA -0.109 4.531 4.640 -0.000 0.000 0.204 139 D C 2.088 178.440 176.300 0.087 0.000 0.976 139 D CA 1.037 55.154 54.000 0.195 0.000 0.853 139 D CB 0.042 40.952 40.800 0.183 0.000 0.939 139 D HN 0.302 nan 8.370 nan 0.000 0.481 140 K N -0.325 120.077 120.400 0.004 0.000 2.393 140 K HA 0.115 4.435 4.320 -0.000 0.000 0.193 140 K C 0.554 177.060 176.600 -0.157 0.000 1.026 140 K CA 0.312 56.560 56.287 -0.065 0.000 1.064 140 K CB 0.308 32.766 32.500 -0.070 0.000 0.833 140 K HN 0.189 nan 8.250 nan 0.000 0.521 141 N N -0.570 118.004 118.700 -0.210 0.000 2.166 141 N HA 0.058 4.798 4.740 -0.000 0.000 0.213 141 N C -0.367 174.836 175.510 -0.511 0.000 1.222 141 N CA -0.291 52.583 53.050 -0.294 0.000 0.900 141 N CB 0.412 38.704 38.487 -0.326 0.000 1.055 141 N HN -0.007 nan 8.380 nan 0.000 0.515 142 F N 1.910 121.450 119.950 -0.683 0.000 2.389 142 F HA 0.463 4.990 4.527 -0.000 0.000 0.337 142 F C 0.101 175.587 175.800 -0.523 0.000 1.112 142 F CA -0.335 57.061 58.000 -1.006 0.000 1.192 142 F CB 0.594 39.005 39.000 -0.982 0.000 1.185 142 F HN -0.249 nan 8.300 nan 0.000 0.552 143 R N 3.671 123.180 120.500 -1.652 0.000 2.698 143 R HA 0.239 4.579 4.340 -0.000 0.000 0.275 143 R C -1.190 174.267 176.300 -1.405 0.000 1.001 143 R CA -1.024 54.412 56.100 -1.105 0.000 0.896 143 R CB 2.160 32.093 30.300 -0.611 0.000 1.218 143 R HN 0.694 nan 8.270 nan 0.000 0.462 144 E N 0.914 120.681 120.200 -0.721 0.000 2.343 144 E HA 0.103 4.453 4.350 -0.000 0.000 0.269 144 E C -0.551 175.921 176.600 -0.215 0.000 1.047 144 E CA -0.111 56.077 56.400 -0.354 0.000 0.874 144 E CB 0.542 30.209 29.700 -0.056 0.000 1.033 144 E HN 0.531 nan 8.360 nan 0.000 0.409 145 N N 1.548 120.202 118.700 -0.076 0.000 2.738 145 N HA -0.218 4.522 4.740 -0.000 0.000 0.249 145 N C -0.682 174.820 175.510 -0.014 0.000 1.047 145 N CA -0.004 53.038 53.050 -0.014 0.000 0.707 145 N CB -0.881 37.590 38.487 -0.026 0.000 0.937 145 N HN 0.384 nan 8.380 nan 0.000 0.545 146 M N 0.064 119.655 119.600 -0.016 0.000 2.114 146 M HA 0.206 4.686 4.480 -0.000 0.000 0.293 146 M C 1.209 177.578 176.300 0.115 0.000 1.201 146 M CA -0.184 55.091 55.300 -0.042 0.000 1.107 146 M CB 0.588 33.097 32.600 -0.152 0.000 1.405 146 M HN 0.292 nan 8.290 nan 0.000 0.486 147 S N -0.346 115.372 115.700 0.030 0.000 2.669 147 S HA 0.251 4.721 4.470 -0.000 0.000 0.270 147 S C 0.731 175.259 174.600 -0.120 0.000 1.225 147 S CA -0.831 57.413 58.200 0.074 0.000 0.991 147 S CB 1.316 64.524 63.200 0.013 0.000 0.987 147 S HN 0.789 nan 8.310 nan 0.000 0.552 148 K N 0.929 121.241 120.400 -0.146 0.000 2.020 148 K HA -0.241 4.079 4.320 -0.000 0.000 0.212 148 K C 1.764 178.164 176.600 -0.334 0.000 1.050 148 K CA 2.228 58.211 56.287 -0.506 0.000 0.929 148 K CB -0.530 31.867 32.500 -0.171 0.000 0.714 148 K HN 0.797 nan 8.250 nan 0.000 0.443 149 E N 0.654 120.759 120.200 -0.159 0.000 2.085 149 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 149 E C 1.965 178.507 176.600 -0.097 0.000 0.994 149 E CA 1.714 58.052 56.400 -0.105 0.000 0.801 149 E CB -0.075 29.590 29.700 -0.058 0.000 0.743 149 E HN 0.466 nan 8.360 nan 0.000 0.453 150 E N 0.304 120.440 120.200 -0.107 0.000 2.077 150 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 150 E C 2.091 178.648 176.600 -0.071 0.000 0.989 150 E CA 1.528 57.874 56.400 -0.090 0.000 0.800 150 E CB -0.136 29.498 29.700 -0.109 0.000 0.746 150 E HN 0.210 nan 8.360 nan 0.000 0.452 151 T N 0.888 115.354 114.554 -0.148 0.000 2.777 151 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 151 T C 2.103 176.790 174.700 -0.021 0.000 1.040 151 T CA 0.912 62.956 62.100 -0.093 0.000 1.141 151 T CB -0.154 68.501 68.868 -0.355 0.000 0.868 151 T HN -0.028 nan 8.240 nan 0.000 0.444 152 V N 1.984 121.830 119.914 -0.112 0.000 2.490 152 V HA -0.153 3.967 4.120 -0.000 0.000 0.250 152 V C 2.203 178.314 176.094 0.028 0.000 1.061 152 V CA 1.613 63.879 62.300 -0.057 0.000 1.064 152 V CB -0.516 31.256 31.823 -0.084 0.000 0.670 152 V HN 0.414 nan 8.190 nan 0.000 0.461 153 D N -0.760 119.676 120.400 0.061 0.000 2.162 153 D HA -0.101 4.539 4.640 -0.000 0.000 0.203 153 D C 1.816 178.266 176.300 0.251 0.000 0.967 153 D CA 0.856 54.948 54.000 0.155 0.000 0.840 153 D CB -0.206 40.640 40.800 0.076 0.000 0.972 153 D HN 0.443 nan 8.370 nan 0.000 0.482 154 F N 1.522 121.485 119.950 0.022 0.000 2.102 154 F HA -0.091 4.436 4.527 -0.000 0.000 0.298 154 F C 2.042 177.923 175.800 0.136 0.000 1.105 154 F CA 1.100 59.134 58.000 0.058 0.000 1.239 154 F CB -0.410 38.584 39.000 -0.010 0.000 0.991 154 F HN -0.136 nan 8.300 nan 0.000 0.474 155 I N 0.272 120.807 120.570 -0.059 0.000 2.252 155 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 155 I C 2.508 178.567 176.117 -0.097 0.000 1.102 155 I CA 1.627 62.823 61.300 -0.173 0.000 1.385 155 I CB -0.539 37.433 38.000 -0.045 0.000 1.064 155 I HN 0.117 nan 8.210 nan 0.000 0.414 156 K N 0.287 120.685 120.400 -0.003 0.000 2.097 156 K HA -0.237 4.083 4.320 -0.000 0.000 0.206 156 K C 2.094 178.649 176.600 -0.074 0.000 1.049 156 K CA 1.700 57.972 56.287 -0.025 0.000 0.933 156 K CB -0.061 32.443 32.500 0.006 0.000 0.717 156 K HN 0.313 nan 8.250 nan 0.000 0.442 157 H N -0.487 118.532 119.070 -0.084 0.000 2.307 157 H HA 0.033 4.589 4.556 -0.000 0.000 0.303 157 H C 2.251 177.422 175.328 -0.261 0.000 1.073 157 H CA 1.821 57.798 56.048 -0.119 0.000 1.338 157 H CB -0.234 29.546 29.762 0.031 0.000 1.389 157 H HN 0.126 nan 8.280 nan 0.000 0.503 158 S N 0.375 116.002 115.700 -0.122 0.000 2.359 158 S HA -0.156 4.314 4.470 -0.000 0.000 0.222 158 S C 2.253 176.762 174.600 -0.152 0.000 1.038 158 S CA 1.353 59.432 58.200 -0.202 0.000 1.051 158 S CB -0.463 62.549 63.200 -0.314 0.000 0.944 158 S HN 0.259 nan 8.310 nan 0.000 0.433 159 L N 1.757 122.902 121.223 -0.130 0.000 2.191 159 L HA -0.097 4.243 4.340 -0.000 0.000 0.212 159 L C 2.738 179.553 176.870 -0.091 0.000 1.103 159 L CA 1.338 56.129 54.840 -0.082 0.000 0.769 159 L CB -0.861 41.156 42.059 -0.070 0.000 0.908 159 L HN 0.467 nan 8.230 nan 0.000 0.438 160 S N -1.116 114.501 115.700 -0.138 0.000 2.383 160 S HA -0.178 4.292 4.470 -0.000 0.000 0.227 160 S C 1.937 176.436 174.600 -0.169 0.000 1.026 160 S CA 0.561 58.663 58.200 -0.163 0.000 0.981 160 S CB -0.164 62.908 63.200 -0.214 0.000 0.818 160 S HN 0.377 nan 8.310 nan 0.000 0.472 161 Q N 1.329 121.033 119.800 -0.160 0.000 2.079 161 Q HA 0.137 4.477 4.340 -0.000 0.000 0.200 161 Q C 2.650 178.681 176.000 0.051 0.000 0.974 161 Q CA 1.572 57.321 55.803 -0.090 0.000 0.840 161 Q CB -0.941 27.742 28.738 -0.091 0.000 0.898 161 Q HN 0.723 nan 8.270 nan 0.000 0.430 162 A N 0.932 123.801 122.820 0.081 0.000 1.908 162 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 162 A C 2.137 179.788 177.584 0.112 0.000 1.181 162 A CA 1.197 53.352 52.037 0.196 0.000 0.627 162 A CB -0.697 18.389 19.000 0.143 0.000 0.818 162 A HN 0.331 nan 8.150 nan 0.000 0.445 163 I N -0.637 119.929 120.570 -0.006 0.000 2.394 163 I HA -0.243 3.927 4.170 -0.000 0.000 0.251 163 I C 2.503 178.532 176.117 -0.146 0.000 1.136 163 I CA 1.758 63.025 61.300 -0.055 0.000 1.425 163 I CB -0.223 37.727 38.000 -0.083 0.000 1.079 163 I HN 0.428 nan 8.210 nan 0.000 0.425 164 K N 0.695 120.934 120.400 -0.268 0.000 2.057 164 K HA -0.196 4.124 4.320 -0.000 0.000 0.207 164 K C 1.827 178.033 176.600 -0.657 0.000 1.049 164 K CA 1.806 57.767 56.287 -0.543 0.000 0.931 164 K CB -0.162 31.851 32.500 -0.811 0.000 0.714 164 K HN 0.307 nan 8.250 nan 0.000 0.440 165 W N 0.450 121.591 121.300 -0.265 0.000 2.762 165 W HA 0.122 4.782 4.660 -0.000 0.000 0.265 165 W C 0.097 176.319 176.519 -0.494 0.000 1.263 165 W CA -0.618 56.421 57.345 -0.509 0.000 1.411 165 W CB 0.266 29.164 29.460 -0.937 0.000 1.065 165 W HN 0.045 nan 8.180 nan 0.000 0.609 166 D N -0.275 120.129 120.400 0.006 0.000 2.396 166 D HA 0.223 4.863 4.640 -0.000 0.000 0.225 166 D C 1.461 177.824 176.300 0.105 0.000 1.121 166 D CA -0.058 54.070 54.000 0.214 0.000 0.853 166 D CB 1.274 42.343 40.800 0.449 0.000 1.043 166 D HN 0.063 nan 8.370 nan 0.000 0.500 167 G N 2.219 111.069 108.800 0.084 0.000 2.535 167 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.218 167 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.218 167 G C 1.180 176.107 174.900 0.045 0.000 1.122 167 G CA 0.203 45.328 45.100 0.041 0.000 0.769 167 G HN 0.483 nan 8.290 nan 0.000 0.549 168 S N -0.215 115.532 115.700 0.078 0.000 2.593 168 S HA 0.254 4.724 4.470 -0.000 0.000 0.217 168 S C 0.777 175.405 174.600 0.047 0.000 0.966 168 S CA -0.196 58.040 58.200 0.061 0.000 0.914 168 S CB 0.303 63.550 63.200 0.078 0.000 0.776 168 S HN 0.243 nan 8.310 nan 0.000 0.523 169 S N 0.173 115.902 115.700 0.048 0.000 2.566 169 S HA 0.878 5.348 4.470 -0.000 0.000 0.298 169 S C 0.217 174.814 174.600 -0.004 0.000 1.083 169 S CA -0.525 57.693 58.200 0.030 0.000 0.978 169 S CB 2.056 65.289 63.200 0.055 0.000 1.073 169 S HN 0.511 nan 8.310 nan 0.000 0.491 170 G N -0.485 108.304 108.800 -0.019 0.000 2.327 170 G HA2 0.567 4.527 3.960 -0.000 0.000 0.291 170 G HA3 0.567 4.527 3.960 -0.000 0.000 0.291 170 G C -0.058 174.818 174.900 -0.040 0.000 1.290 170 G CA 0.342 45.417 45.100 -0.040 0.000 0.857 170 G HN 1.665 nan 8.290 nan 0.000 0.520 171 G N -1.860 106.911 108.800 -0.049 0.000 2.520 171 G HA2 0.298 4.258 3.960 -0.000 0.000 0.248 171 G HA3 0.298 4.258 3.960 -0.000 0.000 0.248 171 G C 0.711 175.585 174.900 -0.043 0.000 1.161 171 G CA 1.455 46.529 45.100 -0.044 0.000 0.946 171 G HN 2.366 nan 8.290 nan 0.000 0.565 172 V N -0.885 119.009 119.914 -0.033 0.000 3.096 172 V HA 0.840 4.960 4.120 -0.000 0.000 0.319 172 V C 0.737 176.813 176.094 -0.030 0.000 1.082 172 V CA -1.093 61.188 62.300 -0.033 0.000 1.022 172 V CB 1.671 33.479 31.823 -0.024 0.000 1.103 172 V HN 0.915 nan 8.190 nan 0.000 0.455 173 I N 2.210 122.759 120.570 -0.035 0.000 2.354 173 I HA 0.538 4.708 4.170 -0.000 0.000 0.292 173 I C 0.254 176.358 176.117 -0.023 0.000 0.989 173 I CA -0.462 60.819 61.300 -0.032 0.000 1.188 173 I CB 1.361 39.334 38.000 -0.047 0.000 1.342 173 I HN 0.667 nan 8.210 nan 0.000 0.457 174 R N 6.850 127.343 120.500 -0.011 0.000 2.604 174 R HA 0.785 5.125 4.340 -0.000 0.000 0.287 174 R C -0.873 175.419 176.300 -0.015 0.000 0.970 174 R CA -0.745 55.351 56.100 -0.006 0.000 0.946 174 R CB 2.341 32.651 30.300 0.016 0.000 1.127 174 R HN 0.537 nan 8.270 nan 0.000 0.473 175 M N 1.170 120.750 119.600 -0.033 0.000 2.593 175 M HA 0.496 4.976 4.480 -0.000 0.000 0.290 175 M C -1.302 174.934 176.300 -0.106 0.000 1.244 175 M CA -1.121 54.147 55.300 -0.054 0.000 0.857 175 M CB 2.916 35.484 32.600 -0.054 0.000 1.738 175 M HN 0.220 nan 8.290 nan 0.000 0.461 176 V N 2.004 121.824 119.914 -0.157 0.000 2.668 176 V HA 0.450 4.570 4.120 -0.000 0.000 0.304 176 V C -1.025 174.926 176.094 -0.237 0.000 1.071 176 V CA -0.741 61.371 62.300 -0.313 0.000 0.894 176 V CB 2.393 33.844 31.823 -0.620 0.000 1.008 176 V HN 0.621 nan 8.190 nan 0.000 0.425 177 V N 6.350 126.146 119.914 -0.197 0.000 2.370 177 V HA 0.498 4.618 4.120 -0.000 0.000 0.279 177 V C -0.554 175.485 176.094 -0.092 0.000 1.029 177 V CA -0.624 61.629 62.300 -0.079 0.000 0.870 177 V CB 1.454 33.257 31.823 -0.033 0.000 0.984 177 V HN 0.533 nan 8.190 nan 0.000 0.451 178 L N 6.054 127.273 121.223 -0.007 0.000 2.295 178 L HA 0.716 5.056 4.340 -0.000 0.000 0.281 178 L C 0.385 177.200 176.870 -0.091 0.000 1.018 178 L CA 0.423 55.256 54.840 -0.012 0.000 0.841 178 L CB 1.365 43.477 42.059 0.088 0.000 1.218 178 L HN 1.001 nan 8.230 nan 0.000 0.424 179 T N -1.157 113.180 114.554 -0.361 0.000 2.778 179 T HA 0.661 5.011 4.350 -0.000 0.000 0.293 179 T C 0.953 174.958 174.700 -1.158 0.000 1.144 179 T CA -0.136 61.462 62.100 -0.837 0.000 1.010 179 T CB 1.367 70.027 68.868 -0.346 0.000 1.325 179 T HN 0.266 nan 8.240 nan 0.000 0.515 180 A N 0.136 122.252 122.820 -1.175 0.000 2.070 180 A HA 0.480 4.800 4.320 -0.000 0.000 0.220 180 A C 1.526 178.985 177.584 -0.208 0.000 1.159 180 A CA 1.176 52.920 52.037 -0.488 0.000 0.656 180 A CB -1.383 17.559 19.000 -0.097 0.000 0.800 180 A HN 1.327 nan 8.150 nan 0.000 0.453 184 V N 0.911 120.816 119.914 -0.015 0.000 2.487 184 V HA 0.674 4.794 4.120 -0.000 0.000 0.298 184 V C -0.482 175.572 176.094 -0.068 0.000 1.028 184 V CA -0.519 61.751 62.300 -0.051 0.000 0.860 184 V CB 1.496 33.335 31.823 0.025 0.000 0.991 184 V HN 0.758 nan 8.190 nan 0.000 0.427 185 E N 4.357 124.488 120.200 -0.116 0.000 2.210 185 E HA 0.501 4.851 4.350 -0.000 0.000 0.266 185 E C -0.920 175.602 176.600 -0.130 0.000 0.883 185 E CA -0.869 55.476 56.400 -0.091 0.000 0.761 185 E CB 1.629 31.290 29.700 -0.065 0.000 1.156 185 E HN 0.534 nan 8.360 nan 0.000 0.412 186 R N 4.325 124.771 120.500 -0.091 0.000 2.294 186 R HA 0.486 4.826 4.340 -0.000 0.000 0.319 186 R C -0.373 175.894 176.300 -0.055 0.000 0.984 186 R CA -0.404 55.645 56.100 -0.085 0.000 0.861 186 R CB 0.921 31.199 30.300 -0.037 0.000 1.104 186 R HN 0.500 nan 8.270 nan 0.000 0.451 187 L N 0.000 121.189 121.223 -0.057 0.000 2.949 187 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 187 L CA 0.000 54.815 54.840 -0.042 0.000 0.813 187 L CB 0.000 42.029 42.059 -0.049 0.000 0.961 187 L HN 0.000 nan 8.230 nan 0.000 0.502