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 2hmf_1_B DATA FIRST_RESID 2 DATA SEQUENCE TTVMKFGGTS VGSGERIRHV AKIVTKRKKE DDDVVVVVSA MSEVTNALVE DATA SEQUENCE ISQQALDVRD IAKVGDFIKF IREKHYKAIE EAIKSEEIKE EVKKIIDSRI DATA SEQUENCE EELEKVLIGV AYLGELTPKS RDYILSFGER LSSPILSGAI RDLGEKSIAL DATA SEQUENCE EGGEAGIITD NNFGSARVKR LEVKERLLPL LKEGIIPVVT GFIGTTEEGY DATA SEQUENCE ITTLGRGGSD YSAALIGYGL DADIIEIWTD VSGVYTTDPR LVPTARRIPK DATA SEQUENCE LSYIEAMELA YFGAKVLHPR TIEPAMEKGI PILVKNTFEP ESEGTLITND DATA SEQUENCE MEMSDSIVKA ISTIKNVALI NIFGAGMVGV SGTAARIFKA LGEEEVNVIL DATA SEQUENCE ISQGSSETNI SLVVSEEDVD KALKALKREF GDXXXXXFLN NNLIRDVSVD DATA SEQUENCE KDVCVISVVG AGMRGAKGIA GKIFTAVSES GANIKMIAQG SSEVNISFVI DATA SEQUENCE DEKDLLNCVR KLHEKFIEK 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.719 174.700 0.032 0.000 1.109 2 T CA 0.000 62.113 62.100 0.021 0.000 1.349 2 T CB 0.000 68.876 68.868 0.014 0.000 0.612 3 T N 2.285 116.864 114.554 0.040 0.000 2.847 3 T HA 0.606 5.012 4.350 0.094 0.000 0.291 3 T C -0.323 174.415 174.700 0.063 0.000 0.998 3 T CA -0.630 61.504 62.100 0.056 0.000 0.967 3 T CB 1.678 70.587 68.868 0.069 0.000 0.954 3 T HN 0.589 nan 8.240 nan 0.000 0.441 4 V N 5.772 125.725 119.914 0.065 0.000 2.427 4 V HA 0.719 4.895 4.120 0.094 0.000 0.286 4 V C -0.819 175.324 176.094 0.082 0.000 1.034 4 V CA -0.672 61.669 62.300 0.069 0.000 0.893 4 V CB 0.999 32.856 31.823 0.058 0.000 0.982 4 V HN 0.910 nan 8.190 nan 0.000 0.452 5 M N 7.716 127.369 119.600 0.088 0.000 2.197 5 M HA 0.521 5.057 4.480 0.094 0.000 0.301 5 M C -0.745 175.528 176.300 -0.045 0.000 0.987 5 M CA -0.467 54.864 55.300 0.051 0.000 0.921 5 M CB 1.881 34.534 32.600 0.089 0.000 1.569 5 M HN 0.523 nan 8.290 nan 0.000 0.431 6 K N 3.648 123.964 120.400 -0.140 0.000 2.206 6 K HA 0.594 4.970 4.320 0.094 0.000 0.264 6 K C -1.972 174.439 176.600 -0.315 0.000 0.967 6 K CA -0.191 56.040 56.287 -0.093 0.000 0.844 6 K CB 1.071 33.580 32.500 0.016 0.000 1.099 6 K HN 0.570 nan 8.250 nan 0.000 0.441 7 F N 1.357 121.388 119.950 0.135 0.000 2.467 7 F HA 0.367 4.949 4.527 0.091 0.000 0.336 7 F C 1.063 176.932 175.800 0.115 0.000 1.123 7 F CA -0.607 57.471 58.000 0.130 0.000 0.964 7 F CB 1.896 40.917 39.000 0.035 0.000 1.136 7 F HN 0.635 nan 8.300 nan 0.000 0.447 8 G N 1.015 109.980 108.800 0.275 0.000 2.588 8 G HA2 0.383 4.400 3.960 0.094 0.000 0.278 8 G HA3 0.383 4.400 3.960 0.094 0.000 0.278 8 G C 1.039 176.050 174.900 0.184 0.000 1.307 8 G CA -0.204 45.013 45.100 0.195 0.000 1.016 8 G HN 0.848 nan 8.290 nan 0.000 0.503 9 G N -0.760 108.121 108.800 0.136 0.000 2.514 9 G HA2 -0.240 3.777 3.960 0.094 0.000 0.217 9 G HA3 -0.240 3.777 3.960 0.094 0.000 0.217 9 G C 1.951 176.937 174.900 0.145 0.000 1.198 9 G CA 2.533 47.703 45.100 0.116 0.000 0.780 9 G HN 0.946 nan 8.290 nan 0.000 0.565 10 T N -1.217 113.444 114.554 0.179 0.000 2.821 10 T HA -0.069 4.337 4.350 0.094 0.000 0.267 10 T C 2.467 177.386 174.700 0.364 0.000 1.046 10 T CA 1.767 64.010 62.100 0.238 0.000 1.139 10 T CB -0.485 68.517 68.868 0.223 0.000 0.871 10 T HN 0.151 nan 8.240 nan 0.000 0.454 11 S N 1.410 117.311 115.700 0.336 0.000 2.420 11 S HA -0.042 4.485 4.470 0.094 0.000 0.237 11 S C 1.632 176.290 174.600 0.096 0.000 1.023 11 S CA 1.323 59.642 58.200 0.197 0.000 0.991 11 S CB -0.495 62.875 63.200 0.283 0.000 0.792 11 S HN 0.761 nan 8.310 nan 0.000 0.488 12 V N -1.405 118.581 119.914 0.119 0.000 2.854 12 V HA 0.610 4.787 4.120 0.094 0.000 0.366 12 V C 1.219 177.346 176.094 0.055 0.000 1.322 12 V CA 0.033 62.363 62.300 0.051 0.000 1.243 12 V CB -0.024 31.820 31.823 0.034 0.000 1.337 12 V HN 0.234 nan 8.190 nan 0.000 0.585 13 G N 1.171 110.029 108.800 0.098 0.000 2.679 13 G HA2 0.269 4.285 3.960 0.094 0.000 0.212 13 G HA3 0.269 4.285 3.960 0.094 0.000 0.212 13 G C 0.536 175.449 174.900 0.021 0.000 1.137 13 G CA 0.931 46.073 45.100 0.070 0.000 0.787 13 G HN 0.989 nan 8.290 nan 0.000 0.534 14 S N -3.246 112.464 115.700 0.017 0.000 2.615 14 S HA 0.559 5.085 4.470 0.094 0.000 0.269 14 S C 1.122 175.710 174.600 -0.019 0.000 1.161 14 S CA 0.165 58.357 58.200 -0.013 0.000 0.817 14 S CB 1.109 64.313 63.200 0.006 0.000 1.131 14 S HN 0.311 nan 8.310 nan 0.000 0.467 15 G N 0.503 109.286 108.800 -0.028 0.000 2.440 15 G HA2 -0.200 3.816 3.960 0.094 0.000 0.218 15 G HA3 -0.200 3.816 3.960 0.094 0.000 0.218 15 G C 1.012 175.900 174.900 -0.020 0.000 1.154 15 G CA 1.194 46.278 45.100 -0.026 0.000 0.767 15 G HN 0.897 nan 8.290 nan 0.000 0.552 16 E N 0.222 120.417 120.200 -0.008 0.000 2.058 16 E HA -0.183 4.224 4.350 0.094 0.000 0.194 16 E C 2.696 179.300 176.600 0.006 0.000 0.997 16 E CA 0.936 57.336 56.400 0.000 0.000 0.801 16 E CB -0.073 29.631 29.700 0.007 0.000 0.746 16 E HN 0.394 nan 8.360 nan 0.000 0.450 17 R N -0.002 120.503 120.500 0.008 0.000 2.075 17 R HA -0.080 4.316 4.340 0.094 0.000 0.232 17 R C 2.521 178.799 176.300 -0.037 0.000 1.126 17 R CA 1.335 57.433 56.100 -0.004 0.000 0.963 17 R CB -0.262 30.060 30.300 0.037 0.000 0.858 17 R HN 0.270 nan 8.270 nan 0.000 0.435 18 I N 0.314 120.851 120.570 -0.054 0.000 2.163 18 I HA -0.334 3.892 4.170 0.094 0.000 0.243 18 I C 2.730 178.767 176.117 -0.132 0.000 1.085 18 I CA 1.370 62.607 61.300 -0.106 0.000 1.347 18 I CB -0.257 37.700 38.000 -0.072 0.000 1.044 18 I HN 0.152 nan 8.210 nan 0.000 0.408 19 R N 0.121 120.574 120.500 -0.079 0.000 2.073 19 R HA -0.272 4.124 4.340 0.094 0.000 0.234 19 R C 2.506 178.747 176.300 -0.098 0.000 1.134 19 R CA 2.036 58.088 56.100 -0.080 0.000 0.952 19 R CB -0.416 29.859 30.300 -0.042 0.000 0.850 19 R HN 0.418 nan 8.270 nan 0.000 0.433 20 H N -0.295 118.680 119.070 -0.159 0.000 2.352 20 H HA -0.098 4.515 4.556 0.095 0.000 0.299 20 H C 1.806 176.965 175.328 -0.282 0.000 1.097 20 H CA 2.207 58.146 56.048 -0.181 0.000 1.311 20 H CB -0.140 29.526 29.762 -0.160 0.000 1.377 20 H HN 0.053 nan 8.280 nan 0.000 0.504 21 V N 0.676 120.364 119.914 -0.376 0.000 2.343 21 V HA -0.257 3.919 4.120 0.094 0.000 0.247 21 V C 2.745 178.439 176.094 -0.667 0.000 1.051 21 V CA 1.666 63.544 62.300 -0.703 0.000 1.036 21 V CB -1.242 30.072 31.823 -0.848 0.000 0.654 21 V HN 0.726 nan 8.190 nan 0.000 0.451 22 A N -0.407 122.152 122.820 -0.434 0.000 1.940 22 A HA -0.272 4.105 4.320 0.094 0.000 0.219 22 A C 2.271 179.691 177.584 -0.273 0.000 1.176 22 A CA 2.118 53.967 52.037 -0.314 0.000 0.631 22 A CB -0.446 18.431 19.000 -0.206 0.000 0.814 22 A HN 0.556 nan 8.150 nan 0.000 0.446 23 K N -0.424 119.809 120.400 -0.278 0.000 2.026 23 K HA -0.069 4.308 4.320 0.094 0.000 0.208 23 K C 1.783 178.216 176.600 -0.279 0.000 1.048 23 K CA 1.597 57.739 56.287 -0.241 0.000 0.929 23 K CB -0.393 31.974 32.500 -0.222 0.000 0.713 23 K HN 0.549 nan 8.250 nan 0.000 0.439 24 I N 0.606 120.925 120.570 -0.420 0.000 2.163 24 I HA -0.317 3.909 4.170 0.094 0.000 0.243 24 I C 2.192 178.144 176.117 -0.274 0.000 1.085 24 I CA 1.207 62.261 61.300 -0.410 0.000 1.347 24 I CB -0.392 37.216 38.000 -0.654 0.000 1.044 24 I HN -0.039 nan 8.210 nan 0.000 0.408 25 V N -0.076 119.672 119.914 -0.278 0.000 2.343 25 V HA -0.307 3.869 4.120 0.094 0.000 0.247 25 V C 2.502 178.536 176.094 -0.100 0.000 1.051 25 V CA 2.502 64.716 62.300 -0.144 0.000 1.036 25 V CB -0.800 30.931 31.823 -0.153 0.000 0.654 25 V HN 0.476 nan 8.190 nan 0.000 0.451 26 T N -1.150 113.330 114.554 -0.124 0.000 2.915 26 T HA -0.187 4.219 4.350 0.094 0.000 0.269 26 T C 1.972 176.634 174.700 -0.063 0.000 1.071 26 T CA 1.562 63.611 62.100 -0.085 0.000 1.132 26 T CB -0.139 68.674 68.868 -0.092 0.000 0.878 26 T HN 0.461 nan 8.240 nan 0.000 0.479 27 K N 0.049 120.405 120.400 -0.074 0.000 2.103 27 K HA -0.005 4.371 4.320 0.094 0.000 0.204 27 K C 2.446 179.037 176.600 -0.016 0.000 1.052 27 K CA 0.609 56.870 56.287 -0.044 0.000 0.945 27 K CB 0.019 32.487 32.500 -0.053 0.000 0.722 27 K HN 0.030 nan 8.250 nan 0.000 0.443 28 R N 1.234 121.726 120.500 -0.012 0.000 2.120 28 R HA -0.106 4.290 4.340 0.094 0.000 0.234 28 R C 2.038 178.347 176.300 0.015 0.000 1.123 28 R CA 1.189 57.302 56.100 0.021 0.000 0.975 28 R CB -0.308 30.018 30.300 0.043 0.000 0.866 28 R HN 0.078 nan 8.270 nan 0.000 0.446 29 K N 1.255 121.654 120.400 -0.002 0.000 2.211 29 K HA -0.138 4.239 4.320 0.094 0.000 0.204 29 K C 1.598 178.198 176.600 -0.000 0.000 1.047 29 K CA 1.588 57.873 56.287 -0.002 0.000 0.935 29 K CB 0.032 32.523 32.500 -0.014 0.000 0.728 29 K HN 0.013 nan 8.250 nan 0.000 0.452 30 K N -0.180 120.218 120.400 -0.002 0.000 2.228 30 K HA -0.015 4.361 4.320 0.094 0.000 0.202 30 K C 1.683 178.288 176.600 0.008 0.000 1.051 30 K CA 1.231 57.519 56.287 0.001 0.000 0.960 30 K CB 0.178 32.676 32.500 -0.003 0.000 0.743 30 K HN 0.264 nan 8.250 nan 0.000 0.458 31 E N 0.051 120.259 120.200 0.014 0.000 2.140 31 E HA -0.034 4.372 4.350 0.094 0.000 0.191 31 E C -0.018 176.594 176.600 0.020 0.000 0.973 31 E CA 0.488 56.899 56.400 0.020 0.000 0.829 31 E CB 0.377 30.094 29.700 0.030 0.000 0.781 31 E HN 0.056 nan 8.360 nan 0.000 0.466 32 D N -0.413 120.000 120.400 0.022 0.000 2.757 32 D HA 0.048 4.745 4.640 0.094 0.000 0.249 32 D C -0.602 175.707 176.300 0.016 0.000 1.168 32 D CA -0.379 53.634 54.000 0.021 0.000 0.870 32 D CB 1.874 42.691 40.800 0.029 0.000 1.411 32 D HN -0.230 nan 8.370 nan 0.000 0.525 33 D N 1.440 121.847 120.400 0.012 0.000 2.277 33 D HA -0.048 4.649 4.640 0.094 0.000 0.208 33 D C -0.490 175.815 176.300 0.009 0.000 0.962 33 D CA 0.595 54.600 54.000 0.008 0.000 0.865 33 D CB 0.374 41.176 40.800 0.004 0.000 0.939 33 D HN 0.278 nan 8.370 nan 0.000 0.510 34 D N 0.694 121.101 120.400 0.013 0.000 2.479 34 D HA 0.149 4.845 4.640 0.094 0.000 0.218 34 D C -0.730 175.584 176.300 0.023 0.000 1.131 34 D CA -0.137 53.872 54.000 0.015 0.000 0.916 34 D CB 1.355 42.162 40.800 0.012 0.000 1.022 34 D HN -0.117 nan 8.370 nan 0.000 0.515 35 V N 2.414 122.342 119.914 0.023 0.000 2.444 35 V HA 0.330 4.506 4.120 0.094 0.000 0.294 35 V C 0.171 176.286 176.094 0.036 0.000 1.022 35 V CA -0.820 61.501 62.300 0.034 0.000 0.850 35 V CB 2.200 34.043 31.823 0.033 0.000 0.992 35 V HN 0.143 nan 8.190 nan 0.000 0.426 36 V N 5.552 125.493 119.914 0.046 0.000 2.459 36 V HA 0.544 4.721 4.120 0.094 0.000 0.295 36 V C -0.117 176.022 176.094 0.074 0.000 1.029 36 V CA -0.676 61.654 62.300 0.048 0.000 0.874 36 V CB 1.957 33.804 31.823 0.040 0.000 0.985 36 V HN 0.588 nan 8.190 nan 0.000 0.438 37 V N 4.943 124.906 119.914 0.082 0.000 2.532 37 V HA 0.553 4.730 4.120 0.094 0.000 0.295 37 V C -0.173 175.993 176.094 0.119 0.000 1.041 37 V CA -0.549 61.831 62.300 0.134 0.000 0.926 37 V CB 1.977 33.882 31.823 0.138 0.000 0.992 37 V HN 0.616 nan 8.190 nan 0.000 0.457 38 V N 4.613 124.616 119.914 0.149 0.000 2.540 38 V HA 0.590 4.766 4.120 0.094 0.000 0.302 38 V C -0.468 175.735 176.094 0.182 0.000 1.035 38 V CA -0.590 61.785 62.300 0.126 0.000 0.873 38 V CB 1.982 33.860 31.823 0.091 0.000 0.992 38 V HN 0.608 nan 8.190 nan 0.000 0.428 39 V N 4.310 124.318 119.914 0.157 0.000 2.709 39 V HA 0.614 4.790 4.120 0.094 0.000 0.308 39 V C 0.194 176.377 176.094 0.148 0.000 1.062 39 V CA -0.018 62.388 62.300 0.177 0.000 0.901 39 V CB 2.674 34.580 31.823 0.139 0.000 1.003 39 V HN 0.953 nan 8.190 nan 0.000 0.425 40 S N 3.911 119.700 115.700 0.150 0.000 2.624 40 S HA 0.704 5.230 4.470 0.094 0.000 0.263 40 S C 0.390 175.059 174.600 0.114 0.000 1.287 40 S CA 0.078 58.348 58.200 0.116 0.000 0.990 40 S CB 1.374 64.627 63.200 0.087 0.000 0.950 40 S HN 1.335 nan 8.310 nan 0.000 0.561 41 A N 1.649 124.529 122.820 0.099 0.000 2.466 41 A HA 0.260 4.636 4.320 0.094 0.000 0.238 41 A C 0.484 178.131 177.584 0.105 0.000 1.074 41 A CA -0.033 52.077 52.037 0.121 0.000 0.774 41 A CB -0.342 18.730 19.000 0.120 0.000 1.015 41 A HN 0.799 nan 8.150 nan 0.000 0.498 42 M N 1.617 121.286 119.600 0.114 0.000 2.245 42 M HA -0.020 4.517 4.480 0.094 0.000 0.335 42 M C 1.136 177.474 176.300 0.064 0.000 1.155 42 M CA 0.459 55.794 55.300 0.059 0.000 1.055 42 M CB 0.069 32.646 32.600 -0.038 0.000 1.670 42 M HN 0.855 nan 8.290 nan 0.000 0.447 43 S N 1.993 117.731 115.700 0.064 0.000 3.332 43 S HA -0.141 4.385 4.470 0.094 0.000 0.395 43 S C 0.870 175.518 174.600 0.080 0.000 1.180 43 S CA 0.858 59.100 58.200 0.070 0.000 0.985 43 S CB -0.153 63.088 63.200 0.068 0.000 0.694 43 S HN 0.830 nan 8.310 nan 0.000 0.502 44 E N 1.286 121.538 120.200 0.087 0.000 4.071 44 E HA -0.206 4.201 4.350 0.094 0.000 0.355 44 E C 0.739 177.444 176.600 0.175 0.000 0.653 44 E CA 1.482 57.951 56.400 0.115 0.000 1.298 44 E CB -1.916 27.859 29.700 0.125 0.000 1.712 44 E HN 0.840 nan 8.360 nan 0.000 0.416 45 V N -2.406 117.614 119.914 0.177 0.000 2.649 45 V HA -0.077 4.099 4.120 0.094 0.000 0.248 45 V C 1.891 178.130 176.094 0.242 0.000 1.054 45 V CA 2.170 64.623 62.300 0.254 0.000 1.073 45 V CB -0.482 31.483 31.823 0.238 0.000 0.699 45 V HN 0.257 nan 8.190 nan 0.000 0.463 46 T N 1.811 116.457 114.554 0.154 0.000 2.684 46 T HA -0.177 4.229 4.350 0.094 0.000 0.267 46 T C 1.843 176.616 174.700 0.122 0.000 1.036 46 T CA 2.200 64.372 62.100 0.120 0.000 1.148 46 T CB -0.608 68.252 68.868 -0.014 0.000 0.863 46 T HN 0.571 nan 8.240 nan 0.000 0.436 47 N N 1.628 120.386 118.700 0.097 0.000 2.094 47 N HA -0.067 4.729 4.740 0.094 0.000 0.191 47 N C 2.086 177.656 175.510 0.101 0.000 1.023 47 N CA 1.439 54.538 53.050 0.081 0.000 0.857 47 N CB -0.652 37.872 38.487 0.061 0.000 1.013 47 N HN 0.469 nan 8.380 nan 0.000 0.426 48 A N 0.766 123.692 122.820 0.177 0.000 1.969 48 A HA -0.016 4.360 4.320 0.094 0.000 0.218 48 A C 2.387 180.091 177.584 0.200 0.000 1.169 48 A CA 0.830 53.013 52.037 0.244 0.000 0.635 48 A CB -0.574 18.705 19.000 0.465 0.000 0.810 48 A HN 0.212 nan 8.150 nan 0.000 0.445 49 L N -0.837 120.522 121.223 0.226 0.000 2.109 49 L HA -0.110 4.287 4.340 0.094 0.000 0.207 49 L C 2.502 179.372 176.870 -0.001 0.000 1.086 49 L CA 0.657 55.557 54.840 0.101 0.000 0.760 49 L CB -0.446 41.752 42.059 0.232 0.000 0.910 49 L HN 0.223 nan 8.230 nan 0.000 0.437 50 V N 0.906 120.850 119.914 0.050 0.000 2.231 50 V HA -0.342 3.835 4.120 0.094 0.000 0.248 50 V C 2.542 178.620 176.094 -0.027 0.000 1.054 50 V CA 2.442 64.759 62.300 0.029 0.000 1.015 50 V CB -0.695 31.157 31.823 0.048 0.000 0.638 50 V HN 0.682 nan 8.190 nan 0.000 0.444 51 E N -0.065 120.111 120.200 -0.039 0.000 2.152 51 E HA -0.215 4.191 4.350 0.094 0.000 0.192 51 E C 2.092 178.614 176.600 -0.131 0.000 0.983 51 E CA 1.458 57.820 56.400 -0.063 0.000 0.818 51 E CB -0.382 29.293 29.700 -0.041 0.000 0.758 51 E HN 0.486 nan 8.360 nan 0.000 0.467 52 I N 1.355 121.773 120.570 -0.253 0.000 2.546 52 I HA -0.154 4.072 4.170 0.094 0.000 0.255 52 I C 1.908 177.862 176.117 -0.272 0.000 1.163 52 I CA 0.918 61.982 61.300 -0.394 0.000 1.457 52 I CB -0.131 37.261 38.000 -1.013 0.000 1.092 52 I HN 0.043 nan 8.210 nan 0.000 0.434 53 S N -0.048 115.533 115.700 -0.197 0.000 2.368 53 S HA -0.250 4.276 4.470 0.094 0.000 0.225 53 S C 1.913 176.469 174.600 -0.073 0.000 1.030 53 S CA 1.425 59.560 58.200 -0.108 0.000 0.999 53 S CB -0.322 62.848 63.200 -0.050 0.000 0.844 53 S HN 0.480 nan 8.310 nan 0.000 0.459 54 Q N 1.195 120.957 119.800 -0.064 0.000 2.123 54 Q HA 0.004 4.400 4.340 0.094 0.000 0.199 54 Q C 2.105 178.077 176.000 -0.046 0.000 0.966 54 Q CA 1.430 57.208 55.803 -0.042 0.000 0.845 54 Q CB -0.234 28.485 28.738 -0.030 0.000 0.907 54 Q HN 0.568 nan 8.270 nan 0.000 0.439 55 Q N -1.031 118.729 119.800 -0.067 0.000 2.046 55 Q HA -0.048 4.348 4.340 0.094 0.000 0.200 55 Q C 2.001 177.971 176.000 -0.051 0.000 0.975 55 Q CA 1.344 57.112 55.803 -0.058 0.000 0.836 55 Q CB -0.234 28.460 28.738 -0.073 0.000 0.896 55 Q HN 0.460 nan 8.270 nan 0.000 0.428 56 A N 0.723 123.500 122.820 -0.071 0.000 1.908 56 A HA -0.196 4.180 4.320 0.094 0.000 0.218 56 A C 2.024 179.593 177.584 -0.026 0.000 1.181 56 A CA 1.296 53.301 52.037 -0.053 0.000 0.627 56 A CB -0.652 18.301 19.000 -0.078 0.000 0.818 56 A HN 0.375 nan 8.150 nan 0.000 0.445 57 L N -0.125 121.081 121.223 -0.028 0.000 1.988 57 L HA -0.130 4.266 4.340 0.094 0.000 0.207 57 L C 1.785 178.651 176.870 -0.007 0.000 1.071 57 L CA 2.657 57.488 54.840 -0.014 0.000 0.744 57 L CB -0.591 41.459 42.059 -0.016 0.000 0.893 57 L HN 0.339 nan 8.230 nan 0.000 0.433 58 D N -0.480 119.913 120.400 -0.012 0.000 2.087 58 D HA -0.120 4.576 4.640 0.094 0.000 0.201 58 D C 2.217 178.515 176.300 -0.004 0.000 0.980 58 D CA 2.189 56.184 54.000 -0.007 0.000 0.849 58 D CB -0.726 40.068 40.800 -0.010 0.000 1.001 58 D HN 0.395 nan 8.370 nan 0.000 0.452 59 V N -0.968 118.942 119.914 -0.007 0.000 2.548 59 V HA 0.023 4.199 4.120 0.094 0.000 0.249 59 V C 0.734 176.831 176.094 0.006 0.000 1.055 59 V CA 1.070 63.368 62.300 -0.002 0.000 1.065 59 V CB -0.613 31.206 31.823 -0.005 0.000 0.681 59 V HN 0.282 nan 8.190 nan 0.000 0.462 60 R N 0.188 120.692 120.500 0.007 0.000 3.774 60 R HA -0.152 4.244 4.340 0.094 0.000 0.320 60 R C -0.081 176.240 176.300 0.035 0.000 1.175 60 R CA 0.974 57.089 56.100 0.025 0.000 0.849 60 R CB -2.555 27.768 30.300 0.038 0.000 1.365 60 R HN 0.699 nan 8.270 nan 0.000 0.502 61 D N 0.741 121.152 120.400 0.019 0.000 2.336 61 D HA 0.150 4.846 4.640 0.094 0.000 0.249 61 D C 1.222 177.538 176.300 0.026 0.000 1.213 61 D CA -0.188 53.826 54.000 0.023 0.000 0.870 61 D CB 0.556 41.364 40.800 0.013 0.000 1.076 61 D HN 0.209 nan 8.370 nan 0.000 0.483 62 I N 2.954 123.550 120.570 0.043 0.000 2.394 62 I HA -0.182 4.044 4.170 0.094 0.000 0.251 62 I C 2.277 178.411 176.117 0.028 0.000 1.136 62 I CA 0.884 62.206 61.300 0.038 0.000 1.425 62 I CB -0.111 37.932 38.000 0.071 0.000 1.079 62 I HN 0.388 nan 8.210 nan 0.000 0.425 63 A N 0.474 123.312 122.820 0.031 0.000 2.072 63 A HA -0.106 4.271 4.320 0.094 0.000 0.216 63 A C 2.338 179.943 177.584 0.034 0.000 1.156 63 A CA 0.993 53.047 52.037 0.029 0.000 0.701 63 A CB -0.335 18.680 19.000 0.025 0.000 0.816 63 A HN 0.326 nan 8.150 nan 0.000 0.458 64 K N -0.290 120.129 120.400 0.030 0.000 2.155 64 K HA -0.010 4.366 4.320 0.094 0.000 0.203 64 K C 1.655 178.293 176.600 0.063 0.000 1.052 64 K CA 1.144 57.452 56.287 0.035 0.000 0.948 64 K CB -0.128 32.380 32.500 0.013 0.000 0.728 64 K HN 0.199 nan 8.250 nan 0.000 0.448 65 V N 0.509 120.452 119.914 0.048 0.000 2.343 65 V HA -0.178 3.998 4.120 0.094 0.000 0.247 65 V C 2.302 178.477 176.094 0.135 0.000 1.051 65 V CA 2.183 64.529 62.300 0.077 0.000 1.036 65 V CB -0.786 31.045 31.823 0.014 0.000 0.654 65 V HN 0.596 nan 8.190 nan 0.000 0.451 66 G N -0.480 108.365 108.800 0.074 0.000 2.422 66 G HA2 -0.249 3.768 3.960 0.094 0.000 0.218 66 G HA3 -0.249 3.768 3.960 0.094 0.000 0.218 66 G C 1.233 176.172 174.900 0.065 0.000 1.146 66 G CA 0.993 46.125 45.100 0.054 0.000 0.769 66 G HN 0.496 nan 8.290 nan 0.000 0.547 67 D N 0.031 120.480 120.400 0.081 0.000 2.123 67 D HA -0.120 4.576 4.640 0.094 0.000 0.196 67 D C 1.946 178.325 176.300 0.132 0.000 0.992 67 D CA 0.620 54.669 54.000 0.083 0.000 0.833 67 D CB -0.397 40.444 40.800 0.069 0.000 0.954 67 D HN 0.323 nan 8.370 nan 0.000 0.455 68 F N 1.429 121.402 119.950 0.037 0.000 2.102 68 F HA -0.175 4.406 4.527 0.090 0.000 0.298 68 F C 2.075 177.948 175.800 0.122 0.000 1.105 68 F CA 0.977 59.031 58.000 0.089 0.000 1.239 68 F CB -0.132 38.893 39.000 0.042 0.000 0.991 68 F HN -0.168 nan 8.300 nan 0.000 0.474 69 I N 0.905 121.469 120.570 -0.010 0.000 2.208 69 I HA -0.306 3.921 4.170 0.094 0.000 0.245 69 I C 2.216 178.208 176.117 -0.210 0.000 1.097 69 I CA 1.628 62.835 61.300 -0.156 0.000 1.363 69 I CB -1.322 36.657 38.000 -0.036 0.000 1.051 69 I HN 0.255 nan 8.210 nan 0.000 0.413 70 K N -0.161 120.172 120.400 -0.111 0.000 2.103 70 K HA -0.173 4.203 4.320 0.094 0.000 0.204 70 K C 2.096 178.626 176.600 -0.116 0.000 1.052 70 K CA 1.070 57.288 56.287 -0.115 0.000 0.945 70 K CB -0.393 32.076 32.500 -0.051 0.000 0.722 70 K HN 0.168 nan 8.250 nan 0.000 0.443 71 F N 1.759 121.583 119.950 -0.210 0.000 2.126 71 F HA -0.220 4.301 4.527 -0.010 0.000 0.299 71 F C 1.726 177.383 175.800 -0.239 0.000 1.096 71 F CA 1.278 59.158 58.000 -0.199 0.000 1.255 71 F CB -0.052 38.843 39.000 -0.175 0.000 0.997 71 F HN -0.108 nan 8.300 nan 0.000 0.479 72 I N 0.590 120.824 120.570 -0.560 0.000 2.252 72 I HA -0.222 4.004 4.170 0.094 0.000 0.245 72 I C 2.621 178.564 176.117 -0.289 0.000 1.102 72 I CA 1.324 62.311 61.300 -0.522 0.000 1.385 72 I CB -1.143 36.550 38.000 -0.512 0.000 1.064 72 I HN 0.233 nan 8.210 nan 0.000 0.414 73 R N 1.006 121.298 120.500 -0.346 0.000 2.083 73 R HA -0.196 4.201 4.340 0.094 0.000 0.237 73 R C 2.079 178.094 176.300 -0.475 0.000 1.137 73 R CA 1.703 57.526 56.100 -0.461 0.000 0.951 73 R CB -0.034 29.943 30.300 -0.538 0.000 0.851 73 R HN 0.389 nan 8.270 nan 0.000 0.434 74 E N -0.170 119.820 120.200 -0.350 0.000 2.208 74 E HA -0.165 4.241 4.350 0.094 0.000 0.193 74 E C 1.889 178.380 176.600 -0.182 0.000 0.988 74 E CA 0.776 57.045 56.400 -0.218 0.000 0.828 74 E CB 0.116 29.728 29.700 -0.147 0.000 0.763 74 E HN 0.253 nan 8.360 nan 0.000 0.478 75 K N 0.076 120.283 120.400 -0.323 0.000 2.062 75 K HA -0.146 4.230 4.320 0.094 0.000 0.205 75 K C 1.630 178.042 176.600 -0.313 0.000 1.051 75 K CA 1.282 57.336 56.287 -0.388 0.000 0.941 75 K CB 0.063 32.153 32.500 -0.683 0.000 0.719 75 K HN 0.173 nan 8.250 nan 0.000 0.440 76 H N -1.658 117.332 119.070 -0.132 0.000 2.448 76 H HA -0.018 4.603 4.556 0.109 0.000 0.292 76 H C 1.519 176.927 175.328 0.133 0.000 1.035 76 H CA 1.211 57.253 56.048 -0.010 0.000 1.349 76 H CB 0.065 29.821 29.762 -0.009 0.000 1.425 76 H HN 0.145 nan 8.280 nan 0.000 0.539 77 Y N 1.375 121.681 120.300 0.010 0.000 2.097 77 Y HA -0.205 4.401 4.550 0.094 0.000 0.282 77 Y C 2.510 178.390 175.900 -0.033 0.000 1.152 77 Y CA 1.252 59.344 58.100 -0.014 0.000 1.136 77 Y CB -0.465 37.980 38.460 -0.026 0.000 0.975 77 Y HN 0.107 nan 8.280 nan 0.000 0.498 78 K N -0.034 120.436 120.400 0.117 0.000 2.152 78 K HA -0.175 4.201 4.320 0.094 0.000 0.206 78 K C 2.178 178.778 176.600 0.000 0.000 1.048 78 K CA 1.096 57.402 56.287 0.031 0.000 0.933 78 K CB -0.174 32.322 32.500 -0.008 0.000 0.721 78 K HN 0.256 nan 8.250 nan 0.000 0.447 79 A N 1.321 124.134 122.820 -0.012 0.000 1.873 79 A HA -0.113 4.263 4.320 0.094 0.000 0.215 79 A C 2.051 179.630 177.584 -0.008 0.000 1.186 79 A CA 1.290 53.310 52.037 -0.028 0.000 0.616 79 A CB -0.521 18.442 19.000 -0.062 0.000 0.823 79 A HN 0.300 nan 8.150 nan 0.000 0.442 80 I N -0.550 120.027 120.570 0.012 0.000 2.151 80 I HA -0.292 3.935 4.170 0.094 0.000 0.243 80 I C 2.571 178.668 176.117 -0.033 0.000 1.080 80 I CA 1.944 63.235 61.300 -0.014 0.000 1.339 80 I CB -0.283 37.694 38.000 -0.037 0.000 1.039 80 I HN 0.359 nan 8.210 nan 0.000 0.409 81 E N 1.095 121.276 120.200 -0.032 0.000 2.110 81 E HA -0.222 4.184 4.350 0.094 0.000 0.193 81 E C 1.793 178.378 176.600 -0.025 0.000 0.988 81 E CA 1.472 57.852 56.400 -0.033 0.000 0.804 81 E CB 0.002 29.688 29.700 -0.023 0.000 0.745 81 E HN 0.467 nan 8.360 nan 0.000 0.458 82 E N -1.626 118.562 120.200 -0.020 0.000 2.479 82 E HA 0.182 4.589 4.350 0.094 0.000 0.193 82 E C 1.073 177.660 176.600 -0.021 0.000 1.049 82 E CA 0.417 56.807 56.400 -0.018 0.000 0.870 82 E CB 0.613 30.304 29.700 -0.015 0.000 0.944 82 E HN 0.275 nan 8.360 nan 0.000 0.492 83 A N 0.383 123.187 122.820 -0.027 0.000 2.127 83 A HA 0.269 4.646 4.320 0.094 0.000 0.204 83 A C 0.769 178.330 177.584 -0.038 0.000 1.243 83 A CA 0.005 52.021 52.037 -0.034 0.000 0.887 83 A CB 0.586 19.563 19.000 -0.037 0.000 0.933 83 A HN 0.036 nan 8.150 nan 0.000 0.479 84 I N -0.334 120.215 120.570 -0.036 0.000 2.465 84 I HA 0.287 4.513 4.170 0.094 0.000 0.291 84 I C 0.663 176.759 176.117 -0.035 0.000 1.014 84 I CA -0.472 60.805 61.300 -0.038 0.000 1.093 84 I CB 2.272 40.248 38.000 -0.039 0.000 1.267 84 I HN 0.064 nan 8.210 nan 0.000 0.431 85 K N 2.023 122.403 120.400 -0.033 0.000 2.078 85 K HA 0.041 4.418 4.320 0.094 0.000 0.203 85 K C 0.992 177.574 176.600 -0.030 0.000 1.043 85 K CA 0.467 56.737 56.287 -0.029 0.000 0.960 85 K CB 0.129 32.613 32.500 -0.025 0.000 0.761 85 K HN 0.590 nan 8.250 nan 0.000 0.448 86 S N 1.781 117.463 115.700 -0.030 0.000 2.596 86 S HA -0.069 4.458 4.470 0.094 0.000 0.298 86 S C 0.993 175.573 174.600 -0.033 0.000 1.255 86 S CA -0.255 57.927 58.200 -0.029 0.000 1.083 86 S CB 0.410 63.593 63.200 -0.028 0.000 0.837 86 S HN 0.118 nan 8.310 nan 0.000 0.499 87 E N 3.883 124.064 120.200 -0.032 0.000 2.110 87 E HA -0.157 4.249 4.350 0.094 0.000 0.193 87 E C 1.777 178.354 176.600 -0.038 0.000 0.988 87 E CA 1.257 57.636 56.400 -0.036 0.000 0.804 87 E CB -0.230 29.451 29.700 -0.032 0.000 0.745 87 E HN 0.949 nan 8.360 nan 0.000 0.458 88 E N 0.403 120.584 120.200 -0.031 0.000 2.077 88 E HA -0.142 4.264 4.350 0.094 0.000 0.193 88 E C 2.183 178.764 176.600 -0.032 0.000 0.989 88 E CA 0.743 57.126 56.400 -0.029 0.000 0.800 88 E CB -0.012 29.674 29.700 -0.023 0.000 0.746 88 E HN 0.195 nan 8.360 nan 0.000 0.452 89 I N 0.527 121.077 120.570 -0.033 0.000 2.233 89 I HA -0.238 3.988 4.170 0.094 0.000 0.243 89 I C 2.390 178.482 176.117 -0.042 0.000 1.093 89 I CA 0.966 62.246 61.300 -0.034 0.000 1.380 89 I CB -0.167 37.814 38.000 -0.032 0.000 1.067 89 I HN 0.033 nan 8.210 nan 0.000 0.413 90 K N 0.732 121.102 120.400 -0.050 0.000 2.020 90 K HA -0.291 4.085 4.320 0.094 0.000 0.212 90 K C 2.068 178.619 176.600 -0.083 0.000 1.050 90 K CA 2.014 58.259 56.287 -0.069 0.000 0.929 90 K CB -0.267 32.187 32.500 -0.077 0.000 0.714 90 K HN 0.289 nan 8.250 nan 0.000 0.443 91 E N 0.811 120.968 120.200 -0.072 0.000 2.118 91 E HA -0.266 4.141 4.350 0.094 0.000 0.195 91 E C 2.034 178.602 176.600 -0.054 0.000 0.992 91 E CA 1.291 57.649 56.400 -0.070 0.000 0.804 91 E CB 0.111 29.780 29.700 -0.052 0.000 0.741 91 E HN 0.313 nan 8.360 nan 0.000 0.458 92 E N -0.365 119.810 120.200 -0.041 0.000 2.072 92 E HA -0.127 4.279 4.350 0.094 0.000 0.190 92 E C 2.065 178.650 176.600 -0.025 0.000 0.982 92 E CA 1.021 57.404 56.400 -0.028 0.000 0.803 92 E CB 0.287 29.973 29.700 -0.023 0.000 0.755 92 E HN 0.157 nan 8.360 nan 0.000 0.453 93 V N 1.289 121.184 119.914 -0.031 0.000 2.548 93 V HA -0.168 4.009 4.120 0.094 0.000 0.249 93 V C 2.383 178.464 176.094 -0.022 0.000 1.055 93 V CA 1.507 63.795 62.300 -0.021 0.000 1.065 93 V CB -0.357 31.453 31.823 -0.021 0.000 0.681 93 V HN 0.198 nan 8.190 nan 0.000 0.462 94 K N 0.201 120.564 120.400 -0.062 0.000 2.147 94 K HA -0.202 4.175 4.320 0.094 0.000 0.205 94 K C 2.210 178.799 176.600 -0.018 0.000 1.049 94 K CA 1.397 57.628 56.287 -0.093 0.000 0.936 94 K CB -0.027 32.334 32.500 -0.230 0.000 0.722 94 K HN 0.387 nan 8.250 nan 0.000 0.446 95 K N 0.458 120.848 120.400 -0.016 0.000 2.025 95 K HA -0.084 4.293 4.320 0.094 0.000 0.207 95 K C 2.063 178.679 176.600 0.026 0.000 1.049 95 K CA 1.506 57.798 56.287 0.009 0.000 0.933 95 K CB -0.113 32.387 32.500 0.001 0.000 0.714 95 K HN 0.102 nan 8.250 nan 0.000 0.438 96 I N 0.750 121.332 120.570 0.020 0.000 2.118 96 I HA -0.323 3.903 4.170 0.094 0.000 0.241 96 I C 2.114 178.255 176.117 0.040 0.000 1.070 96 I CA 1.164 62.481 61.300 0.028 0.000 1.327 96 I CB -0.296 37.716 38.000 0.020 0.000 1.034 96 I HN 0.090 nan 8.210 nan 0.000 0.405 97 I N 0.802 121.397 120.570 0.042 0.000 2.208 97 I HA -0.330 3.897 4.170 0.094 0.000 0.245 97 I C 2.049 178.201 176.117 0.058 0.000 1.097 97 I CA 1.751 63.079 61.300 0.046 0.000 1.363 97 I CB -0.569 37.485 38.000 0.090 0.000 1.051 97 I HN 0.215 nan 8.210 nan 0.000 0.413 98 D N -0.298 120.153 120.400 0.085 0.000 2.117 98 D HA -0.109 4.588 4.640 0.094 0.000 0.198 98 D C 2.407 178.735 176.300 0.047 0.000 0.982 98 D CA 1.329 55.375 54.000 0.075 0.000 0.828 98 D CB -0.193 40.662 40.800 0.091 0.000 0.967 98 D HN 0.225 nan 8.370 nan 0.000 0.464 99 S N 0.537 116.270 115.700 0.054 0.000 2.399 99 S HA -0.111 4.415 4.470 0.094 0.000 0.231 99 S C 1.893 176.551 174.600 0.095 0.000 1.022 99 S CA 0.781 59.020 58.200 0.066 0.000 0.983 99 S CB 0.122 63.363 63.200 0.067 0.000 0.803 99 S HN 0.192 nan 8.310 nan 0.000 0.480 100 R N 1.067 121.629 120.500 0.103 0.000 2.073 100 R HA 0.180 4.577 4.340 0.094 0.000 0.229 100 R C 2.182 178.481 176.300 -0.002 0.000 1.120 100 R CA 0.850 57.065 56.100 0.191 0.000 0.967 100 R CB -1.017 29.405 30.300 0.204 0.000 0.862 100 R HN 0.436 nan 8.270 nan 0.000 0.436 101 I N 1.349 121.880 120.570 -0.065 0.000 2.286 101 I HA -0.230 3.996 4.170 0.094 0.000 0.248 101 I C 2.269 178.312 176.117 -0.124 0.000 1.115 101 I CA 1.140 62.352 61.300 -0.147 0.000 1.392 101 I CB -0.219 37.705 38.000 -0.126 0.000 1.065 101 I HN 0.111 nan 8.210 nan 0.000 0.418 102 E N 0.973 121.144 120.200 -0.049 0.000 2.038 102 E HA -0.266 4.141 4.350 0.094 0.000 0.195 102 E C 2.056 178.639 176.600 -0.027 0.000 1.000 102 E CA 1.621 58.007 56.400 -0.023 0.000 0.803 102 E CB -0.330 29.380 29.700 0.017 0.000 0.750 102 E HN 0.585 nan 8.360 nan 0.000 0.448 103 E N 0.961 121.171 120.200 0.017 0.000 2.051 103 E HA -0.134 4.273 4.350 0.094 0.000 0.192 103 E C 2.342 178.894 176.600 -0.080 0.000 0.991 103 E CA 0.522 56.986 56.400 0.107 0.000 0.799 103 E CB -0.180 29.748 29.700 0.380 0.000 0.748 103 E HN 0.137 nan 8.360 nan 0.000 0.449 104 L N 1.003 121.897 121.223 -0.548 0.000 2.013 104 L HA -0.284 4.112 4.340 0.094 0.000 0.212 104 L C 2.592 179.305 176.870 -0.261 0.000 1.073 104 L CA 1.708 56.086 54.840 -0.769 0.000 0.753 104 L CB -0.213 41.322 42.059 -0.873 0.000 0.890 104 L HN 0.225 nan 8.230 nan 0.000 0.432 105 E N -0.143 119.958 120.200 -0.165 0.000 2.051 105 E HA -0.259 4.147 4.350 0.094 0.000 0.192 105 E C 2.184 178.737 176.600 -0.079 0.000 0.991 105 E CA 1.320 57.670 56.400 -0.084 0.000 0.799 105 E CB 0.095 29.756 29.700 -0.066 0.000 0.748 105 E HN 0.373 nan 8.360 nan 0.000 0.449 106 K N -0.103 120.261 120.400 -0.060 0.000 2.063 106 K HA -0.132 4.244 4.320 0.094 0.000 0.208 106 K C 2.138 178.707 176.600 -0.050 0.000 1.048 106 K CA 1.443 57.699 56.287 -0.052 0.000 0.928 106 K CB -0.027 32.468 32.500 -0.008 0.000 0.713 106 K HN 0.074 nan 8.250 nan 0.000 0.442 107 V N 1.780 121.697 119.914 0.005 0.000 2.358 107 V HA -0.208 3.969 4.120 0.094 0.000 0.246 107 V C 2.205 178.290 176.094 -0.016 0.000 1.047 107 V CA 1.447 63.773 62.300 0.044 0.000 1.035 107 V CB -0.382 31.574 31.823 0.222 0.000 0.658 107 V HN 0.264 nan 8.190 nan 0.000 0.452 108 L N -0.685 120.509 121.223 -0.048 0.000 2.046 108 L HA -0.168 4.228 4.340 0.094 0.000 0.208 108 L C 2.353 179.157 176.870 -0.110 0.000 1.077 108 L CA 1.660 56.456 54.840 -0.074 0.000 0.747 108 L CB -0.457 41.554 42.059 -0.080 0.000 0.896 108 L HN 0.260 nan 8.230 nan 0.000 0.432 109 I N -0.304 120.167 120.570 -0.165 0.000 2.252 109 I HA -0.195 4.031 4.170 0.094 0.000 0.245 109 I C 2.630 178.505 176.117 -0.403 0.000 1.102 109 I CA 1.361 62.465 61.300 -0.326 0.000 1.385 109 I CB -0.804 36.954 38.000 -0.404 0.000 1.064 109 I HN 0.263 nan 8.210 nan 0.000 0.414 110 G N 0.497 109.151 108.800 -0.244 0.000 2.442 110 G HA2 -0.202 3.815 3.960 0.094 0.000 0.219 110 G HA3 -0.202 3.815 3.960 0.094 0.000 0.219 110 G C 1.702 176.577 174.900 -0.042 0.000 1.141 110 G CA 1.001 46.025 45.100 -0.126 0.000 0.763 110 G HN 0.252 nan 8.290 nan 0.000 0.554 111 V N 1.446 121.333 119.914 -0.046 0.000 2.307 111 V HA -0.107 4.069 4.120 0.094 0.000 0.245 111 V C 3.326 179.427 176.094 0.012 0.000 1.045 111 V CA 1.990 64.281 62.300 -0.016 0.000 1.024 111 V CB -0.888 30.920 31.823 -0.025 0.000 0.651 111 V HN 0.480 nan 8.190 nan 0.000 0.449 112 A N -0.907 121.914 122.820 0.002 0.000 1.908 112 A HA -0.238 4.139 4.320 0.094 0.000 0.218 112 A C 2.144 179.846 177.584 0.197 0.000 1.181 112 A CA 1.923 53.999 52.037 0.066 0.000 0.627 112 A CB -0.768 18.261 19.000 0.047 0.000 0.818 112 A HN 0.537 nan 8.150 nan 0.000 0.445 113 Y N -1.115 119.178 120.300 -0.011 0.000 2.224 113 Y HA -0.084 4.523 4.550 0.095 0.000 0.289 113 Y C 2.180 178.072 175.900 -0.012 0.000 1.146 113 Y CA 0.767 58.861 58.100 -0.010 0.000 1.182 113 Y CB -0.638 37.817 38.460 -0.008 0.000 0.983 113 Y HN 0.210 nan 8.280 nan 0.000 0.524 114 L N -0.923 120.390 121.223 0.150 0.000 2.209 114 L HA 0.164 4.561 4.340 0.094 0.000 0.207 114 L C 1.803 178.697 176.870 0.040 0.000 1.094 114 L CA 1.493 56.374 54.840 0.068 0.000 0.790 114 L CB -1.060 41.023 42.059 0.040 0.000 0.932 114 L HN 0.340 nan 8.230 nan 0.000 0.447 115 G N 0.339 109.164 108.800 0.041 0.000 2.221 115 G HA2 -0.317 3.700 3.960 0.094 0.000 0.265 115 G HA3 -0.317 3.700 3.960 0.094 0.000 0.265 115 G C 0.279 175.184 174.900 0.008 0.000 1.041 115 G CA 0.634 45.747 45.100 0.022 0.000 0.807 115 G HN 0.403 nan 8.290 nan 0.000 0.502 116 E N -0.978 119.225 120.200 0.004 0.000 2.263 116 E HA 0.604 5.010 4.350 0.094 0.000 0.268 116 E C -1.141 175.449 176.600 -0.017 0.000 0.884 116 E CA -1.082 55.313 56.400 -0.008 0.000 0.766 116 E CB 1.206 30.899 29.700 -0.012 0.000 1.196 116 E HN 0.363 nan 8.360 nan 0.000 0.416 117 L N 4.990 126.201 121.223 -0.020 0.000 2.417 117 L HA 0.356 4.753 4.340 0.094 0.000 0.259 117 L C -0.465 176.384 176.870 -0.035 0.000 1.023 117 L CA -0.203 54.621 54.840 -0.027 0.000 0.901 117 L CB 1.119 43.167 42.059 -0.018 0.000 1.227 117 L HN 0.613 nan 8.230 nan 0.000 0.454 118 T N 1.499 116.016 114.554 -0.062 0.000 2.860 118 T HA 0.328 4.734 4.350 0.094 0.000 0.299 118 T C -1.729 172.913 174.700 -0.096 0.000 1.045 118 T CA -1.262 60.790 62.100 -0.081 0.000 1.071 118 T CB 0.682 69.474 68.868 -0.127 0.000 0.985 118 T HN 0.368 nan 8.240 nan 0.000 0.537 119 P HA -0.134 nan 4.420 nan 0.000 0.217 119 P C 1.523 178.697 177.300 -0.210 0.000 1.151 119 P CA 1.181 64.263 63.100 -0.029 0.000 0.849 119 P CB 0.075 31.835 31.700 0.100 0.000 0.787 120 K N -0.518 119.526 120.400 -0.593 0.000 2.026 120 K HA -0.102 4.274 4.320 0.094 0.000 0.208 120 K C 2.109 178.418 176.600 -0.485 0.000 1.048 120 K CA 1.739 57.334 56.287 -1.154 0.000 0.929 120 K CB -0.391 31.352 32.500 -1.261 0.000 0.713 120 K HN -0.014 nan 8.250 nan 0.000 0.439 121 S N 0.573 116.108 115.700 -0.275 0.000 2.368 121 S HA -0.084 4.443 4.470 0.094 0.000 0.225 121 S C 1.845 176.457 174.600 0.021 0.000 1.030 121 S CA 0.937 59.086 58.200 -0.085 0.000 0.999 121 S CB -0.196 62.961 63.200 -0.071 0.000 0.844 121 S HN 0.324 nan 8.310 nan 0.000 0.459 122 R N 0.933 121.426 120.500 -0.011 0.000 2.094 122 R HA -0.141 4.256 4.340 0.094 0.000 0.239 122 R C 1.862 178.208 176.300 0.077 0.000 1.137 122 R CA 1.884 58.009 56.100 0.041 0.000 0.943 122 R CB -0.412 29.912 30.300 0.040 0.000 0.850 122 R HN 0.295 nan 8.270 nan 0.000 0.433 123 D N -0.722 119.714 120.400 0.059 0.000 2.117 123 D HA -0.192 4.505 4.640 0.094 0.000 0.197 123 D C 1.592 177.939 176.300 0.078 0.000 0.987 123 D CA 1.068 55.114 54.000 0.077 0.000 0.829 123 D CB -0.358 40.536 40.800 0.157 0.000 0.961 123 D HN 0.203 nan 8.370 nan 0.000 0.460 124 Y N 1.194 121.479 120.300 -0.025 0.000 2.128 124 Y HA -0.199 4.409 4.550 0.098 0.000 0.284 124 Y C 2.186 178.157 175.900 0.119 0.000 1.154 124 Y CA 1.357 59.454 58.100 -0.005 0.000 1.149 124 Y CB -0.444 38.016 38.460 -0.000 0.000 0.976 124 Y HN -0.044 nan 8.280 nan 0.000 0.505 125 I N -0.517 120.168 120.570 0.191 0.000 2.226 125 I HA -0.346 3.880 4.170 0.094 0.000 0.245 125 I C 2.348 178.619 176.117 0.256 0.000 1.100 125 I CA 1.301 62.756 61.300 0.257 0.000 1.374 125 I CB -0.461 37.634 38.000 0.158 0.000 1.057 125 I HN 0.239 nan 8.210 nan 0.000 0.413 126 L N 0.387 121.717 121.223 0.179 0.000 2.083 126 L HA -0.188 4.209 4.340 0.094 0.000 0.209 126 L C 2.759 179.776 176.870 0.246 0.000 1.083 126 L CA 1.624 56.613 54.840 0.249 0.000 0.752 126 L CB -0.737 41.513 42.059 0.318 0.000 0.899 126 L HN 0.396 nan 8.230 nan 0.000 0.433 127 S N -0.410 115.306 115.700 0.027 0.000 2.469 127 S HA -0.168 4.358 4.470 0.094 0.000 0.238 127 S C 1.766 176.290 174.600 -0.127 0.000 0.998 127 S CA 0.766 58.906 58.200 -0.099 0.000 0.957 127 S CB -0.689 62.334 63.200 -0.294 0.000 0.764 127 S HN 0.288 nan 8.310 nan 0.000 0.514 128 F N 2.790 122.714 119.950 -0.043 0.000 2.216 128 F HA 0.126 4.707 4.527 0.091 0.000 0.300 128 F C 2.734 178.542 175.800 0.013 0.000 1.085 128 F CA 0.671 58.639 58.000 -0.054 0.000 1.326 128 F CB -1.163 37.794 39.000 -0.072 0.000 1.027 128 F HN 0.356 nan 8.300 nan 0.000 0.497 129 G N -0.047 108.908 108.800 0.258 0.000 2.586 129 G HA2 -0.325 3.692 3.960 0.094 0.000 0.218 129 G HA3 -0.325 3.692 3.960 0.094 0.000 0.218 129 G C 1.504 176.511 174.900 0.178 0.000 1.216 129 G CA 1.262 46.496 45.100 0.223 0.000 0.786 129 G HN 0.264 nan 8.290 nan 0.000 0.583 130 E N 0.059 120.363 120.200 0.174 0.000 2.150 130 E HA 0.017 4.423 4.350 0.094 0.000 0.193 130 E C 2.649 179.295 176.600 0.077 0.000 0.985 130 E CA 0.539 57.021 56.400 0.138 0.000 0.814 130 E CB -0.120 29.683 29.700 0.171 0.000 0.752 130 E HN 0.394 nan 8.360 nan 0.000 0.466 131 R N -0.438 120.081 120.500 0.031 0.000 2.236 131 R HA 0.084 4.480 4.340 0.094 0.000 0.208 131 R C 1.711 178.021 176.300 0.016 0.000 1.036 131 R CA 0.504 56.595 56.100 -0.016 0.000 1.001 131 R CB 0.044 30.261 30.300 -0.138 0.000 0.896 131 R HN 0.174 nan 8.270 nan 0.000 0.464 132 L N -0.557 120.679 121.223 0.021 0.000 2.354 132 L HA 0.012 4.409 4.340 0.094 0.000 0.212 132 L C 2.240 179.136 176.870 0.044 0.000 1.091 132 L CA 0.683 55.480 54.840 -0.072 0.000 0.828 132 L CB 0.060 41.888 42.059 -0.385 0.000 0.973 132 L HN 0.187 nan 8.230 nan 0.000 0.461 133 S N -1.205 114.569 115.700 0.124 0.000 2.421 133 S HA -0.107 4.419 4.470 0.094 0.000 0.224 133 S C 2.171 176.822 174.600 0.086 0.000 1.035 133 S CA 0.628 58.921 58.200 0.154 0.000 0.953 133 S CB -0.340 62.954 63.200 0.156 0.000 0.810 133 S HN 0.417 nan 8.310 nan 0.000 0.497 134 S N 3.517 119.257 115.700 0.067 0.000 2.370 134 S HA 0.023 4.550 4.470 0.094 0.000 0.226 134 S C -0.747 173.868 174.600 0.026 0.000 1.033 134 S CA 1.142 59.369 58.200 0.044 0.000 1.011 134 S CB -2.055 61.170 63.200 0.042 0.000 0.852 134 S HN 0.469 nan 8.310 nan 0.000 0.457 135 P HA 0.128 nan 4.420 nan 0.000 0.221 135 P C 1.340 178.646 177.300 0.011 0.000 1.150 135 P CA 0.709 63.818 63.100 0.015 0.000 0.800 135 P CB -0.180 31.530 31.700 0.017 0.000 0.787 136 I N -1.348 119.238 120.570 0.026 0.000 2.286 136 I HA -0.179 4.048 4.170 0.094 0.000 0.245 136 I C 2.167 178.276 176.117 -0.013 0.000 1.104 136 I CA 0.960 62.271 61.300 0.018 0.000 1.397 136 I CB -0.601 37.430 38.000 0.051 0.000 1.072 136 I HN -0.055 nan 8.210 nan 0.000 0.417 137 L N 0.183 121.395 121.223 -0.019 0.000 2.072 137 L HA -0.135 4.262 4.340 0.094 0.000 0.205 137 L C 2.595 179.430 176.870 -0.060 0.000 1.079 137 L CA 1.796 56.599 54.840 -0.061 0.000 0.752 137 L CB -0.706 41.309 42.059 -0.074 0.000 0.906 137 L HN 0.090 nan 8.230 nan 0.000 0.436 138 S N -0.478 115.202 115.700 -0.034 0.000 2.370 138 S HA -0.152 4.374 4.470 0.094 0.000 0.226 138 S C 2.014 176.593 174.600 -0.034 0.000 1.033 138 S CA 1.371 59.553 58.200 -0.030 0.000 1.011 138 S CB -0.875 62.316 63.200 -0.014 0.000 0.852 138 S HN 0.691 nan 8.310 nan 0.000 0.457 139 G N 0.351 109.133 108.800 -0.030 0.000 2.408 139 G HA2 0.020 4.036 3.960 0.094 0.000 0.217 139 G HA3 0.020 4.036 3.960 0.094 0.000 0.217 139 G C 1.604 176.478 174.900 -0.042 0.000 1.150 139 G CA 0.855 45.936 45.100 -0.032 0.000 0.776 139 G HN 0.659 nan 8.290 nan 0.000 0.542 140 A N 0.555 123.343 122.820 -0.052 0.000 1.969 140 A HA 0.153 4.529 4.320 0.094 0.000 0.218 140 A C 2.343 179.883 177.584 -0.075 0.000 1.169 140 A CA 0.950 52.948 52.037 -0.065 0.000 0.635 140 A CB -0.258 18.694 19.000 -0.080 0.000 0.810 140 A HN 0.371 nan 8.150 nan 0.000 0.445 141 I N -1.132 119.392 120.570 -0.078 0.000 2.315 141 I HA -0.209 4.018 4.170 0.094 0.000 0.248 141 I C 2.742 178.826 176.117 -0.056 0.000 1.117 141 I CA 1.061 62.315 61.300 -0.077 0.000 1.404 141 I CB -0.256 37.698 38.000 -0.076 0.000 1.071 141 I HN 0.257 nan 8.210 nan 0.000 0.419 142 R N 0.439 120.912 120.500 -0.046 0.000 2.092 142 R HA -0.197 4.199 4.340 0.094 0.000 0.231 142 R C 1.870 178.148 176.300 -0.037 0.000 1.119 142 R CA 1.704 57.783 56.100 -0.036 0.000 0.970 142 R CB -0.355 29.927 30.300 -0.030 0.000 0.864 142 R HN 0.249 nan 8.270 nan 0.000 0.440 143 D N 0.408 120.783 120.400 -0.041 0.000 2.265 143 D HA -0.129 4.567 4.640 0.094 0.000 0.208 143 D C 0.870 177.146 176.300 -0.040 0.000 0.977 143 D CA 0.865 54.842 54.000 -0.039 0.000 0.871 143 D CB 0.142 40.917 40.800 -0.042 0.000 0.925 143 D HN 0.156 nan 8.370 nan 0.000 0.485 144 L N -1.115 120.080 121.223 -0.047 0.000 2.791 144 L HA 0.338 4.735 4.340 0.094 0.000 0.239 144 L C 1.293 178.139 176.870 -0.039 0.000 1.203 144 L CA 0.092 54.904 54.840 -0.047 0.000 1.002 144 L CB 0.054 42.076 42.059 -0.061 0.000 1.295 144 L HN 0.146 nan 8.230 nan 0.000 0.504 145 G N 0.526 109.306 108.800 -0.034 0.000 2.176 145 G HA2 -0.291 3.725 3.960 0.094 0.000 0.252 145 G HA3 -0.291 3.725 3.960 0.094 0.000 0.252 145 G C -0.068 174.815 174.900 -0.027 0.000 1.024 145 G CA 0.197 45.280 45.100 -0.028 0.000 0.755 145 G HN 0.421 nan 8.290 nan 0.000 0.507 146 E N -0.073 120.109 120.200 -0.031 0.000 2.227 146 E HA 0.620 5.026 4.350 0.094 0.000 0.268 146 E C 0.209 176.794 176.600 -0.026 0.000 0.907 146 E CA -0.879 55.504 56.400 -0.029 0.000 0.786 146 E CB 0.795 30.474 29.700 -0.035 0.000 1.191 146 E HN 0.234 nan 8.360 nan 0.000 0.411 147 K N 1.535 121.923 120.400 -0.020 0.000 2.322 147 K HA 0.433 4.809 4.320 0.094 0.000 0.283 147 K C -0.710 175.880 176.600 -0.017 0.000 1.042 147 K CA -0.191 56.086 56.287 -0.017 0.000 0.958 147 K CB 1.249 33.742 32.500 -0.013 0.000 0.984 147 K HN 0.282 nan 8.250 nan 0.000 0.473 148 S N 3.094 118.784 115.700 -0.017 0.000 2.543 148 S HA 0.577 5.104 4.470 0.094 0.000 0.271 148 S C -1.203 173.390 174.600 -0.012 0.000 1.148 148 S CA -0.917 57.274 58.200 -0.015 0.000 0.914 148 S CB 0.674 63.861 63.200 -0.023 0.000 1.096 148 S HN 0.585 nan 8.310 nan 0.000 0.471 149 I N 1.332 121.898 120.570 -0.007 0.000 2.785 149 I HA 0.964 5.191 4.170 0.094 0.000 0.302 149 I C -0.245 175.872 176.117 -0.000 0.000 1.069 149 I CA -1.321 59.976 61.300 -0.004 0.000 1.045 149 I CB 1.942 39.941 38.000 -0.003 0.000 1.236 149 I HN 0.649 nan 8.210 nan 0.000 0.429 150 A N 6.203 129.023 122.820 0.001 0.000 2.328 150 A HA 0.786 5.162 4.320 0.094 0.000 0.284 150 A C -0.572 177.014 177.584 0.004 0.000 1.160 150 A CA -0.439 51.601 52.037 0.005 0.000 0.818 150 A CB 0.473 19.477 19.000 0.007 0.000 1.087 150 A HN 0.737 nan 8.150 nan 0.000 0.504 151 L N 1.756 122.982 121.223 0.006 0.000 2.323 151 L HA 0.480 4.876 4.340 0.094 0.000 0.265 151 L C 0.052 176.921 176.870 -0.002 0.000 1.012 151 L CA -0.643 54.197 54.840 0.001 0.000 0.820 151 L CB 2.210 44.270 42.059 0.001 0.000 1.334 151 L HN 0.791 nan 8.230 nan 0.000 0.427 152 E N 0.082 120.275 120.200 -0.011 0.000 2.248 152 E HA 0.227 4.633 4.350 0.094 0.000 0.272 152 E C 0.673 177.260 176.600 -0.022 0.000 1.008 152 E CA -0.176 56.212 56.400 -0.020 0.000 0.856 152 E CB 1.629 31.309 29.700 -0.034 0.000 1.120 152 E HN 0.790 nan 8.360 nan 0.000 0.397 153 G N 1.916 110.698 108.800 -0.029 0.000 2.513 153 G HA2 -0.328 3.688 3.960 0.094 0.000 0.219 153 G HA3 -0.328 3.688 3.960 0.094 0.000 0.219 153 G C 1.286 176.160 174.900 -0.043 0.000 1.160 153 G CA 1.041 46.118 45.100 -0.039 0.000 0.767 153 G HN 0.650 nan 8.290 nan 0.000 0.571 154 G N 1.430 110.206 108.800 -0.040 0.000 2.480 154 G HA2 -0.211 3.805 3.960 0.094 0.000 0.216 154 G HA3 -0.211 3.805 3.960 0.094 0.000 0.216 154 G C 1.615 176.498 174.900 -0.029 0.000 1.200 154 G CA 1.305 46.384 45.100 -0.035 0.000 0.782 154 G HN 0.664 nan 8.290 nan 0.000 0.554 155 E N 0.578 120.765 120.200 -0.022 0.000 2.338 155 E HA 0.181 4.588 4.350 0.094 0.000 0.197 155 E C 2.232 178.822 176.600 -0.016 0.000 1.007 155 E CA 0.737 57.127 56.400 -0.018 0.000 0.849 155 E CB -0.188 29.505 29.700 -0.013 0.000 0.774 155 E HN 0.387 nan 8.360 nan 0.000 0.506 156 A N 1.064 123.873 122.820 -0.018 0.000 2.238 156 A HA 0.359 4.735 4.320 0.094 0.000 0.208 156 A C 1.812 179.385 177.584 -0.018 0.000 1.177 156 A CA 0.567 52.596 52.037 -0.014 0.000 0.804 156 A CB -0.269 18.724 19.000 -0.012 0.000 0.823 156 A HN 0.494 nan 8.150 nan 0.000 0.482 157 G N -1.115 107.670 108.800 -0.025 0.000 2.154 157 G HA2 -0.155 3.861 3.960 0.094 0.000 0.186 157 G HA3 -0.155 3.861 3.960 0.094 0.000 0.186 157 G C -0.012 174.864 174.900 -0.040 0.000 1.000 157 G CA -0.056 45.029 45.100 -0.026 0.000 0.664 157 G HN 0.407 nan 8.290 nan 0.000 0.513 158 I N 1.605 122.142 120.570 -0.055 0.000 2.287 158 I HA 0.435 4.661 4.170 0.094 0.000 0.290 158 I C 0.024 176.097 176.117 -0.074 0.000 1.069 158 I CA -0.662 60.589 61.300 -0.081 0.000 1.237 158 I CB 0.671 38.603 38.000 -0.113 0.000 1.418 158 I HN -0.036 nan 8.210 nan 0.000 0.481 159 I N 6.077 126.607 120.570 -0.068 0.000 2.336 159 I HA 0.308 4.535 4.170 0.094 0.000 0.292 159 I C 0.749 176.825 176.117 -0.068 0.000 0.991 159 I CA 0.045 61.308 61.300 -0.061 0.000 1.227 159 I CB 1.685 39.655 38.000 -0.051 0.000 1.366 159 I HN 0.552 nan 8.210 nan 0.000 0.466 160 T N 0.725 115.235 114.554 -0.073 0.000 2.927 160 T HA 0.634 5.041 4.350 0.094 0.000 0.286 160 T C -0.239 174.406 174.700 -0.093 0.000 1.040 160 T CA -0.924 61.127 62.100 -0.081 0.000 1.010 160 T CB 1.502 70.315 68.868 -0.093 0.000 1.177 160 T HN 0.503 nan 8.240 nan 0.000 0.546 161 D N 0.134 120.472 120.400 -0.103 0.000 2.376 161 D HA 0.162 4.859 4.640 0.094 0.000 0.268 161 D C 0.122 176.283 176.300 -0.231 0.000 1.252 161 D CA -0.633 53.292 54.000 -0.125 0.000 1.041 161 D CB -0.169 40.573 40.800 -0.097 0.000 1.109 161 D HN 0.727 nan 8.370 nan 0.000 0.552 162 N N -2.222 116.303 118.700 -0.292 0.000 2.538 162 N HA 0.090 4.886 4.740 0.094 0.000 0.291 162 N C -0.871 174.229 175.510 -0.683 0.000 1.323 162 N CA -0.711 51.945 53.050 -0.657 0.000 0.934 162 N CB -0.269 37.942 38.487 -0.460 0.000 1.255 162 N HN 0.273 nan 8.380 nan 0.000 0.509 163 N N 1.070 119.538 118.700 -0.387 0.000 2.807 163 N HA 0.118 4.914 4.740 0.094 0.000 0.259 163 N C -1.123 174.289 175.510 -0.164 0.000 1.149 163 N CA -0.564 52.370 53.050 -0.194 0.000 1.042 163 N CB -0.241 38.196 38.487 -0.083 0.000 1.367 163 N HN 0.138 nan 8.380 nan 0.000 0.516 164 F N 1.419 121.379 119.950 0.015 0.000 2.563 164 F HA 0.283 4.866 4.527 0.093 0.000 0.363 164 F C 2.016 177.827 175.800 0.017 0.000 1.123 164 F CA 1.250 59.256 58.000 0.010 0.000 1.307 164 F CB 0.609 39.611 39.000 0.003 0.000 1.115 164 F HN 0.560 nan 8.300 nan 0.000 0.592 165 G N 1.138 110.057 108.800 0.198 0.000 2.397 165 G HA2 -0.227 3.789 3.960 0.094 0.000 0.211 165 G HA3 -0.227 3.789 3.960 0.094 0.000 0.211 165 G C 0.185 175.150 174.900 0.109 0.000 1.077 165 G CA 0.035 45.218 45.100 0.139 0.000 0.649 165 G HN 1.359 nan 8.290 nan 0.000 0.511 166 S N -0.362 115.385 115.700 0.078 0.000 2.708 166 S HA 0.747 5.274 4.470 0.094 0.000 0.141 166 S C 0.004 174.620 174.600 0.027 0.000 1.349 166 S CA 0.874 59.115 58.200 0.068 0.000 1.206 166 S CB 0.629 63.877 63.200 0.080 0.000 1.603 166 S HN 2.037 nan 8.310 nan 0.000 0.415 167 A N 2.754 125.568 122.820 -0.010 0.000 2.477 167 A HA 0.567 4.944 4.320 0.094 0.000 0.246 167 A C 0.755 178.337 177.584 -0.005 0.000 1.078 167 A CA -0.496 51.506 52.037 -0.058 0.000 0.770 167 A CB 0.149 19.078 19.000 -0.119 0.000 1.011 167 A HN 0.936 nan 8.150 nan 0.000 0.494 168 R N 1.628 122.120 120.500 -0.012 0.000 2.428 168 R HA 0.571 4.967 4.340 0.094 0.000 0.294 168 R C -1.125 175.176 176.300 0.002 0.000 1.000 168 R CA -0.756 55.359 56.100 0.026 0.000 0.960 168 R CB 0.816 31.126 30.300 0.017 0.000 1.076 168 R HN 0.276 nan 8.270 nan 0.000 0.475 169 V N 3.693 123.625 119.914 0.030 0.000 2.529 169 V HA -0.003 4.173 4.120 0.094 0.000 0.292 169 V C 1.176 177.249 176.094 -0.036 0.000 1.028 169 V CA 0.208 62.492 62.300 -0.026 0.000 1.074 169 V CB 0.925 32.715 31.823 -0.056 0.000 0.958 169 V HN 0.891 nan 8.190 nan 0.000 0.481 170 K N 3.148 123.519 120.400 -0.048 0.000 2.168 170 K HA 0.263 4.639 4.320 0.094 0.000 0.201 170 K C 0.859 177.435 176.600 -0.041 0.000 1.049 170 K CA 0.402 56.664 56.287 -0.042 0.000 0.974 170 K CB 0.428 32.902 32.500 -0.043 0.000 0.792 170 K HN 0.571 nan 8.250 nan 0.000 0.463 171 R N 0.015 120.487 120.500 -0.047 0.000 2.629 171 R HA 0.380 4.776 4.340 0.094 0.000 0.266 171 R C -1.903 174.374 176.300 -0.037 0.000 1.051 171 R CA -0.463 55.617 56.100 -0.034 0.000 0.895 171 R CB 1.289 31.572 30.300 -0.029 0.000 1.246 171 R HN -0.071 nan 8.270 nan 0.000 0.459 172 L N 2.405 123.619 121.223 -0.014 0.000 2.365 172 L HA 0.511 4.908 4.340 0.094 0.000 0.273 172 L C -0.284 176.590 176.870 0.007 0.000 1.000 172 L CA -0.419 54.419 54.840 -0.005 0.000 0.819 172 L CB 2.258 44.334 42.059 0.029 0.000 1.284 172 L HN 0.729 nan 8.230 nan 0.000 0.418 173 E N 1.705 121.904 120.200 -0.002 0.000 3.575 173 E HA 0.105 4.511 4.350 0.094 0.000 0.201 173 E C 0.614 177.214 176.600 -0.000 0.000 0.999 173 E CA -0.090 56.309 56.400 -0.001 0.000 1.315 173 E CB 1.106 30.800 29.700 -0.010 0.000 1.146 173 E HN 0.431 nan 8.360 nan 0.000 0.453 174 V N 0.564 120.483 119.914 0.008 0.000 2.379 174 V HA -0.220 3.956 4.120 0.094 0.000 0.245 174 V C 2.186 178.284 176.094 0.006 0.000 1.044 174 V CA 1.529 63.834 62.300 0.007 0.000 1.036 174 V CB -0.196 31.637 31.823 0.018 0.000 0.664 174 V HN 0.273 nan 8.190 nan 0.000 0.453 175 K N 0.239 120.643 120.400 0.007 0.000 2.020 175 K HA -0.259 4.117 4.320 0.094 0.000 0.212 175 K C 2.203 178.803 176.600 -0.001 0.000 1.050 175 K CA 2.208 58.496 56.287 0.001 0.000 0.929 175 K CB -0.226 32.273 32.500 -0.002 0.000 0.714 175 K HN 0.526 nan 8.250 nan 0.000 0.443 176 E N -0.089 120.110 120.200 -0.001 0.000 2.118 176 E HA -0.166 4.240 4.350 0.094 0.000 0.195 176 E C 2.045 178.642 176.600 -0.004 0.000 0.992 176 E CA 1.112 57.509 56.400 -0.004 0.000 0.804 176 E CB 0.122 29.819 29.700 -0.005 0.000 0.741 176 E HN 0.163 nan 8.360 nan 0.000 0.458 177 R N -0.211 120.286 120.500 -0.004 0.000 2.112 177 R HA 0.112 4.508 4.340 0.094 0.000 0.216 177 R C 2.239 178.538 176.300 -0.003 0.000 1.080 177 R CA 0.683 56.780 56.100 -0.005 0.000 0.996 177 R CB -0.055 30.241 30.300 -0.007 0.000 0.902 177 R HN 0.254 nan 8.270 nan 0.000 0.449 178 L N -0.050 121.172 121.223 -0.001 0.000 2.357 178 L HA 0.025 4.421 4.340 0.094 0.000 0.211 178 L C 2.030 178.901 176.870 0.001 0.000 1.075 178 L CA 0.040 54.882 54.840 0.002 0.000 0.830 178 L CB -0.283 41.779 42.059 0.005 0.000 0.996 178 L HN 0.009 nan 8.230 nan 0.000 0.467 179 L N 0.961 122.184 121.223 0.000 0.000 2.013 179 L HA -0.145 4.251 4.340 0.094 0.000 0.212 179 L C -0.208 176.662 176.870 -0.001 0.000 1.073 179 L CA 2.401 57.241 54.840 -0.001 0.000 0.753 179 L CB -1.899 40.159 42.059 -0.003 0.000 0.890 179 L HN 0.103 nan 8.230 nan 0.000 0.432 180 P HA -0.170 nan 4.420 nan 0.000 0.216 180 P C 1.923 179.222 177.300 -0.002 0.000 1.150 180 P CA 1.156 64.254 63.100 -0.002 0.000 0.843 180 P CB 0.052 31.750 31.700 -0.003 0.000 0.787 181 L N -1.846 119.377 121.223 -0.001 0.000 2.109 181 L HA -0.089 4.308 4.340 0.094 0.000 0.207 181 L C 2.406 179.276 176.870 -0.000 0.000 1.086 181 L CA 1.550 56.389 54.840 -0.001 0.000 0.760 181 L CB -1.329 40.730 42.059 0.000 0.000 0.910 181 L HN -0.065 nan 8.230 nan 0.000 0.437 182 L N -1.099 120.124 121.223 0.001 0.000 2.072 182 L HA -0.186 4.210 4.340 0.094 0.000 0.205 182 L C 2.552 179.422 176.870 0.000 0.000 1.079 182 L CA 1.002 55.844 54.840 0.002 0.000 0.752 182 L CB -0.437 41.625 42.059 0.004 0.000 0.906 182 L HN 0.214 nan 8.230 nan 0.000 0.436 183 K N 0.047 120.447 120.400 -0.001 0.000 2.103 183 K HA -0.185 4.192 4.320 0.094 0.000 0.207 183 K C 1.668 178.267 176.600 -0.002 0.000 1.048 183 K CA 1.163 57.449 56.287 -0.002 0.000 0.930 183 K CB 0.141 32.640 32.500 -0.002 0.000 0.716 183 K HN 0.187 nan 8.250 nan 0.000 0.444 184 E N -0.688 119.510 120.200 -0.002 0.000 2.511 184 E HA -0.021 4.386 4.350 0.094 0.000 0.196 184 E C 0.886 177.484 176.600 -0.004 0.000 1.066 184 E CA 0.753 57.151 56.400 -0.003 0.000 0.871 184 E CB 0.394 30.092 29.700 -0.004 0.000 0.863 184 E HN 0.565 nan 8.360 nan 0.000 0.520 185 G N 1.610 110.408 108.800 -0.003 0.000 2.143 185 G HA2 -0.297 3.720 3.960 0.094 0.000 0.248 185 G HA3 -0.297 3.720 3.960 0.094 0.000 0.248 185 G C 0.348 175.245 174.900 -0.004 0.000 0.991 185 G CA 0.210 45.308 45.100 -0.003 0.000 0.689 185 G HN 0.283 nan 8.290 nan 0.000 0.522 186 I N 0.898 121.466 120.570 -0.003 0.000 2.474 186 I HA 0.332 4.558 4.170 0.094 0.000 0.287 186 I C 0.965 177.081 176.117 -0.001 0.000 1.048 186 I CA -0.602 60.696 61.300 -0.004 0.000 1.383 186 I CB 1.052 39.049 38.000 -0.004 0.000 1.412 186 I HN -0.022 nan 8.210 nan 0.000 0.531 187 I N 8.314 128.882 120.570 -0.004 0.000 2.281 187 I HA 0.221 4.447 4.170 0.094 0.000 0.293 187 I C -2.221 173.898 176.117 0.003 0.000 1.085 187 I CA -1.793 59.508 61.300 0.000 0.000 1.257 187 I CB 0.343 38.339 38.000 -0.007 0.000 1.430 187 I HN 0.222 nan 8.210 nan 0.000 0.489 188 P HA 0.119 nan 4.420 nan 0.000 0.281 188 P C -0.495 176.817 177.300 0.021 0.000 1.252 188 P CA -0.216 62.891 63.100 0.012 0.000 0.778 188 P CB 1.046 32.754 31.700 0.013 0.000 0.895 189 V N 5.046 124.971 119.914 0.018 0.000 2.277 189 V HA 0.128 4.304 4.120 0.094 0.000 0.269 189 V C 0.293 176.407 176.094 0.033 0.000 1.036 189 V CA -0.582 61.736 62.300 0.030 0.000 0.821 189 V CB 1.060 32.893 31.823 0.017 0.000 1.052 189 V HN 0.264 nan 8.190 nan 0.000 0.462 190 V N 4.436 124.375 119.914 0.042 0.000 2.498 190 V HA 0.257 4.434 4.120 0.094 0.000 0.279 190 V C 1.008 177.131 176.094 0.050 0.000 1.048 190 V CA -0.441 61.880 62.300 0.035 0.000 0.967 190 V CB 1.642 33.481 31.823 0.028 0.000 0.988 190 V HN 0.964 nan 8.190 nan 0.000 0.473 191 T N 2.709 117.288 114.554 0.041 0.000 2.946 191 T HA 0.239 4.645 4.350 0.094 0.000 0.311 191 T C 1.332 176.080 174.700 0.080 0.000 1.063 191 T CA 0.069 62.205 62.100 0.061 0.000 1.139 191 T CB 1.118 70.008 68.868 0.038 0.000 0.994 191 T HN 0.838 nan 8.240 nan 0.000 0.547 192 G N 2.165 111.045 108.800 0.132 0.000 2.798 192 G HA2 -0.030 3.986 3.960 0.094 0.000 0.202 192 G HA3 -0.030 3.986 3.960 0.094 0.000 0.202 192 G C 0.601 175.623 174.900 0.204 0.000 1.432 192 G CA 0.537 45.736 45.100 0.165 0.000 0.861 192 G HN 0.980 nan 8.290 nan 0.000 0.598 193 F N 2.157 122.117 119.950 0.016 0.000 2.696 193 F HA 0.515 5.103 4.527 0.101 0.000 0.296 193 F C 0.224 176.026 175.800 0.004 0.000 1.181 193 F CA -2.240 55.765 58.000 0.008 0.000 1.411 193 F CB -0.839 38.177 39.000 0.028 0.000 1.014 193 F HN 0.200 nan 8.300 nan 0.000 0.512 194 I N -1.660 118.822 120.570 -0.147 0.000 2.740 194 I HA 1.028 5.255 4.170 0.094 0.000 0.303 194 I C 0.012 176.049 176.117 -0.133 0.000 1.044 194 I CA -1.062 60.094 61.300 -0.241 0.000 1.064 194 I CB 1.897 39.765 38.000 -0.221 0.000 1.249 194 I HN 0.076 nan 8.210 nan 0.000 0.433 195 G N 1.878 110.605 108.800 -0.121 0.000 3.135 195 G HA2 0.659 4.676 3.960 0.094 0.000 0.278 195 G HA3 0.659 4.676 3.960 0.094 0.000 0.278 195 G C -1.479 173.393 174.900 -0.048 0.000 1.302 195 G CA -0.593 44.457 45.100 -0.085 0.000 0.880 195 G HN 0.692 nan 8.290 nan 0.000 0.574 196 T N -0.571 113.959 114.554 -0.040 0.000 2.909 196 T HA 0.613 5.019 4.350 0.094 0.000 0.299 196 T C -0.076 174.610 174.700 -0.025 0.000 1.073 196 T CA -0.254 61.841 62.100 -0.009 0.000 0.999 196 T CB 1.459 70.320 68.868 -0.012 0.000 1.098 196 T HN 0.510 nan 8.240 nan 0.000 0.477 197 T N 2.501 117.058 114.554 0.004 0.000 2.813 197 T HA 0.127 4.534 4.350 0.094 0.000 0.297 197 T C 1.357 176.014 174.700 -0.073 0.000 1.036 197 T CA -0.304 61.778 62.100 -0.030 0.000 1.044 197 T CB 0.715 69.616 68.868 0.055 0.000 0.993 197 T HN 0.727 nan 8.240 nan 0.000 0.535 198 E N 1.063 121.216 120.200 -0.078 0.000 2.171 198 E HA -0.168 4.238 4.350 0.094 0.000 0.197 198 E C 1.721 178.243 176.600 -0.130 0.000 0.997 198 E CA 1.275 57.624 56.400 -0.085 0.000 0.810 198 E CB 0.100 29.759 29.700 -0.067 0.000 0.738 198 E HN 0.695 nan 8.360 nan 0.000 0.467 199 E N -1.555 118.514 120.200 -0.218 0.000 2.451 199 E HA 0.140 4.546 4.350 0.094 0.000 0.194 199 E C 0.877 177.211 176.600 -0.442 0.000 1.027 199 E CA 0.512 56.702 56.400 -0.350 0.000 0.914 199 E CB 0.435 29.852 29.700 -0.472 0.000 1.054 199 E HN 0.248 nan 8.360 nan 0.000 0.461 200 G N 1.217 109.864 108.800 -0.255 0.000 2.159 200 G HA2 -0.297 3.719 3.960 0.094 0.000 0.256 200 G HA3 -0.297 3.719 3.960 0.094 0.000 0.256 200 G C -0.299 174.585 174.900 -0.025 0.000 0.977 200 G CA 0.084 45.102 45.100 -0.137 0.000 0.652 200 G HN 0.272 nan 8.290 nan 0.000 0.531 201 Y N 0.575 120.916 120.300 0.069 0.000 2.544 201 Y HA 0.460 5.066 4.550 0.094 0.000 0.330 201 Y C 1.642 177.636 175.900 0.156 0.000 1.136 201 Y CA -1.351 56.828 58.100 0.131 0.000 1.417 201 Y CB 0.174 38.785 38.460 0.251 0.000 1.229 201 Y HN 0.210 nan 8.280 nan 0.000 0.532 202 I N 2.759 123.520 120.570 0.318 0.000 2.752 202 I HA 0.013 4.239 4.170 0.094 0.000 0.287 202 I C 0.612 176.882 176.117 0.255 0.000 1.188 202 I CA 0.913 62.339 61.300 0.209 0.000 1.427 202 I CB 0.519 38.625 38.000 0.176 0.000 1.365 202 I HN 0.595 nan 8.210 nan 0.000 0.585 203 T N 3.838 118.458 114.554 0.110 0.000 2.956 203 T HA 0.427 4.833 4.350 0.094 0.000 0.312 203 T C -0.536 174.103 174.700 -0.102 0.000 1.151 203 T CA -0.583 61.571 62.100 0.091 0.000 1.024 203 T CB 1.353 70.226 68.868 0.008 0.000 1.140 203 T HN 0.750 nan 8.240 nan 0.000 0.473 204 T N 1.461 115.931 114.554 -0.141 0.000 2.918 204 T HA 0.609 5.015 4.350 0.094 0.000 0.286 204 T C 0.841 175.430 174.700 -0.184 0.000 1.026 204 T CA -0.903 60.954 62.100 -0.406 0.000 1.031 204 T CB 0.944 69.427 68.868 -0.642 0.000 1.046 204 T HN 0.440 nan 8.240 nan 0.000 0.479 205 L N 1.379 122.512 121.223 -0.149 0.000 2.653 205 L HA 0.472 4.868 4.340 0.094 0.000 0.231 205 L C 1.287 178.248 176.870 0.152 0.000 1.153 205 L CA -0.102 54.772 54.840 0.057 0.000 0.933 205 L CB -0.796 41.328 42.059 0.110 0.000 1.175 205 L HN 1.233 nan 8.230 nan 0.000 0.473 206 G N 0.451 109.386 108.800 0.226 0.000 2.675 206 G HA2 -0.142 3.875 3.960 0.094 0.000 0.686 206 G HA3 -0.142 3.875 3.960 0.094 0.000 0.686 206 G C -0.654 174.484 174.900 0.397 0.000 1.215 206 G CA -1.138 44.137 45.100 0.291 0.000 0.777 206 G HN 0.031 nan 8.290 nan 0.000 0.638 207 R N 0.525 121.209 120.500 0.306 0.000 2.585 207 R HA 0.425 4.821 4.340 0.094 0.000 0.275 207 R C 1.704 178.134 176.300 0.217 0.000 1.018 207 R CA 1.003 57.209 56.100 0.177 0.000 1.072 207 R CB 0.041 30.403 30.300 0.104 0.000 0.953 207 R HN 2.482 nan 8.270 nan 0.000 0.419 208 G N 1.496 110.343 108.800 0.078 0.000 2.148 208 G HA2 -0.290 3.727 3.960 0.094 0.000 0.254 208 G HA3 -0.290 3.727 3.960 0.094 0.000 0.254 208 G C 0.994 175.984 174.900 0.151 0.000 0.981 208 G CA 0.539 45.730 45.100 0.152 0.000 0.670 208 G HN 0.760 nan 8.290 nan 0.000 0.528 209 G N 0.142 108.995 108.800 0.087 0.000 2.559 209 G HA2 0.118 4.134 3.960 0.094 0.000 0.216 209 G HA3 0.118 4.134 3.960 0.094 0.000 0.216 209 G C 1.743 176.719 174.900 0.128 0.000 1.126 209 G CA 1.779 46.884 45.100 0.009 0.000 0.778 209 G HN 0.694 nan 8.290 nan 0.000 0.543 210 S N 0.734 116.523 115.700 0.149 0.000 2.402 210 S HA -0.126 4.401 4.470 0.094 0.000 0.233 210 S C 2.014 176.683 174.600 0.114 0.000 1.030 210 S CA 1.373 59.656 58.200 0.138 0.000 1.003 210 S CB -0.178 63.090 63.200 0.113 0.000 0.813 210 S HN 0.405 nan 8.310 nan 0.000 0.477 211 D N 0.007 120.482 120.400 0.125 0.000 2.097 211 D HA -0.098 4.598 4.640 0.094 0.000 0.195 211 D C 1.617 178.019 176.300 0.171 0.000 0.989 211 D CA 0.951 55.035 54.000 0.140 0.000 0.827 211 D CB -0.428 40.475 40.800 0.172 0.000 0.966 211 D HN 0.422 nan 8.370 nan 0.000 0.456 212 Y N 2.008 122.300 120.300 -0.015 0.000 2.224 212 Y HA -0.182 4.424 4.550 0.092 0.000 0.289 212 Y C 2.333 178.223 175.900 -0.017 0.000 1.146 212 Y CA 0.887 58.963 58.100 -0.040 0.000 1.182 212 Y CB -0.471 37.888 38.460 -0.169 0.000 0.983 212 Y HN -0.149 nan 8.280 nan 0.000 0.524 213 S N 0.399 116.066 115.700 -0.056 0.000 2.359 213 S HA -0.230 4.296 4.470 0.094 0.000 0.224 213 S C 2.366 176.933 174.600 -0.054 0.000 1.035 213 S CA 1.316 59.444 58.200 -0.120 0.000 1.018 213 S CB -0.932 62.254 63.200 -0.023 0.000 0.876 213 S HN 0.620 nan 8.310 nan 0.000 0.448 214 A N 1.585 124.418 122.820 0.021 0.000 1.908 214 A HA -0.001 4.375 4.320 0.094 0.000 0.218 214 A C 2.353 179.966 177.584 0.049 0.000 1.181 214 A CA 1.916 53.979 52.037 0.043 0.000 0.627 214 A CB -1.111 17.925 19.000 0.061 0.000 0.818 214 A HN 0.538 nan 8.150 nan 0.000 0.445 215 A N -0.422 122.439 122.820 0.069 0.000 1.898 215 A HA 0.028 4.404 4.320 0.094 0.000 0.216 215 A C 2.175 179.801 177.584 0.069 0.000 1.181 215 A CA 1.381 53.478 52.037 0.099 0.000 0.620 215 A CB -0.594 18.507 19.000 0.168 0.000 0.819 215 A HN 0.464 nan 8.150 nan 0.000 0.442 216 L N -0.543 120.651 121.223 -0.049 0.000 2.012 216 L HA -0.214 4.182 4.340 0.094 0.000 0.210 216 L C 2.522 179.399 176.870 0.010 0.000 1.073 216 L CA 1.538 56.316 54.840 -0.103 0.000 0.748 216 L CB -0.550 41.320 42.059 -0.315 0.000 0.891 216 L HN 0.370 nan 8.230 nan 0.000 0.431 217 I N -0.390 120.178 120.570 -0.004 0.000 2.226 217 I HA -0.216 4.010 4.170 0.094 0.000 0.245 217 I C 2.643 178.793 176.117 0.056 0.000 1.100 217 I CA 1.369 62.683 61.300 0.024 0.000 1.374 217 I CB -0.879 37.129 38.000 0.014 0.000 1.057 217 I HN 0.300 nan 8.210 nan 0.000 0.413 218 G N 0.153 108.994 108.800 0.068 0.000 2.514 218 G HA2 -0.368 3.648 3.960 0.094 0.000 0.217 218 G HA3 -0.368 3.648 3.960 0.094 0.000 0.217 218 G C 1.645 176.600 174.900 0.091 0.000 1.198 218 G CA 1.144 46.288 45.100 0.074 0.000 0.780 218 G HN 0.405 nan 8.290 nan 0.000 0.565 219 Y N 1.782 122.079 120.300 -0.006 0.000 2.114 219 Y HA -0.144 4.463 4.550 0.094 0.000 0.282 219 Y C 2.858 178.750 175.900 -0.015 0.000 1.165 219 Y CA 2.082 60.174 58.100 -0.012 0.000 1.148 219 Y CB -0.495 37.956 38.460 -0.015 0.000 0.972 219 Y HN 0.150 nan 8.280 nan 0.000 0.504 220 G N -0.086 108.850 108.800 0.226 0.000 2.422 220 G HA2 -0.208 3.808 3.960 0.094 0.000 0.218 220 G HA3 -0.208 3.808 3.960 0.094 0.000 0.218 220 G C 1.397 176.306 174.900 0.016 0.000 1.146 220 G CA 1.097 46.275 45.100 0.130 0.000 0.769 220 G HN 0.451 nan 8.290 nan 0.000 0.547 221 L N 0.271 121.500 121.223 0.009 0.000 2.592 221 L HA 0.160 4.557 4.340 0.094 0.000 0.227 221 L C 0.270 177.120 176.870 -0.034 0.000 1.127 221 L CA -0.073 54.761 54.840 -0.009 0.000 0.884 221 L CB -0.089 41.975 42.059 0.007 0.000 1.065 221 L HN 0.118 nan 8.230 nan 0.000 0.457 222 D N 1.005 121.361 120.400 -0.075 0.000 2.701 222 D HA -0.177 4.519 4.640 0.094 0.000 0.235 222 D C 0.665 176.941 176.300 -0.040 0.000 1.155 222 D CA 0.811 54.758 54.000 -0.089 0.000 0.649 222 D CB -0.511 40.235 40.800 -0.090 0.000 1.050 222 D HN 0.387 nan 8.370 nan 0.000 0.425 223 A N 0.275 123.086 122.820 -0.015 0.000 2.466 223 A HA 0.033 4.409 4.320 0.094 0.000 0.238 223 A C 1.353 178.944 177.584 0.013 0.000 1.074 223 A CA 0.212 52.254 52.037 0.008 0.000 0.774 223 A CB 0.510 19.526 19.000 0.027 0.000 1.015 223 A HN 0.127 nan 8.150 nan 0.000 0.498 224 D N -0.373 120.038 120.400 0.019 0.000 2.249 224 D HA 0.119 4.815 4.640 0.094 0.000 0.205 224 D C 0.187 176.507 176.300 0.034 0.000 0.962 224 D CA 1.374 55.388 54.000 0.022 0.000 0.860 224 D CB 0.256 41.068 40.800 0.020 0.000 0.955 224 D HN 0.487 nan 8.370 nan 0.000 0.505 225 I N 0.205 120.799 120.570 0.041 0.000 2.787 225 I HA 0.216 4.442 4.170 0.094 0.000 0.294 225 I C -1.748 174.402 176.117 0.055 0.000 1.365 225 I CA -0.633 60.696 61.300 0.048 0.000 1.029 225 I CB 2.421 40.446 38.000 0.041 0.000 1.313 225 I HN -0.333 nan 8.210 nan 0.000 0.431 226 I N 6.232 126.838 120.570 0.059 0.000 2.330 226 I HA 0.355 4.581 4.170 0.094 0.000 0.289 226 I C -0.524 175.614 176.117 0.035 0.000 1.001 226 I CA -0.298 61.038 61.300 0.059 0.000 1.193 226 I CB 1.458 39.502 38.000 0.074 0.000 1.345 226 I HN 0.432 nan 8.210 nan 0.000 0.461 227 E N 6.638 126.862 120.200 0.039 0.000 2.133 227 E HA 0.438 4.844 4.350 0.094 0.000 0.274 227 E C -0.867 175.705 176.600 -0.046 0.000 0.930 227 E CA -0.712 55.681 56.400 -0.012 0.000 0.770 227 E CB 2.003 31.780 29.700 0.128 0.000 1.104 227 E HN 0.352 nan 8.360 nan 0.000 0.403 228 I N 3.537 124.011 120.570 -0.159 0.000 2.330 228 I HA 0.202 4.428 4.170 0.094 0.000 0.286 228 I C -0.734 175.242 176.117 -0.236 0.000 1.025 228 I CA -0.564 60.665 61.300 -0.118 0.000 1.197 228 I CB -0.034 37.939 38.000 -0.046 0.000 1.358 228 I HN 0.482 nan 8.210 nan 0.000 0.467 229 W N 5.797 126.943 121.300 -0.257 0.000 2.349 229 W HA 0.525 5.239 4.660 0.090 0.000 0.309 229 W C 0.849 177.350 176.519 -0.029 0.000 1.083 229 W CA -0.070 57.151 57.345 -0.208 0.000 1.224 229 W CB 1.603 30.740 29.460 -0.539 0.000 1.256 229 W HN 0.445 nan 8.180 nan 0.000 0.461 230 T N 0.697 115.388 114.554 0.228 0.000 2.591 230 T HA 0.203 4.609 4.350 0.094 0.000 0.274 230 T C -0.320 174.569 174.700 0.314 0.000 0.945 230 T CA -0.461 61.776 62.100 0.229 0.000 1.087 230 T CB 0.887 69.839 68.868 0.140 0.000 1.416 230 T HN 0.362 nan 8.240 nan 0.000 0.514 231 D N 0.686 121.259 120.400 0.288 0.000 2.463 231 D HA 0.342 5.038 4.640 0.094 0.000 0.224 231 D C 0.272 176.691 176.300 0.198 0.000 1.174 231 D CA -0.241 53.968 54.000 0.348 0.000 0.829 231 D CB -0.194 40.758 40.800 0.253 0.000 0.993 231 D HN 0.483 nan 8.370 nan 0.000 0.497 232 V N -4.259 115.763 119.914 0.181 0.000 3.114 232 V HA 0.600 4.777 4.120 0.094 0.000 0.308 232 V C -0.171 176.075 176.094 0.254 0.000 1.168 232 V CA -1.071 61.330 62.300 0.168 0.000 1.015 232 V CB 1.845 33.699 31.823 0.053 0.000 1.050 232 V HN -0.111 nan 8.190 nan 0.000 0.433 233 S N 2.404 118.332 115.700 0.379 0.000 4.120 233 S HA 0.656 5.183 4.470 0.094 0.000 0.196 233 S C 0.715 175.365 174.600 0.083 0.000 1.447 233 S CA 0.486 58.806 58.200 0.201 0.000 0.939 233 S CB -0.761 62.536 63.200 0.162 0.000 1.496 233 S HN 2.052 nan 8.310 nan 0.000 0.460 234 G N 0.711 109.557 108.800 0.077 0.000 2.587 234 G HA2 -0.180 3.836 3.960 0.094 0.000 0.212 234 G HA3 -0.180 3.836 3.960 0.094 0.000 0.212 234 G C -0.703 174.252 174.900 0.091 0.000 1.327 234 G CA -0.756 44.337 45.100 -0.012 0.000 0.898 234 G HN 0.544 nan 8.290 nan 0.000 0.551 235 V N 1.085 121.007 119.914 0.013 0.000 2.461 235 V HA 0.548 4.724 4.120 0.094 0.000 0.275 235 V C 0.155 176.272 176.094 0.038 0.000 1.047 235 V CA -0.197 62.155 62.300 0.086 0.000 0.955 235 V CB 0.599 32.447 31.823 0.042 0.000 0.988 235 V HN 0.589 nan 8.190 nan 0.000 0.471 236 Y N 1.853 122.168 120.300 0.025 0.000 2.432 236 Y HA 0.240 4.848 4.550 0.097 0.000 0.322 236 Y C 2.076 178.015 175.900 0.064 0.000 1.246 236 Y CA -0.140 57.986 58.100 0.043 0.000 1.268 236 Y CB 1.475 39.960 38.460 0.041 0.000 1.276 236 Y HN 0.775 nan 8.280 nan 0.000 0.499 237 T N -3.030 111.679 114.554 0.257 0.000 2.822 237 T HA -0.111 4.295 4.350 0.094 0.000 0.270 237 T C 0.649 175.503 174.700 0.257 0.000 1.064 237 T CA 1.777 64.015 62.100 0.230 0.000 1.131 237 T CB -0.222 68.814 68.868 0.279 0.000 0.858 237 T HN 0.650 nan 8.240 nan 0.000 0.483 238 T N -0.381 114.317 114.554 0.241 0.000 2.648 238 T HA 0.308 4.715 4.350 0.094 0.000 0.304 238 T C -2.143 172.597 174.700 0.067 0.000 1.312 238 T CA -0.709 61.470 62.100 0.133 0.000 1.023 238 T CB 1.438 70.371 68.868 0.108 0.000 1.612 238 T HN 0.073 nan 8.240 nan 0.000 0.487 239 D N 2.065 122.469 120.400 0.007 0.000 2.349 239 D HA 0.220 4.916 4.640 0.094 0.000 0.266 239 D C -1.268 174.967 176.300 -0.108 0.000 1.293 239 D CA -1.835 52.140 54.000 -0.041 0.000 0.926 239 D CB 1.444 42.224 40.800 -0.033 0.000 1.090 239 D HN 0.182 nan 8.370 nan 0.000 0.502 240 P HA -0.093 nan 4.420 nan 0.000 0.228 240 P C 0.798 177.989 177.300 -0.181 0.000 1.151 240 P CA 0.633 63.578 63.100 -0.259 0.000 0.770 240 P CB 0.304 31.675 31.700 -0.549 0.000 0.786 241 R N -1.041 119.375 120.500 -0.140 0.000 2.276 241 R HA 0.228 4.624 4.340 0.094 0.000 0.196 241 R C 2.104 178.357 176.300 -0.078 0.000 0.961 241 R CA 0.280 56.320 56.100 -0.100 0.000 1.024 241 R CB -0.102 30.148 30.300 -0.083 0.000 0.940 241 R HN 0.274 nan 8.270 nan 0.000 0.480 242 L N -0.444 120.731 121.223 -0.081 0.000 2.362 242 L HA 0.180 4.576 4.340 0.094 0.000 0.204 242 L C 0.330 177.151 176.870 -0.081 0.000 1.060 242 L CA 0.493 55.294 54.840 -0.065 0.000 0.827 242 L CB 0.575 42.603 42.059 -0.051 0.000 1.027 242 L HN -0.145 nan 8.230 nan 0.000 0.474 243 V N 1.148 120.989 119.914 -0.122 0.000 2.305 243 V HA 0.215 4.391 4.120 0.094 0.000 0.275 243 V C -1.863 174.127 176.094 -0.173 0.000 1.020 243 V CA -0.824 61.374 62.300 -0.170 0.000 0.811 243 V CB 1.267 32.912 31.823 -0.297 0.000 1.031 243 V HN -0.001 nan 8.190 nan 0.000 0.439 244 P HA -0.071 nan 4.420 nan 0.000 0.225 244 P C 1.445 178.717 177.300 -0.046 0.000 1.148 244 P CA 0.961 64.012 63.100 -0.082 0.000 0.779 244 P CB 0.034 31.701 31.700 -0.054 0.000 0.780 245 T N -3.662 110.864 114.554 -0.047 0.000 3.252 245 T HA 0.373 4.780 4.350 0.094 0.000 0.250 245 T C 0.849 175.622 174.700 0.121 0.000 1.123 245 T CA -0.324 61.801 62.100 0.041 0.000 1.006 245 T CB -0.780 68.137 68.868 0.082 0.000 0.992 245 T HN 0.020 nan 8.240 nan 0.000 0.547 246 A N 1.886 124.721 122.820 0.026 0.000 2.445 246 A HA 0.522 4.898 4.320 0.094 0.000 0.242 246 A C 0.480 178.296 177.584 0.388 0.000 1.075 246 A CA -0.492 51.657 52.037 0.188 0.000 0.777 246 A CB 0.295 19.342 19.000 0.078 0.000 1.013 246 A HN 0.539 nan 8.150 nan 0.000 0.493 247 R N 0.928 121.664 120.500 0.393 0.000 2.637 247 R HA 0.332 4.729 4.340 0.094 0.000 0.291 247 R C -0.105 176.158 176.300 -0.063 0.000 0.963 247 R CA -0.864 55.358 56.100 0.203 0.000 0.901 247 R CB 1.890 32.257 30.300 0.110 0.000 1.160 247 R HN 0.883 nan 8.270 nan 0.000 0.457 248 R N 2.971 123.212 120.500 -0.433 0.000 2.522 248 R HA 0.082 4.478 4.340 0.094 0.000 0.284 248 R C -0.471 175.642 176.300 -0.311 0.000 1.032 248 R CA 0.163 55.819 56.100 -0.741 0.000 1.049 248 R CB 0.298 30.212 30.300 -0.642 0.000 0.956 248 R HN 0.510 nan 8.270 nan 0.000 0.422 249 I N 8.606 129.025 120.570 -0.252 0.000 2.297 249 I HA 0.191 4.417 4.170 0.094 0.000 0.291 249 I C -1.607 174.430 176.117 -0.133 0.000 1.033 249 I CA -2.445 58.775 61.300 -0.134 0.000 1.253 249 I CB 1.796 39.749 38.000 -0.078 0.000 1.396 249 I HN 0.556 nan 8.210 nan 0.000 0.476 250 P HA -0.091 nan 4.420 nan 0.000 0.215 250 P C -0.204 177.042 177.300 -0.090 0.000 1.153 250 P CA 1.386 64.426 63.100 -0.100 0.000 0.853 250 P CB 0.247 31.900 31.700 -0.078 0.000 0.788 251 K N -0.884 119.468 120.400 -0.080 0.000 2.427 251 K HA 0.560 4.937 4.320 0.094 0.000 0.252 251 K C -1.467 175.086 176.600 -0.079 0.000 0.931 251 K CA -0.741 55.497 56.287 -0.082 0.000 0.793 251 K CB 1.903 34.359 32.500 -0.074 0.000 1.211 251 K HN -0.215 nan 8.250 nan 0.000 0.426 252 L N 1.377 122.545 121.223 -0.093 0.000 2.434 252 L HA 0.399 4.795 4.340 0.094 0.000 0.260 252 L C -0.550 176.244 176.870 -0.126 0.000 0.983 252 L CA -0.298 54.493 54.840 -0.082 0.000 0.820 252 L CB 2.237 44.262 42.059 -0.057 0.000 1.361 252 L HN 0.800 nan 8.230 nan 0.000 0.410 253 S N 1.489 117.127 115.700 -0.104 0.000 2.632 253 S HA 0.317 4.843 4.470 0.094 0.000 0.267 253 S C 0.998 175.545 174.600 -0.088 0.000 1.276 253 S CA -0.206 57.909 58.200 -0.142 0.000 0.998 253 S CB 0.493 63.653 63.200 -0.066 0.000 0.953 253 S HN 0.457 nan 8.310 nan 0.000 0.547 254 Y N 0.546 120.847 120.300 0.001 0.000 2.081 254 Y HA -0.107 4.499 4.550 0.093 0.000 0.280 254 Y C 2.335 178.236 175.900 0.001 0.000 1.163 254 Y CA 1.391 59.494 58.100 0.005 0.000 1.135 254 Y CB -0.910 37.554 38.460 0.008 0.000 0.970 254 Y HN 0.676 nan 8.280 nan 0.000 0.498 255 I N 0.417 121.085 120.570 0.163 0.000 2.226 255 I HA -0.262 3.964 4.170 0.094 0.000 0.245 255 I C 2.046 178.199 176.117 0.060 0.000 1.100 255 I CA 1.593 62.943 61.300 0.082 0.000 1.374 255 I CB -0.565 37.468 38.000 0.055 0.000 1.057 255 I HN 0.248 nan 8.210 nan 0.000 0.413 256 E N 0.312 120.539 120.200 0.046 0.000 2.085 256 E HA -0.243 4.164 4.350 0.094 0.000 0.194 256 E C 2.235 178.867 176.600 0.053 0.000 0.994 256 E CA 1.426 57.848 56.400 0.036 0.000 0.801 256 E CB -0.366 29.339 29.700 0.009 0.000 0.743 256 E HN 0.647 nan 8.360 nan 0.000 0.453 257 A N 0.941 123.794 122.820 0.056 0.000 1.897 257 A HA -0.146 4.230 4.320 0.094 0.000 0.215 257 A C 2.111 179.742 177.584 0.077 0.000 1.181 257 A CA 1.180 53.256 52.037 0.065 0.000 0.620 257 A CB -0.428 18.612 19.000 0.067 0.000 0.821 257 A HN 0.224 nan 8.150 nan 0.000 0.443 258 M N -0.572 119.074 119.600 0.077 0.000 2.117 258 M HA -0.169 4.367 4.480 0.094 0.000 0.262 258 M C 1.866 178.196 176.300 0.050 0.000 1.065 258 M CA 1.751 57.079 55.300 0.047 0.000 1.114 258 M CB -0.183 32.426 32.600 0.015 0.000 1.361 258 M HN 0.405 nan 8.290 nan 0.000 0.408 259 E N 0.307 120.555 120.200 0.081 0.000 2.072 259 E HA -0.165 4.241 4.350 0.094 0.000 0.191 259 E C 2.115 178.888 176.600 0.288 0.000 0.985 259 E CA 1.180 57.691 56.400 0.186 0.000 0.801 259 E CB -0.456 29.371 29.700 0.211 0.000 0.750 259 E HN 0.565 nan 8.360 nan 0.000 0.452 260 L N 0.688 122.022 121.223 0.186 0.000 2.012 260 L HA -0.210 4.186 4.340 0.094 0.000 0.210 260 L C 2.608 179.557 176.870 0.132 0.000 1.073 260 L CA 1.279 56.217 54.840 0.163 0.000 0.748 260 L CB -0.557 41.563 42.059 0.102 0.000 0.891 260 L HN 0.092 nan 8.230 nan 0.000 0.431 261 A N -0.707 122.167 122.820 0.090 0.000 1.865 261 A HA -0.327 4.050 4.320 0.094 0.000 0.217 261 A C 2.157 179.736 177.584 -0.009 0.000 1.191 261 A CA 1.862 53.922 52.037 0.037 0.000 0.623 261 A CB -1.163 17.856 19.000 0.031 0.000 0.826 261 A HN 0.484 nan 8.150 nan 0.000 0.444 262 Y N -0.881 119.313 120.300 -0.176 0.000 2.193 262 Y HA -0.215 4.392 4.550 0.095 0.000 0.285 262 Y C 1.231 176.879 175.900 -0.421 0.000 1.166 262 Y CA 1.872 59.756 58.100 -0.361 0.000 1.181 262 Y CB -0.263 37.899 38.460 -0.498 0.000 0.976 262 Y HN 0.266 nan 8.280 nan 0.000 0.520 263 F N -0.474 119.491 119.950 0.025 0.000 2.639 263 F HA 0.363 4.946 4.527 0.093 0.000 0.300 263 F C 1.476 177.229 175.800 -0.077 0.000 1.109 263 F CA 0.439 58.404 58.000 -0.058 0.000 1.335 263 F CB 0.627 39.636 39.000 0.016 0.000 1.014 263 F HN 0.131 nan 8.300 nan 0.000 0.537 264 G N -0.350 108.474 108.800 0.040 0.000 2.227 264 G HA2 -0.050 3.967 3.960 0.094 0.000 0.168 264 G HA3 -0.050 3.967 3.960 0.094 0.000 0.168 264 G C 0.353 175.262 174.900 0.015 0.000 1.006 264 G CA -0.354 44.750 45.100 0.006 0.000 0.684 264 G HN 0.478 nan 8.290 nan 0.000 0.489 265 A N 1.128 123.970 122.820 0.037 0.000 2.797 265 A HA 0.577 4.953 4.320 0.094 0.000 0.296 265 A C 1.388 178.989 177.584 0.028 0.000 1.580 265 A CA 1.170 53.232 52.037 0.042 0.000 1.277 265 A CB -0.022 19.017 19.000 0.064 0.000 1.101 265 A HN 0.393 nan 8.150 nan 0.000 0.562 266 K N 1.498 121.908 120.400 0.017 0.000 2.228 266 K HA -0.185 4.192 4.320 0.094 0.000 0.205 266 K C 1.660 178.285 176.600 0.041 0.000 1.045 266 K CA 1.921 58.218 56.287 0.016 0.000 0.931 266 K CB -0.420 32.088 32.500 0.013 0.000 0.727 266 K HN 0.702 nan 8.250 nan 0.000 0.458 267 V N 0.139 120.084 119.914 0.052 0.000 2.428 267 V HA -0.185 3.992 4.120 0.094 0.000 0.255 267 V C 1.230 177.369 176.094 0.075 0.000 1.080 267 V CA 1.409 63.749 62.300 0.068 0.000 1.083 267 V CB -0.786 31.084 31.823 0.078 0.000 0.665 267 V HN 0.130 nan 8.190 nan 0.000 0.461 268 L N 0.123 121.390 121.223 0.073 0.000 2.385 268 L HA 0.503 4.899 4.340 0.094 0.000 0.273 268 L C -0.026 176.902 176.870 0.096 0.000 0.990 268 L CA -0.645 54.250 54.840 0.093 0.000 0.821 268 L CB 1.870 43.979 42.059 0.083 0.000 1.279 268 L HN 0.215 nan 8.230 nan 0.000 0.412 269 H N 4.643 123.741 119.070 0.048 0.000 2.815 269 H HA 0.092 4.703 4.556 0.092 0.000 0.350 269 H C -1.949 173.384 175.328 0.008 0.000 1.080 269 H CA -1.106 54.960 56.048 0.030 0.000 1.433 269 H CB 1.951 31.747 29.762 0.056 0.000 1.432 269 H HN 0.344 nan 8.280 nan 0.000 0.592 270 P HA -0.089 nan 4.420 nan 0.000 0.218 270 P C 1.070 178.381 177.300 0.018 0.000 1.148 270 P CA 1.447 64.504 63.100 -0.073 0.000 0.822 270 P CB 0.150 31.782 31.700 -0.113 0.000 0.784 271 R N -1.328 119.246 120.500 0.124 0.000 2.307 271 R HA 0.047 4.443 4.340 0.094 0.000 0.199 271 R C 1.723 177.991 176.300 -0.054 0.000 1.000 271 R CA 0.939 56.920 56.100 -0.197 0.000 1.023 271 R CB -0.784 28.976 30.300 -0.900 0.000 0.908 271 R HN 0.230 nan 8.270 nan 0.000 0.473 272 T N 1.107 115.743 114.554 0.137 0.000 2.759 272 T HA -0.129 4.277 4.350 0.094 0.000 0.269 272 T C 1.670 176.449 174.700 0.132 0.000 1.042 272 T CA 1.111 63.326 62.100 0.191 0.000 1.140 272 T CB -0.062 68.910 68.868 0.174 0.000 0.864 272 T HN 0.062 nan 8.240 nan 0.000 0.455 273 I N 0.982 121.602 120.570 0.083 0.000 2.233 273 I HA -0.041 4.185 4.170 0.094 0.000 0.243 273 I C 2.515 178.609 176.117 -0.037 0.000 1.093 273 I CA 1.104 62.441 61.300 0.061 0.000 1.380 273 I CB -0.487 37.567 38.000 0.089 0.000 1.067 273 I HN 0.219 nan 8.210 nan 0.000 0.413 274 E N 0.323 120.499 120.200 -0.039 0.000 2.065 274 E HA -0.249 4.157 4.350 0.094 0.000 0.201 274 E C -0.441 176.122 176.600 -0.060 0.000 1.016 274 E CA 2.026 58.383 56.400 -0.071 0.000 0.818 274 E CB -1.148 28.513 29.700 -0.064 0.000 0.749 274 E HN 0.398 nan 8.360 nan 0.000 0.453 275 P HA -0.123 nan 4.420 nan 0.000 0.217 275 P C 0.928 178.322 177.300 0.156 0.000 1.150 275 P CA 1.739 64.876 63.100 0.061 0.000 0.832 275 P CB 0.015 31.736 31.700 0.034 0.000 0.787 276 A N -0.606 122.233 122.820 0.031 0.000 1.898 276 A HA -0.166 4.211 4.320 0.094 0.000 0.216 276 A C 2.296 179.668 177.584 -0.353 0.000 1.181 276 A CA 1.736 53.753 52.037 -0.034 0.000 0.620 276 A CB -1.496 17.539 19.000 0.058 0.000 0.819 276 A HN 0.121 nan 8.150 nan 0.000 0.442 277 M N 0.364 119.540 119.600 -0.706 0.000 2.080 277 M HA -0.229 4.307 4.480 0.094 0.000 0.260 277 M C 2.011 178.043 176.300 -0.447 0.000 1.068 277 M CA 2.469 57.069 55.300 -1.167 0.000 1.109 277 M CB -0.300 31.854 32.600 -0.744 0.000 1.342 277 M HN 0.641 nan 8.290 nan 0.000 0.405 278 E N -0.688 119.405 120.200 -0.179 0.000 2.511 278 E HA -0.118 4.288 4.350 0.094 0.000 0.196 278 E C 1.049 177.650 176.600 0.001 0.000 1.066 278 E CA 0.659 57.037 56.400 -0.037 0.000 0.871 278 E CB -0.068 29.658 29.700 0.042 0.000 0.863 278 E HN 0.508 nan 8.360 nan 0.000 0.520 279 K N -0.042 120.343 120.400 -0.025 0.000 2.413 279 K HA 0.153 4.529 4.320 0.094 0.000 0.204 279 K C 0.512 177.099 176.600 -0.022 0.000 1.041 279 K CA 0.319 56.572 56.287 -0.057 0.000 1.082 279 K CB 1.133 33.542 32.500 -0.151 0.000 0.871 279 K HN 0.256 nan 8.250 nan 0.000 0.535 280 G N 2.554 111.352 108.800 -0.003 0.000 2.305 280 G HA2 -0.264 3.752 3.960 0.094 0.000 0.287 280 G HA3 -0.264 3.752 3.960 0.094 0.000 0.287 280 G C 0.007 175.000 174.900 0.155 0.000 1.036 280 G CA 0.128 45.304 45.100 0.127 0.000 0.887 280 G HN 0.280 nan 8.290 nan 0.000 0.505 281 I N 2.053 122.699 120.570 0.126 0.000 2.352 281 I HA 0.254 4.481 4.170 0.094 0.000 0.290 281 I C -1.371 174.886 176.117 0.234 0.000 1.036 281 I CA -2.312 59.066 61.300 0.129 0.000 1.336 281 I CB 1.142 39.188 38.000 0.077 0.000 1.407 281 I HN -0.037 nan 8.210 nan 0.000 0.497 282 P HA 0.210 nan 4.420 nan 0.000 0.272 282 P C -0.667 176.702 177.300 0.115 0.000 1.223 282 P CA 0.057 63.233 63.100 0.127 0.000 0.784 282 P CB 1.037 32.760 31.700 0.037 0.000 0.923 283 I N 2.324 122.950 120.570 0.094 0.000 2.378 283 I HA 0.276 4.502 4.170 0.094 0.000 0.291 283 I C -0.052 176.056 176.117 -0.014 0.000 0.992 283 I CA -0.965 60.371 61.300 0.060 0.000 1.154 283 I CB 1.644 39.706 38.000 0.104 0.000 1.315 283 I HN 0.144 nan 8.210 nan 0.000 0.448 284 L N 8.544 129.738 121.223 -0.048 0.000 2.298 284 L HA 0.504 4.900 4.340 0.094 0.000 0.284 284 L C -0.622 176.136 176.870 -0.187 0.000 1.013 284 L CA -0.385 54.387 54.840 -0.113 0.000 0.824 284 L CB 1.461 43.450 42.059 -0.117 0.000 1.221 284 L HN 0.285 nan 8.230 nan 0.000 0.418 285 V N 5.723 125.531 119.914 -0.177 0.000 2.432 285 V HA 0.518 4.695 4.120 0.094 0.000 0.275 285 V C 0.168 176.079 176.094 -0.304 0.000 1.043 285 V CA -0.578 61.599 62.300 -0.205 0.000 0.925 285 V CB 1.037 32.805 31.823 -0.092 0.000 0.985 285 V HN 0.721 nan 8.190 nan 0.000 0.466 286 K N 2.819 122.927 120.400 -0.488 0.000 2.482 286 K HA 0.451 4.827 4.320 0.094 0.000 0.257 286 K C -0.919 175.475 176.600 -0.345 0.000 0.969 286 K CA -1.047 54.865 56.287 -0.624 0.000 0.842 286 K CB 2.135 33.798 32.500 -1.394 0.000 1.359 286 K HN 0.544 nan 8.250 nan 0.000 0.441 287 N N 1.091 119.721 118.700 -0.117 0.000 2.426 287 N HA 0.050 4.847 4.740 0.094 0.000 0.275 287 N C 0.606 176.358 175.510 0.403 0.000 1.019 287 N CA -0.007 53.152 53.050 0.182 0.000 0.941 287 N CB 1.580 40.194 38.487 0.211 0.000 1.123 287 N HN 0.681 nan 8.380 nan 0.000 0.486 288 T N 0.905 115.763 114.554 0.507 0.000 2.951 288 T HA -0.014 4.392 4.350 0.094 0.000 0.268 288 T C 1.315 176.125 174.700 0.182 0.000 1.073 288 T CA 0.976 63.361 62.100 0.475 0.000 1.134 288 T CB -0.413 68.599 68.868 0.239 0.000 0.884 288 T HN 0.384 nan 8.240 nan 0.000 0.479 289 F N 1.125 121.253 119.950 0.296 0.000 2.789 289 F HA 0.474 5.055 4.527 0.091 0.000 0.300 289 F C 1.125 177.019 175.800 0.157 0.000 1.132 289 F CA -0.191 57.901 58.000 0.152 0.000 1.404 289 F CB 0.168 39.215 39.000 0.079 0.000 1.114 289 F HN 0.188 nan 8.300 nan 0.000 0.584 290 E N 0.032 120.434 120.200 0.337 0.000 3.544 290 E HA 0.208 4.614 4.350 0.094 0.000 0.264 290 E C -2.046 174.701 176.600 0.245 0.000 1.225 290 E CA -1.593 54.956 56.400 0.249 0.000 1.045 290 E CB 0.415 30.235 29.700 0.200 0.000 1.338 290 E HN -0.135 nan 8.360 nan 0.000 0.395 291 P HA -0.062 nan 4.420 nan 0.000 0.234 291 P C 0.487 177.937 177.300 0.249 0.000 1.167 291 P CA 0.583 63.924 63.100 0.401 0.000 0.763 291 P CB 0.600 32.555 31.700 0.425 0.000 0.835 292 E N -0.155 120.146 120.200 0.168 0.000 2.385 292 E HA 0.016 4.423 4.350 0.094 0.000 0.194 292 E C 0.894 177.536 176.600 0.069 0.000 1.013 292 E CA 0.227 56.694 56.400 0.111 0.000 0.866 292 E CB -0.374 29.383 29.700 0.095 0.000 0.832 292 E HN 0.145 nan 8.360 nan 0.000 0.500 293 S N 1.343 117.080 115.700 0.062 0.000 2.549 293 S HA -0.035 4.491 4.470 0.094 0.000 0.286 293 S C 1.207 175.792 174.600 -0.025 0.000 1.314 293 S CA -0.263 57.950 58.200 0.021 0.000 1.062 293 S CB 0.736 63.953 63.200 0.029 0.000 0.865 293 S HN -0.008 nan 8.310 nan 0.000 0.498 294 E N 3.394 123.573 120.200 -0.035 0.000 2.204 294 E HA 0.028 4.435 4.350 0.094 0.000 0.195 294 E C 1.560 178.102 176.600 -0.097 0.000 0.990 294 E CA 0.825 57.191 56.400 -0.057 0.000 0.821 294 E CB -0.763 28.909 29.700 -0.048 0.000 0.750 294 E HN 0.971 nan 8.360 nan 0.000 0.477 295 G N 0.561 109.297 108.800 -0.107 0.000 2.547 295 G HA2 -0.287 3.730 3.960 0.094 0.000 0.271 295 G HA3 -0.287 3.730 3.960 0.094 0.000 0.271 295 G C -0.086 174.731 174.900 -0.138 0.000 1.209 295 G CA 0.358 45.376 45.100 -0.136 0.000 0.959 295 G HN 0.242 nan 8.290 nan 0.000 0.563 296 T N 0.540 115.014 114.554 -0.133 0.000 2.841 296 T HA 0.550 4.957 4.350 0.094 0.000 0.285 296 T C -0.696 173.942 174.700 -0.104 0.000 0.991 296 T CA -0.261 61.770 62.100 -0.114 0.000 0.966 296 T CB 1.810 70.619 68.868 -0.097 0.000 0.962 296 T HN 0.865 nan 8.240 nan 0.000 0.438 297 L N 4.729 125.893 121.223 -0.097 0.000 2.272 297 L HA 0.640 5.037 4.340 0.094 0.000 0.289 297 L C -1.082 175.719 176.870 -0.115 0.000 1.032 297 L CA -0.466 54.317 54.840 -0.095 0.000 0.810 297 L CB 0.526 42.533 42.059 -0.086 0.000 1.205 297 L HN 0.621 nan 8.230 nan 0.000 0.422 298 I N 5.394 125.890 120.570 -0.123 0.000 2.328 298 I HA 0.496 4.722 4.170 0.094 0.000 0.287 298 I C 0.319 176.192 176.117 -0.406 0.000 1.012 298 I CA -0.058 61.120 61.300 -0.203 0.000 1.195 298 I CB 1.314 39.261 38.000 -0.089 0.000 1.350 298 I HN 0.771 nan 8.210 nan 0.000 0.464 299 T N 0.182 114.383 114.554 -0.587 0.000 2.591 299 T HA 0.324 4.731 4.350 0.094 0.000 0.274 299 T C 0.523 174.725 174.700 -0.831 0.000 0.945 299 T CA -0.612 61.058 62.100 -0.716 0.000 1.087 299 T CB 1.047 69.751 68.868 -0.274 0.000 1.416 299 T HN 0.375 nan 8.240 nan 0.000 0.514 300 N N 0.620 119.106 118.700 -0.357 0.000 2.354 300 N HA 0.074 4.870 4.740 0.094 0.000 0.179 300 N C -0.463 174.995 175.510 -0.086 0.000 1.021 300 N CA 0.336 53.324 53.050 -0.103 0.000 0.887 300 N CB -0.067 38.452 38.487 0.054 0.000 0.974 300 N HN 0.509 nan 8.380 nan 0.000 0.437 301 D N 0.794 121.130 120.400 -0.107 0.000 2.488 301 D HA -0.012 4.685 4.640 0.094 0.000 0.238 301 D C -0.250 176.009 176.300 -0.070 0.000 1.138 301 D CA 0.782 54.739 54.000 -0.071 0.000 0.873 301 D CB 0.749 41.506 40.800 -0.071 0.000 1.183 301 D HN 0.153 nan 8.370 nan 0.000 0.458 302 M N 1.864 121.438 119.600 -0.043 0.000 2.204 302 M HA 0.201 4.737 4.480 0.094 0.000 0.293 302 M C -1.042 175.241 176.300 -0.029 0.000 0.994 302 M CA -0.424 54.854 55.300 -0.036 0.000 0.925 302 M CB 1.748 34.335 32.600 -0.022 0.000 1.577 302 M HN 0.161 nan 8.290 nan 0.000 0.439 303 E N 4.400 124.581 120.200 -0.032 0.000 2.199 303 E HA 0.436 4.842 4.350 0.094 0.000 0.265 303 E C -1.053 175.533 176.600 -0.024 0.000 0.882 303 E CA -0.539 55.845 56.400 -0.026 0.000 0.759 303 E CB 2.217 31.900 29.700 -0.029 0.000 1.148 303 E HN 0.695 nan 8.360 nan 0.000 0.412 304 M N 1.912 121.500 119.600 -0.020 0.000 2.245 304 M HA 0.058 4.595 4.480 0.094 0.000 0.344 304 M C 0.562 176.851 176.300 -0.017 0.000 1.170 304 M CA 0.419 55.708 55.300 -0.019 0.000 1.135 304 M CB 0.982 33.573 32.600 -0.015 0.000 1.574 304 M HN 0.369 nan 8.290 nan 0.000 0.452 305 S N 1.273 116.963 115.700 -0.017 0.000 2.652 305 S HA 0.128 4.654 4.470 0.094 0.000 0.270 305 S C 0.650 175.249 174.600 -0.001 0.000 1.243 305 S CA -0.713 57.480 58.200 -0.011 0.000 0.999 305 S CB 0.881 64.074 63.200 -0.012 0.000 0.973 305 S HN 0.696 nan 8.310 nan 0.000 0.544 306 D N 1.723 122.125 120.400 0.005 0.000 2.078 306 D HA -0.092 4.604 4.640 0.094 0.000 0.193 306 D C 2.033 178.352 176.300 0.031 0.000 0.990 306 D CA 2.074 56.081 54.000 0.012 0.000 0.827 306 D CB -0.651 40.154 40.800 0.008 0.000 0.975 306 D HN 0.688 nan 8.370 nan 0.000 0.451 307 S N -0.556 115.176 115.700 0.054 0.000 2.607 307 S HA 0.073 4.600 4.470 0.094 0.000 0.224 307 S C 1.612 176.283 174.600 0.119 0.000 0.969 307 S CA 0.180 58.457 58.200 0.129 0.000 0.927 307 S CB 0.210 63.524 63.200 0.190 0.000 0.772 307 S HN 0.374 nan 8.310 nan 0.000 0.533 308 I N -1.369 119.217 120.570 0.027 0.000 4.538 308 I HA -0.282 3.945 4.170 0.094 0.000 0.053 308 I C 0.185 176.242 176.117 -0.100 0.000 0.613 308 I CA 1.146 62.426 61.300 -0.034 0.000 0.944 308 I CB -1.529 36.449 38.000 -0.038 0.000 0.852 308 I HN 0.237 nan 8.210 nan 0.000 0.162 309 V N 2.806 122.596 119.914 -0.208 0.000 2.493 309 V HA -0.079 4.097 4.120 0.094 0.000 0.292 309 V C 1.232 177.247 176.094 -0.132 0.000 1.016 309 V CA 1.119 63.236 62.300 -0.304 0.000 1.097 309 V CB 0.927 32.286 31.823 -0.774 0.000 0.947 309 V HN 0.268 nan 8.190 nan 0.000 0.479 310 K N 3.059 123.403 120.400 -0.092 0.000 2.335 310 K HA 0.537 4.913 4.320 0.094 0.000 0.195 310 K C 0.428 177.017 176.600 -0.018 0.000 1.058 310 K CA 0.757 57.018 56.287 -0.042 0.000 0.988 310 K CB 0.848 33.327 32.500 -0.034 0.000 0.880 310 K HN 0.805 nan 8.250 nan 0.000 0.513 311 A N 0.714 123.523 122.820 -0.019 0.000 2.612 311 A HA 0.669 5.045 4.320 0.094 0.000 0.293 311 A C -1.714 175.884 177.584 0.023 0.000 1.075 311 A CA -0.740 51.316 52.037 0.031 0.000 0.680 311 A CB 1.099 20.127 19.000 0.046 0.000 1.279 311 A HN 0.077 nan 8.150 nan 0.000 0.411 312 I N 1.481 122.093 120.570 0.070 0.000 2.499 312 I HA 0.529 4.755 4.170 0.094 0.000 0.288 312 I C 0.175 176.321 176.117 0.048 0.000 1.048 312 I CA -0.346 60.985 61.300 0.051 0.000 1.062 312 I CB 2.419 40.477 38.000 0.097 0.000 1.238 312 I HN 0.723 nan 8.210 nan 0.000 0.426 313 S N 2.887 118.598 115.700 0.017 0.000 2.600 313 S HA 0.926 5.453 4.470 0.094 0.000 0.300 313 S C -0.422 174.169 174.600 -0.015 0.000 1.087 313 S CA -0.618 57.597 58.200 0.026 0.000 0.965 313 S CB 2.133 65.376 63.200 0.072 0.000 1.089 313 S HN 0.678 nan 8.310 nan 0.000 0.496 314 T N -1.173 113.377 114.554 -0.007 0.000 2.903 314 T HA 0.740 5.146 4.350 0.094 0.000 0.299 314 T C -0.883 173.809 174.700 -0.013 0.000 1.093 314 T CA -0.831 61.249 62.100 -0.032 0.000 1.002 314 T CB 0.774 69.622 68.868 -0.034 0.000 1.127 314 T HN 0.661 nan 8.240 nan 0.000 0.488 315 I N 2.284 122.842 120.570 -0.019 0.000 2.439 315 I HA 0.440 4.666 4.170 0.094 0.000 0.285 315 I C 1.082 177.186 176.117 -0.022 0.000 1.021 315 I CA -0.880 60.408 61.300 -0.020 0.000 1.091 315 I CB 2.123 40.109 38.000 -0.022 0.000 1.242 315 I HN 0.761 nan 8.210 nan 0.000 0.439 316 K N 3.447 123.836 120.400 -0.019 0.000 2.137 316 K HA 0.105 4.482 4.320 0.094 0.000 0.202 316 K C 0.705 177.299 176.600 -0.011 0.000 1.052 316 K CA 0.787 57.066 56.287 -0.013 0.000 0.961 316 K CB 0.295 32.788 32.500 -0.010 0.000 0.741 316 K HN 0.484 nan 8.250 nan 0.000 0.452 317 N N 1.881 120.572 118.700 -0.015 0.000 3.243 317 N HA 0.028 4.824 4.740 0.094 0.000 0.310 317 N C -0.830 174.673 175.510 -0.013 0.000 1.313 317 N CA 0.125 53.168 53.050 -0.012 0.000 1.204 317 N CB 0.307 38.786 38.487 -0.013 0.000 1.483 317 N HN 0.068 nan 8.380 nan 0.000 0.553 318 V N -2.950 116.959 119.914 -0.008 0.000 3.141 318 V HA 1.008 5.184 4.120 0.094 0.000 0.312 318 V C -0.386 175.711 176.094 0.005 0.000 1.157 318 V CA -1.415 60.883 62.300 -0.003 0.000 1.041 318 V CB 1.794 33.615 31.823 -0.003 0.000 1.071 318 V HN 0.130 nan 8.190 nan 0.000 0.441 319 A N 1.848 124.673 122.820 0.009 0.000 2.435 319 A HA 0.855 5.231 4.320 0.094 0.000 0.304 319 A C -1.207 176.386 177.584 0.015 0.000 1.064 319 A CA -0.697 51.348 52.037 0.013 0.000 0.727 319 A CB 1.677 20.685 19.000 0.014 0.000 1.284 319 A HN 1.472 nan 8.150 nan 0.000 0.415 320 L N 2.744 123.976 121.223 0.014 0.000 2.265 320 L HA 0.600 4.997 4.340 0.094 0.000 0.288 320 L C -0.836 176.036 176.870 0.003 0.000 1.058 320 L CA 0.017 54.863 54.840 0.010 0.000 0.809 320 L CB 0.167 42.231 42.059 0.009 0.000 1.179 320 L HN 0.526 nan 8.230 nan 0.000 0.429 321 I N 5.522 126.088 120.570 -0.007 0.000 2.355 321 I HA 0.329 4.556 4.170 0.094 0.000 0.288 321 I C -0.386 175.688 176.117 -0.071 0.000 0.999 321 I CA -0.504 60.783 61.300 -0.022 0.000 1.163 321 I CB 1.146 39.139 38.000 -0.012 0.000 1.316 321 I HN 0.558 nan 8.210 nan 0.000 0.454 322 N N 7.792 126.426 118.700 -0.111 0.000 2.469 322 N HA 0.460 5.256 4.740 0.094 0.000 0.253 322 N C -0.634 174.660 175.510 -0.359 0.000 0.970 322 N CA -0.356 52.526 53.050 -0.280 0.000 0.940 322 N CB 2.004 40.256 38.487 -0.393 0.000 1.128 322 N HN 0.466 nan 8.380 nan 0.000 0.503 323 I N 2.975 123.353 120.570 -0.320 0.000 2.342 323 I HA 0.229 4.456 4.170 0.094 0.000 0.291 323 I C -0.183 175.727 176.117 -0.345 0.000 1.010 323 I CA -0.429 60.725 61.300 -0.244 0.000 1.308 323 I CB 0.358 38.238 38.000 -0.200 0.000 1.400 323 I HN 0.228 nan 8.210 nan 0.000 0.488 324 F N 4.549 124.441 119.950 -0.097 0.000 2.404 324 F HA 0.429 5.012 4.527 0.094 0.000 0.358 324 F C 1.164 176.898 175.800 -0.109 0.000 1.120 324 F CA -0.395 57.556 58.000 -0.082 0.000 1.144 324 F CB 0.970 39.933 39.000 -0.063 0.000 1.133 324 F HN 0.452 nan 8.300 nan 0.000 0.495 325 G N 1.289 110.112 108.800 0.038 0.000 2.599 325 G HA2 0.421 4.437 3.960 0.094 0.000 0.264 325 G HA3 0.421 4.437 3.960 0.094 0.000 0.264 325 G C 0.206 175.120 174.900 0.023 0.000 1.200 325 G CA -0.399 44.693 45.100 -0.014 0.000 0.896 325 G HN 0.819 nan 8.290 nan 0.000 0.536 326 A N -0.199 122.623 122.820 0.003 0.000 2.532 326 A HA 0.637 5.013 4.320 0.094 0.000 0.273 326 A C 1.287 178.900 177.584 0.048 0.000 1.342 326 A CA 1.010 53.062 52.037 0.025 0.000 0.929 326 A CB -1.028 17.982 19.000 0.017 0.000 1.051 326 A HN 2.443 nan 8.150 nan 0.000 0.521 327 G N -0.370 108.457 108.800 0.045 0.000 2.418 327 G HA2 -0.124 3.893 3.960 0.094 0.000 0.206 327 G HA3 -0.124 3.893 3.960 0.094 0.000 0.206 327 G C 0.026 174.955 174.900 0.048 0.000 1.202 327 G CA -0.278 44.853 45.100 0.052 0.000 1.061 327 G HN 0.249 nan 8.290 nan 0.000 0.563 328 M N 2.484 122.118 119.600 0.058 0.000 3.596 328 M HA 0.253 4.789 4.480 0.094 0.000 0.219 328 M C 1.598 177.932 176.300 0.056 0.000 1.471 328 M CA 0.468 55.799 55.300 0.052 0.000 1.644 328 M CB -0.452 32.181 32.600 0.055 0.000 1.083 328 M HN 1.067 nan 8.290 nan 0.000 0.579 329 V N -1.804 118.139 119.914 0.048 0.000 3.578 329 V HA 0.556 4.732 4.120 0.094 0.000 0.290 329 V C 0.694 176.816 176.094 0.047 0.000 1.376 329 V CA 0.140 62.470 62.300 0.049 0.000 1.083 329 V CB -0.377 31.473 31.823 0.046 0.000 0.911 329 V HN 0.850 nan 8.190 nan 0.000 0.433 330 G N 0.527 109.353 108.800 0.044 0.000 3.391 330 G HA2 -0.031 3.985 3.960 0.094 0.000 0.683 330 G HA3 -0.031 3.985 3.960 0.094 0.000 0.683 330 G C 0.096 175.025 174.900 0.049 0.000 1.071 330 G CA 0.278 45.404 45.100 0.044 0.000 0.904 330 G HN 1.374 nan 8.290 nan 0.000 0.452 331 V N 1.571 121.513 119.914 0.046 0.000 2.358 331 V HA -0.062 4.114 4.120 0.094 0.000 0.246 331 V C 2.694 178.832 176.094 0.073 0.000 1.047 331 V CA 3.199 65.530 62.300 0.052 0.000 1.035 331 V CB -0.319 31.532 31.823 0.046 0.000 0.658 331 V HN 1.912 nan 8.190 nan 0.000 0.452 332 S N 0.788 116.530 115.700 0.069 0.000 2.402 332 S HA 0.034 4.560 4.470 0.094 0.000 0.229 332 S C 2.135 176.789 174.600 0.090 0.000 1.021 332 S CA 1.206 59.455 58.200 0.082 0.000 0.974 332 S CB -1.211 62.026 63.200 0.062 0.000 0.800 332 S HN 0.863 nan 8.310 nan 0.000 0.484 333 G N 1.868 110.715 108.800 0.077 0.000 2.421 333 G HA2 -0.191 3.826 3.960 0.094 0.000 0.216 333 G HA3 -0.191 3.826 3.960 0.094 0.000 0.216 333 G C 1.688 176.652 174.900 0.106 0.000 1.171 333 G CA 1.591 46.739 45.100 0.080 0.000 0.775 333 G HN 0.679 nan 8.290 nan 0.000 0.543 334 T N -0.820 113.800 114.554 0.110 0.000 2.985 334 T HA 0.317 4.723 4.350 0.094 0.000 0.266 334 T C 2.519 177.301 174.700 0.137 0.000 1.076 334 T CA 1.586 63.773 62.100 0.144 0.000 1.135 334 T CB -0.213 68.705 68.868 0.083 0.000 0.890 334 T HN 0.300 nan 8.240 nan 0.000 0.480 335 A N 1.466 124.361 122.820 0.126 0.000 1.930 335 A HA 0.402 4.778 4.320 0.094 0.000 0.217 335 A C 2.826 180.566 177.584 0.259 0.000 1.175 335 A CA 1.669 53.815 52.037 0.182 0.000 0.627 335 A CB -1.367 17.804 19.000 0.286 0.000 0.815 335 A HN 0.778 nan 8.150 nan 0.000 0.443 336 A N -0.125 122.813 122.820 0.196 0.000 1.908 336 A HA -0.193 4.184 4.320 0.094 0.000 0.218 336 A C 2.276 179.940 177.584 0.134 0.000 1.181 336 A CA 1.698 53.835 52.037 0.167 0.000 0.627 336 A CB -0.418 18.645 19.000 0.105 0.000 0.818 336 A HN 0.547 nan 8.150 nan 0.000 0.445 337 R N -1.001 119.566 120.500 0.111 0.000 2.119 337 R HA 0.146 4.542 4.340 0.094 0.000 0.222 337 R C 1.996 178.328 176.300 0.054 0.000 1.088 337 R CA 1.009 57.127 56.100 0.030 0.000 0.984 337 R CB -0.337 29.944 30.300 -0.033 0.000 0.884 337 R HN 0.559 nan 8.270 nan 0.000 0.447 338 I N -0.002 120.650 120.570 0.137 0.000 2.127 338 I HA -0.290 3.936 4.170 0.094 0.000 0.241 338 I C 1.531 177.543 176.117 -0.173 0.000 1.075 338 I CA 1.581 62.858 61.300 -0.037 0.000 1.334 338 I CB -0.142 37.654 38.000 -0.340 0.000 1.040 338 I HN 0.057 nan 8.210 nan 0.000 0.405 339 F N 0.732 120.733 119.950 0.085 0.000 2.456 339 F HA -0.064 4.519 4.527 0.093 0.000 0.298 339 F C 2.397 178.218 175.800 0.035 0.000 1.104 339 F CA 0.874 58.906 58.000 0.054 0.000 1.435 339 F CB -0.557 38.470 39.000 0.044 0.000 1.078 339 F HN -0.032 nan 8.300 nan 0.000 0.546 340 K N 1.076 121.575 120.400 0.166 0.000 2.009 340 K HA -0.179 4.197 4.320 0.094 0.000 0.210 340 K C 2.283 178.911 176.600 0.048 0.000 1.049 340 K CA 1.593 57.929 56.287 0.082 0.000 0.929 340 K CB -0.404 32.116 32.500 0.033 0.000 0.714 340 K HN 0.132 nan 8.250 nan 0.000 0.440 341 A N 0.964 123.794 122.820 0.016 0.000 1.877 341 A HA -0.114 4.263 4.320 0.094 0.000 0.216 341 A C 2.078 179.683 177.584 0.034 0.000 1.186 341 A CA 1.325 53.362 52.037 0.000 0.000 0.620 341 A CB -0.615 18.371 19.000 -0.023 0.000 0.822 341 A HN 0.319 nan 8.150 nan 0.000 0.443 342 L N -0.104 121.152 121.223 0.057 0.000 2.046 342 L HA -0.048 4.349 4.340 0.094 0.000 0.208 342 L C 2.712 179.638 176.870 0.093 0.000 1.077 342 L CA 1.853 56.740 54.840 0.078 0.000 0.747 342 L CB -1.366 40.755 42.059 0.103 0.000 0.896 342 L HN 0.406 nan 8.230 nan 0.000 0.432 343 G N -1.408 107.460 108.800 0.112 0.000 2.402 343 G HA2 -0.227 3.789 3.960 0.094 0.000 0.216 343 G HA3 -0.227 3.789 3.960 0.094 0.000 0.216 343 G C 1.543 176.477 174.900 0.057 0.000 1.162 343 G CA 0.533 45.687 45.100 0.090 0.000 0.777 343 G HN 0.411 nan 8.290 nan 0.000 0.539 344 E N -0.037 120.190 120.200 0.046 0.000 2.085 344 E HA -0.129 4.277 4.350 0.094 0.000 0.194 344 E C 2.165 178.783 176.600 0.030 0.000 0.994 344 E CA 1.042 57.460 56.400 0.030 0.000 0.801 344 E CB -0.018 29.692 29.700 0.017 0.000 0.743 344 E HN 0.335 nan 8.360 nan 0.000 0.453 345 E N 0.490 120.711 120.200 0.034 0.000 2.511 345 E HA -0.064 4.342 4.350 0.094 0.000 0.196 345 E C -0.470 176.153 176.600 0.039 0.000 1.066 345 E CA 0.153 56.574 56.400 0.034 0.000 0.871 345 E CB -0.099 29.621 29.700 0.033 0.000 0.863 345 E HN 0.154 nan 8.360 nan 0.000 0.520 346 E N -1.129 119.096 120.200 0.042 0.000 2.586 346 E HA -0.203 4.203 4.350 0.094 0.000 0.259 346 E C -0.806 175.821 176.600 0.046 0.000 1.107 346 E CA 0.264 56.690 56.400 0.043 0.000 0.754 346 E CB -1.478 28.245 29.700 0.038 0.000 1.335 346 E HN 0.024 nan 8.360 nan 0.000 0.411 347 V N 1.671 121.618 119.914 0.054 0.000 2.572 347 V HA -0.017 4.159 4.120 0.094 0.000 0.291 347 V C 0.927 177.059 176.094 0.063 0.000 1.039 347 V CA 0.201 62.535 62.300 0.056 0.000 1.055 347 V CB 1.168 33.028 31.823 0.061 0.000 0.969 347 V HN 0.256 nan 8.190 nan 0.000 0.482 348 N N 4.342 123.069 118.700 0.046 0.000 2.469 348 N HA 0.202 4.999 4.740 0.094 0.000 0.239 348 N C -0.667 174.869 175.510 0.044 0.000 1.053 348 N CA -0.312 52.760 53.050 0.036 0.000 0.937 348 N CB 1.526 40.016 38.487 0.005 0.000 1.163 348 N HN 0.545 nan 8.380 nan 0.000 0.509 349 V N 6.101 126.062 119.914 0.078 0.000 2.432 349 V HA 0.224 4.400 4.120 0.094 0.000 0.275 349 V C 1.037 177.182 176.094 0.084 0.000 1.043 349 V CA -0.429 61.932 62.300 0.101 0.000 0.925 349 V CB 0.796 32.733 31.823 0.190 0.000 0.985 349 V HN 0.529 nan 8.190 nan 0.000 0.466 350 I N 5.598 126.213 120.570 0.075 0.000 3.035 350 I HA 0.311 4.537 4.170 0.094 0.000 0.271 350 I C 0.205 176.451 176.117 0.214 0.000 1.190 350 I CA 0.802 62.154 61.300 0.087 0.000 1.472 350 I CB -0.146 37.874 38.000 0.033 0.000 1.116 350 I HN 0.452 nan 8.210 nan 0.000 0.443 351 L N 0.524 121.850 121.223 0.171 0.000 2.513 351 L HA 0.536 4.932 4.340 0.094 0.000 0.261 351 L C -1.011 175.941 176.870 0.136 0.000 0.945 351 L CA -0.111 54.830 54.840 0.168 0.000 0.848 351 L CB 2.775 44.920 42.059 0.145 0.000 1.334 351 L HN -0.111 nan 8.230 nan 0.000 0.407 352 I N 1.553 122.197 120.570 0.122 0.000 2.647 352 I HA 0.712 4.939 4.170 0.094 0.000 0.295 352 I C -0.564 175.607 176.117 0.091 0.000 1.078 352 I CA -0.572 60.806 61.300 0.130 0.000 1.048 352 I CB 2.264 40.352 38.000 0.146 0.000 1.239 352 I HN 0.472 nan 8.210 nan 0.000 0.421 353 S N 3.656 119.402 115.700 0.078 0.000 2.572 353 S HA 0.585 5.111 4.470 0.094 0.000 0.274 353 S C -1.525 173.096 174.600 0.035 0.000 1.150 353 S CA -0.494 57.735 58.200 0.047 0.000 0.944 353 S CB 1.478 64.694 63.200 0.026 0.000 1.071 353 S HN 0.601 nan 8.310 nan 0.000 0.479 354 Q N 2.560 122.381 119.800 0.034 0.000 2.271 354 Q HA 0.711 5.107 4.340 0.094 0.000 0.268 354 Q C -0.706 175.303 176.000 0.014 0.000 1.021 354 Q CA -0.509 55.307 55.803 0.021 0.000 0.802 354 Q CB 1.520 30.284 28.738 0.043 0.000 1.282 354 Q HN 0.805 nan 8.270 nan 0.000 0.431 355 G N 1.594 110.394 108.800 0.000 0.000 3.919 355 G HA2 0.474 4.491 3.960 0.094 0.000 0.284 355 G HA3 0.474 4.491 3.960 0.094 0.000 0.284 355 G C -1.494 173.403 174.900 -0.005 0.000 2.841 355 G CA 0.042 45.142 45.100 0.001 0.000 0.605 355 G HN 0.809 nan 8.290 nan 0.000 0.337 356 S N 0.372 116.071 115.700 -0.002 0.000 2.563 356 S HA 0.508 5.035 4.470 0.094 0.000 0.279 356 S C 1.275 175.879 174.600 0.006 0.000 1.155 356 S CA 0.458 58.656 58.200 -0.002 0.000 0.928 356 S CB 1.263 64.454 63.200 -0.014 0.000 1.107 356 S HN 1.244 nan 8.310 nan 0.000 0.462 357 S N 3.086 118.791 115.700 0.009 0.000 2.474 357 S HA 0.011 4.537 4.470 0.094 0.000 0.235 357 S C 0.848 175.459 174.600 0.018 0.000 0.997 357 S CA 0.889 59.096 58.200 0.013 0.000 0.949 357 S CB -0.447 62.759 63.200 0.010 0.000 0.766 357 S HN 0.810 nan 8.310 nan 0.000 0.517 358 E N 0.677 120.889 120.200 0.021 0.000 2.479 358 E HA 0.100 4.506 4.350 0.094 0.000 0.193 358 E C -0.204 176.408 176.600 0.021 0.000 1.049 358 E CA 0.384 56.803 56.400 0.031 0.000 0.870 358 E CB -0.094 29.637 29.700 0.052 0.000 0.944 358 E HN 0.577 nan 8.360 nan 0.000 0.492 359 T N 0.721 115.280 114.554 0.008 0.000 4.712 359 T HA -0.153 4.254 4.350 0.094 0.000 0.304 359 T C 0.008 174.688 174.700 -0.034 0.000 1.250 359 T CA 0.413 62.511 62.100 -0.004 0.000 2.371 359 T CB -1.675 67.195 68.868 0.003 0.000 1.829 359 T HN 0.206 nan 8.240 nan 0.000 0.953 360 N N 0.673 119.346 118.700 -0.045 0.000 2.381 360 N HA 0.612 5.409 4.740 0.094 0.000 0.241 360 N C 0.039 175.483 175.510 -0.110 0.000 1.279 360 N CA -0.103 52.877 53.050 -0.116 0.000 0.896 360 N CB 0.581 38.973 38.487 -0.158 0.000 1.118 360 N HN 0.676 nan 8.380 nan 0.000 0.438 361 I N -0.695 119.783 120.570 -0.155 0.000 2.827 361 I HA 0.235 4.461 4.170 0.094 0.000 0.298 361 I C -1.059 174.982 176.117 -0.127 0.000 1.235 361 I CA -0.444 60.798 61.300 -0.096 0.000 1.021 361 I CB 1.629 39.596 38.000 -0.055 0.000 1.259 361 I HN 0.274 nan 8.210 nan 0.000 0.427 362 S N 6.913 122.574 115.700 -0.066 0.000 2.454 362 S HA 0.739 5.265 4.470 0.094 0.000 0.306 362 S C -0.820 173.786 174.600 0.010 0.000 1.100 362 S CA -0.568 57.598 58.200 -0.058 0.000 1.087 362 S CB 1.297 64.466 63.200 -0.051 0.000 1.019 362 S HN 0.370 nan 8.310 nan 0.000 0.480 363 L N 2.254 123.483 121.223 0.009 0.000 2.388 363 L HA 0.716 5.112 4.340 0.094 0.000 0.264 363 L C -1.012 175.887 176.870 0.048 0.000 0.998 363 L CA -1.120 53.757 54.840 0.062 0.000 0.817 363 L CB 1.861 43.962 42.059 0.070 0.000 1.338 363 L HN 0.283 nan 8.230 nan 0.000 0.414 364 V N 2.754 122.710 119.914 0.070 0.000 2.384 364 V HA 0.556 4.732 4.120 0.094 0.000 0.287 364 V C -0.004 176.123 176.094 0.055 0.000 1.020 364 V CA -0.528 61.804 62.300 0.054 0.000 0.850 364 V CB 1.976 33.834 31.823 0.059 0.000 0.987 364 V HN 0.556 nan 8.190 nan 0.000 0.436 365 V N 2.351 122.287 119.914 0.037 0.000 3.158 365 V HA 0.581 4.757 4.120 0.094 0.000 0.315 365 V C 0.737 176.837 176.094 0.011 0.000 1.148 365 V CA -0.480 61.839 62.300 0.030 0.000 1.042 365 V CB 1.952 33.797 31.823 0.037 0.000 1.101 365 V HN 0.587 nan 8.190 nan 0.000 0.448 366 S N -0.181 115.521 115.700 0.003 0.000 2.727 366 S HA 0.033 4.559 4.470 0.094 0.000 0.226 366 S C 1.178 175.777 174.600 -0.002 0.000 0.963 366 S CA 1.200 59.393 58.200 -0.010 0.000 0.950 366 S CB -1.183 62.008 63.200 -0.015 0.000 0.779 366 S HN 1.089 nan 8.310 nan 0.000 0.532 367 E N 0.358 120.561 120.200 0.006 0.000 4.724 367 E HA -0.340 4.067 4.350 0.094 0.000 0.169 367 E C 1.337 177.943 176.600 0.011 0.000 1.223 367 E CA 1.730 58.135 56.400 0.008 0.000 2.386 367 E CB -1.432 28.270 29.700 0.004 0.000 1.790 367 E HN 0.646 nan 8.360 nan 0.000 0.449 368 E N 0.508 120.714 120.200 0.010 0.000 2.347 368 E HA -0.165 4.242 4.350 0.094 0.000 0.196 368 E C 0.777 177.388 176.600 0.018 0.000 1.008 368 E CA 1.593 58.002 56.400 0.014 0.000 0.852 368 E CB 0.024 29.734 29.700 0.016 0.000 0.783 368 E HN 0.360 nan 8.360 nan 0.000 0.505 369 D N 0.806 121.218 120.400 0.019 0.000 2.340 369 D HA 0.030 4.726 4.640 0.094 0.000 0.220 369 D C 1.845 178.160 176.300 0.024 0.000 1.039 369 D CA 0.081 54.095 54.000 0.024 0.000 0.866 369 D CB 0.463 41.279 40.800 0.026 0.000 0.913 369 D HN 0.039 nan 8.370 nan 0.000 0.523 370 V N 1.203 121.130 119.914 0.021 0.000 2.282 370 V HA -0.257 3.919 4.120 0.094 0.000 0.249 370 V C 1.905 178.013 176.094 0.023 0.000 1.057 370 V CA 1.764 64.077 62.300 0.022 0.000 1.032 370 V CB -0.254 31.581 31.823 0.019 0.000 0.645 370 V HN 0.147 nan 8.190 nan 0.000 0.447 371 D N -0.222 120.191 120.400 0.022 0.000 2.117 371 D HA -0.150 4.546 4.640 0.094 0.000 0.197 371 D C 2.264 178.578 176.300 0.024 0.000 0.987 371 D CA 1.214 55.227 54.000 0.022 0.000 0.829 371 D CB -0.218 40.594 40.800 0.019 0.000 0.961 371 D HN 0.373 nan 8.370 nan 0.000 0.460 372 K N 0.637 121.052 120.400 0.025 0.000 2.103 372 K HA -0.101 4.275 4.320 0.094 0.000 0.207 372 K C 2.034 178.652 176.600 0.031 0.000 1.048 372 K CA 1.313 57.617 56.287 0.028 0.000 0.930 372 K CB -0.095 32.423 32.500 0.030 0.000 0.716 372 K HN 0.043 nan 8.250 nan 0.000 0.444 373 A N 0.680 123.518 122.820 0.031 0.000 1.873 373 A HA -0.105 4.271 4.320 0.094 0.000 0.215 373 A C 2.067 179.672 177.584 0.035 0.000 1.186 373 A CA 1.201 53.258 52.037 0.033 0.000 0.616 373 A CB -0.550 18.468 19.000 0.030 0.000 0.823 373 A HN 0.173 nan 8.150 nan 0.000 0.442 374 L N -0.572 120.671 121.223 0.033 0.000 2.093 374 L HA -0.158 4.238 4.340 0.094 0.000 0.208 374 L C 2.600 179.496 176.870 0.043 0.000 1.085 374 L CA 1.807 56.669 54.840 0.038 0.000 0.755 374 L CB -0.406 41.673 42.059 0.032 0.000 0.904 374 L HN 0.479 nan 8.230 nan 0.000 0.435 375 K N 0.662 121.083 120.400 0.035 0.000 2.097 375 K HA -0.183 4.193 4.320 0.094 0.000 0.206 375 K C 2.110 178.730 176.600 0.033 0.000 1.049 375 K CA 1.361 57.666 56.287 0.031 0.000 0.933 375 K CB -0.057 32.458 32.500 0.025 0.000 0.717 375 K HN 0.257 nan 8.250 nan 0.000 0.442 376 A N 1.139 123.980 122.820 0.035 0.000 1.898 376 A HA -0.056 4.320 4.320 0.094 0.000 0.216 376 A C 2.088 179.700 177.584 0.047 0.000 1.181 376 A CA 1.052 53.107 52.037 0.031 0.000 0.620 376 A CB -0.469 18.549 19.000 0.031 0.000 0.819 376 A HN 0.311 nan 8.150 nan 0.000 0.442 377 L N -0.743 120.533 121.223 0.088 0.000 2.093 377 L HA -0.133 4.263 4.340 0.094 0.000 0.208 377 L C 2.624 179.622 176.870 0.214 0.000 1.085 377 L CA 1.587 56.542 54.840 0.192 0.000 0.755 377 L CB -0.343 41.814 42.059 0.162 0.000 0.904 377 L HN 0.391 nan 8.230 nan 0.000 0.435 378 K N 0.363 120.835 120.400 0.120 0.000 2.097 378 K HA -0.215 4.162 4.320 0.094 0.000 0.206 378 K C 2.330 178.969 176.600 0.066 0.000 1.049 378 K CA 1.222 57.568 56.287 0.098 0.000 0.933 378 K CB 0.005 32.542 32.500 0.062 0.000 0.717 378 K HN 0.142 nan 8.250 nan 0.000 0.442 379 R N 0.641 121.161 120.500 0.033 0.000 2.096 379 R HA -0.172 4.224 4.340 0.094 0.000 0.235 379 R C 1.974 178.242 176.300 -0.053 0.000 1.127 379 R CA 1.828 57.926 56.100 -0.004 0.000 0.968 379 R CB -0.029 30.266 30.300 -0.010 0.000 0.861 379 R HN 0.119 nan 8.270 nan 0.000 0.440 380 E N -0.604 119.533 120.200 -0.105 0.000 2.112 380 E HA -0.096 4.311 4.350 0.094 0.000 0.190 380 E C 1.064 177.388 176.600 -0.460 0.000 0.979 380 E CA 1.376 57.574 56.400 -0.336 0.000 0.814 380 E CB 0.003 29.390 29.700 -0.522 0.000 0.762 380 E HN 0.394 nan 8.360 nan 0.000 0.460 381 F N -1.004 118.943 119.950 -0.005 0.000 2.717 381 F HA 0.393 4.977 4.527 0.093 0.000 0.297 381 F C 1.568 177.368 175.800 0.000 0.000 1.113 381 F CA 0.266 58.264 58.000 -0.003 0.000 1.319 381 F CB 0.589 39.586 39.000 -0.004 0.000 1.097 381 F HN 0.233 nan 8.300 nan 0.000 0.595 382 G N 0.697 109.579 108.800 0.138 0.000 2.536 382 G HA2 -0.243 3.773 3.960 0.094 0.000 0.280 382 G HA3 -0.243 3.773 3.960 0.094 0.000 0.280 382 G C -0.579 174.373 174.900 0.087 0.000 1.152 382 G CA 0.282 45.432 45.100 0.084 0.000 0.970 382 G HN 0.212 nan 8.290 nan 0.000 0.549 390 L N 1.856 122.546 121.223 -0.887 0.000 2.395 390 L HA 0.072 4.468 4.340 0.094 0.000 0.218 390 L C 1.236 177.934 176.870 -0.287 0.000 1.130 390 L CA 0.641 55.065 54.840 -0.694 0.000 0.826 390 L CB -0.540 41.179 42.059 -0.566 0.000 0.941 390 L HN 0.323 nan 8.230 nan 0.000 0.451 391 N N 0.359 118.957 118.700 -0.171 0.000 2.381 391 N HA -0.109 4.688 4.740 0.094 0.000 0.241 391 N C 0.468 175.949 175.510 -0.048 0.000 1.279 391 N CA 0.006 53.013 53.050 -0.073 0.000 0.896 391 N CB 0.663 39.136 38.487 -0.024 0.000 1.118 391 N HN 0.019 nan 8.380 nan 0.000 0.438 392 N N 0.924 119.612 118.700 -0.021 0.000 2.373 392 N HA 0.010 4.806 4.740 0.094 0.000 0.181 392 N C -0.349 175.180 175.510 0.031 0.000 1.082 392 N CA 0.056 53.107 53.050 0.001 0.000 0.885 392 N CB -0.178 38.311 38.487 0.002 0.000 0.977 392 N HN 0.485 nan 8.380 nan 0.000 0.462 393 N N 0.728 119.448 118.700 0.035 0.000 2.407 393 N HA -0.070 4.726 4.740 0.094 0.000 0.250 393 N C 0.641 176.183 175.510 0.053 0.000 1.236 393 N CA 0.134 53.219 53.050 0.057 0.000 0.879 393 N CB 0.761 39.274 38.487 0.042 0.000 1.088 393 N HN 0.008 nan 8.380 nan 0.000 0.450 394 L N 3.160 124.426 121.223 0.071 0.000 2.388 394 L HA 0.356 4.752 4.340 0.094 0.000 0.209 394 L C 0.367 177.166 176.870 -0.119 0.000 1.061 394 L CA 0.523 55.378 54.840 0.025 0.000 0.834 394 L CB -0.151 41.994 42.059 0.144 0.000 1.029 394 L HN 0.511 nan 8.230 nan 0.000 0.473 395 I N -1.714 118.713 120.570 -0.238 0.000 2.562 395 I HA 0.290 4.516 4.170 0.094 0.000 0.301 395 I C 1.241 177.280 176.117 -0.129 0.000 1.003 395 I CA 0.122 61.231 61.300 -0.319 0.000 1.127 395 I CB 1.968 39.526 38.000 -0.737 0.000 1.304 395 I HN -0.038 nan 8.210 nan 0.000 0.446 396 R N 1.218 121.681 120.500 -0.062 0.000 2.191 396 R HA 0.250 4.647 4.340 0.094 0.000 0.196 396 R C -0.550 175.740 176.300 -0.017 0.000 0.991 396 R CA 0.320 56.409 56.100 -0.018 0.000 1.075 396 R CB 0.538 30.845 30.300 0.012 0.000 1.040 396 R HN 0.764 nan 8.270 nan 0.000 0.526 397 D N -1.818 118.598 120.400 0.028 0.000 2.808 397 D HA 0.164 4.860 4.640 0.094 0.000 0.294 397 D C -2.118 174.295 176.300 0.188 0.000 1.278 397 D CA -0.319 53.708 54.000 0.045 0.000 0.756 397 D CB 1.830 42.580 40.800 -0.085 0.000 1.271 397 D HN -0.142 nan 8.370 nan 0.000 0.425 398 V N 1.231 121.257 119.914 0.186 0.000 2.737 398 V HA 0.700 4.877 4.120 0.094 0.000 0.298 398 V C -1.379 174.828 176.094 0.188 0.000 1.163 398 V CA 0.220 62.642 62.300 0.204 0.000 0.925 398 V CB 1.441 33.301 31.823 0.061 0.000 1.037 398 V HN 0.777 nan 8.190 nan 0.000 0.433 399 S N 6.187 122.042 115.700 0.260 0.000 2.549 399 S HA 0.918 5.445 4.470 0.094 0.000 0.297 399 S C -0.429 174.224 174.600 0.089 0.000 1.115 399 S CA -0.216 58.092 58.200 0.180 0.000 1.059 399 S CB 1.749 65.108 63.200 0.266 0.000 1.046 399 S HN 1.957 nan 8.310 nan 0.000 0.506 400 V N -0.663 119.289 119.914 0.063 0.000 2.628 400 V HA 0.780 4.957 4.120 0.094 0.000 0.306 400 V C -1.216 174.900 176.094 0.037 0.000 1.045 400 V CA -0.696 61.628 62.300 0.039 0.000 0.905 400 V CB 1.724 33.566 31.823 0.030 0.000 0.997 400 V HN 0.941 nan 8.190 nan 0.000 0.436 401 D N 2.212 122.629 120.400 0.028 0.000 2.473 401 D HA 0.423 5.120 4.640 0.094 0.000 0.253 401 D C 0.273 176.585 176.300 0.020 0.000 1.233 401 D CA -0.480 53.535 54.000 0.026 0.000 0.908 401 D CB 2.299 43.115 40.800 0.027 0.000 1.170 401 D HN 0.667 nan 8.370 nan 0.000 0.558 402 K N 1.132 121.543 120.400 0.018 0.000 2.314 402 K HA 0.082 4.458 4.320 0.094 0.000 0.198 402 K C -0.044 176.564 176.600 0.013 0.000 1.045 402 K CA 0.245 56.540 56.287 0.015 0.000 0.988 402 K CB 0.575 33.083 32.500 0.014 0.000 0.783 402 K HN 0.255 nan 8.250 nan 0.000 0.484 403 D N 1.591 122.001 120.400 0.015 0.000 2.845 403 D HA 0.093 4.790 4.640 0.094 0.000 0.235 403 D C -0.917 175.393 176.300 0.017 0.000 1.158 403 D CA 0.295 54.303 54.000 0.015 0.000 0.990 403 D CB 0.397 41.206 40.800 0.015 0.000 1.094 403 D HN -0.175 nan 8.370 nan 0.000 0.486 404 V N 0.315 120.239 119.914 0.015 0.000 3.120 404 V HA 0.517 4.694 4.120 0.094 0.000 0.303 404 V C -0.804 175.296 176.094 0.010 0.000 1.238 404 V CA -0.756 61.554 62.300 0.017 0.000 1.008 404 V CB 2.558 34.392 31.823 0.019 0.000 1.064 404 V HN 0.604 nan 8.190 nan 0.000 0.434 405 C N 2.468 121.772 119.300 0.006 0.000 3.080 405 C HA 0.925 5.442 4.460 0.094 0.000 0.307 405 C C -0.805 174.161 174.990 -0.041 0.000 1.311 405 C CA -0.796 58.214 59.018 -0.013 0.000 1.533 405 C CB 1.085 28.816 27.740 -0.015 0.000 1.970 405 C HN 0.665 nan 8.230 nan 0.000 0.467 406 V N 2.055 121.927 119.914 -0.069 0.000 2.370 406 V HA 0.488 4.664 4.120 0.094 0.000 0.283 406 V C -0.287 175.661 176.094 -0.243 0.000 1.023 406 V CA -0.055 62.161 62.300 -0.140 0.000 0.857 406 V CB 1.058 32.848 31.823 -0.054 0.000 0.985 406 V HN 0.744 nan 8.190 nan 0.000 0.443 407 I N 3.799 124.060 120.570 -0.516 0.000 2.359 407 I HA 0.476 4.702 4.170 0.094 0.000 0.294 407 I C 0.389 176.053 176.117 -0.754 0.000 0.987 407 I CA 0.654 61.575 61.300 -0.631 0.000 1.225 407 I CB 1.902 39.446 38.000 -0.761 0.000 1.366 407 I HN 0.584 nan 8.210 nan 0.000 0.466 408 S N 4.355 119.797 115.700 -0.430 0.000 2.532 408 S HA 0.735 5.261 4.470 0.094 0.000 0.301 408 S C -0.799 173.686 174.600 -0.192 0.000 1.083 408 S CA -0.679 57.289 58.200 -0.386 0.000 1.025 408 S CB 2.243 65.168 63.200 -0.459 0.000 1.056 408 S HN 0.274 nan 8.310 nan 0.000 0.494 409 V N 2.809 122.633 119.914 -0.151 0.000 2.531 409 V HA 0.541 4.717 4.120 0.094 0.000 0.301 409 V C -0.901 175.126 176.094 -0.113 0.000 1.034 409 V CA -0.473 61.758 62.300 -0.114 0.000 0.865 409 V CB 1.857 33.602 31.823 -0.130 0.000 0.995 409 V HN 0.696 nan 8.190 nan 0.000 0.424 410 V N 3.760 123.625 119.914 -0.082 0.000 2.604 410 V HA 1.016 5.193 4.120 0.094 0.000 0.305 410 V C 0.334 176.391 176.094 -0.062 0.000 1.043 410 V CA -0.066 62.206 62.300 -0.046 0.000 0.888 410 V CB 1.786 33.618 31.823 0.015 0.000 0.995 410 V HN 1.065 nan 8.190 nan 0.000 0.429 411 G N 1.794 110.561 108.800 -0.055 0.000 2.596 411 G HA2 0.579 4.596 3.960 0.094 0.000 0.296 411 G HA3 0.579 4.596 3.960 0.094 0.000 0.296 411 G C 0.359 175.234 174.900 -0.041 0.000 1.513 411 G CA 0.212 45.279 45.100 -0.056 0.000 0.851 411 G HN 0.963 nan 8.290 nan 0.000 0.548 412 A N 0.307 123.108 122.820 -0.032 0.000 1.929 412 A HA 0.113 4.489 4.320 0.094 0.000 0.221 412 A C 2.122 179.693 177.584 -0.021 0.000 1.211 412 A CA 2.917 54.940 52.037 -0.023 0.000 0.657 412 A CB -0.566 18.420 19.000 -0.023 0.000 0.827 412 A HN 1.987 nan 8.150 nan 0.000 0.462 413 G N -2.557 106.227 108.800 -0.026 0.000 3.936 413 G HA2 0.373 4.389 3.960 0.094 0.000 0.296 413 G HA3 0.373 4.389 3.960 0.094 0.000 0.296 413 G C 0.747 175.631 174.900 -0.028 0.000 1.121 413 G CA 0.527 45.614 45.100 -0.022 0.000 0.899 413 G HN 0.303 nan 8.290 nan 0.000 0.542 414 M N 0.434 120.011 119.600 -0.037 0.000 2.082 414 M HA -0.044 4.493 4.480 0.094 0.000 0.258 414 M C 2.479 178.757 176.300 -0.036 0.000 1.071 414 M CA 1.669 56.938 55.300 -0.052 0.000 1.103 414 M CB -0.168 32.396 32.600 -0.059 0.000 1.307 414 M HN 0.266 nan 8.290 nan 0.000 0.409 415 R N -0.747 119.740 120.500 -0.020 0.000 2.091 415 R HA -0.129 4.268 4.340 0.094 0.000 0.238 415 R C 2.019 178.315 176.300 -0.007 0.000 1.136 415 R CA 1.728 57.823 56.100 -0.008 0.000 0.959 415 R CB -0.898 29.401 30.300 -0.000 0.000 0.856 415 R HN 0.613 nan 8.270 nan 0.000 0.437 416 G N -0.224 108.571 108.800 -0.008 0.000 2.572 416 G HA2 -0.011 4.006 3.960 0.094 0.000 0.216 416 G HA3 -0.011 4.006 3.960 0.094 0.000 0.216 416 G C 0.252 175.148 174.900 -0.007 0.000 1.133 416 G CA 0.378 45.475 45.100 -0.005 0.000 0.791 416 G HN 0.419 nan 8.290 nan 0.000 0.538 417 A N 0.675 123.487 122.820 -0.013 0.000 2.438 417 A HA 0.441 4.818 4.320 0.094 0.000 0.280 417 A C 0.510 178.089 177.584 -0.008 0.000 1.160 417 A CA -0.316 51.714 52.037 -0.013 0.000 0.821 417 A CB 0.034 19.020 19.000 -0.022 0.000 1.101 417 A HN 0.268 nan 8.150 nan 0.000 0.515 418 K N 2.011 122.409 120.400 -0.002 0.000 2.484 418 K HA 0.289 4.665 4.320 0.094 0.000 0.280 418 K C 1.334 177.937 176.600 0.004 0.000 1.013 418 K CA 1.357 57.645 56.287 0.002 0.000 1.029 418 K CB 0.034 32.536 32.500 0.004 0.000 0.902 418 K HN 1.416 nan 8.250 nan 0.000 0.481 419 G N 3.638 112.441 108.800 0.006 0.000 2.199 419 G HA2 -0.288 3.728 3.960 0.094 0.000 0.254 419 G HA3 -0.288 3.728 3.960 0.094 0.000 0.254 419 G C 0.606 175.510 174.900 0.006 0.000 0.982 419 G CA 0.319 45.425 45.100 0.009 0.000 0.632 419 G HN 0.643 nan 8.290 nan 0.000 0.529 420 I N 1.436 121.999 120.570 -0.011 0.000 2.439 420 I HA 0.369 4.595 4.170 0.094 0.000 0.251 420 I C 2.833 178.881 176.117 -0.115 0.000 1.139 420 I CA 2.253 63.534 61.300 -0.031 0.000 1.438 420 I CB -0.381 37.581 38.000 -0.063 0.000 1.085 420 I HN 0.422 nan 8.210 nan 0.000 0.427 421 A N 0.291 123.036 122.820 -0.126 0.000 1.865 421 A HA -0.118 4.258 4.320 0.094 0.000 0.217 421 A C 2.456 179.913 177.584 -0.213 0.000 1.191 421 A CA 1.783 53.676 52.037 -0.239 0.000 0.623 421 A CB -1.770 17.235 19.000 0.008 0.000 0.826 421 A HN 0.469 nan 8.150 nan 0.000 0.444 422 G N -0.438 108.355 108.800 -0.012 0.000 2.440 422 G HA2 -0.270 3.746 3.960 0.094 0.000 0.218 422 G HA3 -0.270 3.746 3.960 0.094 0.000 0.218 422 G C 1.694 176.599 174.900 0.008 0.000 1.154 422 G CA 1.259 46.385 45.100 0.043 0.000 0.767 422 G HN 0.591 nan 8.290 nan 0.000 0.552 423 K N -0.118 120.284 120.400 0.003 0.000 2.002 423 K HA 0.028 4.404 4.320 0.094 0.000 0.209 423 K C 2.476 179.124 176.600 0.080 0.000 1.048 423 K CA 1.086 57.404 56.287 0.052 0.000 0.930 423 K CB -0.281 32.304 32.500 0.141 0.000 0.714 423 K HN 0.322 nan 8.250 nan 0.000 0.438 424 I N 0.268 120.835 120.570 -0.006 0.000 2.163 424 I HA -0.305 3.921 4.170 0.094 0.000 0.243 424 I C 2.057 178.023 176.117 -0.252 0.000 1.085 424 I CA 1.673 62.876 61.300 -0.162 0.000 1.347 424 I CB -0.317 37.314 38.000 -0.615 0.000 1.044 424 I HN 0.105 nan 8.210 nan 0.000 0.408 425 F N 0.514 120.412 119.950 -0.086 0.000 2.206 425 F HA -0.178 4.405 4.527 0.093 0.000 0.298 425 F C 2.930 178.668 175.800 -0.105 0.000 1.090 425 F CA 1.229 59.128 58.000 -0.169 0.000 1.323 425 F CB -0.904 37.996 39.000 -0.167 0.000 1.028 425 F HN 0.155 nan 8.300 nan 0.000 0.492 426 T N -1.130 113.479 114.554 0.091 0.000 2.720 426 T HA -0.209 4.197 4.350 0.094 0.000 0.268 426 T C 2.126 176.839 174.700 0.021 0.000 1.037 426 T CA 1.028 63.153 62.100 0.042 0.000 1.144 426 T CB -0.845 68.034 68.868 0.018 0.000 0.864 426 T HN 0.224 nan 8.240 nan 0.000 0.444 427 A N 1.349 124.178 122.820 0.016 0.000 1.883 427 A HA -0.003 4.373 4.320 0.094 0.000 0.217 427 A C 2.695 180.302 177.584 0.039 0.000 1.186 427 A CA 1.920 53.968 52.037 0.018 0.000 0.624 427 A CB -1.273 17.755 19.000 0.047 0.000 0.822 427 A HN 0.436 nan 8.150 nan 0.000 0.444 428 V N -0.127 119.805 119.914 0.029 0.000 2.287 428 V HA -0.251 3.925 4.120 0.094 0.000 0.248 428 V C 2.870 178.980 176.094 0.026 0.000 1.053 428 V CA 2.429 64.741 62.300 0.018 0.000 1.027 428 V CB -0.977 30.771 31.823 -0.125 0.000 0.646 428 V HN 0.733 nan 8.190 nan 0.000 0.447 429 S N -0.117 115.592 115.700 0.016 0.000 2.359 429 S HA -0.285 4.241 4.470 0.094 0.000 0.224 429 S C 1.936 176.546 174.600 0.017 0.000 1.035 429 S CA 2.140 60.347 58.200 0.013 0.000 1.018 429 S CB -0.398 62.807 63.200 0.009 0.000 0.876 429 S HN 0.725 nan 8.310 nan 0.000 0.448 430 E N 0.728 120.938 120.200 0.016 0.000 2.265 430 E HA -0.087 4.319 4.350 0.094 0.000 0.196 430 E C 2.153 178.765 176.600 0.021 0.000 0.996 430 E CA 1.089 57.496 56.400 0.012 0.000 0.832 430 E CB -0.174 29.527 29.700 0.003 0.000 0.756 430 E HN 0.757 nan 8.360 nan 0.000 0.491 431 S N -0.759 114.961 115.700 0.034 0.000 2.522 431 S HA 0.044 4.570 4.470 0.094 0.000 0.227 431 S C 1.629 176.253 174.600 0.040 0.000 0.986 431 S CA 0.632 58.858 58.200 0.045 0.000 0.929 431 S CB 0.241 63.483 63.200 0.071 0.000 0.769 431 S HN 0.361 nan 8.310 nan 0.000 0.529 432 G N 0.203 109.023 108.800 0.033 0.000 2.157 432 G HA2 -0.013 4.003 3.960 0.094 0.000 0.239 432 G HA3 -0.013 4.003 3.960 0.094 0.000 0.239 432 G C 0.145 175.066 174.900 0.036 0.000 0.982 432 G CA -0.055 45.063 45.100 0.029 0.000 0.650 432 G HN 1.259 nan 8.290 nan 0.000 0.527 433 A N -0.414 122.435 122.820 0.047 0.000 2.293 433 A HA 0.761 5.137 4.320 0.094 0.000 0.302 433 A C 0.035 177.643 177.584 0.039 0.000 1.119 433 A CA -0.179 51.894 52.037 0.060 0.000 0.823 433 A CB 0.848 19.911 19.000 0.104 0.000 1.097 433 A HN 0.510 nan 8.150 nan 0.000 0.491 434 N N 1.003 119.727 118.700 0.039 0.000 2.417 434 N HA 0.430 5.227 4.740 0.094 0.000 0.274 434 N C -0.952 174.572 175.510 0.023 0.000 0.987 434 N CA -0.348 52.713 53.050 0.018 0.000 0.912 434 N CB 0.600 39.096 38.487 0.016 0.000 1.177 434 N HN 0.518 nan 8.380 nan 0.000 0.490 435 I N 3.571 124.131 120.570 -0.016 0.000 2.396 435 I HA 0.102 4.328 4.170 0.094 0.000 0.289 435 I C 1.245 177.349 176.117 -0.022 0.000 1.056 435 I CA -0.084 61.205 61.300 -0.019 0.000 1.365 435 I CB 0.954 38.862 38.000 -0.155 0.000 1.407 435 I HN 0.469 nan 8.210 nan 0.000 0.509 436 K N 5.696 126.108 120.400 0.020 0.000 2.352 436 K HA 0.318 4.694 4.320 0.094 0.000 0.194 436 K C 0.202 176.799 176.600 -0.005 0.000 1.038 436 K CA 0.534 56.825 56.287 0.007 0.000 1.023 436 K CB 0.753 33.266 32.500 0.023 0.000 0.840 436 K HN 0.585 nan 8.250 nan 0.000 0.519 437 M N 0.917 120.523 119.600 0.009 0.000 2.426 437 M HA 0.346 4.882 4.480 0.094 0.000 0.289 437 M C -2.121 174.196 176.300 0.029 0.000 1.168 437 M CA -0.465 54.839 55.300 0.006 0.000 0.933 437 M CB 1.933 34.547 32.600 0.023 0.000 1.750 437 M HN -0.127 nan 8.290 nan 0.000 0.494 438 I N 2.963 123.530 120.570 -0.005 0.000 2.498 438 I HA 0.730 4.956 4.170 0.094 0.000 0.290 438 I C -0.580 175.575 176.117 0.062 0.000 1.032 438 I CA -0.813 60.505 61.300 0.031 0.000 1.073 438 I CB 2.183 40.107 38.000 -0.126 0.000 1.251 438 I HN 0.767 nan 8.210 nan 0.000 0.426 439 A N 6.275 129.156 122.820 0.102 0.000 2.304 439 A HA 0.743 5.119 4.320 0.094 0.000 0.314 439 A C -0.853 176.786 177.584 0.093 0.000 1.187 439 A CA -0.427 51.658 52.037 0.079 0.000 0.810 439 A CB 1.496 20.535 19.000 0.064 0.000 1.183 439 A HN 0.647 nan 8.150 nan 0.000 0.487 440 Q N 1.465 121.315 119.800 0.084 0.000 2.353 440 Q HA 0.543 4.939 4.340 0.094 0.000 0.275 440 Q C 0.171 176.204 176.000 0.054 0.000 1.029 440 Q CA 0.379 56.228 55.803 0.077 0.000 0.848 440 Q CB 1.848 30.653 28.738 0.112 0.000 1.390 440 Q HN 1.789 nan 8.270 nan 0.000 0.401 441 G N 1.713 110.537 108.800 0.040 0.000 2.699 441 G HA2 -0.261 3.755 3.960 0.094 0.000 0.198 441 G HA3 -0.261 3.755 3.960 0.094 0.000 0.198 441 G C 0.598 175.512 174.900 0.024 0.000 1.033 441 G CA 0.612 45.730 45.100 0.030 0.000 0.728 441 G HN 0.898 nan 8.290 nan 0.000 0.484 442 S N -0.352 115.366 115.700 0.029 0.000 2.558 442 S HA 0.546 5.072 4.470 0.094 0.000 0.217 442 S C 0.846 175.459 174.600 0.021 0.000 0.975 442 S CA 1.233 59.446 58.200 0.022 0.000 0.912 442 S CB 0.484 63.700 63.200 0.027 0.000 0.776 442 S HN 1.417 nan 8.310 nan 0.000 0.526 443 S N 0.243 115.961 115.700 0.029 0.000 2.500 443 S HA 0.376 4.902 4.470 0.094 0.000 0.301 443 S C 0.463 175.072 174.600 0.015 0.000 1.092 443 S CA -0.671 57.545 58.200 0.027 0.000 1.030 443 S CB 1.787 65.021 63.200 0.056 0.000 1.031 443 S HN 0.361 nan 8.310 nan 0.000 0.483 444 E N 2.234 122.440 120.200 0.010 0.000 2.150 444 E HA -0.095 4.311 4.350 0.094 0.000 0.193 444 E C 1.207 177.807 176.600 -0.000 0.000 0.985 444 E CA 1.790 58.192 56.400 0.004 0.000 0.814 444 E CB 0.129 29.832 29.700 0.004 0.000 0.752 444 E HN 0.640 nan 8.360 nan 0.000 0.466 445 V N -1.655 118.262 119.914 0.005 0.000 3.346 445 V HA 0.342 4.519 4.120 0.094 0.000 0.309 445 V C -0.224 175.864 176.094 -0.009 0.000 1.457 445 V CA -0.409 61.889 62.300 -0.003 0.000 1.069 445 V CB 0.091 31.917 31.823 0.006 0.000 0.944 445 V HN 0.051 nan 8.190 nan 0.000 0.449 446 N N 0.204 118.903 118.700 -0.003 0.000 2.249 446 N HA 0.686 5.483 4.740 0.094 0.000 0.296 446 N C -1.448 174.031 175.510 -0.051 0.000 1.051 446 N CA -0.588 52.447 53.050 -0.026 0.000 0.815 446 N CB 2.266 40.772 38.487 0.032 0.000 1.487 446 N HN 0.290 nan 8.380 nan 0.000 0.475 447 I N 1.867 122.385 120.570 -0.087 0.000 2.447 447 I HA 0.364 4.590 4.170 0.094 0.000 0.287 447 I C -0.637 175.435 176.117 -0.074 0.000 1.023 447 I CA -0.563 60.718 61.300 -0.032 0.000 1.083 447 I CB 1.916 39.916 38.000 -0.000 0.000 1.245 447 I HN 0.456 nan 8.210 nan 0.000 0.434 448 S N 5.986 121.629 115.700 -0.095 0.000 2.532 448 S HA 0.832 5.358 4.470 0.094 0.000 0.301 448 S C -0.771 173.876 174.600 0.078 0.000 1.083 448 S CA -0.584 57.476 58.200 -0.233 0.000 1.025 448 S CB 1.772 64.649 63.200 -0.537 0.000 1.056 448 S HN 0.483 nan 8.310 nan 0.000 0.494 449 F N -1.186 118.754 119.950 -0.016 0.000 2.685 449 F HA 0.861 5.445 4.527 0.095 0.000 0.315 449 F C -1.523 174.282 175.800 0.009 0.000 1.126 449 F CA -1.285 56.732 58.000 0.028 0.000 0.950 449 F CB 0.745 39.820 39.000 0.126 0.000 1.360 449 F HN 0.269 nan 8.300 nan 0.000 0.469 450 V N 2.896 122.935 119.914 0.208 0.000 2.495 450 V HA 0.692 4.869 4.120 0.094 0.000 0.298 450 V C -0.065 176.135 176.094 0.178 0.000 1.031 450 V CA -0.602 61.759 62.300 0.102 0.000 0.871 450 V CB 1.452 33.307 31.823 0.054 0.000 0.988 450 V HN 0.879 nan 8.190 nan 0.000 0.432 451 I N -0.418 120.235 120.570 0.138 0.000 3.239 451 I HA 0.690 4.917 4.170 0.094 0.000 0.314 451 I C -0.578 175.583 176.117 0.074 0.000 1.126 451 I CA -1.027 60.352 61.300 0.133 0.000 0.973 451 I CB 2.029 40.147 38.000 0.196 0.000 1.252 451 I HN 0.335 nan 8.210 nan 0.000 0.463 452 D N 2.002 122.440 120.400 0.063 0.000 2.443 452 D HA -0.009 4.688 4.640 0.094 0.000 0.239 452 D C 0.655 176.978 176.300 0.039 0.000 1.136 452 D CA 0.515 54.541 54.000 0.043 0.000 0.879 452 D CB 1.618 42.441 40.800 0.038 0.000 1.195 452 D HN 0.723 nan 8.370 nan 0.000 0.443 453 E N 1.750 121.966 120.200 0.027 0.000 2.118 453 E HA -0.236 4.170 4.350 0.094 0.000 0.195 453 E C 1.844 178.457 176.600 0.022 0.000 0.992 453 E CA 1.279 57.691 56.400 0.021 0.000 0.804 453 E CB 0.177 29.886 29.700 0.014 0.000 0.741 453 E HN 0.445 nan 8.360 nan 0.000 0.458 454 K N -0.071 120.343 120.400 0.023 0.000 2.209 454 K HA -0.144 4.232 4.320 0.094 0.000 0.204 454 K C 0.793 177.411 176.600 0.029 0.000 1.048 454 K CA 1.650 57.951 56.287 0.022 0.000 0.940 454 K CB 0.150 32.662 32.500 0.020 0.000 0.729 454 K HN 0.037 nan 8.250 nan 0.000 0.451 455 D N 1.063 121.487 120.400 0.039 0.000 2.339 455 D HA 0.019 4.716 4.640 0.094 0.000 0.217 455 D C 1.615 177.952 176.300 0.061 0.000 1.050 455 D CA -0.001 54.030 54.000 0.051 0.000 0.856 455 D CB 0.254 41.092 40.800 0.064 0.000 0.922 455 D HN 0.205 nan 8.370 nan 0.000 0.518 456 L N 0.395 121.647 121.223 0.047 0.000 1.956 456 L HA -0.221 4.175 4.340 0.094 0.000 0.216 456 L C 2.271 179.168 176.870 0.044 0.000 1.073 456 L CA 1.343 56.209 54.840 0.043 0.000 0.762 456 L CB -0.214 41.857 42.059 0.020 0.000 0.889 456 L HN -0.002 nan 8.230 nan 0.000 0.433 457 L N 0.023 121.264 121.223 0.030 0.000 1.990 457 L HA -0.320 4.076 4.340 0.094 0.000 0.213 457 L C 2.455 179.348 176.870 0.038 0.000 1.072 457 L CA 1.812 56.667 54.840 0.024 0.000 0.755 457 L CB -0.721 41.345 42.059 0.012 0.000 0.889 457 L HN 0.437 nan 8.230 nan 0.000 0.432 458 N N -0.993 117.733 118.700 0.043 0.000 2.104 458 N HA -0.224 4.573 4.740 0.094 0.000 0.190 458 N C 1.841 177.395 175.510 0.073 0.000 1.024 458 N CA 1.620 54.699 53.050 0.050 0.000 0.853 458 N CB -0.913 37.601 38.487 0.044 0.000 1.008 458 N HN 0.442 nan 8.380 nan 0.000 0.424 459 C N 0.473 119.829 119.300 0.094 0.000 2.432 459 C HA -0.010 4.506 4.460 0.094 0.000 0.277 459 C C 2.730 177.812 174.990 0.154 0.000 1.249 459 C CA 0.488 59.590 59.018 0.140 0.000 1.725 459 C CB -0.953 26.902 27.740 0.193 0.000 2.028 459 C HN 0.220 nan 8.230 nan 0.000 0.477 460 V N 1.396 121.385 119.914 0.124 0.000 2.287 460 V HA -0.233 3.943 4.120 0.094 0.000 0.248 460 V C 2.704 178.881 176.094 0.138 0.000 1.053 460 V CA 2.388 64.761 62.300 0.122 0.000 1.027 460 V CB -0.857 31.006 31.823 0.067 0.000 0.646 460 V HN 0.519 nan 8.190 nan 0.000 0.447 461 R N 0.051 120.609 120.500 0.097 0.000 2.080 461 R HA -0.248 4.149 4.340 0.094 0.000 0.236 461 R C 2.447 178.827 176.300 0.134 0.000 1.137 461 R CA 2.012 58.171 56.100 0.097 0.000 0.943 461 R CB -0.425 29.909 30.300 0.056 0.000 0.846 461 R HN 0.336 nan 8.270 nan 0.000 0.431 462 K N 0.710 121.177 120.400 0.111 0.000 2.032 462 K HA -0.141 4.235 4.320 0.094 0.000 0.209 462 K C 1.880 178.553 176.600 0.122 0.000 1.048 462 K CA 1.177 57.520 56.287 0.093 0.000 0.927 462 K CB -0.372 32.173 32.500 0.074 0.000 0.712 462 K HN -0.038 nan 8.250 nan 0.000 0.441 463 L N 0.846 122.185 121.223 0.194 0.000 2.012 463 L HA -0.209 4.188 4.340 0.094 0.000 0.210 463 L C 2.481 179.542 176.870 0.319 0.000 1.073 463 L CA 1.960 56.982 54.840 0.303 0.000 0.748 463 L CB -1.095 41.145 42.059 0.301 0.000 0.891 463 L HN 0.479 nan 8.230 nan 0.000 0.431 464 H N -0.224 118.942 119.070 0.159 0.000 2.321 464 H HA -0.144 4.470 4.556 0.095 0.000 0.300 464 H C 2.070 177.454 175.328 0.094 0.000 1.087 464 H CA 1.889 58.015 56.048 0.129 0.000 1.319 464 H CB 0.403 30.219 29.762 0.089 0.000 1.379 464 H HN 0.458 nan 8.280 nan 0.000 0.501 465 E N 0.510 120.800 120.200 0.150 0.000 2.049 465 E HA -0.191 4.216 4.350 0.094 0.000 0.198 465 E C 2.416 178.984 176.600 -0.053 0.000 1.007 465 E CA 0.965 57.395 56.400 0.050 0.000 0.809 465 E CB -0.002 29.724 29.700 0.044 0.000 0.749 465 E HN 0.329 nan 8.360 nan 0.000 0.450 466 K N -0.166 120.163 120.400 -0.118 0.000 2.057 466 K HA -0.119 4.258 4.320 0.094 0.000 0.206 466 K C 1.754 178.089 176.600 -0.440 0.000 1.050 466 K CA 1.178 57.258 56.287 -0.345 0.000 0.935 466 K CB 0.036 32.194 32.500 -0.571 0.000 0.715 466 K HN 0.047 nan 8.250 nan 0.000 0.439 467 F N -0.592 119.316 119.950 -0.070 0.000 2.582 467 F HA 0.148 4.731 4.527 0.093 0.000 0.290 467 F C 1.779 177.504 175.800 -0.125 0.000 1.115 467 F CA 0.205 58.153 58.000 -0.086 0.000 1.445 467 F CB 0.232 39.188 39.000 -0.074 0.000 1.126 467 F HN -0.086 nan 8.300 nan 0.000 0.574 468 I N -0.922 119.616 120.570 -0.053 0.000 3.194 468 I HA 0.002 4.228 4.170 0.094 0.000 0.271 468 I C 1.832 177.872 176.117 -0.129 0.000 1.150 468 I CA 0.648 61.844 61.300 -0.174 0.000 1.440 468 I CB -0.007 37.684 38.000 -0.515 0.000 1.276 468 I HN -0.082 nan 8.210 nan 0.000 0.457 469 E N 0.859 120.989 120.200 -0.117 0.000 2.075 469 E HA 0.064 4.471 4.350 0.094 0.000 0.190 469 E C -0.075 176.507 176.600 -0.031 0.000 0.969 469 E CA 0.211 56.590 56.400 -0.035 0.000 0.815 469 E CB 0.185 29.898 29.700 0.022 0.000 0.776 469 E HN 0.180 nan 8.360 nan 0.000 0.457 470 K N 0.000 120.370 120.400 -0.050 0.000 2.780 470 K HA 0.000 4.376 4.320 0.094 0.000 0.191 470 K CA 0.000 56.253 56.287 -0.057 0.000 0.838 470 K CB 0.000 32.468 32.500 -0.053 0.000 1.064 470 K HN 0.000 nan 8.250 nan 0.000 0.543