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 3lxi_1_B DATA FIRST_RESID 11 DATA SEQUENCE KHRVAPPPHV PGHLIREIDA YDLDGLEQGF HEAWKRVQQP DTPPLVWTPF DATA SEQUENCE TGGHWIATRG TLIDEIYRSP ERFSSRVIWV PREAGEAYDM VPTKLDPPEH DATA SEQUENCE TPYRKAIDKG LNLAEIRKLE DQIRTIAVEI IEGFADRGHC EFGSEFSTVF DATA SEQUENCE PVRVFLALAG LPVEDATKLG LLANEMTRPS GNTPEEQGRS LEAANKGFFE DATA SEQUENCE YVAPIIAARR GGSGTDLITR ILNVEIDGKP MPDDRALGLV SLLLLGGLDT DATA SEQUENCE VVNFLGFMMI YLSRHPETVA EMRREPLKLQ RGVEELFRRF AVVSDARYVV DATA SEQUENCE SDMEFHGTML KEGDLILLPT ALHGLDDRHH DDPMTVDLSR RDVTHSTFAQ DATA SEQUENCE GPHRCAGMHL ARLEVTVMLQ EWLARIPEFR LKDRAVPIYH SGIVAAVENI DATA SEQUENCE PLEWEPQ 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 11 K HA 0.000 nan 4.320 nan 0.000 0.191 11 K C 0.000 176.619 176.600 0.032 0.000 0.988 11 K CA 0.000 56.190 56.287 -0.161 0.000 0.838 11 K CB 0.000 32.125 32.500 -0.625 0.000 1.064 12 H N 3.322 122.388 119.070 -0.006 0.000 2.848 12 H HA 0.193 4.748 4.556 -0.002 0.000 0.341 12 H C -0.601 174.846 175.328 0.198 0.000 1.060 12 H CA 0.787 56.882 56.048 0.077 0.000 1.444 12 H CB 0.932 30.729 29.762 0.058 0.000 1.446 12 H HN 0.525 nan 8.280 nan 0.000 0.583 13 R N 4.152 124.580 120.500 -0.121 0.000 2.744 13 R HA 0.521 4.859 4.340 -0.002 0.000 0.279 13 R C -1.919 174.324 176.300 -0.096 0.000 0.977 13 R CA -0.844 55.297 56.100 0.068 0.000 0.906 13 R CB 1.955 32.321 30.300 0.110 0.000 1.197 13 R HN 0.396 nan 8.270 nan 0.000 0.463 14 V N 2.523 122.488 119.914 0.086 0.000 2.769 14 V HA 0.735 4.853 4.120 -0.002 0.000 0.312 14 V C -0.515 175.679 176.094 0.167 0.000 1.061 14 V CA -0.544 61.834 62.300 0.129 0.000 0.931 14 V CB 1.766 33.730 31.823 0.235 0.000 1.010 14 V HN 1.014 nan 8.190 nan 0.000 0.433 15 A N 8.113 130.985 122.820 0.087 0.000 2.440 15 A HA 0.633 4.952 4.320 -0.002 0.000 0.251 15 A C -2.254 175.289 177.584 -0.068 0.000 1.089 15 A CA -1.017 51.027 52.037 0.011 0.000 0.779 15 A CB -0.222 18.758 19.000 -0.033 0.000 1.022 15 A HN 0.751 nan 8.150 nan 0.000 0.492 16 P HA 0.252 nan 4.420 nan 0.000 0.269 16 P C -2.568 174.345 177.300 -0.646 0.000 1.209 16 P CA -0.898 61.544 63.100 -1.096 0.000 0.776 16 P CB -0.350 30.545 31.700 -1.341 0.000 0.876 17 P HA 0.145 nan 4.420 nan 0.000 0.271 17 P C -1.897 175.219 177.300 -0.306 0.000 1.233 17 P CA -1.391 61.532 63.100 -0.295 0.000 0.789 17 P CB -0.920 30.717 31.700 -0.105 0.000 0.951 18 P HA -0.198 nan 4.420 nan 0.000 0.217 18 P C 1.291 178.556 177.300 -0.058 0.000 1.148 18 P CA 1.559 64.618 63.100 -0.069 0.000 0.828 18 P CB -0.516 31.188 31.700 0.006 0.000 0.783 19 H N -1.911 117.099 119.070 -0.100 0.000 2.555 19 H HA 0.083 4.638 4.556 -0.002 0.000 0.269 19 H C 0.058 175.362 175.328 -0.040 0.000 0.988 19 H CA 0.302 56.329 56.048 -0.036 0.000 1.178 19 H CB -0.889 28.890 29.762 0.028 0.000 1.373 19 H HN -0.065 nan 8.280 nan 0.000 0.588 20 V N 4.971 124.542 119.914 -0.572 0.000 2.389 20 V HA 0.181 4.300 4.120 -0.002 0.000 0.264 20 V C -1.930 173.961 176.094 -0.338 0.000 1.049 20 V CA -1.456 60.511 62.300 -0.554 0.000 0.932 20 V CB 1.000 32.146 31.823 -1.129 0.000 1.011 20 V HN 0.254 nan 8.190 nan 0.000 0.475 21 P HA 0.221 nan 4.420 nan 0.000 0.275 21 P C 1.156 178.353 177.300 -0.171 0.000 1.228 21 P CA -0.177 62.855 63.100 -0.112 0.000 0.786 21 P CB 1.027 32.722 31.700 -0.008 0.000 0.927 22 G N 1.619 110.381 108.800 -0.064 0.000 2.450 22 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.220 22 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.220 22 G C 1.178 176.062 174.900 -0.026 0.000 1.130 22 G CA 0.566 45.631 45.100 -0.058 0.000 0.760 22 G HN 0.795 nan 8.290 nan 0.000 0.557 23 H N -0.101 118.959 119.070 -0.016 0.000 2.556 23 H HA 0.212 4.767 4.556 -0.002 0.000 0.268 23 H C 1.788 177.133 175.328 0.028 0.000 0.996 23 H CA 0.203 56.253 56.048 0.004 0.000 1.157 23 H CB -0.247 29.521 29.762 0.009 0.000 1.355 23 H HN 0.350 nan 8.280 nan 0.000 0.597 24 L N 0.937 121.932 121.223 -0.379 0.000 2.585 24 L HA 0.251 4.589 4.340 -0.002 0.000 0.226 24 L C 0.668 177.512 176.870 -0.045 0.000 1.113 24 L CA -0.142 54.588 54.840 -0.183 0.000 0.876 24 L CB 0.279 42.268 42.059 -0.116 0.000 1.072 24 L HN 0.078 nan 8.230 nan 0.000 0.468 25 I N 1.569 122.100 120.570 -0.064 0.000 2.598 25 I HA 0.019 4.188 4.170 -0.002 0.000 0.284 25 I C 0.139 176.235 176.117 -0.035 0.000 1.140 25 I CA 0.452 61.739 61.300 -0.020 0.000 1.420 25 I CB 0.162 38.141 38.000 -0.035 0.000 1.387 25 I HN 0.098 nan 8.210 nan 0.000 0.553 26 R N 5.526 125.984 120.500 -0.070 0.000 2.621 26 R HA 0.332 4.670 4.340 -0.002 0.000 0.284 26 R C -0.922 175.257 176.300 -0.201 0.000 0.998 26 R CA -0.825 55.220 56.100 -0.092 0.000 0.895 26 R CB 1.628 31.902 30.300 -0.043 0.000 1.195 26 R HN 0.551 nan 8.270 nan 0.000 0.450 27 E N 3.332 123.415 120.200 -0.195 0.000 1.861 27 E HA 0.258 4.606 4.350 -0.002 0.000 0.263 27 E C -0.214 176.361 176.600 -0.042 0.000 1.137 27 E CA 0.081 56.284 56.400 -0.328 0.000 0.944 27 E CB 0.317 29.908 29.700 -0.182 0.000 1.092 27 E HN 0.309 nan 8.360 nan 0.000 0.420 28 I N 1.997 122.530 120.570 -0.061 0.000 2.436 28 I HA 0.164 4.333 4.170 -0.002 0.000 0.289 28 I C -0.368 175.879 176.117 0.217 0.000 1.010 28 I CA -0.819 60.510 61.300 0.048 0.000 1.098 28 I CB 1.689 39.673 38.000 -0.027 0.000 1.266 28 I HN 0.207 nan 8.210 nan 0.000 0.434 29 D N 5.165 125.662 120.400 0.161 0.000 2.460 29 D HA 0.432 5.070 4.640 -0.002 0.000 0.232 29 D C 0.738 177.027 176.300 -0.018 0.000 1.079 29 D CA -0.383 53.696 54.000 0.131 0.000 0.864 29 D CB 1.913 42.689 40.800 -0.040 0.000 1.048 29 D HN 0.612 nan 8.370 nan 0.000 0.523 30 A N 3.429 126.260 122.820 0.018 0.000 2.019 30 A HA -0.169 4.149 4.320 -0.002 0.000 0.219 30 A C 1.337 178.819 177.584 -0.170 0.000 1.164 30 A CA 1.073 53.058 52.037 -0.086 0.000 0.644 30 A CB -0.613 18.359 19.000 -0.046 0.000 0.805 30 A HN 0.706 nan 8.150 nan 0.000 0.449 31 Y N -1.453 118.880 120.300 0.055 0.000 2.511 31 Y HA 0.164 4.713 4.550 -0.002 0.000 0.279 31 Y C 0.430 176.348 175.900 0.030 0.000 1.157 31 Y CA 0.619 58.751 58.100 0.054 0.000 1.300 31 Y CB 0.526 39.014 38.460 0.046 0.000 1.052 31 Y HN 0.351 nan 8.280 nan 0.000 0.529 32 D N -0.117 120.336 120.400 0.087 0.000 3.250 32 D HA 0.141 4.780 4.640 -0.002 0.000 0.252 32 D C -1.128 175.136 176.300 -0.060 0.000 1.342 32 D CA -0.074 53.943 54.000 0.029 0.000 0.807 32 D CB -0.289 40.522 40.800 0.019 0.000 1.449 32 D HN -0.034 nan 8.370 nan 0.000 0.610 33 L N 1.052 122.196 121.223 -0.132 0.000 2.485 33 L HA 0.175 4.514 4.340 -0.002 0.000 0.275 33 L C 0.603 177.371 176.870 -0.170 0.000 1.207 33 L CA -0.054 54.632 54.840 -0.255 0.000 0.855 33 L CB 0.374 42.133 42.059 -0.500 0.000 1.114 33 L HN 0.225 nan 8.230 nan 0.000 0.485 34 D N 2.403 122.709 120.400 -0.156 0.000 2.531 34 D HA 0.175 4.814 4.640 -0.002 0.000 0.239 34 D C 1.050 177.279 176.300 -0.118 0.000 1.144 34 D CA 1.489 55.427 54.000 -0.104 0.000 0.869 34 D CB 0.828 41.580 40.800 -0.080 0.000 1.160 34 D HN 0.780 nan 8.370 nan 0.000 0.484 35 G N 2.089 110.843 108.800 -0.076 0.000 2.162 35 G HA2 -0.340 3.619 3.960 -0.002 0.000 0.260 35 G HA3 -0.340 3.619 3.960 -0.002 0.000 0.260 35 G C 1.074 175.929 174.900 -0.074 0.000 0.976 35 G CA 0.421 45.481 45.100 -0.067 0.000 0.655 35 G HN 0.512 nan 8.290 nan 0.000 0.533 36 L N 1.529 122.709 121.223 -0.071 0.000 2.081 36 L HA -0.073 4.266 4.340 -0.002 0.000 0.212 36 L C 2.770 179.668 176.870 0.046 0.000 1.080 36 L CA 3.065 57.884 54.840 -0.036 0.000 0.754 36 L CB -0.304 41.762 42.059 0.011 0.000 0.893 36 L HN 0.584 nan 8.230 nan 0.000 0.433 37 E N -1.237 119.008 120.200 0.076 0.000 2.338 37 E HA -0.242 4.107 4.350 -0.002 0.000 0.197 37 E C 1.732 178.449 176.600 0.195 0.000 1.007 37 E CA 0.815 57.319 56.400 0.173 0.000 0.849 37 E CB -0.450 29.311 29.700 0.101 0.000 0.774 37 E HN 0.540 nan 8.360 nan 0.000 0.506 38 Q N 0.647 120.482 119.800 0.058 0.000 2.403 38 Q HA 0.287 4.626 4.340 -0.002 0.000 0.203 38 Q C 0.250 176.181 176.000 -0.115 0.000 0.932 38 Q CA 0.793 56.614 55.803 0.029 0.000 0.945 38 Q CB 1.050 29.790 28.738 0.004 0.000 1.045 38 Q HN 0.413 nan 8.270 nan 0.000 0.511 39 G N -1.152 107.395 108.800 -0.422 0.000 2.435 39 G HA2 -0.138 3.820 3.960 -0.002 0.000 0.603 39 G HA3 -0.138 3.820 3.960 -0.002 0.000 0.603 39 G C -0.455 174.190 174.900 -0.426 0.000 1.496 39 G CA -0.596 44.004 45.100 -0.833 0.000 0.896 39 G HN 0.119 nan 8.290 nan 0.000 0.657 40 F N 1.395 121.049 119.950 -0.495 0.000 2.069 40 F HA -0.082 4.444 4.527 -0.001 0.000 0.298 40 F C 2.427 178.034 175.800 -0.322 0.000 1.113 40 F CA 2.751 60.559 58.000 -0.321 0.000 1.214 40 F CB 0.005 38.807 39.000 -0.331 0.000 0.978 40 F HN 0.652 nan 8.300 nan 0.000 0.474 41 H N -0.313 118.654 119.070 -0.171 0.000 2.357 41 H HA -0.105 4.450 4.556 -0.002 0.000 0.301 41 H C 1.999 177.222 175.328 -0.174 0.000 1.082 41 H CA 1.772 57.691 56.048 -0.215 0.000 1.342 41 H CB -0.348 29.370 29.762 -0.072 0.000 1.389 41 H HN 0.253 nan 8.280 nan 0.000 0.511 42 E N 0.596 120.781 120.200 -0.025 0.000 2.085 42 E HA -0.167 4.182 4.350 -0.002 0.000 0.194 42 E C 2.340 178.874 176.600 -0.111 0.000 0.994 42 E CA 1.104 57.477 56.400 -0.045 0.000 0.801 42 E CB -0.317 29.359 29.700 -0.040 0.000 0.743 42 E HN 0.524 nan 8.360 nan 0.000 0.453 43 A N -0.178 122.514 122.820 -0.212 0.000 1.877 43 A HA -0.166 4.153 4.320 -0.002 0.000 0.216 43 A C 2.031 179.418 177.584 -0.328 0.000 1.186 43 A CA 1.306 53.171 52.037 -0.288 0.000 0.620 43 A CB -1.142 17.635 19.000 -0.373 0.000 0.822 43 A HN 0.429 nan 8.150 nan 0.000 0.443 44 W N 0.204 121.273 121.300 -0.384 0.000 2.374 44 W HA -0.115 4.543 4.660 -0.003 0.000 0.288 44 W C 2.258 178.655 176.519 -0.204 0.000 1.218 44 W CA 1.142 58.282 57.345 -0.341 0.000 1.245 44 W CB 0.162 29.322 29.460 -0.501 0.000 1.126 44 W HN 0.133 nan 8.180 nan 0.000 0.545 45 K N 0.382 120.816 120.400 0.056 0.000 2.148 45 K HA -0.086 4.233 4.320 -0.002 0.000 0.204 45 K C 1.752 178.364 176.600 0.020 0.000 1.050 45 K CA 1.078 57.386 56.287 0.035 0.000 0.942 45 K CB -0.457 32.051 32.500 0.013 0.000 0.724 45 K HN 0.298 nan 8.250 nan 0.000 0.446 46 R N 0.370 120.862 120.500 -0.013 0.000 2.105 46 R HA -0.098 4.241 4.340 -0.002 0.000 0.239 46 R C 2.230 178.532 176.300 0.003 0.000 1.135 46 R CA 1.111 57.200 56.100 -0.019 0.000 0.967 46 R CB -0.410 29.857 30.300 -0.055 0.000 0.861 46 R HN -0.052 nan 8.270 nan 0.000 0.442 47 V N 0.725 120.656 119.914 0.029 0.000 2.515 47 V HA -0.187 3.931 4.120 -0.002 0.000 0.250 47 V C 1.443 177.579 176.094 0.070 0.000 1.058 47 V CA 1.314 63.657 62.300 0.072 0.000 1.064 47 V CB -0.380 31.557 31.823 0.189 0.000 0.675 47 V HN 0.340 nan 8.190 nan 0.000 0.461 48 Q N 1.262 121.100 119.800 0.064 0.000 2.835 48 Q HA 0.143 4.482 4.340 -0.002 0.000 0.235 48 Q C -0.279 175.738 176.000 0.027 0.000 1.313 48 Q CA -0.315 55.512 55.803 0.040 0.000 1.053 48 Q CB 0.200 28.957 28.738 0.032 0.000 1.443 48 Q HN 0.477 nan 8.270 nan 0.000 0.576 49 Q N 1.470 121.285 119.800 0.025 0.000 2.212 49 Q HA 0.214 4.552 4.340 -0.002 0.000 0.238 49 Q C -1.742 174.268 176.000 0.016 0.000 0.955 49 Q CA -2.102 53.712 55.803 0.018 0.000 0.906 49 Q CB 0.607 29.355 28.738 0.017 0.000 1.215 49 Q HN 0.366 nan 8.270 nan 0.000 0.478 50 P HA -0.138 nan 4.420 nan 0.000 0.216 50 P C -0.005 177.301 177.300 0.010 0.000 1.150 50 P CA 1.464 64.570 63.100 0.010 0.000 0.843 50 P CB 0.367 32.072 31.700 0.007 0.000 0.787 51 D N -2.312 118.096 120.400 0.014 0.000 2.402 51 D HA 0.021 4.660 4.640 -0.002 0.000 0.216 51 D C 0.514 176.831 176.300 0.027 0.000 1.128 51 D CA 0.325 54.335 54.000 0.017 0.000 0.833 51 D CB -0.132 40.679 40.800 0.017 0.000 0.971 51 D HN 0.151 nan 8.370 nan 0.000 0.503 52 T N 1.088 115.657 114.554 0.027 0.000 2.901 52 T HA 0.266 4.615 4.350 -0.002 0.000 0.301 52 T C -2.496 172.226 174.700 0.036 0.000 1.012 52 T CA -1.350 60.772 62.100 0.037 0.000 1.135 52 T CB 1.323 70.213 68.868 0.038 0.000 0.936 52 T HN -0.236 nan 8.240 nan 0.000 0.539 53 P HA 0.162 nan 4.420 nan 0.000 0.268 53 P C -1.783 175.533 177.300 0.026 0.000 1.208 53 P CA -1.392 61.740 63.100 0.054 0.000 0.777 53 P CB 0.194 31.948 31.700 0.090 0.000 0.875 54 P HA -0.042 nan 4.420 nan 0.000 0.222 54 P C -0.070 177.198 177.300 -0.053 0.000 1.147 54 P CA 1.480 64.534 63.100 -0.077 0.000 0.790 54 P CB 0.310 31.913 31.700 -0.163 0.000 0.780 55 L N 0.450 121.681 121.223 0.014 0.000 2.406 55 L HA 0.326 4.665 4.340 -0.002 0.000 0.272 55 L C -0.096 176.965 176.870 0.318 0.000 0.980 55 L CA -1.328 53.577 54.840 0.107 0.000 0.831 55 L CB 1.823 43.830 42.059 -0.087 0.000 1.253 55 L HN -0.239 nan 8.230 nan 0.000 0.406 56 V N 0.258 120.395 119.914 0.371 0.000 2.960 56 V HA 0.711 4.830 4.120 -0.002 0.000 0.315 56 V C -1.412 174.861 176.094 0.298 0.000 1.087 56 V CA -0.992 61.495 62.300 0.312 0.000 0.982 56 V CB 2.352 34.253 31.823 0.131 0.000 1.039 56 V HN 0.829 nan 8.190 nan 0.000 0.437 57 W N 1.690 122.875 121.300 -0.190 0.000 2.532 57 W HA 0.706 5.364 4.660 -0.003 0.000 0.321 57 W C -0.229 176.022 176.519 -0.447 0.000 1.037 57 W CA -0.229 56.790 57.345 -0.545 0.000 1.220 57 W CB 1.924 30.747 29.460 -1.062 0.000 1.361 57 W HN 0.938 nan 8.180 nan 0.000 0.468 58 T N 7.156 121.043 114.554 -1.112 0.000 2.859 58 T HA 0.378 4.727 4.350 -0.002 0.000 0.281 58 T C -1.632 172.171 174.700 -1.495 0.000 1.005 58 T CA -2.266 59.238 62.100 -0.993 0.000 1.025 58 T CB 1.823 70.235 68.868 -0.761 0.000 0.977 58 T HN 0.411 nan 8.240 nan 0.000 0.458 59 P HA 0.140 nan 4.420 nan 0.000 0.240 59 P C 0.318 177.448 177.300 -0.283 0.000 1.190 59 P CA 0.139 62.928 63.100 -0.520 0.000 0.781 59 P CB 0.095 31.649 31.700 -0.243 0.000 0.931 60 F N 0.636 120.454 119.950 -0.219 0.000 2.390 60 F HA 0.146 4.672 4.527 -0.002 0.000 0.307 60 F C 1.393 177.193 175.800 -0.000 0.000 1.227 60 F CA -0.413 57.556 58.000 -0.053 0.000 1.179 60 F CB -0.376 38.606 39.000 -0.031 0.000 1.280 60 F HN -0.270 nan 8.300 nan 0.000 0.548 61 T N 0.570 115.333 114.554 0.347 0.000 3.996 61 T HA -0.164 4.184 4.350 -0.002 0.000 0.348 61 T C 0.710 175.559 174.700 0.248 0.000 0.757 61 T CA 0.802 63.083 62.100 0.302 0.000 1.898 61 T CB -2.030 67.075 68.868 0.396 0.000 1.861 61 T HN 1.462 nan 8.240 nan 0.000 0.821 62 G N -0.442 108.484 108.800 0.211 0.000 2.176 62 G HA2 0.278 4.237 3.960 -0.002 0.000 0.253 62 G HA3 0.278 4.237 3.960 -0.002 0.000 0.253 62 G C 0.973 175.958 174.900 0.143 0.000 0.979 62 G CA 0.466 45.677 45.100 0.184 0.000 0.641 62 G HN 2.461 nan 8.290 nan 0.000 0.530 63 G N -0.725 108.054 108.800 -0.035 0.000 3.402 63 G HA2 0.531 4.490 3.960 -0.002 0.000 0.686 63 G HA3 0.531 4.490 3.960 -0.002 0.000 0.686 63 G C -0.426 174.261 174.900 -0.355 0.000 0.983 63 G CA 0.683 45.530 45.100 -0.422 0.000 0.821 63 G HN 2.873 nan 8.290 nan 0.000 0.500 64 H N -1.391 117.073 119.070 -1.010 0.000 2.987 64 H HA 0.665 5.220 4.556 -0.002 0.000 0.316 64 H C -0.550 174.347 175.328 -0.718 0.000 1.380 64 H CA -1.648 54.061 56.048 -0.565 0.000 1.160 64 H CB 0.151 29.797 29.762 -0.193 0.000 1.865 64 H HN 0.606 nan 8.280 nan 0.000 0.521 65 W N 0.814 122.100 121.300 -0.023 0.000 2.183 65 W HA 0.612 5.270 4.660 -0.003 0.000 0.348 65 W C -0.265 176.307 176.519 0.088 0.000 1.257 65 W CA -0.535 56.827 57.345 0.028 0.000 1.324 65 W CB 0.790 30.341 29.460 0.151 0.000 1.144 65 W HN 0.447 nan 8.180 nan 0.000 0.622 66 I N 2.218 122.981 120.570 0.322 0.000 2.534 66 I HA 0.367 4.536 4.170 -0.002 0.000 0.288 66 I C -0.247 175.932 176.117 0.102 0.000 1.077 66 I CA -1.217 60.190 61.300 0.179 0.000 1.051 66 I CB 1.533 39.629 38.000 0.160 0.000 1.234 66 I HN 0.437 nan 8.210 nan 0.000 0.425 67 A N 3.246 126.051 122.820 -0.025 0.000 2.409 67 A HA 0.449 4.767 4.320 -0.002 0.000 0.267 67 A C 0.937 178.445 177.584 -0.127 0.000 1.127 67 A CA -0.015 51.962 52.037 -0.099 0.000 0.795 67 A CB 0.044 18.930 19.000 -0.190 0.000 1.061 67 A HN 0.863 nan 8.150 nan 0.000 0.502 68 T N -0.175 114.324 114.554 -0.091 0.000 3.054 68 T HA 0.263 4.611 4.350 -0.002 0.000 0.255 68 T C 0.561 175.203 174.700 -0.096 0.000 1.035 68 T CA -0.124 61.932 62.100 -0.073 0.000 0.941 68 T CB 0.074 68.939 68.868 -0.006 0.000 1.026 68 T HN 0.479 nan 8.240 nan 0.000 0.533 69 R N 0.356 120.771 120.500 -0.141 0.000 2.599 69 R HA 0.596 4.935 4.340 -0.002 0.000 0.295 69 R C 1.462 177.632 176.300 -0.216 0.000 0.963 69 R CA -0.399 55.618 56.100 -0.139 0.000 0.883 69 R CB 1.296 31.517 30.300 -0.131 0.000 1.171 69 R HN 0.233 nan 8.270 nan 0.000 0.450 70 G N 0.476 109.122 108.800 -0.257 0.000 2.469 70 G HA2 -0.333 3.625 3.960 -0.002 0.000 0.220 70 G HA3 -0.333 3.625 3.960 -0.002 0.000 0.220 70 G C 1.264 175.774 174.900 -0.650 0.000 1.136 70 G CA 1.836 46.604 45.100 -0.553 0.000 0.759 70 G HN 0.651 nan 8.290 nan 0.000 0.562 71 T N -0.241 114.121 114.554 -0.319 0.000 2.821 71 T HA -0.017 4.332 4.350 -0.002 0.000 0.267 71 T C 2.384 176.937 174.700 -0.245 0.000 1.046 71 T CA 1.270 63.252 62.100 -0.196 0.000 1.139 71 T CB -0.196 68.677 68.868 0.008 0.000 0.871 71 T HN 0.048 nan 8.240 nan 0.000 0.454 72 L N 0.369 121.394 121.223 -0.329 0.000 2.093 72 L HA 0.226 4.565 4.340 -0.002 0.000 0.208 72 L C 2.541 179.268 176.870 -0.237 0.000 1.085 72 L CA 1.198 55.858 54.840 -0.301 0.000 0.755 72 L CB -0.559 41.277 42.059 -0.371 0.000 0.904 72 L HN 0.328 nan 8.230 nan 0.000 0.435 73 I N -0.429 119.972 120.570 -0.281 0.000 2.113 73 I HA -0.336 3.832 4.170 -0.002 0.000 0.238 73 I C 2.286 178.312 176.117 -0.152 0.000 1.070 73 I CA 1.826 62.958 61.300 -0.280 0.000 1.332 73 I CB -0.390 37.484 38.000 -0.210 0.000 1.044 73 I HN 0.309 nan 8.210 nan 0.000 0.402 74 D N 0.683 121.002 120.400 -0.135 0.000 2.116 74 D HA -0.306 4.333 4.640 -0.002 0.000 0.193 74 D C 2.119 178.442 176.300 0.038 0.000 0.998 74 D CA 1.848 55.846 54.000 -0.004 0.000 0.836 74 D CB -0.064 40.651 40.800 -0.141 0.000 0.951 74 D HN 0.376 nan 8.370 nan 0.000 0.449 75 E N -0.462 119.735 120.200 -0.005 0.000 2.072 75 E HA -0.153 4.196 4.350 -0.002 0.000 0.191 75 E C 2.325 178.952 176.600 0.044 0.000 0.985 75 E CA 0.860 57.311 56.400 0.085 0.000 0.801 75 E CB -0.137 29.673 29.700 0.183 0.000 0.750 75 E HN 0.443 nan 8.360 nan 0.000 0.452 76 I N 0.215 120.688 120.570 -0.162 0.000 2.179 76 I HA -0.287 3.882 4.170 -0.002 0.000 0.242 76 I C 2.073 178.093 176.117 -0.162 0.000 1.088 76 I CA 1.081 62.089 61.300 -0.487 0.000 1.357 76 I CB -0.362 37.123 38.000 -0.859 0.000 1.051 76 I HN 0.198 nan 8.210 nan 0.000 0.409 77 Y N 1.027 121.274 120.300 -0.088 0.000 2.256 77 Y HA -0.192 4.357 4.550 -0.002 0.000 0.288 77 Y C 2.487 178.412 175.900 0.041 0.000 1.155 77 Y CA 1.289 59.382 58.100 -0.013 0.000 1.203 77 Y CB -0.483 37.972 38.460 -0.007 0.000 0.980 77 Y HN 0.078 nan 8.280 nan 0.000 0.530 78 R N -0.798 119.823 120.500 0.203 0.000 2.313 78 R HA 0.103 4.442 4.340 -0.002 0.000 0.199 78 R C 0.214 176.601 176.300 0.146 0.000 0.958 78 R CA 0.549 56.740 56.100 0.152 0.000 1.047 78 R CB 0.078 30.452 30.300 0.123 0.000 0.955 78 R HN 0.006 nan 8.270 nan 0.000 0.481 79 S N 1.504 117.312 115.700 0.180 0.000 2.222 79 S HA 0.176 4.645 4.470 -0.002 0.000 0.173 79 S C -1.946 172.778 174.600 0.206 0.000 1.466 79 S CA -1.055 57.267 58.200 0.203 0.000 1.184 79 S CB 1.218 64.598 63.200 0.300 0.000 1.168 79 S HN 0.095 nan 8.310 nan 0.000 0.475 80 P HA -0.134 nan 4.420 nan 0.000 0.220 80 P C 0.950 178.299 177.300 0.082 0.000 1.148 80 P CA 1.073 64.254 63.100 0.136 0.000 0.803 80 P CB 0.280 32.046 31.700 0.110 0.000 0.782 81 E N -0.092 120.136 120.200 0.047 0.000 2.204 81 E HA -0.111 4.237 4.350 -0.002 0.000 0.194 81 E C 2.105 178.660 176.600 -0.075 0.000 0.989 81 E CA 0.804 57.204 56.400 0.000 0.000 0.824 81 E CB -0.129 29.571 29.700 0.000 0.000 0.756 81 E HN 0.359 nan 8.360 nan 0.000 0.477 82 R N -0.647 119.762 120.500 -0.151 0.000 2.254 82 R HA 0.144 4.483 4.340 -0.002 0.000 0.193 82 R C -0.130 175.717 176.300 -0.754 0.000 0.929 82 R CA 0.170 55.980 56.100 -0.483 0.000 1.038 82 R CB 0.602 30.504 30.300 -0.665 0.000 1.009 82 R HN -0.027 nan 8.270 nan 0.000 0.512 83 F N 0.470 120.385 119.950 -0.058 0.000 2.646 83 F HA 0.304 4.830 4.527 -0.002 0.000 0.364 83 F C 0.055 175.871 175.800 0.027 0.000 1.137 83 F CA -0.811 57.160 58.000 -0.048 0.000 1.085 83 F CB 1.704 40.620 39.000 -0.140 0.000 1.331 83 F HN -0.217 nan 8.300 nan 0.000 0.472 84 S N 0.863 116.687 115.700 0.207 0.000 2.632 84 S HA 0.325 4.793 4.470 -0.002 0.000 0.271 84 S C 0.976 175.655 174.600 0.132 0.000 1.260 84 S CA -0.411 57.877 58.200 0.148 0.000 1.010 84 S CB 1.203 64.464 63.200 0.101 0.000 0.965 84 S HN 0.504 nan 8.310 nan 0.000 0.534 85 S N 2.389 118.136 115.700 0.078 0.000 2.634 85 S HA 0.140 4.609 4.470 -0.002 0.000 0.221 85 S C 1.682 176.292 174.600 0.017 0.000 0.952 85 S CA -0.362 57.853 58.200 0.024 0.000 0.930 85 S CB -0.239 62.923 63.200 -0.064 0.000 0.780 85 S HN 0.694 nan 8.310 nan 0.000 0.498 86 R N 1.238 121.716 120.500 -0.037 0.000 2.119 86 R HA -0.108 4.230 4.340 -0.002 0.000 0.246 86 R C -0.165 176.095 176.300 -0.067 0.000 1.146 86 R CA 1.231 57.243 56.100 -0.147 0.000 0.962 86 R CB 0.060 30.063 30.300 -0.495 0.000 0.863 86 R HN 0.211 nan 8.270 nan 0.000 0.442 87 V N 1.252 121.182 119.914 0.028 0.000 2.623 87 V HA 0.197 4.316 4.120 -0.002 0.000 0.304 87 V C 0.215 176.378 176.094 0.114 0.000 1.054 87 V CA -0.591 61.782 62.300 0.121 0.000 0.882 87 V CB 1.855 33.830 31.823 0.252 0.000 1.002 87 V HN 0.333 nan 8.190 nan 0.000 0.424 88 I N -0.175 120.429 120.570 0.057 0.000 4.160 88 I HA 0.447 4.616 4.170 -0.002 0.000 0.325 88 I C -0.095 176.071 176.117 0.081 0.000 1.455 88 I CA -0.002 61.313 61.300 0.025 0.000 1.142 88 I CB 0.490 38.465 38.000 -0.041 0.000 1.262 88 I HN 0.449 nan 8.210 nan 0.000 0.483 89 W N 2.267 123.453 121.300 -0.189 0.000 2.781 89 W HA 0.682 5.341 4.660 -0.002 0.000 0.345 89 W C -0.973 175.504 176.519 -0.070 0.000 1.085 89 W CA -0.849 56.414 57.345 -0.138 0.000 1.198 89 W CB 2.591 31.977 29.460 -0.123 0.000 1.423 89 W HN -0.202 nan 8.180 nan 0.000 0.532 90 V N 1.263 121.194 119.914 0.028 0.000 2.715 90 V HA 0.605 4.723 4.120 -0.002 0.000 0.310 90 V C -2.367 173.908 176.094 0.300 0.000 1.054 90 V CA -2.664 59.664 62.300 0.048 0.000 0.928 90 V CB 1.429 33.073 31.823 -0.298 0.000 1.007 90 V HN 0.301 nan 8.190 nan 0.000 0.437 91 P HA 0.234 nan 4.420 nan 0.000 0.274 91 P C 0.599 178.003 177.300 0.174 0.000 1.256 91 P CA -0.423 62.787 63.100 0.182 0.000 0.795 91 P CB 1.078 32.867 31.700 0.147 0.000 1.038 92 R N 0.664 121.254 120.500 0.150 0.000 2.119 92 R HA -0.233 4.106 4.340 -0.002 0.000 0.246 92 R C 1.760 178.142 176.300 0.136 0.000 1.146 92 R CA 2.085 58.277 56.100 0.154 0.000 0.962 92 R CB -0.338 30.055 30.300 0.156 0.000 0.863 92 R HN 0.415 nan 8.270 nan 0.000 0.442 93 E N 0.043 120.309 120.200 0.110 0.000 2.077 93 E HA -0.154 4.194 4.350 -0.002 0.000 0.193 93 E C 1.870 178.514 176.600 0.072 0.000 0.989 93 E CA 1.577 58.023 56.400 0.077 0.000 0.800 93 E CB -0.238 29.493 29.700 0.051 0.000 0.746 93 E HN 0.490 nan 8.360 nan 0.000 0.452 94 A N 0.609 123.492 122.820 0.104 0.000 1.877 94 A HA -0.102 4.216 4.320 -0.002 0.000 0.216 94 A C 2.475 180.101 177.584 0.070 0.000 1.186 94 A CA 1.817 53.911 52.037 0.096 0.000 0.620 94 A CB -1.327 17.812 19.000 0.231 0.000 0.822 94 A HN 0.364 nan 8.150 nan 0.000 0.443 95 G N -0.544 108.356 108.800 0.166 0.000 2.442 95 G HA2 -0.216 3.743 3.960 -0.002 0.000 0.219 95 G HA3 -0.216 3.743 3.960 -0.002 0.000 0.219 95 G C 1.408 176.373 174.900 0.109 0.000 1.141 95 G CA 1.036 46.229 45.100 0.155 0.000 0.763 95 G HN 0.679 nan 8.290 nan 0.000 0.554 96 E N 0.270 120.525 120.200 0.092 0.000 2.208 96 E HA 0.116 4.465 4.350 -0.002 0.000 0.193 96 E C 2.729 179.347 176.600 0.030 0.000 0.988 96 E CA 0.551 56.990 56.400 0.064 0.000 0.828 96 E CB -0.037 29.702 29.700 0.064 0.000 0.763 96 E HN 0.430 nan 8.360 nan 0.000 0.478 97 A N 0.693 123.518 122.820 0.008 0.000 2.123 97 A HA -0.070 4.249 4.320 -0.002 0.000 0.214 97 A C 0.659 178.187 177.584 -0.095 0.000 1.152 97 A CA -0.089 51.919 52.037 -0.049 0.000 0.728 97 A CB -0.365 18.598 19.000 -0.063 0.000 0.814 97 A HN 0.309 nan 8.150 nan 0.000 0.464 98 Y N 1.353 121.519 120.300 -0.224 0.000 2.721 98 Y HA 0.234 4.783 4.550 -0.002 0.000 0.329 98 Y C -0.405 175.368 175.900 -0.212 0.000 1.211 98 Y CA 0.130 58.040 58.100 -0.316 0.000 1.512 98 Y CB 0.320 38.548 38.460 -0.386 0.000 1.249 98 Y HN 0.202 nan 8.280 nan 0.000 0.549 99 D N 7.705 127.722 120.400 -0.638 0.000 2.429 99 D HA 0.241 4.880 4.640 -0.002 0.000 0.255 99 D C -1.377 174.673 176.300 -0.416 0.000 1.257 99 D CA -0.299 53.464 54.000 -0.395 0.000 0.890 99 D CB 0.051 40.683 40.800 -0.279 0.000 1.267 99 D HN 0.449 nan 8.370 nan 0.000 0.521 100 M N 1.366 120.635 119.600 -0.552 0.000 2.518 100 M HA 0.504 4.983 4.480 -0.002 0.000 0.300 100 M C -0.911 175.316 176.300 -0.122 0.000 1.175 100 M CA -1.042 54.038 55.300 -0.367 0.000 0.890 100 M CB 2.150 34.398 32.600 -0.588 0.000 1.710 100 M HN -0.085 nan 8.290 nan 0.000 0.453 101 V N 3.682 123.555 119.914 -0.069 0.000 2.656 101 V HA 0.495 4.613 4.120 -0.002 0.000 0.307 101 V C -1.956 174.148 176.094 0.018 0.000 1.051 101 V CA -0.887 61.377 62.300 -0.061 0.000 0.893 101 V CB 2.623 34.309 31.823 -0.227 0.000 0.999 101 V HN 0.667 nan 8.190 nan 0.000 0.426 102 P HA 0.102 nan 4.420 nan 0.000 0.263 102 P C 0.994 178.533 177.300 0.399 0.000 1.448 102 P CA 0.179 63.399 63.100 0.199 0.000 0.983 102 P CB 0.603 32.445 31.700 0.237 0.000 1.481 103 T N 0.925 115.668 114.554 0.314 0.000 2.962 103 T HA -0.089 4.260 4.350 -0.002 0.000 0.270 103 T C 1.508 176.334 174.700 0.210 0.000 1.088 103 T CA 1.337 63.609 62.100 0.286 0.000 1.127 103 T CB -0.315 68.727 68.868 0.291 0.000 0.883 103 T HN 0.319 nan 8.240 nan 0.000 0.493 104 K N 0.302 120.856 120.400 0.257 0.000 2.459 104 K HA 0.177 4.496 4.320 -0.002 0.000 0.193 104 K C 0.405 177.098 176.600 0.155 0.000 1.030 104 K CA 0.283 56.691 56.287 0.202 0.000 1.026 104 K CB -0.010 32.597 32.500 0.180 0.000 0.809 104 K HN 0.311 nan 8.250 nan 0.000 0.504 105 L N 1.685 123.050 121.223 0.236 0.000 2.334 105 L HA 0.354 4.693 4.340 -0.002 0.000 0.275 105 L C -0.374 176.673 176.870 0.295 0.000 1.036 105 L CA -1.111 53.872 54.840 0.238 0.000 0.807 105 L CB 1.236 43.443 42.059 0.246 0.000 1.231 105 L HN 0.060 nan 8.230 nan 0.000 0.438 106 D N 1.349 121.867 120.400 0.197 0.000 2.268 106 D HA 0.377 5.015 4.640 -0.002 0.000 0.249 106 D C -2.452 173.939 176.300 0.151 0.000 1.008 106 D CA -1.398 52.696 54.000 0.157 0.000 0.939 106 D CB 1.656 42.520 40.800 0.106 0.000 1.170 106 D HN 0.157 nan 8.370 nan 0.000 0.468 107 P HA 0.097 nan 4.420 nan 0.000 0.268 107 P C -1.694 175.658 177.300 0.088 0.000 1.205 107 P CA -0.774 62.398 63.100 0.121 0.000 0.771 107 P CB 0.313 32.063 31.700 0.084 0.000 0.858 108 P HA 0.014 nan 4.420 nan 0.000 0.239 108 P C 0.776 178.140 177.300 0.106 0.000 1.188 108 P CA 0.856 64.005 63.100 0.082 0.000 0.794 108 P CB 0.374 32.106 31.700 0.053 0.000 0.937 109 E N -0.160 120.116 120.200 0.126 0.000 2.171 109 E HA -0.225 4.124 4.350 -0.002 0.000 0.197 109 E C 2.034 178.773 176.600 0.232 0.000 0.997 109 E CA 1.287 57.785 56.400 0.162 0.000 0.810 109 E CB -1.214 28.572 29.700 0.143 0.000 0.738 109 E HN 0.528 nan 8.360 nan 0.000 0.467 110 H N -0.401 118.740 119.070 0.119 0.000 2.389 110 H HA -0.073 4.482 4.556 -0.002 0.000 0.299 110 H C 2.156 177.546 175.328 0.103 0.000 1.081 110 H CA 2.118 58.234 56.048 0.113 0.000 1.345 110 H CB -0.244 29.522 29.762 0.007 0.000 1.393 110 H HN 0.191 nan 8.280 nan 0.000 0.520 111 T N -0.106 114.430 114.554 -0.030 0.000 2.746 111 T HA -0.030 4.319 4.350 -0.002 0.000 0.267 111 T C -0.466 174.132 174.700 -0.169 0.000 1.039 111 T CA 1.133 63.157 62.100 -0.127 0.000 1.142 111 T CB -0.872 68.003 68.868 0.012 0.000 0.866 111 T HN 0.389 nan 8.240 nan 0.000 0.444 112 P HA -0.020 nan 4.420 nan 0.000 0.219 112 P C 0.775 177.866 177.300 -0.347 0.000 1.150 112 P CA 1.082 64.032 63.100 -0.249 0.000 0.814 112 P CB -0.328 31.188 31.700 -0.307 0.000 0.787 113 Y N 0.447 120.661 120.300 -0.143 0.000 2.200 113 Y HA -0.140 4.408 4.550 -0.002 0.000 0.290 113 Y C 2.973 178.772 175.900 -0.169 0.000 1.137 113 Y CA 1.131 59.153 58.100 -0.131 0.000 1.163 113 Y CB -0.764 37.639 38.460 -0.095 0.000 0.988 113 Y HN -0.165 nan 8.280 nan 0.000 0.518 114 R N 1.399 121.781 120.500 -0.196 0.000 2.091 114 R HA -0.135 4.203 4.340 -0.002 0.000 0.238 114 R C 1.765 178.005 176.300 -0.099 0.000 1.136 114 R CA 1.646 57.630 56.100 -0.194 0.000 0.959 114 R CB -0.404 29.667 30.300 -0.381 0.000 0.856 114 R HN 0.238 nan 8.270 nan 0.000 0.437 115 K N -0.336 119.993 120.400 -0.118 0.000 2.063 115 K HA -0.085 4.234 4.320 -0.002 0.000 0.208 115 K C 2.048 178.608 176.600 -0.068 0.000 1.048 115 K CA 1.479 57.716 56.287 -0.084 0.000 0.928 115 K CB -0.253 32.188 32.500 -0.098 0.000 0.713 115 K HN 0.268 nan 8.250 nan 0.000 0.442 116 A N 1.628 124.398 122.820 -0.083 0.000 1.877 116 A HA -0.160 4.158 4.320 -0.002 0.000 0.216 116 A C 2.139 179.717 177.584 -0.010 0.000 1.186 116 A CA 1.349 53.353 52.037 -0.054 0.000 0.620 116 A CB -0.602 18.362 19.000 -0.060 0.000 0.822 116 A HN 0.177 nan 8.150 nan 0.000 0.443 117 I N -0.070 120.505 120.570 0.009 0.000 2.226 117 I HA -0.230 3.939 4.170 -0.002 0.000 0.245 117 I C 1.619 177.750 176.117 0.023 0.000 1.100 117 I CA 1.453 62.772 61.300 0.031 0.000 1.374 117 I CB -0.487 37.541 38.000 0.047 0.000 1.057 117 I HN 0.246 nan 8.210 nan 0.000 0.413 118 D N 0.980 121.384 120.400 0.008 0.000 2.218 118 D HA -0.134 4.505 4.640 -0.002 0.000 0.204 118 D C 2.090 178.393 176.300 0.005 0.000 0.976 118 D CA 0.797 54.804 54.000 0.013 0.000 0.853 118 D CB -0.181 40.621 40.800 0.004 0.000 0.939 118 D HN 0.274 nan 8.370 nan 0.000 0.481 119 K N 0.284 120.681 120.400 -0.006 0.000 2.103 119 K HA -0.071 4.248 4.320 -0.002 0.000 0.207 119 K C 2.052 178.650 176.600 -0.002 0.000 1.048 119 K CA 1.162 57.443 56.287 -0.011 0.000 0.930 119 K CB -0.413 32.076 32.500 -0.018 0.000 0.716 119 K HN 0.207 nan 8.250 nan 0.000 0.444 120 G N 0.334 109.139 108.800 0.010 0.000 2.459 120 G HA2 -0.020 3.939 3.960 -0.002 0.000 0.213 120 G HA3 -0.020 3.939 3.960 -0.002 0.000 0.213 120 G C 1.334 176.253 174.900 0.031 0.000 1.155 120 G CA -0.101 45.009 45.100 0.017 0.000 0.811 120 G HN 0.132 nan 8.290 nan 0.000 0.534 121 L N 1.467 122.717 121.223 0.045 0.000 2.808 121 L HA 0.218 4.557 4.340 -0.002 0.000 0.246 121 L C 0.860 177.789 176.870 0.099 0.000 1.153 121 L CA -0.426 54.456 54.840 0.071 0.000 0.956 121 L CB -0.176 41.929 42.059 0.076 0.000 1.270 121 L HN 0.292 nan 8.230 nan 0.000 0.528 122 N N 0.411 119.142 118.700 0.052 0.000 2.344 122 N HA -0.104 4.635 4.740 -0.002 0.000 0.236 122 N C 1.136 176.581 175.510 -0.110 0.000 1.279 122 N CA -0.346 52.709 53.050 0.008 0.000 0.882 122 N CB 1.422 39.892 38.487 -0.029 0.000 1.110 122 N HN -0.033 nan 8.380 nan 0.000 0.436 123 L N 2.074 123.047 121.223 -0.416 0.000 2.042 123 L HA -0.157 4.182 4.340 -0.002 0.000 0.210 123 L C 2.559 179.304 176.870 -0.208 0.000 1.076 123 L CA 2.247 56.762 54.840 -0.541 0.000 0.749 123 L CB -1.123 40.459 42.059 -0.795 0.000 0.893 123 L HN 0.820 nan 8.230 nan 0.000 0.432 124 A N -0.989 121.742 122.820 -0.148 0.000 1.902 124 A HA -0.174 4.145 4.320 -0.002 0.000 0.217 124 A C 2.160 179.714 177.584 -0.049 0.000 1.181 124 A CA 1.621 53.610 52.037 -0.080 0.000 0.623 124 A CB -0.578 18.384 19.000 -0.063 0.000 0.818 124 A HN 0.526 nan 8.150 nan 0.000 0.443 125 E N 0.017 120.191 120.200 -0.043 0.000 2.051 125 E HA -0.160 4.189 4.350 -0.002 0.000 0.192 125 E C 2.034 178.631 176.600 -0.006 0.000 0.991 125 E CA 1.020 57.409 56.400 -0.019 0.000 0.799 125 E CB -0.407 29.287 29.700 -0.009 0.000 0.748 125 E HN 0.542 nan 8.360 nan 0.000 0.449 126 I N 0.894 121.463 120.570 -0.003 0.000 2.226 126 I HA -0.219 3.950 4.170 -0.002 0.000 0.245 126 I C 2.318 178.449 176.117 0.023 0.000 1.100 126 I CA 1.050 62.365 61.300 0.025 0.000 1.374 126 I CB -0.993 37.042 38.000 0.058 0.000 1.057 126 I HN 0.074 nan 8.210 nan 0.000 0.413 127 R N 0.862 121.363 120.500 0.001 0.000 2.127 127 R HA -0.178 4.160 4.340 -0.002 0.000 0.238 127 R C 2.121 178.431 176.300 0.017 0.000 1.134 127 R CA 1.115 57.221 56.100 0.010 0.000 0.975 127 R CB -0.227 30.068 30.300 -0.008 0.000 0.865 127 R HN 0.429 nan 8.270 nan 0.000 0.447 128 K N 0.465 120.870 120.400 0.009 0.000 2.280 128 K HA -0.094 4.225 4.320 -0.002 0.000 0.202 128 K C 1.715 178.327 176.600 0.020 0.000 1.047 128 K CA 0.917 57.210 56.287 0.010 0.000 0.942 128 K CB 0.005 32.507 32.500 0.002 0.000 0.739 128 K HN 0.233 nan 8.250 nan 0.000 0.457 129 L N 0.386 121.625 121.223 0.028 0.000 2.558 129 L HA 0.020 4.358 4.340 -0.002 0.000 0.225 129 L C 2.259 179.163 176.870 0.057 0.000 1.128 129 L CA 0.212 55.074 54.840 0.036 0.000 0.868 129 L CB -0.298 41.783 42.059 0.037 0.000 1.006 129 L HN 0.230 nan 8.230 nan 0.000 0.454 130 E N 1.241 121.477 120.200 0.061 0.000 2.033 130 E HA -0.284 4.065 4.350 -0.002 0.000 0.199 130 E C 1.433 178.084 176.600 0.085 0.000 1.011 130 E CA 1.984 58.432 56.400 0.081 0.000 0.815 130 E CB 0.155 29.898 29.700 0.071 0.000 0.755 130 E HN 0.395 nan 8.360 nan 0.000 0.451 131 D N 0.088 120.526 120.400 0.063 0.000 2.123 131 D HA -0.179 4.460 4.640 -0.002 0.000 0.196 131 D C 2.115 178.455 176.300 0.067 0.000 0.992 131 D CA 1.190 55.225 54.000 0.059 0.000 0.833 131 D CB -0.255 40.570 40.800 0.041 0.000 0.954 131 D HN 0.354 nan 8.370 nan 0.000 0.455 132 Q N -0.055 119.782 119.800 0.061 0.000 2.079 132 Q HA -0.051 4.288 4.340 -0.002 0.000 0.200 132 Q C 2.491 178.552 176.000 0.100 0.000 0.974 132 Q CA 0.731 56.571 55.803 0.063 0.000 0.840 132 Q CB 0.008 28.770 28.738 0.041 0.000 0.898 132 Q HN 0.337 nan 8.270 nan 0.000 0.430 133 I N 0.183 120.828 120.570 0.125 0.000 2.226 133 I HA -0.296 3.872 4.170 -0.002 0.000 0.245 133 I C 2.512 178.803 176.117 0.289 0.000 1.100 133 I CA 1.069 62.497 61.300 0.213 0.000 1.374 133 I CB -0.237 37.892 38.000 0.214 0.000 1.057 133 I HN 0.148 nan 8.210 nan 0.000 0.413 134 R N 0.292 120.909 120.500 0.194 0.000 2.083 134 R HA -0.168 4.170 4.340 -0.002 0.000 0.237 134 R C 2.349 178.722 176.300 0.122 0.000 1.137 134 R CA 2.253 58.442 56.100 0.148 0.000 0.951 134 R CB -0.328 30.032 30.300 0.100 0.000 0.851 134 R HN 0.321 nan 8.270 nan 0.000 0.434 135 T N 0.777 115.393 114.554 0.104 0.000 2.777 135 T HA -0.084 4.265 4.350 -0.002 0.000 0.266 135 T C 1.808 176.564 174.700 0.094 0.000 1.040 135 T CA 1.275 63.420 62.100 0.075 0.000 1.141 135 T CB -0.113 68.789 68.868 0.056 0.000 0.868 135 T HN 0.166 nan 8.240 nan 0.000 0.444 136 I N 1.450 122.105 120.570 0.143 0.000 2.179 136 I HA -0.182 3.986 4.170 -0.002 0.000 0.242 136 I C 2.955 179.212 176.117 0.234 0.000 1.088 136 I CA 1.134 62.543 61.300 0.181 0.000 1.357 136 I CB -0.541 37.580 38.000 0.201 0.000 1.051 136 I HN 0.185 nan 8.210 nan 0.000 0.409 137 A N 0.504 123.496 122.820 0.286 0.000 1.892 137 A HA -0.194 4.125 4.320 -0.002 0.000 0.218 137 A C 2.457 180.086 177.584 0.074 0.000 1.188 137 A CA 2.144 54.243 52.037 0.102 0.000 0.631 137 A CB -1.122 17.831 19.000 -0.079 0.000 0.822 137 A HN 0.245 nan 8.150 nan 0.000 0.447 138 V N 0.343 120.279 119.914 0.036 0.000 2.287 138 V HA -0.302 3.817 4.120 -0.002 0.000 0.248 138 V C 2.611 178.673 176.094 -0.052 0.000 1.053 138 V CA 2.392 64.674 62.300 -0.029 0.000 1.027 138 V CB -0.782 31.030 31.823 -0.018 0.000 0.646 138 V HN 0.820 nan 8.190 nan 0.000 0.447 139 E N 0.133 120.330 120.200 -0.006 0.000 2.070 139 E HA -0.264 4.085 4.350 -0.002 0.000 0.197 139 E C 2.166 178.733 176.600 -0.056 0.000 1.004 139 E CA 2.208 58.596 56.400 -0.020 0.000 0.805 139 E CB -0.208 29.502 29.700 0.016 0.000 0.744 139 E HN 0.636 nan 8.360 nan 0.000 0.451 140 I N 0.637 121.199 120.570 -0.013 0.000 2.163 140 I HA -0.261 3.908 4.170 -0.002 0.000 0.240 140 I C 2.572 178.482 176.117 -0.345 0.000 1.081 140 I CA 0.926 62.212 61.300 -0.022 0.000 1.353 140 I CB -0.252 37.844 38.000 0.161 0.000 1.054 140 I HN 0.146 nan 8.210 nan 0.000 0.407 141 I N 0.682 121.033 120.570 -0.364 0.000 2.208 141 I HA -0.309 3.860 4.170 -0.002 0.000 0.245 141 I C 2.452 178.036 176.117 -0.889 0.000 1.097 141 I CA 1.561 62.335 61.300 -0.878 0.000 1.363 141 I CB -0.483 37.200 38.000 -0.528 0.000 1.051 141 I HN 0.250 nan 8.210 nan 0.000 0.413 142 E N 0.680 120.603 120.200 -0.461 0.000 2.130 142 E HA -0.217 4.132 4.350 -0.002 0.000 0.196 142 E C 2.301 178.730 176.600 -0.285 0.000 0.998 142 E CA 1.171 57.388 56.400 -0.306 0.000 0.806 142 E CB -0.362 29.233 29.700 -0.174 0.000 0.738 142 E HN 0.646 nan 8.360 nan 0.000 0.459 143 G N 0.570 109.178 108.800 -0.321 0.000 2.479 143 G HA2 -0.230 3.729 3.960 -0.002 0.000 0.220 143 G HA3 -0.230 3.729 3.960 -0.002 0.000 0.220 143 G C 1.122 175.984 174.900 -0.063 0.000 1.115 143 G CA 1.099 46.100 45.100 -0.164 0.000 0.757 143 G HN 0.391 nan 8.290 nan 0.000 0.560 144 F N -2.167 117.792 119.950 0.016 0.000 2.817 144 F HA 0.681 5.207 4.527 -0.002 0.000 0.333 144 F C 2.037 177.920 175.800 0.138 0.000 1.085 144 F CA -0.497 57.530 58.000 0.045 0.000 1.170 144 F CB -0.257 38.804 39.000 0.103 0.000 1.066 144 F HN 0.066 nan 8.300 nan 0.000 0.564 145 A N 1.217 124.076 122.820 0.065 0.000 1.917 145 A HA -0.185 4.134 4.320 -0.002 0.000 0.219 145 A C 1.774 179.552 177.584 0.322 0.000 1.182 145 A CA 2.362 54.481 52.037 0.136 0.000 0.633 145 A CB -0.926 17.959 19.000 -0.193 0.000 0.819 145 A HN 0.392 nan 8.150 nan 0.000 0.448 146 D N -1.328 119.156 120.400 0.140 0.000 2.317 146 D HA -0.053 4.586 4.640 -0.002 0.000 0.211 146 D C 1.936 178.271 176.300 0.059 0.000 0.966 146 D CA 0.647 54.707 54.000 0.099 0.000 0.876 146 D CB -0.227 40.592 40.800 0.032 0.000 0.927 146 D HN 0.516 nan 8.370 nan 0.000 0.519 147 R N 0.134 120.649 120.500 0.025 0.000 2.153 147 R HA -0.005 4.334 4.340 -0.002 0.000 0.218 147 R C 1.286 177.379 176.300 -0.345 0.000 1.072 147 R CA 1.024 57.019 56.100 -0.175 0.000 0.990 147 R CB 0.093 30.206 30.300 -0.312 0.000 0.889 147 R HN 0.184 nan 8.270 nan 0.000 0.452 148 G N 0.736 109.206 108.800 -0.550 0.000 2.148 148 G HA2 -0.282 3.677 3.960 -0.002 0.000 0.254 148 G HA3 -0.282 3.677 3.960 -0.002 0.000 0.254 148 G C -0.263 173.663 174.900 -1.623 0.000 0.981 148 G CA 0.696 45.030 45.100 -1.278 0.000 0.670 148 G HN 0.695 nan 8.290 nan 0.000 0.528 149 H N -2.442 115.750 119.070 -1.464 0.000 3.094 149 H HA 0.596 5.150 4.556 -0.002 0.000 0.335 149 H C -0.318 174.796 175.328 -0.358 0.000 1.254 149 H CA -0.396 55.077 56.048 -0.958 0.000 1.240 149 H CB 1.149 30.647 29.762 -0.440 0.000 1.936 149 H HN 1.166 nan 8.280 nan 0.000 0.536 150 C N 1.048 120.353 119.300 0.009 0.000 3.285 150 C HA 0.520 4.979 4.460 -0.002 0.000 0.325 150 C C -0.510 174.527 174.990 0.077 0.000 1.304 150 C CA -0.859 58.144 59.018 -0.025 0.000 1.319 150 C CB 2.068 29.523 27.740 -0.474 0.000 1.640 150 C HN 0.942 nan 8.230 nan 0.000 0.477 151 E N 1.096 121.323 120.200 0.045 0.000 1.996 151 E HA 0.180 4.528 4.350 -0.002 0.000 0.280 151 E C 0.248 176.890 176.600 0.069 0.000 1.092 151 E CA -0.386 56.056 56.400 0.069 0.000 0.862 151 E CB 0.460 30.188 29.700 0.047 0.000 1.066 151 E HN 0.740 nan 8.360 nan 0.000 0.396 152 F N 4.669 124.601 119.950 -0.030 0.000 2.202 152 F HA -0.091 4.435 4.527 -0.002 0.000 0.301 152 F C 1.637 177.465 175.800 0.046 0.000 1.082 152 F CA 2.011 59.998 58.000 -0.022 0.000 1.313 152 F CB -0.017 38.926 39.000 -0.095 0.000 1.024 152 F HN 0.544 nan 8.300 nan 0.000 0.495 153 G N -0.244 108.557 108.800 0.001 0.000 2.524 153 G HA2 -0.315 3.644 3.960 -0.002 0.000 0.215 153 G HA3 -0.315 3.644 3.960 -0.002 0.000 0.215 153 G C 1.736 176.584 174.900 -0.086 0.000 1.239 153 G CA 1.336 46.392 45.100 -0.072 0.000 0.798 153 G HN 0.480 nan 8.290 nan 0.000 0.557 154 S N 0.199 115.880 115.700 -0.032 0.000 2.447 154 S HA 0.019 4.488 4.470 -0.002 0.000 0.233 154 S C 1.843 176.446 174.600 0.004 0.000 1.006 154 S CA 1.602 59.794 58.200 -0.014 0.000 0.957 154 S CB -0.092 63.111 63.200 0.006 0.000 0.773 154 S HN 0.591 nan 8.310 nan 0.000 0.507 155 E N -1.151 119.055 120.200 0.009 0.000 2.415 155 E HA 0.275 4.624 4.350 -0.002 0.000 0.197 155 E C 0.959 177.704 176.600 0.242 0.000 1.007 155 E CA 0.228 56.695 56.400 0.111 0.000 0.890 155 E CB 0.160 29.896 29.700 0.060 0.000 0.891 155 E HN 0.641 nan 8.360 nan 0.000 0.496 156 F N -0.245 119.615 119.950 -0.150 0.000 1.964 156 F HA -0.014 4.511 4.527 -0.002 0.000 0.248 156 F C 2.204 177.847 175.800 -0.262 0.000 1.051 156 F CA 0.802 58.708 58.000 -0.156 0.000 1.221 156 F CB -0.180 38.719 39.000 -0.169 0.000 1.497 156 F HN -0.094 nan 8.300 nan 0.000 0.653 157 S N -0.579 114.829 115.700 -0.486 0.000 2.399 157 S HA -0.173 4.295 4.470 -0.002 0.000 0.231 157 S C 1.731 176.248 174.600 -0.138 0.000 1.022 157 S CA 1.627 59.665 58.200 -0.270 0.000 0.983 157 S CB -1.473 61.586 63.200 -0.236 0.000 0.803 157 S HN 0.559 nan 8.310 nan 0.000 0.480 158 T N -1.349 113.123 114.554 -0.136 0.000 3.129 158 T HA 0.298 4.647 4.350 -0.002 0.000 0.251 158 T C 1.399 176.051 174.700 -0.079 0.000 1.117 158 T CA 0.415 62.472 62.100 -0.073 0.000 1.034 158 T CB -0.027 68.813 68.868 -0.047 0.000 0.968 158 T HN 0.275 nan 8.240 nan 0.000 0.526 159 V N -0.116 119.719 119.914 -0.132 0.000 2.599 159 V HA 0.197 4.316 4.120 -0.002 0.000 0.237 159 V C 1.882 177.905 176.094 -0.120 0.000 1.081 159 V CA 0.376 62.615 62.300 -0.101 0.000 1.107 159 V CB -0.796 30.988 31.823 -0.066 0.000 0.808 159 V HN 0.407 nan 8.190 nan 0.000 0.486 160 F N 3.308 122.986 119.950 -0.453 0.000 2.043 160 F HA -0.121 4.404 4.527 -0.002 0.000 0.297 160 F C -0.387 175.315 175.800 -0.165 0.000 1.121 160 F CA 2.371 60.116 58.000 -0.426 0.000 1.199 160 F CB -1.740 36.692 39.000 -0.947 0.000 0.968 160 F HN 0.207 nan 8.300 nan 0.000 0.478 161 P HA -0.106 nan 4.420 nan 0.000 0.221 161 P C 2.062 179.252 177.300 -0.183 0.000 1.150 161 P CA 1.508 64.367 63.100 -0.403 0.000 0.800 161 P CB -0.021 31.606 31.700 -0.121 0.000 0.787 162 V N -0.109 119.742 119.914 -0.105 0.000 2.379 162 V HA -0.158 3.960 4.120 -0.002 0.000 0.245 162 V C 2.552 178.644 176.094 -0.003 0.000 1.044 162 V CA 1.495 63.792 62.300 -0.005 0.000 1.036 162 V CB -0.813 31.007 31.823 -0.005 0.000 0.664 162 V HN 0.021 nan 8.190 nan 0.000 0.453 163 R N 0.045 120.511 120.500 -0.056 0.000 2.103 163 R HA -0.138 4.200 4.340 -0.002 0.000 0.242 163 R C 2.234 178.498 176.300 -0.061 0.000 1.142 163 R CA 1.441 57.515 56.100 -0.042 0.000 0.960 163 R CB -0.998 29.288 30.300 -0.024 0.000 0.858 163 R HN 0.445 nan 8.270 nan 0.000 0.439 164 V N 0.495 120.323 119.914 -0.144 0.000 2.307 164 V HA -0.221 3.898 4.120 -0.002 0.000 0.245 164 V C 2.094 178.162 176.094 -0.043 0.000 1.045 164 V CA 1.724 63.944 62.300 -0.134 0.000 1.024 164 V CB -0.601 31.041 31.823 -0.301 0.000 0.651 164 V HN 0.127 nan 8.190 nan 0.000 0.449 165 F N 0.076 119.956 119.950 -0.116 0.000 2.163 165 F HA -0.054 4.472 4.527 -0.002 0.000 0.297 165 F C 2.037 177.825 175.800 -0.021 0.000 1.094 165 F CA 1.449 59.414 58.000 -0.057 0.000 1.290 165 F CB -0.157 38.818 39.000 -0.041 0.000 1.017 165 F HN -0.009 nan 8.300 nan 0.000 0.483 166 L N -0.389 120.826 121.223 -0.013 0.000 2.141 166 L HA -0.154 4.184 4.340 -0.002 0.000 0.209 166 L C 2.706 179.502 176.870 -0.123 0.000 1.094 166 L CA 1.027 55.832 54.840 -0.058 0.000 0.763 166 L CB -1.106 40.980 42.059 0.045 0.000 0.908 166 L HN 0.213 nan 8.230 nan 0.000 0.437 167 A N 0.016 122.775 122.820 -0.102 0.000 1.898 167 A HA -0.198 4.120 4.320 -0.002 0.000 0.216 167 A C 2.191 179.693 177.584 -0.137 0.000 1.181 167 A CA 1.347 53.330 52.037 -0.089 0.000 0.620 167 A CB -0.589 18.380 19.000 -0.052 0.000 0.819 167 A HN 0.304 nan 8.150 nan 0.000 0.442 168 L N -0.158 120.942 121.223 -0.206 0.000 2.046 168 L HA -0.052 4.287 4.340 -0.002 0.000 0.208 168 L C 2.458 179.147 176.870 -0.302 0.000 1.077 168 L CA 2.223 56.919 54.840 -0.241 0.000 0.747 168 L CB -0.599 41.297 42.059 -0.272 0.000 0.896 168 L HN 0.313 nan 8.230 nan 0.000 0.432 169 A N -0.971 121.576 122.820 -0.456 0.000 2.206 169 A HA 0.334 4.653 4.320 -0.002 0.000 0.211 169 A C 1.602 179.088 177.584 -0.164 0.000 1.158 169 A CA 0.603 52.428 52.037 -0.354 0.000 0.761 169 A CB -1.117 17.613 19.000 -0.450 0.000 0.801 169 A HN 0.857 nan 8.150 nan 0.000 0.473 170 G N -0.862 107.858 108.800 -0.134 0.000 2.295 170 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.287 170 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.287 170 G C -0.143 174.733 174.900 -0.040 0.000 1.055 170 G CA 0.654 45.710 45.100 -0.072 0.000 0.922 170 G HN 0.489 nan 8.290 nan 0.000 0.503 171 L N -0.672 120.536 121.223 -0.025 0.000 2.341 171 L HA 0.549 4.888 4.340 -0.002 0.000 0.267 171 L C -2.066 174.832 176.870 0.045 0.000 1.009 171 L CA -2.694 52.167 54.840 0.034 0.000 0.819 171 L CB 2.151 44.273 42.059 0.106 0.000 1.323 171 L HN -0.133 nan 8.230 nan 0.000 0.425 172 P HA -0.028 nan 4.420 nan 0.000 0.266 172 P C 0.854 178.190 177.300 0.059 0.000 1.215 172 P CA -0.281 62.853 63.100 0.057 0.000 0.763 172 P CB 0.658 32.398 31.700 0.066 0.000 0.806 173 V N 2.702 122.638 119.914 0.036 0.000 2.568 173 V HA -0.273 3.846 4.120 -0.002 0.000 0.253 173 V C 1.689 177.799 176.094 0.027 0.000 1.072 173 V CA 1.981 64.299 62.300 0.030 0.000 1.084 173 V CB -1.507 30.327 31.823 0.018 0.000 0.676 173 V HN 0.608 nan 8.190 nan 0.000 0.469 174 E N 0.403 120.620 120.200 0.028 0.000 2.333 174 E HA -0.265 4.084 4.350 -0.002 0.000 0.198 174 E C 1.341 177.953 176.600 0.021 0.000 1.007 174 E CA 1.547 57.961 56.400 0.023 0.000 0.845 174 E CB -0.533 29.181 29.700 0.024 0.000 0.766 174 E HN 0.570 nan 8.360 nan 0.000 0.507 175 D N 0.839 121.261 120.400 0.036 0.000 2.363 175 D HA 0.070 4.708 4.640 -0.002 0.000 0.220 175 D C 1.742 178.010 176.300 -0.054 0.000 0.994 175 D CA 0.846 54.853 54.000 0.012 0.000 0.890 175 D CB 0.087 40.940 40.800 0.088 0.000 0.906 175 D HN 0.372 nan 8.370 nan 0.000 0.530 176 A N 0.229 123.037 122.820 -0.020 0.000 1.917 176 A HA -0.223 4.096 4.320 -0.002 0.000 0.219 176 A C 2.321 179.877 177.584 -0.047 0.000 1.182 176 A CA 1.990 54.013 52.037 -0.024 0.000 0.633 176 A CB -0.852 18.146 19.000 -0.003 0.000 0.819 176 A HN 0.209 nan 8.150 nan 0.000 0.448 177 T N 0.426 114.954 114.554 -0.043 0.000 2.643 177 T HA -0.177 4.172 4.350 -0.002 0.000 0.264 177 T C 1.975 176.628 174.700 -0.078 0.000 1.045 177 T CA 1.980 64.052 62.100 -0.047 0.000 1.155 177 T CB -0.319 68.529 68.868 -0.032 0.000 0.863 177 T HN 0.841 nan 8.240 nan 0.000 0.420 178 K N 1.365 121.704 120.400 -0.101 0.000 2.148 178 K HA 0.018 4.337 4.320 -0.002 0.000 0.204 178 K C 2.256 178.715 176.600 -0.236 0.000 1.050 178 K CA 1.230 57.429 56.287 -0.146 0.000 0.942 178 K CB -0.592 31.828 32.500 -0.132 0.000 0.724 178 K HN 0.279 nan 8.250 nan 0.000 0.446 179 L N 1.237 122.298 121.223 -0.270 0.000 2.093 179 L HA -0.043 4.296 4.340 -0.002 0.000 0.208 179 L C 2.773 179.555 176.870 -0.146 0.000 1.085 179 L CA 1.250 55.900 54.840 -0.317 0.000 0.755 179 L CB -0.820 41.084 42.059 -0.259 0.000 0.904 179 L HN 0.520 nan 8.230 nan 0.000 0.435 180 G N 0.112 108.865 108.800 -0.079 0.000 2.422 180 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.218 180 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.218 180 G C 1.634 176.514 174.900 -0.033 0.000 1.146 180 G CA 0.469 45.555 45.100 -0.024 0.000 0.769 180 G HN 0.218 nan 8.290 nan 0.000 0.547 181 L N -0.213 120.964 121.223 -0.076 0.000 2.093 181 L HA 0.053 4.392 4.340 -0.002 0.000 0.208 181 L C 2.881 179.702 176.870 -0.082 0.000 1.085 181 L CA 0.426 55.222 54.840 -0.073 0.000 0.755 181 L CB -0.347 41.662 42.059 -0.084 0.000 0.904 181 L HN 0.195 nan 8.230 nan 0.000 0.435 182 L N -0.382 120.737 121.223 -0.174 0.000 2.046 182 L HA -0.181 4.158 4.340 -0.002 0.000 0.208 182 L C 2.896 179.809 176.870 0.071 0.000 1.077 182 L CA 1.147 55.855 54.840 -0.220 0.000 0.747 182 L CB -0.750 40.841 42.059 -0.781 0.000 0.896 182 L HN 0.225 nan 8.230 nan 0.000 0.432 183 A N 0.351 123.267 122.820 0.160 0.000 1.902 183 A HA -0.219 4.100 4.320 -0.002 0.000 0.217 183 A C 2.054 179.756 177.584 0.196 0.000 1.181 183 A CA 1.932 54.143 52.037 0.290 0.000 0.623 183 A CB -0.591 18.551 19.000 0.237 0.000 0.818 183 A HN 0.431 nan 8.150 nan 0.000 0.443 184 N N 0.233 118.997 118.700 0.106 0.000 2.104 184 N HA -0.130 4.608 4.740 -0.002 0.000 0.190 184 N C 1.439 177.009 175.510 0.099 0.000 1.024 184 N CA 1.426 54.522 53.050 0.077 0.000 0.853 184 N CB -0.334 38.158 38.487 0.008 0.000 1.008 184 N HN 0.452 nan 8.380 nan 0.000 0.424 185 E N -0.080 120.169 120.200 0.082 0.000 2.358 185 E HA 0.017 4.366 4.350 -0.002 0.000 0.195 185 E C 1.715 178.396 176.600 0.135 0.000 1.010 185 E CA 0.282 56.726 56.400 0.074 0.000 0.856 185 E CB 0.018 29.731 29.700 0.021 0.000 0.795 185 E HN 0.370 nan 8.360 nan 0.000 0.504 186 M N -0.080 119.646 119.600 0.208 0.000 2.134 186 M HA -0.063 4.416 4.480 -0.002 0.000 0.262 186 M C 2.334 178.973 176.300 0.565 0.000 1.076 186 M CA 1.753 57.216 55.300 0.271 0.000 1.143 186 M CB -1.350 31.407 32.600 0.261 0.000 1.346 186 M HN 0.095 nan 8.290 nan 0.000 0.421 187 T N -1.954 112.898 114.554 0.496 0.000 3.051 187 T HA 0.129 4.478 4.350 -0.002 0.000 0.255 187 T C 1.087 176.034 174.700 0.413 0.000 1.085 187 T CA 0.181 62.589 62.100 0.514 0.000 1.109 187 T CB 0.060 69.126 68.868 0.331 0.000 0.921 187 T HN 0.323 nan 8.240 nan 0.000 0.488 188 R N 1.879 122.571 120.500 0.319 0.000 2.701 188 R HA 0.308 4.647 4.340 -0.002 0.000 0.281 188 R C -2.995 173.348 176.300 0.072 0.000 1.367 188 R CA -1.612 54.647 56.100 0.264 0.000 1.510 188 R CB 0.988 31.399 30.300 0.184 0.000 1.306 188 R HN 0.329 nan 8.270 nan 0.000 0.682 189 P HA -0.003 nan 4.420 nan 0.000 0.268 189 P C -0.107 177.105 177.300 -0.145 0.000 1.204 189 P CA 0.302 63.377 63.100 -0.042 0.000 0.768 189 P CB 1.064 32.758 31.700 -0.010 0.000 0.842 190 S N 1.172 116.821 115.700 -0.084 0.000 2.573 190 S HA 0.493 4.962 4.470 -0.002 0.000 0.277 190 S C 0.764 175.302 174.600 -0.102 0.000 1.346 190 S CA 1.093 59.242 58.200 -0.085 0.000 1.034 190 S CB -0.074 63.095 63.200 -0.052 0.000 0.879 190 S HN 0.967 nan 8.310 nan 0.000 0.528 191 G N 1.766 110.509 108.800 -0.095 0.000 2.335 191 G HA2 0.001 3.960 3.960 -0.002 0.000 0.592 191 G HA3 0.001 3.960 3.960 -0.002 0.000 0.592 191 G C -0.620 174.227 174.900 -0.088 0.000 1.442 191 G CA -0.891 44.159 45.100 -0.084 0.000 0.976 191 G HN 0.525 nan 8.290 nan 0.000 0.652 192 N N -0.495 118.166 118.700 -0.065 0.000 2.203 192 N HA 0.257 4.996 4.740 -0.002 0.000 0.207 192 N C 0.064 175.540 175.510 -0.057 0.000 1.130 192 N CA 0.600 53.622 53.050 -0.046 0.000 0.861 192 N CB 1.326 39.803 38.487 -0.016 0.000 1.005 192 N HN 0.556 nan 8.380 nan 0.000 0.507 193 T N 0.047 114.529 114.554 -0.120 0.000 2.923 193 T HA 0.265 4.614 4.350 -0.002 0.000 0.311 193 T C -2.063 172.496 174.700 -0.236 0.000 1.183 193 T CA -1.124 60.825 62.100 -0.253 0.000 1.020 193 T CB 2.860 71.635 68.868 -0.156 0.000 1.165 193 T HN -0.283 nan 8.240 nan 0.000 0.482 194 P HA -0.057 nan 4.420 nan 0.000 0.215 194 P C 1.101 178.357 177.300 -0.073 0.000 1.153 194 P CA 1.119 64.140 63.100 -0.132 0.000 0.853 194 P CB 0.372 32.011 31.700 -0.102 0.000 0.788 195 E N -0.602 119.547 120.200 -0.086 0.000 2.106 195 E HA -0.164 4.185 4.350 -0.002 0.000 0.192 195 E C 1.971 178.546 176.600 -0.042 0.000 0.984 195 E CA 0.986 57.362 56.400 -0.040 0.000 0.806 195 E CB -0.361 29.324 29.700 -0.025 0.000 0.750 195 E HN 0.361 nan 8.360 nan 0.000 0.458 196 E N 0.236 120.400 120.200 -0.061 0.000 2.047 196 E HA -0.211 4.137 4.350 -0.002 0.000 0.191 196 E C 2.153 178.719 176.600 -0.058 0.000 0.987 196 E CA 0.947 57.314 56.400 -0.054 0.000 0.799 196 E CB -0.024 29.640 29.700 -0.060 0.000 0.752 196 E HN 0.296 nan 8.360 nan 0.000 0.449 197 Q N -0.215 119.541 119.800 -0.074 0.000 2.084 197 Q HA -0.140 4.199 4.340 -0.002 0.000 0.202 197 Q C 2.323 178.309 176.000 -0.022 0.000 0.978 197 Q CA 1.252 57.011 55.803 -0.073 0.000 0.844 197 Q CB -0.260 28.410 28.738 -0.113 0.000 0.898 197 Q HN 0.336 nan 8.270 nan 0.000 0.426 198 G N 0.986 109.781 108.800 -0.008 0.000 2.446 198 G HA2 -0.283 3.676 3.960 -0.002 0.000 0.217 198 G HA3 -0.283 3.676 3.960 -0.002 0.000 0.217 198 G C 1.403 176.293 174.900 -0.018 0.000 1.168 198 G CA 0.632 45.735 45.100 0.004 0.000 0.771 198 G HN 0.213 nan 8.290 nan 0.000 0.551 199 R N 0.158 120.643 120.500 -0.024 0.000 2.075 199 R HA 0.005 4.344 4.340 -0.002 0.000 0.232 199 R C 3.050 179.329 176.300 -0.035 0.000 1.126 199 R CA 1.185 57.267 56.100 -0.030 0.000 0.963 199 R CB -0.427 29.858 30.300 -0.026 0.000 0.858 199 R HN 0.304 nan 8.270 nan 0.000 0.435 200 S N 1.312 116.992 115.700 -0.033 0.000 2.359 200 S HA -0.153 4.316 4.470 -0.002 0.000 0.223 200 S C 1.765 176.350 174.600 -0.025 0.000 1.039 200 S CA 1.354 59.535 58.200 -0.031 0.000 1.042 200 S CB -0.320 62.858 63.200 -0.036 0.000 0.915 200 S HN 0.234 nan 8.310 nan 0.000 0.439 201 L N 2.044 123.254 121.223 -0.022 0.000 2.093 201 L HA 0.028 4.366 4.340 -0.002 0.000 0.208 201 L C 2.106 178.925 176.870 -0.085 0.000 1.085 201 L CA 1.939 56.755 54.840 -0.041 0.000 0.755 201 L CB -1.575 40.448 42.059 -0.060 0.000 0.904 201 L HN 0.384 nan 8.230 nan 0.000 0.435 202 E N -0.180 119.971 120.200 -0.082 0.000 2.070 202 E HA -0.246 4.103 4.350 -0.002 0.000 0.197 202 E C 2.074 178.612 176.600 -0.102 0.000 1.004 202 E CA 1.624 57.962 56.400 -0.104 0.000 0.805 202 E CB -0.017 29.638 29.700 -0.076 0.000 0.744 202 E HN 0.617 nan 8.360 nan 0.000 0.451 203 A N 0.966 123.745 122.820 -0.069 0.000 1.898 203 A HA -0.057 4.262 4.320 -0.002 0.000 0.216 203 A C 2.364 179.911 177.584 -0.061 0.000 1.181 203 A CA 1.707 53.708 52.037 -0.060 0.000 0.620 203 A CB -0.686 18.287 19.000 -0.045 0.000 0.819 203 A HN 0.416 nan 8.150 nan 0.000 0.442 204 A N 0.089 122.882 122.820 -0.045 0.000 1.877 204 A HA -0.225 4.094 4.320 -0.002 0.000 0.216 204 A C 1.958 179.572 177.584 0.050 0.000 1.186 204 A CA 1.934 53.964 52.037 -0.012 0.000 0.620 204 A CB -0.849 18.177 19.000 0.044 0.000 0.822 204 A HN 0.669 nan 8.150 nan 0.000 0.443 205 N N -0.775 117.905 118.700 -0.033 0.000 2.166 205 N HA -0.191 4.548 4.740 -0.002 0.000 0.186 205 N C 1.846 177.203 175.510 -0.255 0.000 1.019 205 N CA 1.670 54.624 53.050 -0.159 0.000 0.856 205 N CB -0.147 38.108 38.487 -0.386 0.000 0.993 205 N HN 0.558 nan 8.380 nan 0.000 0.426 206 K N -0.152 120.125 120.400 -0.205 0.000 2.026 206 K HA -0.091 4.227 4.320 -0.002 0.000 0.208 206 K C 2.043 178.653 176.600 0.016 0.000 1.048 206 K CA 1.444 57.654 56.287 -0.128 0.000 0.929 206 K CB -0.431 32.017 32.500 -0.087 0.000 0.713 206 K HN 0.254 nan 8.250 nan 0.000 0.439 207 G N 0.513 109.305 108.800 -0.014 0.000 2.513 207 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.219 207 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.219 207 G C 1.331 176.243 174.900 0.020 0.000 1.160 207 G CA 1.067 46.146 45.100 -0.035 0.000 0.767 207 G HN 0.303 nan 8.290 nan 0.000 0.571 208 F N -0.318 119.680 119.950 0.079 0.000 2.126 208 F HA 0.001 4.527 4.527 -0.002 0.000 0.299 208 F C 2.461 178.467 175.800 0.344 0.000 1.096 208 F CA 0.899 59.009 58.000 0.183 0.000 1.255 208 F CB -0.226 38.857 39.000 0.138 0.000 0.997 208 F HN 0.033 nan 8.300 nan 0.000 0.479 209 F N 0.590 120.659 119.950 0.198 0.000 2.171 209 F HA -0.153 4.373 4.527 -0.002 0.000 0.300 209 F C 2.316 178.169 175.800 0.087 0.000 1.090 209 F CA 1.167 59.232 58.000 0.108 0.000 1.293 209 F CB -1.130 37.898 39.000 0.047 0.000 1.013 209 F HN 0.067 nan 8.300 nan 0.000 0.486 210 E N -1.547 118.816 120.200 0.271 0.000 2.107 210 E HA -0.242 4.106 4.350 -0.002 0.000 0.191 210 E C 2.008 178.693 176.600 0.141 0.000 0.982 210 E CA 1.028 57.520 56.400 0.154 0.000 0.809 210 E CB -0.408 29.357 29.700 0.108 0.000 0.756 210 E HN 0.442 nan 8.360 nan 0.000 0.459 211 Y N 0.538 120.874 120.300 0.060 0.000 2.181 211 Y HA -0.196 4.353 4.550 -0.002 0.000 0.288 211 Y C 2.055 177.991 175.900 0.061 0.000 1.146 211 Y CA 1.085 59.210 58.100 0.041 0.000 1.164 211 Y CB -0.073 38.398 38.460 0.019 0.000 0.982 211 Y HN -0.167 nan 8.280 nan 0.000 0.515 212 V N -0.043 119.951 119.914 0.134 0.000 2.649 212 V HA -0.124 3.995 4.120 -0.002 0.000 0.248 212 V C 2.516 178.571 176.094 -0.065 0.000 1.054 212 V CA 1.158 63.483 62.300 0.041 0.000 1.073 212 V CB -0.899 31.034 31.823 0.184 0.000 0.699 212 V HN 0.555 nan 8.190 nan 0.000 0.463 213 A N 1.061 123.852 122.820 -0.049 0.000 1.892 213 A HA -0.171 4.147 4.320 -0.002 0.000 0.218 213 A C 0.401 177.937 177.584 -0.081 0.000 1.188 213 A CA 2.394 54.389 52.037 -0.070 0.000 0.631 213 A CB -1.923 17.055 19.000 -0.036 0.000 0.822 213 A HN 0.559 nan 8.150 nan 0.000 0.447 214 P HA -0.012 nan 4.420 nan 0.000 0.222 214 P C 1.276 178.509 177.300 -0.112 0.000 1.153 214 P CA 0.660 63.700 63.100 -0.100 0.000 0.798 214 P CB -0.105 31.526 31.700 -0.115 0.000 0.796 215 I N -1.160 119.323 120.570 -0.145 0.000 2.252 215 I HA -0.190 3.978 4.170 -0.002 0.000 0.245 215 I C 2.245 178.315 176.117 -0.079 0.000 1.102 215 I CA 1.263 62.489 61.300 -0.124 0.000 1.385 215 I CB -0.526 37.388 38.000 -0.144 0.000 1.064 215 I HN -0.150 nan 8.210 nan 0.000 0.414 216 I N 0.954 121.479 120.570 -0.075 0.000 2.179 216 I HA -0.286 3.883 4.170 -0.002 0.000 0.242 216 I C 2.835 178.919 176.117 -0.054 0.000 1.088 216 I CA 1.447 62.711 61.300 -0.061 0.000 1.357 216 I CB -0.513 37.444 38.000 -0.072 0.000 1.051 216 I HN 0.167 nan 8.210 nan 0.000 0.409 217 A N 0.653 123.439 122.820 -0.057 0.000 1.908 217 A HA -0.202 4.117 4.320 -0.002 0.000 0.218 217 A C 2.442 180.000 177.584 -0.043 0.000 1.181 217 A CA 2.071 54.080 52.037 -0.047 0.000 0.627 217 A CB -0.849 18.124 19.000 -0.045 0.000 0.818 217 A HN 0.461 nan 8.150 nan 0.000 0.445 218 A N -1.253 121.537 122.820 -0.050 0.000 2.119 218 A HA 0.065 4.384 4.320 -0.002 0.000 0.216 218 A C 2.076 179.636 177.584 -0.039 0.000 1.152 218 A CA 1.097 53.107 52.037 -0.045 0.000 0.708 218 A CB -0.148 18.821 19.000 -0.052 0.000 0.805 218 A HN 0.537 nan 8.150 nan 0.000 0.460 219 R N -1.283 119.194 120.500 -0.040 0.000 2.487 219 R HA 0.176 4.515 4.340 -0.002 0.000 0.272 219 R C -0.103 176.180 176.300 -0.029 0.000 0.928 219 R CA -0.458 55.621 56.100 -0.034 0.000 1.077 219 R CB 0.376 30.655 30.300 -0.035 0.000 1.265 219 R HN 0.208 nan 8.270 nan 0.000 0.537 220 R N 1.415 121.897 120.500 -0.030 0.000 2.488 220 R HA -0.037 4.302 4.340 -0.002 0.000 0.317 220 R C 0.703 176.989 176.300 -0.023 0.000 0.941 220 R CA 1.254 57.339 56.100 -0.025 0.000 1.076 220 R CB -0.004 30.280 30.300 -0.026 0.000 0.917 220 R HN 0.509 nan 8.270 nan 0.000 0.407 221 G N 2.438 111.226 108.800 -0.021 0.000 2.166 221 G HA2 -0.283 3.676 3.960 -0.002 0.000 0.260 221 G HA3 -0.283 3.676 3.960 -0.002 0.000 0.260 221 G C 0.574 175.462 174.900 -0.020 0.000 0.986 221 G CA 0.218 45.306 45.100 -0.020 0.000 0.683 221 G HN 0.860 nan 8.290 nan 0.000 0.527 222 G N -0.617 108.170 108.800 -0.022 0.000 2.599 222 G HA2 0.561 4.519 3.960 -0.002 0.000 0.264 222 G HA3 0.561 4.519 3.960 -0.002 0.000 0.264 222 G C 1.097 175.984 174.900 -0.021 0.000 1.200 222 G CA 0.811 45.898 45.100 -0.022 0.000 0.896 222 G HN 1.263 nan 8.290 nan 0.000 0.536 223 S N -0.348 115.340 115.700 -0.020 0.000 2.556 223 S HA 0.254 4.723 4.470 -0.002 0.000 0.216 223 S C 1.300 175.888 174.600 -0.021 0.000 0.970 223 S CA 0.164 58.353 58.200 -0.019 0.000 0.912 223 S CB 0.015 63.204 63.200 -0.017 0.000 0.790 223 S HN 0.934 nan 8.310 nan 0.000 0.504 224 G N 1.780 110.566 108.800 -0.023 0.000 2.562 224 G HA2 0.320 4.278 3.960 -0.002 0.000 0.233 224 G HA3 0.320 4.278 3.960 -0.002 0.000 0.233 224 G C 0.693 175.577 174.900 -0.026 0.000 1.266 224 G CA 0.319 45.404 45.100 -0.025 0.000 0.852 224 G HN 0.484 nan 8.290 nan 0.000 0.581 225 T N -1.629 112.909 114.554 -0.027 0.000 3.092 225 T HA 0.149 4.498 4.350 -0.002 0.000 0.258 225 T C 0.630 175.309 174.700 -0.035 0.000 1.031 225 T CA 0.197 62.280 62.100 -0.028 0.000 0.925 225 T CB -0.171 68.683 68.868 -0.024 0.000 1.036 225 T HN 0.678 nan 8.240 nan 0.000 0.544 226 D N 1.288 121.663 120.400 -0.043 0.000 2.361 226 D HA -0.010 4.628 4.640 -0.002 0.000 0.239 226 D C 1.329 177.594 176.300 -0.060 0.000 1.200 226 D CA -0.609 53.355 54.000 -0.060 0.000 0.915 226 D CB 1.371 42.132 40.800 -0.066 0.000 1.170 226 D HN 0.032 nan 8.370 nan 0.000 0.444 227 L N 1.137 122.309 121.223 -0.085 0.000 2.042 227 L HA -0.179 4.160 4.340 -0.002 0.000 0.210 227 L C 2.275 179.124 176.870 -0.036 0.000 1.076 227 L CA 1.492 56.292 54.840 -0.067 0.000 0.749 227 L CB -0.456 41.535 42.059 -0.114 0.000 0.893 227 L HN 0.574 nan 8.230 nan 0.000 0.432 228 I N -1.006 119.537 120.570 -0.044 0.000 2.142 228 I HA -0.316 3.853 4.170 -0.002 0.000 0.240 228 I C 2.540 178.650 176.117 -0.012 0.000 1.078 228 I CA 1.845 63.138 61.300 -0.011 0.000 1.343 228 I CB -0.671 37.324 38.000 -0.007 0.000 1.046 228 I HN 0.499 nan 8.210 nan 0.000 0.405 229 T N -0.605 113.935 114.554 -0.023 0.000 2.867 229 T HA -0.165 4.184 4.350 -0.002 0.000 0.268 229 T C 2.041 176.731 174.700 -0.017 0.000 1.057 229 T CA 1.068 63.155 62.100 -0.021 0.000 1.136 229 T CB -0.246 68.606 68.868 -0.025 0.000 0.874 229 T HN 0.227 nan 8.240 nan 0.000 0.466 230 R N 0.265 120.754 120.500 -0.018 0.000 2.081 230 R HA 0.132 4.471 4.340 -0.002 0.000 0.235 230 R C 2.535 178.828 176.300 -0.010 0.000 1.131 230 R CA 1.885 57.975 56.100 -0.016 0.000 0.960 230 R CB -0.447 29.843 30.300 -0.017 0.000 0.856 230 R HN 0.466 nan 8.270 nan 0.000 0.436 231 I N 0.170 120.740 120.570 -0.001 0.000 2.277 231 I HA -0.218 3.951 4.170 -0.002 0.000 0.243 231 I C 2.321 178.444 176.117 0.009 0.000 1.094 231 I CA 0.774 62.080 61.300 0.009 0.000 1.393 231 I CB -0.199 37.820 38.000 0.031 0.000 1.078 231 I HN 0.177 nan 8.210 nan 0.000 0.417 232 L N 1.009 122.238 121.223 0.010 0.000 2.081 232 L HA -0.249 4.090 4.340 -0.002 0.000 0.212 232 L C 1.642 178.511 176.870 -0.002 0.000 1.080 232 L CA 1.732 56.578 54.840 0.009 0.000 0.754 232 L CB -0.399 41.659 42.059 -0.002 0.000 0.893 232 L HN 0.365 nan 8.230 nan 0.000 0.433 233 N N -0.833 117.860 118.700 -0.012 0.000 2.461 233 N HA 0.014 4.753 4.740 -0.002 0.000 0.188 233 N C 0.005 175.498 175.510 -0.029 0.000 1.134 233 N CA 0.109 53.147 53.050 -0.020 0.000 0.878 233 N CB 0.028 38.503 38.487 -0.021 0.000 0.972 233 N HN 0.026 nan 8.380 nan 0.000 0.456 234 V N 2.127 122.021 119.914 -0.034 0.000 2.521 234 V HA -0.009 4.110 4.120 -0.002 0.000 0.286 234 V C 0.726 176.775 176.094 -0.075 0.000 1.034 234 V CA -0.464 61.804 62.300 -0.054 0.000 1.045 234 V CB 0.419 32.205 31.823 -0.062 0.000 0.974 234 V HN 0.191 nan 8.190 nan 0.000 0.480 235 E N 4.726 124.881 120.200 -0.076 0.000 2.414 235 E HA 0.162 4.510 4.350 -0.002 0.000 0.263 235 E C -0.697 175.819 176.600 -0.140 0.000 1.000 235 E CA -0.199 56.150 56.400 -0.086 0.000 0.914 235 E CB 0.743 30.403 29.700 -0.066 0.000 0.948 235 E HN 0.376 nan 8.360 nan 0.000 0.444 236 I N 2.776 123.252 120.570 -0.157 0.000 2.330 236 I HA 0.050 4.219 4.170 -0.002 0.000 0.289 236 I C 0.277 176.319 176.117 -0.126 0.000 1.001 236 I CA -0.360 60.804 61.300 -0.227 0.000 1.193 236 I CB 0.601 38.388 38.000 -0.355 0.000 1.345 236 I HN 0.658 nan 8.210 nan 0.000 0.461 237 D N 5.432 125.765 120.400 -0.112 0.000 2.772 237 D HA -0.183 4.456 4.640 -0.002 0.000 0.233 237 D C 1.134 177.404 176.300 -0.050 0.000 1.143 237 D CA 1.430 55.390 54.000 -0.066 0.000 0.700 237 D CB -0.768 40.005 40.800 -0.044 0.000 1.076 237 D HN 1.163 nan 8.370 nan 0.000 0.430 238 G N -0.209 108.558 108.800 -0.056 0.000 2.143 238 G HA2 -0.321 3.638 3.960 -0.002 0.000 0.248 238 G HA3 -0.321 3.638 3.960 -0.002 0.000 0.248 238 G C 0.215 175.094 174.900 -0.036 0.000 0.991 238 G CA 0.964 46.038 45.100 -0.042 0.000 0.689 238 G HN 0.906 nan 8.290 nan 0.000 0.522 239 K N -1.889 118.486 120.400 -0.040 0.000 2.533 239 K HA 0.679 4.998 4.320 -0.002 0.000 0.284 239 K C -3.399 173.182 176.600 -0.032 0.000 1.025 239 K CA -2.335 53.934 56.287 -0.030 0.000 0.900 239 K CB 1.130 33.618 32.500 -0.020 0.000 1.519 239 K HN -0.075 nan 8.250 nan 0.000 0.432 240 P HA -0.002 nan 4.420 nan 0.000 0.267 240 P C -0.404 176.895 177.300 -0.002 0.000 1.200 240 P CA 0.126 63.217 63.100 -0.015 0.000 0.772 240 P CB 0.362 32.055 31.700 -0.011 0.000 0.855 241 M N 4.341 123.949 119.600 0.013 0.000 2.248 241 M HA 0.033 4.512 4.480 -0.002 0.000 0.343 241 M C -1.822 174.512 176.300 0.056 0.000 1.243 241 M CA -0.900 54.443 55.300 0.072 0.000 1.025 241 M CB -0.250 32.415 32.600 0.109 0.000 1.759 241 M HN 0.240 nan 8.290 nan 0.000 0.452 242 P HA -0.004 nan 4.420 nan 0.000 0.269 242 P C -0.246 177.052 177.300 -0.002 0.000 1.217 242 P CA -0.158 62.960 63.100 0.031 0.000 0.783 242 P CB 0.475 32.199 31.700 0.040 0.000 0.898 243 D N 1.020 121.404 120.400 -0.026 0.000 2.104 243 D HA -0.187 4.452 4.640 -0.002 0.000 0.194 243 D C 1.354 177.587 176.300 -0.112 0.000 0.994 243 D CA 1.821 55.782 54.000 -0.064 0.000 0.830 243 D CB -0.670 40.097 40.800 -0.055 0.000 0.959 243 D HN 0.555 nan 8.370 nan 0.000 0.452 244 D N 0.640 120.989 120.400 -0.085 0.000 2.104 244 D HA -0.193 4.446 4.640 -0.002 0.000 0.194 244 D C 1.857 178.063 176.300 -0.156 0.000 0.994 244 D CA 1.058 54.996 54.000 -0.104 0.000 0.830 244 D CB -0.445 40.338 40.800 -0.028 0.000 0.959 244 D HN 0.014 nan 8.370 nan 0.000 0.452 245 R N 0.586 121.011 120.500 -0.126 0.000 2.091 245 R HA 0.028 4.367 4.340 -0.002 0.000 0.238 245 R C 2.464 178.657 176.300 -0.178 0.000 1.136 245 R CA 1.385 57.365 56.100 -0.200 0.000 0.959 245 R CB -1.062 29.125 30.300 -0.189 0.000 0.856 245 R HN 0.403 nan 8.270 nan 0.000 0.437 246 A N 1.145 123.898 122.820 -0.112 0.000 1.933 246 A HA -0.117 4.202 4.320 -0.002 0.000 0.218 246 A C 2.401 179.869 177.584 -0.192 0.000 1.175 246 A CA 1.131 53.111 52.037 -0.095 0.000 0.628 246 A CB -0.523 18.437 19.000 -0.067 0.000 0.814 246 A HN 0.195 nan 8.150 nan 0.000 0.444 247 L N -0.908 120.100 121.223 -0.358 0.000 2.056 247 L HA -0.098 4.241 4.340 -0.002 0.000 0.207 247 L C 2.815 179.308 176.870 -0.630 0.000 1.078 247 L CA 1.122 55.548 54.840 -0.690 0.000 0.749 247 L CB -0.704 40.578 42.059 -1.295 0.000 0.901 247 L HN 0.479 nan 8.230 nan 0.000 0.433 248 G N -0.304 108.262 108.800 -0.390 0.000 2.422 248 G HA2 -0.210 3.749 3.960 -0.002 0.000 0.218 248 G HA3 -0.210 3.749 3.960 -0.002 0.000 0.218 248 G C 1.636 176.488 174.900 -0.080 0.000 1.140 248 G CA 0.472 45.535 45.100 -0.062 0.000 0.775 248 G HN 0.257 nan 8.290 nan 0.000 0.545 249 L N 0.412 121.572 121.223 -0.106 0.000 2.044 249 L HA 0.021 4.360 4.340 -0.002 0.000 0.205 249 L C 2.850 179.719 176.870 -0.002 0.000 1.075 249 L CA 0.865 55.680 54.840 -0.041 0.000 0.747 249 L CB -0.104 41.953 42.059 -0.003 0.000 0.903 249 L HN 0.086 nan 8.230 nan 0.000 0.435 250 V N -0.730 119.180 119.914 -0.008 0.000 2.427 250 V HA -0.209 3.910 4.120 -0.002 0.000 0.248 250 V C 2.565 178.707 176.094 0.079 0.000 1.051 250 V CA 1.769 64.099 62.300 0.049 0.000 1.048 250 V CB -0.407 31.440 31.823 0.041 0.000 0.666 250 V HN 0.435 nan 8.190 nan 0.000 0.456 251 S N 0.424 116.150 115.700 0.043 0.000 2.368 251 S HA -0.188 4.280 4.470 -0.002 0.000 0.225 251 S C 1.908 176.374 174.600 -0.223 0.000 1.030 251 S CA 1.772 59.962 58.200 -0.017 0.000 0.999 251 S CB -0.429 62.808 63.200 0.061 0.000 0.844 251 S HN 0.474 nan 8.310 nan 0.000 0.459 252 L N 1.790 122.933 121.223 -0.134 0.000 2.083 252 L HA 0.022 4.361 4.340 -0.002 0.000 0.209 252 L C 1.951 178.782 176.870 -0.066 0.000 1.083 252 L CA 1.454 56.221 54.840 -0.121 0.000 0.752 252 L CB -0.542 41.492 42.059 -0.042 0.000 0.899 252 L HN 0.256 nan 8.230 nan 0.000 0.433 253 L N -1.179 120.055 121.223 0.018 0.000 2.042 253 L HA -0.269 4.070 4.340 -0.002 0.000 0.210 253 L C 2.472 179.360 176.870 0.030 0.000 1.076 253 L CA 1.483 56.381 54.840 0.097 0.000 0.749 253 L CB -0.593 41.616 42.059 0.250 0.000 0.893 253 L HN 0.320 nan 8.230 nan 0.000 0.432 254 L N -1.211 120.069 121.223 0.096 0.000 2.056 254 L HA -0.212 4.127 4.340 -0.002 0.000 0.207 254 L C 2.513 179.341 176.870 -0.070 0.000 1.078 254 L CA 0.625 55.545 54.840 0.133 0.000 0.749 254 L CB -0.467 41.784 42.059 0.320 0.000 0.901 254 L HN 0.230 nan 8.230 nan 0.000 0.433 255 L N 0.373 121.480 121.223 -0.193 0.000 2.017 255 L HA -0.067 4.272 4.340 -0.002 0.000 0.208 255 L C 2.376 179.181 176.870 -0.107 0.000 1.073 255 L CA 2.201 56.936 54.840 -0.176 0.000 0.745 255 L CB -1.164 40.698 42.059 -0.327 0.000 0.894 255 L HN 0.140 nan 8.230 nan 0.000 0.432 256 G N -1.418 107.302 108.800 -0.133 0.000 2.422 256 G HA2 -0.169 3.790 3.960 -0.002 0.000 0.218 256 G HA3 -0.169 3.790 3.960 -0.002 0.000 0.218 256 G C 1.468 176.206 174.900 -0.271 0.000 1.140 256 G CA 0.530 45.557 45.100 -0.122 0.000 0.775 256 G HN 0.593 nan 8.290 nan 0.000 0.545 257 G N 0.120 108.558 108.800 -0.604 0.000 2.464 257 G HA2 0.093 4.052 3.960 -0.002 0.000 0.217 257 G HA3 0.093 4.052 3.960 -0.002 0.000 0.217 257 G C 1.603 176.131 174.900 -0.619 0.000 1.138 257 G CA 0.478 44.894 45.100 -1.139 0.000 0.793 257 G HN 0.420 nan 8.290 nan 0.000 0.539 258 L N -0.533 120.493 121.223 -0.328 0.000 2.327 258 L HA 0.200 4.539 4.340 -0.002 0.000 0.192 258 L C 2.324 179.180 176.870 -0.024 0.000 1.158 258 L CA 0.593 55.370 54.840 -0.105 0.000 0.813 258 L CB -0.490 41.562 42.059 -0.011 0.000 1.021 258 L HN -0.024 nan 8.230 nan 0.000 0.481 259 D N 0.120 120.527 120.400 0.013 0.000 2.190 259 D HA -0.182 4.457 4.640 -0.002 0.000 0.200 259 D C 2.042 178.398 176.300 0.093 0.000 0.992 259 D CA 1.956 55.995 54.000 0.065 0.000 0.854 259 D CB 0.130 40.987 40.800 0.095 0.000 0.936 259 D HN 0.417 nan 8.370 nan 0.000 0.462 260 T N -2.194 112.411 114.554 0.085 0.000 2.643 260 T HA -0.094 4.255 4.350 -0.002 0.000 0.256 260 T C 2.202 177.031 174.700 0.216 0.000 1.061 260 T CA 1.577 63.761 62.100 0.139 0.000 1.163 260 T CB -0.985 67.947 68.868 0.107 0.000 0.865 260 T HN -0.043 nan 8.240 nan 0.000 0.407 261 V N 1.854 121.879 119.914 0.186 0.000 2.332 261 V HA -0.158 3.961 4.120 -0.002 0.000 0.248 261 V C 2.998 179.265 176.094 0.288 0.000 1.055 261 V CA 1.491 63.949 62.300 0.263 0.000 1.038 261 V CB -0.991 30.942 31.823 0.183 0.000 0.651 261 V HN 0.401 nan 8.190 nan 0.000 0.450 262 V N 0.794 120.814 119.914 0.177 0.000 2.252 262 V HA -0.316 3.803 4.120 -0.002 0.000 0.249 262 V C 2.324 178.523 176.094 0.174 0.000 1.056 262 V CA 2.519 64.901 62.300 0.138 0.000 1.022 262 V CB -0.794 31.070 31.823 0.069 0.000 0.641 262 V HN 0.610 nan 8.190 nan 0.000 0.445 263 N N -0.767 118.055 118.700 0.202 0.000 2.216 263 N HA -0.117 4.622 4.740 -0.002 0.000 0.183 263 N C 1.767 177.505 175.510 0.380 0.000 1.017 263 N CA 1.450 54.638 53.050 0.230 0.000 0.861 263 N CB -0.394 38.244 38.487 0.252 0.000 0.986 263 N HN 0.541 nan 8.380 nan 0.000 0.428 264 F N 2.317 122.439 119.950 0.286 0.000 2.091 264 F HA -0.168 4.358 4.527 -0.002 0.000 0.299 264 F C 2.141 178.054 175.800 0.188 0.000 1.103 264 F CA 1.269 59.440 58.000 0.286 0.000 1.228 264 F CB -0.367 38.769 39.000 0.226 0.000 0.984 264 F HN -0.074 nan 8.300 nan 0.000 0.477 265 L N -0.036 121.359 121.223 0.286 0.000 2.046 265 L HA -0.173 4.166 4.340 -0.002 0.000 0.208 265 L C 2.857 179.794 176.870 0.111 0.000 1.077 265 L CA 1.375 56.340 54.840 0.208 0.000 0.747 265 L CB -1.618 40.705 42.059 0.440 0.000 0.896 265 L HN 0.381 nan 8.230 nan 0.000 0.432 266 G N -0.192 108.690 108.800 0.137 0.000 2.491 266 G HA2 -0.294 3.664 3.960 -0.002 0.000 0.218 266 G HA3 -0.294 3.664 3.960 -0.002 0.000 0.218 266 G C 1.340 176.109 174.900 -0.218 0.000 1.180 266 G CA 0.792 45.900 45.100 0.013 0.000 0.774 266 G HN 0.191 nan 8.290 nan 0.000 0.562 267 F N 0.185 120.052 119.950 -0.138 0.000 2.134 267 F HA 0.051 4.577 4.527 -0.002 0.000 0.299 267 F C 2.785 178.102 175.800 -0.806 0.000 1.097 267 F CA 1.538 59.415 58.000 -0.205 0.000 1.264 267 F CB -0.375 38.651 39.000 0.043 0.000 1.001 267 F HN 0.076 nan 8.300 nan 0.000 0.479 268 M N -0.782 118.151 119.600 -1.111 0.000 2.117 268 M HA -0.260 4.219 4.480 -0.002 0.000 0.262 268 M C 2.202 178.028 176.300 -0.790 0.000 1.065 268 M CA 1.815 56.130 55.300 -1.643 0.000 1.114 268 M CB -0.193 31.674 32.600 -1.222 0.000 1.361 268 M HN 0.267 nan 8.290 nan 0.000 0.408 269 M N 0.571 119.819 119.600 -0.588 0.000 2.200 269 M HA -0.027 4.452 4.480 -0.002 0.000 0.265 269 M C 1.681 177.774 176.300 -0.346 0.000 1.066 269 M CA 1.539 56.472 55.300 -0.612 0.000 1.127 269 M CB -0.453 31.373 32.600 -1.291 0.000 1.379 269 M HN 0.309 nan 8.290 nan 0.000 0.420 270 I N -1.323 119.105 120.570 -0.236 0.000 2.151 270 I HA -0.369 3.800 4.170 -0.002 0.000 0.243 270 I C 2.236 178.379 176.117 0.043 0.000 1.080 270 I CA 1.715 62.983 61.300 -0.053 0.000 1.339 270 I CB -0.587 37.451 38.000 0.065 0.000 1.039 270 I HN 0.317 nan 8.210 nan 0.000 0.409 271 Y N 1.361 121.626 120.300 -0.058 0.000 2.114 271 Y HA -0.251 4.297 4.550 -0.002 0.000 0.284 271 Y C 2.385 178.364 175.900 0.132 0.000 1.143 271 Y CA 1.676 59.847 58.100 0.119 0.000 1.135 271 Y CB -0.192 38.399 38.460 0.218 0.000 0.980 271 Y HN -0.008 nan 8.280 nan 0.000 0.499 272 L N -0.017 121.328 121.223 0.202 0.000 2.079 272 L HA -0.269 4.070 4.340 -0.002 0.000 0.210 272 L C 2.692 179.493 176.870 -0.115 0.000 1.081 272 L CA 1.720 56.618 54.840 0.097 0.000 0.752 272 L CB -0.971 41.145 42.059 0.096 0.000 0.896 272 L HN 0.404 nan 8.230 nan 0.000 0.433 273 S N -0.275 115.402 115.700 -0.039 0.000 2.469 273 S HA -0.156 4.312 4.470 -0.002 0.000 0.238 273 S C 1.866 176.343 174.600 -0.204 0.000 0.998 273 S CA 0.755 58.890 58.200 -0.109 0.000 0.957 273 S CB -0.241 63.006 63.200 0.078 0.000 0.764 273 S HN 0.457 nan 8.310 nan 0.000 0.514 274 R N -0.375 119.985 120.500 -0.234 0.000 2.397 274 R HA 0.250 4.589 4.340 -0.002 0.000 0.241 274 R C -0.374 175.478 176.300 -0.745 0.000 0.914 274 R CA 0.125 55.978 56.100 -0.412 0.000 1.071 274 R CB 0.240 30.293 30.300 -0.410 0.000 1.116 274 R HN 0.530 nan 8.270 nan 0.000 0.524 275 H N 0.057 118.928 119.070 -0.331 0.000 2.380 275 H HA 0.159 4.714 4.556 -0.002 0.000 0.231 275 H C -1.842 173.360 175.328 -0.210 0.000 1.415 275 H CA -1.728 54.153 56.048 -0.279 0.000 1.433 275 H CB 1.079 30.626 29.762 -0.357 0.000 1.544 275 H HN -0.035 nan 8.280 nan 0.000 0.503 276 P HA -0.188 nan 4.420 nan 0.000 0.220 276 P C 1.330 178.579 177.300 -0.085 0.000 1.148 276 P CA 1.071 64.067 63.100 -0.174 0.000 0.803 276 P CB 0.765 32.368 31.700 -0.162 0.000 0.782 277 E N -0.451 119.726 120.200 -0.038 0.000 2.072 277 E HA -0.140 4.209 4.350 -0.002 0.000 0.191 277 E C 2.150 178.761 176.600 0.018 0.000 0.985 277 E CA 1.860 58.258 56.400 -0.004 0.000 0.801 277 E CB -0.356 29.351 29.700 0.012 0.000 0.750 277 E HN 0.223 nan 8.360 nan 0.000 0.452 278 T N -1.321 113.260 114.554 0.046 0.000 2.904 278 T HA -0.060 4.289 4.350 -0.002 0.000 0.267 278 T C 1.903 176.628 174.700 0.042 0.000 1.059 278 T CA 1.067 63.204 62.100 0.062 0.000 1.137 278 T CB -0.192 68.741 68.868 0.108 0.000 0.879 278 T HN 0.003 nan 8.240 nan 0.000 0.467 279 V N 2.190 122.106 119.914 0.002 0.000 2.287 279 V HA -0.106 4.012 4.120 -0.002 0.000 0.248 279 V C 3.257 179.356 176.094 0.008 0.000 1.053 279 V CA 1.913 64.202 62.300 -0.017 0.000 1.027 279 V CB -1.523 30.197 31.823 -0.171 0.000 0.646 279 V HN 0.699 nan 8.190 nan 0.000 0.447 280 A N -0.543 122.272 122.820 -0.009 0.000 1.908 280 A HA -0.305 4.014 4.320 -0.002 0.000 0.218 280 A C 2.299 179.897 177.584 0.022 0.000 1.181 280 A CA 2.163 54.204 52.037 0.007 0.000 0.627 280 A CB -0.551 18.448 19.000 -0.003 0.000 0.818 280 A HN 0.655 nan 8.150 nan 0.000 0.445 281 E N -0.680 119.535 120.200 0.025 0.000 2.051 281 E HA -0.200 4.149 4.350 -0.002 0.000 0.192 281 E C 2.081 178.705 176.600 0.040 0.000 0.991 281 E CA 1.359 57.778 56.400 0.031 0.000 0.799 281 E CB -0.217 29.502 29.700 0.033 0.000 0.748 281 E HN 0.651 nan 8.360 nan 0.000 0.449 282 M N 0.237 119.865 119.600 0.047 0.000 2.080 282 M HA -0.206 4.273 4.480 -0.002 0.000 0.260 282 M C 2.656 178.991 176.300 0.058 0.000 1.068 282 M CA 1.637 56.971 55.300 0.057 0.000 1.109 282 M CB -0.322 32.319 32.600 0.069 0.000 1.342 282 M HN 0.087 nan 8.290 nan 0.000 0.405 283 R N 0.221 120.756 120.500 0.058 0.000 2.081 283 R HA -0.127 4.212 4.340 -0.002 0.000 0.235 283 R C 2.131 178.457 176.300 0.043 0.000 1.131 283 R CA 1.315 57.450 56.100 0.057 0.000 0.960 283 R CB -0.015 30.321 30.300 0.058 0.000 0.856 283 R HN 0.261 nan 8.270 nan 0.000 0.436 284 R N 0.619 121.141 120.500 0.036 0.000 2.115 284 R HA 0.030 4.368 4.340 -0.002 0.000 0.226 284 R C 0.114 176.433 176.300 0.031 0.000 1.100 284 R CA 0.899 57.017 56.100 0.030 0.000 0.980 284 R CB 0.048 30.363 30.300 0.025 0.000 0.875 284 R HN 0.385 nan 8.270 nan 0.000 0.445 285 E N 0.551 120.771 120.200 0.035 0.000 2.437 285 E HA 0.181 4.530 4.350 -0.002 0.000 0.238 285 E C -2.097 174.527 176.600 0.041 0.000 0.969 285 E CA -1.786 54.635 56.400 0.035 0.000 0.759 285 E CB 1.700 31.420 29.700 0.033 0.000 1.283 285 E HN -0.108 nan 8.360 nan 0.000 0.416 286 P HA -0.201 nan 4.420 nan 0.000 0.217 286 P C 1.173 178.503 177.300 0.050 0.000 1.148 286 P CA 0.759 63.887 63.100 0.046 0.000 0.828 286 P CB 0.321 32.046 31.700 0.041 0.000 0.783 287 L N -1.011 120.239 121.223 0.045 0.000 2.141 287 L HA -0.098 4.241 4.340 -0.002 0.000 0.209 287 L C 2.162 179.062 176.870 0.051 0.000 1.094 287 L CA 1.813 56.682 54.840 0.047 0.000 0.763 287 L CB -1.523 40.560 42.059 0.040 0.000 0.908 287 L HN -0.156 nan 8.230 nan 0.000 0.437 288 K N -0.394 120.034 120.400 0.048 0.000 2.057 288 K HA -0.111 4.208 4.320 -0.002 0.000 0.206 288 K C 2.081 178.716 176.600 0.058 0.000 1.050 288 K CA 1.007 57.323 56.287 0.049 0.000 0.935 288 K CB -0.684 31.842 32.500 0.043 0.000 0.715 288 K HN 0.177 nan 8.250 nan 0.000 0.439 289 L N 0.651 121.911 121.223 0.062 0.000 1.955 289 L HA -0.361 3.978 4.340 -0.002 0.000 0.213 289 L C 2.210 179.131 176.870 0.085 0.000 1.072 289 L CA 1.689 56.573 54.840 0.073 0.000 0.755 289 L CB -0.275 41.828 42.059 0.074 0.000 0.888 289 L HN 0.277 nan 8.230 nan 0.000 0.432 290 Q N -0.525 119.325 119.800 0.083 0.000 2.061 290 Q HA -0.252 4.087 4.340 -0.002 0.000 0.204 290 Q C 2.221 178.282 176.000 0.100 0.000 0.984 290 Q CA 2.147 58.007 55.803 0.095 0.000 0.846 290 Q CB -0.102 28.685 28.738 0.082 0.000 0.902 290 Q HN 0.468 nan 8.270 nan 0.000 0.421 291 R N -0.715 119.835 120.500 0.084 0.000 2.276 291 R HA -0.005 4.334 4.340 -0.002 0.000 0.203 291 R C 1.918 178.271 176.300 0.088 0.000 1.017 291 R CA 0.862 57.012 56.100 0.083 0.000 1.010 291 R CB 0.031 30.370 30.300 0.065 0.000 0.900 291 R HN 0.244 nan 8.270 nan 0.000 0.469 292 G N -0.335 108.516 108.800 0.085 0.000 2.939 292 G HA2 -0.032 3.926 3.960 -0.002 0.000 0.210 292 G HA3 -0.032 3.926 3.960 -0.002 0.000 0.210 292 G C 1.250 176.208 174.900 0.098 0.000 1.160 292 G CA -0.178 44.967 45.100 0.075 0.000 0.770 292 G HN 0.055 nan 8.290 nan 0.000 0.543 293 V N 0.799 120.796 119.914 0.138 0.000 2.332 293 V HA -0.182 3.937 4.120 -0.002 0.000 0.248 293 V C 2.697 178.953 176.094 0.269 0.000 1.055 293 V CA 2.257 64.670 62.300 0.188 0.000 1.038 293 V CB -0.165 31.806 31.823 0.246 0.000 0.651 293 V HN 0.392 nan 8.190 nan 0.000 0.450 294 E N 0.333 120.700 120.200 0.278 0.000 2.153 294 E HA -0.235 4.114 4.350 -0.002 0.000 0.194 294 E C 2.056 178.774 176.600 0.198 0.000 0.988 294 E CA 1.378 57.977 56.400 0.332 0.000 0.811 294 E CB -0.247 29.610 29.700 0.262 0.000 0.746 294 E HN 0.661 nan 8.360 nan 0.000 0.466 295 E N 0.086 120.339 120.200 0.088 0.000 2.118 295 E HA -0.166 4.183 4.350 -0.002 0.000 0.195 295 E C 1.870 178.403 176.600 -0.112 0.000 0.992 295 E CA 1.359 57.736 56.400 -0.037 0.000 0.804 295 E CB -0.351 29.319 29.700 -0.051 0.000 0.741 295 E HN 0.385 nan 8.360 nan 0.000 0.458 296 L N -0.718 120.496 121.223 -0.016 0.000 2.093 296 L HA -0.089 4.250 4.340 -0.002 0.000 0.208 296 L C 2.300 179.222 176.870 0.086 0.000 1.085 296 L CA 1.045 55.910 54.840 0.041 0.000 0.755 296 L CB -0.504 41.641 42.059 0.143 0.000 0.904 296 L HN 0.149 nan 8.230 nan 0.000 0.435 297 F N 0.028 120.036 119.950 0.096 0.000 2.171 297 F HA -0.197 4.329 4.527 -0.002 0.000 0.300 297 F C 2.887 178.327 175.800 -0.601 0.000 1.090 297 F CA 1.219 59.093 58.000 -0.209 0.000 1.293 297 F CB -0.299 38.425 39.000 -0.461 0.000 1.013 297 F HN -0.022 nan 8.300 nan 0.000 0.486 298 R N 0.561 120.772 120.500 -0.482 0.000 2.091 298 R HA -0.217 4.122 4.340 -0.002 0.000 0.238 298 R C 2.335 178.354 176.300 -0.468 0.000 1.136 298 R CA 1.670 57.471 56.100 -0.497 0.000 0.959 298 R CB -0.192 29.912 30.300 -0.327 0.000 0.856 298 R HN 0.078 nan 8.270 nan 0.000 0.437 299 R N -0.192 119.944 120.500 -0.606 0.000 2.119 299 R HA -0.003 4.336 4.340 -0.002 0.000 0.222 299 R C 0.192 175.729 176.300 -1.271 0.000 1.088 299 R CA 1.264 56.750 56.100 -1.024 0.000 0.984 299 R CB 0.082 29.491 30.300 -1.484 0.000 0.884 299 R HN 0.217 nan 8.270 nan 0.000 0.447 300 F N 0.639 120.373 119.950 -0.360 0.000 2.739 300 F HA 0.541 5.067 4.527 -0.002 0.000 0.345 300 F C 0.242 176.092 175.800 0.083 0.000 1.373 300 F CA -0.756 56.999 58.000 -0.408 0.000 1.160 300 F CB 0.232 38.876 39.000 -0.592 0.000 1.137 300 F HN -0.009 nan 8.300 nan 0.000 0.524 301 A N 0.071 123.014 122.820 0.205 0.000 2.507 301 A HA 0.340 4.659 4.320 -0.002 0.000 0.235 301 A C 0.890 178.675 177.584 0.335 0.000 1.070 301 A CA 0.230 52.407 52.037 0.234 0.000 0.768 301 A CB 0.666 19.730 19.000 0.107 0.000 1.011 301 A HN 0.384 nan 8.150 nan 0.000 0.502 302 V N 1.603 121.625 119.914 0.180 0.000 3.408 302 V HA 0.073 4.192 4.120 -0.002 0.000 0.263 302 V C 0.064 176.155 176.094 -0.004 0.000 1.503 302 V CA 0.423 62.737 62.300 0.023 0.000 1.046 302 V CB 0.768 32.681 31.823 0.151 0.000 0.851 302 V HN 0.587 nan 8.190 nan 0.000 0.435 303 V N 1.150 121.091 119.914 0.046 0.000 2.439 303 V HA 0.502 4.620 4.120 -0.002 0.000 0.282 303 V C -0.046 176.040 176.094 -0.013 0.000 1.039 303 V CA 0.031 62.334 62.300 0.005 0.000 0.913 303 V CB 1.518 33.346 31.823 0.008 0.000 0.983 303 V HN 0.347 nan 8.190 nan 0.000 0.460 304 S N 3.780 119.435 115.700 -0.074 0.000 2.664 304 S HA 0.468 4.937 4.470 -0.002 0.000 0.262 304 S C -0.662 173.784 174.600 -0.257 0.000 1.229 304 S CA -0.961 57.148 58.200 -0.151 0.000 1.151 304 S CB 0.644 63.798 63.200 -0.077 0.000 1.054 304 S HN 0.977 nan 8.310 nan 0.000 0.483 305 D N 1.702 121.971 120.400 -0.218 0.000 2.689 305 D HA 0.871 5.509 4.640 -0.002 0.000 0.255 305 D C -0.161 176.007 176.300 -0.220 0.000 1.113 305 D CA -0.937 52.887 54.000 -0.293 0.000 1.115 305 D CB 0.840 41.468 40.800 -0.287 0.000 1.334 305 D HN 0.454 nan 8.370 nan 0.000 0.621 306 A N -1.170 121.546 122.820 -0.174 0.000 2.437 306 A HA 0.874 5.193 4.320 -0.002 0.000 0.292 306 A C -0.595 176.948 177.584 -0.068 0.000 1.173 306 A CA -0.798 51.159 52.037 -0.134 0.000 0.785 306 A CB 1.518 20.455 19.000 -0.105 0.000 1.351 306 A HN 0.405 nan 8.150 nan 0.000 0.431 307 R N -1.305 119.179 120.500 -0.027 0.000 2.836 307 R HA 0.398 4.737 4.340 -0.002 0.000 0.269 307 R C -2.075 174.339 176.300 0.190 0.000 1.010 307 R CA -0.487 55.657 56.100 0.074 0.000 0.930 307 R CB 1.510 31.832 30.300 0.036 0.000 1.218 307 R HN 0.758 nan 8.270 nan 0.000 0.473 308 Y N 0.717 121.078 120.300 0.101 0.000 2.328 308 Y HA 0.302 4.851 4.550 -0.002 0.000 0.337 308 Y C -0.304 175.652 175.900 0.093 0.000 0.966 308 Y CA -0.694 57.468 58.100 0.104 0.000 1.136 308 Y CB 1.264 39.768 38.460 0.073 0.000 1.170 308 Y HN 0.238 nan 8.280 nan 0.000 0.470 309 V N 8.346 128.194 119.914 -0.109 0.000 2.425 309 V HA -0.064 4.054 4.120 -0.002 0.000 0.276 309 V C 1.004 177.003 176.094 -0.158 0.000 1.017 309 V CA 0.252 62.459 62.300 -0.155 0.000 1.062 309 V CB 0.302 32.049 31.823 -0.127 0.000 0.997 309 V HN 0.934 nan 8.190 nan 0.000 0.476 310 V N 4.055 123.908 119.914 -0.102 0.000 2.343 310 V HA -0.090 4.029 4.120 -0.002 0.000 0.247 310 V C 1.024 177.095 176.094 -0.038 0.000 1.051 310 V CA 1.605 63.915 62.300 0.017 0.000 1.036 310 V CB -0.107 31.689 31.823 -0.044 0.000 0.654 310 V HN 0.879 nan 8.190 nan 0.000 0.451 311 S N -1.424 114.195 115.700 -0.135 0.000 2.564 311 S HA 0.379 4.847 4.470 -0.002 0.000 0.274 311 S C -1.304 173.220 174.600 -0.128 0.000 1.124 311 S CA -0.858 57.278 58.200 -0.107 0.000 0.869 311 S CB 1.839 64.978 63.200 -0.102 0.000 1.105 311 S HN 0.318 nan 8.310 nan 0.000 0.472 312 D N 2.764 123.107 120.400 -0.096 0.000 2.571 312 D HA 0.304 4.943 4.640 -0.002 0.000 0.231 312 D C 0.229 176.479 176.300 -0.082 0.000 1.133 312 D CA 0.918 54.863 54.000 -0.092 0.000 0.862 312 D CB 0.020 40.775 40.800 -0.075 0.000 1.179 312 D HN 0.591 nan 8.370 nan 0.000 0.474 313 M N -0.858 118.703 119.600 -0.066 0.000 2.790 313 M HA 0.392 4.871 4.480 -0.002 0.000 0.272 313 M C -1.524 174.782 176.300 0.011 0.000 1.168 313 M CA -0.951 54.324 55.300 -0.041 0.000 0.829 313 M CB 2.534 35.079 32.600 -0.092 0.000 1.675 313 M HN 0.086 nan 8.290 nan 0.000 0.505 314 E N 1.309 121.535 120.200 0.044 0.000 2.166 314 E HA 0.621 4.970 4.350 -0.002 0.000 0.275 314 E C -2.305 174.396 176.600 0.169 0.000 0.941 314 E CA -0.558 55.886 56.400 0.074 0.000 0.784 314 E CB 1.836 31.559 29.700 0.038 0.000 1.115 314 E HN 0.569 nan 8.360 nan 0.000 0.399 315 F N 4.656 124.593 119.950 -0.022 0.000 2.536 315 F HA 0.255 4.781 4.527 -0.001 0.000 0.322 315 F C -0.440 175.393 175.800 0.055 0.000 1.144 315 F CA -0.589 57.428 58.000 0.029 0.000 0.924 315 F CB 0.682 39.763 39.000 0.134 0.000 1.181 315 F HN 0.646 nan 8.300 nan 0.000 0.438 316 H N 4.264 123.051 119.070 -0.472 0.000 2.506 316 H HA -0.187 4.367 4.556 -0.002 0.000 0.323 316 H C 1.415 176.631 175.328 -0.187 0.000 1.076 316 H CA 1.211 57.025 56.048 -0.390 0.000 1.108 316 H CB -0.990 28.438 29.762 -0.558 0.000 1.569 316 H HN 1.211 nan 8.280 nan 0.000 0.399 317 G N 0.497 109.262 108.800 -0.058 0.000 2.166 317 G HA2 -0.316 3.643 3.960 -0.002 0.000 0.260 317 G HA3 -0.316 3.643 3.960 -0.002 0.000 0.260 317 G C 0.295 175.204 174.900 0.014 0.000 0.986 317 G CA 0.853 45.946 45.100 -0.011 0.000 0.683 317 G HN 0.617 nan 8.290 nan 0.000 0.527 318 T N 0.760 115.313 114.554 -0.000 0.000 2.812 318 T HA 0.592 4.941 4.350 -0.002 0.000 0.282 318 T C 0.245 174.937 174.700 -0.013 0.000 0.990 318 T CA -0.380 61.700 62.100 -0.034 0.000 0.960 318 T CB 1.686 70.446 68.868 -0.180 0.000 0.948 318 T HN 0.408 nan 8.240 nan 0.000 0.438 319 M N 5.393 125.025 119.600 0.054 0.000 2.184 319 M HA 0.399 4.878 4.480 -0.002 0.000 0.351 319 M C -1.497 174.912 176.300 0.180 0.000 1.395 319 M CA -0.015 55.352 55.300 0.112 0.000 1.117 319 M CB -0.099 32.596 32.600 0.159 0.000 1.708 319 M HN 0.524 nan 8.290 nan 0.000 0.468 320 L N 5.217 126.490 121.223 0.083 0.000 2.333 320 L HA 0.645 4.984 4.340 -0.002 0.000 0.269 320 L C -0.374 176.474 176.870 -0.037 0.000 1.010 320 L CA -1.161 53.735 54.840 0.094 0.000 0.818 320 L CB 1.865 43.907 42.059 -0.030 0.000 1.306 320 L HN 0.589 nan 8.230 nan 0.000 0.430 321 K N 1.401 121.739 120.400 -0.104 0.000 2.203 321 K HA 0.270 4.589 4.320 -0.002 0.000 0.251 321 K C -0.630 175.896 176.600 -0.123 0.000 0.944 321 K CA -0.782 55.368 56.287 -0.229 0.000 0.829 321 K CB 2.266 34.467 32.500 -0.497 0.000 1.125 321 K HN 0.590 nan 8.250 nan 0.000 0.430 322 E N 0.301 120.425 120.200 -0.127 0.000 2.608 322 E HA -0.055 4.293 4.350 -0.002 0.000 0.259 322 E C 0.645 177.133 176.600 -0.186 0.000 0.951 322 E CA 1.385 57.709 56.400 -0.127 0.000 0.945 322 E CB -0.030 29.637 29.700 -0.055 0.000 0.916 322 E HN 0.769 nan 8.360 nan 0.000 0.477 323 G N 3.839 112.347 108.800 -0.487 0.000 2.225 323 G HA2 -0.259 3.700 3.960 -0.002 0.000 0.254 323 G HA3 -0.259 3.700 3.960 -0.002 0.000 0.254 323 G C -0.127 174.539 174.900 -0.389 0.000 0.988 323 G CA 0.136 44.807 45.100 -0.715 0.000 0.625 323 G HN 0.690 nan 8.290 nan 0.000 0.527 324 D N 0.676 121.006 120.400 -0.117 0.000 2.472 324 D HA 0.407 5.045 4.640 -0.002 0.000 0.237 324 D C 1.047 177.414 176.300 0.112 0.000 1.141 324 D CA 0.408 54.514 54.000 0.177 0.000 0.875 324 D CB 0.554 41.636 40.800 0.470 0.000 1.192 324 D HN 0.392 nan 8.370 nan 0.000 0.450 325 L N 2.491 123.860 121.223 0.243 0.000 2.309 325 L HA 0.489 4.827 4.340 -0.002 0.000 0.282 325 L C 0.072 177.122 176.870 0.299 0.000 1.036 325 L CA -0.753 54.209 54.840 0.204 0.000 0.806 325 L CB 1.112 43.265 42.059 0.156 0.000 1.220 325 L HN 0.150 nan 8.230 nan 0.000 0.429 326 I N 3.727 124.408 120.570 0.185 0.000 2.389 326 I HA 0.261 4.430 4.170 -0.002 0.000 0.288 326 I C -0.425 175.692 176.117 -0.001 0.000 0.999 326 I CA -0.703 60.690 61.300 0.154 0.000 1.129 326 I CB 2.042 40.054 38.000 0.019 0.000 1.288 326 I HN 0.367 nan 8.210 nan 0.000 0.444 327 L N 7.840 129.077 121.223 0.023 0.000 2.380 327 L HA 0.372 4.711 4.340 -0.002 0.000 0.273 327 L C -0.670 176.086 176.870 -0.190 0.000 1.138 327 L CA 0.247 55.014 54.840 -0.121 0.000 0.832 327 L CB 0.619 42.625 42.059 -0.089 0.000 1.124 327 L HN 0.455 nan 8.230 nan 0.000 0.454 328 L N 7.280 128.334 121.223 -0.281 0.000 2.337 328 L HA 0.434 4.773 4.340 -0.002 0.000 0.269 328 L C -2.244 174.414 176.870 -0.354 0.000 1.018 328 L CA -1.706 52.926 54.840 -0.346 0.000 0.876 328 L CB 1.044 42.805 42.059 -0.497 0.000 1.236 328 L HN 0.485 nan 8.230 nan 0.000 0.436 329 P HA 0.142 nan 4.420 nan 0.000 0.284 329 P C 0.710 177.710 177.300 -0.499 0.000 1.343 329 P CA -0.200 62.423 63.100 -0.795 0.000 0.826 329 P CB 1.494 32.078 31.700 -1.860 0.000 0.956 330 T N 2.550 116.952 114.554 -0.254 0.000 2.881 330 T HA -0.124 4.225 4.350 -0.002 0.000 0.270 330 T C 1.773 176.428 174.700 -0.076 0.000 1.068 330 T CA 1.770 63.830 62.100 -0.066 0.000 1.131 330 T CB -0.281 68.600 68.868 0.022 0.000 0.871 330 T HN 0.364 nan 8.240 nan 0.000 0.479 331 A N 0.903 123.640 122.820 -0.139 0.000 2.019 331 A HA 0.067 4.386 4.320 -0.002 0.000 0.219 331 A C 2.019 179.540 177.584 -0.107 0.000 1.164 331 A CA 0.959 52.953 52.037 -0.071 0.000 0.644 331 A CB -0.570 18.408 19.000 -0.037 0.000 0.805 331 A HN 0.547 nan 8.150 nan 0.000 0.449 332 L N -1.510 119.597 121.223 -0.195 0.000 2.610 332 L HA -0.048 4.290 4.340 -0.002 0.000 0.232 332 L C 2.135 178.969 176.870 -0.062 0.000 1.149 332 L CA 0.774 55.531 54.840 -0.139 0.000 0.872 332 L CB -0.566 41.365 42.059 -0.214 0.000 0.992 332 L HN 0.676 nan 8.230 nan 0.000 0.447 333 H N -0.153 118.819 119.070 -0.163 0.000 2.300 333 H HA -0.023 4.532 4.556 -0.002 0.000 0.312 333 H C 2.184 177.460 175.328 -0.087 0.000 1.057 333 H CA 0.791 56.724 56.048 -0.191 0.000 1.380 333 H CB 0.236 29.907 29.762 -0.152 0.000 1.424 333 H HN 0.216 nan 8.280 nan 0.000 0.534 334 G N 1.105 109.875 108.800 -0.049 0.000 2.469 334 G HA2 -0.223 3.736 3.960 -0.002 0.000 0.220 334 G HA3 -0.223 3.736 3.960 -0.002 0.000 0.220 334 G C 1.379 176.256 174.900 -0.039 0.000 1.136 334 G CA 1.021 46.054 45.100 -0.111 0.000 0.759 334 G HN 0.365 nan 8.290 nan 0.000 0.562 335 L N 0.397 121.603 121.223 -0.027 0.000 2.628 335 L HA 0.224 4.562 4.340 -0.002 0.000 0.229 335 L C 0.286 177.185 176.870 0.048 0.000 1.137 335 L CA -0.416 54.410 54.840 -0.024 0.000 0.909 335 L CB 0.135 42.159 42.059 -0.058 0.000 1.137 335 L HN 0.025 nan 8.230 nan 0.000 0.470 336 D N 1.658 122.119 120.400 0.103 0.000 2.343 336 D HA -0.044 4.594 4.640 -0.002 0.000 0.255 336 D C 0.792 177.190 176.300 0.163 0.000 1.187 336 D CA -0.063 54.008 54.000 0.119 0.000 0.875 336 D CB 1.342 42.212 40.800 0.116 0.000 1.136 336 D HN 0.187 nan 8.370 nan 0.000 0.469 337 D N 3.149 123.609 120.400 0.100 0.000 2.371 337 D HA -0.125 4.514 4.640 -0.002 0.000 0.221 337 D C 1.231 177.561 176.300 0.050 0.000 0.986 337 D CA 0.561 54.607 54.000 0.076 0.000 0.899 337 D CB -0.093 40.734 40.800 0.044 0.000 0.902 337 D HN 0.359 nan 8.370 nan 0.000 0.530 338 R N -1.112 119.429 120.500 0.067 0.000 2.236 338 R HA 0.056 4.395 4.340 -0.002 0.000 0.208 338 R C 1.122 177.312 176.300 -0.184 0.000 1.036 338 R CA 0.822 56.899 56.100 -0.037 0.000 1.001 338 R CB -0.109 30.169 30.300 -0.038 0.000 0.896 338 R HN 0.368 nan 8.270 nan 0.000 0.464 339 H N -2.071 116.936 119.070 -0.105 0.000 2.604 339 H HA 0.229 4.784 4.556 -0.002 0.000 0.273 339 H C -0.370 174.594 175.328 -0.606 0.000 0.971 339 H CA 0.495 56.364 56.048 -0.298 0.000 1.249 339 H CB 0.620 30.259 29.762 -0.205 0.000 1.449 339 H HN 0.100 nan 8.280 nan 0.000 0.512 340 H N -0.144 118.992 119.070 0.111 0.000 2.966 340 H HA 0.184 4.739 4.556 -0.002 0.000 0.347 340 H C -1.076 174.262 175.328 0.017 0.000 1.048 340 H CA -0.983 55.092 56.048 0.045 0.000 1.295 340 H CB 1.299 31.073 29.762 0.021 0.000 1.744 340 H HN 0.062 nan 8.280 nan 0.000 0.513 341 D N 2.829 123.293 120.400 0.107 0.000 2.399 341 D HA -0.000 4.638 4.640 -0.002 0.000 0.241 341 D C 0.061 176.392 176.300 0.052 0.000 1.133 341 D CA 0.450 54.485 54.000 0.059 0.000 0.890 341 D CB 0.487 41.309 40.800 0.037 0.000 1.201 341 D HN 0.604 nan 8.370 nan 0.000 0.432 342 D N 1.124 121.542 120.400 0.030 0.000 2.735 342 D HA -0.142 4.497 4.640 -0.002 0.000 0.235 342 D C -1.465 174.830 176.300 -0.008 0.000 1.175 342 D CA 0.042 54.050 54.000 0.013 0.000 0.683 342 D CB -0.568 40.238 40.800 0.010 0.000 1.008 342 D HN 0.386 nan 8.370 nan 0.000 0.416 343 P HA -0.153 nan 4.420 nan 0.000 0.220 343 P C 1.557 178.778 177.300 -0.132 0.000 1.148 343 P CA 0.668 63.742 63.100 -0.043 0.000 0.803 343 P CB 0.177 31.879 31.700 0.005 0.000 0.782 344 M N -0.487 119.060 119.600 -0.088 0.000 2.562 344 M HA 0.036 4.515 4.480 -0.002 0.000 0.257 344 M C 1.101 177.341 176.300 -0.099 0.000 1.099 344 M CA 0.689 55.929 55.300 -0.100 0.000 1.099 344 M CB -1.492 31.104 32.600 -0.007 0.000 1.427 344 M HN -0.017 nan 8.290 nan 0.000 0.489 345 T N 0.068 114.567 114.554 -0.091 0.000 2.799 345 T HA 0.444 4.793 4.350 -0.002 0.000 0.286 345 T C -0.112 174.471 174.700 -0.195 0.000 0.973 345 T CA -0.630 61.430 62.100 -0.066 0.000 1.035 345 T CB 1.523 70.393 68.868 0.002 0.000 0.932 345 T HN -0.090 nan 8.240 nan 0.000 0.469 346 V N 5.089 124.839 119.914 -0.272 0.000 2.446 346 V HA 0.230 4.349 4.120 -0.002 0.000 0.276 346 V C 0.397 176.428 176.094 -0.105 0.000 1.030 346 V CA -0.044 62.078 62.300 -0.296 0.000 1.033 346 V CB 0.476 32.072 31.823 -0.379 0.000 0.993 346 V HN 0.969 nan 8.190 nan 0.000 0.477 347 D N 4.708 125.048 120.400 -0.100 0.000 2.462 347 D HA 0.302 4.941 4.640 -0.002 0.000 0.245 347 D C 0.830 177.113 176.300 -0.028 0.000 1.122 347 D CA -0.447 53.529 54.000 -0.040 0.000 0.864 347 D CB 1.371 42.154 40.800 -0.029 0.000 1.098 347 D HN 0.346 nan 8.370 nan 0.000 0.541 348 L N 1.863 123.084 121.223 -0.003 0.000 2.187 348 L HA -0.095 4.244 4.340 -0.002 0.000 0.213 348 L C 1.595 178.476 176.870 0.019 0.000 1.100 348 L CA 0.793 55.640 54.840 0.012 0.000 0.765 348 L CB -0.152 41.924 42.059 0.028 0.000 0.904 348 L HN 0.274 nan 8.230 nan 0.000 0.437 349 S N -1.133 114.577 115.700 0.017 0.000 2.577 349 S HA 0.072 4.541 4.470 -0.002 0.000 0.219 349 S C 0.807 175.421 174.600 0.022 0.000 0.962 349 S CA -0.362 57.851 58.200 0.023 0.000 0.921 349 S CB -0.204 63.010 63.200 0.023 0.000 0.789 349 S HN 0.263 nan 8.310 nan 0.000 0.497 350 R N 2.252 122.760 120.500 0.013 0.000 2.502 350 R HA 0.066 4.405 4.340 -0.002 0.000 0.292 350 R C 1.060 177.382 176.300 0.037 0.000 0.998 350 R CA 0.129 56.240 56.100 0.019 0.000 1.056 350 R CB 0.280 30.576 30.300 -0.007 0.000 0.939 350 R HN 0.207 nan 8.270 nan 0.000 0.411 351 R N 1.593 122.122 120.500 0.049 0.000 2.119 351 R HA -0.044 4.295 4.340 -0.002 0.000 0.222 351 R C -0.015 176.327 176.300 0.070 0.000 1.088 351 R CA 0.690 56.821 56.100 0.052 0.000 0.984 351 R CB 0.054 30.381 30.300 0.044 0.000 0.884 351 R HN 0.565 nan 8.270 nan 0.000 0.447 352 D N 0.519 120.979 120.400 0.101 0.000 2.440 352 D HA 0.082 4.721 4.640 -0.002 0.000 0.239 352 D C 0.497 176.926 176.300 0.215 0.000 1.084 352 D CA -0.434 53.654 54.000 0.146 0.000 0.843 352 D CB 1.956 42.837 40.800 0.136 0.000 1.097 352 D HN -0.084 nan 8.370 nan 0.000 0.531 353 V N 1.170 121.179 119.914 0.157 0.000 3.319 353 V HA 0.317 4.435 4.120 -0.002 0.000 0.317 353 V C 0.548 176.728 176.094 0.143 0.000 1.411 353 V CA -0.339 62.010 62.300 0.081 0.000 1.112 353 V CB -0.560 31.302 31.823 0.065 0.000 1.031 353 V HN 0.435 nan 8.190 nan 0.000 0.448 354 T N 3.981 118.671 114.554 0.227 0.000 2.849 354 T HA 0.270 4.619 4.350 -0.002 0.000 0.289 354 T C -0.045 174.591 174.700 -0.105 0.000 1.010 354 T CA 1.538 63.667 62.100 0.049 0.000 1.161 354 T CB -0.395 68.547 68.868 0.123 0.000 0.989 354 T HN 1.085 nan 8.240 nan 0.000 0.523 355 H N -1.050 117.833 119.070 -0.311 0.000 2.960 355 H HA 0.631 5.186 4.556 -0.002 0.000 0.323 355 H C -0.552 174.585 175.328 -0.319 0.000 1.326 355 H CA -1.135 54.558 56.048 -0.591 0.000 1.124 355 H CB 0.784 30.350 29.762 -0.325 0.000 1.853 355 H HN 0.239 nan 8.280 nan 0.000 0.536 356 S N 0.010 115.735 115.700 0.041 0.000 2.624 356 S HA 0.091 4.560 4.470 -0.002 0.000 0.246 356 S C 0.597 175.265 174.600 0.114 0.000 1.072 356 S CA 0.130 58.431 58.200 0.168 0.000 1.045 356 S CB -0.102 63.302 63.200 0.339 0.000 0.851 356 S HN 0.710 nan 8.310 nan 0.000 0.480 357 T N 1.244 115.906 114.554 0.179 0.000 2.881 357 T HA -0.019 4.330 4.350 -0.002 0.000 0.270 357 T C 0.543 175.052 174.700 -0.318 0.000 1.068 357 T CA 1.308 63.289 62.100 -0.198 0.000 1.131 357 T CB -0.247 68.293 68.868 -0.546 0.000 0.871 357 T HN 0.451 nan 8.240 nan 0.000 0.479 358 F N 1.043 121.011 119.950 0.029 0.000 2.639 358 F HA 0.658 5.184 4.527 -0.002 0.000 0.300 358 F C 1.263 176.937 175.800 -0.210 0.000 1.109 358 F CA -0.744 57.192 58.000 -0.106 0.000 1.335 358 F CB -1.139 37.773 39.000 -0.146 0.000 1.014 358 F HN 0.169 nan 8.300 nan 0.000 0.537 359 A N 0.053 122.762 122.820 -0.185 0.000 6.088 359 A HA -0.128 4.190 4.320 -0.002 0.000 0.261 359 A C 0.069 177.450 177.584 -0.337 0.000 2.138 359 A CA 0.658 52.297 52.037 -0.662 0.000 0.708 359 A CB -0.767 17.507 19.000 -1.210 0.000 1.068 359 A HN 0.307 nan 8.150 nan 0.000 0.364 360 Q N -0.900 118.668 119.800 -0.386 0.000 2.626 360 Q HA 0.583 4.922 4.340 -0.002 0.000 0.300 360 Q C 0.350 176.343 176.000 -0.011 0.000 0.988 360 Q CA 0.424 56.183 55.803 -0.073 0.000 0.761 360 Q CB 0.999 29.778 28.738 0.069 0.000 1.494 360 Q HN 3.011 nan 8.270 nan 0.000 0.439 361 G N 1.209 110.030 108.800 0.034 0.000 2.632 361 G HA2 -0.198 3.760 3.960 -0.002 0.000 0.224 361 G HA3 -0.198 3.760 3.960 -0.002 0.000 0.224 361 G C -1.872 173.036 174.900 0.014 0.000 1.341 361 G CA -0.053 45.079 45.100 0.052 0.000 0.880 361 G HN 0.492 nan 8.290 nan 0.000 0.566 362 P HA -0.030 nan 4.420 nan 0.000 0.221 362 P C 0.952 178.151 177.300 -0.169 0.000 1.150 362 P CA 1.643 64.674 63.100 -0.114 0.000 0.800 362 P CB -0.111 31.428 31.700 -0.268 0.000 0.787 363 H N -1.157 117.862 119.070 -0.084 0.000 2.539 363 H HA 0.149 4.704 4.556 -0.002 0.000 0.269 363 H C 0.991 176.301 175.328 -0.031 0.000 0.980 363 H CA -0.249 55.779 56.048 -0.035 0.000 1.152 363 H CB 0.124 29.851 29.762 -0.059 0.000 1.407 363 H HN 0.132 nan 8.280 nan 0.000 0.564 364 R N 1.390 121.908 120.500 0.029 0.000 2.523 364 R HA -0.073 4.266 4.340 -0.002 0.000 0.281 364 R C 0.017 176.294 176.300 -0.038 0.000 0.969 364 R CA -0.019 56.060 56.100 -0.034 0.000 1.093 364 R CB 0.092 30.363 30.300 -0.048 0.000 0.917 364 R HN 0.250 nan 8.270 nan 0.000 0.408 365 C N 4.963 124.236 119.300 -0.044 0.000 2.106 365 C HA -0.076 4.383 4.460 -0.002 0.000 0.402 365 C C 1.809 176.684 174.990 -0.191 0.000 1.548 365 C CA 0.411 59.377 59.018 -0.086 0.000 1.432 365 C CB -1.352 26.340 27.740 -0.080 0.000 2.584 365 C HN 0.875 nan 8.230 nan 0.000 0.604 366 A N 4.680 127.445 122.820 -0.092 0.000 2.066 366 A HA 0.170 4.489 4.320 -0.002 0.000 0.218 366 A C 2.078 179.579 177.584 -0.138 0.000 1.157 366 A CA 1.417 53.401 52.037 -0.088 0.000 0.670 366 A CB -0.520 18.482 19.000 0.003 0.000 0.804 366 A HN 1.358 nan 8.150 nan 0.000 0.453 367 G N 0.141 108.842 108.800 -0.164 0.000 3.088 367 G HA2 0.147 4.106 3.960 -0.002 0.000 0.212 367 G HA3 0.147 4.106 3.960 -0.002 0.000 0.212 367 G C 1.314 176.003 174.900 -0.351 0.000 1.173 367 G CA 0.532 45.532 45.100 -0.166 0.000 0.779 367 G HN 0.667 nan 8.290 nan 0.000 0.540 368 M N -0.884 118.310 119.600 -0.677 0.000 2.149 368 M HA -0.096 4.383 4.480 -0.002 0.000 0.261 368 M C 2.122 177.970 176.300 -0.754 0.000 1.064 368 M CA 1.362 55.962 55.300 -1.166 0.000 1.102 368 M CB -0.851 30.732 32.600 -1.694 0.000 1.369 368 M HN 0.084 nan 8.290 nan 0.000 0.408 369 H N 0.855 119.740 119.070 -0.309 0.000 2.357 369 H HA -0.041 4.514 4.556 -0.002 0.000 0.301 369 H C 2.296 177.575 175.328 -0.083 0.000 1.082 369 H CA 1.759 57.710 56.048 -0.162 0.000 1.342 369 H CB -0.659 29.043 29.762 -0.101 0.000 1.389 369 H HN 0.386 nan 8.280 nan 0.000 0.511 370 L N 1.283 122.525 121.223 0.033 0.000 2.017 370 L HA -0.069 4.270 4.340 -0.002 0.000 0.208 370 L C 2.588 179.496 176.870 0.064 0.000 1.073 370 L CA 1.822 56.697 54.840 0.059 0.000 0.745 370 L CB -1.018 41.082 42.059 0.068 0.000 0.894 370 L HN 0.189 nan 8.230 nan 0.000 0.432 371 A N -0.379 122.436 122.820 -0.008 0.000 1.883 371 A HA -0.268 4.051 4.320 -0.002 0.000 0.217 371 A C 2.439 180.174 177.584 0.252 0.000 1.186 371 A CA 2.094 54.191 52.037 0.099 0.000 0.624 371 A CB -0.600 18.412 19.000 0.020 0.000 0.822 371 A HN 0.508 nan 8.150 nan 0.000 0.444 372 R N -1.341 119.224 120.500 0.108 0.000 2.081 372 R HA -0.103 4.236 4.340 -0.002 0.000 0.235 372 R C 2.136 178.601 176.300 0.276 0.000 1.131 372 R CA 1.421 57.684 56.100 0.272 0.000 0.960 372 R CB -0.498 29.875 30.300 0.123 0.000 0.856 372 R HN 0.497 nan 8.270 nan 0.000 0.436 373 L N 1.496 122.840 121.223 0.202 0.000 2.027 373 L HA -0.127 4.211 4.340 -0.002 0.000 0.206 373 L C 1.764 178.794 176.870 0.267 0.000 1.074 373 L CA 1.814 56.775 54.840 0.201 0.000 0.745 373 L CB -0.399 41.753 42.059 0.155 0.000 0.898 373 L HN 0.121 nan 8.230 nan 0.000 0.433 374 E N -0.953 119.422 120.200 0.291 0.000 2.097 374 E HA -0.226 4.123 4.350 -0.002 0.000 0.196 374 E C 2.125 179.045 176.600 0.534 0.000 1.000 374 E CA 1.727 58.386 56.400 0.432 0.000 0.804 374 E CB -0.210 29.662 29.700 0.286 0.000 0.740 374 E HN 0.427 nan 8.360 nan 0.000 0.454 375 V N 0.881 121.049 119.914 0.423 0.000 2.323 375 V HA -0.201 3.918 4.120 -0.002 0.000 0.244 375 V C 2.302 178.563 176.094 0.278 0.000 1.041 375 V CA 1.974 64.495 62.300 0.369 0.000 1.025 375 V CB -0.610 31.389 31.823 0.294 0.000 0.656 375 V HN 0.313 nan 8.190 nan 0.000 0.451 376 T N 0.250 114.962 114.554 0.263 0.000 2.652 376 T HA -0.208 4.141 4.350 -0.002 0.000 0.267 376 T C 1.963 176.771 174.700 0.179 0.000 1.039 376 T CA 1.883 64.104 62.100 0.201 0.000 1.153 376 T CB -0.369 68.613 68.868 0.190 0.000 0.863 376 T HN 0.249 nan 8.240 nan 0.000 0.428 377 V N 2.291 122.332 119.914 0.211 0.000 2.287 377 V HA -0.195 3.924 4.120 -0.002 0.000 0.248 377 V C 2.573 178.742 176.094 0.125 0.000 1.053 377 V CA 1.770 64.180 62.300 0.182 0.000 1.027 377 V CB -0.667 31.305 31.823 0.248 0.000 0.646 377 V HN 0.481 nan 8.190 nan 0.000 0.447 378 M N -0.291 119.389 119.600 0.132 0.000 2.082 378 M HA -0.209 4.270 4.480 -0.002 0.000 0.258 378 M C 2.118 178.449 176.300 0.052 0.000 1.069 378 M CA 2.194 57.502 55.300 0.013 0.000 1.102 378 M CB -0.755 31.927 32.600 0.136 0.000 1.336 378 M HN 0.303 nan 8.290 nan 0.000 0.404 379 L N -0.140 121.134 121.223 0.085 0.000 2.027 379 L HA -0.229 4.110 4.340 -0.002 0.000 0.206 379 L C 2.590 179.521 176.870 0.102 0.000 1.074 379 L CA 1.300 56.184 54.840 0.073 0.000 0.745 379 L CB -0.706 41.396 42.059 0.072 0.000 0.898 379 L HN 0.364 nan 8.230 nan 0.000 0.433 380 Q N -0.335 119.520 119.800 0.092 0.000 2.061 380 Q HA -0.211 4.128 4.340 -0.002 0.000 0.204 380 Q C 2.178 178.212 176.000 0.055 0.000 0.984 380 Q CA 1.465 57.313 55.803 0.076 0.000 0.846 380 Q CB -0.019 28.763 28.738 0.074 0.000 0.902 380 Q HN 0.396 nan 8.270 nan 0.000 0.421 381 E N -0.284 119.943 120.200 0.044 0.000 2.158 381 E HA -0.142 4.206 4.350 -0.002 0.000 0.191 381 E C 1.501 178.076 176.600 -0.042 0.000 0.982 381 E CA 0.428 56.825 56.400 -0.004 0.000 0.823 381 E CB -0.292 29.400 29.700 -0.012 0.000 0.766 381 E HN 0.499 nan 8.360 nan 0.000 0.468 382 W N 1.653 122.833 121.300 -0.199 0.000 2.354 382 W HA -0.134 4.525 4.660 -0.002 0.000 0.315 382 W C 1.742 178.132 176.519 -0.215 0.000 1.206 382 W CA 1.073 58.248 57.345 -0.283 0.000 1.290 382 W CB -0.416 28.817 29.460 -0.378 0.000 1.152 382 W HN 0.024 nan 8.180 nan 0.000 0.489 383 L N 0.946 122.272 121.223 0.171 0.000 2.291 383 L HA -0.121 4.218 4.340 -0.002 0.000 0.214 383 L C 2.708 179.584 176.870 0.009 0.000 1.120 383 L CA 1.020 55.943 54.840 0.138 0.000 0.799 383 L CB -1.067 41.089 42.059 0.161 0.000 0.925 383 L HN -0.078 nan 8.230 nan 0.000 0.446 384 A N 0.062 122.865 122.820 -0.029 0.000 2.067 384 A HA -0.121 4.198 4.320 -0.002 0.000 0.219 384 A C 2.303 179.826 177.584 -0.102 0.000 1.158 384 A CA 1.270 53.278 52.037 -0.048 0.000 0.661 384 A CB -0.211 18.766 19.000 -0.038 0.000 0.801 384 A HN 0.394 nan 8.150 nan 0.000 0.452 385 R N -1.880 118.500 120.500 -0.199 0.000 2.342 385 R HA 0.424 4.763 4.340 -0.002 0.000 0.204 385 R C -0.420 175.670 176.300 -0.350 0.000 0.882 385 R CA 0.305 56.248 56.100 -0.261 0.000 1.041 385 R CB 0.626 30.729 30.300 -0.329 0.000 1.188 385 R HN 0.382 nan 8.270 nan 0.000 0.598 386 I N 2.531 122.807 120.570 -0.490 0.000 2.871 386 I HA 0.199 4.367 4.170 -0.002 0.000 0.284 386 I C -2.010 174.019 176.117 -0.146 0.000 1.390 386 I CA -1.552 59.386 61.300 -0.604 0.000 0.958 386 I CB 2.137 39.283 38.000 -1.423 0.000 1.618 386 I HN -0.148 nan 8.210 nan 0.000 0.595 387 P HA -0.022 nan 4.420 nan 0.000 0.225 387 P C 0.094 177.497 177.300 0.171 0.000 1.156 387 P CA 1.157 64.318 63.100 0.101 0.000 0.787 387 P CB 0.563 32.292 31.700 0.048 0.000 0.802 388 E N -0.313 120.001 120.200 0.190 0.000 2.293 388 E HA 0.576 4.925 4.350 -0.002 0.000 0.270 388 E C -0.799 176.001 176.600 0.333 0.000 0.879 388 E CA -0.794 55.691 56.400 0.142 0.000 0.756 388 E CB 1.950 31.704 29.700 0.090 0.000 1.208 388 E HN 0.012 nan 8.360 nan 0.000 0.428 389 F N -0.743 119.281 119.950 0.124 0.000 2.741 389 F HA 0.636 5.162 4.527 -0.002 0.000 0.311 389 F C -1.284 174.588 175.800 0.120 0.000 1.149 389 F CA -1.253 56.871 58.000 0.207 0.000 0.930 389 F CB 1.191 40.334 39.000 0.238 0.000 1.312 389 F HN 0.401 nan 8.300 nan 0.000 0.450 390 R N 1.640 122.310 120.500 0.284 0.000 2.799 390 R HA 0.687 5.026 4.340 -0.002 0.000 0.270 390 R C -2.006 174.405 176.300 0.184 0.000 1.010 390 R CA -1.131 55.037 56.100 0.113 0.000 0.916 390 R CB 2.000 32.322 30.300 0.037 0.000 1.228 390 R HN 0.908 nan 8.270 nan 0.000 0.469 391 L N 2.130 123.404 121.223 0.085 0.000 2.380 391 L HA 0.225 4.563 4.340 -0.002 0.000 0.273 391 L C 0.420 177.319 176.870 0.048 0.000 1.138 391 L CA -0.267 54.613 54.840 0.067 0.000 0.832 391 L CB 1.008 43.080 42.059 0.021 0.000 1.124 391 L HN 0.703 nan 8.230 nan 0.000 0.454 392 K N 3.099 123.527 120.400 0.046 0.000 2.527 392 K HA -0.067 4.252 4.320 -0.002 0.000 0.278 392 K C -0.416 176.184 176.600 0.000 0.000 0.981 392 K CA -0.466 55.830 56.287 0.015 0.000 1.009 392 K CB 0.381 32.881 32.500 0.000 0.000 0.895 392 K HN 0.453 nan 8.250 nan 0.000 0.493 393 D N 3.953 124.348 120.400 -0.009 0.000 2.586 393 D HA -0.089 4.549 4.640 -0.002 0.000 0.234 393 D C 0.390 176.682 176.300 -0.013 0.000 1.132 393 D CA 0.916 54.907 54.000 -0.014 0.000 0.860 393 D CB 0.321 41.110 40.800 -0.018 0.000 1.159 393 D HN 0.590 nan 8.370 nan 0.000 0.490 394 R N -0.434 120.059 120.500 -0.011 0.000 3.953 394 R HA -0.215 4.124 4.340 -0.002 0.000 0.340 394 R C 0.034 176.329 176.300 -0.008 0.000 1.195 394 R CA 0.814 56.909 56.100 -0.009 0.000 0.929 394 R CB -1.813 28.480 30.300 -0.011 0.000 1.402 394 R HN 0.513 nan 8.270 nan 0.000 0.540 395 A N 1.076 123.892 122.820 -0.008 0.000 2.462 395 A HA 0.439 4.758 4.320 -0.002 0.000 0.243 395 A C 0.672 178.250 177.584 -0.009 0.000 1.076 395 A CA 0.242 52.272 52.037 -0.011 0.000 0.773 395 A CB 0.522 19.518 19.000 -0.007 0.000 1.010 395 A HN 0.430 nan 8.150 nan 0.000 0.493 396 V N 0.856 120.756 119.914 -0.023 0.000 2.482 396 V HA 0.596 4.715 4.120 -0.002 0.000 0.295 396 V C -2.943 173.090 176.094 -0.101 0.000 1.026 396 V CA -2.289 59.993 62.300 -0.030 0.000 0.856 396 V CB 1.227 33.045 31.823 -0.008 0.000 1.001 396 V HN 0.687 nan 8.190 nan 0.000 0.424 397 P HA 0.458 nan 4.420 nan 0.000 0.272 397 P C -0.467 176.506 177.300 -0.545 0.000 1.223 397 P CA -0.118 62.743 63.100 -0.399 0.000 0.784 397 P CB 0.727 32.071 31.700 -0.593 0.000 0.923 398 I N 2.454 122.730 120.570 -0.490 0.000 2.321 398 I HA 0.258 4.426 4.170 -0.002 0.000 0.291 398 I C -0.281 175.471 176.117 -0.608 0.000 0.998 398 I CA -0.567 60.476 61.300 -0.428 0.000 1.227 398 I CB 0.435 38.299 38.000 -0.227 0.000 1.368 398 I HN 0.301 nan 8.210 nan 0.000 0.466 399 Y N 4.930 125.072 120.300 -0.264 0.000 2.342 399 Y HA 0.447 4.996 4.550 -0.002 0.000 0.334 399 Y C 0.229 175.903 175.900 -0.377 0.000 1.067 399 Y CA -0.646 57.349 58.100 -0.175 0.000 1.128 399 Y CB 1.132 39.639 38.460 0.079 0.000 1.200 399 Y HN 0.435 nan 8.280 nan 0.000 0.464 400 H N 0.942 120.189 119.070 0.296 0.000 2.538 400 H HA 0.453 5.008 4.556 -0.002 0.000 0.353 400 H C -0.822 174.641 175.328 0.224 0.000 1.109 400 H CA -0.866 55.309 56.048 0.212 0.000 1.192 400 H CB 2.137 31.983 29.762 0.140 0.000 1.555 400 H HN 0.663 nan 8.280 nan 0.000 0.518 401 S N 1.498 117.397 115.700 0.332 0.000 2.568 401 S HA 0.904 5.373 4.470 -0.002 0.000 0.302 401 S C 0.382 175.124 174.600 0.237 0.000 1.082 401 S CA -0.112 58.279 58.200 0.319 0.000 1.009 401 S CB 2.736 66.111 63.200 0.292 0.000 1.069 401 S HN 0.986 nan 8.310 nan 0.000 0.500 402 G N 0.715 109.600 108.800 0.143 0.000 2.392 402 G HA2 0.296 4.255 3.960 -0.002 0.000 0.260 402 G HA3 0.296 4.255 3.960 -0.002 0.000 0.260 402 G C -0.073 174.734 174.900 -0.155 0.000 1.226 402 G CA -0.291 44.778 45.100 -0.053 0.000 0.913 402 G HN 0.562 nan 8.290 nan 0.000 0.483 403 I N 0.121 120.558 120.570 -0.221 0.000 2.439 403 I HA 0.115 4.284 4.170 -0.002 0.000 0.251 403 I C 0.876 176.876 176.117 -0.196 0.000 1.139 403 I CA 1.162 62.222 61.300 -0.399 0.000 1.438 403 I CB -0.732 36.719 38.000 -0.915 0.000 1.085 403 I HN 0.045 nan 8.210 nan 0.000 0.427 404 V N 1.182 121.062 119.914 -0.058 0.000 2.531 404 V HA 0.623 4.742 4.120 -0.002 0.000 0.301 404 V C 0.256 176.325 176.094 -0.042 0.000 1.034 404 V CA -1.202 61.085 62.300 -0.022 0.000 0.865 404 V CB 1.609 33.464 31.823 0.054 0.000 0.995 404 V HN 0.225 nan 8.190 nan 0.000 0.424 405 A N 3.756 126.433 122.820 -0.239 0.000 2.425 405 A HA 0.846 5.165 4.320 -0.002 0.000 0.242 405 A C 0.337 177.966 177.584 0.075 0.000 1.077 405 A CA 0.503 52.311 52.037 -0.382 0.000 0.781 405 A CB 0.564 18.615 19.000 -1.581 0.000 1.020 405 A HN 1.578 nan 8.150 nan 0.000 0.494 406 A N 0.306 123.265 122.820 0.232 0.000 2.527 406 A HA 0.785 5.104 4.320 -0.002 0.000 0.293 406 A C -0.964 176.752 177.584 0.220 0.000 1.117 406 A CA -0.334 51.851 52.037 0.248 0.000 0.723 406 A CB 1.647 20.753 19.000 0.177 0.000 1.313 406 A HN 2.163 nan 8.150 nan 0.000 0.411 407 V N 0.560 120.456 119.914 -0.031 0.000 2.891 407 V HA 0.651 4.770 4.120 -0.002 0.000 0.304 407 V C -1.367 174.627 176.094 -0.167 0.000 1.171 407 V CA -0.344 61.808 62.300 -0.247 0.000 0.943 407 V CB 2.027 33.393 31.823 -0.762 0.000 1.037 407 V HN 1.117 nan 8.190 nan 0.000 0.427 408 E N 3.748 123.853 120.200 -0.158 0.000 2.423 408 E HA 0.618 4.966 4.350 -0.002 0.000 0.269 408 E C -0.556 175.960 176.600 -0.140 0.000 0.948 408 E CA -1.062 55.281 56.400 -0.095 0.000 0.802 408 E CB 1.161 30.856 29.700 -0.008 0.000 1.339 408 E HN 0.829 nan 8.360 nan 0.000 0.445 409 N N 0.579 119.236 118.700 -0.072 0.000 2.522 409 N HA -0.161 4.578 4.740 -0.002 0.000 0.281 409 N C -1.620 173.855 175.510 -0.059 0.000 1.267 409 N CA 0.322 53.336 53.050 -0.059 0.000 0.675 409 N CB -0.864 37.579 38.487 -0.073 0.000 0.890 409 N HN 0.574 nan 8.380 nan 0.000 0.542 410 I N 2.506 123.077 120.570 0.003 0.000 2.862 410 I HA 0.286 4.455 4.170 -0.002 0.000 0.285 410 I C -2.288 173.878 176.117 0.082 0.000 1.339 410 I CA -1.606 59.714 61.300 0.032 0.000 1.002 410 I CB 1.228 39.279 38.000 0.087 0.000 1.618 410 I HN 0.132 nan 8.210 nan 0.000 0.593 411 P HA 0.277 nan 4.420 nan 0.000 0.281 411 P C -0.604 176.764 177.300 0.113 0.000 1.286 411 P CA 0.136 63.281 63.100 0.075 0.000 0.772 411 P CB 0.712 32.430 31.700 0.030 0.000 0.862 412 L N 3.291 124.632 121.223 0.197 0.000 2.331 412 L HA 0.541 4.880 4.340 -0.002 0.000 0.275 412 L C 0.674 177.738 176.870 0.323 0.000 1.022 412 L CA -0.604 54.428 54.840 0.319 0.000 0.812 412 L CB 1.752 44.074 42.059 0.438 0.000 1.257 412 L HN 0.276 nan 8.230 nan 0.000 0.435 413 E N 1.194 121.609 120.200 0.359 0.000 2.340 413 E HA 0.583 4.932 4.350 -0.002 0.000 0.273 413 E C -1.808 175.054 176.600 0.437 0.000 0.891 413 E CA -0.626 55.872 56.400 0.163 0.000 0.757 413 E CB 2.648 32.377 29.700 0.048 0.000 1.231 413 E HN 0.499 nan 8.360 nan 0.000 0.439 414 W N 0.451 121.841 121.300 0.150 0.000 2.989 414 W HA 0.485 5.143 4.660 -0.002 0.000 0.344 414 W C -1.354 175.221 176.519 0.094 0.000 1.233 414 W CA -0.939 56.488 57.345 0.137 0.000 1.187 414 W CB 0.421 29.991 29.460 0.183 0.000 1.443 414 W HN 0.283 nan 8.180 nan 0.000 0.573 415 E N 2.507 122.886 120.200 0.298 0.000 2.130 415 E HA 0.466 4.815 4.350 -0.002 0.000 0.284 415 E C -2.214 174.555 176.600 0.282 0.000 1.018 415 E CA -2.077 54.425 56.400 0.171 0.000 0.817 415 E CB 0.842 30.620 29.700 0.130 0.000 1.078 415 E HN 0.110 nan 8.360 nan 0.000 0.396 416 P HA -0.076 nan 4.420 nan 0.000 0.262 416 P C -0.750 176.647 177.300 0.162 0.000 1.182 416 P CA 0.215 63.461 63.100 0.243 0.000 0.761 416 P CB 0.424 32.193 31.700 0.115 0.000 0.795 417 Q N 0.000 119.885 119.800 0.141 0.000 2.315 417 Q HA 0.000 4.339 4.340 -0.002 0.000 0.214 417 Q CA 0.000 55.851 55.803 0.080 0.000 1.022 417 Q CB 0.000 28.766 28.738 0.046 0.000 1.108 417 Q HN 0.000 nan 8.270 nan 0.000 0.481