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 2oek_1_B DATA FIRST_RESID 2 DATA SEQUENCE SAVMATYLLH DETDIRKKAE GIALGLTIGT WTDLPALEQE QLRKHKGEVV DATA SEQUENCE AIEELGESER VNAYFGKRLK RAIVKIAYPT VNFSADLPAL LVTTFGKLSL DATA SEQUENCE DGEVRLLDLE FPDEWKRQFP GPRFGIDGIR DRVGVHNRPL LMSIFKGMIG DATA SEQUENCE RDLAYLTSEL KKQALGGVDL VXDDEILFDS ELLPFEKRIT EGKAALQEVY DATA SEQUENCE EQTGKRTLYA VNLTGKTFAL KDKAKRAAEL GADVLLFNVF AYGLDVLQAL DATA SEQUENCE REDEEIAVPI MAHPAFSGAV TPSEFYGVAP SLWLGKLLRL AGADFVLFPS DATA SEQUENCE PYGSVALERE QALGIARALT DDQEPFARAF PVPSAGIHPG LVPLIIRDFG DATA SEQUENCE LDTIVNAGGG IHGHPDGAIG GGRAFRAAID AVLAGRPLRA AAAENEALQK DATA SEQUENCE AIDRWGVVEV EA 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.598 174.600 -0.004 0.000 1.055 2 S CA 0.000 58.210 58.200 0.016 0.000 1.107 2 S CB 0.000 63.222 63.200 0.037 0.000 0.593 3 A N 3.597 126.422 122.820 0.008 0.000 2.549 3 A HA 0.807 5.124 4.320 -0.005 0.000 0.297 3 A C -1.043 176.561 177.584 0.033 0.000 1.061 3 A CA -0.616 51.432 52.037 0.020 0.000 0.690 3 A CB 1.803 20.814 19.000 0.018 0.000 1.287 3 A HN 0.969 nan 8.150 nan 0.000 0.402 4 V N 2.766 122.730 119.914 0.084 0.000 2.461 4 V HA 0.364 4.481 4.120 -0.005 0.000 0.275 4 V C 0.329 176.479 176.094 0.094 0.000 1.047 4 V CA -0.004 62.337 62.300 0.069 0.000 0.955 4 V CB 1.193 33.063 31.823 0.078 0.000 0.988 4 V HN 0.888 nan 8.190 nan 0.000 0.471 5 M N 5.683 125.271 119.600 -0.019 0.000 2.080 5 M HA 0.659 5.136 4.480 -0.005 0.000 0.350 5 M C -0.056 176.180 176.300 -0.106 0.000 1.173 5 M CA -0.350 54.925 55.300 -0.043 0.000 1.052 5 M CB 0.832 33.383 32.600 -0.083 0.000 1.577 5 M HN 0.718 nan 8.290 nan 0.000 0.455 6 A N 3.867 126.652 122.820 -0.059 0.000 2.301 6 A HA 0.706 5.023 4.320 -0.005 0.000 0.312 6 A C -0.490 176.814 177.584 -0.467 0.000 1.182 6 A CA -0.473 51.384 52.037 -0.300 0.000 0.826 6 A CB 0.803 19.645 19.000 -0.263 0.000 1.134 6 A HN 0.763 nan 8.150 nan 0.000 0.501 7 T N 2.494 116.714 114.554 -0.556 0.000 2.779 7 T HA 0.588 4.935 4.350 -0.005 0.000 0.280 7 T C -1.195 173.210 174.700 -0.491 0.000 0.987 7 T CA 0.223 62.090 62.100 -0.387 0.000 0.966 7 T CB 0.189 68.919 68.868 -0.230 0.000 0.933 7 T HN 0.442 nan 8.240 nan 0.000 0.442 8 Y N 1.498 121.770 120.300 -0.047 0.000 2.562 8 Y HA 0.710 5.257 4.550 -0.006 0.000 0.343 8 Y C -0.387 175.492 175.900 -0.034 0.000 1.025 8 Y CA -1.553 56.521 58.100 -0.043 0.000 1.082 8 Y CB 1.318 39.786 38.460 0.014 0.000 1.264 8 Y HN 0.421 nan 8.280 nan 0.000 0.478 9 L N 2.914 124.233 121.223 0.160 0.000 2.305 9 L HA 0.670 5.007 4.340 -0.005 0.000 0.284 9 L C -1.861 175.072 176.870 0.105 0.000 1.013 9 L CA -0.548 54.337 54.840 0.076 0.000 0.819 9 L CB 0.615 42.712 42.059 0.063 0.000 1.227 9 L HN 0.508 nan 8.230 nan 0.000 0.417 10 L N 5.031 126.258 121.223 0.006 0.000 2.342 10 L HA 0.589 4.926 4.340 -0.005 0.000 0.271 10 L C -0.919 175.866 176.870 -0.141 0.000 1.008 10 L CA -0.361 54.489 54.840 0.017 0.000 0.818 10 L CB 1.919 43.979 42.059 0.001 0.000 1.296 10 L HN 0.580 nan 8.230 nan 0.000 0.427 11 H N 0.572 119.620 119.070 -0.037 0.000 2.589 11 H HA 0.727 5.281 4.556 -0.004 0.000 0.351 11 H C -1.361 173.875 175.328 -0.154 0.000 1.074 11 H CA -0.650 55.337 56.048 -0.102 0.000 1.203 11 H CB 1.779 31.434 29.762 -0.178 0.000 1.558 11 H HN 0.535 nan 8.280 nan 0.000 0.522 12 D N 0.348 120.717 120.400 -0.052 0.000 2.706 12 D HA 0.136 4.773 4.640 -0.005 0.000 0.225 12 D C 0.223 176.476 176.300 -0.077 0.000 1.241 12 D CA -0.479 53.474 54.000 -0.079 0.000 0.784 12 D CB 1.688 42.457 40.800 -0.052 0.000 1.521 12 D HN 0.595 nan 8.370 nan 0.000 0.461 13 E N -0.192 119.960 120.200 -0.081 0.000 2.158 13 E HA 0.038 4.385 4.350 -0.005 0.000 0.191 13 E C 0.761 177.335 176.600 -0.043 0.000 0.982 13 E CA 0.686 57.049 56.400 -0.061 0.000 0.823 13 E CB 0.175 29.839 29.700 -0.059 0.000 0.766 13 E HN 0.581 nan 8.360 nan 0.000 0.468 14 T N -0.980 113.550 114.554 -0.041 0.000 2.862 14 T HA 0.146 4.493 4.350 -0.005 0.000 0.276 14 T C -0.042 174.641 174.700 -0.030 0.000 0.974 14 T CA -0.944 61.138 62.100 -0.031 0.000 0.966 14 T CB 1.335 70.187 68.868 -0.027 0.000 1.072 14 T HN -0.203 nan 8.240 nan 0.000 0.538 15 D N 0.248 120.634 120.400 -0.024 0.000 2.520 15 D HA 0.005 4.642 4.640 -0.005 0.000 0.243 15 D C 1.196 177.481 176.300 -0.025 0.000 1.160 15 D CA -0.220 53.767 54.000 -0.023 0.000 0.877 15 D CB 0.132 40.921 40.800 -0.018 0.000 1.150 15 D HN 0.383 nan 8.370 nan 0.000 0.494 16 I N 3.986 124.539 120.570 -0.028 0.000 2.252 16 I HA -0.171 3.996 4.170 -0.005 0.000 0.245 16 I C 2.325 178.427 176.117 -0.025 0.000 1.102 16 I CA 1.123 62.405 61.300 -0.029 0.000 1.385 16 I CB -0.945 37.035 38.000 -0.033 0.000 1.064 16 I HN 0.634 nan 8.210 nan 0.000 0.414 17 R N 1.490 121.976 120.500 -0.023 0.000 2.091 17 R HA -0.226 4.112 4.340 -0.005 0.000 0.238 17 R C 2.358 178.646 176.300 -0.021 0.000 1.136 17 R CA 1.854 57.941 56.100 -0.021 0.000 0.959 17 R CB -0.163 30.125 30.300 -0.019 0.000 0.856 17 R HN 0.251 nan 8.270 nan 0.000 0.437 18 K N 0.749 121.138 120.400 -0.018 0.000 2.057 18 K HA -0.219 4.098 4.320 -0.005 0.000 0.207 18 K C 2.110 178.699 176.600 -0.018 0.000 1.049 18 K CA 1.865 58.143 56.287 -0.015 0.000 0.931 18 K CB -0.082 32.411 32.500 -0.012 0.000 0.714 18 K HN 0.078 nan 8.250 nan 0.000 0.440 19 K N 0.046 120.433 120.400 -0.022 0.000 2.057 19 K HA -0.118 4.199 4.320 -0.005 0.000 0.207 19 K C 1.964 178.546 176.600 -0.031 0.000 1.049 19 K CA 1.201 57.472 56.287 -0.026 0.000 0.931 19 K CB -0.180 32.302 32.500 -0.030 0.000 0.714 19 K HN 0.242 nan 8.250 nan 0.000 0.440 20 A N 1.540 124.341 122.820 -0.031 0.000 1.877 20 A HA -0.176 4.141 4.320 -0.005 0.000 0.216 20 A C 1.935 179.496 177.584 -0.038 0.000 1.186 20 A CA 1.640 53.657 52.037 -0.034 0.000 0.620 20 A CB -0.506 18.480 19.000 -0.024 0.000 0.822 20 A HN 0.351 nan 8.150 nan 0.000 0.443 21 E N -0.416 119.764 120.200 -0.034 0.000 2.077 21 E HA -0.148 4.199 4.350 -0.005 0.000 0.193 21 E C 2.182 178.766 176.600 -0.028 0.000 0.989 21 E CA 1.189 57.567 56.400 -0.037 0.000 0.800 21 E CB -0.792 28.891 29.700 -0.028 0.000 0.746 21 E HN 0.590 nan 8.360 nan 0.000 0.452 22 G N 1.245 110.035 108.800 -0.017 0.000 2.442 22 G HA2 -0.222 3.735 3.960 -0.005 0.000 0.219 22 G HA3 -0.222 3.735 3.960 -0.005 0.000 0.219 22 G C 1.757 176.656 174.900 -0.002 0.000 1.141 22 G CA 0.637 45.733 45.100 -0.006 0.000 0.763 22 G HN 0.191 nan 8.290 nan 0.000 0.554 23 I N 1.202 121.764 120.570 -0.012 0.000 2.202 23 I HA -0.110 4.057 4.170 -0.005 0.000 0.242 23 I C 3.303 179.433 176.117 0.022 0.000 1.091 23 I CA 0.890 62.193 61.300 0.005 0.000 1.368 23 I CB -0.260 37.725 38.000 -0.026 0.000 1.058 23 I HN 0.231 nan 8.210 nan 0.000 0.410 24 A N 0.651 123.447 122.820 -0.041 0.000 1.908 24 A HA -0.238 4.079 4.320 -0.005 0.000 0.218 24 A C 2.241 179.798 177.584 -0.045 0.000 1.181 24 A CA 1.866 53.842 52.037 -0.103 0.000 0.627 24 A CB -0.744 18.171 19.000 -0.142 0.000 0.818 24 A HN 0.402 nan 8.150 nan 0.000 0.445 25 L N -0.584 120.626 121.223 -0.022 0.000 2.084 25 L HA 0.189 4.526 4.340 -0.005 0.000 0.202 25 L C 2.441 179.341 176.870 0.051 0.000 1.074 25 L CA 2.161 57.004 54.840 0.006 0.000 0.757 25 L CB -1.106 40.960 42.059 0.013 0.000 0.918 25 L HN 0.269 nan 8.230 nan 0.000 0.444 26 G N -0.218 108.612 108.800 0.050 0.000 2.442 26 G HA2 -0.211 3.746 3.960 -0.005 0.000 0.219 26 G HA3 -0.211 3.746 3.960 -0.005 0.000 0.219 26 G C 1.426 176.376 174.900 0.084 0.000 1.141 26 G CA 1.001 46.136 45.100 0.059 0.000 0.763 26 G HN 0.393 nan 8.290 nan 0.000 0.554 27 L N 1.200 122.495 121.223 0.121 0.000 2.629 27 L HA 0.198 4.535 4.340 -0.005 0.000 0.230 27 L C 2.064 179.066 176.870 0.221 0.000 1.151 27 L CA 0.607 55.553 54.840 0.176 0.000 0.924 27 L CB -0.064 42.154 42.059 0.265 0.000 1.137 27 L HN 0.458 nan 8.230 nan 0.000 0.457 28 T N -3.290 111.366 114.554 0.171 0.000 2.614 28 T HA 0.149 4.496 4.350 -0.005 0.000 0.163 28 T C 1.373 176.153 174.700 0.132 0.000 0.806 28 T CA 0.067 62.274 62.100 0.178 0.000 1.020 28 T CB -0.338 68.624 68.868 0.157 0.000 2.539 28 T HN 0.083 nan 8.240 nan 0.000 0.380 29 I N -0.643 120.000 120.570 0.122 0.000 3.251 29 I HA 0.521 4.688 4.170 -0.005 0.000 0.277 29 I C 2.075 178.263 176.117 0.119 0.000 1.268 29 I CA 0.613 61.990 61.300 0.128 0.000 1.449 29 I CB -0.806 37.306 38.000 0.187 0.000 1.083 29 I HN 0.829 nan 8.210 nan 0.000 0.464 30 G N 1.962 110.825 108.800 0.105 0.000 3.078 30 G HA2 -0.345 3.612 3.960 -0.005 0.000 0.227 30 G HA3 -0.345 3.612 3.960 -0.005 0.000 0.227 30 G C 0.554 175.519 174.900 0.108 0.000 1.306 30 G CA 0.751 45.906 45.100 0.092 0.000 0.841 30 G HN 0.808 nan 8.290 nan 0.000 0.530 31 T N -4.125 110.514 114.554 0.141 0.000 2.900 31 T HA 0.654 5.001 4.350 -0.005 0.000 0.295 31 T C 0.039 174.906 174.700 0.279 0.000 1.044 31 T CA 0.262 62.457 62.100 0.158 0.000 0.995 31 T CB 2.707 71.632 68.868 0.096 0.000 1.072 31 T HN 1.030 nan 8.240 nan 0.000 0.473 32 W N 1.408 122.721 121.300 0.021 0.000 5.371 32 W HA -0.059 4.599 4.660 -0.004 0.000 0.169 32 W C 1.852 178.381 176.519 0.017 0.000 1.184 32 W CA 0.626 57.984 57.345 0.022 0.000 1.946 32 W CB -0.379 29.095 29.460 0.022 0.000 0.602 32 W HN 0.840 nan 8.180 nan 0.000 1.086 33 T N -0.542 114.063 114.554 0.085 0.000 2.759 33 T HA -0.208 4.139 4.350 -0.005 0.000 0.269 33 T C 0.911 175.543 174.700 -0.113 0.000 1.042 33 T CA 1.978 64.053 62.100 -0.042 0.000 1.140 33 T CB -0.737 68.173 68.868 0.070 0.000 0.864 33 T HN -0.030 nan 8.240 nan 0.000 0.455 34 D N 1.141 121.502 120.400 -0.066 0.000 2.328 34 D HA 0.235 4.872 4.640 -0.005 0.000 0.226 34 D C 0.346 176.585 176.300 -0.100 0.000 1.066 34 D CA 0.087 54.048 54.000 -0.066 0.000 0.861 34 D CB -0.041 40.745 40.800 -0.024 0.000 0.912 34 D HN 0.474 nan 8.370 nan 0.000 0.521 35 L N 2.501 123.619 121.223 -0.176 0.000 2.334 35 L HA 0.292 4.629 4.340 -0.005 0.000 0.277 35 L C -1.967 174.772 176.870 -0.218 0.000 1.075 35 L CA -1.831 52.896 54.840 -0.189 0.000 0.804 35 L CB 0.839 42.757 42.059 -0.235 0.000 1.174 35 L HN -0.256 nan 8.230 nan 0.000 0.438 36 P HA 0.027 nan 4.420 nan 0.000 0.271 36 P C 0.341 177.548 177.300 -0.155 0.000 1.218 36 P CA -0.227 62.797 63.100 -0.127 0.000 0.780 36 P CB 1.178 32.831 31.700 -0.078 0.000 0.901 37 A N 3.295 126.033 122.820 -0.136 0.000 1.954 37 A HA -0.259 4.058 4.320 -0.005 0.000 0.222 37 A C 2.014 179.542 177.584 -0.093 0.000 1.199 37 A CA 2.144 54.107 52.037 -0.124 0.000 0.657 37 A CB -1.498 17.457 19.000 -0.075 0.000 0.823 37 A HN 0.496 nan 8.150 nan 0.000 0.463 38 L N -0.538 120.646 121.223 -0.065 0.000 2.046 38 L HA -0.165 4.173 4.340 -0.005 0.000 0.208 38 L C 2.424 179.276 176.870 -0.030 0.000 1.077 38 L CA 2.149 56.968 54.840 -0.035 0.000 0.747 38 L CB -0.768 41.277 42.059 -0.023 0.000 0.896 38 L HN 0.465 nan 8.230 nan 0.000 0.432 39 E N -0.690 119.477 120.200 -0.056 0.000 2.107 39 E HA -0.195 4.152 4.350 -0.005 0.000 0.191 39 E C 2.209 178.785 176.600 -0.041 0.000 0.982 39 E CA 0.748 57.127 56.400 -0.036 0.000 0.809 39 E CB -0.151 29.519 29.700 -0.051 0.000 0.756 39 E HN 0.583 nan 8.360 nan 0.000 0.459 40 Q N 0.694 120.380 119.800 -0.190 0.000 2.061 40 Q HA -0.241 4.096 4.340 -0.005 0.000 0.204 40 Q C 2.158 178.214 176.000 0.093 0.000 0.984 40 Q CA 1.513 57.117 55.803 -0.332 0.000 0.846 40 Q CB -0.129 28.155 28.738 -0.757 0.000 0.902 40 Q HN 0.099 nan 8.270 nan 0.000 0.421 41 E N 1.149 121.381 120.200 0.053 0.000 2.110 41 E HA -0.229 4.118 4.350 -0.005 0.000 0.193 41 E C 1.875 178.546 176.600 0.119 0.000 0.988 41 E CA 1.455 57.917 56.400 0.105 0.000 0.804 41 E CB -0.086 29.645 29.700 0.053 0.000 0.745 41 E HN 0.353 nan 8.360 nan 0.000 0.458 42 Q N -0.278 119.586 119.800 0.106 0.000 2.083 42 Q HA -0.071 4.266 4.340 -0.005 0.000 0.198 42 Q C 1.776 177.896 176.000 0.200 0.000 0.969 42 Q CA 1.235 57.111 55.803 0.121 0.000 0.838 42 Q CB 0.017 28.812 28.738 0.095 0.000 0.900 42 Q HN 0.405 nan 8.270 nan 0.000 0.436 43 L N 0.329 121.711 121.223 0.265 0.000 2.592 43 L HA 0.125 4.462 4.340 -0.005 0.000 0.227 43 L C 2.237 179.333 176.870 0.377 0.000 1.127 43 L CA -0.112 54.961 54.840 0.388 0.000 0.884 43 L CB -0.072 42.210 42.059 0.372 0.000 1.065 43 L HN 0.125 nan 8.230 nan 0.000 0.457 44 R N 2.251 122.955 120.500 0.339 0.000 2.096 44 R HA -0.232 4.105 4.340 -0.005 0.000 0.240 44 R C 2.256 178.567 176.300 0.019 0.000 1.139 44 R CA 2.112 58.334 56.100 0.204 0.000 0.952 44 R CB -0.246 30.176 30.300 0.203 0.000 0.854 44 R HN 0.421 nan 8.270 nan 0.000 0.436 45 K N -1.431 118.947 120.400 -0.038 0.000 2.281 45 K HA -0.178 4.140 4.320 -0.005 0.000 0.203 45 K C 0.973 177.434 176.600 -0.233 0.000 1.046 45 K CA 1.720 57.903 56.287 -0.174 0.000 0.938 45 K CB -0.244 32.094 32.500 -0.270 0.000 0.737 45 K HN 0.442 nan 8.250 nan 0.000 0.458 46 H N 0.625 119.720 119.070 0.042 0.000 2.575 46 H HA 0.161 4.715 4.556 -0.005 0.000 0.267 46 H C -0.033 175.311 175.328 0.026 0.000 0.966 46 H CA -0.005 56.074 56.048 0.052 0.000 1.165 46 H CB 0.370 30.182 29.762 0.083 0.000 1.433 46 H HN 0.159 nan 8.280 nan 0.000 0.544 47 K N 1.738 122.161 120.400 0.039 0.000 2.349 47 K HA 0.203 4.520 4.320 -0.005 0.000 0.288 47 K C 0.462 176.995 176.600 -0.111 0.000 1.058 47 K CA -0.273 55.956 56.287 -0.096 0.000 0.953 47 K CB 0.661 32.934 32.500 -0.379 0.000 0.997 47 K HN 0.148 nan 8.250 nan 0.000 0.477 48 G N 3.285 112.033 108.800 -0.086 0.000 2.539 48 G HA2 0.188 4.145 3.960 -0.005 0.000 0.258 48 G HA3 0.188 4.145 3.960 -0.005 0.000 0.258 48 G C -0.772 174.010 174.900 -0.197 0.000 1.202 48 G CA -0.360 44.654 45.100 -0.145 0.000 0.851 48 G HN 0.630 nan 8.290 nan 0.000 0.556 49 E N -0.246 119.825 120.200 -0.216 0.000 2.366 49 E HA 0.248 4.595 4.350 -0.005 0.000 0.278 49 E C -1.024 175.477 176.600 -0.165 0.000 0.923 49 E CA -0.731 55.561 56.400 -0.181 0.000 0.761 49 E CB 2.391 31.997 29.700 -0.157 0.000 1.231 49 E HN 0.203 nan 8.360 nan 0.000 0.443 50 V N 2.824 122.663 119.914 -0.124 0.000 2.427 50 V HA 0.025 4.142 4.120 -0.005 0.000 0.268 50 V C 1.299 177.347 176.094 -0.077 0.000 1.046 50 V CA 0.066 62.312 62.300 -0.091 0.000 0.970 50 V CB 0.876 32.660 31.823 -0.065 0.000 1.001 50 V HN 0.563 nan 8.190 nan 0.000 0.476 51 V N 4.106 123.978 119.914 -0.071 0.000 2.446 51 V HA 0.308 4.425 4.120 -0.005 0.000 0.244 51 V C 0.885 176.952 176.094 -0.046 0.000 1.039 51 V CA 1.535 63.799 62.300 -0.061 0.000 1.045 51 V CB -0.087 31.698 31.823 -0.063 0.000 0.681 51 V HN 0.953 nan 8.190 nan 0.000 0.459 52 A N -0.709 122.088 122.820 -0.038 0.000 2.608 52 A HA 0.778 5.095 4.320 -0.005 0.000 0.292 52 A C -1.491 176.080 177.584 -0.022 0.000 1.066 52 A CA -0.398 51.621 52.037 -0.031 0.000 0.676 52 A CB 1.416 20.396 19.000 -0.034 0.000 1.277 52 A HN 0.110 nan 8.150 nan 0.000 0.413 53 I N 1.271 121.827 120.570 -0.022 0.000 2.503 53 I HA 0.293 4.460 4.170 -0.005 0.000 0.282 53 I C -0.382 175.721 176.117 -0.023 0.000 1.059 53 I CA -0.041 61.248 61.300 -0.019 0.000 1.081 53 I CB 1.926 39.914 38.000 -0.020 0.000 1.210 53 I HN 0.806 nan 8.210 nan 0.000 0.450 54 E N 7.112 127.297 120.200 -0.025 0.000 2.055 54 E HA 0.237 4.584 4.350 -0.005 0.000 0.274 54 E C -0.541 176.040 176.600 -0.032 0.000 0.949 54 E CA -0.469 55.914 56.400 -0.028 0.000 0.775 54 E CB 0.871 30.553 29.700 -0.030 0.000 1.097 54 E HN 0.504 nan 8.360 nan 0.000 0.404 55 E N 4.047 124.229 120.200 -0.030 0.000 2.344 55 E HA 0.140 4.487 4.350 -0.005 0.000 0.270 55 E C -0.194 176.385 176.600 -0.035 0.000 1.021 55 E CA 0.130 56.510 56.400 -0.034 0.000 0.887 55 E CB 1.027 30.711 29.700 -0.028 0.000 0.997 55 E HN 0.452 nan 8.360 nan 0.000 0.429 56 L N 1.186 122.383 121.223 -0.044 0.000 2.331 56 L HA 0.498 4.835 4.340 -0.005 0.000 0.268 56 L C 0.806 177.659 176.870 -0.029 0.000 1.015 56 L CA -1.085 53.732 54.840 -0.039 0.000 0.807 56 L CB 1.252 43.279 42.059 -0.055 0.000 1.293 56 L HN 0.544 nan 8.230 nan 0.000 0.451 57 G N -0.146 108.645 108.800 -0.015 0.000 2.444 57 G HA2 0.245 4.202 3.960 -0.005 0.000 0.268 57 G HA3 0.245 4.202 3.960 -0.005 0.000 0.268 57 G C -0.399 174.505 174.900 0.005 0.000 1.203 57 G CA -0.388 44.710 45.100 -0.004 0.000 0.835 57 G HN 0.630 nan 8.290 nan 0.000 0.543 58 E N 0.016 120.222 120.200 0.011 0.000 2.437 58 E HA 0.155 4.502 4.350 -0.005 0.000 0.263 58 E C 0.056 176.686 176.600 0.051 0.000 1.030 58 E CA 0.361 56.778 56.400 0.029 0.000 0.934 58 E CB 0.723 30.438 29.700 0.025 0.000 0.943 58 E HN 0.308 nan 8.360 nan 0.000 0.444 59 S N 2.041 117.794 115.700 0.088 0.000 2.474 59 S HA 0.084 4.551 4.470 -0.005 0.000 0.321 59 S C 0.707 175.373 174.600 0.110 0.000 1.080 59 S CA -0.769 57.494 58.200 0.105 0.000 1.106 59 S CB 0.869 64.162 63.200 0.154 0.000 0.984 59 S HN 0.400 nan 8.310 nan 0.000 0.464 60 E N 3.948 124.198 120.200 0.083 0.000 2.110 60 E HA -0.166 4.181 4.350 -0.005 0.000 0.193 60 E C 1.918 178.579 176.600 0.102 0.000 0.988 60 E CA 0.926 57.374 56.400 0.079 0.000 0.804 60 E CB -0.207 29.527 29.700 0.057 0.000 0.745 60 E HN 0.772 nan 8.360 nan 0.000 0.458 61 R N 0.805 121.369 120.500 0.106 0.000 2.083 61 R HA -0.120 4.217 4.340 -0.005 0.000 0.237 61 R C 2.288 178.701 176.300 0.188 0.000 1.137 61 R CA 1.474 57.646 56.100 0.119 0.000 0.951 61 R CB -0.142 30.214 30.300 0.093 0.000 0.851 61 R HN 0.011 nan 8.270 nan 0.000 0.434 62 V N 1.952 122.009 119.914 0.239 0.000 2.307 62 V HA -0.237 3.880 4.120 -0.005 0.000 0.245 62 V C 1.897 178.192 176.094 0.336 0.000 1.045 62 V CA 1.932 64.450 62.300 0.363 0.000 1.024 62 V CB -0.641 31.431 31.823 0.415 0.000 0.651 62 V HN 0.436 nan 8.190 nan 0.000 0.449 63 N N 0.798 119.629 118.700 0.219 0.000 2.149 63 N HA -0.142 4.595 4.740 -0.005 0.000 0.188 63 N C 1.888 177.484 175.510 0.145 0.000 1.019 63 N CA 1.720 54.867 53.050 0.162 0.000 0.857 63 N CB -0.492 38.055 38.487 0.100 0.000 0.997 63 N HN 0.506 nan 8.380 nan 0.000 0.426 64 A N 0.444 123.345 122.820 0.136 0.000 1.898 64 A HA -0.177 4.140 4.320 -0.005 0.000 0.216 64 A C 2.164 179.810 177.584 0.103 0.000 1.181 64 A CA 1.034 53.132 52.037 0.102 0.000 0.620 64 A CB -0.932 18.126 19.000 0.096 0.000 0.819 64 A HN 0.371 nan 8.150 nan 0.000 0.442 65 Y N -0.631 119.670 120.300 0.002 0.000 2.145 65 Y HA -0.182 4.365 4.550 -0.005 0.000 0.286 65 Y C 1.756 177.522 175.900 -0.223 0.000 1.145 65 Y CA 1.698 59.728 58.100 -0.116 0.000 1.148 65 Y CB -0.540 37.830 38.460 -0.149 0.000 0.981 65 Y HN 0.264 nan 8.280 nan 0.000 0.507 66 F N -0.034 119.764 119.950 -0.253 0.000 2.615 66 F HA 0.207 4.730 4.527 -0.006 0.000 0.297 66 F C 2.055 177.734 175.800 -0.202 0.000 1.124 66 F CA 1.069 58.864 58.000 -0.341 0.000 1.451 66 F CB -0.361 38.480 39.000 -0.264 0.000 1.103 66 F HN 0.190 nan 8.300 nan 0.000 0.569 67 G N 1.292 110.108 108.800 0.027 0.000 2.176 67 G HA2 -0.303 3.654 3.960 -0.005 0.000 0.252 67 G HA3 -0.303 3.654 3.960 -0.005 0.000 0.252 67 G C 0.074 174.993 174.900 0.031 0.000 1.024 67 G CA 0.620 45.727 45.100 0.012 0.000 0.755 67 G HN 0.533 nan 8.290 nan 0.000 0.507 68 K N -1.932 118.501 120.400 0.055 0.000 2.578 68 K HA 0.642 4.959 4.320 -0.005 0.000 0.287 68 K C -0.591 176.024 176.600 0.024 0.000 1.010 68 K CA -1.350 54.953 56.287 0.025 0.000 0.889 68 K CB 1.181 33.682 32.500 0.002 0.000 1.514 68 K HN 0.071 nan 8.250 nan 0.000 0.424 69 R N 1.413 121.916 120.500 0.004 0.000 2.210 69 R HA 0.327 4.664 4.340 -0.005 0.000 0.338 69 R C -0.680 175.607 176.300 -0.022 0.000 1.062 69 R CA -0.415 55.687 56.100 0.004 0.000 0.902 69 R CB 0.249 30.550 30.300 0.002 0.000 1.050 69 R HN 0.385 nan 8.270 nan 0.000 0.461 70 L N 4.145 125.358 121.223 -0.016 0.000 2.305 70 L HA 0.381 4.718 4.340 -0.005 0.000 0.284 70 L C 0.110 176.971 176.870 -0.015 0.000 1.013 70 L CA -0.724 54.090 54.840 -0.044 0.000 0.819 70 L CB 1.591 43.595 42.059 -0.092 0.000 1.227 70 L HN 0.371 nan 8.230 nan 0.000 0.417 71 K N 3.778 124.156 120.400 -0.037 0.000 2.237 71 K HA 0.463 4.780 4.320 -0.005 0.000 0.270 71 K C -0.514 176.036 176.600 -0.083 0.000 1.015 71 K CA -0.454 55.807 56.287 -0.043 0.000 0.949 71 K CB 0.966 33.441 32.500 -0.042 0.000 0.976 71 K HN 0.506 nan 8.250 nan 0.000 0.472 72 R N 0.596 121.032 120.500 -0.107 0.000 2.686 72 R HA 0.727 5.064 4.340 -0.005 0.000 0.286 72 R C -1.167 175.045 176.300 -0.146 0.000 0.969 72 R CA -0.893 55.079 56.100 -0.214 0.000 0.898 72 R CB 2.137 32.290 30.300 -0.245 0.000 1.183 72 R HN 0.709 nan 8.270 nan 0.000 0.456 73 A N 2.449 125.175 122.820 -0.156 0.000 2.599 73 A HA 0.479 4.796 4.320 -0.005 0.000 0.294 73 A C -1.349 176.197 177.584 -0.063 0.000 1.055 73 A CA -0.725 51.260 52.037 -0.087 0.000 0.683 73 A CB 1.200 20.165 19.000 -0.058 0.000 1.278 73 A HN 0.624 nan 8.150 nan 0.000 0.412 74 I N 1.582 122.129 120.570 -0.038 0.000 2.321 74 I HA 0.458 4.626 4.170 -0.005 0.000 0.291 74 I C -0.697 175.424 176.117 0.007 0.000 0.998 74 I CA -0.777 60.515 61.300 -0.014 0.000 1.227 74 I CB 1.583 39.566 38.000 -0.029 0.000 1.368 74 I HN 0.331 nan 8.210 nan 0.000 0.466 75 V N 7.067 127.016 119.914 0.059 0.000 2.495 75 V HA 0.379 4.496 4.120 -0.005 0.000 0.298 75 V C -0.162 176.000 176.094 0.112 0.000 1.031 75 V CA -0.841 61.509 62.300 0.082 0.000 0.871 75 V CB 1.900 33.787 31.823 0.108 0.000 0.988 75 V HN 0.629 nan 8.190 nan 0.000 0.432 76 K N 5.546 125.972 120.400 0.043 0.000 2.274 76 K HA 0.728 5.045 4.320 -0.005 0.000 0.262 76 K C -1.250 175.351 176.600 0.001 0.000 0.961 76 K CA -0.462 55.825 56.287 0.001 0.000 0.833 76 K CB 2.281 34.753 32.500 -0.047 0.000 1.102 76 K HN 0.506 nan 8.250 nan 0.000 0.436 77 I N 1.865 122.438 120.570 0.005 0.000 2.545 77 I HA 0.352 4.519 4.170 -0.005 0.000 0.292 77 I C -0.538 175.440 176.117 -0.232 0.000 1.040 77 I CA -1.009 60.216 61.300 -0.125 0.000 1.068 77 I CB 2.115 40.033 38.000 -0.137 0.000 1.251 77 I HN 0.624 nan 8.210 nan 0.000 0.424 78 A N 6.132 128.787 122.820 -0.273 0.000 2.260 78 A HA 0.651 4.968 4.320 -0.005 0.000 0.308 78 A C -1.452 175.976 177.584 -0.260 0.000 1.254 78 A CA -0.149 51.780 52.037 -0.181 0.000 0.874 78 A CB 0.083 19.018 19.000 -0.108 0.000 1.153 78 A HN 0.580 nan 8.150 nan 0.000 0.527 79 Y N 3.075 123.413 120.300 0.063 0.000 2.356 79 Y HA 0.370 4.917 4.550 -0.005 0.000 0.334 79 Y C -2.294 173.693 175.900 0.145 0.000 0.958 79 Y CA -2.448 55.734 58.100 0.136 0.000 1.196 79 Y CB 1.361 39.940 38.460 0.198 0.000 1.137 79 Y HN 0.519 nan 8.280 nan 0.000 0.485 80 P HA -0.049 nan 4.420 nan 0.000 0.264 80 P C 0.907 178.182 177.300 -0.041 0.000 1.193 80 P CA 0.430 63.571 63.100 0.067 0.000 0.763 80 P CB 0.738 32.459 31.700 0.036 0.000 0.810 81 T N -1.231 113.189 114.554 -0.224 0.000 3.072 81 T HA -0.087 4.260 4.350 -0.005 0.000 0.266 81 T C 1.297 175.678 174.700 -0.530 0.000 1.127 81 T CA 1.016 62.716 62.100 -0.667 0.000 1.107 81 T CB -0.945 67.700 68.868 -0.371 0.000 0.910 81 T HN 0.255 nan 8.240 nan 0.000 0.513 82 V N -0.796 118.992 119.914 -0.210 0.000 3.380 82 V HA 0.149 4.266 4.120 -0.005 0.000 0.268 82 V C 1.698 177.827 176.094 0.059 0.000 1.168 82 V CA 0.794 63.053 62.300 -0.067 0.000 1.156 82 V CB -1.031 30.754 31.823 -0.064 0.000 0.785 82 V HN 0.241 nan 8.190 nan 0.000 0.487 83 N N 0.947 119.657 118.700 0.017 0.000 2.424 83 N HA 0.226 4.963 4.740 -0.005 0.000 0.178 83 N C 0.073 175.737 175.510 0.256 0.000 1.060 83 N CA 0.740 53.921 53.050 0.217 0.000 0.901 83 N CB 0.097 38.796 38.487 0.354 0.000 0.979 83 N HN 0.846 nan 8.380 nan 0.000 0.451 84 F N -1.911 118.145 119.950 0.176 0.000 2.643 84 F HA 0.643 5.167 4.527 -0.005 0.000 0.314 84 F C 0.120 176.055 175.800 0.225 0.000 1.096 84 F CA -1.794 56.312 58.000 0.176 0.000 0.953 84 F CB 0.505 39.600 39.000 0.158 0.000 1.345 84 F HN -0.251 nan 8.300 nan 0.000 0.468 85 S N 0.365 116.314 115.700 0.414 0.000 2.593 85 S HA 0.572 5.039 4.470 -0.005 0.000 0.269 85 S C 0.240 175.116 174.600 0.461 0.000 1.334 85 S CA -0.317 58.067 58.200 0.307 0.000 1.015 85 S CB 1.191 64.520 63.200 0.215 0.000 0.912 85 S HN 1.247 nan 8.310 nan 0.000 0.541 86 A N 1.894 124.878 122.820 0.274 0.000 3.048 86 A HA 0.437 4.754 4.320 -0.005 0.000 0.264 86 A C -0.049 177.609 177.584 0.123 0.000 1.796 86 A CA -0.475 51.674 52.037 0.186 0.000 1.445 86 A CB -1.656 17.211 19.000 -0.221 0.000 1.074 86 A HN 0.912 nan 8.150 nan 0.000 0.621 87 D N -1.377 119.284 120.400 0.436 0.000 2.661 87 D HA 0.388 5.025 4.640 -0.005 0.000 0.228 87 D C 0.536 177.101 176.300 0.441 0.000 1.210 87 D CA -0.841 53.388 54.000 0.382 0.000 0.826 87 D CB 0.642 41.565 40.800 0.204 0.000 1.542 87 D HN -0.025 nan 8.370 nan 0.000 0.447 88 L N 0.032 121.458 121.223 0.338 0.000 2.083 88 L HA 0.016 4.353 4.340 -0.005 0.000 0.209 88 L C -0.775 176.203 176.870 0.180 0.000 1.083 88 L CA 1.182 56.141 54.840 0.198 0.000 0.752 88 L CB -1.307 40.812 42.059 0.100 0.000 0.899 88 L HN 0.388 nan 8.230 nan 0.000 0.433 89 P HA -0.141 nan 4.420 nan 0.000 0.217 89 P C 1.525 178.899 177.300 0.124 0.000 1.150 89 P CA 1.645 64.834 63.100 0.148 0.000 0.832 89 P CB 0.043 31.826 31.700 0.137 0.000 0.787 90 A N -0.572 122.341 122.820 0.154 0.000 1.898 90 A HA -0.171 4.147 4.320 -0.005 0.000 0.216 90 A C 2.125 179.654 177.584 -0.091 0.000 1.181 90 A CA 1.402 53.509 52.037 0.117 0.000 0.620 90 A CB -1.668 17.504 19.000 0.287 0.000 0.819 90 A HN 0.159 nan 8.150 nan 0.000 0.442 91 L N -0.091 121.102 121.223 -0.050 0.000 1.989 91 L HA -0.146 4.191 4.340 -0.005 0.000 0.211 91 L C 2.289 179.049 176.870 -0.182 0.000 1.071 91 L CA 1.858 56.538 54.840 -0.267 0.000 0.749 91 L CB -0.473 41.613 42.059 0.045 0.000 0.890 91 L HN 0.401 nan 8.230 nan 0.000 0.431 92 L N -1.574 119.655 121.223 0.010 0.000 2.046 92 L HA -0.192 4.145 4.340 -0.005 0.000 0.208 92 L C 2.439 179.336 176.870 0.044 0.000 1.077 92 L CA 1.078 55.972 54.840 0.089 0.000 0.747 92 L CB -0.625 41.553 42.059 0.198 0.000 0.896 92 L HN 0.152 nan 8.230 nan 0.000 0.432 93 V N -0.666 119.252 119.914 0.006 0.000 2.427 93 V HA -0.238 3.879 4.120 -0.005 0.000 0.248 93 V C 2.514 178.561 176.094 -0.079 0.000 1.051 93 V CA 2.165 64.459 62.300 -0.010 0.000 1.048 93 V CB -0.549 31.282 31.823 0.014 0.000 0.666 93 V HN 0.475 nan 8.190 nan 0.000 0.456 94 T N 0.053 114.487 114.554 -0.199 0.000 2.812 94 T HA -0.149 4.198 4.350 -0.005 0.000 0.264 94 T C 1.949 176.374 174.700 -0.458 0.000 1.042 94 T CA 2.061 63.966 62.100 -0.325 0.000 1.140 94 T CB -0.335 68.186 68.868 -0.580 0.000 0.870 94 T HN 0.739 nan 8.240 nan 0.000 0.445 95 T N -1.663 112.637 114.554 -0.423 0.000 3.067 95 T HA 0.177 4.524 4.350 -0.005 0.000 0.257 95 T C 0.498 175.336 174.700 0.230 0.000 1.105 95 T CA 0.160 62.080 62.100 -0.300 0.000 1.104 95 T CB -0.095 68.628 68.868 -0.241 0.000 0.925 95 T HN 0.221 nan 8.240 nan 0.000 0.498 96 F N 0.851 120.778 119.950 -0.037 0.000 2.453 96 F HA 0.589 5.114 4.527 -0.004 0.000 0.382 96 F C 0.917 176.714 175.800 -0.004 0.000 1.495 96 F CA -1.429 56.590 58.000 0.032 0.000 1.071 96 F CB 0.312 39.352 39.000 0.067 0.000 1.577 96 F HN 0.122 nan 8.300 nan 0.000 0.508 97 G N 0.660 109.432 108.800 -0.048 0.000 2.549 97 G HA2 -0.018 3.939 3.960 -0.005 0.000 0.219 97 G HA3 -0.018 3.939 3.960 -0.005 0.000 0.219 97 G C 1.353 176.159 174.900 -0.157 0.000 1.677 97 G CA 0.394 45.440 45.100 -0.090 0.000 0.929 97 G HN 0.219 nan 8.290 nan 0.000 0.549 98 K N -0.302 120.039 120.400 -0.098 0.000 2.147 98 K HA -0.017 4.300 4.320 -0.005 0.000 0.205 98 K C 2.426 178.941 176.600 -0.141 0.000 1.049 98 K CA 1.038 57.267 56.287 -0.096 0.000 0.936 98 K CB -0.235 32.237 32.500 -0.047 0.000 0.722 98 K HN 0.192 nan 8.250 nan 0.000 0.446 99 L N 1.506 122.641 121.223 -0.147 0.000 2.191 99 L HA -0.139 4.199 4.340 -0.005 0.000 0.212 99 L C 2.077 178.744 176.870 -0.339 0.000 1.103 99 L CA 2.102 56.845 54.840 -0.161 0.000 0.769 99 L CB -0.617 41.406 42.059 -0.060 0.000 0.908 99 L HN 0.331 nan 8.230 nan 0.000 0.438 100 S N -1.494 113.789 115.700 -0.695 0.000 2.474 100 S HA -0.108 4.360 4.470 -0.005 0.000 0.235 100 S C 1.683 176.047 174.600 -0.395 0.000 0.997 100 S CA 1.127 58.729 58.200 -0.997 0.000 0.949 100 S CB -0.667 61.823 63.200 -1.183 0.000 0.766 100 S HN 0.544 nan 8.310 nan 0.000 0.517 101 L N 0.564 121.633 121.223 -0.256 0.000 2.585 101 L HA 0.325 4.662 4.340 -0.005 0.000 0.226 101 L C 0.755 177.572 176.870 -0.088 0.000 1.113 101 L CA 0.051 54.803 54.840 -0.148 0.000 0.876 101 L CB -0.243 41.745 42.059 -0.119 0.000 1.072 101 L HN 0.134 nan 8.230 nan 0.000 0.468 102 D N 1.558 121.911 120.400 -0.079 0.000 2.801 102 D HA 0.292 4.929 4.640 -0.005 0.000 0.232 102 D C 1.094 177.403 176.300 0.015 0.000 1.128 102 D CA 0.847 54.826 54.000 -0.035 0.000 1.003 102 D CB -0.198 40.574 40.800 -0.046 0.000 1.110 102 D HN 0.308 nan 8.370 nan 0.000 0.477 103 G N 2.419 111.241 108.800 0.037 0.000 2.550 103 G HA2 -0.301 3.656 3.960 -0.005 0.000 0.277 103 G HA3 -0.301 3.656 3.960 -0.005 0.000 0.277 103 G C -0.134 174.918 174.900 0.252 0.000 1.190 103 G CA -0.253 44.906 45.100 0.097 0.000 0.971 103 G HN 0.419 nan 8.290 nan 0.000 0.559 104 E N 0.421 120.728 120.200 0.179 0.000 1.936 104 E HA 0.559 4.907 4.350 -0.005 0.000 0.267 104 E C -0.266 176.451 176.600 0.194 0.000 1.076 104 E CA -0.010 56.493 56.400 0.171 0.000 0.870 104 E CB 1.290 30.939 29.700 -0.085 0.000 1.093 104 E HN 0.666 nan 8.360 nan 0.000 0.411 105 V N 3.258 123.344 119.914 0.287 0.000 2.668 105 V HA 0.483 4.600 4.120 -0.005 0.000 0.304 105 V C -0.433 175.924 176.094 0.439 0.000 1.071 105 V CA -0.960 61.518 62.300 0.297 0.000 0.894 105 V CB 2.092 34.060 31.823 0.241 0.000 1.008 105 V HN 0.462 nan 8.190 nan 0.000 0.425 106 R N 3.676 124.362 120.500 0.309 0.000 2.561 106 R HA 0.674 5.012 4.340 -0.005 0.000 0.297 106 R C -1.491 174.797 176.300 -0.020 0.000 0.969 106 R CA -0.837 55.365 56.100 0.170 0.000 0.879 106 R CB 1.748 32.105 30.300 0.095 0.000 1.178 106 R HN 0.624 nan 8.270 nan 0.000 0.445 107 L N 6.221 127.171 121.223 -0.456 0.000 2.315 107 L HA 0.227 4.564 4.340 -0.005 0.000 0.283 107 L C -0.107 176.565 176.870 -0.330 0.000 1.089 107 L CA 0.347 54.866 54.840 -0.535 0.000 0.833 107 L CB 0.938 42.389 42.059 -1.013 0.000 1.170 107 L HN 0.869 nan 8.230 nan 0.000 0.442 108 L N 2.834 123.899 121.223 -0.263 0.000 2.357 108 L HA 0.368 4.705 4.340 -0.005 0.000 0.211 108 L C 0.037 176.798 176.870 -0.182 0.000 1.075 108 L CA 0.207 54.938 54.840 -0.182 0.000 0.830 108 L CB 0.029 42.008 42.059 -0.135 0.000 0.996 108 L HN 0.632 nan 8.230 nan 0.000 0.467 109 D N -1.314 118.937 120.400 -0.247 0.000 2.653 109 D HA 0.506 5.143 4.640 -0.005 0.000 0.258 109 D C -1.622 174.501 176.300 -0.296 0.000 1.252 109 D CA -0.339 53.528 54.000 -0.223 0.000 0.777 109 D CB 1.822 42.508 40.800 -0.190 0.000 1.339 109 D HN -0.209 nan 8.370 nan 0.000 0.422 110 L N 1.521 122.549 121.223 -0.326 0.000 2.438 110 L HA 0.482 4.819 4.340 -0.005 0.000 0.270 110 L C -0.664 175.732 176.870 -0.790 0.000 0.972 110 L CA -0.692 53.866 54.840 -0.470 0.000 0.831 110 L CB 2.230 44.081 42.059 -0.347 0.000 1.273 110 L HN 0.347 nan 8.230 nan 0.000 0.405 111 E N 2.871 122.685 120.200 -0.644 0.000 2.155 111 E HA 0.520 4.867 4.350 -0.005 0.000 0.264 111 E C -1.536 174.785 176.600 -0.464 0.000 0.886 111 E CA -0.644 55.420 56.400 -0.560 0.000 0.752 111 E CB 1.133 30.677 29.700 -0.259 0.000 1.133 111 E HN 0.256 nan 8.360 nan 0.000 0.414 112 F N 4.801 124.786 119.950 0.058 0.000 2.422 112 F HA 0.430 4.956 4.527 -0.003 0.000 0.333 112 F C -1.816 174.066 175.800 0.137 0.000 1.095 112 F CA -2.901 55.163 58.000 0.107 0.000 1.038 112 F CB 0.475 39.671 39.000 0.326 0.000 1.156 112 F HN 0.294 nan 8.300 nan 0.000 0.483 113 P HA 0.020 nan 4.420 nan 0.000 0.271 113 P C 0.161 177.632 177.300 0.285 0.000 1.216 113 P CA 0.042 63.280 63.100 0.230 0.000 0.776 113 P CB 1.141 32.952 31.700 0.186 0.000 0.881 114 D N 2.040 122.545 120.400 0.175 0.000 2.149 114 D HA -0.261 4.376 4.640 -0.005 0.000 0.194 114 D C 1.724 178.113 176.300 0.147 0.000 1.001 114 D CA 1.774 55.852 54.000 0.130 0.000 0.849 114 D CB -0.109 40.724 40.800 0.054 0.000 0.939 114 D HN 0.602 nan 8.370 nan 0.000 0.449 115 E N -1.360 118.932 120.200 0.152 0.000 2.118 115 E HA -0.202 4.146 4.350 -0.005 0.000 0.195 115 E C 1.776 178.496 176.600 0.200 0.000 0.992 115 E CA 0.986 57.467 56.400 0.136 0.000 0.804 115 E CB -0.305 29.466 29.700 0.117 0.000 0.741 115 E HN 0.555 nan 8.360 nan 0.000 0.458 116 W N 1.416 122.791 121.300 0.124 0.000 2.409 116 W HA -0.058 4.599 4.660 -0.004 0.000 0.299 116 W C 1.941 178.625 176.519 0.275 0.000 1.203 116 W CA 1.524 58.979 57.345 0.184 0.000 1.298 116 W CB 0.088 29.684 29.460 0.226 0.000 1.127 116 W HN -0.077 nan 8.180 nan 0.000 0.528 117 K N -0.043 120.627 120.400 0.450 0.000 2.103 117 K HA -0.193 4.124 4.320 -0.005 0.000 0.207 117 K C 1.909 178.688 176.600 0.297 0.000 1.048 117 K CA 1.661 58.183 56.287 0.392 0.000 0.930 117 K CB -0.419 32.243 32.500 0.270 0.000 0.716 117 K HN 0.145 nan 8.250 nan 0.000 0.444 118 R N 1.049 121.616 120.500 0.111 0.000 2.303 118 R HA -0.131 4.206 4.340 -0.005 0.000 0.225 118 R C 1.616 177.887 176.300 -0.048 0.000 1.114 118 R CA 0.914 57.033 56.100 0.032 0.000 1.007 118 R CB -0.104 30.189 30.300 -0.011 0.000 0.861 118 R HN 0.388 nan 8.270 nan 0.000 0.471 119 Q N -0.583 119.102 119.800 -0.191 0.000 2.403 119 Q HA 0.075 4.413 4.340 -0.005 0.000 0.203 119 Q C -0.592 174.898 176.000 -0.848 0.000 0.932 119 Q CA 0.338 55.819 55.803 -0.535 0.000 0.945 119 Q CB 0.374 28.633 28.738 -0.799 0.000 1.045 119 Q HN 0.120 nan 8.270 nan 0.000 0.511 120 F N 0.016 119.880 119.950 -0.144 0.000 2.546 120 F HA 0.277 4.802 4.527 -0.004 0.000 0.320 120 F C -1.518 174.280 175.800 -0.004 0.000 1.076 120 F CA -2.520 55.400 58.000 -0.133 0.000 0.928 120 F CB 1.286 40.160 39.000 -0.210 0.000 1.189 120 F HN -0.202 nan 8.300 nan 0.000 0.465 121 P HA 0.097 nan 4.420 nan 0.000 0.218 121 P C 0.546 177.819 177.300 -0.044 0.000 1.152 121 P CA 1.386 64.478 63.100 -0.013 0.000 0.826 121 P CB 0.415 32.069 31.700 -0.078 0.000 0.790 122 G N 0.675 109.245 108.800 -0.384 0.000 2.796 122 G HA2 -0.156 3.801 3.960 -0.005 0.000 0.226 122 G HA3 -0.156 3.801 3.960 -0.005 0.000 0.226 122 G C -2.988 171.801 174.900 -0.186 0.000 1.381 122 G CA -0.578 44.231 45.100 -0.485 0.000 0.867 122 G HN 0.150 nan 8.290 nan 0.000 0.552 123 P HA 0.296 nan 4.420 nan 0.000 0.271 123 P C 0.807 178.045 177.300 -0.104 0.000 1.218 123 P CA -0.257 62.799 63.100 -0.074 0.000 0.780 123 P CB 0.863 32.540 31.700 -0.038 0.000 0.901 124 R N 1.715 122.115 120.500 -0.166 0.000 2.093 124 R HA 0.002 4.339 4.340 -0.005 0.000 0.224 124 R C 0.786 176.732 176.300 -0.589 0.000 1.101 124 R CA 1.636 57.493 56.100 -0.405 0.000 0.979 124 R CB -0.163 29.798 30.300 -0.566 0.000 0.877 124 R HN 0.404 nan 8.270 nan 0.000 0.441 125 F N -0.708 119.214 119.950 -0.046 0.000 2.537 125 F HA 0.380 4.904 4.527 -0.005 0.000 0.277 125 F C 1.419 177.165 175.800 -0.089 0.000 1.013 125 F CA 0.672 58.639 58.000 -0.056 0.000 1.332 125 F CB -0.354 38.614 39.000 -0.054 0.000 1.108 125 F HN 0.253 nan 8.300 nan 0.000 0.679 126 G N 1.393 110.228 108.800 0.058 0.000 2.752 126 G HA2 -0.280 3.677 3.960 -0.005 0.000 0.234 126 G HA3 -0.280 3.677 3.960 -0.005 0.000 0.234 126 G C 0.836 175.641 174.900 -0.158 0.000 1.367 126 G CA -0.062 44.997 45.100 -0.069 0.000 0.879 126 G HN 0.238 nan 8.290 nan 0.000 0.563 127 I N 0.115 120.490 120.570 -0.325 0.000 2.163 127 I HA -0.180 3.987 4.170 -0.005 0.000 0.243 127 I C 2.496 178.436 176.117 -0.296 0.000 1.085 127 I CA 2.091 63.024 61.300 -0.612 0.000 1.347 127 I CB -0.434 37.074 38.000 -0.820 0.000 1.044 127 I HN 0.519 nan 8.210 nan 0.000 0.408 128 D N 0.985 121.276 120.400 -0.181 0.000 2.104 128 D HA -0.143 4.495 4.640 -0.005 0.000 0.194 128 D C 2.180 178.480 176.300 0.001 0.000 0.994 128 D CA 1.699 55.642 54.000 -0.094 0.000 0.830 128 D CB -0.619 40.151 40.800 -0.051 0.000 0.959 128 D HN 0.411 nan 8.370 nan 0.000 0.452 129 G N 0.916 109.751 108.800 0.058 0.000 2.402 129 G HA2 -0.182 3.775 3.960 -0.005 0.000 0.216 129 G HA3 -0.182 3.775 3.960 -0.005 0.000 0.216 129 G C 1.592 176.540 174.900 0.080 0.000 1.162 129 G CA 0.200 45.400 45.100 0.166 0.000 0.777 129 G HN 0.158 nan 8.290 nan 0.000 0.539 130 I N 0.803 121.397 120.570 0.041 0.000 2.252 130 I HA -0.055 4.112 4.170 -0.005 0.000 0.245 130 I C 2.775 178.963 176.117 0.119 0.000 1.102 130 I CA 0.899 62.220 61.300 0.035 0.000 1.385 130 I CB -0.965 37.051 38.000 0.027 0.000 1.064 130 I HN 0.176 nan 8.210 nan 0.000 0.414 131 R N 0.495 121.083 120.500 0.146 0.000 2.105 131 R HA -0.184 4.153 4.340 -0.005 0.000 0.239 131 R C 1.853 178.270 176.300 0.196 0.000 1.135 131 R CA 1.481 57.665 56.100 0.139 0.000 0.967 131 R CB -0.186 30.071 30.300 -0.071 0.000 0.861 131 R HN 0.386 nan 8.270 nan 0.000 0.442 132 D N -0.144 120.364 120.400 0.181 0.000 2.123 132 D HA -0.090 4.547 4.640 -0.005 0.000 0.200 132 D C 1.978 178.326 176.300 0.080 0.000 0.976 132 D CA 0.804 54.913 54.000 0.182 0.000 0.831 132 D CB -0.057 40.832 40.800 0.148 0.000 0.974 132 D HN -0.000 nan 8.370 nan 0.000 0.469 133 R N 0.491 121.008 120.500 0.029 0.000 2.127 133 R HA -0.056 4.281 4.340 -0.005 0.000 0.238 133 R C 2.028 178.322 176.300 -0.010 0.000 1.134 133 R CA 0.366 56.446 56.100 -0.033 0.000 0.975 133 R CB -0.790 29.434 30.300 -0.127 0.000 0.865 133 R HN 0.168 nan 8.270 nan 0.000 0.447 134 V N -0.450 119.485 119.914 0.034 0.000 3.644 134 V HA 0.194 4.311 4.120 -0.005 0.000 0.267 134 V C 0.762 176.883 176.094 0.046 0.000 1.277 134 V CA 1.047 63.366 62.300 0.033 0.000 1.096 134 V CB 0.067 31.919 31.823 0.049 0.000 0.828 134 V HN 0.578 nan 8.190 nan 0.000 0.446 135 G N 0.692 109.538 108.800 0.076 0.000 2.176 135 G HA2 -0.194 3.764 3.960 -0.005 0.000 0.252 135 G HA3 -0.194 3.764 3.960 -0.005 0.000 0.252 135 G C -0.009 174.963 174.900 0.121 0.000 1.024 135 G CA 0.348 45.493 45.100 0.076 0.000 0.755 135 G HN 0.794 nan 8.290 nan 0.000 0.507 136 V N 1.066 121.097 119.914 0.195 0.000 2.378 136 V HA 0.643 4.760 4.120 -0.005 0.000 0.288 136 V C 0.001 176.288 176.094 0.321 0.000 1.016 136 V CA -0.926 61.494 62.300 0.200 0.000 0.840 136 V CB 1.489 33.383 31.823 0.118 0.000 0.994 136 V HN 0.390 nan 8.190 nan 0.000 0.431 137 H N 3.049 122.155 119.070 0.061 0.000 2.710 137 H HA 0.597 5.150 4.556 -0.004 0.000 0.361 137 H C 0.723 176.088 175.328 0.063 0.000 1.175 137 H CA -0.159 55.927 56.048 0.064 0.000 1.206 137 H CB 1.426 31.215 29.762 0.046 0.000 1.750 137 H HN 0.733 nan 8.280 nan 0.000 0.553 138 N N -0.885 117.894 118.700 0.131 0.000 2.858 138 N HA -0.287 4.450 4.740 -0.005 0.000 0.221 138 N C -0.196 175.367 175.510 0.088 0.000 0.175 138 N CA 2.003 55.110 53.050 0.095 0.000 4.001 138 N CB -0.946 37.601 38.487 0.101 0.000 0.946 138 N HN 0.722 nan 8.380 nan 0.000 0.234 139 R N 3.241 123.797 120.500 0.092 0.000 2.641 139 R HA 0.432 4.769 4.340 -0.005 0.000 0.269 139 R C -2.575 173.782 176.300 0.095 0.000 1.074 139 R CA -1.200 54.950 56.100 0.083 0.000 1.133 139 R CB 0.045 30.386 30.300 0.069 0.000 1.029 139 R HN 0.231 nan 8.270 nan 0.000 0.488 140 P HA 0.009 nan 4.420 nan 0.000 0.272 140 P C -0.325 176.994 177.300 0.032 0.000 1.230 140 P CA -0.141 63.017 63.100 0.096 0.000 0.788 140 P CB 0.651 32.404 31.700 0.089 0.000 0.949 141 L N 0.889 122.087 121.223 -0.041 0.000 2.468 141 L HA 0.438 4.776 4.340 -0.005 0.000 0.254 141 L C 0.547 177.331 176.870 -0.143 0.000 1.171 141 L CA -0.815 53.956 54.840 -0.114 0.000 0.809 141 L CB 0.186 42.095 42.059 -0.249 0.000 1.155 141 L HN 0.270 nan 8.230 nan 0.000 0.473 142 L N 2.447 123.578 121.223 -0.154 0.000 2.410 142 L HA 0.608 4.945 4.340 -0.005 0.000 0.270 142 L C -0.586 176.141 176.870 -0.239 0.000 0.983 142 L CA -0.281 54.433 54.840 -0.209 0.000 0.822 142 L CB 1.702 43.663 42.059 -0.162 0.000 1.285 142 L HN 0.655 nan 8.230 nan 0.000 0.409 143 M N 2.842 122.260 119.600 -0.303 0.000 2.593 143 M HA 0.944 5.421 4.480 -0.005 0.000 0.290 143 M C -1.048 175.060 176.300 -0.320 0.000 1.244 143 M CA -0.350 54.781 55.300 -0.282 0.000 0.857 143 M CB 2.312 34.749 32.600 -0.271 0.000 1.738 143 M HN 0.606 nan 8.290 nan 0.000 0.461 144 S N 0.820 116.355 115.700 -0.276 0.000 2.685 144 S HA 0.882 5.349 4.470 -0.005 0.000 0.282 144 S C -0.982 173.502 174.600 -0.193 0.000 1.159 144 S CA -0.869 57.170 58.200 -0.269 0.000 0.833 144 S CB 1.650 64.656 63.200 -0.323 0.000 1.151 144 S HN 0.797 nan 8.310 nan 0.000 0.485 145 I N 0.654 121.155 120.570 -0.115 0.000 2.608 145 I HA 0.456 4.624 4.170 -0.005 0.000 0.295 145 I C -0.956 175.239 176.117 0.130 0.000 1.049 145 I CA -0.833 60.470 61.300 0.005 0.000 1.063 145 I CB 1.499 39.537 38.000 0.063 0.000 1.248 145 I HN 0.564 nan 8.210 nan 0.000 0.424 146 F N 3.629 123.650 119.950 0.117 0.000 2.563 146 F HA 0.138 4.662 4.527 -0.005 0.000 0.363 146 F C 0.657 176.482 175.800 0.042 0.000 1.123 146 F CA 0.392 58.450 58.000 0.097 0.000 1.307 146 F CB 0.375 39.397 39.000 0.036 0.000 1.115 146 F HN 0.347 nan 8.300 nan 0.000 0.592 147 K N 1.135 121.574 120.400 0.065 0.000 2.270 147 K HA 0.526 4.843 4.320 -0.005 0.000 0.255 147 K C 0.412 177.034 176.600 0.037 0.000 0.936 147 K CA -0.198 56.071 56.287 -0.030 0.000 0.809 147 K CB 1.588 33.934 32.500 -0.257 0.000 1.131 147 K HN 0.783 nan 8.250 nan 0.000 0.427 148 G N 3.678 112.509 108.800 0.052 0.000 2.341 148 G HA2 -0.271 3.686 3.960 -0.005 0.000 0.292 148 G HA3 -0.271 3.686 3.960 -0.005 0.000 0.292 148 G C 0.296 175.227 174.900 0.051 0.000 1.021 148 G CA 0.755 45.882 45.100 0.045 0.000 0.905 148 G HN 0.626 nan 8.290 nan 0.000 0.508 149 M N -0.262 119.372 119.600 0.057 0.000 2.447 149 M HA 0.358 4.835 4.480 -0.005 0.000 0.264 149 M C 1.529 177.815 176.300 -0.024 0.000 1.095 149 M CA 0.171 55.486 55.300 0.023 0.000 1.125 149 M CB 0.046 32.612 32.600 -0.057 0.000 1.389 149 M HN 0.340 nan 8.290 nan 0.000 0.459 150 I N 1.048 121.610 120.570 -0.014 0.000 2.742 150 I HA 0.070 4.237 4.170 -0.005 0.000 0.287 150 I C 1.369 177.470 176.117 -0.027 0.000 1.186 150 I CA 0.894 62.190 61.300 -0.007 0.000 1.417 150 I CB -0.491 37.519 38.000 0.017 0.000 1.377 150 I HN 0.672 nan 8.210 nan 0.000 0.556 151 G N 5.165 113.950 108.800 -0.024 0.000 2.175 151 G HA2 -0.205 3.753 3.960 -0.005 0.000 0.244 151 G HA3 -0.205 3.753 3.960 -0.005 0.000 0.244 151 G C 0.464 175.321 174.900 -0.072 0.000 0.982 151 G CA -0.474 44.602 45.100 -0.040 0.000 0.641 151 G HN 0.530 nan 8.290 nan 0.000 0.527 152 R N 0.950 121.397 120.500 -0.088 0.000 2.549 152 R HA 0.572 4.909 4.340 -0.005 0.000 0.259 152 R C 0.173 176.450 176.300 -0.038 0.000 1.095 152 R CA 0.189 56.216 56.100 -0.121 0.000 1.148 152 R CB 0.494 30.692 30.300 -0.170 0.000 1.181 152 R HN 0.516 nan 8.270 nan 0.000 0.571 153 D N -1.062 119.336 120.400 -0.003 0.000 2.494 153 D HA 0.165 4.802 4.640 -0.005 0.000 0.259 153 D C 1.232 177.563 176.300 0.051 0.000 1.109 153 D CA -0.751 53.263 54.000 0.024 0.000 1.040 153 D CB 0.466 41.279 40.800 0.021 0.000 1.175 153 D HN 0.288 nan 8.370 nan 0.000 0.584 154 L N -0.231 121.010 121.223 0.029 0.000 2.083 154 L HA -0.118 4.219 4.340 -0.005 0.000 0.209 154 L C 2.469 179.358 176.870 0.031 0.000 1.083 154 L CA 1.686 56.536 54.840 0.017 0.000 0.752 154 L CB -0.639 41.427 42.059 0.011 0.000 0.899 154 L HN 0.621 nan 8.230 nan 0.000 0.433 155 A N -0.796 122.055 122.820 0.052 0.000 1.933 155 A HA -0.283 4.034 4.320 -0.005 0.000 0.218 155 A C 2.187 179.817 177.584 0.077 0.000 1.175 155 A CA 1.558 53.627 52.037 0.054 0.000 0.628 155 A CB -0.830 18.206 19.000 0.060 0.000 0.814 155 A HN 0.449 nan 8.150 nan 0.000 0.444 156 Y N -0.323 119.969 120.300 -0.015 0.000 2.200 156 Y HA -0.111 4.436 4.550 -0.005 0.000 0.290 156 Y C 2.045 177.944 175.900 -0.002 0.000 1.137 156 Y CA 1.588 59.684 58.100 -0.008 0.000 1.163 156 Y CB -0.282 38.166 38.460 -0.019 0.000 0.988 156 Y HN 0.263 nan 8.280 nan 0.000 0.518 157 L N 0.015 121.262 121.223 0.040 0.000 1.989 157 L HA -0.218 4.119 4.340 -0.005 0.000 0.211 157 L C 2.616 179.478 176.870 -0.015 0.000 1.071 157 L CA 2.836 57.623 54.840 -0.089 0.000 0.749 157 L CB -1.392 40.561 42.059 -0.176 0.000 0.890 157 L HN 0.478 nan 8.230 nan 0.000 0.431 158 T N -4.120 110.419 114.554 -0.026 0.000 2.788 158 T HA -0.206 4.141 4.350 -0.005 0.000 0.268 158 T C 2.098 176.777 174.700 -0.035 0.000 1.044 158 T CA 1.568 63.655 62.100 -0.021 0.000 1.139 158 T CB -0.972 67.886 68.868 -0.017 0.000 0.867 158 T HN 0.386 nan 8.240 nan 0.000 0.454 159 S N 0.922 116.580 115.700 -0.071 0.000 2.356 159 S HA -0.152 4.315 4.470 -0.005 0.000 0.223 159 S C 2.202 176.725 174.600 -0.129 0.000 1.032 159 S CA 1.129 59.266 58.200 -0.105 0.000 1.005 159 S CB -0.521 62.592 63.200 -0.144 0.000 0.867 159 S HN 0.493 nan 8.310 nan 0.000 0.449 160 E N 0.776 120.872 120.200 -0.174 0.000 2.106 160 E HA -0.083 4.264 4.350 -0.005 0.000 0.192 160 E C 2.059 178.629 176.600 -0.051 0.000 0.984 160 E CA 0.695 57.033 56.400 -0.103 0.000 0.806 160 E CB -0.563 29.108 29.700 -0.049 0.000 0.750 160 E HN 0.461 nan 8.360 nan 0.000 0.458 161 L N 1.684 122.924 121.223 0.027 0.000 2.046 161 L HA -0.147 4.190 4.340 -0.005 0.000 0.208 161 L C 1.982 178.765 176.870 -0.145 0.000 1.077 161 L CA 1.811 56.564 54.840 -0.144 0.000 0.747 161 L CB -0.288 41.751 42.059 -0.034 0.000 0.896 161 L HN -0.076 nan 8.230 nan 0.000 0.432 162 K N -0.482 119.866 120.400 -0.086 0.000 2.026 162 K HA -0.199 4.118 4.320 -0.005 0.000 0.208 162 K C 2.096 178.649 176.600 -0.079 0.000 1.048 162 K CA 1.748 57.991 56.287 -0.073 0.000 0.929 162 K CB -0.171 32.298 32.500 -0.051 0.000 0.713 162 K HN 0.327 nan 8.250 nan 0.000 0.439 163 K N 0.964 121.318 120.400 -0.077 0.000 2.063 163 K HA -0.217 4.100 4.320 -0.005 0.000 0.208 163 K C 2.282 178.826 176.600 -0.092 0.000 1.048 163 K CA 1.647 57.895 56.287 -0.066 0.000 0.928 163 K CB -0.079 32.398 32.500 -0.039 0.000 0.713 163 K HN 0.221 nan 8.250 nan 0.000 0.442 164 Q N -0.045 119.673 119.800 -0.137 0.000 2.079 164 Q HA -0.102 4.235 4.340 -0.005 0.000 0.200 164 Q C 2.182 178.089 176.000 -0.155 0.000 0.974 164 Q CA 1.391 57.081 55.803 -0.187 0.000 0.840 164 Q CB -0.119 28.445 28.738 -0.291 0.000 0.898 164 Q HN 0.352 nan 8.270 nan 0.000 0.430 165 A N 0.733 123.470 122.820 -0.137 0.000 1.930 165 A HA -0.122 4.195 4.320 -0.005 0.000 0.217 165 A C 1.994 179.537 177.584 -0.069 0.000 1.175 165 A CA 0.959 52.939 52.037 -0.096 0.000 0.627 165 A CB -0.572 18.382 19.000 -0.077 0.000 0.815 165 A HN 0.294 nan 8.150 nan 0.000 0.443 166 L N -0.629 120.554 121.223 -0.067 0.000 2.362 166 L HA -0.079 4.258 4.340 -0.005 0.000 0.219 166 L C 2.446 179.281 176.870 -0.057 0.000 1.134 166 L CA 0.704 55.511 54.840 -0.054 0.000 0.807 166 L CB -0.368 41.661 42.059 -0.050 0.000 0.927 166 L HN 0.499 nan 8.230 nan 0.000 0.447 167 G N -1.237 107.520 108.800 -0.072 0.000 2.920 167 G HA2 0.203 4.160 3.960 -0.005 0.000 0.208 167 G HA3 0.203 4.160 3.960 -0.005 0.000 0.208 167 G C 1.255 176.121 174.900 -0.056 0.000 1.159 167 G CA 0.500 45.557 45.100 -0.073 0.000 0.784 167 G HN 0.486 nan 8.290 nan 0.000 0.535 168 G N -0.901 107.867 108.800 -0.053 0.000 2.157 168 G HA2 -0.145 3.812 3.960 -0.005 0.000 0.248 168 G HA3 -0.145 3.812 3.960 -0.005 0.000 0.248 168 G C 0.513 175.383 174.900 -0.050 0.000 0.979 168 G CA 0.421 45.498 45.100 -0.038 0.000 0.650 168 G HN 1.445 nan 8.290 nan 0.000 0.529 169 V N -1.950 117.914 119.914 -0.084 0.000 2.811 169 V HA 0.523 4.640 4.120 -0.005 0.000 0.302 169 V C 1.142 177.180 176.094 -0.093 0.000 1.063 169 V CA 0.545 62.777 62.300 -0.115 0.000 1.088 169 V CB 1.223 32.941 31.823 -0.173 0.000 0.982 169 V HN 0.096 nan 8.190 nan 0.000 0.485 170 D N 1.887 122.229 120.400 -0.096 0.000 2.249 170 D HA 0.191 4.828 4.640 -0.005 0.000 0.205 170 D C 0.287 176.541 176.300 -0.078 0.000 0.962 170 D CA 1.159 55.118 54.000 -0.068 0.000 0.860 170 D CB 0.805 41.567 40.800 -0.062 0.000 0.955 170 D HN 0.596 nan 8.370 nan 0.000 0.505 171 L N 0.412 121.562 121.223 -0.122 0.000 2.472 171 L HA 0.381 4.718 4.340 -0.005 0.000 0.260 171 L C -1.427 175.349 176.870 -0.156 0.000 0.963 171 L CA -0.533 54.232 54.840 -0.124 0.000 0.829 171 L CB 2.359 44.321 42.059 -0.161 0.000 1.348 171 L HN -0.345 nan 8.230 nan 0.000 0.408 175 D N 1.023 121.487 120.400 0.107 0.000 2.382 175 D HA 0.002 4.639 4.640 -0.005 0.000 0.245 175 D C 1.348 177.578 176.300 -0.118 0.000 1.120 175 D CA 0.055 54.069 54.000 0.025 0.000 0.890 175 D CB 1.029 41.843 40.800 0.022 0.000 1.201 175 D HN 0.339 nan 8.370 nan 0.000 0.433 176 E N 3.765 123.840 120.200 -0.209 0.000 2.333 176 E HA -0.172 4.175 4.350 -0.005 0.000 0.198 176 E C 1.428 177.781 176.600 -0.411 0.000 1.007 176 E CA 0.908 57.071 56.400 -0.396 0.000 0.845 176 E CB -0.520 28.661 29.700 -0.865 0.000 0.766 176 E HN 0.722 nan 8.360 nan 0.000 0.507 177 I N -1.268 119.115 120.570 -0.311 0.000 3.861 177 I HA 0.267 4.434 4.170 -0.005 0.000 0.329 177 I C 0.389 176.197 176.117 -0.515 0.000 1.321 177 I CA -0.698 60.411 61.300 -0.317 0.000 1.126 177 I CB 0.025 38.023 38.000 -0.003 0.000 1.018 177 I HN -0.138 nan 8.210 nan 0.000 0.407 178 L N 2.214 123.111 121.223 -0.543 0.000 2.261 178 L HA 0.519 4.856 4.340 -0.005 0.000 0.289 178 L C -0.856 175.669 176.870 -0.574 0.000 1.059 178 L CA 0.139 54.757 54.840 -0.370 0.000 0.816 178 L CB 0.152 42.103 42.059 -0.181 0.000 1.191 178 L HN -0.035 nan 8.230 nan 0.000 0.431 179 F N 1.832 121.792 119.950 0.016 0.000 2.497 179 F HA 0.422 4.945 4.527 -0.005 0.000 0.331 179 F C 0.633 176.450 175.800 0.030 0.000 1.060 179 F CA -0.816 57.196 58.000 0.020 0.000 0.989 179 F CB 0.609 39.613 39.000 0.007 0.000 1.245 179 F HN 0.392 nan 8.300 nan 0.000 0.486 180 D N 0.680 121.217 120.400 0.228 0.000 2.399 180 D HA 0.355 4.992 4.640 -0.005 0.000 0.241 180 D C -0.169 176.206 176.300 0.125 0.000 1.133 180 D CA 0.388 54.479 54.000 0.153 0.000 0.890 180 D CB 0.947 41.827 40.800 0.133 0.000 1.201 180 D HN 0.551 nan 8.370 nan 0.000 0.432 181 S N 0.354 116.110 115.700 0.093 0.000 2.656 181 S HA 0.263 4.730 4.470 -0.005 0.000 0.273 181 S C 0.618 175.250 174.600 0.053 0.000 1.168 181 S CA -0.785 57.455 58.200 0.067 0.000 0.817 181 S CB 1.804 65.038 63.200 0.058 0.000 1.146 181 S HN 0.184 nan 8.310 nan 0.000 0.475 182 E N 0.553 120.777 120.200 0.039 0.000 2.110 182 E HA 0.006 4.353 4.350 -0.005 0.000 0.193 182 E C 1.792 178.408 176.600 0.028 0.000 0.988 182 E CA 1.055 57.474 56.400 0.032 0.000 0.804 182 E CB -0.521 29.192 29.700 0.023 0.000 0.745 182 E HN 0.609 nan 8.360 nan 0.000 0.458 183 L N -0.270 120.967 121.223 0.023 0.000 2.072 183 L HA -0.053 4.284 4.340 -0.005 0.000 0.205 183 L C 1.154 178.035 176.870 0.019 0.000 1.079 183 L CA 0.757 55.606 54.840 0.016 0.000 0.752 183 L CB 0.000 42.063 42.059 0.007 0.000 0.906 183 L HN -0.005 nan 8.230 nan 0.000 0.436 184 L N 0.401 121.640 121.223 0.026 0.000 2.502 184 L HA 0.349 4.686 4.340 -0.005 0.000 0.247 184 L C -2.424 174.482 176.870 0.060 0.000 1.180 184 L CA -1.748 53.109 54.840 0.028 0.000 0.956 184 L CB 0.805 42.868 42.059 0.007 0.000 1.282 184 L HN -0.166 nan 8.230 nan 0.000 0.470 185 P HA 0.013 nan 4.420 nan 0.000 0.271 185 P C 0.646 178.027 177.300 0.134 0.000 1.216 185 P CA -0.234 62.926 63.100 0.100 0.000 0.776 185 P CB 0.683 32.427 31.700 0.074 0.000 0.881 186 F N 3.576 123.535 119.950 0.014 0.000 2.043 186 F HA -0.267 4.257 4.527 -0.005 0.000 0.297 186 F C 1.837 177.637 175.800 -0.000 0.000 1.118 186 F CA 1.976 59.977 58.000 0.001 0.000 1.202 186 F CB -0.592 38.408 39.000 0.001 0.000 0.965 186 F HN 0.412 nan 8.300 nan 0.000 0.482 187 E N -0.173 120.001 120.200 -0.044 0.000 2.153 187 E HA -0.226 4.121 4.350 -0.005 0.000 0.194 187 E C 2.157 178.684 176.600 -0.122 0.000 0.988 187 E CA 1.378 57.679 56.400 -0.165 0.000 0.811 187 E CB -0.170 29.523 29.700 -0.012 0.000 0.746 187 E HN 0.502 nan 8.360 nan 0.000 0.466 188 K N 0.413 120.787 120.400 -0.044 0.000 2.103 188 K HA -0.035 4.282 4.320 -0.005 0.000 0.204 188 K C 2.173 178.764 176.600 -0.015 0.000 1.052 188 K CA 0.587 56.863 56.287 -0.019 0.000 0.945 188 K CB 0.018 32.523 32.500 0.008 0.000 0.722 188 K HN 0.014 nan 8.250 nan 0.000 0.443 189 R N 0.714 121.205 120.500 -0.016 0.000 2.081 189 R HA -0.081 4.256 4.340 -0.005 0.000 0.235 189 R C 2.306 178.683 176.300 0.127 0.000 1.131 189 R CA 1.221 57.363 56.100 0.070 0.000 0.960 189 R CB -0.426 29.930 30.300 0.094 0.000 0.856 189 R HN 0.208 nan 8.270 nan 0.000 0.436 190 I N 0.576 121.093 120.570 -0.089 0.000 2.163 190 I HA -0.268 3.899 4.170 -0.005 0.000 0.240 190 I C 2.711 178.820 176.117 -0.014 0.000 1.081 190 I CA 1.891 63.124 61.300 -0.111 0.000 1.353 190 I CB -0.669 37.136 38.000 -0.326 0.000 1.054 190 I HN 0.311 nan 8.210 nan 0.000 0.407 191 T N -1.944 112.586 114.554 -0.041 0.000 2.857 191 T HA -0.096 4.251 4.350 -0.005 0.000 0.266 191 T C 1.776 176.481 174.700 0.009 0.000 1.048 191 T CA 0.846 62.937 62.100 -0.016 0.000 1.139 191 T CB -0.240 68.614 68.868 -0.024 0.000 0.874 191 T HN 0.178 nan 8.240 nan 0.000 0.455 192 E N 1.460 121.669 120.200 0.015 0.000 2.072 192 E HA 0.043 4.391 4.350 -0.005 0.000 0.191 192 E C 2.564 179.176 176.600 0.021 0.000 0.985 192 E CA 1.241 57.649 56.400 0.014 0.000 0.801 192 E CB -1.004 28.702 29.700 0.009 0.000 0.750 192 E HN 0.672 nan 8.360 nan 0.000 0.452 193 G N 1.559 110.391 108.800 0.054 0.000 2.418 193 G HA2 -0.306 3.651 3.960 -0.005 0.000 0.217 193 G HA3 -0.306 3.651 3.960 -0.005 0.000 0.217 193 G C 1.644 176.575 174.900 0.052 0.000 1.158 193 G CA 1.027 46.149 45.100 0.036 0.000 0.771 193 G HN 0.243 nan 8.290 nan 0.000 0.545 194 K N 0.521 120.967 120.400 0.077 0.000 2.032 194 K HA -0.009 4.308 4.320 -0.005 0.000 0.209 194 K C 2.819 179.434 176.600 0.025 0.000 1.048 194 K CA 1.324 57.640 56.287 0.048 0.000 0.927 194 K CB -0.334 32.183 32.500 0.027 0.000 0.712 194 K HN 0.204 nan 8.250 nan 0.000 0.441 195 A N 1.032 123.863 122.820 0.018 0.000 1.883 195 A HA -0.142 4.175 4.320 -0.005 0.000 0.217 195 A C 2.337 179.929 177.584 0.013 0.000 1.186 195 A CA 2.027 54.073 52.037 0.014 0.000 0.624 195 A CB -0.897 18.109 19.000 0.010 0.000 0.822 195 A HN 0.504 nan 8.150 nan 0.000 0.444 196 A N -0.367 122.456 122.820 0.005 0.000 1.902 196 A HA -0.045 4.272 4.320 -0.005 0.000 0.217 196 A C 2.167 179.751 177.584 -0.000 0.000 1.181 196 A CA 1.531 53.566 52.037 -0.004 0.000 0.623 196 A CB -0.591 18.398 19.000 -0.020 0.000 0.818 196 A HN 0.481 nan 8.150 nan 0.000 0.443 197 L N -1.143 120.083 121.223 0.004 0.000 2.141 197 L HA -0.182 4.155 4.340 -0.005 0.000 0.209 197 L C 2.804 179.704 176.870 0.050 0.000 1.094 197 L CA 1.472 56.321 54.840 0.014 0.000 0.763 197 L CB -0.384 41.682 42.059 0.013 0.000 0.908 197 L HN 0.446 nan 8.230 nan 0.000 0.437 198 Q N 0.721 120.551 119.800 0.050 0.000 2.119 198 Q HA -0.195 4.142 4.340 -0.005 0.000 0.201 198 Q C 1.909 177.971 176.000 0.102 0.000 0.972 198 Q CA 1.575 57.428 55.803 0.084 0.000 0.847 198 Q CB -0.016 28.753 28.738 0.051 0.000 0.903 198 Q HN 0.448 nan 8.270 nan 0.000 0.433 199 E N -0.916 119.316 120.200 0.053 0.000 2.085 199 E HA -0.156 4.191 4.350 -0.005 0.000 0.194 199 E C 1.933 178.548 176.600 0.025 0.000 0.994 199 E CA 1.473 57.892 56.400 0.033 0.000 0.801 199 E CB -0.022 29.686 29.700 0.012 0.000 0.743 199 E HN 0.190 nan 8.360 nan 0.000 0.453 200 V N 0.736 120.667 119.914 0.029 0.000 2.343 200 V HA -0.269 3.848 4.120 -0.005 0.000 0.247 200 V C 2.056 178.162 176.094 0.020 0.000 1.051 200 V CA 1.846 64.153 62.300 0.012 0.000 1.036 200 V CB -0.572 31.256 31.823 0.007 0.000 0.654 200 V HN 0.318 nan 8.190 nan 0.000 0.451 201 Y N 1.394 121.681 120.300 -0.021 0.000 2.181 201 Y HA -0.204 4.343 4.550 -0.005 0.000 0.288 201 Y C 2.592 178.484 175.900 -0.014 0.000 1.146 201 Y CA 1.821 59.911 58.100 -0.017 0.000 1.164 201 Y CB -0.191 38.261 38.460 -0.014 0.000 0.982 201 Y HN 0.250 nan 8.280 nan 0.000 0.515 202 E N 0.396 120.557 120.200 -0.064 0.000 2.130 202 E HA -0.280 4.067 4.350 -0.005 0.000 0.196 202 E C 2.040 178.535 176.600 -0.174 0.000 0.998 202 E CA 1.983 58.312 56.400 -0.119 0.000 0.806 202 E CB -0.353 29.346 29.700 -0.001 0.000 0.738 202 E HN 0.876 nan 8.360 nan 0.000 0.459 203 Q N -0.393 119.327 119.800 -0.134 0.000 2.349 203 Q HA 0.019 4.356 4.340 -0.005 0.000 0.209 203 Q C 1.748 177.668 176.000 -0.132 0.000 0.920 203 Q CA 1.457 57.193 55.803 -0.113 0.000 0.901 203 Q CB -0.022 28.676 28.738 -0.066 0.000 1.021 203 Q HN 0.198 nan 8.270 nan 0.000 0.519 204 T N -4.494 109.970 114.554 -0.150 0.000 2.985 204 T HA 0.429 4.776 4.350 -0.005 0.000 0.254 204 T C 1.348 175.944 174.700 -0.173 0.000 1.021 204 T CA 0.426 62.450 62.100 -0.127 0.000 0.957 204 T CB 0.818 69.641 68.868 -0.075 0.000 1.047 204 T HN 0.568 nan 8.240 nan 0.000 0.511 205 G N 1.395 109.989 108.800 -0.342 0.000 2.159 205 G HA2 -0.251 3.706 3.960 -0.005 0.000 0.256 205 G HA3 -0.251 3.706 3.960 -0.005 0.000 0.256 205 G C -0.056 174.804 174.900 -0.068 0.000 0.977 205 G CA 0.280 45.120 45.100 -0.433 0.000 0.652 205 G HN 0.832 nan 8.290 nan 0.000 0.531 206 K N 0.157 120.570 120.400 0.021 0.000 2.156 206 K HA 0.712 5.029 4.320 -0.005 0.000 0.271 206 K C 0.178 176.928 176.600 0.251 0.000 0.995 206 K CA -1.288 55.074 56.287 0.126 0.000 0.890 206 K CB 0.785 33.309 32.500 0.039 0.000 1.073 206 K HN 0.200 nan 8.250 nan 0.000 0.454 207 R N 2.089 122.701 120.500 0.188 0.000 2.294 207 R HA 0.472 4.809 4.340 -0.005 0.000 0.319 207 R C -1.192 175.131 176.300 0.038 0.000 0.984 207 R CA -0.056 56.102 56.100 0.097 0.000 0.861 207 R CB 0.859 31.162 30.300 0.005 0.000 1.104 207 R HN 0.703 nan 8.270 nan 0.000 0.451 208 T N 5.337 119.903 114.554 0.020 0.000 2.886 208 T HA 0.470 4.817 4.350 -0.005 0.000 0.292 208 T C -0.513 174.186 174.700 -0.002 0.000 1.012 208 T CA -0.658 61.438 62.100 -0.008 0.000 0.982 208 T CB 1.012 69.862 68.868 -0.030 0.000 1.018 208 T HN 0.355 nan 8.240 nan 0.000 0.451 209 L N 2.310 123.532 121.223 -0.002 0.000 2.352 209 L HA 0.596 4.933 4.340 -0.005 0.000 0.269 209 L C -0.998 175.924 176.870 0.086 0.000 1.034 209 L CA -1.226 53.630 54.840 0.027 0.000 0.806 209 L CB 0.908 42.972 42.059 0.010 0.000 1.244 209 L HN 0.571 nan 8.230 nan 0.000 0.447 210 Y N 1.565 121.835 120.300 -0.049 0.000 2.326 210 Y HA 0.619 5.166 4.550 -0.005 0.000 0.331 210 Y C -0.438 175.443 175.900 -0.031 0.000 0.962 210 Y CA -1.837 56.247 58.100 -0.026 0.000 1.167 210 Y CB 1.478 39.947 38.460 0.014 0.000 1.148 210 Y HN 0.540 nan 8.280 nan 0.000 0.463 211 A N 6.815 129.664 122.820 0.049 0.000 2.294 211 A HA 0.562 4.879 4.320 -0.005 0.000 0.316 211 A C -1.053 176.356 177.584 -0.292 0.000 1.359 211 A CA -0.534 51.412 52.037 -0.152 0.000 0.956 211 A CB 0.064 18.980 19.000 -0.141 0.000 1.155 211 A HN 0.668 nan 8.150 nan 0.000 0.544 212 V N 3.769 123.387 119.914 -0.492 0.000 2.509 212 V HA 0.234 4.351 4.120 -0.005 0.000 0.284 212 V C 0.196 176.261 176.094 -0.047 0.000 1.047 212 V CA -0.823 61.202 62.300 -0.459 0.000 0.952 212 V CB 1.249 32.700 31.823 -0.619 0.000 0.988 212 V HN 0.917 nan 8.190 nan 0.000 0.469 213 N N 4.733 123.448 118.700 0.025 0.000 2.468 213 N HA 0.118 4.856 4.740 -0.005 0.000 0.265 213 N C -0.756 174.825 175.510 0.118 0.000 1.199 213 N CA 0.057 53.137 53.050 0.050 0.000 0.928 213 N CB 0.739 39.195 38.487 -0.052 0.000 1.059 213 N HN 0.636 nan 8.380 nan 0.000 0.467 214 L N 4.022 125.293 121.223 0.080 0.000 2.272 214 L HA 0.435 4.772 4.340 -0.005 0.000 0.284 214 L C 0.261 177.132 176.870 0.002 0.000 1.045 214 L CA -0.081 54.713 54.840 -0.076 0.000 0.842 214 L CB 0.294 42.317 42.059 -0.059 0.000 1.224 214 L HN 0.720 nan 8.230 nan 0.000 0.430 215 T N 1.252 115.773 114.554 -0.054 0.000 2.676 215 T HA 0.998 5.345 4.350 -0.005 0.000 0.269 215 T C 0.309 175.081 174.700 0.120 0.000 0.952 215 T CA -0.365 61.837 62.100 0.169 0.000 1.040 215 T CB 1.186 70.263 68.868 0.348 0.000 1.352 215 T HN 1.338 nan 8.240 nan 0.000 0.554 216 G N 0.350 109.289 108.800 0.232 0.000 2.610 216 G HA2 -0.025 3.932 3.960 -0.005 0.000 0.304 216 G HA3 -0.025 3.932 3.960 -0.005 0.000 0.304 216 G C -0.949 174.070 174.900 0.198 0.000 1.309 216 G CA -0.608 44.571 45.100 0.133 0.000 0.906 216 G HN 0.884 nan 8.290 nan 0.000 0.521 217 K N 0.060 120.534 120.400 0.123 0.000 2.355 217 K HA 0.377 4.694 4.320 -0.005 0.000 0.270 217 K C 1.837 178.532 176.600 0.158 0.000 1.003 217 K CA 0.334 56.712 56.287 0.151 0.000 0.957 217 K CB 0.481 33.049 32.500 0.113 0.000 0.939 217 K HN 0.545 nan 8.250 nan 0.000 0.482 218 T N 1.910 116.568 114.554 0.173 0.000 2.624 218 T HA -0.190 4.158 4.350 -0.005 0.000 0.268 218 T C 1.165 175.717 174.700 -0.247 0.000 1.041 218 T CA 1.658 63.740 62.100 -0.031 0.000 1.159 218 T CB -0.250 68.516 68.868 -0.169 0.000 0.863 218 T HN 0.427 nan 8.240 nan 0.000 0.434 219 F N 0.818 120.797 119.950 0.049 0.000 2.795 219 F HA 0.399 4.923 4.527 -0.005 0.000 0.303 219 F C 1.883 177.682 175.800 -0.002 0.000 1.186 219 F CA -0.141 57.869 58.000 0.017 0.000 1.415 219 F CB -0.249 38.762 39.000 0.018 0.000 1.106 219 F HN 0.162 nan 8.300 nan 0.000 0.558 220 A N -1.101 121.765 122.820 0.076 0.000 2.419 220 A HA 0.283 4.600 4.320 -0.005 0.000 0.233 220 A C 1.843 179.398 177.584 -0.049 0.000 1.217 220 A CA -0.071 51.984 52.037 0.031 0.000 0.944 220 A CB -0.277 18.742 19.000 0.032 0.000 1.025 220 A HN 0.328 nan 8.150 nan 0.000 0.524 221 L N -0.145 121.018 121.223 -0.100 0.000 2.017 221 L HA -0.171 4.166 4.340 -0.005 0.000 0.208 221 L C 2.408 179.176 176.870 -0.170 0.000 1.073 221 L CA 1.595 56.323 54.840 -0.187 0.000 0.745 221 L CB -0.385 41.505 42.059 -0.280 0.000 0.894 221 L HN 0.308 nan 8.230 nan 0.000 0.432 222 K N -0.196 120.125 120.400 -0.133 0.000 2.057 222 K HA -0.170 4.147 4.320 -0.005 0.000 0.207 222 K C 1.751 178.318 176.600 -0.054 0.000 1.049 222 K CA 1.489 57.716 56.287 -0.100 0.000 0.931 222 K CB -0.176 32.280 32.500 -0.073 0.000 0.714 222 K HN 0.286 nan 8.250 nan 0.000 0.440 223 D N 0.994 121.376 120.400 -0.030 0.000 2.117 223 D HA -0.165 4.472 4.640 -0.005 0.000 0.198 223 D C 1.837 178.143 176.300 0.009 0.000 0.982 223 D CA 1.305 55.303 54.000 -0.003 0.000 0.828 223 D CB -0.035 40.771 40.800 0.010 0.000 0.967 223 D HN 0.376 nan 8.370 nan 0.000 0.464 224 K N 0.825 121.214 120.400 -0.018 0.000 2.155 224 K HA 0.109 4.426 4.320 -0.005 0.000 0.203 224 K C 2.076 178.745 176.600 0.116 0.000 1.052 224 K CA 1.094 57.397 56.287 0.027 0.000 0.948 224 K CB -0.039 32.368 32.500 -0.154 0.000 0.728 224 K HN -0.028 nan 8.250 nan 0.000 0.448 225 A N 2.369 125.194 122.820 0.009 0.000 1.930 225 A HA -0.135 4.182 4.320 -0.005 0.000 0.217 225 A C 2.180 179.794 177.584 0.049 0.000 1.175 225 A CA 1.499 53.558 52.037 0.037 0.000 0.627 225 A CB -0.429 18.525 19.000 -0.076 0.000 0.815 225 A HN 0.423 nan 8.150 nan 0.000 0.443 226 K N -0.769 119.645 120.400 0.024 0.000 2.057 226 K HA -0.162 4.155 4.320 -0.005 0.000 0.207 226 K C 2.201 178.824 176.600 0.040 0.000 1.049 226 K CA 1.065 57.365 56.287 0.021 0.000 0.931 226 K CB -0.147 32.359 32.500 0.010 0.000 0.714 226 K HN 0.202 nan 8.250 nan 0.000 0.440 227 R N 0.336 120.876 120.500 0.066 0.000 2.081 227 R HA -0.075 4.262 4.340 -0.005 0.000 0.235 227 R C 2.297 178.629 176.300 0.053 0.000 1.131 227 R CA 1.353 57.494 56.100 0.069 0.000 0.960 227 R CB -0.824 29.539 30.300 0.105 0.000 0.856 227 R HN 0.348 nan 8.270 nan 0.000 0.436 228 A N 1.102 123.982 122.820 0.100 0.000 1.908 228 A HA -0.124 4.193 4.320 -0.005 0.000 0.218 228 A C 2.397 179.970 177.584 -0.018 0.000 1.181 228 A CA 2.003 54.041 52.037 0.002 0.000 0.627 228 A CB -0.634 18.425 19.000 0.098 0.000 0.818 228 A HN 0.359 nan 8.150 nan 0.000 0.445 229 A N -0.066 122.762 122.820 0.015 0.000 1.902 229 A HA -0.195 4.122 4.320 -0.005 0.000 0.217 229 A C 1.899 179.483 177.584 0.000 0.000 1.181 229 A CA 1.677 53.719 52.037 0.009 0.000 0.623 229 A CB -0.583 18.430 19.000 0.021 0.000 0.818 229 A HN 0.665 nan 8.150 nan 0.000 0.443 230 E N -0.189 120.013 120.200 0.003 0.000 2.153 230 E HA -0.098 4.249 4.350 -0.005 0.000 0.194 230 E C 1.587 178.180 176.600 -0.011 0.000 0.988 230 E CA 0.950 57.350 56.400 0.000 0.000 0.811 230 E CB -0.265 29.439 29.700 0.006 0.000 0.746 230 E HN 0.619 nan 8.360 nan 0.000 0.466 231 L N -0.183 121.025 121.223 -0.025 0.000 2.599 231 L HA 0.101 4.438 4.340 -0.005 0.000 0.230 231 L C 1.203 178.046 176.870 -0.045 0.000 1.141 231 L CA 0.363 55.178 54.840 -0.041 0.000 0.877 231 L CB -0.082 41.934 42.059 -0.073 0.000 1.009 231 L HN 0.288 nan 8.230 nan 0.000 0.447 232 G N 0.431 109.208 108.800 -0.038 0.000 2.149 232 G HA2 -0.246 3.711 3.960 -0.005 0.000 0.235 232 G HA3 -0.246 3.711 3.960 -0.005 0.000 0.235 232 G C 0.394 175.263 174.900 -0.052 0.000 1.018 232 G CA -0.022 45.056 45.100 -0.037 0.000 0.728 232 G HN 0.492 nan 8.290 nan 0.000 0.508 233 A N -0.256 122.518 122.820 -0.076 0.000 2.531 233 A HA 0.470 4.787 4.320 -0.005 0.000 0.236 233 A C 1.350 178.889 177.584 -0.076 0.000 1.062 233 A CA 0.990 52.962 52.037 -0.108 0.000 0.760 233 A CB 0.344 19.253 19.000 -0.152 0.000 0.995 233 A HN 0.294 nan 8.150 nan 0.000 0.501 234 D N 0.321 120.677 120.400 -0.073 0.000 2.110 234 D HA 0.091 4.728 4.640 -0.005 0.000 0.202 234 D C 0.302 176.569 176.300 -0.055 0.000 0.975 234 D CA 1.566 55.532 54.000 -0.056 0.000 0.839 234 D CB 0.041 40.829 40.800 -0.020 0.000 0.996 234 D HN 0.276 nan 8.370 nan 0.000 0.464 235 V N 0.605 120.482 119.914 -0.062 0.000 3.087 235 V HA 0.324 4.441 4.120 -0.005 0.000 0.306 235 V C -0.779 175.286 176.094 -0.049 0.000 1.187 235 V CA -0.804 61.483 62.300 -0.022 0.000 0.999 235 V CB 2.984 34.787 31.823 -0.034 0.000 1.049 235 V HN -0.056 nan 8.190 nan 0.000 0.431 236 L N 3.907 125.138 121.223 0.012 0.000 2.298 236 L HA 0.539 4.876 4.340 -0.005 0.000 0.284 236 L C -0.638 176.265 176.870 0.055 0.000 1.013 236 L CA -0.596 54.259 54.840 0.025 0.000 0.824 236 L CB 1.543 43.614 42.059 0.021 0.000 1.221 236 L HN 0.470 nan 8.230 nan 0.000 0.418 237 L N 4.018 125.272 121.223 0.051 0.000 2.331 237 L HA 0.473 4.810 4.340 -0.005 0.000 0.278 237 L C -1.105 175.885 176.870 0.201 0.000 1.106 237 L CA 0.459 55.352 54.840 0.089 0.000 0.824 237 L CB 0.777 42.861 42.059 0.043 0.000 1.142 237 L HN 0.389 nan 8.230 nan 0.000 0.443 238 F N 4.282 124.241 119.950 0.015 0.000 2.585 238 F HA 0.429 4.953 4.527 -0.005 0.000 0.319 238 F C -0.108 175.733 175.800 0.068 0.000 1.165 238 F CA -0.946 57.048 58.000 -0.010 0.000 0.949 238 F CB 1.251 40.205 39.000 -0.076 0.000 1.218 238 F HN 0.596 nan 8.300 nan 0.000 0.453 239 N N 5.274 123.765 118.700 -0.348 0.000 3.193 239 N HA 0.057 4.794 4.740 -0.005 0.000 0.312 239 N C 1.425 176.657 175.510 -0.464 0.000 1.261 239 N CA -0.166 52.761 53.050 -0.204 0.000 1.208 239 N CB 0.734 39.211 38.487 -0.017 0.000 1.471 239 N HN 0.568 nan 8.380 nan 0.000 0.548 240 V N 0.738 120.240 119.914 -0.687 0.000 2.317 240 V HA -0.321 3.796 4.120 -0.005 0.000 0.251 240 V C 1.273 177.138 176.094 -0.381 0.000 1.065 240 V CA 1.996 63.894 62.300 -0.669 0.000 1.049 240 V CB -0.458 31.066 31.823 -0.497 0.000 0.651 240 V HN 0.483 nan 8.190 nan 0.000 0.450 241 F N 0.740 120.669 119.950 -0.035 0.000 2.408 241 F HA 0.075 4.599 4.527 -0.005 0.000 0.300 241 F C 2.239 178.112 175.800 0.122 0.000 1.090 241 F CA 1.127 59.194 58.000 0.112 0.000 1.427 241 F CB -0.800 38.352 39.000 0.254 0.000 1.070 241 F HN 0.273 nan 8.300 nan 0.000 0.549 242 A N -2.162 120.693 122.820 0.059 0.000 2.218 242 A HA 0.051 4.368 4.320 -0.005 0.000 0.209 242 A C 1.266 178.616 177.584 -0.391 0.000 1.168 242 A CA 0.632 52.520 52.037 -0.249 0.000 0.804 242 A CB -0.562 18.224 19.000 -0.356 0.000 0.834 242 A HN 0.426 nan 8.150 nan 0.000 0.482 243 Y N -0.944 119.278 120.300 -0.130 0.000 2.581 243 Y HA 0.432 4.979 4.550 -0.005 0.000 0.271 243 Y C 1.239 177.134 175.900 -0.008 0.000 1.100 243 Y CA 0.333 58.392 58.100 -0.069 0.000 1.281 243 Y CB 0.680 39.115 38.460 -0.041 0.000 1.237 243 Y HN 0.394 nan 8.280 nan 0.000 0.514 244 G N -0.061 108.822 108.800 0.140 0.000 2.841 244 G HA2 -0.132 3.825 3.960 -0.005 0.000 0.684 244 G HA3 -0.132 3.825 3.960 -0.005 0.000 0.684 244 G C 0.024 174.948 174.900 0.040 0.000 1.273 244 G CA -0.532 44.632 45.100 0.107 0.000 0.811 244 G HN 0.150 nan 8.290 nan 0.000 0.631 245 L N 0.671 121.876 121.223 -0.031 0.000 2.081 245 L HA -0.096 4.242 4.340 -0.005 0.000 0.212 245 L C 2.571 179.433 176.870 -0.012 0.000 1.080 245 L CA 2.192 56.976 54.840 -0.093 0.000 0.754 245 L CB -0.207 41.780 42.059 -0.119 0.000 0.893 245 L HN 0.811 nan 8.230 nan 0.000 0.433 246 D N -0.464 119.958 120.400 0.037 0.000 2.178 246 D HA -0.159 4.478 4.640 -0.005 0.000 0.201 246 D C 2.060 178.367 176.300 0.011 0.000 0.980 246 D CA 0.868 54.894 54.000 0.043 0.000 0.842 246 D CB 0.222 41.062 40.800 0.067 0.000 0.948 246 D HN 0.049 nan 8.370 nan 0.000 0.472 247 V N 0.370 120.302 119.914 0.030 0.000 2.427 247 V HA -0.160 3.957 4.120 -0.005 0.000 0.248 247 V C 2.377 178.429 176.094 -0.070 0.000 1.051 247 V CA 1.275 63.569 62.300 -0.010 0.000 1.048 247 V CB -0.530 31.347 31.823 0.091 0.000 0.666 247 V HN 0.312 nan 8.190 nan 0.000 0.456 248 L N 0.319 121.563 121.223 0.034 0.000 2.042 248 L HA -0.224 4.113 4.340 -0.005 0.000 0.210 248 L C 2.462 179.268 176.870 -0.106 0.000 1.076 248 L CA 2.317 57.134 54.840 -0.038 0.000 0.749 248 L CB -0.892 41.191 42.059 0.040 0.000 0.893 248 L HN 0.402 nan 8.230 nan 0.000 0.432 249 Q N -0.793 118.966 119.800 -0.068 0.000 2.096 249 Q HA -0.221 4.116 4.340 -0.005 0.000 0.204 249 Q C 2.127 178.074 176.000 -0.089 0.000 0.982 249 Q CA 1.886 57.651 55.803 -0.064 0.000 0.850 249 Q CB -0.221 28.513 28.738 -0.006 0.000 0.901 249 Q HN 0.678 nan 8.270 nan 0.000 0.422 250 A N 0.689 123.451 122.820 -0.097 0.000 1.902 250 A HA -0.160 4.157 4.320 -0.005 0.000 0.217 250 A C 2.038 179.537 177.584 -0.142 0.000 1.181 250 A CA 1.236 53.206 52.037 -0.110 0.000 0.623 250 A CB -0.688 18.245 19.000 -0.112 0.000 0.818 250 A HN 0.450 nan 8.150 nan 0.000 0.443 251 L N -1.016 120.086 121.223 -0.202 0.000 2.046 251 L HA -0.183 4.154 4.340 -0.005 0.000 0.208 251 L C 2.752 179.527 176.870 -0.158 0.000 1.077 251 L CA 1.716 56.417 54.840 -0.231 0.000 0.747 251 L CB -0.462 41.361 42.059 -0.394 0.000 0.896 251 L HN 0.454 nan 8.230 nan 0.000 0.432 252 R N 1.027 121.443 120.500 -0.139 0.000 2.081 252 R HA -0.165 4.172 4.340 -0.005 0.000 0.235 252 R C 1.842 178.080 176.300 -0.103 0.000 1.131 252 R CA 1.618 57.654 56.100 -0.107 0.000 0.960 252 R CB -0.368 29.870 30.300 -0.103 0.000 0.856 252 R HN 0.386 nan 8.270 nan 0.000 0.436 253 E N 0.369 120.507 120.200 -0.102 0.000 2.427 253 E HA -0.059 4.288 4.350 -0.005 0.000 0.196 253 E C -0.302 176.248 176.600 -0.083 0.000 1.028 253 E CA 0.143 56.486 56.400 -0.094 0.000 0.864 253 E CB -0.042 29.601 29.700 -0.095 0.000 0.813 253 E HN 0.309 nan 8.360 nan 0.000 0.514 254 D N 1.595 121.946 120.400 -0.082 0.000 2.338 254 D HA -0.037 4.600 4.640 -0.005 0.000 0.255 254 D C 0.723 176.991 176.300 -0.054 0.000 1.237 254 D CA 0.127 54.087 54.000 -0.066 0.000 0.883 254 D CB 0.775 41.532 40.800 -0.071 0.000 1.087 254 D HN -0.074 nan 8.370 nan 0.000 0.485 255 E N 2.731 122.903 120.200 -0.047 0.000 2.338 255 E HA -0.128 4.220 4.350 -0.005 0.000 0.197 255 E C 0.916 177.503 176.600 -0.021 0.000 1.007 255 E CA 0.586 56.963 56.400 -0.037 0.000 0.849 255 E CB 0.249 29.927 29.700 -0.037 0.000 0.774 255 E HN 0.687 nan 8.360 nan 0.000 0.506 256 E N -0.228 119.960 120.200 -0.020 0.000 2.478 256 E HA 0.065 4.412 4.350 -0.005 0.000 0.194 256 E C 1.601 178.199 176.600 -0.003 0.000 1.045 256 E CA 0.016 56.411 56.400 -0.009 0.000 0.868 256 E CB 0.346 30.040 29.700 -0.010 0.000 0.885 256 E HN 0.262 nan 8.360 nan 0.000 0.505 257 I N 0.343 120.907 120.570 -0.009 0.000 3.649 257 I HA 0.080 4.247 4.170 -0.005 0.000 0.234 257 I C 1.042 177.180 176.117 0.035 0.000 1.053 257 I CA 0.276 61.577 61.300 0.001 0.000 1.538 257 I CB -0.100 37.882 38.000 -0.030 0.000 1.445 257 I HN -0.084 nan 8.210 nan 0.000 0.464 258 A N 1.504 124.348 122.820 0.040 0.000 2.640 258 A HA -0.130 4.187 4.320 -0.005 0.000 0.300 258 A C -0.162 177.580 177.584 0.263 0.000 1.499 258 A CA 0.331 52.431 52.037 0.106 0.000 0.759 258 A CB -2.186 16.858 19.000 0.073 0.000 1.048 258 A HN 0.186 nan 8.150 nan 0.000 0.450 259 V N 0.086 120.137 119.914 0.229 0.000 2.680 259 V HA 0.528 4.645 4.120 -0.005 0.000 0.309 259 V C -2.068 174.186 176.094 0.267 0.000 1.052 259 V CA -1.835 60.578 62.300 0.190 0.000 0.908 259 V CB 2.035 33.899 31.823 0.068 0.000 1.001 259 V HN 0.338 nan 8.190 nan 0.000 0.431 260 P HA 0.227 nan 4.420 nan 0.000 0.267 260 P C -0.874 176.568 177.300 0.236 0.000 1.200 260 P CA 0.308 63.553 63.100 0.242 0.000 0.772 260 P CB 0.411 32.161 31.700 0.085 0.000 0.855 261 I N 2.579 123.312 120.570 0.272 0.000 2.436 261 I HA 0.407 4.574 4.170 -0.005 0.000 0.289 261 I C 0.074 176.399 176.117 0.347 0.000 1.010 261 I CA -0.659 60.769 61.300 0.213 0.000 1.098 261 I CB 1.611 39.671 38.000 0.100 0.000 1.266 261 I HN 0.235 nan 8.210 nan 0.000 0.434 262 M N 6.398 126.160 119.600 0.270 0.000 2.066 262 M HA 0.622 5.099 4.480 -0.005 0.000 0.340 262 M C -0.561 175.859 176.300 0.199 0.000 1.053 262 M CA -0.419 55.021 55.300 0.234 0.000 0.983 262 M CB 1.088 33.624 32.600 -0.107 0.000 1.520 262 M HN 0.700 nan 8.290 nan 0.000 0.428 263 A N 4.607 127.552 122.820 0.207 0.000 2.320 263 A HA 0.299 4.616 4.320 -0.005 0.000 0.287 263 A C -0.784 176.900 177.584 0.167 0.000 1.181 263 A CA -0.383 51.753 52.037 0.165 0.000 0.831 263 A CB 0.115 19.172 19.000 0.096 0.000 1.102 263 A HN 0.903 nan 8.150 nan 0.000 0.513 264 H N 4.543 123.671 119.070 0.097 0.000 2.487 264 H HA 0.321 4.874 4.556 -0.004 0.000 0.333 264 H C -1.872 173.602 175.328 0.244 0.000 1.114 264 H CA -1.673 54.448 56.048 0.122 0.000 1.310 264 H CB 2.073 31.882 29.762 0.078 0.000 1.462 264 H HN 0.435 nan 8.280 nan 0.000 0.516 265 P HA 0.043 nan 4.420 nan 0.000 0.245 265 P C -0.000 177.478 177.300 0.296 0.000 1.212 265 P CA 0.001 63.231 63.100 0.218 0.000 0.774 265 P CB 0.009 31.718 31.700 0.015 0.000 0.999 266 A N 0.165 123.335 122.820 0.584 0.000 2.584 266 A HA 0.074 4.391 4.320 -0.005 0.000 0.239 266 A C 0.596 178.434 177.584 0.422 0.000 1.043 266 A CA 0.269 52.564 52.037 0.430 0.000 0.756 266 A CB -1.351 17.845 19.000 0.327 0.000 0.963 266 A HN 0.296 nan 8.150 nan 0.000 0.511 267 F N 1.285 121.305 119.950 0.116 0.000 2.590 267 F HA -0.347 4.178 4.527 -0.004 0.000 0.471 267 F C 1.934 177.730 175.800 -0.006 0.000 0.551 267 F CA 2.132 60.183 58.000 0.085 0.000 1.228 267 F CB -1.765 37.324 39.000 0.147 0.000 1.862 267 F HN 0.861 nan 8.300 nan 0.000 0.271 268 S N -0.240 115.293 115.700 -0.278 0.000 2.419 268 S HA 0.017 4.484 4.470 -0.005 0.000 0.233 268 S C 2.181 176.605 174.600 -0.293 0.000 1.016 268 S CA 1.135 58.983 58.200 -0.586 0.000 0.974 268 S CB -1.059 61.528 63.200 -1.022 0.000 0.786 268 S HN 0.887 nan 8.310 nan 0.000 0.492 269 G N 0.742 109.406 108.800 -0.227 0.000 2.625 269 G HA2 0.234 4.191 3.960 -0.005 0.000 0.214 269 G HA3 0.234 4.191 3.960 -0.005 0.000 0.214 269 G C 1.348 176.113 174.900 -0.226 0.000 1.132 269 G CA 0.431 45.431 45.100 -0.167 0.000 0.782 269 G HN 0.756 nan 8.290 nan 0.000 0.538 270 A N -0.408 122.163 122.820 -0.415 0.000 2.119 270 A HA 0.371 4.689 4.320 -0.005 0.000 0.216 270 A C 2.178 179.575 177.584 -0.312 0.000 1.152 270 A CA 1.189 52.960 52.037 -0.444 0.000 0.708 270 A CB 0.137 18.572 19.000 -0.942 0.000 0.805 270 A HN 0.235 nan 8.150 nan 0.000 0.460 271 V N -0.880 118.850 119.914 -0.307 0.000 3.307 271 V HA -0.057 4.061 4.120 -0.005 0.000 0.244 271 V C 2.594 178.544 176.094 -0.241 0.000 1.196 271 V CA 1.819 63.940 62.300 -0.299 0.000 1.132 271 V CB 0.070 31.573 31.823 -0.533 0.000 0.875 271 V HN 0.726 nan 8.190 nan 0.000 0.468 272 T N -1.268 113.176 114.554 -0.182 0.000 3.035 272 T HA 0.054 4.401 4.350 -0.005 0.000 0.259 272 T C 0.254 174.903 174.700 -0.085 0.000 1.078 272 T CA 0.767 62.797 62.100 -0.117 0.000 1.132 272 T CB -0.966 67.871 68.868 -0.052 0.000 0.900 272 T HN 0.449 nan 8.240 nan 0.000 0.480 273 P HA 0.080 nan 4.420 nan 0.000 0.219 273 P C 0.957 178.201 177.300 -0.093 0.000 1.150 273 P CA 0.535 63.590 63.100 -0.075 0.000 0.814 273 P CB -0.140 31.522 31.700 -0.063 0.000 0.787 274 S N 0.020 115.680 115.700 -0.066 0.000 2.563 274 S HA -0.058 4.409 4.470 -0.005 0.000 0.284 274 S C 1.336 175.780 174.600 -0.259 0.000 1.331 274 S CA -0.220 57.923 58.200 -0.095 0.000 1.047 274 S CB 0.385 63.648 63.200 0.105 0.000 0.859 274 S HN 0.184 nan 8.310 nan 0.000 0.514 275 E N 1.996 121.848 120.200 -0.579 0.000 2.299 275 E HA -0.009 4.338 4.350 -0.005 0.000 0.193 275 E C 0.385 176.498 176.600 -0.812 0.000 0.998 275 E CA 0.808 56.730 56.400 -0.797 0.000 0.851 275 E CB 0.034 29.000 29.700 -1.224 0.000 0.795 275 E HN 0.834 nan 8.360 nan 0.000 0.492 276 F N -1.427 118.334 119.950 -0.316 0.000 2.727 276 F HA 0.276 4.799 4.527 -0.006 0.000 0.302 276 F C 0.007 175.458 175.800 -0.582 0.000 1.107 276 F CA -0.372 57.275 58.000 -0.589 0.000 1.277 276 F CB 0.240 38.648 39.000 -0.986 0.000 1.079 276 F HN -0.125 nan 8.300 nan 0.000 0.594 277 Y N -0.608 119.813 120.300 0.201 0.000 2.790 277 Y HA 0.725 5.274 4.550 -0.002 0.000 0.323 277 Y C 0.936 176.908 175.900 0.121 0.000 1.230 277 Y CA -1.541 56.676 58.100 0.195 0.000 1.121 277 Y CB 0.355 38.915 38.460 0.167 0.000 1.328 277 Y HN 0.067 nan 8.280 nan 0.000 0.514 278 G N -0.324 108.700 108.800 0.375 0.000 2.593 278 G HA2 -0.052 3.905 3.960 -0.005 0.000 0.237 278 G HA3 -0.052 3.905 3.960 -0.005 0.000 0.237 278 G C -1.699 173.183 174.900 -0.030 0.000 1.312 278 G CA -0.426 44.771 45.100 0.162 0.000 0.896 278 G HN 0.869 nan 8.290 nan 0.000 0.574 279 V N 0.572 120.347 119.914 -0.232 0.000 2.588 279 V HA 0.740 4.857 4.120 -0.005 0.000 0.304 279 V C 0.902 176.886 176.094 -0.184 0.000 1.042 279 V CA -0.124 61.984 62.300 -0.321 0.000 0.877 279 V CB 1.215 32.730 31.823 -0.512 0.000 0.996 279 V HN 2.172 nan 8.190 nan 0.000 0.425 280 A N 6.849 129.594 122.820 -0.125 0.000 2.498 280 A HA 0.424 4.741 4.320 -0.005 0.000 0.239 280 A C -0.811 176.783 177.584 0.015 0.000 1.068 280 A CA -0.725 51.274 52.037 -0.063 0.000 0.766 280 A CB 0.008 18.965 19.000 -0.071 0.000 1.003 280 A HN 0.720 nan 8.150 nan 0.000 0.497 281 P HA -0.212 nan 4.420 nan 0.000 0.218 281 P C 1.517 178.845 177.300 0.046 0.000 1.148 281 P CA 1.954 65.093 63.100 0.065 0.000 0.822 281 P CB -0.125 31.586 31.700 0.017 0.000 0.784 282 S N -0.611 115.086 115.700 -0.004 0.000 2.400 282 S HA -0.158 4.310 4.470 -0.005 0.000 0.232 282 S C 1.976 176.591 174.600 0.024 0.000 1.025 282 S CA 1.174 59.359 58.200 -0.025 0.000 0.993 282 S CB -1.461 61.714 63.200 -0.042 0.000 0.808 282 S HN 0.077 nan 8.310 nan 0.000 0.478 283 L N 0.178 121.441 121.223 0.067 0.000 2.145 283 L HA 0.355 4.692 4.340 -0.005 0.000 0.201 283 L C 2.262 179.290 176.870 0.264 0.000 1.075 283 L CA 1.142 56.055 54.840 0.122 0.000 0.773 283 L CB -0.890 41.215 42.059 0.076 0.000 0.936 283 L HN 0.503 nan 8.230 nan 0.000 0.451 284 W N -0.431 120.898 121.300 0.049 0.000 2.381 284 W HA -0.164 4.492 4.660 -0.005 0.000 0.301 284 W C 1.883 178.561 176.519 0.265 0.000 1.205 284 W CA 1.226 58.660 57.345 0.147 0.000 1.285 284 W CB 0.283 29.789 29.460 0.076 0.000 1.133 284 W HN 0.180 nan 8.180 nan 0.000 0.521 285 L N -1.155 120.224 121.223 0.260 0.000 2.470 285 L HA 0.189 4.526 4.340 -0.005 0.000 0.219 285 L C 2.313 179.238 176.870 0.092 0.000 1.071 285 L CA 0.792 55.751 54.840 0.198 0.000 0.850 285 L CB -0.570 41.579 42.059 0.149 0.000 1.040 285 L HN -0.091 nan 8.230 nan 0.000 0.475 286 G N -0.335 108.495 108.800 0.050 0.000 2.680 286 G HA2 -0.098 3.859 3.960 -0.005 0.000 0.224 286 G HA3 -0.098 3.859 3.960 -0.005 0.000 0.224 286 G C 1.317 176.240 174.900 0.039 0.000 1.454 286 G CA 0.226 45.331 45.100 0.008 0.000 0.900 286 G HN 0.032 nan 8.290 nan 0.000 0.570 287 K N -0.049 120.389 120.400 0.063 0.000 2.020 287 K HA -0.029 4.288 4.320 -0.005 0.000 0.212 287 K C 2.577 179.240 176.600 0.105 0.000 1.050 287 K CA 1.378 57.729 56.287 0.107 0.000 0.929 287 K CB -0.371 32.203 32.500 0.122 0.000 0.714 287 K HN 0.291 nan 8.250 nan 0.000 0.443 288 L N 0.786 122.068 121.223 0.099 0.000 2.093 288 L HA -0.157 4.180 4.340 -0.005 0.000 0.208 288 L C 2.421 179.239 176.870 -0.086 0.000 1.085 288 L CA 0.807 55.665 54.840 0.030 0.000 0.755 288 L CB -0.310 41.786 42.059 0.062 0.000 0.904 288 L HN 0.258 nan 8.230 nan 0.000 0.435 289 L N -0.516 120.659 121.223 -0.079 0.000 2.093 289 L HA -0.182 4.155 4.340 -0.005 0.000 0.208 289 L C 2.824 179.633 176.870 -0.102 0.000 1.085 289 L CA 1.040 55.813 54.840 -0.112 0.000 0.755 289 L CB -0.481 41.540 42.059 -0.064 0.000 0.904 289 L HN 0.289 nan 8.230 nan 0.000 0.435 290 R N 0.891 121.344 120.500 -0.078 0.000 2.066 290 R HA -0.194 4.143 4.340 -0.005 0.000 0.232 290 R C 2.420 178.526 176.300 -0.323 0.000 1.131 290 R CA 1.459 57.493 56.100 -0.110 0.000 0.955 290 R CB -0.313 29.977 30.300 -0.017 0.000 0.851 290 R HN 0.304 nan 8.270 nan 0.000 0.432 291 L N 0.397 121.377 121.223 -0.405 0.000 2.083 291 L HA -0.072 4.265 4.340 -0.005 0.000 0.209 291 L C 2.231 178.772 176.870 -0.549 0.000 1.083 291 L CA 1.754 56.099 54.840 -0.824 0.000 0.752 291 L CB -0.311 41.477 42.059 -0.451 0.000 0.899 291 L HN 0.314 nan 8.230 nan 0.000 0.433 292 A N -0.845 121.792 122.820 -0.305 0.000 2.066 292 A HA 0.200 4.517 4.320 -0.005 0.000 0.218 292 A C 1.713 179.202 177.584 -0.158 0.000 1.157 292 A CA 1.007 52.933 52.037 -0.185 0.000 0.670 292 A CB -0.421 18.489 19.000 -0.149 0.000 0.804 292 A HN 0.740 nan 8.150 nan 0.000 0.453 293 G N -2.844 105.849 108.800 -0.179 0.000 2.234 293 G HA2 0.255 4.212 3.960 -0.005 0.000 0.153 293 G HA3 0.255 4.212 3.960 -0.005 0.000 0.153 293 G C 0.240 175.107 174.900 -0.054 0.000 1.013 293 G CA -0.014 45.012 45.100 -0.123 0.000 0.712 293 G HN 1.345 nan 8.290 nan 0.000 0.491 294 A N 0.564 123.364 122.820 -0.034 0.000 2.454 294 A HA 0.557 4.875 4.320 -0.005 0.000 0.260 294 A C 1.069 178.689 177.584 0.060 0.000 1.106 294 A CA 0.673 52.738 52.037 0.048 0.000 0.780 294 A CB 0.297 19.333 19.000 0.060 0.000 1.044 294 A HN 0.190 nan 8.150 nan 0.000 0.498 295 D N 1.254 121.718 120.400 0.107 0.000 2.249 295 D HA 0.093 4.730 4.640 -0.005 0.000 0.205 295 D C -0.443 175.788 176.300 -0.114 0.000 0.962 295 D CA 1.383 55.369 54.000 -0.024 0.000 0.860 295 D CB 0.157 40.929 40.800 -0.046 0.000 0.955 295 D HN 0.572 nan 8.370 nan 0.000 0.505 296 F N -0.005 120.036 119.950 0.151 0.000 2.565 296 F HA 0.418 4.942 4.527 -0.005 0.000 0.313 296 F C -0.242 175.635 175.800 0.128 0.000 1.091 296 F CA -1.067 57.032 58.000 0.164 0.000 0.915 296 F CB 2.386 41.444 39.000 0.097 0.000 1.208 296 F HN -0.453 nan 8.300 nan 0.000 0.453 297 V N 4.164 124.288 119.914 0.350 0.000 2.447 297 V HA 0.359 4.476 4.120 -0.005 0.000 0.292 297 V C -0.833 175.424 176.094 0.272 0.000 1.021 297 V CA -0.580 61.884 62.300 0.274 0.000 0.850 297 V CB 1.627 33.602 31.823 0.252 0.000 1.005 297 V HN 0.464 nan 8.190 nan 0.000 0.426 298 L N 6.825 128.125 121.223 0.128 0.000 2.305 298 L HA 0.698 5.035 4.340 -0.005 0.000 0.281 298 L C -0.350 176.541 176.870 0.035 0.000 1.085 298 L CA 0.339 55.144 54.840 -0.058 0.000 0.813 298 L CB 0.730 42.667 42.059 -0.203 0.000 1.157 298 L HN 0.657 nan 8.230 nan 0.000 0.436 299 F N 1.610 121.513 119.950 -0.080 0.000 2.662 299 F HA 0.754 5.278 4.527 -0.004 0.000 0.312 299 F C -2.829 172.928 175.800 -0.072 0.000 1.113 299 F CA -3.147 54.818 58.000 -0.058 0.000 0.951 299 F CB 0.656 39.646 39.000 -0.017 0.000 1.344 299 F HN 0.190 nan 8.300 nan 0.000 0.462 300 P HA 0.099 nan 4.420 nan 0.000 0.260 300 P C -0.317 177.009 177.300 0.042 0.000 1.185 300 P CA 0.201 63.328 63.100 0.044 0.000 0.763 300 P CB 0.705 32.453 31.700 0.079 0.000 0.776 301 S N 5.172 120.808 115.700 -0.107 0.000 2.614 301 S HA 0.328 4.795 4.470 -0.005 0.000 0.265 301 S C -1.749 172.758 174.600 -0.155 0.000 1.303 301 S CA -1.041 57.069 58.200 -0.150 0.000 1.000 301 S CB 0.278 63.425 63.200 -0.089 0.000 0.935 301 S HN 0.329 nan 8.310 nan 0.000 0.551 302 P HA 0.265 nan 4.420 nan 0.000 0.249 302 P C -1.246 175.781 177.300 -0.454 0.000 1.583 302 P CA -0.026 62.844 63.100 -0.383 0.000 0.988 302 P CB -0.516 30.979 31.700 -0.342 0.000 1.530 303 Y N -0.513 119.844 120.300 0.095 0.000 2.602 303 Y HA 0.626 5.173 4.550 -0.005 0.000 0.342 303 Y C 1.246 177.183 175.900 0.062 0.000 1.029 303 Y CA -0.558 57.589 58.100 0.079 0.000 1.080 303 Y CB 0.916 39.425 38.460 0.081 0.000 1.284 303 Y HN 0.169 nan 8.280 nan 0.000 0.485 304 G N 0.253 109.194 108.800 0.236 0.000 2.725 304 G HA2 -0.205 3.752 3.960 -0.005 0.000 0.220 304 G HA3 -0.205 3.752 3.960 -0.005 0.000 0.220 304 G C 0.861 175.814 174.900 0.089 0.000 1.357 304 G CA -0.044 45.140 45.100 0.141 0.000 0.866 304 G HN 1.307 nan 8.290 nan 0.000 0.548 305 S N -1.560 114.178 115.700 0.064 0.000 2.387 305 S HA -0.064 4.403 4.470 -0.005 0.000 0.230 305 S C 1.835 176.457 174.600 0.036 0.000 1.035 305 S CA 3.018 61.245 58.200 0.045 0.000 1.014 305 S CB -0.418 62.804 63.200 0.037 0.000 0.836 305 S HN 2.229 nan 8.310 nan 0.000 0.466 306 V N -1.585 118.350 119.914 0.035 0.000 2.804 306 V HA 0.818 4.935 4.120 -0.005 0.000 0.360 306 V C 0.340 176.445 176.094 0.020 0.000 1.282 306 V CA -0.974 61.340 62.300 0.022 0.000 1.274 306 V CB -0.785 31.049 31.823 0.019 0.000 1.415 306 V HN 0.565 nan 8.190 nan 0.000 0.610 307 A N 1.567 124.402 122.820 0.026 0.000 2.540 307 A HA 0.501 4.819 4.320 -0.005 0.000 0.239 307 A C -0.166 177.417 177.584 -0.002 0.000 1.061 307 A CA 0.040 52.084 52.037 0.011 0.000 0.758 307 A CB 0.374 19.387 19.000 0.022 0.000 0.991 307 A HN 0.887 nan 8.150 nan 0.000 0.502 308 L N 1.703 122.923 121.223 -0.006 0.000 2.371 308 L HA 0.268 4.606 4.340 -0.005 0.000 0.272 308 L C 0.790 177.654 176.870 -0.010 0.000 1.124 308 L CA -0.188 54.655 54.840 0.006 0.000 0.816 308 L CB 0.723 42.811 42.059 0.048 0.000 1.129 308 L HN 0.781 nan 8.230 nan 0.000 0.448 309 E N 3.985 124.176 120.200 -0.014 0.000 2.558 309 E HA -0.142 4.205 4.350 -0.005 0.000 0.255 309 E C 1.005 177.593 176.600 -0.020 0.000 0.968 309 E CA 0.444 56.831 56.400 -0.021 0.000 0.939 309 E CB 0.502 30.185 29.700 -0.028 0.000 0.921 309 E HN 0.729 nan 8.360 nan 0.000 0.477 310 R N 3.905 124.387 120.500 -0.030 0.000 2.134 310 R HA -0.222 4.115 4.340 -0.005 0.000 0.248 310 R C 1.478 177.755 176.300 -0.039 0.000 1.143 310 R CA 2.062 58.136 56.100 -0.043 0.000 0.957 310 R CB 0.092 30.364 30.300 -0.047 0.000 0.867 310 R HN 0.517 nan 8.270 nan 0.000 0.441 311 E N 0.071 120.249 120.200 -0.037 0.000 2.150 311 E HA -0.181 4.166 4.350 -0.005 0.000 0.193 311 E C 2.073 178.653 176.600 -0.034 0.000 0.985 311 E CA 0.844 57.220 56.400 -0.040 0.000 0.814 311 E CB -0.049 29.629 29.700 -0.038 0.000 0.752 311 E HN 0.471 nan 8.360 nan 0.000 0.466 312 Q N 0.176 119.960 119.800 -0.027 0.000 2.079 312 Q HA -0.032 4.305 4.340 -0.005 0.000 0.200 312 Q C 2.173 178.160 176.000 -0.022 0.000 0.974 312 Q CA 1.279 57.065 55.803 -0.028 0.000 0.840 312 Q CB -0.347 28.377 28.738 -0.024 0.000 0.898 312 Q HN 0.236 nan 8.270 nan 0.000 0.430 313 A N 0.966 123.806 122.820 0.033 0.000 1.902 313 A HA -0.131 4.186 4.320 -0.005 0.000 0.217 313 A C 2.252 179.920 177.584 0.140 0.000 1.181 313 A CA 1.069 53.191 52.037 0.140 0.000 0.623 313 A CB -0.719 18.461 19.000 0.299 0.000 0.818 313 A HN 0.301 nan 8.150 nan 0.000 0.443 314 L N -0.759 120.503 121.223 0.066 0.000 2.093 314 L HA -0.107 4.230 4.340 -0.005 0.000 0.208 314 L C 2.806 179.673 176.870 -0.005 0.000 1.085 314 L CA 0.983 55.834 54.840 0.018 0.000 0.755 314 L CB -0.811 41.196 42.059 -0.086 0.000 0.904 314 L HN 0.496 nan 8.230 nan 0.000 0.435 315 G N 0.342 109.118 108.800 -0.040 0.000 2.422 315 G HA2 -0.206 3.751 3.960 -0.005 0.000 0.218 315 G HA3 -0.206 3.751 3.960 -0.005 0.000 0.218 315 G C 1.587 176.433 174.900 -0.090 0.000 1.146 315 G CA 0.599 45.666 45.100 -0.056 0.000 0.769 315 G HN 0.280 nan 8.290 nan 0.000 0.547 316 I N 1.219 121.682 120.570 -0.179 0.000 2.202 316 I HA -0.131 4.036 4.170 -0.005 0.000 0.242 316 I C 3.296 179.250 176.117 -0.272 0.000 1.091 316 I CA 0.947 62.056 61.300 -0.318 0.000 1.368 316 I CB -0.275 37.289 38.000 -0.727 0.000 1.058 316 I HN 0.232 nan 8.210 nan 0.000 0.410 317 A N 0.887 123.585 122.820 -0.205 0.000 1.940 317 A HA -0.206 4.111 4.320 -0.005 0.000 0.219 317 A C 2.410 180.023 177.584 0.049 0.000 1.176 317 A CA 1.487 53.544 52.037 0.033 0.000 0.631 317 A CB -0.577 18.643 19.000 0.366 0.000 0.814 317 A HN 0.317 nan 8.150 nan 0.000 0.446 318 R N -0.713 119.800 120.500 0.022 0.000 2.081 318 R HA -0.079 4.258 4.340 -0.005 0.000 0.235 318 R C 2.484 178.791 176.300 0.012 0.000 1.131 318 R CA 1.199 57.309 56.100 0.018 0.000 0.960 318 R CB -0.468 29.832 30.300 0.000 0.000 0.856 318 R HN 0.519 nan 8.270 nan 0.000 0.436 319 A N 1.185 124.002 122.820 -0.005 0.000 1.933 319 A HA -0.098 4.219 4.320 -0.005 0.000 0.218 319 A C 2.141 179.746 177.584 0.035 0.000 1.175 319 A CA 1.076 53.121 52.037 0.014 0.000 0.628 319 A CB -0.418 18.583 19.000 0.002 0.000 0.814 319 A HN 0.176 nan 8.150 nan 0.000 0.444 320 L N -0.438 120.797 121.223 0.020 0.000 2.291 320 L HA -0.074 4.263 4.340 -0.005 0.000 0.214 320 L C 2.388 179.281 176.870 0.039 0.000 1.120 320 L CA 1.615 56.478 54.840 0.039 0.000 0.799 320 L CB -0.300 41.790 42.059 0.051 0.000 0.925 320 L HN 0.648 nan 8.230 nan 0.000 0.446 321 T N -6.238 108.337 114.554 0.034 0.000 3.003 321 T HA 0.055 4.402 4.350 -0.005 0.000 0.261 321 T C 0.567 175.277 174.700 0.017 0.000 1.003 321 T CA -0.490 61.620 62.100 0.016 0.000 0.917 321 T CB -0.037 68.841 68.868 0.015 0.000 1.084 321 T HN -0.030 nan 8.240 nan 0.000 0.522 322 D N 3.911 124.328 120.400 0.028 0.000 2.520 322 D HA -0.022 4.615 4.640 -0.005 0.000 0.243 322 D C 0.803 177.114 176.300 0.019 0.000 1.160 322 D CA 0.179 54.191 54.000 0.021 0.000 0.877 322 D CB 0.821 41.636 40.800 0.025 0.000 1.150 322 D HN 0.443 nan 8.370 nan 0.000 0.494 323 D N 2.647 123.050 120.400 0.004 0.000 2.363 323 D HA -0.136 4.501 4.640 -0.005 0.000 0.226 323 D C 0.834 177.126 176.300 -0.012 0.000 1.020 323 D CA 0.442 54.440 54.000 -0.004 0.000 0.892 323 D CB 0.131 40.925 40.800 -0.011 0.000 0.900 323 D HN 0.301 nan 8.370 nan 0.000 0.531 324 Q N 0.069 119.864 119.800 -0.008 0.000 2.432 324 Q HA 0.069 4.406 4.340 -0.005 0.000 0.205 324 Q C 0.163 176.144 176.000 -0.033 0.000 0.945 324 Q CA 0.481 56.274 55.803 -0.017 0.000 0.924 324 Q CB 0.325 29.057 28.738 -0.010 0.000 1.016 324 Q HN 0.445 nan 8.270 nan 0.000 0.503 325 E N 1.602 121.787 120.200 -0.025 0.000 2.313 325 E HA 0.130 4.478 4.350 -0.005 0.000 0.272 325 E C -1.864 174.610 176.600 -0.211 0.000 1.038 325 E CA -2.039 54.313 56.400 -0.080 0.000 0.863 325 E CB 0.848 30.591 29.700 0.073 0.000 1.060 325 E HN -0.025 nan 8.360 nan 0.000 0.402 326 P HA 0.147 nan 4.420 nan 0.000 0.258 326 P C -0.878 176.080 177.300 -0.570 0.000 1.559 326 P CA 0.199 62.999 63.100 -0.499 0.000 0.855 326 P CB -0.233 31.161 31.700 -0.510 0.000 1.594 327 F N 0.077 120.035 119.950 0.014 0.000 2.603 327 F HA 0.612 5.136 4.527 -0.005 0.000 0.317 327 F C 0.688 176.476 175.800 -0.020 0.000 1.066 327 F CA -1.842 56.157 58.000 -0.002 0.000 0.941 327 F CB 0.677 39.683 39.000 0.011 0.000 1.291 327 F HN -0.146 nan 8.300 nan 0.000 0.472 328 A N 1.459 124.382 122.820 0.171 0.000 2.386 328 A HA 0.536 4.853 4.320 -0.005 0.000 0.246 328 A C 0.260 177.873 177.584 0.048 0.000 1.089 328 A CA -0.518 51.553 52.037 0.056 0.000 0.790 328 A CB 0.224 19.229 19.000 0.009 0.000 1.042 328 A HN 0.801 nan 8.150 nan 0.000 0.497 329 R N 0.000 120.489 120.500 -0.019 0.000 2.490 329 R HA 0.460 4.797 4.340 -0.005 0.000 0.280 329 R C 0.078 176.328 176.300 -0.084 0.000 1.077 329 R CA 0.231 56.305 56.100 -0.045 0.000 1.065 329 R CB 0.900 31.140 30.300 -0.101 0.000 1.003 329 R HN 0.767 nan 8.270 nan 0.000 0.470 330 A N 3.169 125.965 122.820 -0.040 0.000 2.306 330 A HA 0.344 4.661 4.320 -0.005 0.000 0.314 330 A C -0.625 176.963 177.584 0.007 0.000 1.164 330 A CA -0.569 51.456 52.037 -0.019 0.000 0.822 330 A CB 0.349 19.372 19.000 0.040 0.000 1.130 330 A HN 0.707 nan 8.150 nan 0.000 0.496 331 F N 2.877 122.799 119.950 -0.046 0.000 2.541 331 F HA 0.259 4.783 4.527 -0.005 0.000 0.378 331 F C -1.863 174.013 175.800 0.126 0.000 1.068 331 F CA -1.251 56.758 58.000 0.014 0.000 1.199 331 F CB 1.088 40.069 39.000 -0.031 0.000 1.091 331 F HN 0.329 nan 8.300 nan 0.000 0.555 332 P HA 0.142 nan 4.420 nan 0.000 0.287 332 P C -1.097 176.345 177.300 0.237 0.000 1.281 332 P CA -0.111 63.241 63.100 0.420 0.000 0.781 332 P CB 1.286 33.212 31.700 0.377 0.000 0.903 333 V N 6.278 126.220 119.914 0.047 0.000 2.320 333 V HA 0.249 4.366 4.120 -0.005 0.000 0.268 333 V C -2.333 173.270 176.094 -0.820 0.000 1.021 333 V CA -2.063 60.063 62.300 -0.290 0.000 0.813 333 V CB 1.229 32.960 31.823 -0.152 0.000 1.054 333 V HN 0.435 nan 8.190 nan 0.000 0.444 334 P HA 0.194 nan 4.420 nan 0.000 0.262 334 P C -0.244 176.699 177.300 -0.595 0.000 1.199 334 P CA 0.735 63.136 63.100 -1.166 0.000 0.763 334 P CB 0.503 31.698 31.700 -0.842 0.000 0.790 335 S N 2.240 117.637 115.700 -0.505 0.000 2.526 335 S HA 0.834 5.301 4.470 -0.005 0.000 0.293 335 S C -0.685 173.828 174.600 -0.144 0.000 1.092 335 S CA -0.170 57.867 58.200 -0.273 0.000 0.980 335 S CB 1.775 64.814 63.200 -0.269 0.000 1.048 335 S HN 0.695 nan 8.310 nan 0.000 0.483 336 A N 0.550 123.325 122.820 -0.075 0.000 2.435 336 A HA 0.423 4.740 4.320 -0.005 0.000 0.686 336 A C 0.833 178.444 177.584 0.045 0.000 0.138 336 A CA 0.012 52.040 52.037 -0.015 0.000 0.024 336 A CB -1.485 17.509 19.000 -0.009 0.000 3.974 336 A HN 2.523 nan 8.150 nan 0.000 0.548 337 G N -0.201 108.632 108.800 0.054 0.000 2.179 337 G HA2 -0.060 3.897 3.960 -0.005 0.000 0.257 337 G HA3 -0.060 3.897 3.960 -0.005 0.000 0.257 337 G C 0.110 175.098 174.900 0.147 0.000 1.010 337 G CA 0.591 45.756 45.100 0.108 0.000 0.736 337 G HN 1.918 nan 8.290 nan 0.000 0.513 338 I N 2.148 122.765 120.570 0.078 0.000 2.353 338 I HA 0.498 4.665 4.170 -0.005 0.000 0.293 338 I C 0.710 176.903 176.117 0.127 0.000 0.992 338 I CA -0.643 60.692 61.300 0.059 0.000 1.268 338 I CB 0.736 38.732 38.000 -0.005 0.000 1.387 338 I HN 0.471 nan 8.210 nan 0.000 0.478 339 H N 5.295 124.374 119.070 0.014 0.000 3.017 339 H HA 0.391 4.944 4.556 -0.005 0.000 0.346 339 H C -2.871 172.349 175.328 -0.181 0.000 1.286 339 H CA -1.866 54.107 56.048 -0.124 0.000 1.120 339 H CB 1.183 30.717 29.762 -0.381 0.000 1.860 339 H HN 0.068 nan 8.280 nan 0.000 0.542 340 P HA -0.127 nan 4.420 nan 0.000 0.216 340 P C 1.656 178.795 177.300 -0.267 0.000 1.154 340 P CA 2.705 65.430 63.100 -0.625 0.000 0.865 340 P CB -0.384 30.978 31.700 -0.563 0.000 0.789 341 G N -1.145 107.583 108.800 -0.121 0.000 2.586 341 G HA2 -0.175 3.782 3.960 -0.005 0.000 0.215 341 G HA3 -0.175 3.782 3.960 -0.005 0.000 0.215 341 G C 1.265 175.993 174.900 -0.288 0.000 1.128 341 G CA 0.237 45.291 45.100 -0.076 0.000 0.774 341 G HN 0.276 nan 8.290 nan 0.000 0.543 342 L N -0.005 120.867 121.223 -0.586 0.000 2.554 342 L HA 0.126 4.463 4.340 -0.005 0.000 0.225 342 L C 2.560 179.254 176.870 -0.294 0.000 1.104 342 L CA -0.192 54.339 54.840 -0.515 0.000 0.866 342 L CB 0.295 41.913 42.059 -0.735 0.000 1.047 342 L HN 0.044 nan 8.230 nan 0.000 0.468 343 V N 1.197 121.010 119.914 -0.168 0.000 2.282 343 V HA -0.228 3.889 4.120 -0.005 0.000 0.249 343 V C -0.253 175.823 176.094 -0.031 0.000 1.057 343 V CA 2.196 64.468 62.300 -0.048 0.000 1.032 343 V CB -1.440 30.391 31.823 0.013 0.000 0.645 343 V HN 0.352 nan 8.190 nan 0.000 0.447 344 P HA -0.149 nan 4.420 nan 0.000 0.215 344 P C 1.892 179.189 177.300 -0.006 0.000 1.153 344 P CA 1.181 64.273 63.100 -0.013 0.000 0.853 344 P CB -0.063 31.626 31.700 -0.018 0.000 0.788 345 L N -0.871 120.323 121.223 -0.048 0.000 2.056 345 L HA -0.092 4.246 4.340 -0.005 0.000 0.207 345 L C 2.148 179.060 176.870 0.069 0.000 1.078 345 L CA 1.598 56.427 54.840 -0.020 0.000 0.749 345 L CB -1.149 40.851 42.059 -0.099 0.000 0.901 345 L HN -0.119 nan 8.230 nan 0.000 0.433 346 I N -0.779 119.816 120.570 0.043 0.000 2.163 346 I HA -0.355 3.813 4.170 -0.005 0.000 0.243 346 I C 2.376 178.678 176.117 0.308 0.000 1.085 346 I CA 1.715 63.182 61.300 0.277 0.000 1.347 346 I CB -0.323 37.764 38.000 0.146 0.000 1.044 346 I HN 0.218 nan 8.210 nan 0.000 0.408 347 I N 0.152 120.821 120.570 0.165 0.000 2.315 347 I HA -0.266 3.901 4.170 -0.005 0.000 0.248 347 I C 2.770 178.957 176.117 0.117 0.000 1.117 347 I CA 1.119 62.507 61.300 0.147 0.000 1.404 347 I CB -0.391 37.666 38.000 0.094 0.000 1.071 347 I HN 0.198 nan 8.210 nan 0.000 0.419 348 R N 0.893 121.442 120.500 0.082 0.000 2.092 348 R HA -0.169 4.168 4.340 -0.005 0.000 0.231 348 R C 1.769 178.074 176.300 0.008 0.000 1.119 348 R CA 1.701 57.826 56.100 0.042 0.000 0.970 348 R CB -0.024 30.293 30.300 0.030 0.000 0.864 348 R HN 0.289 nan 8.270 nan 0.000 0.440 349 D N -0.598 119.799 120.400 -0.006 0.000 2.120 349 D HA -0.099 4.538 4.640 -0.005 0.000 0.202 349 D C 1.239 177.293 176.300 -0.409 0.000 0.972 349 D CA 1.271 55.123 54.000 -0.247 0.000 0.837 349 D CB 0.004 40.573 40.800 -0.386 0.000 0.989 349 D HN 0.241 nan 8.370 nan 0.000 0.469 350 F N -0.005 120.024 119.950 0.131 0.000 2.721 350 F HA 0.356 4.882 4.527 -0.003 0.000 0.301 350 F C 1.556 177.421 175.800 0.107 0.000 1.096 350 F CA 0.277 58.356 58.000 0.131 0.000 1.308 350 F CB 0.457 39.563 39.000 0.176 0.000 1.086 350 F HN -0.034 nan 8.300 nan 0.000 0.587 351 G N 0.660 109.588 108.800 0.213 0.000 2.725 351 G HA2 -0.247 3.710 3.960 -0.005 0.000 0.220 351 G HA3 -0.247 3.710 3.960 -0.005 0.000 0.220 351 G C 0.451 175.450 174.900 0.166 0.000 1.357 351 G CA -0.273 44.918 45.100 0.152 0.000 0.866 351 G HN 0.140 nan 8.290 nan 0.000 0.548 352 L N -0.168 121.131 121.223 0.125 0.000 2.341 352 L HA 0.165 4.503 4.340 -0.005 0.000 0.214 352 L C 0.984 177.951 176.870 0.162 0.000 1.115 352 L CA 0.599 55.514 54.840 0.125 0.000 0.820 352 L CB -0.121 41.992 42.059 0.089 0.000 0.944 352 L HN 0.382 nan 8.230 nan 0.000 0.452 353 D N 0.998 121.489 120.400 0.151 0.000 2.713 353 D HA 0.133 4.770 4.640 -0.005 0.000 0.229 353 D C 0.231 176.732 176.300 0.335 0.000 1.136 353 D CA 0.416 54.518 54.000 0.171 0.000 1.010 353 D CB 0.492 41.274 40.800 -0.030 0.000 1.084 353 D HN 0.010 nan 8.370 nan 0.000 0.495 354 T N -0.454 114.360 114.554 0.433 0.000 2.787 354 T HA 0.606 4.953 4.350 -0.005 0.000 0.297 354 T C -1.189 173.604 174.700 0.154 0.000 1.221 354 T CA -0.605 61.711 62.100 0.359 0.000 1.006 354 T CB 1.256 70.254 68.868 0.217 0.000 1.328 354 T HN -0.007 nan 8.240 nan 0.000 0.509 355 I N 2.369 122.916 120.570 -0.039 0.000 2.433 355 I HA 0.439 4.606 4.170 -0.005 0.000 0.292 355 I C -0.382 175.628 176.117 -0.177 0.000 1.001 355 I CA -1.139 60.041 61.300 -0.200 0.000 1.119 355 I CB 2.153 39.957 38.000 -0.327 0.000 1.289 355 I HN 0.304 nan 8.210 nan 0.000 0.438 356 V N 5.477 125.287 119.914 -0.173 0.000 2.405 356 V HA 0.102 4.219 4.120 -0.005 0.000 0.264 356 V C 0.308 176.207 176.094 -0.327 0.000 1.048 356 V CA -0.306 61.875 62.300 -0.198 0.000 0.966 356 V CB 0.712 32.447 31.823 -0.146 0.000 1.015 356 V HN 0.611 nan 8.190 nan 0.000 0.477 357 N N 4.561 123.074 118.700 -0.312 0.000 2.558 357 N HA 0.319 5.056 4.740 -0.005 0.000 0.233 357 N C 0.838 176.113 175.510 -0.392 0.000 1.038 357 N CA 0.064 52.913 53.050 -0.334 0.000 0.934 357 N CB 1.612 39.938 38.487 -0.267 0.000 1.175 357 N HN 0.681 nan 8.380 nan 0.000 0.512 358 A N 2.738 125.196 122.820 -0.603 0.000 2.121 358 A HA 0.243 4.560 4.320 -0.005 0.000 0.218 358 A C 1.407 178.813 177.584 -0.296 0.000 1.154 358 A CA 0.961 52.591 52.037 -0.679 0.000 0.679 358 A CB -1.063 17.327 19.000 -1.017 0.000 0.795 358 A HN 0.913 nan 8.150 nan 0.000 0.458 359 G N -1.364 107.291 108.800 -0.242 0.000 2.581 359 G HA2 -0.117 3.840 3.960 -0.005 0.000 0.291 359 G HA3 -0.117 3.840 3.960 -0.005 0.000 0.291 359 G C 1.134 175.992 174.900 -0.070 0.000 1.277 359 G CA 0.208 45.233 45.100 -0.124 0.000 0.959 359 G HN 1.296 nan 8.290 nan 0.000 0.554 360 G N 0.050 108.863 108.800 0.023 0.000 2.712 360 G HA2 0.371 4.328 3.960 -0.005 0.000 0.212 360 G HA3 0.371 4.328 3.960 -0.005 0.000 0.212 360 G C 1.649 176.634 174.900 0.142 0.000 1.142 360 G CA 1.351 46.542 45.100 0.151 0.000 0.789 360 G HN 1.691 nan 8.290 nan 0.000 0.535 361 G N 0.962 109.777 108.800 0.024 0.000 2.509 361 G HA2 -0.154 3.803 3.960 -0.005 0.000 0.218 361 G HA3 -0.154 3.803 3.960 -0.005 0.000 0.218 361 G C 1.586 176.497 174.900 0.019 0.000 1.124 361 G CA 0.470 45.567 45.100 -0.005 0.000 0.776 361 G HN 0.448 nan 8.290 nan 0.000 0.547 362 I N -0.021 120.524 120.570 -0.043 0.000 2.335 362 I HA -0.192 3.975 4.170 -0.005 0.000 0.251 362 I C 2.258 178.347 176.117 -0.047 0.000 1.129 362 I CA 1.004 62.276 61.300 -0.047 0.000 1.402 362 I CB -0.007 37.838 38.000 -0.259 0.000 1.069 362 I HN 0.234 nan 8.210 nan 0.000 0.424 363 H N -0.270 118.866 119.070 0.110 0.000 2.524 363 H HA 0.048 4.601 4.556 -0.005 0.000 0.282 363 H C 2.056 177.494 175.328 0.183 0.000 1.016 363 H CA 1.049 57.169 56.048 0.120 0.000 1.270 363 H CB -0.306 29.506 29.762 0.084 0.000 1.394 363 H HN 0.446 nan 8.280 nan 0.000 0.568 364 G N 0.206 109.200 108.800 0.323 0.000 2.848 364 G HA2 -0.139 3.818 3.960 -0.005 0.000 0.208 364 G HA3 -0.139 3.818 3.960 -0.005 0.000 0.208 364 G C 0.675 175.849 174.900 0.456 0.000 1.152 364 G CA -0.218 45.099 45.100 0.362 0.000 0.789 364 G HN 0.372 nan 8.290 nan 0.000 0.531 365 H N 1.220 120.518 119.070 0.380 0.000 2.815 365 H HA 0.082 4.635 4.556 -0.005 0.000 0.350 365 H C -1.347 174.048 175.328 0.111 0.000 1.080 365 H CA -1.218 55.009 56.048 0.299 0.000 1.433 365 H CB 1.697 31.612 29.762 0.256 0.000 1.432 365 H HN -0.080 nan 8.280 nan 0.000 0.592 366 P HA -0.152 nan 4.420 nan 0.000 0.217 366 P C 0.261 177.626 177.300 0.109 0.000 1.151 366 P CA 1.557 64.590 63.100 -0.111 0.000 0.849 366 P CB 0.287 31.819 31.700 -0.280 0.000 0.787 367 D N -1.126 119.504 120.400 0.383 0.000 2.491 367 D HA 0.250 4.887 4.640 -0.005 0.000 0.228 367 D C 1.191 177.604 176.300 0.189 0.000 1.183 367 D CA 0.409 54.561 54.000 0.253 0.000 0.827 367 D CB 0.053 40.980 40.800 0.211 0.000 0.989 367 D HN 0.072 nan 8.370 nan 0.000 0.494 368 G N 1.193 110.124 108.800 0.219 0.000 2.698 368 G HA2 -0.290 3.667 3.960 -0.005 0.000 0.233 368 G HA3 -0.290 3.667 3.960 -0.005 0.000 0.233 368 G C 1.100 176.064 174.900 0.107 0.000 1.352 368 G CA -0.135 45.065 45.100 0.167 0.000 0.879 368 G HN 0.299 nan 8.290 nan 0.000 0.567 369 A N -0.808 122.051 122.820 0.066 0.000 1.940 369 A HA 0.033 4.350 4.320 -0.005 0.000 0.219 369 A C 2.600 180.128 177.584 -0.093 0.000 1.176 369 A CA 2.399 54.391 52.037 -0.076 0.000 0.631 369 A CB -0.419 18.509 19.000 -0.120 0.000 0.814 369 A HN 0.973 nan 8.150 nan 0.000 0.446 370 I N -0.521 120.010 120.570 -0.065 0.000 2.179 370 I HA -0.208 3.959 4.170 -0.005 0.000 0.242 370 I C 2.701 178.731 176.117 -0.145 0.000 1.088 370 I CA 1.240 62.490 61.300 -0.084 0.000 1.357 370 I CB -0.711 37.258 38.000 -0.053 0.000 1.051 370 I HN 0.401 nan 8.210 nan 0.000 0.409 371 G N 0.420 109.093 108.800 -0.212 0.000 2.408 371 G HA2 -0.143 3.814 3.960 -0.005 0.000 0.217 371 G HA3 -0.143 3.814 3.960 -0.005 0.000 0.217 371 G C 1.714 176.099 174.900 -0.857 0.000 1.150 371 G CA 0.757 45.540 45.100 -0.529 0.000 0.776 371 G HN 0.493 nan 8.290 nan 0.000 0.542 372 G N 0.840 109.328 108.800 -0.519 0.000 2.418 372 G HA2 0.050 4.007 3.960 -0.005 0.000 0.217 372 G HA3 0.050 4.007 3.960 -0.005 0.000 0.217 372 G C 1.763 176.695 174.900 0.053 0.000 1.158 372 G CA 1.352 46.379 45.100 -0.122 0.000 0.771 372 G HN 0.556 nan 8.290 nan 0.000 0.545 373 G N 0.283 109.074 108.800 -0.013 0.000 2.408 373 G HA2 -0.133 3.824 3.960 -0.005 0.000 0.217 373 G HA3 -0.133 3.824 3.960 -0.005 0.000 0.217 373 G C 1.940 176.860 174.900 0.034 0.000 1.150 373 G CA 0.695 45.816 45.100 0.035 0.000 0.776 373 G HN 0.426 nan 8.290 nan 0.000 0.542 374 R N 0.418 120.888 120.500 -0.051 0.000 2.096 374 R HA 0.041 4.378 4.340 -0.005 0.000 0.235 374 R C 3.009 179.296 176.300 -0.023 0.000 1.127 374 R CA 1.097 57.171 56.100 -0.043 0.000 0.968 374 R CB -0.296 29.958 30.300 -0.078 0.000 0.861 374 R HN 0.351 nan 8.270 nan 0.000 0.440 375 A N 0.588 123.375 122.820 -0.055 0.000 1.877 375 A HA -0.160 4.157 4.320 -0.005 0.000 0.216 375 A C 1.891 179.438 177.584 -0.062 0.000 1.186 375 A CA 1.217 53.225 52.037 -0.048 0.000 0.620 375 A CB -0.627 18.357 19.000 -0.027 0.000 0.822 375 A HN 0.198 nan 8.150 nan 0.000 0.443 376 F N -0.030 119.917 119.950 -0.005 0.000 2.134 376 F HA -0.137 4.386 4.527 -0.005 0.000 0.299 376 F C 2.634 178.419 175.800 -0.026 0.000 1.097 376 F CA 1.578 59.565 58.000 -0.022 0.000 1.264 376 F CB -0.178 38.790 39.000 -0.053 0.000 1.001 376 F HN 0.066 nan 8.300 nan 0.000 0.479 377 R N 0.153 120.746 120.500 0.156 0.000 2.096 377 R HA -0.078 4.259 4.340 -0.005 0.000 0.235 377 R C 2.333 178.664 176.300 0.052 0.000 1.127 377 R CA 1.214 57.362 56.100 0.080 0.000 0.968 377 R CB -1.409 28.917 30.300 0.043 0.000 0.861 377 R HN 0.313 nan 8.270 nan 0.000 0.440 378 A N 0.939 123.780 122.820 0.034 0.000 1.930 378 A HA -0.036 4.281 4.320 -0.005 0.000 0.217 378 A C 2.354 179.948 177.584 0.017 0.000 1.175 378 A CA 1.701 53.748 52.037 0.017 0.000 0.627 378 A CB -0.461 18.542 19.000 0.005 0.000 0.815 378 A HN 0.334 nan 8.150 nan 0.000 0.443 379 A N -0.049 122.779 122.820 0.014 0.000 1.898 379 A HA -0.027 4.290 4.320 -0.005 0.000 0.216 379 A C 2.106 179.709 177.584 0.031 0.000 1.181 379 A CA 1.407 53.447 52.037 0.007 0.000 0.620 379 A CB -0.553 18.430 19.000 -0.028 0.000 0.819 379 A HN 0.480 nan 8.150 nan 0.000 0.442 380 I N -0.068 120.536 120.570 0.057 0.000 2.179 380 I HA -0.237 3.931 4.170 -0.005 0.000 0.242 380 I C 1.845 177.988 176.117 0.043 0.000 1.088 380 I CA 1.472 62.806 61.300 0.058 0.000 1.357 380 I CB -0.460 37.581 38.000 0.068 0.000 1.051 380 I HN 0.242 nan 8.210 nan 0.000 0.409 381 D N 1.117 121.540 120.400 0.038 0.000 2.117 381 D HA -0.156 4.481 4.640 -0.005 0.000 0.197 381 D C 2.263 178.578 176.300 0.026 0.000 0.987 381 D CA 1.553 55.572 54.000 0.031 0.000 0.829 381 D CB -0.225 40.591 40.800 0.026 0.000 0.961 381 D HN 0.344 nan 8.370 nan 0.000 0.460 382 A N 0.692 123.524 122.820 0.021 0.000 1.865 382 A HA -0.186 4.131 4.320 -0.005 0.000 0.217 382 A C 2.566 180.161 177.584 0.018 0.000 1.191 382 A CA 1.674 53.720 52.037 0.016 0.000 0.623 382 A CB -0.890 18.116 19.000 0.010 0.000 0.826 382 A HN 0.160 nan 8.150 nan 0.000 0.444 383 V N -0.514 119.414 119.914 0.022 0.000 2.343 383 V HA -0.230 3.887 4.120 -0.005 0.000 0.247 383 V C 2.465 178.576 176.094 0.029 0.000 1.051 383 V CA 1.916 64.231 62.300 0.025 0.000 1.036 383 V CB -0.759 31.082 31.823 0.030 0.000 0.654 383 V HN 0.472 nan 8.190 nan 0.000 0.451 384 L N 0.253 121.496 121.223 0.033 0.000 2.217 384 L HA 0.048 4.385 4.340 -0.005 0.000 0.211 384 L C 2.310 179.197 176.870 0.028 0.000 1.107 384 L CA 1.869 56.730 54.840 0.034 0.000 0.783 384 L CB -0.930 41.153 42.059 0.040 0.000 0.919 384 L HN 0.296 nan 8.230 nan 0.000 0.442 385 A N -0.970 121.864 122.820 0.024 0.000 2.251 385 A HA 0.415 4.732 4.320 -0.005 0.000 0.209 385 A C 1.590 179.184 177.584 0.017 0.000 1.187 385 A CA 0.542 52.591 52.037 0.020 0.000 0.823 385 A CB -0.737 18.273 19.000 0.017 0.000 0.846 385 A HN 0.450 nan 8.150 nan 0.000 0.486 386 G N -0.064 108.747 108.800 0.018 0.000 2.272 386 G HA2 -0.245 3.712 3.960 -0.005 0.000 0.280 386 G HA3 -0.245 3.712 3.960 -0.005 0.000 0.280 386 G C -0.031 174.877 174.900 0.012 0.000 1.067 386 G CA 0.404 45.513 45.100 0.015 0.000 0.902 386 G HN 0.744 nan 8.290 nan 0.000 0.500 387 R N -0.092 120.415 120.500 0.012 0.000 2.795 387 R HA 0.654 4.991 4.340 -0.005 0.000 0.275 387 R C -2.547 173.758 176.300 0.008 0.000 0.981 387 R CA -2.003 54.102 56.100 0.009 0.000 0.917 387 R CB 2.258 32.563 30.300 0.008 0.000 1.202 387 R HN 0.159 nan 8.270 nan 0.000 0.469 388 P HA 0.104 nan 4.420 nan 0.000 0.277 388 P C 0.611 177.913 177.300 0.003 0.000 1.240 388 P CA -0.375 62.727 63.100 0.004 0.000 0.798 388 P CB 0.955 32.658 31.700 0.004 0.000 0.979 389 L N 1.525 122.748 121.223 0.001 0.000 2.043 389 L HA -0.221 4.116 4.340 -0.005 0.000 0.212 389 L C 2.745 179.615 176.870 -0.001 0.000 1.075 389 L CA 1.856 56.695 54.840 -0.002 0.000 0.752 389 L CB -0.622 41.433 42.059 -0.007 0.000 0.891 389 L HN 0.440 nan 8.230 nan 0.000 0.432 390 R N -0.333 120.167 120.500 -0.000 0.000 2.152 390 R HA -0.135 4.202 4.340 -0.005 0.000 0.232 390 R C 2.385 178.684 176.300 -0.002 0.000 1.117 390 R CA 1.133 57.232 56.100 -0.002 0.000 0.981 390 R CB -0.410 29.890 30.300 -0.001 0.000 0.870 390 R HN 0.385 nan 8.270 nan 0.000 0.451 391 A N 1.171 123.991 122.820 0.000 0.000 1.898 391 A HA -0.067 4.250 4.320 -0.005 0.000 0.216 391 A C 2.327 179.911 177.584 0.001 0.000 1.181 391 A CA 1.593 53.630 52.037 0.001 0.000 0.620 391 A CB -0.470 18.531 19.000 0.002 0.000 0.819 391 A HN 0.375 nan 8.150 nan 0.000 0.442 392 A N -0.361 122.460 122.820 0.001 0.000 1.970 392 A HA 0.314 4.631 4.320 -0.005 0.000 0.216 392 A C 2.419 180.004 177.584 0.000 0.000 1.170 392 A CA 1.558 53.596 52.037 0.002 0.000 0.645 392 A CB -0.827 18.175 19.000 0.003 0.000 0.816 392 A HN 0.983 nan 8.150 nan 0.000 0.447 393 A N 0.062 122.881 122.820 -0.001 0.000 1.972 393 A HA 0.158 4.475 4.320 -0.005 0.000 0.219 393 A C 2.347 179.928 177.584 -0.004 0.000 1.169 393 A CA 1.797 53.833 52.037 -0.002 0.000 0.635 393 A CB -0.809 18.188 19.000 -0.005 0.000 0.810 393 A HN 1.045 nan 8.150 nan 0.000 0.446 394 A N -0.405 122.413 122.820 -0.004 0.000 2.121 394 A HA -0.061 4.256 4.320 -0.005 0.000 0.218 394 A C 1.604 179.186 177.584 -0.004 0.000 1.154 394 A CA 1.443 53.477 52.037 -0.005 0.000 0.679 394 A CB -0.296 18.701 19.000 -0.004 0.000 0.795 394 A HN 0.676 nan 8.150 nan 0.000 0.458 395 E N -1.177 119.022 120.200 -0.002 0.000 2.562 395 E HA 0.099 4.446 4.350 -0.005 0.000 0.214 395 E C -0.152 176.448 176.600 -0.000 0.000 0.979 395 E CA -0.275 56.124 56.400 -0.001 0.000 1.002 395 E CB 0.374 30.073 29.700 -0.000 0.000 1.048 395 E HN 0.402 nan 8.360 nan 0.000 0.488 396 N N 1.705 120.405 118.700 0.001 0.000 2.576 396 N HA 0.006 4.743 4.740 -0.005 0.000 0.269 396 N C 0.153 175.668 175.510 0.009 0.000 1.058 396 N CA 0.105 53.157 53.050 0.003 0.000 0.860 396 N CB 1.458 39.947 38.487 0.003 0.000 1.249 396 N HN 0.038 nan 8.380 nan 0.000 0.525 397 E N 3.060 123.267 120.200 0.011 0.000 2.097 397 E HA -0.213 4.134 4.350 -0.005 0.000 0.196 397 E C 1.434 178.065 176.600 0.051 0.000 1.000 397 E CA 1.522 57.933 56.400 0.019 0.000 0.804 397 E CB 0.212 29.922 29.700 0.016 0.000 0.740 397 E HN 0.689 nan 8.360 nan 0.000 0.454 398 A N 1.039 123.896 122.820 0.061 0.000 1.908 398 A HA -0.194 4.123 4.320 -0.005 0.000 0.218 398 A C 2.129 179.824 177.584 0.184 0.000 1.181 398 A CA 1.461 53.573 52.037 0.125 0.000 0.627 398 A CB -0.643 18.340 19.000 -0.028 0.000 0.818 398 A HN 0.386 nan 8.150 nan 0.000 0.445 399 L N -0.649 120.615 121.223 0.069 0.000 2.056 399 L HA -0.115 4.222 4.340 -0.005 0.000 0.207 399 L C 2.435 179.321 176.870 0.026 0.000 1.078 399 L CA 2.627 57.492 54.840 0.041 0.000 0.749 399 L CB -0.788 41.275 42.059 0.006 0.000 0.901 399 L HN 0.478 nan 8.230 nan 0.000 0.433 400 Q N 0.088 119.895 119.800 0.011 0.000 2.084 400 Q HA -0.218 4.119 4.340 -0.005 0.000 0.202 400 Q C 2.192 178.156 176.000 -0.060 0.000 0.978 400 Q CA 1.925 57.716 55.803 -0.020 0.000 0.844 400 Q CB -0.174 28.551 28.738 -0.021 0.000 0.898 400 Q HN 0.489 nan 8.270 nan 0.000 0.426 401 K N -0.500 119.863 120.400 -0.062 0.000 2.097 401 K HA -0.098 4.219 4.320 -0.005 0.000 0.206 401 K C 1.997 178.399 176.600 -0.330 0.000 1.049 401 K CA 1.090 57.262 56.287 -0.192 0.000 0.933 401 K CB -0.231 32.142 32.500 -0.212 0.000 0.717 401 K HN 0.302 nan 8.250 nan 0.000 0.442 402 A N 1.468 124.185 122.820 -0.172 0.000 1.898 402 A HA -0.121 4.196 4.320 -0.005 0.000 0.216 402 A C 2.087 179.613 177.584 -0.098 0.000 1.181 402 A CA 1.138 53.090 52.037 -0.141 0.000 0.620 402 A CB -0.502 18.640 19.000 0.235 0.000 0.819 402 A HN 0.154 nan 8.150 nan 0.000 0.442 403 I N 0.029 120.579 120.570 -0.033 0.000 2.226 403 I HA -0.236 3.931 4.170 -0.005 0.000 0.245 403 I C 1.588 177.656 176.117 -0.081 0.000 1.100 403 I CA 1.512 62.808 61.300 -0.006 0.000 1.374 403 I CB -0.468 37.529 38.000 -0.004 0.000 1.057 403 I HN 0.280 nan 8.210 nan 0.000 0.413 404 D N 0.314 120.624 120.400 -0.150 0.000 2.264 404 D HA -0.105 4.532 4.640 -0.005 0.000 0.208 404 D C 2.287 178.423 176.300 -0.272 0.000 0.966 404 D CA 0.735 54.631 54.000 -0.173 0.000 0.864 404 D CB -0.098 40.603 40.800 -0.165 0.000 0.933 404 D HN 0.203 nan 8.370 nan 0.000 0.499 405 R N -0.467 119.748 120.500 -0.475 0.000 2.090 405 R HA 0.015 4.352 4.340 -0.005 0.000 0.219 405 R C 1.546 177.407 176.300 -0.731 0.000 1.100 405 R CA 0.658 56.285 56.100 -0.789 0.000 0.991 405 R CB -0.005 29.415 30.300 -1.467 0.000 0.893 405 R HN 0.334 nan 8.270 nan 0.000 0.443 406 W N -0.199 121.035 121.300 -0.110 0.000 2.725 406 W HA 0.367 5.024 4.660 -0.005 0.000 0.336 406 W C 0.595 177.034 176.519 -0.134 0.000 1.012 406 W CA 0.345 57.579 57.345 -0.186 0.000 1.566 406 W CB -0.142 29.133 29.460 -0.308 0.000 1.068 406 W HN 0.165 nan 8.180 nan 0.000 0.546 407 G N 1.179 110.041 108.800 0.104 0.000 2.782 407 G HA2 -0.168 3.789 3.960 -0.005 0.000 0.228 407 G HA3 -0.168 3.789 3.960 -0.005 0.000 0.228 407 G C -1.213 173.790 174.900 0.172 0.000 1.372 407 G CA -0.550 44.609 45.100 0.098 0.000 0.862 407 G HN -0.053 nan 8.290 nan 0.000 0.547 408 V N -0.161 119.822 119.914 0.115 0.000 2.540 408 V HA 0.560 4.677 4.120 -0.005 0.000 0.302 408 V C 0.637 176.781 176.094 0.084 0.000 1.035 408 V CA -0.752 61.604 62.300 0.093 0.000 0.873 408 V CB 1.727 33.575 31.823 0.042 0.000 0.992 408 V HN 0.934 nan 8.190 nan 0.000 0.428 409 V N 3.503 123.455 119.914 0.063 0.000 2.432 409 V HA 0.247 4.364 4.120 -0.005 0.000 0.271 409 V C 0.384 176.487 176.094 0.016 0.000 1.046 409 V CA -0.389 61.937 62.300 0.043 0.000 0.945 409 V CB 1.302 33.127 31.823 0.004 0.000 0.992 409 V HN 0.962 nan 8.190 nan 0.000 0.471 410 E N 3.936 124.152 120.200 0.027 0.000 2.414 410 E HA 0.083 4.430 4.350 -0.005 0.000 0.263 410 E C 0.617 177.227 176.600 0.017 0.000 1.000 410 E CA 0.268 56.680 56.400 0.020 0.000 0.914 410 E CB 1.328 31.042 29.700 0.023 0.000 0.948 410 E HN 0.508 nan 8.360 nan 0.000 0.444 411 V N 1.186 121.108 119.914 0.012 0.000 3.645 411 V HA 0.235 4.352 4.120 -0.005 0.000 0.275 411 V C 0.772 176.875 176.094 0.015 0.000 1.356 411 V CA 0.192 62.500 62.300 0.013 0.000 1.051 411 V CB -0.562 31.266 31.823 0.008 0.000 0.828 411 V HN 0.680 nan 8.190 nan 0.000 0.441 412 E N 1.889 122.097 120.200 0.013 0.000 2.415 412 E HA 0.418 4.765 4.350 -0.005 0.000 0.260 412 E C 0.621 177.229 176.600 0.013 0.000 1.016 412 E CA 0.350 56.757 56.400 0.012 0.000 0.924 412 E CB 0.910 30.616 29.700 0.011 0.000 0.961 412 E HN 0.692 nan 8.360 nan 0.000 0.459 413 A N 0.000 122.827 122.820 0.011 0.000 2.254 413 A HA 0.000 4.317 4.320 -0.005 0.000 0.244 413 A CA 0.000 52.043 52.037 0.011 0.000 0.836 413 A CB 0.000 19.005 19.000 0.008 0.000 0.831 413 A HN 0.000 nan 8.150 nan 0.000 0.486