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 3c25_1_A DATA FIRST_RESID 12 DATA SEQUENCE ANFIAEFFGH RVYPEVVSTE AARNDQATGT CPFLTAAKLV ETSCVKAETS DATA SEQUENCE RGVCVVNTAV DNERYDWLVC PNRALDPLFM SAASRKLFGY GPTEPLQFIA DATA SEQUENCE APTLADQAVR DGIREWLDRG VHVVAYFQEK LGGELSISKT DSSPEFSFDW DATA SEQUENCE TLAEVESIYP VPKIKRYGVL EIQTMDFHGS YKHAVGAIDI ALVEGIDFHG DATA SEQUENCE WLPTPAGRAA LSKKMEGPNL SNVFKRTFYQ MAYKFALSGH QRCAGTGFAI DATA SEQUENCE PQSVWKSWLR HLANPTLIDN GDGTFSLGDT RNDSENAWIF VFELDPDTDA DATA SEQUENCE SPRPLAPHLE IRVNVDTLID LALRESPRAA LGPSGPVATF TDKVEARMLR DATA SEQUENCE FWPK 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 12 A HA 0.000 nan 4.320 nan 0.000 0.244 12 A C 0.000 177.467 177.584 -0.194 0.000 1.274 12 A CA 0.000 51.962 52.037 -0.126 0.000 0.836 12 A CB 0.000 18.984 19.000 -0.026 0.000 0.831 13 N N 0.199 118.657 118.700 -0.404 0.000 2.400 13 N HA 0.691 5.480 4.740 0.081 0.000 0.288 13 N C -1.613 173.565 175.510 -0.554 0.000 1.024 13 N CA 0.298 53.209 53.050 -0.232 0.000 0.894 13 N CB 1.152 39.630 38.487 -0.016 0.000 1.173 13 N HN 0.246 nan 8.380 nan 0.000 0.487 14 F N 0.745 120.563 119.950 -0.220 0.000 2.540 14 F HA 0.493 5.069 4.527 0.082 0.000 0.317 14 F C 0.802 176.490 175.800 -0.186 0.000 1.104 14 F CA -0.991 56.814 58.000 -0.324 0.000 0.913 14 F CB 1.556 40.054 39.000 -0.837 0.000 1.170 14 F HN 0.171 nan 8.300 nan 0.000 0.450 15 I N 2.881 123.446 120.570 -0.008 0.000 2.742 15 I HA -0.013 4.206 4.170 0.081 0.000 0.287 15 I C 0.939 177.121 176.117 0.109 0.000 1.186 15 I CA 0.417 61.695 61.300 -0.037 0.000 1.417 15 I CB 0.764 38.723 38.000 -0.068 0.000 1.377 15 I HN 0.894 nan 8.210 nan 0.000 0.556 16 A N 6.006 128.900 122.820 0.124 0.000 1.973 16 A HA 0.164 4.533 4.320 0.081 0.000 0.210 16 A C 0.753 178.440 177.584 0.171 0.000 1.200 16 A CA 0.507 52.664 52.037 0.200 0.000 0.707 16 A CB 0.192 19.314 19.000 0.203 0.000 0.862 16 A HN 0.726 nan 8.150 nan 0.000 0.461 17 E N -1.450 118.843 120.200 0.155 0.000 2.248 17 E HA 0.509 4.908 4.350 0.081 0.000 0.267 17 E C -2.002 174.755 176.600 0.262 0.000 0.877 17 E CA -0.465 56.053 56.400 0.198 0.000 0.759 17 E CB 2.120 31.920 29.700 0.166 0.000 1.182 17 E HN 0.334 nan 8.360 nan 0.000 0.418 18 F N 3.550 123.574 119.950 0.123 0.000 2.382 18 F HA 0.257 4.832 4.527 0.081 0.000 0.361 18 F C -0.473 175.473 175.800 0.243 0.000 1.109 18 F CA -0.728 57.336 58.000 0.107 0.000 1.031 18 F CB 0.347 39.490 39.000 0.238 0.000 1.234 18 F HN 0.609 nan 8.300 nan 0.000 0.445 19 F N 3.956 123.811 119.950 -0.158 0.000 3.027 19 F HA -0.208 4.369 4.527 0.082 0.000 0.276 19 F C 1.238 176.958 175.800 -0.132 0.000 0.967 19 F CA 0.974 58.879 58.000 -0.158 0.000 0.929 19 F CB -1.501 37.346 39.000 -0.256 0.000 0.873 19 F HN 0.846 nan 8.300 nan 0.000 0.787 20 G N -1.515 107.318 108.800 0.056 0.000 2.199 20 G HA2 -0.292 3.717 3.960 0.081 0.000 0.254 20 G HA3 -0.292 3.717 3.960 0.081 0.000 0.254 20 G C -0.070 174.701 174.900 -0.215 0.000 0.982 20 G CA 0.131 45.196 45.100 -0.058 0.000 0.632 20 G HN 0.709 nan 8.290 nan 0.000 0.529 21 H N 0.413 119.610 119.070 0.210 0.000 2.547 21 H HA 0.406 5.011 4.556 0.081 0.000 0.342 21 H C 0.569 176.017 175.328 0.200 0.000 1.048 21 H CA -0.882 55.285 56.048 0.198 0.000 1.204 21 H CB 1.047 30.932 29.762 0.205 0.000 1.493 21 H HN 0.108 nan 8.280 nan 0.000 0.511 22 R N 1.791 122.453 120.500 0.269 0.000 2.566 22 R HA -0.019 4.369 4.340 0.081 0.000 0.273 22 R C 0.861 177.255 176.300 0.157 0.000 0.981 22 R CA 0.488 56.695 56.100 0.178 0.000 1.091 22 R CB 0.579 30.948 30.300 0.116 0.000 0.924 22 R HN 0.604 nan 8.270 nan 0.000 0.411 23 V N 0.678 120.670 119.914 0.131 0.000 3.305 23 V HA 0.017 4.186 4.120 0.081 0.000 0.247 23 V C 1.275 177.404 176.094 0.059 0.000 1.426 23 V CA -0.136 62.210 62.300 0.077 0.000 1.162 23 V CB -0.734 31.148 31.823 0.098 0.000 0.961 23 V HN 0.734 nan 8.190 nan 0.000 0.449 24 Y N 3.042 123.313 120.300 -0.049 0.000 2.226 24 Y HA 0.359 4.959 4.550 0.082 0.000 0.275 24 Y C -0.269 175.515 175.900 -0.193 0.000 1.087 24 Y CA 1.215 59.226 58.100 -0.149 0.000 1.086 24 Y CB -1.545 36.828 38.460 -0.146 0.000 1.026 24 Y HN 0.194 nan 8.280 nan 0.000 0.484 25 P HA 0.037 nan 4.420 nan 0.000 0.215 25 P C -0.388 176.651 177.300 -0.435 0.000 1.157 25 P CA 2.555 65.155 63.100 -0.833 0.000 0.868 25 P CB -0.164 31.252 31.700 -0.474 0.000 0.788 26 E N -1.262 118.796 120.200 -0.238 0.000 2.340 26 E HA 0.451 4.850 4.350 0.081 0.000 0.273 26 E C -0.670 175.893 176.600 -0.062 0.000 0.891 26 E CA -0.665 55.654 56.400 -0.134 0.000 0.757 26 E CB 1.249 30.897 29.700 -0.086 0.000 1.231 26 E HN -0.210 nan 8.360 nan 0.000 0.439 27 V N 1.909 121.802 119.914 -0.035 0.000 2.800 27 V HA 0.305 4.473 4.120 0.081 0.000 0.365 27 V C 1.035 177.187 176.094 0.097 0.000 1.527 27 V CA 0.514 62.820 62.300 0.009 0.000 1.623 27 V CB -0.278 31.535 31.823 -0.018 0.000 1.407 27 V HN 0.947 nan 8.190 nan 0.000 0.527 28 V N 1.309 121.279 119.914 0.093 0.000 2.459 28 V HA 0.503 4.671 4.120 0.081 0.000 0.255 28 V C 0.820 177.021 176.094 0.179 0.000 1.015 28 V CA 1.419 63.789 62.300 0.117 0.000 1.163 28 V CB -0.692 31.192 31.823 0.102 0.000 1.109 28 V HN 0.679 nan 8.190 nan 0.000 0.473 29 S N 3.525 119.346 115.700 0.201 0.000 2.707 29 S HA 0.866 5.385 4.470 0.081 0.000 0.303 29 S C 0.273 174.860 174.600 -0.023 0.000 1.132 29 S CA 0.101 58.437 58.200 0.228 0.000 1.046 29 S CB 0.792 64.451 63.200 0.764 0.000 1.004 29 S HN 1.588 nan 8.310 nan 0.000 0.483 30 T N 0.393 114.904 114.554 -0.072 0.000 2.902 30 T HA 0.741 5.139 4.350 0.081 0.000 0.287 30 T C 1.355 175.970 174.700 -0.141 0.000 1.048 30 T CA 0.653 62.696 62.100 -0.095 0.000 0.941 30 T CB -0.513 68.319 68.868 -0.060 0.000 1.432 30 T HN 0.857 nan 8.240 nan 0.000 0.586 31 E N -0.390 119.749 120.200 -0.102 0.000 2.106 31 E HA 0.207 4.605 4.350 0.081 0.000 0.192 31 E C 2.481 179.029 176.600 -0.086 0.000 0.984 31 E CA 1.916 58.262 56.400 -0.091 0.000 0.806 31 E CB -1.161 28.504 29.700 -0.058 0.000 0.750 31 E HN 0.914 nan 8.360 nan 0.000 0.458 32 A N 0.581 123.347 122.820 -0.090 0.000 1.968 32 A HA 0.380 4.749 4.320 0.081 0.000 0.217 32 A C 2.757 180.243 177.584 -0.163 0.000 1.169 32 A CA 1.842 53.829 52.037 -0.083 0.000 0.638 32 A CB -0.437 18.540 19.000 -0.039 0.000 0.812 32 A HN 0.894 nan 8.150 nan 0.000 0.446 33 A N -0.077 122.541 122.820 -0.337 0.000 1.930 33 A HA -0.098 4.271 4.320 0.081 0.000 0.217 33 A C 2.158 179.749 177.584 0.012 0.000 1.175 33 A CA 1.835 53.569 52.037 -0.505 0.000 0.627 33 A CB -0.395 18.355 19.000 -0.416 0.000 0.815 33 A HN 0.459 nan 8.150 nan 0.000 0.443 34 R N 0.510 121.033 120.500 0.039 0.000 2.081 34 R HA -0.105 4.284 4.340 0.081 0.000 0.235 34 R C 2.114 178.441 176.300 0.045 0.000 1.131 34 R CA 1.956 58.131 56.100 0.123 0.000 0.960 34 R CB -0.569 29.725 30.300 -0.010 0.000 0.856 34 R HN 0.707 nan 8.270 nan 0.000 0.436 35 N N -0.354 118.336 118.700 -0.015 0.000 2.135 35 N HA -0.142 4.647 4.740 0.081 0.000 0.186 35 N C 0.788 176.253 175.510 -0.075 0.000 1.027 35 N CA 1.459 54.482 53.050 -0.044 0.000 0.849 35 N CB -0.075 38.386 38.487 -0.043 0.000 1.002 35 N HN 0.207 nan 8.380 nan 0.000 0.425 36 D N 0.900 121.278 120.400 -0.038 0.000 2.123 36 D HA -0.158 4.531 4.640 0.081 0.000 0.196 36 D C 1.934 178.069 176.300 -0.275 0.000 0.992 36 D CA 1.191 55.150 54.000 -0.069 0.000 0.833 36 D CB -0.190 40.694 40.800 0.140 0.000 0.954 36 D HN 0.444 nan 8.370 nan 0.000 0.455 37 Q N -0.107 119.608 119.800 -0.142 0.000 2.123 37 Q HA 0.053 4.442 4.340 0.081 0.000 0.199 37 Q C 2.163 177.939 176.000 -0.374 0.000 0.966 37 Q CA 1.166 56.818 55.803 -0.252 0.000 0.845 37 Q CB -0.000 28.855 28.738 0.196 0.000 0.907 37 Q HN 0.207 nan 8.270 nan 0.000 0.439 38 A N 0.859 123.548 122.820 -0.219 0.000 1.897 38 A HA -0.159 4.210 4.320 0.081 0.000 0.215 38 A C 2.295 179.736 177.584 -0.237 0.000 1.181 38 A CA 1.818 53.739 52.037 -0.193 0.000 0.620 38 A CB -0.821 18.111 19.000 -0.112 0.000 0.821 38 A HN 0.495 nan 8.150 nan 0.000 0.443 39 T N -3.973 110.421 114.554 -0.267 0.000 2.978 39 T HA 0.356 4.754 4.350 0.081 0.000 0.262 39 T C 1.372 175.851 174.700 -0.368 0.000 1.063 39 T CA 1.181 63.133 62.100 -0.247 0.000 1.140 39 T CB -0.376 68.383 68.868 -0.180 0.000 0.886 39 T HN 1.789 nan 8.240 nan 0.000 0.470 40 G N 1.130 109.506 108.800 -0.706 0.000 2.325 40 G HA2 -0.134 3.875 3.960 0.081 0.000 0.248 40 G HA3 -0.134 3.875 3.960 0.081 0.000 0.248 40 G C -0.110 174.434 174.900 -0.594 0.000 1.108 40 G CA -0.132 44.286 45.100 -1.137 0.000 0.881 40 G HN 0.696 nan 8.290 nan 0.000 0.494 41 T N 0.316 114.592 114.554 -0.463 0.000 2.758 41 T HA 0.418 4.816 4.350 0.081 0.000 0.285 41 T C 0.547 175.268 174.700 0.034 0.000 0.981 41 T CA -0.294 61.733 62.100 -0.122 0.000 0.965 41 T CB 1.532 70.328 68.868 -0.120 0.000 0.927 41 T HN 0.447 nan 8.240 nan 0.000 0.448 42 C N 7.222 126.588 119.300 0.111 0.000 2.624 42 C HA 0.183 4.692 4.460 0.081 0.000 0.397 42 C C -0.372 174.549 174.990 -0.115 0.000 1.331 42 C CA -1.439 57.621 59.018 0.069 0.000 1.716 42 C CB 0.180 28.031 27.740 0.186 0.000 2.452 42 C HN 0.692 nan 8.230 nan 0.000 0.586 43 P HA -0.088 nan 4.420 nan 0.000 0.223 43 P C 1.026 178.098 177.300 -0.380 0.000 1.151 43 P CA 1.502 64.338 63.100 -0.439 0.000 0.787 43 P CB 0.011 31.330 31.700 -0.635 0.000 0.788 44 F N -0.456 119.514 119.950 0.034 0.000 2.234 44 F HA 0.044 4.620 4.527 0.081 0.000 0.296 44 F C 2.545 178.382 175.800 0.063 0.000 1.089 44 F CA 0.688 58.715 58.000 0.045 0.000 1.343 44 F CB -1.643 37.381 39.000 0.040 0.000 1.040 44 F HN -0.254 nan 8.300 nan 0.000 0.498 45 L N -0.508 120.841 121.223 0.211 0.000 2.109 45 L HA -0.140 4.249 4.340 0.081 0.000 0.207 45 L C 2.368 179.289 176.870 0.084 0.000 1.086 45 L CA 1.333 56.256 54.840 0.139 0.000 0.760 45 L CB -0.913 41.217 42.059 0.118 0.000 0.910 45 L HN 0.149 nan 8.230 nan 0.000 0.437 46 T N -0.226 114.355 114.554 0.045 0.000 2.737 46 T HA -0.139 4.260 4.350 0.081 0.000 0.265 46 T C 1.984 176.703 174.700 0.033 0.000 1.038 46 T CA 1.314 63.426 62.100 0.021 0.000 1.144 46 T CB -0.201 68.659 68.868 -0.013 0.000 0.866 46 T HN 0.421 nan 8.240 nan 0.000 0.434 47 A N 1.206 124.050 122.820 0.040 0.000 1.969 47 A HA 0.244 4.613 4.320 0.081 0.000 0.218 47 A C 2.555 180.196 177.584 0.095 0.000 1.169 47 A CA 1.690 53.764 52.037 0.062 0.000 0.635 47 A CB -0.905 18.135 19.000 0.067 0.000 0.810 47 A HN 0.497 nan 8.150 nan 0.000 0.445 48 A N -0.173 122.720 122.820 0.121 0.000 1.854 48 A HA -0.065 4.303 4.320 0.081 0.000 0.214 48 A C 2.064 179.708 177.584 0.099 0.000 1.192 48 A CA 1.521 53.645 52.037 0.145 0.000 0.611 48 A CB -0.324 18.784 19.000 0.181 0.000 0.832 48 A HN 0.429 nan 8.150 nan 0.000 0.442 49 K N -0.785 119.657 120.400 0.070 0.000 2.418 49 K HA 0.278 4.647 4.320 0.081 0.000 0.195 49 K C -0.108 176.508 176.600 0.027 0.000 1.035 49 K CA 0.390 56.699 56.287 0.037 0.000 1.003 49 K CB -0.101 32.415 32.500 0.027 0.000 0.793 49 K HN 0.442 nan 8.250 nan 0.000 0.494 50 L N 0.338 121.582 121.223 0.035 0.000 4.179 50 L HA -0.221 4.167 4.340 0.081 0.000 0.418 50 L C -0.762 176.116 176.870 0.015 0.000 1.168 50 L CA 0.013 54.868 54.840 0.026 0.000 0.972 50 L CB -1.759 40.315 42.059 0.025 0.000 2.005 50 L HN -0.110 nan 8.230 nan 0.000 0.935 51 V N -0.780 119.142 119.914 0.013 0.000 2.760 51 V HA 0.258 4.427 4.120 0.081 0.000 0.309 51 V C 0.434 176.531 176.094 0.005 0.000 1.077 51 V CA -0.794 61.510 62.300 0.006 0.000 0.910 51 V CB 2.200 34.025 31.823 0.004 0.000 1.008 51 V HN 0.174 nan 8.190 nan 0.000 0.424 52 E N 2.052 122.250 120.200 -0.003 0.000 2.417 52 E HA 0.222 4.620 4.350 0.081 0.000 0.261 52 E C -0.860 175.737 176.600 -0.004 0.000 1.000 52 E CA 0.336 56.730 56.400 -0.009 0.000 0.919 52 E CB 0.586 30.274 29.700 -0.020 0.000 0.955 52 E HN 0.780 nan 8.360 nan 0.000 0.455 53 T N 3.195 117.749 114.554 -0.000 0.000 3.011 53 T HA 0.187 4.586 4.350 0.081 0.000 0.303 53 T C -0.525 174.187 174.700 0.020 0.000 0.997 53 T CA -0.891 61.218 62.100 0.015 0.000 1.007 53 T CB 1.381 70.268 68.868 0.033 0.000 1.017 53 T HN 0.486 nan 8.240 nan 0.000 0.443 54 S N 1.285 116.997 115.700 0.021 0.000 2.593 54 S HA 0.329 4.848 4.470 0.081 0.000 0.269 54 S C 0.869 175.529 174.600 0.100 0.000 1.334 54 S CA -0.848 57.376 58.200 0.040 0.000 1.015 54 S CB 0.372 63.586 63.200 0.024 0.000 0.912 54 S HN 0.882 nan 8.310 nan 0.000 0.541 55 C N 1.796 121.206 119.300 0.183 0.000 2.665 55 C HA 0.166 4.675 4.460 0.081 0.000 0.416 55 C C 2.166 177.229 174.990 0.122 0.000 1.305 55 C CA 0.156 59.280 59.018 0.177 0.000 1.903 55 C CB -0.409 27.448 27.740 0.193 0.000 2.704 55 C HN 0.887 nan 8.230 nan 0.000 0.629 56 V N 1.978 121.952 119.914 0.100 0.000 3.461 56 V HA 0.115 4.283 4.120 0.081 0.000 0.267 56 V C 0.930 177.066 176.094 0.070 0.000 1.186 56 V CA 0.871 63.218 62.300 0.078 0.000 1.154 56 V CB -0.982 30.885 31.823 0.073 0.000 0.802 56 V HN 0.769 nan 8.190 nan 0.000 0.474 57 K N 1.545 121.990 120.400 0.075 0.000 2.154 57 K HA 0.663 5.032 4.320 0.081 0.000 0.264 57 K C 0.518 177.157 176.600 0.063 0.000 1.008 57 K CA 0.172 56.499 56.287 0.065 0.000 0.937 57 K CB 1.292 33.830 32.500 0.064 0.000 1.002 57 K HN 0.447 nan 8.250 nan 0.000 0.469 58 A N 1.269 124.120 122.820 0.051 0.000 2.429 58 A HA -0.044 4.325 4.320 0.081 0.000 0.242 58 A C 1.285 178.903 177.584 0.057 0.000 1.088 58 A CA 0.033 52.096 52.037 0.045 0.000 0.784 58 A CB 0.179 19.195 19.000 0.027 0.000 1.038 58 A HN 1.003 nan 8.150 nan 0.000 0.501 59 E N -0.169 120.063 120.200 0.054 0.000 2.147 59 E HA -0.242 4.157 4.350 0.081 0.000 0.199 59 E C 1.831 178.472 176.600 0.068 0.000 1.005 59 E CA 2.098 58.538 56.400 0.067 0.000 0.810 59 E CB -0.227 29.504 29.700 0.051 0.000 0.736 59 E HN 0.919 nan 8.360 nan 0.000 0.460 60 T N -2.016 112.561 114.554 0.039 0.000 2.977 60 T HA -0.090 4.308 4.350 0.081 0.000 0.271 60 T C 1.452 176.195 174.700 0.072 0.000 1.105 60 T CA 1.121 63.235 62.100 0.022 0.000 1.116 60 T CB -0.079 68.772 68.868 -0.029 0.000 0.878 60 T HN 0.150 nan 8.240 nan 0.000 0.509 61 S N -0.794 114.969 115.700 0.104 0.000 3.073 61 S HA 0.390 4.909 4.470 0.081 0.000 0.252 61 S C 0.039 174.720 174.600 0.135 0.000 0.953 61 S CA -0.952 57.371 58.200 0.205 0.000 1.105 61 S CB -0.062 63.276 63.200 0.230 0.000 1.070 61 S HN 0.374 nan 8.310 nan 0.000 0.574 62 R N 1.779 122.340 120.500 0.102 0.000 2.458 62 R HA 0.468 4.856 4.340 0.081 0.000 0.303 62 R C 1.486 177.633 176.300 -0.256 0.000 1.013 62 R CA 1.733 57.851 56.100 0.029 0.000 1.026 62 R CB -0.594 29.793 30.300 0.146 0.000 0.948 62 R HN 0.789 nan 8.270 nan 0.000 0.417 63 G N 2.552 110.981 108.800 -0.618 0.000 2.179 63 G HA2 -0.264 3.744 3.960 0.081 0.000 0.260 63 G HA3 -0.264 3.744 3.960 0.081 0.000 0.260 63 G C -0.109 174.429 174.900 -0.603 0.000 0.977 63 G CA 0.139 44.336 45.100 -1.505 0.000 0.641 63 G HN 0.540 nan 8.290 nan 0.000 0.533 64 V N 1.246 121.049 119.914 -0.185 0.000 2.229 64 V HA 0.199 4.368 4.120 0.081 0.000 0.245 64 V C 1.698 177.753 176.094 -0.065 0.000 1.243 64 V CA 0.286 62.541 62.300 -0.076 0.000 1.176 64 V CB 0.173 31.912 31.823 -0.140 0.000 1.323 64 V HN 0.463 nan 8.190 nan 0.000 0.499 65 C N 3.103 122.383 119.300 -0.032 0.000 2.512 65 C HA 0.232 4.741 4.460 0.081 0.000 0.276 65 C C 0.909 175.921 174.990 0.036 0.000 1.368 65 C CA 0.054 59.090 59.018 0.030 0.000 1.755 65 C CB -0.087 27.720 27.740 0.112 0.000 2.008 65 C HN 0.593 nan 8.230 nan 0.000 0.511 66 V N 0.314 120.241 119.914 0.021 0.000 2.888 66 V HA 0.558 4.726 4.120 0.081 0.000 0.309 66 V C -0.885 175.202 176.094 -0.012 0.000 1.114 66 V CA -0.371 61.957 62.300 0.046 0.000 0.940 66 V CB 2.018 33.896 31.823 0.092 0.000 1.021 66 V HN -0.056 nan 8.190 nan 0.000 0.426 67 V N 3.249 123.171 119.914 0.014 0.000 2.656 67 V HA 0.538 4.707 4.120 0.081 0.000 0.307 67 V C -0.343 175.940 176.094 0.315 0.000 1.051 67 V CA -0.705 61.581 62.300 -0.024 0.000 0.893 67 V CB 2.087 33.603 31.823 -0.511 0.000 0.999 67 V HN 0.897 nan 8.190 nan 0.000 0.426 68 N N 2.685 121.571 118.700 0.310 0.000 2.408 68 N HA 0.605 5.393 4.740 0.081 0.000 0.280 68 N C -0.609 175.178 175.510 0.461 0.000 1.002 68 N CA 0.017 53.314 53.050 0.412 0.000 0.907 68 N CB 2.150 40.884 38.487 0.411 0.000 1.161 68 N HN 0.951 nan 8.380 nan 0.000 0.488 69 T N -0.293 114.619 114.554 0.596 0.000 2.841 69 T HA 0.762 5.160 4.350 0.081 0.000 0.296 69 T C -0.999 173.997 174.700 0.492 0.000 1.166 69 T CA -0.871 61.538 62.100 0.515 0.000 1.007 69 T CB 1.422 70.598 68.868 0.514 0.000 1.253 69 T HN 0.417 nan 8.240 nan 0.000 0.511 70 A N 1.114 124.150 122.820 0.361 0.000 2.288 70 A HA 0.781 5.150 4.320 0.081 0.000 0.320 70 A C 0.076 177.853 177.584 0.321 0.000 1.217 70 A CA -0.594 51.633 52.037 0.316 0.000 0.840 70 A CB 0.608 19.727 19.000 0.199 0.000 1.179 70 A HN 1.885 nan 8.150 nan 0.000 0.504 71 V N 0.106 120.267 119.914 0.413 0.000 2.540 71 V HA 0.636 4.805 4.120 0.081 0.000 0.302 71 V C -0.490 175.756 176.094 0.254 0.000 1.035 71 V CA -0.656 61.818 62.300 0.290 0.000 0.873 71 V CB 1.342 33.321 31.823 0.261 0.000 0.992 71 V HN 0.891 nan 8.190 nan 0.000 0.428 72 D N 3.291 123.778 120.400 0.145 0.000 2.708 72 D HA -0.232 4.457 4.640 0.081 0.000 0.236 72 D C 0.644 177.004 176.300 0.100 0.000 1.146 72 D CA 1.406 55.468 54.000 0.104 0.000 0.662 72 D CB -1.249 39.608 40.800 0.095 0.000 1.059 72 D HN 1.061 nan 8.370 nan 0.000 0.428 73 N N -0.980 117.778 118.700 0.098 0.000 2.776 73 N HA -0.243 4.546 4.740 0.081 0.000 0.250 73 N C -0.153 175.387 175.510 0.048 0.000 1.112 73 N CA 1.426 54.517 53.050 0.069 0.000 0.733 73 N CB -0.612 37.901 38.487 0.044 0.000 1.097 73 N HN 0.646 nan 8.380 nan 0.000 0.558 74 E N 0.025 120.265 120.200 0.067 0.000 2.272 74 E HA 0.426 4.825 4.350 0.081 0.000 0.269 74 E C -0.584 175.906 176.600 -0.183 0.000 0.877 74 E CA -0.725 55.624 56.400 -0.085 0.000 0.755 74 E CB 1.307 30.926 29.700 -0.136 0.000 1.192 74 E HN 0.015 nan 8.360 nan 0.000 0.422 75 R N 1.993 122.333 120.500 -0.267 0.000 2.491 75 R HA 0.294 4.683 4.340 0.081 0.000 0.283 75 R C -1.330 174.666 176.300 -0.506 0.000 1.072 75 R CA 0.448 56.432 56.100 -0.192 0.000 1.048 75 R CB 0.200 30.440 30.300 -0.099 0.000 0.983 75 R HN 0.426 nan 8.270 nan 0.000 0.450 76 Y N 0.798 121.083 120.300 -0.024 0.000 2.396 76 Y HA 0.226 4.825 4.550 0.082 0.000 0.332 76 Y C -0.506 175.188 175.900 -0.344 0.000 1.034 76 Y CA -1.082 56.839 58.100 -0.299 0.000 1.057 76 Y CB 1.985 40.099 38.460 -0.578 0.000 1.220 76 Y HN 0.467 nan 8.280 nan 0.000 0.440 77 D N 2.675 122.962 120.400 -0.187 0.000 2.312 77 D HA 0.104 4.792 4.640 0.081 0.000 0.252 77 D C -1.213 174.934 176.300 -0.254 0.000 1.150 77 D CA 0.152 54.090 54.000 -0.103 0.000 0.870 77 D CB 0.661 41.438 40.800 -0.037 0.000 1.153 77 D HN 0.414 nan 8.370 nan 0.000 0.457 78 W N 3.573 124.991 121.300 0.198 0.000 2.318 78 W HA 0.318 5.028 4.660 0.084 0.000 0.315 78 W C 0.165 176.778 176.519 0.156 0.000 1.033 78 W CA -0.859 56.616 57.345 0.215 0.000 1.275 78 W CB 0.716 30.434 29.460 0.429 0.000 1.250 78 W HN 0.038 nan 8.180 nan 0.000 0.421 79 L N 3.662 125.065 121.223 0.300 0.000 2.525 79 L HA 0.005 4.393 4.340 0.081 0.000 0.278 79 L C 0.663 177.695 176.870 0.271 0.000 1.218 79 L CA 0.367 55.341 54.840 0.224 0.000 0.878 79 L CB 0.592 42.773 42.059 0.205 0.000 1.127 79 L HN 0.443 nan 8.230 nan 0.000 0.492 80 V N 2.347 122.373 119.914 0.188 0.000 3.337 80 V HA 0.068 4.236 4.120 0.081 0.000 0.307 80 V C -0.146 176.045 176.094 0.161 0.000 1.505 80 V CA -0.011 62.406 62.300 0.195 0.000 1.072 80 V CB 1.303 33.187 31.823 0.102 0.000 0.929 80 V HN 0.899 nan 8.190 nan 0.000 0.455 81 C N 0.741 120.118 119.300 0.129 0.000 2.607 81 C HA 0.503 5.012 4.460 0.081 0.000 0.350 81 C C -1.661 173.388 174.990 0.098 0.000 1.101 81 C CA -1.155 57.929 59.018 0.109 0.000 1.282 81 C CB 1.856 29.648 27.740 0.087 0.000 1.825 81 C HN 0.292 nan 8.230 nan 0.000 0.460 82 P HA -0.094 nan 4.420 nan 0.000 0.219 82 P C 1.083 178.445 177.300 0.104 0.000 1.146 82 P CA 1.470 64.650 63.100 0.135 0.000 0.808 82 P CB 0.122 31.915 31.700 0.154 0.000 0.779 83 N N -0.636 118.118 118.700 0.089 0.000 2.381 83 N HA -0.120 4.668 4.740 0.081 0.000 0.182 83 N C 1.733 177.199 175.510 -0.073 0.000 1.025 83 N CA 0.661 53.763 53.050 0.087 0.000 0.888 83 N CB -0.490 38.085 38.487 0.146 0.000 0.965 83 N HN 0.074 nan 8.380 nan 0.000 0.438 84 R N 1.553 121.938 120.500 -0.193 0.000 2.148 84 R HA 0.083 4.472 4.340 0.081 0.000 0.227 84 R C 1.165 177.109 176.300 -0.594 0.000 1.103 84 R CA 1.099 56.833 56.100 -0.611 0.000 0.983 84 R CB -0.433 29.693 30.300 -0.290 0.000 0.874 84 R HN 0.100 nan 8.270 nan 0.000 0.451 85 A N 0.142 122.793 122.820 -0.282 0.000 2.415 85 A HA 0.243 4.612 4.320 0.081 0.000 0.248 85 A C 0.184 177.656 177.584 -0.187 0.000 1.299 85 A CA -0.429 51.413 52.037 -0.327 0.000 0.899 85 A CB -0.197 18.681 19.000 -0.203 0.000 0.997 85 A HN 0.247 nan 8.150 nan 0.000 0.506 86 L N 1.110 122.291 121.223 -0.071 0.000 2.384 86 L HA 0.302 4.691 4.340 0.081 0.000 0.258 86 L C -0.749 176.189 176.870 0.114 0.000 1.266 86 L CA 0.156 55.103 54.840 0.179 0.000 1.162 86 L CB -0.193 42.000 42.059 0.223 0.000 1.375 86 L HN 0.148 nan 8.230 nan 0.000 0.420 87 D N 4.696 125.104 120.400 0.014 0.000 2.432 87 D HA 0.286 4.975 4.640 0.081 0.000 0.265 87 D C -1.956 174.345 176.300 0.002 0.000 1.160 87 D CA -1.654 52.340 54.000 -0.010 0.000 0.911 87 D CB 1.878 42.584 40.800 -0.156 0.000 1.052 87 D HN 0.209 nan 8.370 nan 0.000 0.508 88 P HA -0.158 nan 4.420 nan 0.000 0.216 88 P C 1.772 179.016 177.300 -0.093 0.000 1.154 88 P CA 0.616 63.814 63.100 0.163 0.000 0.865 88 P CB 0.447 32.346 31.700 0.331 0.000 0.789 89 L N -2.081 119.115 121.223 -0.044 0.000 2.042 89 L HA -0.168 4.221 4.340 0.081 0.000 0.210 89 L C 2.316 179.053 176.870 -0.221 0.000 1.076 89 L CA 1.615 56.385 54.840 -0.117 0.000 0.749 89 L CB -0.764 41.279 42.059 -0.027 0.000 0.893 89 L HN -0.140 nan 8.230 nan 0.000 0.432 90 F N -0.539 119.216 119.950 -0.325 0.000 2.146 90 F HA -0.234 4.342 4.527 0.081 0.000 0.298 90 F C 2.212 177.672 175.800 -0.567 0.000 1.096 90 F CA 1.479 59.242 58.000 -0.395 0.000 1.275 90 F CB -0.054 38.710 39.000 -0.392 0.000 1.008 90 F HN 0.041 nan 8.300 nan 0.000 0.480 91 M N 0.253 119.529 119.600 -0.541 0.000 2.229 91 M HA -0.123 4.406 4.480 0.081 0.000 0.264 91 M C 2.583 178.234 176.300 -1.082 0.000 1.063 91 M CA 1.572 56.379 55.300 -0.821 0.000 1.114 91 M CB -1.787 30.244 32.600 -0.948 0.000 1.387 91 M HN 0.385 nan 8.290 nan 0.000 0.420 92 S N 0.838 115.710 115.700 -1.379 0.000 2.368 92 S HA -0.061 4.457 4.470 0.081 0.000 0.225 92 S C 2.153 176.331 174.600 -0.703 0.000 1.030 92 S CA 1.256 58.631 58.200 -1.374 0.000 0.999 92 S CB -0.625 61.949 63.200 -1.042 0.000 0.844 92 S HN 0.415 nan 8.310 nan 0.000 0.459 93 A N 2.221 124.641 122.820 -0.667 0.000 1.877 93 A HA 0.308 4.677 4.320 0.081 0.000 0.216 93 A C 2.574 179.749 177.584 -0.682 0.000 1.186 93 A CA 1.833 53.527 52.037 -0.572 0.000 0.620 93 A CB -1.536 17.119 19.000 -0.576 0.000 0.822 93 A HN 0.947 nan 8.150 nan 0.000 0.443 94 A N -0.770 121.448 122.820 -1.004 0.000 1.969 94 A HA -0.073 4.296 4.320 0.081 0.000 0.218 94 A C 2.442 179.544 177.584 -0.803 0.000 1.169 94 A CA 2.057 53.308 52.037 -1.309 0.000 0.635 94 A CB -0.868 16.972 19.000 -1.933 0.000 0.810 94 A HN 0.614 nan 8.150 nan 0.000 0.445 95 S N -0.253 115.128 115.700 -0.532 0.000 2.382 95 S HA -0.219 4.300 4.470 0.081 0.000 0.228 95 S C 2.147 176.683 174.600 -0.107 0.000 1.027 95 S CA 1.501 59.607 58.200 -0.156 0.000 0.991 95 S CB -0.379 62.872 63.200 0.085 0.000 0.823 95 S HN 0.644 nan 8.310 nan 0.000 0.469 96 R N 0.410 120.807 120.500 -0.171 0.000 2.103 96 R HA -0.072 4.317 4.340 0.081 0.000 0.242 96 R C 2.387 178.516 176.300 -0.286 0.000 1.142 96 R CA 1.641 57.666 56.100 -0.125 0.000 0.960 96 R CB -0.290 29.972 30.300 -0.064 0.000 0.858 96 R HN 0.218 nan 8.270 nan 0.000 0.439 97 K N 0.880 121.054 120.400 -0.376 0.000 2.217 97 K HA 0.010 4.378 4.320 0.081 0.000 0.202 97 K C 1.787 178.083 176.600 -0.505 0.000 1.051 97 K CA 0.965 56.944 56.287 -0.514 0.000 0.952 97 K CB 0.008 32.033 32.500 -0.792 0.000 0.736 97 K HN 0.129 nan 8.250 nan 0.000 0.453 98 L N -1.283 119.683 121.223 -0.427 0.000 2.131 98 L HA 0.014 4.403 4.340 0.081 0.000 0.206 98 L C 1.367 177.922 176.870 -0.525 0.000 1.087 98 L CA 0.866 55.463 54.840 -0.404 0.000 0.767 98 L CB -0.177 41.620 42.059 -0.436 0.000 0.917 98 L HN 0.066 nan 8.230 nan 0.000 0.441 99 F N -0.230 119.442 119.950 -0.462 0.000 2.765 99 F HA 0.245 4.821 4.527 0.082 0.000 0.302 99 F C 1.591 176.987 175.800 -0.674 0.000 1.111 99 F CA 0.446 58.059 58.000 -0.645 0.000 1.359 99 F CB 0.200 38.569 39.000 -1.052 0.000 1.097 99 F HN 0.151 nan 8.300 nan 0.000 0.577 100 G N 0.351 108.932 108.800 -0.365 0.000 2.182 100 G HA2 -0.306 3.703 3.960 0.081 0.000 0.248 100 G HA3 -0.306 3.703 3.960 0.081 0.000 0.248 100 G C -0.154 174.696 174.900 -0.083 0.000 1.042 100 G CA -0.476 44.520 45.100 -0.173 0.000 0.775 100 G HN 0.438 nan 8.290 nan 0.000 0.501 101 Y N -0.151 120.109 120.300 -0.066 0.000 2.316 101 Y HA 0.507 5.106 4.550 0.081 0.000 0.324 101 Y C 1.565 177.426 175.900 -0.064 0.000 1.267 101 Y CA -0.719 57.327 58.100 -0.091 0.000 1.311 101 Y CB 0.860 39.233 38.460 -0.144 0.000 1.267 101 Y HN 0.257 nan 8.280 nan 0.000 0.516 102 G N 0.979 109.860 108.800 0.135 0.000 2.634 102 G HA2 0.223 4.232 3.960 0.081 0.000 0.255 102 G HA3 0.223 4.232 3.960 0.081 0.000 0.255 102 G C -2.013 172.901 174.900 0.024 0.000 1.205 102 G CA -1.169 43.963 45.100 0.054 0.000 0.884 102 G HN 0.427 nan 8.290 nan 0.000 0.549 103 P HA 0.121 nan 4.420 nan 0.000 0.219 103 P C 1.205 178.486 177.300 -0.032 0.000 1.150 103 P CA 2.005 65.085 63.100 -0.032 0.000 0.814 103 P CB 0.244 31.923 31.700 -0.035 0.000 0.787 104 T N -0.494 114.048 114.554 -0.021 0.000 3.268 104 T HA 0.232 4.631 4.350 0.081 0.000 0.258 104 T C 0.212 174.897 174.700 -0.025 0.000 0.966 104 T CA -0.327 61.758 62.100 -0.025 0.000 0.952 104 T CB -0.605 68.252 68.868 -0.019 0.000 1.132 104 T HN -0.025 nan 8.240 nan 0.000 0.536 105 E N 2.254 122.437 120.200 -0.028 0.000 2.204 105 E HA 0.372 4.771 4.350 0.081 0.000 0.276 105 E C -2.522 174.031 176.600 -0.079 0.000 0.974 105 E CA -2.021 54.355 56.400 -0.040 0.000 0.815 105 E CB 1.535 31.221 29.700 -0.023 0.000 1.119 105 E HN 0.168 nan 8.360 nan 0.000 0.393 106 P HA 0.021 nan 4.420 nan 0.000 0.266 106 P C -1.037 176.155 177.300 -0.181 0.000 1.215 106 P CA 0.212 63.234 63.100 -0.130 0.000 0.763 106 P CB 0.282 31.907 31.700 -0.124 0.000 0.806 107 L N 3.324 124.431 121.223 -0.193 0.000 2.455 107 L HA 0.512 4.901 4.340 0.081 0.000 0.264 107 L C -1.288 175.446 176.870 -0.228 0.000 0.968 107 L CA -0.718 54.004 54.840 -0.196 0.000 0.827 107 L CB 2.588 44.570 42.059 -0.129 0.000 1.317 107 L HN 0.251 nan 8.230 nan 0.000 0.407 108 Q N 3.350 122.994 119.800 -0.261 0.000 2.310 108 Q HA 0.417 4.806 4.340 0.081 0.000 0.270 108 Q C -1.922 174.051 176.000 -0.045 0.000 1.025 108 Q CA -0.152 55.459 55.803 -0.321 0.000 0.772 108 Q CB 1.683 29.907 28.738 -0.858 0.000 1.253 108 Q HN 0.470 nan 8.270 nan 0.000 0.450 109 F N 6.976 126.867 119.950 -0.098 0.000 2.359 109 F HA 0.475 5.050 4.527 0.081 0.000 0.369 109 F C -0.895 174.988 175.800 0.139 0.000 1.084 109 F CA -0.949 57.083 58.000 0.054 0.000 1.096 109 F CB 0.517 39.556 39.000 0.064 0.000 1.335 109 F HN 0.517 nan 8.300 nan 0.000 0.457 110 I N 2.256 122.760 120.570 -0.111 0.000 2.648 110 I HA 0.831 5.049 4.170 0.081 0.000 0.304 110 I C -0.348 175.486 176.117 -0.472 0.000 1.009 110 I CA -0.930 60.296 61.300 -0.124 0.000 1.114 110 I CB 1.069 39.029 38.000 -0.067 0.000 1.293 110 I HN 0.483 nan 8.210 nan 0.000 0.449 111 A N 3.370 125.846 122.820 -0.573 0.000 2.332 111 A HA 0.633 5.001 4.320 0.081 0.000 0.258 111 A C 1.255 178.376 177.584 -0.772 0.000 1.087 111 A CA 0.212 51.576 52.037 -1.123 0.000 0.802 111 A CB 0.413 19.015 19.000 -0.663 0.000 1.042 111 A HN 1.174 nan 8.150 nan 0.000 0.489 112 A N 1.560 123.833 122.820 -0.913 0.000 1.930 112 A HA 0.063 4.432 4.320 0.081 0.000 0.217 112 A C -0.305 177.001 177.584 -0.463 0.000 1.175 112 A CA 1.697 53.249 52.037 -0.809 0.000 0.627 112 A CB -1.579 16.516 19.000 -1.508 0.000 0.815 112 A HN 0.605 nan 8.150 nan 0.000 0.443 113 P HA -0.088 nan 4.420 nan 0.000 0.221 113 P C 1.167 178.374 177.300 -0.154 0.000 1.145 113 P CA 1.578 64.559 63.100 -0.199 0.000 0.795 113 P CB -0.296 31.309 31.700 -0.159 0.000 0.775 114 T N -0.484 113.961 114.554 -0.181 0.000 2.881 114 T HA -0.080 4.319 4.350 0.081 0.000 0.270 114 T C 1.626 176.272 174.700 -0.090 0.000 1.068 114 T CA 0.818 62.848 62.100 -0.116 0.000 1.131 114 T CB -0.874 67.929 68.868 -0.109 0.000 0.871 114 T HN 0.122 nan 8.240 nan 0.000 0.479 115 L N 0.824 121.978 121.223 -0.115 0.000 2.349 115 L HA -0.083 4.305 4.340 0.081 0.000 0.220 115 L C 2.837 179.678 176.870 -0.048 0.000 1.130 115 L CA 0.736 55.532 54.840 -0.074 0.000 0.791 115 L CB -0.601 41.410 42.059 -0.080 0.000 0.918 115 L HN 0.276 nan 8.230 nan 0.000 0.444 116 A N -1.415 121.375 122.820 -0.051 0.000 2.014 116 A HA -0.129 4.240 4.320 0.081 0.000 0.218 116 A C 1.119 178.685 177.584 -0.030 0.000 1.163 116 A CA 0.567 52.584 52.037 -0.034 0.000 0.652 116 A CB -0.270 18.710 19.000 -0.034 0.000 0.808 116 A HN 0.273 nan 8.150 nan 0.000 0.449 117 D N -0.808 119.572 120.400 -0.034 0.000 2.389 117 D HA 0.160 4.849 4.640 0.081 0.000 0.247 117 D C 0.979 177.261 176.300 -0.031 0.000 1.128 117 D CA 0.057 54.039 54.000 -0.029 0.000 0.884 117 D CB 1.360 42.144 40.800 -0.027 0.000 1.194 117 D HN 0.331 nan 8.370 nan 0.000 0.441 118 Q N 3.497 123.278 119.800 -0.031 0.000 2.083 118 Q HA -0.079 4.310 4.340 0.081 0.000 0.198 118 Q C 1.762 177.733 176.000 -0.049 0.000 0.969 118 Q CA 1.812 57.593 55.803 -0.037 0.000 0.838 118 Q CB -0.174 28.544 28.738 -0.034 0.000 0.900 118 Q HN 0.579 nan 8.270 nan 0.000 0.436 119 A N 0.090 122.882 122.820 -0.047 0.000 1.948 119 A HA -0.183 4.186 4.320 0.081 0.000 0.220 119 A C 2.132 179.666 177.584 -0.083 0.000 1.177 119 A CA 2.047 54.048 52.037 -0.060 0.000 0.636 119 A CB -1.042 17.933 19.000 -0.043 0.000 0.815 119 A HN 0.518 nan 8.150 nan 0.000 0.449 120 V N -3.349 116.531 119.914 -0.057 0.000 2.878 120 V HA 0.014 4.183 4.120 0.081 0.000 0.250 120 V C 2.090 178.143 176.094 -0.069 0.000 1.075 120 V CA 1.368 63.637 62.300 -0.051 0.000 1.096 120 V CB -0.760 31.075 31.823 0.019 0.000 0.724 120 V HN 0.453 nan 8.190 nan 0.000 0.467 121 R N 0.610 121.075 120.500 -0.059 0.000 2.092 121 R HA -0.087 4.302 4.340 0.081 0.000 0.231 121 R C 2.064 178.310 176.300 -0.090 0.000 1.119 121 R CA 1.819 57.887 56.100 -0.053 0.000 0.970 121 R CB -0.360 29.917 30.300 -0.038 0.000 0.864 121 R HN 0.566 nan 8.270 nan 0.000 0.440 122 D N -0.637 119.692 120.400 -0.117 0.000 2.224 122 D HA -0.062 4.627 4.640 0.081 0.000 0.205 122 D C 1.785 177.931 176.300 -0.257 0.000 0.965 122 D CA 1.212 55.124 54.000 -0.148 0.000 0.852 122 D CB -0.108 40.618 40.800 -0.125 0.000 0.947 122 D HN 0.367 nan 8.370 nan 0.000 0.494 123 G N 0.915 109.501 108.800 -0.356 0.000 2.403 123 G HA2 -0.147 3.862 3.960 0.081 0.000 0.216 123 G HA3 -0.147 3.862 3.960 0.081 0.000 0.216 123 G C 1.800 176.125 174.900 -0.958 0.000 1.154 123 G CA 0.046 44.696 45.100 -0.750 0.000 0.784 123 G HN 0.218 nan 8.290 nan 0.000 0.538 124 I N 0.132 120.479 120.570 -0.370 0.000 2.252 124 I HA -0.131 4.087 4.170 0.081 0.000 0.245 124 I C 3.004 179.119 176.117 -0.004 0.000 1.102 124 I CA 0.787 62.111 61.300 0.041 0.000 1.385 124 I CB -0.154 37.927 38.000 0.136 0.000 1.064 124 I HN 0.056 nan 8.210 nan 0.000 0.414 125 R N 0.477 120.925 120.500 -0.088 0.000 2.091 125 R HA -0.178 4.210 4.340 0.081 0.000 0.238 125 R C 2.156 178.408 176.300 -0.080 0.000 1.136 125 R CA 1.263 57.326 56.100 -0.063 0.000 0.959 125 R CB -0.328 29.929 30.300 -0.073 0.000 0.856 125 R HN 0.374 nan 8.270 nan 0.000 0.437 126 E N -0.484 119.602 120.200 -0.191 0.000 2.150 126 E HA -0.178 4.221 4.350 0.081 0.000 0.193 126 E C 1.809 178.358 176.600 -0.084 0.000 0.985 126 E CA 0.765 57.050 56.400 -0.191 0.000 0.814 126 E CB -0.022 29.488 29.700 -0.316 0.000 0.752 126 E HN 0.446 nan 8.360 nan 0.000 0.466 127 W N 0.629 121.906 121.300 -0.038 0.000 2.436 127 W HA 0.026 4.734 4.660 0.081 0.000 0.284 127 W C 2.103 178.581 176.519 -0.068 0.000 1.225 127 W CA 0.312 57.626 57.345 -0.052 0.000 1.271 127 W CB -0.762 28.670 29.460 -0.046 0.000 1.114 127 W HN 0.067 nan 8.180 nan 0.000 0.559 128 L N -0.285 121.029 121.223 0.153 0.000 2.217 128 L HA -0.144 4.245 4.340 0.081 0.000 0.211 128 L C 2.002 178.885 176.870 0.022 0.000 1.107 128 L CA 1.088 55.965 54.840 0.062 0.000 0.783 128 L CB -0.671 41.419 42.059 0.052 0.000 0.919 128 L HN -0.158 nan 8.230 nan 0.000 0.442 129 D N 0.221 120.633 120.400 0.020 0.000 2.183 129 D HA -0.101 4.588 4.640 0.081 0.000 0.203 129 D C 2.172 178.473 176.300 0.002 0.000 0.969 129 D CA 0.927 54.928 54.000 0.002 0.000 0.842 129 D CB 0.132 40.927 40.800 -0.010 0.000 0.957 129 D HN 0.323 nan 8.370 nan 0.000 0.484 130 R N -0.355 120.157 120.500 0.020 0.000 2.240 130 R HA 0.094 4.483 4.340 0.081 0.000 0.203 130 R C 1.417 177.700 176.300 -0.027 0.000 1.011 130 R CA 0.618 56.726 56.100 0.014 0.000 1.007 130 R CB 0.387 30.724 30.300 0.061 0.000 0.911 130 R HN 0.127 nan 8.270 nan 0.000 0.468 131 G N 0.579 109.345 108.800 -0.057 0.000 2.141 131 G HA2 -0.235 3.773 3.960 0.081 0.000 0.242 131 G HA3 -0.235 3.773 3.960 0.081 0.000 0.242 131 G C 0.102 174.835 174.900 -0.277 0.000 0.982 131 G CA -0.090 44.921 45.100 -0.148 0.000 0.662 131 G HN 0.128 nan 8.290 nan 0.000 0.527 132 V N 3.121 122.929 119.914 -0.176 0.000 2.555 132 V HA 0.247 4.416 4.120 0.081 0.000 0.286 132 V C 0.953 176.874 176.094 -0.289 0.000 1.044 132 V CA -0.732 61.429 62.300 -0.231 0.000 1.026 132 V CB 0.753 32.501 31.823 -0.124 0.000 0.981 132 V HN 0.346 nan 8.190 nan 0.000 0.480 133 H N 3.538 122.454 119.070 -0.258 0.000 2.803 133 H HA 0.264 4.868 4.556 0.081 0.000 0.330 133 H C -0.362 174.833 175.328 -0.221 0.000 1.057 133 H CA -0.055 55.823 56.048 -0.283 0.000 1.458 133 H CB 1.276 30.672 29.762 -0.611 0.000 1.470 133 H HN 0.363 nan 8.280 nan 0.000 0.560 134 V N 5.104 125.014 119.914 -0.007 0.000 2.378 134 V HA 0.175 4.344 4.120 0.081 0.000 0.288 134 V C -0.001 176.086 176.094 -0.011 0.000 1.016 134 V CA -0.775 61.516 62.300 -0.016 0.000 0.840 134 V CB 1.577 33.443 31.823 0.071 0.000 0.994 134 V HN 0.577 nan 8.190 nan 0.000 0.431 135 V N 2.345 122.250 119.914 -0.015 0.000 2.444 135 V HA 0.978 5.147 4.120 0.081 0.000 0.294 135 V C 0.090 176.128 176.094 -0.094 0.000 1.022 135 V CA -0.824 61.463 62.300 -0.020 0.000 0.850 135 V CB 1.413 33.263 31.823 0.045 0.000 0.992 135 V HN 0.906 nan 8.190 nan 0.000 0.426 136 A N 5.197 127.969 122.820 -0.080 0.000 2.305 136 A HA 0.877 5.246 4.320 0.081 0.000 0.322 136 A C -0.690 176.806 177.584 -0.146 0.000 1.187 136 A CA -0.648 51.258 52.037 -0.218 0.000 0.825 136 A CB 0.821 19.693 19.000 -0.212 0.000 1.164 136 A HN 1.502 nan 8.150 nan 0.000 0.498 137 Y N -0.269 119.827 120.300 -0.340 0.000 2.387 137 Y HA 0.782 5.380 4.550 0.081 0.000 0.336 137 Y C -1.319 174.399 175.900 -0.303 0.000 1.067 137 Y CA -1.881 56.125 58.100 -0.157 0.000 1.114 137 Y CB 0.820 39.248 38.460 -0.053 0.000 1.208 137 Y HN 0.389 nan 8.280 nan 0.000 0.458 138 F N 3.676 123.668 119.950 0.070 0.000 2.388 138 F HA 0.432 5.008 4.527 0.081 0.000 0.358 138 F C 0.119 175.884 175.800 -0.058 0.000 1.122 138 F CA -0.368 57.615 58.000 -0.028 0.000 1.056 138 F CB 1.537 40.543 39.000 0.011 0.000 1.155 138 F HN 0.574 nan 8.300 nan 0.000 0.461 139 Q N 3.138 122.908 119.800 -0.049 0.000 2.423 139 Q HA 0.167 4.555 4.340 0.081 0.000 0.278 139 Q C 0.899 176.830 176.000 -0.115 0.000 1.097 139 Q CA -0.445 55.197 55.803 -0.269 0.000 0.809 139 Q CB 2.144 30.420 28.738 -0.769 0.000 1.391 139 Q HN 0.868 nan 8.270 nan 0.000 0.428 140 E N 2.057 122.208 120.200 -0.081 0.000 2.113 140 E HA -0.250 4.149 4.350 0.081 0.000 0.210 140 E C 0.325 176.919 176.600 -0.010 0.000 1.040 140 E CA 2.002 58.394 56.400 -0.012 0.000 0.847 140 E CB 0.276 29.983 29.700 0.012 0.000 0.755 140 E HN 0.459 nan 8.360 nan 0.000 0.459 141 K N -0.656 119.729 120.400 -0.025 0.000 2.358 141 K HA 0.163 4.531 4.320 0.081 0.000 0.197 141 K C -0.001 176.583 176.600 -0.027 0.000 1.025 141 K CA -0.010 56.273 56.287 -0.007 0.000 1.104 141 K CB 0.721 33.233 32.500 0.019 0.000 0.855 141 K HN 0.131 nan 8.250 nan 0.000 0.531 142 L N 0.463 121.648 121.223 -0.064 0.000 2.488 142 L HA 0.293 4.682 4.340 0.081 0.000 0.250 142 L C 0.533 177.298 176.870 -0.175 0.000 1.280 142 L CA -0.375 54.396 54.840 -0.114 0.000 0.929 142 L CB 1.547 43.550 42.059 -0.094 0.000 1.200 142 L HN 0.323 nan 8.230 nan 0.000 0.495 143 G N 0.284 109.022 108.800 -0.104 0.000 2.284 143 G HA2 0.010 4.018 3.960 0.081 0.000 0.216 143 G HA3 0.010 4.018 3.960 0.081 0.000 0.216 143 G C 0.572 175.555 174.900 0.138 0.000 1.009 143 G CA -0.174 44.903 45.100 -0.037 0.000 0.625 143 G HN 1.268 nan 8.290 nan 0.000 0.501 144 G N -0.299 108.555 108.800 0.090 0.000 2.705 144 G HA2 0.235 4.244 3.960 0.081 0.000 0.686 144 G HA3 0.235 4.244 3.960 0.081 0.000 0.686 144 G C -0.411 174.569 174.900 0.133 0.000 1.285 144 G CA 0.317 45.472 45.100 0.091 0.000 0.800 144 G HN 0.977 nan 8.290 nan 0.000 0.611 145 E N -0.717 119.529 120.200 0.076 0.000 2.371 145 E HA 0.517 4.916 4.350 0.081 0.000 0.257 145 E C 0.008 176.630 176.600 0.037 0.000 1.134 145 E CA -0.447 56.003 56.400 0.082 0.000 0.919 145 E CB 0.836 30.572 29.700 0.061 0.000 1.025 145 E HN 0.356 nan 8.360 nan 0.000 0.438 146 L N 0.915 122.169 121.223 0.052 0.000 2.325 146 L HA 0.319 4.707 4.340 0.081 0.000 0.278 146 L C -0.452 176.412 176.870 -0.009 0.000 1.023 146 L CA -0.000 54.836 54.840 -0.006 0.000 0.811 146 L CB 1.995 44.034 42.059 -0.032 0.000 1.249 146 L HN 0.377 nan 8.230 nan 0.000 0.431 147 S N 2.443 118.104 115.700 -0.066 0.000 2.566 147 S HA 0.746 5.265 4.470 0.081 0.000 0.298 147 S C -0.643 173.902 174.600 -0.092 0.000 1.083 147 S CA -0.603 57.517 58.200 -0.134 0.000 0.978 147 S CB 1.735 64.870 63.200 -0.108 0.000 1.073 147 S HN 0.468 nan 8.310 nan 0.000 0.491 148 I N -0.275 120.228 120.570 -0.112 0.000 2.354 148 I HA 0.629 4.847 4.170 0.081 0.000 0.292 148 I C 0.267 176.373 176.117 -0.017 0.000 0.989 148 I CA -0.485 60.804 61.300 -0.019 0.000 1.188 148 I CB 1.514 39.548 38.000 0.057 0.000 1.342 148 I HN 0.431 nan 8.210 nan 0.000 0.457 149 S N 4.683 120.376 115.700 -0.013 0.000 2.584 149 S HA 0.202 4.720 4.470 0.081 0.000 0.270 149 S C 0.202 174.799 174.600 -0.004 0.000 1.346 149 S CA -0.643 57.544 58.200 -0.021 0.000 1.018 149 S CB 0.498 63.687 63.200 -0.018 0.000 0.899 149 S HN 0.811 nan 8.310 nan 0.000 0.542 150 K N 1.567 121.952 120.400 -0.026 0.000 2.219 150 K HA 0.427 4.796 4.320 0.081 0.000 0.258 150 K C -0.278 176.327 176.600 0.008 0.000 1.008 150 K CA -0.418 55.858 56.287 -0.018 0.000 0.928 150 K CB 0.369 32.838 32.500 -0.051 0.000 0.983 150 K HN 0.515 nan 8.250 nan 0.000 0.484 151 T N 0.176 114.746 114.554 0.027 0.000 2.742 151 T HA 0.145 4.544 4.350 0.081 0.000 0.282 151 T C -0.034 174.684 174.700 0.030 0.000 1.025 151 T CA -0.844 61.276 62.100 0.032 0.000 1.020 151 T CB 1.182 70.081 68.868 0.051 0.000 1.317 151 T HN 0.572 nan 8.240 nan 0.000 0.538 152 D N 0.542 120.961 120.400 0.030 0.000 2.312 152 D HA 0.044 4.733 4.640 0.081 0.000 0.211 152 D C 1.249 177.575 176.300 0.043 0.000 0.964 152 D CA 0.840 54.857 54.000 0.028 0.000 0.877 152 D CB 0.078 40.892 40.800 0.023 0.000 0.924 152 D HN 0.306 nan 8.370 nan 0.000 0.515 153 S N -0.904 114.833 115.700 0.062 0.000 2.603 153 S HA 0.106 4.625 4.470 0.081 0.000 0.232 153 S C 0.402 175.083 174.600 0.136 0.000 1.016 153 S CA -0.435 57.816 58.200 0.085 0.000 0.976 153 S CB 0.824 64.069 63.200 0.074 0.000 0.921 153 S HN 0.214 nan 8.310 nan 0.000 0.516 154 S N 1.649 117.431 115.700 0.136 0.000 2.548 154 S HA 0.716 5.235 4.470 0.081 0.000 0.276 154 S C -3.486 171.177 174.600 0.106 0.000 1.129 154 S CA -1.540 56.786 58.200 0.210 0.000 0.931 154 S CB 2.176 65.533 63.200 0.262 0.000 1.068 154 S HN -0.110 nan 8.310 nan 0.000 0.480 155 P HA 0.376 nan 4.420 nan 0.000 0.278 155 P C -0.594 176.559 177.300 -0.245 0.000 1.266 155 P CA -0.586 62.413 63.100 -0.169 0.000 0.807 155 P CB 0.465 31.955 31.700 -0.349 0.000 1.094 156 E N 0.309 120.322 120.200 -0.313 0.000 2.383 156 E HA 0.256 4.654 4.350 0.081 0.000 0.264 156 E C -1.251 175.012 176.600 -0.562 0.000 1.050 156 E CA 0.011 56.245 56.400 -0.276 0.000 0.896 156 E CB 0.139 29.717 29.700 -0.204 0.000 0.982 156 E HN 0.229 nan 8.360 nan 0.000 0.424 157 F N 0.774 120.581 119.950 -0.238 0.000 2.599 157 F HA 0.337 4.912 4.527 0.081 0.000 0.311 157 F C -0.151 175.375 175.800 -0.457 0.000 1.076 157 F CA -0.601 57.201 58.000 -0.330 0.000 0.937 157 F CB 2.443 41.209 39.000 -0.390 0.000 1.282 157 F HN 0.237 nan 8.300 nan 0.000 0.460 158 S N 1.367 116.927 115.700 -0.234 0.000 2.536 158 S HA 0.707 5.226 4.470 0.081 0.000 0.298 158 S C -1.319 173.071 174.600 -0.350 0.000 1.083 158 S CA -0.634 57.375 58.200 -0.319 0.000 0.995 158 S CB 1.162 64.294 63.200 -0.113 0.000 1.058 158 S HN 0.363 nan 8.310 nan 0.000 0.488 159 F N 1.288 121.294 119.950 0.095 0.000 2.436 159 F HA 0.349 4.924 4.527 0.081 0.000 0.340 159 F C 1.198 177.074 175.800 0.127 0.000 1.113 159 F CA -0.855 57.208 58.000 0.105 0.000 1.022 159 F CB 1.096 40.162 39.000 0.110 0.000 1.128 159 F HN 0.496 nan 8.300 nan 0.000 0.466 160 D N 1.780 122.390 120.400 0.349 0.000 2.084 160 D HA -0.147 4.542 4.640 0.081 0.000 0.194 160 D C -0.306 176.202 176.300 0.347 0.000 0.990 160 D CA 1.834 56.033 54.000 0.331 0.000 0.826 160 D CB 0.042 41.088 40.800 0.410 0.000 0.971 160 D HN 0.361 nan 8.370 nan 0.000 0.453 161 W N 0.660 122.080 121.300 0.200 0.000 2.424 161 W HA 0.346 5.055 4.660 0.081 0.000 0.318 161 W C -0.637 176.027 176.519 0.242 0.000 1.016 161 W CA -0.575 56.907 57.345 0.228 0.000 1.268 161 W CB 1.099 30.664 29.460 0.175 0.000 1.297 161 W HN -0.424 nan 8.180 nan 0.000 0.428 162 T N 5.153 119.980 114.554 0.455 0.000 2.733 162 T HA 0.527 4.926 4.350 0.081 0.000 0.294 162 T C -0.078 174.910 174.700 0.480 0.000 0.956 162 T CA -0.499 61.831 62.100 0.383 0.000 0.987 162 T CB 0.223 69.259 68.868 0.280 0.000 0.920 162 T HN 0.069 nan 8.240 nan 0.000 0.470 163 L N 2.662 124.168 121.223 0.472 0.000 2.289 163 L HA 0.735 5.123 4.340 0.081 0.000 0.285 163 L C 0.338 177.517 176.870 0.516 0.000 1.049 163 L CA -1.024 54.133 54.840 0.528 0.000 0.804 163 L CB 1.087 43.540 42.059 0.657 0.000 1.195 163 L HN 0.623 nan 8.230 nan 0.000 0.428 164 A N 2.794 125.842 122.820 0.379 0.000 2.285 164 A HA 0.348 4.717 4.320 0.081 0.000 0.310 164 A C -0.347 177.325 177.584 0.146 0.000 1.266 164 A CA -0.496 51.726 52.037 0.308 0.000 0.832 164 A CB 0.663 19.844 19.000 0.301 0.000 1.163 164 A HN 0.765 nan 8.150 nan 0.000 0.499 165 E N 2.916 123.172 120.200 0.093 0.000 2.129 165 E HA 0.357 4.756 4.350 0.081 0.000 0.283 165 E C -0.619 176.015 176.600 0.056 0.000 1.080 165 E CA -0.264 56.091 56.400 -0.075 0.000 0.867 165 E CB 0.584 30.157 29.700 -0.210 0.000 1.056 165 E HN 0.460 nan 8.360 nan 0.000 0.404 166 V N 4.871 124.815 119.914 0.051 0.000 2.637 166 V HA -0.013 4.155 4.120 0.081 0.000 0.296 166 V C 1.219 177.358 176.094 0.075 0.000 1.046 166 V CA 0.345 62.689 62.300 0.073 0.000 1.066 166 V CB 1.308 33.172 31.823 0.069 0.000 0.968 166 V HN 0.852 nan 8.190 nan 0.000 0.483 167 E N 2.486 122.732 120.200 0.077 0.000 2.152 167 E HA 0.116 4.515 4.350 0.081 0.000 0.195 167 E C 0.510 177.143 176.600 0.054 0.000 0.934 167 E CA 0.768 57.209 56.400 0.068 0.000 0.869 167 E CB 0.783 30.527 29.700 0.073 0.000 0.842 167 E HN 0.854 nan 8.360 nan 0.000 0.472 168 S N -0.464 115.268 115.700 0.053 0.000 2.550 168 S HA 0.379 4.898 4.470 0.081 0.000 0.270 168 S C -0.184 174.440 174.600 0.041 0.000 1.145 168 S CA -0.800 57.425 58.200 0.042 0.000 0.852 168 S CB 1.189 64.410 63.200 0.034 0.000 1.119 168 S HN 0.330 nan 8.310 nan 0.000 0.465 169 I N -2.254 118.335 120.570 0.031 0.000 3.994 169 I HA 0.401 4.620 4.170 0.081 0.000 0.323 169 I C 1.580 177.706 176.117 0.014 0.000 1.501 169 I CA -0.719 60.597 61.300 0.026 0.000 1.112 169 I CB -0.796 37.219 38.000 0.026 0.000 1.254 169 I HN 0.721 nan 8.210 nan 0.000 0.495 170 Y N 2.215 122.522 120.300 0.012 0.000 2.036 170 Y HA -0.056 4.543 4.550 0.081 0.000 0.273 170 Y C 0.174 176.077 175.900 0.004 0.000 1.135 170 Y CA 2.803 60.905 58.100 0.004 0.000 1.106 170 Y CB -2.741 35.722 38.460 0.004 0.000 0.976 170 Y HN 0.378 nan 8.280 nan 0.000 0.483 171 P HA 0.217 nan 4.420 nan 0.000 0.213 171 P C -0.468 176.840 177.300 0.013 0.000 1.156 171 P CA 1.218 64.323 63.100 0.009 0.000 0.884 171 P CB 0.224 31.930 31.700 0.010 0.000 0.774 172 V N 2.281 122.206 119.914 0.018 0.000 2.656 172 V HA 0.344 4.513 4.120 0.081 0.000 0.307 172 V C -2.546 173.567 176.094 0.032 0.000 1.051 172 V CA -2.068 60.247 62.300 0.024 0.000 0.893 172 V CB 1.967 33.805 31.823 0.024 0.000 0.999 172 V HN 0.022 nan 8.190 nan 0.000 0.426 173 P HA 0.204 nan 4.420 nan 0.000 0.263 173 P C -0.903 176.433 177.300 0.059 0.000 1.195 173 P CA 0.112 63.242 63.100 0.050 0.000 0.762 173 P CB 0.509 32.244 31.700 0.058 0.000 0.799 174 K N 2.997 123.435 120.400 0.063 0.000 2.422 174 K HA 0.560 4.929 4.320 0.081 0.000 0.251 174 K C 0.087 176.740 176.600 0.088 0.000 0.933 174 K CA -0.992 55.338 56.287 0.072 0.000 0.798 174 K CB 2.070 34.607 32.500 0.061 0.000 1.238 174 K HN 0.466 nan 8.250 nan 0.000 0.428 175 I N -1.249 119.386 120.570 0.108 0.000 2.525 175 I HA 0.387 4.606 4.170 0.081 0.000 0.301 175 I C 0.802 177.000 176.117 0.136 0.000 0.992 175 I CA -0.705 60.674 61.300 0.133 0.000 1.162 175 I CB 1.932 40.038 38.000 0.177 0.000 1.332 175 I HN 0.559 nan 8.210 nan 0.000 0.458 176 K N 2.901 123.384 120.400 0.137 0.000 2.029 176 K HA 0.232 4.600 4.320 0.081 0.000 0.205 176 K C 0.617 177.315 176.600 0.163 0.000 1.042 176 K CA 0.732 57.099 56.287 0.134 0.000 0.949 176 K CB 0.375 32.951 32.500 0.128 0.000 0.740 176 K HN 0.671 nan 8.250 nan 0.000 0.442 177 R N -1.417 119.211 120.500 0.212 0.000 2.855 177 R HA 0.292 4.681 4.340 0.081 0.000 0.266 177 R C -1.579 174.956 176.300 0.391 0.000 1.034 177 R CA -0.842 55.406 56.100 0.246 0.000 0.944 177 R CB 1.589 32.048 30.300 0.266 0.000 1.219 177 R HN 0.076 nan 8.270 nan 0.000 0.474 178 Y N -1.833 118.640 120.300 0.290 0.000 2.536 178 Y HA 0.904 5.502 4.550 0.081 0.000 0.347 178 Y C -0.327 175.668 175.900 0.158 0.000 1.000 178 Y CA -1.251 57.021 58.100 0.287 0.000 1.051 178 Y CB 1.851 40.409 38.460 0.162 0.000 1.259 178 Y HN 0.602 nan 8.280 nan 0.000 0.468 179 G N 0.661 109.671 108.800 0.349 0.000 2.533 179 G HA2 0.621 4.630 3.960 0.081 0.000 0.304 179 G HA3 0.621 4.630 3.960 0.081 0.000 0.304 179 G C -2.125 172.854 174.900 0.132 0.000 1.263 179 G CA -1.218 43.872 45.100 -0.017 0.000 0.964 179 G HN 0.682 nan 8.290 nan 0.000 0.479 180 V N 1.020 120.944 119.914 0.016 0.000 2.483 180 V HA 0.483 4.652 4.120 0.081 0.000 0.297 180 V C -0.459 175.685 176.094 0.083 0.000 1.027 180 V CA -0.523 61.783 62.300 0.010 0.000 0.855 180 V CB 1.465 33.152 31.823 -0.227 0.000 0.995 180 V HN 0.589 nan 8.190 nan 0.000 0.424 181 L N 4.567 125.882 121.223 0.153 0.000 2.333 181 L HA 0.621 5.010 4.340 0.081 0.000 0.280 181 L C -0.173 176.734 176.870 0.062 0.000 1.004 181 L CA -0.404 54.483 54.840 0.079 0.000 0.820 181 L CB 1.812 43.827 42.059 -0.072 0.000 1.247 181 L HN 0.529 nan 8.230 nan 0.000 0.416 182 E N 3.853 123.951 120.200 -0.171 0.000 2.151 182 E HA 0.461 4.859 4.350 0.081 0.000 0.275 182 E C -0.993 175.557 176.600 -0.083 0.000 0.936 182 E CA -0.739 55.482 56.400 -0.298 0.000 0.777 182 E CB 2.909 31.894 29.700 -1.192 0.000 1.108 182 E HN 0.271 nan 8.360 nan 0.000 0.401 183 I N 2.641 123.281 120.570 0.116 0.000 2.377 183 I HA 0.126 4.344 4.170 0.081 0.000 0.293 183 I C -0.198 176.077 176.117 0.264 0.000 0.987 183 I CA -0.470 60.960 61.300 0.217 0.000 1.185 183 I CB 1.515 39.656 38.000 0.236 0.000 1.341 183 I HN 0.257 nan 8.210 nan 0.000 0.455 184 Q N 4.487 124.479 119.800 0.321 0.000 2.304 184 Q HA 0.561 4.950 4.340 0.081 0.000 0.270 184 Q C -0.196 175.970 176.000 0.276 0.000 1.035 184 Q CA -0.575 55.423 55.803 0.325 0.000 0.781 184 Q CB 1.707 30.707 28.738 0.438 0.000 1.261 184 Q HN 0.833 nan 8.270 nan 0.000 0.444 185 T N 0.865 115.574 114.554 0.258 0.000 2.235 185 T HA 0.735 5.133 4.350 0.081 0.000 0.194 185 T C -0.290 174.574 174.700 0.273 0.000 0.754 185 T CA -0.303 61.948 62.100 0.251 0.000 1.547 185 T CB 0.233 69.246 68.868 0.241 0.000 3.195 185 T HN 0.545 nan 8.240 nan 0.000 0.408 186 M N 2.364 122.144 119.600 0.301 0.000 2.413 186 M HA 0.434 4.963 4.480 0.081 0.000 0.287 186 M C -2.314 174.181 176.300 0.325 0.000 1.186 186 M CA -0.770 54.708 55.300 0.297 0.000 0.927 186 M CB 2.155 34.981 32.600 0.375 0.000 1.715 186 M HN 0.836 nan 8.290 nan 0.000 0.478 187 D N 1.929 122.462 120.400 0.221 0.000 2.326 187 D HA 0.569 5.258 4.640 0.081 0.000 0.248 187 D C -1.261 175.164 176.300 0.207 0.000 1.001 187 D CA -0.115 54.033 54.000 0.248 0.000 0.961 187 D CB 1.461 42.326 40.800 0.108 0.000 1.183 187 D HN 0.408 nan 8.370 nan 0.000 0.502 188 F N -0.816 119.103 119.950 -0.052 0.000 2.654 188 F HA 0.301 4.878 4.527 0.082 0.000 0.334 188 F C 0.788 176.486 175.800 -0.170 0.000 1.078 188 F CA -0.742 57.223 58.000 -0.058 0.000 0.986 188 F CB 1.394 40.482 39.000 0.146 0.000 1.362 188 F HN 0.225 nan 8.300 nan 0.000 0.498 189 H N 0.133 119.260 119.070 0.095 0.000 2.505 189 H HA 0.451 5.054 4.556 0.079 0.000 0.355 189 H C 0.726 176.104 175.328 0.084 0.000 1.179 189 H CA 0.513 56.590 56.048 0.047 0.000 1.343 189 H CB 0.790 30.552 29.762 0.000 0.000 1.501 189 H HN 0.771 nan 8.280 nan 0.000 0.569 190 G N 1.007 109.897 108.800 0.150 0.000 2.566 190 G HA2 -0.276 3.733 3.960 0.081 0.000 0.280 190 G HA3 -0.276 3.733 3.960 0.081 0.000 0.280 190 G C -0.073 174.831 174.900 0.007 0.000 1.225 190 G CA 0.301 45.458 45.100 0.095 0.000 0.966 190 G HN 0.744 nan 8.290 nan 0.000 0.560 191 S N -1.917 113.802 115.700 0.032 0.000 2.599 191 S HA 0.717 5.236 4.470 0.081 0.000 0.287 191 S C 0.147 174.779 174.600 0.052 0.000 1.105 191 S CA -0.006 58.150 58.200 -0.073 0.000 0.899 191 S CB 1.264 64.457 63.200 -0.012 0.000 1.100 191 S HN 0.784 nan 8.310 nan 0.000 0.482 192 Y N 1.460 121.775 120.300 0.026 0.000 2.449 192 Y HA 0.409 5.008 4.550 0.082 0.000 0.254 192 Y C 2.071 177.968 175.900 -0.005 0.000 1.140 192 Y CA -0.472 57.636 58.100 0.013 0.000 1.272 192 Y CB -0.427 38.025 38.460 -0.013 0.000 1.114 192 Y HN 0.644 nan 8.280 nan 0.000 0.525 193 K N 0.530 120.942 120.400 0.020 0.000 2.107 193 K HA -0.285 4.084 4.320 0.081 0.000 0.211 193 K C 1.124 177.635 176.600 -0.148 0.000 1.049 193 K CA 2.489 58.696 56.287 -0.134 0.000 0.927 193 K CB -0.158 32.139 32.500 -0.339 0.000 0.714 193 K HN 0.491 nan 8.250 nan 0.000 0.452 194 H N -1.027 118.090 119.070 0.079 0.000 2.403 194 H HA 0.062 4.666 4.556 0.081 0.000 0.298 194 H C 1.939 177.307 175.328 0.067 0.000 1.059 194 H CA 1.139 57.225 56.048 0.063 0.000 1.363 194 H CB -0.020 29.770 29.762 0.047 0.000 1.410 194 H HN 0.341 nan 8.280 nan 0.000 0.528 195 A N 0.637 123.565 122.820 0.178 0.000 1.898 195 A HA -0.101 4.268 4.320 0.081 0.000 0.216 195 A C 2.470 180.103 177.584 0.081 0.000 1.181 195 A CA 1.400 53.500 52.037 0.106 0.000 0.620 195 A CB -0.768 18.268 19.000 0.060 0.000 0.819 195 A HN 0.228 nan 8.150 nan 0.000 0.442 196 V N 0.018 119.990 119.914 0.097 0.000 2.295 196 V HA -0.188 3.981 4.120 0.081 0.000 0.246 196 V C 2.832 178.989 176.094 0.104 0.000 1.049 196 V CA 2.025 64.389 62.300 0.107 0.000 1.024 196 V CB -1.451 30.469 31.823 0.161 0.000 0.648 196 V HN 0.601 nan 8.190 nan 0.000 0.447 197 G N -0.589 108.264 108.800 0.088 0.000 2.422 197 G HA2 -0.194 3.815 3.960 0.081 0.000 0.218 197 G HA3 -0.194 3.815 3.960 0.081 0.000 0.218 197 G C 1.710 176.663 174.900 0.088 0.000 1.146 197 G CA 1.062 46.209 45.100 0.079 0.000 0.769 197 G HN 0.618 nan 8.290 nan 0.000 0.547 198 A N 1.032 123.920 122.820 0.113 0.000 1.929 198 A HA 0.133 4.502 4.320 0.081 0.000 0.216 198 A C 2.376 180.057 177.584 0.161 0.000 1.176 198 A CA 1.315 53.437 52.037 0.141 0.000 0.628 198 A CB -0.325 18.780 19.000 0.176 0.000 0.816 198 A HN 0.718 nan 8.150 nan 0.000 0.444 199 I N -3.220 117.448 120.570 0.163 0.000 3.059 199 I HA 0.051 4.270 4.170 0.081 0.000 0.270 199 I C 1.600 177.796 176.117 0.131 0.000 1.238 199 I CA 1.762 63.194 61.300 0.220 0.000 1.478 199 I CB -0.207 37.882 38.000 0.148 0.000 1.097 199 I HN 0.127 nan 8.210 nan 0.000 0.455 200 D N 2.099 122.548 120.400 0.081 0.000 2.183 200 D HA -0.150 4.539 4.640 0.081 0.000 0.203 200 D C 2.139 178.436 176.300 -0.006 0.000 0.969 200 D CA 1.666 55.708 54.000 0.070 0.000 0.842 200 D CB -0.136 40.737 40.800 0.122 0.000 0.957 200 D HN 0.663 nan 8.370 nan 0.000 0.484 201 I N -2.214 118.346 120.570 -0.016 0.000 2.546 201 I HA 0.064 4.283 4.170 0.081 0.000 0.255 201 I C 2.035 178.071 176.117 -0.135 0.000 1.163 201 I CA 1.037 62.303 61.300 -0.056 0.000 1.457 201 I CB -0.226 37.753 38.000 -0.034 0.000 1.092 201 I HN -0.058 nan 8.210 nan 0.000 0.434 202 A N 1.198 123.892 122.820 -0.210 0.000 2.067 202 A HA 0.107 4.475 4.320 0.081 0.000 0.217 202 A C 2.321 179.839 177.584 -0.110 0.000 1.156 202 A CA 0.816 52.639 52.037 -0.357 0.000 0.683 202 A CB -0.541 17.862 19.000 -0.995 0.000 0.808 202 A HN 0.576 nan 8.150 nan 0.000 0.455 203 L N -0.445 120.650 121.223 -0.213 0.000 2.049 203 L HA -0.084 4.305 4.340 0.081 0.000 0.203 203 L C 2.325 179.067 176.870 -0.213 0.000 1.074 203 L CA 1.321 55.881 54.840 -0.466 0.000 0.749 203 L CB -0.101 41.648 42.059 -0.517 0.000 0.907 203 L HN 0.237 nan 8.230 nan 0.000 0.439 204 V N -0.424 119.409 119.914 -0.134 0.000 2.273 204 V HA -0.167 4.002 4.120 0.081 0.000 0.242 204 V C 2.214 178.268 176.094 -0.068 0.000 1.035 204 V CA 1.684 63.933 62.300 -0.085 0.000 1.013 204 V CB -0.548 31.241 31.823 -0.056 0.000 0.652 204 V HN 0.359 nan 8.190 nan 0.000 0.452 205 E N 0.836 120.994 120.200 -0.070 0.000 2.216 205 E HA 0.121 4.519 4.350 0.081 0.000 0.192 205 E C 1.367 177.928 176.600 -0.066 0.000 0.988 205 E CA 0.627 56.991 56.400 -0.059 0.000 0.834 205 E CB -0.412 29.254 29.700 -0.056 0.000 0.772 205 E HN 0.607 nan 8.360 nan 0.000 0.479 206 G N 0.531 109.274 108.800 -0.094 0.000 2.594 206 G HA2 0.257 4.266 3.960 0.081 0.000 0.243 206 G HA3 0.257 4.266 3.960 0.081 0.000 0.243 206 G C 0.674 175.562 174.900 -0.020 0.000 1.229 206 G CA -0.180 44.865 45.100 -0.092 0.000 0.843 206 G HN 0.192 nan 8.290 nan 0.000 0.578 207 I N -2.020 118.552 120.570 0.004 0.000 3.265 207 I HA 0.323 4.541 4.170 0.081 0.000 0.282 207 I C 0.360 176.523 176.117 0.077 0.000 1.207 207 I CA 0.089 61.409 61.300 0.034 0.000 1.449 207 I CB 0.379 38.396 38.000 0.028 0.000 1.121 207 I HN 0.272 nan 8.210 nan 0.000 0.442 208 D N -0.240 120.228 120.400 0.114 0.000 2.336 208 D HA 0.189 4.877 4.640 0.081 0.000 0.248 208 D C 0.173 176.638 176.300 0.275 0.000 1.326 208 D CA -0.623 53.483 54.000 0.178 0.000 0.973 208 D CB 0.708 41.594 40.800 0.143 0.000 1.255 208 D HN 0.034 nan 8.370 nan 0.000 0.558 209 F N 3.162 123.215 119.950 0.172 0.000 2.098 209 F HA 0.001 4.576 4.527 0.081 0.000 0.294 209 F C 1.836 177.827 175.800 0.318 0.000 1.107 209 F CA 1.575 59.705 58.000 0.217 0.000 1.234 209 F CB 0.006 39.118 39.000 0.187 0.000 1.002 209 F HN 0.536 nan 8.300 nan 0.000 0.472 210 H N -1.145 118.012 119.070 0.146 0.000 2.457 210 H HA -0.017 4.588 4.556 0.082 0.000 0.294 210 H C 2.240 177.577 175.328 0.015 0.000 1.064 210 H CA 0.929 56.991 56.048 0.023 0.000 1.330 210 H CB -0.497 29.322 29.762 0.095 0.000 1.395 210 H HN 0.428 nan 8.280 nan 0.000 0.541 211 G N -0.724 108.198 108.800 0.203 0.000 2.744 211 G HA2 -0.192 3.817 3.960 0.081 0.000 0.211 211 G HA3 -0.192 3.817 3.960 0.081 0.000 0.211 211 G C 1.392 176.372 174.900 0.134 0.000 1.143 211 G CA -0.103 45.077 45.100 0.134 0.000 0.788 211 G HN 0.480 nan 8.290 nan 0.000 0.534 212 W N 0.258 121.516 121.300 -0.071 0.000 2.907 212 W HA 0.353 5.061 4.660 0.081 0.000 0.271 212 W C 1.785 178.209 176.519 -0.157 0.000 1.253 212 W CA -0.090 57.202 57.345 -0.089 0.000 1.501 212 W CB 0.161 29.587 29.460 -0.057 0.000 1.047 212 W HN 0.039 nan 8.180 nan 0.000 0.610 213 L N 2.135 123.226 121.223 -0.219 0.000 2.093 213 L HA -0.094 4.295 4.340 0.081 0.000 0.208 213 L C -0.331 176.336 176.870 -0.340 0.000 1.085 213 L CA 1.077 55.681 54.840 -0.393 0.000 0.755 213 L CB -1.806 40.039 42.059 -0.357 0.000 0.904 213 L HN -0.119 nan 8.230 nan 0.000 0.435 214 P HA -0.038 nan 4.420 nan 0.000 0.241 214 P C 0.759 177.944 177.300 -0.193 0.000 1.191 214 P CA 0.725 63.719 63.100 -0.176 0.000 0.771 214 P CB -0.147 31.483 31.700 -0.116 0.000 0.929 215 T N 1.929 116.319 114.554 -0.274 0.000 2.898 215 T HA 0.143 4.542 4.350 0.081 0.000 0.301 215 T C -1.286 173.257 174.700 -0.262 0.000 1.049 215 T CA -1.664 60.285 62.100 -0.252 0.000 1.095 215 T CB 0.482 69.184 68.868 -0.277 0.000 0.976 215 T HN -0.060 nan 8.240 nan 0.000 0.539 216 P HA -0.145 nan 4.420 nan 0.000 0.217 216 P C 1.099 178.309 177.300 -0.149 0.000 1.148 216 P CA 1.370 64.404 63.100 -0.111 0.000 0.834 216 P CB -0.067 31.596 31.700 -0.061 0.000 0.783 217 A N 0.015 122.704 122.820 -0.217 0.000 1.929 217 A HA 0.026 4.395 4.320 0.081 0.000 0.216 217 A C 2.594 179.913 177.584 -0.441 0.000 1.176 217 A CA 1.848 53.762 52.037 -0.205 0.000 0.628 217 A CB -1.703 17.250 19.000 -0.079 0.000 0.816 217 A HN 0.304 nan 8.150 nan 0.000 0.444 218 G N -0.754 107.473 108.800 -0.955 0.000 2.403 218 G HA2 -0.139 3.870 3.960 0.081 0.000 0.216 218 G HA3 -0.139 3.870 3.960 0.081 0.000 0.216 218 G C 1.739 176.336 174.900 -0.505 0.000 1.154 218 G CA 0.620 44.910 45.100 -1.350 0.000 0.784 218 G HN 0.513 nan 8.290 nan 0.000 0.538 219 R N 0.416 120.747 120.500 -0.282 0.000 2.115 219 R HA 0.051 4.440 4.340 0.081 0.000 0.230 219 R C 2.942 179.294 176.300 0.086 0.000 1.111 219 R CA 1.006 57.114 56.100 0.013 0.000 0.976 219 R CB -0.238 30.099 30.300 0.062 0.000 0.870 219 R HN 0.354 nan 8.270 nan 0.000 0.445 220 A N 1.138 123.939 122.820 -0.031 0.000 1.898 220 A HA -0.056 4.313 4.320 0.081 0.000 0.216 220 A C 2.341 179.907 177.584 -0.031 0.000 1.181 220 A CA 1.507 53.525 52.037 -0.032 0.000 0.620 220 A CB -0.497 18.488 19.000 -0.026 0.000 0.819 220 A HN 0.369 nan 8.150 nan 0.000 0.442 221 A N -0.279 122.534 122.820 -0.012 0.000 1.898 221 A HA -0.004 4.364 4.320 0.081 0.000 0.216 221 A C 2.062 179.672 177.584 0.043 0.000 1.181 221 A CA 1.390 53.472 52.037 0.076 0.000 0.620 221 A CB -0.585 18.568 19.000 0.256 0.000 0.819 221 A HN 0.455 nan 8.150 nan 0.000 0.442 222 L N 0.427 121.658 121.223 0.015 0.000 2.362 222 L HA -0.109 4.280 4.340 0.081 0.000 0.219 222 L C 2.180 179.005 176.870 -0.074 0.000 1.134 222 L CA 1.309 56.162 54.840 0.021 0.000 0.807 222 L CB -0.091 42.039 42.059 0.118 0.000 0.927 222 L HN 0.589 nan 8.230 nan 0.000 0.447 223 S N -2.563 113.025 115.700 -0.188 0.000 2.603 223 S HA 0.041 4.560 4.470 0.081 0.000 0.232 223 S C 0.752 175.217 174.600 -0.225 0.000 1.016 223 S CA -0.490 57.453 58.200 -0.428 0.000 0.976 223 S CB -0.001 62.666 63.200 -0.888 0.000 0.921 223 S HN 0.153 nan 8.310 nan 0.000 0.516 224 K N 2.792 123.135 120.400 -0.095 0.000 2.366 224 K HA 0.022 4.391 4.320 0.081 0.000 0.279 224 K C -0.325 176.274 176.600 -0.002 0.000 1.098 224 K CA 0.316 56.582 56.287 -0.035 0.000 1.087 224 K CB -0.189 32.331 32.500 0.032 0.000 0.901 224 K HN 0.265 nan 8.250 nan 0.000 0.463 225 K N 2.471 122.843 120.400 -0.046 0.000 3.088 225 K HA -0.187 4.182 4.320 0.081 0.000 0.273 225 K C -0.255 176.379 176.600 0.056 0.000 1.111 225 K CA 0.710 56.983 56.287 -0.022 0.000 0.803 225 K CB -0.748 31.699 32.500 -0.089 0.000 1.226 225 K HN 0.586 nan 8.250 nan 0.000 0.485 226 M N 1.375 120.985 119.600 0.017 0.000 2.185 226 M HA 0.167 4.696 4.480 0.081 0.000 0.357 226 M C 0.652 177.003 176.300 0.085 0.000 1.260 226 M CA 0.869 56.210 55.300 0.068 0.000 1.124 226 M CB 0.721 33.293 32.600 -0.046 0.000 1.600 226 M HN 0.070 nan 8.290 nan 0.000 0.467 227 E N 0.803 121.131 120.200 0.213 0.000 2.390 227 E HA 0.707 5.106 4.350 0.081 0.000 0.249 227 E C 0.289 177.082 176.600 0.322 0.000 0.981 227 E CA -0.923 55.594 56.400 0.196 0.000 0.860 227 E CB 1.138 30.945 29.700 0.179 0.000 1.278 227 E HN 0.766 nan 8.360 nan 0.000 0.416 228 G N 0.686 109.558 108.800 0.120 0.000 2.535 228 G HA2 0.389 4.397 3.960 0.081 0.000 0.303 228 G HA3 0.389 4.397 3.960 0.081 0.000 0.303 228 G C -2.432 172.174 174.900 -0.489 0.000 1.237 228 G CA -1.089 43.966 45.100 -0.075 0.000 0.986 228 G HN 0.232 nan 8.290 nan 0.000 0.494 229 P HA 0.116 nan 4.420 nan 0.000 0.277 229 P C -0.637 176.285 177.300 -0.630 0.000 1.240 229 P CA -0.657 61.501 63.100 -1.570 0.000 0.798 229 P CB 1.069 31.654 31.700 -1.858 0.000 0.979 230 N N 1.821 120.169 118.700 -0.587 0.000 3.124 230 N HA 0.111 4.900 4.740 0.081 0.000 0.284 230 N C 1.203 176.604 175.510 -0.181 0.000 1.209 230 N CA -0.067 52.757 53.050 -0.377 0.000 1.149 230 N CB -0.941 37.318 38.487 -0.380 0.000 1.434 230 N HN 0.332 nan 8.380 nan 0.000 0.529 231 L N -0.472 120.670 121.223 -0.135 0.000 1.994 231 L HA -0.157 4.231 4.340 0.081 0.000 0.208 231 L C 2.173 179.116 176.870 0.121 0.000 1.071 231 L CA 1.056 55.881 54.840 -0.025 0.000 0.745 231 L CB -0.565 41.481 42.059 -0.021 0.000 0.892 231 L HN 0.367 nan 8.230 nan 0.000 0.431 232 S N -0.174 115.598 115.700 0.121 0.000 2.402 232 S HA -0.183 4.336 4.470 0.081 0.000 0.229 232 S C 1.747 176.403 174.600 0.093 0.000 1.021 232 S CA 1.536 59.828 58.200 0.153 0.000 0.974 232 S CB -0.318 62.984 63.200 0.170 0.000 0.800 232 S HN 0.437 nan 8.310 nan 0.000 0.484 233 N N 1.110 119.843 118.700 0.055 0.000 2.061 233 N HA -0.136 4.652 4.740 0.081 0.000 0.193 233 N C 1.778 177.334 175.510 0.077 0.000 1.030 233 N CA 2.223 55.295 53.050 0.036 0.000 0.856 233 N CB -0.472 38.005 38.487 -0.017 0.000 1.023 233 N HN 0.383 nan 8.380 nan 0.000 0.424 234 V N -1.366 118.630 119.914 0.135 0.000 2.548 234 V HA -0.030 4.139 4.120 0.081 0.000 0.249 234 V C 1.982 178.216 176.094 0.232 0.000 1.055 234 V CA 1.470 63.904 62.300 0.223 0.000 1.065 234 V CB -1.049 30.958 31.823 0.308 0.000 0.681 234 V HN 0.303 nan 8.190 nan 0.000 0.462 235 F N 1.625 121.591 119.950 0.027 0.000 2.134 235 F HA -0.067 4.509 4.527 0.080 0.000 0.299 235 F C 2.390 178.032 175.800 -0.264 0.000 1.097 235 F CA 2.392 60.164 58.000 -0.380 0.000 1.264 235 F CB -0.205 38.266 39.000 -0.883 0.000 1.001 235 F HN 0.089 nan 8.300 nan 0.000 0.479 236 K N -0.034 120.331 120.400 -0.059 0.000 2.032 236 K HA -0.195 4.173 4.320 0.081 0.000 0.209 236 K C 2.165 178.750 176.600 -0.025 0.000 1.048 236 K CA 1.971 58.239 56.287 -0.032 0.000 0.927 236 K CB -0.220 32.295 32.500 0.026 0.000 0.712 236 K HN 0.288 nan 8.250 nan 0.000 0.441 237 R N -0.165 120.338 120.500 0.004 0.000 2.093 237 R HA -0.018 4.371 4.340 0.081 0.000 0.224 237 R C 2.217 178.564 176.300 0.078 0.000 1.101 237 R CA 1.477 57.612 56.100 0.059 0.000 0.979 237 R CB -0.271 30.077 30.300 0.081 0.000 0.877 237 R HN 0.206 nan 8.270 nan 0.000 0.441 238 T N 1.020 115.579 114.554 0.007 0.000 2.978 238 T HA -0.065 4.334 4.350 0.081 0.000 0.262 238 T C 1.400 175.911 174.700 -0.315 0.000 1.063 238 T CA 0.650 62.752 62.100 0.003 0.000 1.140 238 T CB -0.238 68.761 68.868 0.218 0.000 0.886 238 T HN 0.187 nan 8.240 nan 0.000 0.470 239 F N 1.212 120.719 119.950 -0.738 0.000 2.095 239 F HA -0.173 4.404 4.527 0.082 0.000 0.298 239 F C 2.176 177.737 175.800 -0.397 0.000 1.104 239 F CA 1.130 58.622 58.000 -0.847 0.000 1.232 239 F CB -0.431 37.806 39.000 -1.272 0.000 0.987 239 F HN 0.172 nan 8.300 nan 0.000 0.475 240 Y N 1.297 121.354 120.300 -0.405 0.000 2.128 240 Y HA -0.289 4.311 4.550 0.083 0.000 0.284 240 Y C 2.533 178.297 175.900 -0.227 0.000 1.154 240 Y CA 2.281 60.202 58.100 -0.298 0.000 1.149 240 Y CB -0.641 37.799 38.460 -0.033 0.000 0.976 240 Y HN 0.209 nan 8.280 nan 0.000 0.505 241 Q N -0.345 119.379 119.800 -0.127 0.000 2.170 241 Q HA -0.211 4.177 4.340 0.081 0.000 0.203 241 Q C 2.315 178.137 176.000 -0.298 0.000 0.976 241 Q CA 1.785 57.544 55.803 -0.073 0.000 0.858 241 Q CB -0.153 28.742 28.738 0.262 0.000 0.907 241 Q HN 0.598 nan 8.270 nan 0.000 0.433 242 M N -0.014 119.148 119.600 -0.730 0.000 2.064 242 M HA -0.171 4.358 4.480 0.081 0.000 0.260 242 M C 2.432 178.166 176.300 -0.944 0.000 1.073 242 M CA 1.587 56.073 55.300 -1.357 0.000 1.124 242 M CB -0.394 31.434 32.600 -1.286 0.000 1.326 242 M HN 0.271 nan 8.290 nan 0.000 0.410 243 A N -0.698 121.672 122.820 -0.749 0.000 1.917 243 A HA -0.244 4.125 4.320 0.081 0.000 0.219 243 A C 1.982 179.340 177.584 -0.375 0.000 1.182 243 A CA 1.733 53.462 52.037 -0.513 0.000 0.633 243 A CB -1.112 17.477 19.000 -0.686 0.000 0.819 243 A HN 0.562 nan 8.150 nan 0.000 0.448 244 Y N 0.209 120.156 120.300 -0.587 0.000 2.153 244 Y HA -0.085 4.513 4.550 0.081 0.000 0.289 244 Y C 2.319 177.973 175.900 -0.411 0.000 1.127 244 Y CA 2.146 59.921 58.100 -0.542 0.000 1.131 244 Y CB -0.150 37.813 38.460 -0.829 0.000 0.995 244 Y HN 0.241 nan 8.280 nan 0.000 0.505 245 K N -1.006 119.293 120.400 -0.168 0.000 2.283 245 K HA -0.112 4.257 4.320 0.081 0.000 0.202 245 K C 1.679 178.337 176.600 0.097 0.000 1.048 245 K CA 0.857 57.135 56.287 -0.015 0.000 0.948 245 K CB -0.225 32.335 32.500 0.100 0.000 0.742 245 K HN 0.200 nan 8.250 nan 0.000 0.458 246 F N 0.854 120.799 119.950 -0.009 0.000 2.259 246 F HA -0.025 4.551 4.527 0.081 0.000 0.298 246 F C 2.370 178.122 175.800 -0.080 0.000 1.088 246 F CA 0.474 58.452 58.000 -0.037 0.000 1.358 246 F CB -0.877 38.066 39.000 -0.096 0.000 1.040 246 F HN -0.016 nan 8.300 nan 0.000 0.505 247 A N -0.575 122.271 122.820 0.043 0.000 2.014 247 A HA -0.060 4.309 4.320 0.081 0.000 0.218 247 A C 2.021 179.584 177.584 -0.035 0.000 1.163 247 A CA 0.975 52.976 52.037 -0.059 0.000 0.652 247 A CB -0.774 18.107 19.000 -0.198 0.000 0.808 247 A HN 0.237 nan 8.150 nan 0.000 0.449 248 L N -0.634 120.587 121.223 -0.004 0.000 2.291 248 L HA 0.026 4.415 4.340 0.081 0.000 0.214 248 L C 2.555 179.490 176.870 0.109 0.000 1.120 248 L CA 1.704 56.581 54.840 0.063 0.000 0.799 248 L CB -0.695 41.434 42.059 0.118 0.000 0.925 248 L HN 0.369 nan 8.230 nan 0.000 0.446 249 S N -0.684 115.076 115.700 0.100 0.000 2.481 249 S HA -0.050 4.469 4.470 0.081 0.000 0.231 249 S C 1.966 176.583 174.600 0.029 0.000 0.996 249 S CA 0.832 59.073 58.200 0.069 0.000 0.942 249 S CB -0.285 62.977 63.200 0.103 0.000 0.768 249 S HN 0.522 nan 8.310 nan 0.000 0.520 250 G N -0.231 108.590 108.800 0.035 0.000 2.708 250 G HA2 -0.065 3.943 3.960 0.081 0.000 0.210 250 G HA3 -0.065 3.943 3.960 0.081 0.000 0.210 250 G C 0.377 175.300 174.900 0.039 0.000 1.141 250 G CA -0.000 45.106 45.100 0.010 0.000 0.788 250 G HN 0.613 nan 8.290 nan 0.000 0.531 251 H N -0.635 118.425 119.070 -0.017 0.000 2.815 251 H HA 0.426 5.031 4.556 0.081 0.000 0.350 251 H C 1.797 177.102 175.328 -0.038 0.000 1.080 251 H CA 0.882 56.930 56.048 0.000 0.000 1.433 251 H CB 0.960 30.757 29.762 0.059 0.000 1.432 251 H HN 0.137 nan 8.280 nan 0.000 0.592 252 Q N 4.399 123.865 119.800 -0.558 0.000 2.096 252 Q HA -0.159 4.230 4.340 0.081 0.000 0.204 252 Q C 2.068 177.905 176.000 -0.271 0.000 0.982 252 Q CA 2.125 57.714 55.803 -0.357 0.000 0.850 252 Q CB -0.484 28.059 28.738 -0.325 0.000 0.901 252 Q HN 0.861 nan 8.270 nan 0.000 0.422 253 R N -1.360 118.962 120.500 -0.296 0.000 2.299 253 R HA 0.187 4.576 4.340 0.081 0.000 0.197 253 R C 0.442 176.530 176.300 -0.354 0.000 0.971 253 R CA 0.207 56.264 56.100 -0.071 0.000 1.030 253 R CB -0.328 30.103 30.300 0.218 0.000 0.932 253 R HN 0.546 nan 8.270 nan 0.000 0.477 254 C N 0.783 119.821 119.300 -0.437 0.000 2.246 254 C HA 0.480 4.989 4.460 0.081 0.000 0.329 254 C C 1.739 176.484 174.990 -0.410 0.000 1.221 254 C CA -0.680 57.873 59.018 -0.775 0.000 1.697 254 C CB 0.214 27.687 27.740 -0.446 0.000 2.312 254 C HN 0.536 nan 8.230 nan 0.000 0.509 255 A N 4.321 126.880 122.820 -0.435 0.000 1.968 255 A HA 0.494 4.862 4.320 0.081 0.000 0.217 255 A C 1.156 178.551 177.584 -0.315 0.000 1.169 255 A CA 1.114 52.940 52.037 -0.351 0.000 0.638 255 A CB -0.443 18.254 19.000 -0.505 0.000 0.812 255 A HN 1.785 nan 8.150 nan 0.000 0.446 256 G N -2.990 105.627 108.800 -0.304 0.000 2.386 256 G HA2 0.438 4.447 3.960 0.081 0.000 0.302 256 G HA3 0.438 4.447 3.960 0.081 0.000 0.302 256 G C -1.017 173.863 174.900 -0.033 0.000 1.629 256 G CA -0.148 44.881 45.100 -0.118 0.000 0.917 256 G HN 0.209 nan 8.290 nan 0.000 0.676 257 T N 0.303 114.946 114.554 0.150 0.000 2.807 257 T HA 0.777 5.175 4.350 0.081 0.000 0.279 257 T C 0.306 175.311 174.700 0.508 0.000 0.993 257 T CA 0.031 62.306 62.100 0.292 0.000 0.970 257 T CB 1.848 70.953 68.868 0.394 0.000 0.950 257 T HN 1.298 nan 8.240 nan 0.000 0.441 258 G N 1.557 110.649 108.800 0.487 0.000 2.617 258 G HA2 0.669 4.677 3.960 0.081 0.000 0.306 258 G HA3 0.669 4.677 3.960 0.081 0.000 0.306 258 G C -1.380 173.856 174.900 0.561 0.000 1.360 258 G CA -0.619 44.850 45.100 0.615 0.000 0.983 258 G HN 0.632 nan 8.290 nan 0.000 0.496 259 F N 1.765 121.982 119.950 0.445 0.000 2.385 259 F HA 0.547 5.123 4.527 0.081 0.000 0.360 259 F C 0.790 176.854 175.800 0.440 0.000 1.122 259 F CA -0.584 57.653 58.000 0.395 0.000 1.090 259 F CB 2.211 41.428 39.000 0.362 0.000 1.150 259 F HN 0.570 nan 8.300 nan 0.000 0.472 260 A N 6.667 129.797 122.820 0.516 0.000 2.269 260 A HA 0.745 5.113 4.320 0.081 0.000 0.302 260 A C -0.507 177.385 177.584 0.514 0.000 1.266 260 A CA -0.428 51.952 52.037 0.571 0.000 0.894 260 A CB -0.126 19.137 19.000 0.439 0.000 1.147 260 A HN 0.794 nan 8.150 nan 0.000 0.537 261 I N 0.076 120.805 120.570 0.266 0.000 2.769 261 I HA 0.689 4.907 4.170 0.081 0.000 0.298 261 I C -3.071 172.475 176.117 -0.953 0.000 1.128 261 I CA -3.011 58.197 61.300 -0.152 0.000 1.031 261 I CB 2.500 40.425 38.000 -0.125 0.000 1.235 261 I HN 0.229 nan 8.210 nan 0.000 0.423 262 P HA 0.045 nan 4.420 nan 0.000 0.272 262 P C 0.155 177.130 177.300 -0.542 0.000 1.230 262 P CA -0.230 62.223 63.100 -1.078 0.000 0.788 262 P CB 0.618 32.010 31.700 -0.513 0.000 0.949 263 Q N 1.682 121.239 119.800 -0.404 0.000 2.061 263 Q HA -0.190 4.198 4.340 0.081 0.000 0.204 263 Q C 1.742 177.629 176.000 -0.187 0.000 0.984 263 Q CA 2.921 58.612 55.803 -0.186 0.000 0.846 263 Q CB -0.647 27.924 28.738 -0.280 0.000 0.902 263 Q HN 0.576 nan 8.270 nan 0.000 0.421 264 S N -0.436 115.042 115.700 -0.369 0.000 2.370 264 S HA -0.130 4.389 4.470 0.081 0.000 0.226 264 S C 2.084 176.349 174.600 -0.557 0.000 1.033 264 S CA 1.649 59.403 58.200 -0.744 0.000 1.011 264 S CB -0.850 61.521 63.200 -1.382 0.000 0.852 264 S HN 0.231 nan 8.310 nan 0.000 0.457 265 V N 0.956 120.692 119.914 -0.298 0.000 2.358 265 V HA -0.109 4.060 4.120 0.081 0.000 0.246 265 V C 2.222 177.995 176.094 -0.535 0.000 1.047 265 V CA 1.668 63.827 62.300 -0.235 0.000 1.035 265 V CB -1.151 30.494 31.823 -0.298 0.000 0.658 265 V HN 0.737 nan 8.190 nan 0.000 0.452 266 W N 1.991 122.963 121.300 -0.547 0.000 2.335 266 W HA -0.299 4.411 4.660 0.083 0.000 0.311 266 W C 2.524 178.969 176.519 -0.123 0.000 1.213 266 W CA 2.687 59.824 57.345 -0.347 0.000 1.274 266 W CB -0.157 29.198 29.460 -0.174 0.000 1.148 266 W HN 0.304 nan 8.180 nan 0.000 0.498 267 K N 0.818 121.044 120.400 -0.291 0.000 2.097 267 K HA -0.206 4.163 4.320 0.081 0.000 0.206 267 K C 1.946 178.390 176.600 -0.261 0.000 1.049 267 K CA 2.347 58.439 56.287 -0.324 0.000 0.933 267 K CB -1.531 30.851 32.500 -0.197 0.000 0.717 267 K HN 0.449 nan 8.250 nan 0.000 0.442 268 S N -1.290 114.310 115.700 -0.167 0.000 2.481 268 S HA -0.098 4.421 4.470 0.081 0.000 0.231 268 S C 1.766 176.471 174.600 0.174 0.000 0.996 268 S CA 0.796 59.005 58.200 0.015 0.000 0.942 268 S CB -0.398 62.888 63.200 0.143 0.000 0.768 268 S HN 0.682 nan 8.310 nan 0.000 0.520 269 W N 1.600 122.811 121.300 -0.147 0.000 2.863 269 W HA 0.461 5.169 4.660 0.081 0.000 0.258 269 W C 1.788 178.101 176.519 -0.343 0.000 1.298 269 W CA -1.148 56.094 57.345 -0.172 0.000 1.451 269 W CB -0.829 28.633 29.460 0.003 0.000 1.107 269 W HN 0.304 nan 8.180 nan 0.000 0.641 270 L N 0.717 121.795 121.223 -0.241 0.000 2.042 270 L HA -0.251 4.138 4.340 0.081 0.000 0.210 270 L C 2.692 179.436 176.870 -0.210 0.000 1.076 270 L CA 2.006 56.659 54.840 -0.313 0.000 0.749 270 L CB -0.734 41.126 42.059 -0.332 0.000 0.893 270 L HN 0.019 nan 8.230 nan 0.000 0.432 271 R N -1.258 119.119 120.500 -0.205 0.000 2.115 271 R HA -0.140 4.249 4.340 0.081 0.000 0.230 271 R C 2.015 178.101 176.300 -0.357 0.000 1.111 271 R CA 1.144 57.093 56.100 -0.250 0.000 0.976 271 R CB -0.716 29.430 30.300 -0.256 0.000 0.870 271 R HN 0.420 nan 8.270 nan 0.000 0.445 272 H N 0.793 119.604 119.070 -0.433 0.000 2.491 272 H HA 0.078 4.683 4.556 0.080 0.000 0.290 272 H C 1.195 176.234 175.328 -0.481 0.000 1.050 272 H CA 1.011 56.635 56.048 -0.707 0.000 1.309 272 H CB 0.306 29.063 29.762 -1.675 0.000 1.392 272 H HN 0.228 nan 8.280 nan 0.000 0.554 273 L N 0.065 121.176 121.223 -0.187 0.000 2.928 273 L HA 0.303 4.692 4.340 0.081 0.000 0.246 273 L C 0.951 177.783 176.870 -0.062 0.000 1.239 273 L CA -0.109 54.695 54.840 -0.061 0.000 1.035 273 L CB 0.356 42.432 42.059 0.028 0.000 1.360 273 L HN 0.042 nan 8.230 nan 0.000 0.529 274 A N 0.806 123.561 122.820 -0.108 0.000 2.745 274 A HA -0.304 4.065 4.320 0.081 0.000 0.296 274 A C 0.783 178.327 177.584 -0.067 0.000 1.500 274 A CA 0.839 52.824 52.037 -0.087 0.000 0.766 274 A CB -2.171 16.794 19.000 -0.058 0.000 1.030 274 A HN 0.867 nan 8.150 nan 0.000 0.489 275 N N -2.058 116.590 118.700 -0.087 0.000 2.614 275 N HA -0.130 4.658 4.740 0.081 0.000 0.276 275 N C -1.735 173.757 175.510 -0.030 0.000 1.119 275 N CA 1.284 54.292 53.050 -0.071 0.000 0.742 275 N CB -0.554 37.897 38.487 -0.061 0.000 0.900 275 N HN 0.708 nan 8.380 nan 0.000 0.549 276 P HA 0.223 nan 4.420 nan 0.000 0.282 276 P C -0.671 176.667 177.300 0.063 0.000 1.249 276 P CA -0.175 62.950 63.100 0.041 0.000 0.806 276 P CB 0.954 32.707 31.700 0.089 0.000 0.984 277 T N 3.384 117.975 114.554 0.062 0.000 2.733 277 T HA 0.345 4.744 4.350 0.081 0.000 0.294 277 T C 0.494 175.252 174.700 0.096 0.000 0.956 277 T CA -0.377 61.765 62.100 0.069 0.000 0.987 277 T CB -0.015 68.885 68.868 0.052 0.000 0.920 277 T HN 0.191 nan 8.240 nan 0.000 0.470 278 L N 3.980 125.271 121.223 0.112 0.000 2.380 278 L HA 0.394 4.783 4.340 0.081 0.000 0.273 278 L C 0.376 177.366 176.870 0.200 0.000 1.138 278 L CA -0.539 54.391 54.840 0.149 0.000 0.832 278 L CB 0.279 42.390 42.059 0.087 0.000 1.124 278 L HN 0.510 nan 8.230 nan 0.000 0.454 279 I N 2.161 122.842 120.570 0.184 0.000 2.371 279 I HA 0.084 4.302 4.170 0.081 0.000 0.290 279 I C 0.244 176.464 176.117 0.172 0.000 1.028 279 I CA -0.178 61.206 61.300 0.140 0.000 1.345 279 I CB 0.788 38.820 38.000 0.053 0.000 1.407 279 I HN 0.531 nan 8.210 nan 0.000 0.501 280 D N 6.168 126.635 120.400 0.111 0.000 2.336 280 D HA 0.068 4.756 4.640 0.081 0.000 0.249 280 D C 0.555 176.756 176.300 -0.165 0.000 1.213 280 D CA -0.018 53.911 54.000 -0.119 0.000 0.870 280 D CB 0.776 41.553 40.800 -0.039 0.000 1.076 280 D HN 0.446 nan 8.370 nan 0.000 0.483 281 N N 2.312 120.861 118.700 -0.252 0.000 2.463 281 N HA 0.006 4.795 4.740 0.081 0.000 0.181 281 N C 1.237 176.659 175.510 -0.146 0.000 1.078 281 N CA 0.643 53.597 53.050 -0.160 0.000 0.902 281 N CB 0.330 38.733 38.487 -0.140 0.000 0.970 281 N HN 0.710 nan 8.380 nan 0.000 0.451 282 G N 2.323 111.005 108.800 -0.196 0.000 2.225 282 G HA2 -0.228 3.780 3.960 0.081 0.000 0.264 282 G HA3 -0.228 3.780 3.960 0.081 0.000 0.264 282 G C -0.289 174.543 174.900 -0.114 0.000 1.060 282 G CA 0.590 45.607 45.100 -0.139 0.000 0.833 282 G HN 0.535 nan 8.290 nan 0.000 0.498 283 D N -2.226 118.090 120.400 -0.140 0.000 2.712 283 D HA 0.405 5.094 4.640 0.081 0.000 0.300 283 D C 1.452 177.699 176.300 -0.087 0.000 1.521 283 D CA 0.355 54.303 54.000 -0.086 0.000 0.790 283 D CB -0.394 40.374 40.800 -0.054 0.000 1.155 283 D HN 1.430 nan 8.370 nan 0.000 0.456 284 G N -0.261 108.458 108.800 -0.135 0.000 2.196 284 G HA2 -0.269 3.740 3.960 0.081 0.000 0.268 284 G HA3 -0.269 3.740 3.960 0.081 0.000 0.268 284 G C 0.338 175.175 174.900 -0.105 0.000 0.975 284 G CA 0.845 45.881 45.100 -0.106 0.000 0.648 284 G HN 0.750 nan 8.290 nan 0.000 0.538 285 T N -0.722 113.726 114.554 -0.175 0.000 2.908 285 T HA 0.731 5.130 4.350 0.081 0.000 0.290 285 T C -0.735 173.782 174.700 -0.305 0.000 1.034 285 T CA -0.614 61.448 62.100 -0.064 0.000 1.010 285 T CB 0.996 69.948 68.868 0.139 0.000 1.068 285 T HN 0.222 nan 8.240 nan 0.000 0.481 286 F N 1.099 121.048 119.950 -0.001 0.000 2.575 286 F HA 0.727 5.303 4.527 0.082 0.000 0.330 286 F C 0.636 176.377 175.800 -0.098 0.000 1.056 286 F CA -0.714 57.261 58.000 -0.042 0.000 0.964 286 F CB 2.319 41.293 39.000 -0.045 0.000 1.258 286 F HN 0.412 nan 8.300 nan 0.000 0.484 287 S N 1.250 117.015 115.700 0.108 0.000 2.538 287 S HA 0.594 5.113 4.470 0.081 0.000 0.288 287 S C -1.669 172.936 174.600 0.008 0.000 1.108 287 S CA -0.494 57.686 58.200 -0.034 0.000 0.971 287 S CB 1.239 64.385 63.200 -0.089 0.000 1.041 287 S HN 0.514 nan 8.310 nan 0.000 0.483 288 L N 5.033 126.232 121.223 -0.040 0.000 2.321 288 L HA 0.715 5.103 4.340 0.081 0.000 0.272 288 L C 0.434 177.293 176.870 -0.018 0.000 1.050 288 L CA 1.154 56.004 54.840 0.018 0.000 0.893 288 L CB -0.087 42.011 42.059 0.064 0.000 1.272 288 L HN 0.983 nan 8.230 nan 0.000 0.435 289 G N 2.010 110.807 108.800 -0.004 0.000 2.757 289 G HA2 -0.035 3.974 3.960 0.081 0.000 0.638 289 G HA3 -0.035 3.974 3.960 0.081 0.000 0.638 289 G C -0.266 174.604 174.900 -0.050 0.000 1.344 289 G CA -0.390 44.697 45.100 -0.020 0.000 0.855 289 G HN 0.870 nan 8.290 nan 0.000 0.537 290 D N -0.493 119.878 120.400 -0.048 0.000 2.348 290 D HA 0.589 5.278 4.640 0.081 0.000 0.259 290 D C 1.647 177.894 176.300 -0.088 0.000 1.296 290 D CA 1.025 54.990 54.000 -0.059 0.000 0.931 290 D CB -0.170 40.604 40.800 -0.044 0.000 1.067 290 D HN 1.710 nan 8.370 nan 0.000 0.503 291 T N -2.786 111.700 114.554 -0.114 0.000 3.223 291 T HA 0.376 4.775 4.350 0.081 0.000 0.259 291 T C 1.922 176.547 174.700 -0.125 0.000 1.015 291 T CA 0.589 62.597 62.100 -0.152 0.000 0.908 291 T CB 0.414 69.143 68.868 -0.231 0.000 1.054 291 T HN 0.487 nan 8.240 nan 0.000 0.567 292 R N 0.359 120.804 120.500 -0.090 0.000 2.307 292 R HA 0.461 4.849 4.340 0.081 0.000 0.199 292 R C 0.873 177.135 176.300 -0.064 0.000 1.000 292 R CA 1.022 57.079 56.100 -0.071 0.000 1.023 292 R CB -1.612 28.656 30.300 -0.054 0.000 0.908 292 R HN 0.898 nan 8.270 nan 0.000 0.473 293 N N -2.247 116.411 118.700 -0.069 0.000 2.396 293 N HA 0.463 5.251 4.740 0.081 0.000 0.275 293 N C 0.174 175.643 175.510 -0.068 0.000 1.218 293 N CA 0.477 53.492 53.050 -0.060 0.000 0.812 293 N CB 0.864 39.322 38.487 -0.047 0.000 1.592 293 N HN 1.058 nan 8.380 nan 0.000 0.480 294 D N -1.281 119.083 120.400 -0.060 0.000 2.740 294 D HA 0.361 5.050 4.640 0.081 0.000 0.231 294 D C 0.597 176.848 176.300 -0.082 0.000 1.194 294 D CA 1.636 55.599 54.000 -0.062 0.000 0.673 294 D CB -2.002 38.767 40.800 -0.053 0.000 0.995 294 D HN 1.975 nan 8.370 nan 0.000 0.411 295 S N 0.258 115.901 115.700 -0.094 0.000 2.554 295 S HA 0.599 5.118 4.470 0.081 0.000 0.278 295 S C 1.005 175.534 174.600 -0.119 0.000 1.242 295 S CA 0.179 58.302 58.200 -0.128 0.000 1.051 295 S CB 0.669 63.781 63.200 -0.147 0.000 0.986 295 S HN 0.714 nan 8.310 nan 0.000 0.502 296 E N 1.681 121.795 120.200 -0.144 0.000 2.499 296 E HA 0.082 4.481 4.350 0.081 0.000 0.207 296 E C -0.281 176.237 176.600 -0.136 0.000 1.034 296 E CA -0.722 55.608 56.400 -0.117 0.000 1.098 296 E CB -0.867 28.780 29.700 -0.089 0.000 1.148 296 E HN 0.635 nan 8.360 nan 0.000 0.447 297 N N 1.261 119.864 118.700 -0.162 0.000 2.699 297 N HA -0.224 4.565 4.740 0.081 0.000 0.256 297 N C -1.041 174.373 175.510 -0.160 0.000 0.993 297 N CA 0.890 53.868 53.050 -0.121 0.000 0.759 297 N CB -1.009 37.489 38.487 0.017 0.000 0.906 297 N HN 0.546 nan 8.380 nan 0.000 0.541 298 A N 0.221 122.753 122.820 -0.479 0.000 2.301 298 A HA 0.632 5.001 4.320 0.081 0.000 0.298 298 A C -0.400 176.680 177.584 -0.840 0.000 1.185 298 A CA -0.319 51.300 52.037 -0.697 0.000 0.830 298 A CB 0.494 18.740 19.000 -1.257 0.000 1.112 298 A HN 0.401 nan 8.150 nan 0.000 0.508 299 W N 1.154 122.203 121.300 -0.418 0.000 2.936 299 W HA 0.643 5.351 4.660 0.081 0.000 0.338 299 W C -0.605 175.761 176.519 -0.254 0.000 1.121 299 W CA -0.343 56.732 57.345 -0.449 0.000 1.209 299 W CB 1.783 30.805 29.460 -0.729 0.000 1.420 299 W HN 0.421 nan 8.180 nan 0.000 0.516 300 I N 3.250 123.763 120.570 -0.094 0.000 2.411 300 I HA 0.278 4.496 4.170 0.081 0.000 0.284 300 I C -1.151 174.876 176.117 -0.150 0.000 1.012 300 I CA -0.871 60.439 61.300 0.017 0.000 1.119 300 I CB 0.747 38.787 38.000 0.067 0.000 1.261 300 I HN 0.152 nan 8.210 nan 0.000 0.448 301 F N 6.218 126.333 119.950 0.275 0.000 2.335 301 F HA 0.305 4.881 4.527 0.081 0.000 0.365 301 F C 0.309 176.258 175.800 0.247 0.000 1.122 301 F CA -0.740 57.413 58.000 0.254 0.000 1.151 301 F CB 0.709 39.885 39.000 0.294 0.000 1.282 301 F HN 0.059 nan 8.300 nan 0.000 0.513 302 V N 5.596 125.630 119.914 0.200 0.000 2.432 302 V HA 0.240 4.409 4.120 0.081 0.000 0.271 302 V C 0.026 176.236 176.094 0.194 0.000 1.046 302 V CA -0.565 61.753 62.300 0.030 0.000 0.945 302 V CB -0.221 31.488 31.823 -0.191 0.000 0.992 302 V HN 0.511 nan 8.190 nan 0.000 0.471 303 F N 2.445 122.447 119.950 0.086 0.000 2.575 303 F HA 0.873 5.449 4.527 0.082 0.000 0.330 303 F C -0.095 175.664 175.800 -0.069 0.000 1.056 303 F CA -1.286 56.707 58.000 -0.011 0.000 0.964 303 F CB 1.235 39.987 39.000 -0.414 0.000 1.258 303 F HN 0.371 nan 8.300 nan 0.000 0.484 304 E N 0.958 121.278 120.200 0.200 0.000 2.281 304 E HA 0.484 4.883 4.350 0.081 0.000 0.262 304 E C -1.344 175.323 176.600 0.112 0.000 0.933 304 E CA -1.137 55.300 56.400 0.062 0.000 0.809 304 E CB 2.555 32.247 29.700 -0.014 0.000 1.242 304 E HN 0.605 nan 8.360 nan 0.000 0.418 305 L N 2.337 123.590 121.223 0.049 0.000 2.295 305 L HA 0.113 4.502 4.340 0.081 0.000 0.288 305 L C 0.120 177.001 176.870 0.018 0.000 1.079 305 L CA -0.522 54.334 54.840 0.028 0.000 0.830 305 L CB 0.049 42.123 42.059 0.025 0.000 1.200 305 L HN 0.447 nan 8.230 nan 0.000 0.438 306 D N 6.829 127.243 120.400 0.023 0.000 2.819 306 D HA -0.070 4.619 4.640 0.081 0.000 0.236 306 D C -1.533 174.782 176.300 0.025 0.000 1.181 306 D CA -0.655 53.364 54.000 0.032 0.000 0.855 306 D CB 0.993 41.815 40.800 0.038 0.000 1.146 306 D HN 0.281 nan 8.370 nan 0.000 0.540 307 P HA 0.154 nan 4.420 nan 0.000 0.261 307 P C -0.105 177.201 177.300 0.011 0.000 1.352 307 P CA 0.101 63.204 63.100 0.006 0.000 0.891 307 P CB 0.644 32.338 31.700 -0.010 0.000 1.383 308 D N -2.009 118.403 120.400 0.021 0.000 2.479 308 D HA -0.013 4.676 4.640 0.081 0.000 0.221 308 D C 1.666 177.981 176.300 0.025 0.000 1.104 308 D CA 0.592 54.604 54.000 0.021 0.000 0.849 308 D CB -0.160 40.655 40.800 0.025 0.000 1.072 308 D HN 0.032 nan 8.370 nan 0.000 0.502 309 T N 0.047 114.620 114.554 0.031 0.000 2.777 309 T HA -0.128 4.271 4.350 0.081 0.000 0.266 309 T C 0.527 175.249 174.700 0.037 0.000 1.040 309 T CA 1.615 63.736 62.100 0.036 0.000 1.141 309 T CB 0.038 68.932 68.868 0.044 0.000 0.868 309 T HN -0.047 nan 8.240 nan 0.000 0.444 310 D N -0.191 120.232 120.400 0.039 0.000 2.705 310 D HA -0.146 4.542 4.640 0.081 0.000 0.187 310 D C 0.403 176.735 176.300 0.054 0.000 1.015 310 D CA 1.088 55.112 54.000 0.040 0.000 1.030 310 D CB -1.780 39.038 40.800 0.029 0.000 1.100 310 D HN 0.725 nan 8.370 nan 0.000 0.439 311 A N 0.590 123.447 122.820 0.061 0.000 2.466 311 A HA 0.405 4.774 4.320 0.081 0.000 0.238 311 A C 1.667 179.318 177.584 0.112 0.000 1.074 311 A CA 0.822 52.904 52.037 0.075 0.000 0.774 311 A CB 0.522 19.564 19.000 0.071 0.000 1.015 311 A HN 0.107 nan 8.150 nan 0.000 0.498 312 S N 1.420 117.200 115.700 0.134 0.000 2.414 312 S HA -0.095 4.423 4.470 0.081 0.000 0.225 312 S C -1.585 173.216 174.600 0.335 0.000 1.041 312 S CA 1.742 60.079 58.200 0.228 0.000 1.114 312 S CB -1.449 61.891 63.200 0.234 0.000 1.064 312 S HN 0.801 nan 8.310 nan 0.000 0.420 313 P HA 0.373 nan 4.420 nan 0.000 0.297 313 P C -1.050 176.347 177.300 0.161 0.000 1.319 313 P CA -0.343 62.826 63.100 0.114 0.000 0.810 313 P CB 0.461 32.129 31.700 -0.053 0.000 0.947 314 R N 4.998 125.587 120.500 0.150 0.000 2.446 314 R HA 0.164 4.553 4.340 0.081 0.000 0.314 314 R C -1.712 174.641 176.300 0.088 0.000 1.003 314 R CA -1.006 55.156 56.100 0.104 0.000 1.018 314 R CB -0.462 29.885 30.300 0.078 0.000 0.945 314 R HN 0.454 nan 8.270 nan 0.000 0.419 315 P HA 0.085 nan 4.420 nan 0.000 0.277 315 P C -0.352 176.909 177.300 -0.066 0.000 1.271 315 P CA -0.438 62.671 63.100 0.016 0.000 0.795 315 P CB 0.723 32.446 31.700 0.038 0.000 1.101 316 L N 0.088 121.197 121.223 -0.190 0.000 2.380 316 L HA 0.498 4.887 4.340 0.081 0.000 0.273 316 L C 0.704 177.504 176.870 -0.117 0.000 1.138 316 L CA -0.421 54.199 54.840 -0.366 0.000 0.832 316 L CB 0.374 41.818 42.059 -1.024 0.000 1.124 316 L HN 0.428 nan 8.230 nan 0.000 0.454 317 A N 4.951 127.762 122.820 -0.014 0.000 2.386 317 A HA 0.798 5.166 4.320 0.081 0.000 0.311 317 A C -2.609 175.174 177.584 0.331 0.000 1.068 317 A CA -1.741 50.404 52.037 0.179 0.000 0.743 317 A CB 1.449 20.522 19.000 0.122 0.000 1.258 317 A HN 0.405 nan 8.150 nan 0.000 0.429 318 P HA 0.216 nan 4.420 nan 0.000 0.268 318 P C -0.112 177.387 177.300 0.333 0.000 1.205 318 P CA 0.606 63.981 63.100 0.459 0.000 0.771 318 P CB 0.663 32.509 31.700 0.244 0.000 0.858 319 H N 2.612 121.805 119.070 0.205 0.000 2.545 319 H HA 0.453 5.058 4.556 0.081 0.000 0.251 319 H C -0.736 174.648 175.328 0.094 0.000 0.934 319 H CA 0.549 56.666 56.048 0.115 0.000 1.116 319 H CB 0.352 30.153 29.762 0.065 0.000 1.439 319 H HN 0.179 nan 8.280 nan 0.000 0.445 320 L N 1.687 122.907 121.223 -0.004 0.000 2.543 320 L HA 0.346 4.735 4.340 0.081 0.000 0.265 320 L C -1.583 175.321 176.870 0.057 0.000 0.945 320 L CA -0.395 54.386 54.840 -0.098 0.000 0.869 320 L CB 2.227 44.082 42.059 -0.340 0.000 1.294 320 L HN 0.200 nan 8.230 nan 0.000 0.405 321 E N 5.853 126.147 120.200 0.157 0.000 2.149 321 E HA 0.480 4.879 4.350 0.081 0.000 0.255 321 E C -1.080 175.662 176.600 0.238 0.000 0.888 321 E CA -0.295 56.237 56.400 0.220 0.000 0.742 321 E CB 1.660 31.516 29.700 0.259 0.000 1.164 321 E HN 0.424 nan 8.360 nan 0.000 0.422 322 I N 2.716 123.329 120.570 0.073 0.000 2.362 322 I HA 0.323 4.542 4.170 0.081 0.000 0.289 322 I C 0.234 176.178 176.117 -0.287 0.000 0.994 322 I CA -0.661 60.596 61.300 -0.073 0.000 1.158 322 I CB 1.407 39.275 38.000 -0.220 0.000 1.315 322 I HN 0.182 nan 8.210 nan 0.000 0.451 323 R N 6.198 126.345 120.500 -0.589 0.000 2.221 323 R HA 0.536 4.925 4.340 0.081 0.000 0.327 323 R C -0.837 175.094 176.300 -0.615 0.000 1.033 323 R CA -0.477 54.964 56.100 -1.097 0.000 0.887 323 R CB 1.116 30.669 30.300 -1.245 0.000 1.057 323 R HN 0.583 nan 8.270 nan 0.000 0.455 324 V N 2.084 121.621 119.914 -0.628 0.000 2.483 324 V HA 0.424 4.593 4.120 0.081 0.000 0.295 324 V C -0.360 175.500 176.094 -0.390 0.000 1.035 324 V CA -1.205 60.848 62.300 -0.411 0.000 0.896 324 V CB 1.685 33.305 31.823 -0.338 0.000 0.986 324 V HN 0.679 nan 8.190 nan 0.000 0.447 325 N N 3.182 121.743 118.700 -0.231 0.000 2.422 325 N HA 0.278 5.066 4.740 0.081 0.000 0.264 325 N C 0.731 176.171 175.510 -0.117 0.000 1.063 325 N CA -0.149 52.797 53.050 -0.172 0.000 0.959 325 N CB 1.737 40.158 38.487 -0.110 0.000 1.087 325 N HN 0.586 nan 8.380 nan 0.000 0.483 326 V N 3.030 122.873 119.914 -0.118 0.000 2.358 326 V HA -0.164 4.005 4.120 0.081 0.000 0.246 326 V C 1.420 177.511 176.094 -0.004 0.000 1.047 326 V CA 1.460 63.735 62.300 -0.042 0.000 1.035 326 V CB -0.391 31.413 31.823 -0.031 0.000 0.658 326 V HN 0.595 nan 8.190 nan 0.000 0.452 327 D N 0.110 120.499 120.400 -0.018 0.000 2.178 327 D HA -0.116 4.572 4.640 0.081 0.000 0.201 327 D C 2.309 178.624 176.300 0.026 0.000 0.980 327 D CA 1.693 55.695 54.000 0.003 0.000 0.842 327 D CB -0.314 40.479 40.800 -0.011 0.000 0.948 327 D HN 0.410 nan 8.370 nan 0.000 0.472 328 T N 1.018 115.581 114.554 0.015 0.000 2.708 328 T HA -0.136 4.263 4.350 0.081 0.000 0.266 328 T C 1.971 176.718 174.700 0.079 0.000 1.037 328 T CA 0.547 62.667 62.100 0.034 0.000 1.146 328 T CB -0.360 68.516 68.868 0.014 0.000 0.865 328 T HN 0.058 nan 8.240 nan 0.000 0.435 329 L N 0.866 122.147 121.223 0.097 0.000 2.042 329 L HA -0.018 4.371 4.340 0.081 0.000 0.210 329 L C 2.160 179.193 176.870 0.271 0.000 1.076 329 L CA 1.572 56.521 54.840 0.183 0.000 0.749 329 L CB -0.529 41.637 42.059 0.178 0.000 0.893 329 L HN 0.259 nan 8.230 nan 0.000 0.432 330 I N -0.496 120.206 120.570 0.220 0.000 2.179 330 I HA -0.286 3.933 4.170 0.081 0.000 0.242 330 I C 2.198 178.429 176.117 0.190 0.000 1.088 330 I CA 1.737 63.204 61.300 0.279 0.000 1.357 330 I CB -0.445 37.648 38.000 0.155 0.000 1.051 330 I HN 0.346 nan 8.210 nan 0.000 0.409 331 D N 0.816 121.284 120.400 0.113 0.000 2.144 331 D HA -0.155 4.534 4.640 0.081 0.000 0.199 331 D C 2.235 178.569 176.300 0.056 0.000 0.984 331 D CA 1.248 55.289 54.000 0.069 0.000 0.834 331 D CB 0.001 40.828 40.800 0.045 0.000 0.955 331 D HN 0.214 nan 8.370 nan 0.000 0.465 332 L N -0.186 121.079 121.223 0.071 0.000 2.056 332 L HA -0.076 4.313 4.340 0.081 0.000 0.207 332 L C 2.492 179.372 176.870 0.016 0.000 1.078 332 L CA 1.265 56.134 54.840 0.047 0.000 0.749 332 L CB -0.372 41.731 42.059 0.073 0.000 0.901 332 L HN 0.084 nan 8.230 nan 0.000 0.433 333 A N -0.596 122.243 122.820 0.031 0.000 1.930 333 A HA 0.006 4.374 4.320 0.081 0.000 0.215 333 A C 2.004 179.521 177.584 -0.111 0.000 1.176 333 A CA 0.999 52.990 52.037 -0.076 0.000 0.632 333 A CB -0.247 18.624 19.000 -0.215 0.000 0.819 333 A HN 0.391 nan 8.150 nan 0.000 0.445 334 L N -2.478 118.719 121.223 -0.044 0.000 2.664 334 L HA 0.267 4.655 4.340 0.081 0.000 0.233 334 L C 2.278 179.144 176.870 -0.008 0.000 1.113 334 L CA 0.135 54.961 54.840 -0.024 0.000 0.896 334 L CB 0.087 42.171 42.059 0.042 0.000 1.163 334 L HN 0.268 nan 8.230 nan 0.000 0.497 335 R N -1.038 119.460 120.500 -0.004 0.000 2.756 335 R HA 0.101 4.490 4.340 0.081 0.000 0.170 335 R C 1.743 178.033 176.300 -0.016 0.000 0.800 335 R CA -0.242 55.855 56.100 -0.005 0.000 1.052 335 R CB 0.334 30.640 30.300 0.010 0.000 1.437 335 R HN 0.024 nan 8.270 nan 0.000 0.607 336 E N 1.095 121.287 120.200 -0.013 0.000 2.051 336 E HA -0.148 4.251 4.350 0.081 0.000 0.192 336 E C 1.813 178.388 176.600 -0.041 0.000 0.991 336 E CA 1.401 57.788 56.400 -0.021 0.000 0.799 336 E CB -0.106 29.587 29.700 -0.011 0.000 0.748 336 E HN 0.065 nan 8.360 nan 0.000 0.449 337 S N 0.421 116.086 115.700 -0.058 0.000 2.356 337 S HA -0.079 4.439 4.470 0.081 0.000 0.223 337 S C -0.892 173.655 174.600 -0.089 0.000 1.032 337 S CA 1.158 59.303 58.200 -0.090 0.000 1.005 337 S CB -0.803 62.319 63.200 -0.130 0.000 0.867 337 S HN 0.028 nan 8.310 nan 0.000 0.449 338 P HA -0.059 nan 4.420 nan 0.000 0.216 338 P C 1.310 178.574 177.300 -0.059 0.000 1.150 338 P CA 1.127 64.184 63.100 -0.072 0.000 0.837 338 P CB -0.081 31.584 31.700 -0.058 0.000 0.786 339 R N -0.584 119.888 120.500 -0.047 0.000 2.115 339 R HA -0.006 4.382 4.340 0.081 0.000 0.230 339 R C 2.182 178.458 176.300 -0.040 0.000 1.111 339 R CA 1.420 57.498 56.100 -0.037 0.000 0.976 339 R CB -0.913 29.370 30.300 -0.027 0.000 0.870 339 R HN 0.170 nan 8.270 nan 0.000 0.445 340 A N 1.176 123.967 122.820 -0.048 0.000 1.929 340 A HA -0.012 4.357 4.320 0.081 0.000 0.216 340 A C 2.329 179.880 177.584 -0.055 0.000 1.176 340 A CA 1.396 53.403 52.037 -0.050 0.000 0.628 340 A CB -0.359 18.606 19.000 -0.059 0.000 0.816 340 A HN 0.348 nan 8.150 nan 0.000 0.444 341 A N -0.425 122.354 122.820 -0.068 0.000 1.969 341 A HA 0.087 4.456 4.320 0.081 0.000 0.218 341 A C 1.776 179.326 177.584 -0.056 0.000 1.169 341 A CA 1.113 53.108 52.037 -0.070 0.000 0.635 341 A CB -0.443 18.502 19.000 -0.090 0.000 0.810 341 A HN 0.443 nan 8.150 nan 0.000 0.445 342 L N 0.141 121.335 121.223 -0.050 0.000 2.645 342 L HA 0.168 4.557 4.340 0.081 0.000 0.234 342 L C 1.429 178.283 176.870 -0.027 0.000 1.165 342 L CA -0.366 54.452 54.840 -0.038 0.000 0.944 342 L CB -0.429 41.608 42.059 -0.037 0.000 1.149 342 L HN 0.399 nan 8.230 nan 0.000 0.446 343 G N 0.266 109.049 108.800 -0.029 0.000 2.634 343 G HA2 0.165 4.174 3.960 0.081 0.000 0.255 343 G HA3 0.165 4.174 3.960 0.081 0.000 0.255 343 G C -1.652 173.239 174.900 -0.016 0.000 1.205 343 G CA -0.763 44.323 45.100 -0.023 0.000 0.884 343 G HN 0.027 nan 8.290 nan 0.000 0.549 344 P HA -0.092 nan 4.420 nan 0.000 0.216 344 P C 1.702 178.998 177.300 -0.008 0.000 1.150 344 P CA 1.987 65.081 63.100 -0.009 0.000 0.837 344 P CB 0.245 31.939 31.700 -0.009 0.000 0.786 345 S N -2.548 113.146 115.700 -0.011 0.000 2.650 345 S HA 0.358 4.876 4.470 0.081 0.000 0.240 345 S C 1.053 175.646 174.600 -0.011 0.000 1.007 345 S CA -0.278 57.916 58.200 -0.009 0.000 0.984 345 S CB -0.626 62.568 63.200 -0.011 0.000 0.910 345 S HN 0.121 nan 8.310 nan 0.000 0.509 346 G N 2.432 111.224 108.800 -0.013 0.000 2.631 346 G HA2 0.398 4.406 3.960 0.081 0.000 0.271 346 G HA3 0.398 4.406 3.960 0.081 0.000 0.271 346 G C -1.527 173.369 174.900 -0.006 0.000 1.302 346 G CA -1.057 44.032 45.100 -0.018 0.000 1.002 346 G HN 0.266 nan 8.290 nan 0.000 0.519 347 P HA -0.007 nan 4.420 nan 0.000 0.220 347 P C 1.803 179.134 177.300 0.052 0.000 1.152 347 P CA 0.308 63.418 63.100 0.016 0.000 0.812 347 P CB 0.106 31.803 31.700 -0.006 0.000 0.792 348 V N 0.059 119.980 119.914 0.012 0.000 2.719 348 V HA -0.100 4.069 4.120 0.081 0.000 0.252 348 V C 2.471 178.609 176.094 0.074 0.000 1.065 348 V CA 1.660 63.969 62.300 0.015 0.000 1.086 348 V CB -1.721 30.064 31.823 -0.064 0.000 0.700 348 V HN 0.078 nan 8.190 nan 0.000 0.467 349 A N 1.147 123.994 122.820 0.045 0.000 1.972 349 A HA -0.179 4.189 4.320 0.081 0.000 0.219 349 A C 2.286 179.904 177.584 0.057 0.000 1.169 349 A CA 2.254 54.315 52.037 0.041 0.000 0.635 349 A CB -0.675 18.336 19.000 0.017 0.000 0.810 349 A HN 0.618 nan 8.150 nan 0.000 0.446 350 T N -4.445 110.151 114.554 0.069 0.000 3.069 350 T HA 0.167 4.566 4.350 0.081 0.000 0.252 350 T C 1.240 175.985 174.700 0.075 0.000 1.053 350 T CA 0.359 62.490 62.100 0.051 0.000 0.964 350 T CB -0.346 68.537 68.868 0.025 0.000 1.005 350 T HN 0.249 nan 8.240 nan 0.000 0.532 351 F N 2.647 122.585 119.950 -0.019 0.000 2.186 351 F HA -0.034 4.535 4.527 0.069 0.000 0.299 351 F C 2.505 178.297 175.800 -0.013 0.000 1.090 351 F CA 1.541 59.532 58.000 -0.016 0.000 1.307 351 F CB -0.601 38.390 39.000 -0.015 0.000 1.019 351 F HN 0.229 nan 8.300 nan 0.000 0.489 352 T N -0.628 113.940 114.554 0.022 0.000 2.759 352 T HA -0.206 4.193 4.350 0.081 0.000 0.269 352 T C 1.734 176.351 174.700 -0.139 0.000 1.042 352 T CA 2.110 64.173 62.100 -0.061 0.000 1.140 352 T CB -0.513 68.368 68.868 0.023 0.000 0.864 352 T HN 0.352 nan 8.240 nan 0.000 0.455 353 D N 0.403 120.738 120.400 -0.109 0.000 2.183 353 D HA -0.016 4.673 4.640 0.081 0.000 0.203 353 D C 2.216 178.422 176.300 -0.157 0.000 0.969 353 D CA 0.889 54.823 54.000 -0.110 0.000 0.842 353 D CB -0.074 40.684 40.800 -0.071 0.000 0.957 353 D HN 0.458 nan 8.370 nan 0.000 0.484 354 K N 0.540 120.809 120.400 -0.218 0.000 2.057 354 K HA -0.073 4.296 4.320 0.081 0.000 0.206 354 K C 2.213 178.632 176.600 -0.302 0.000 1.050 354 K CA 0.481 56.615 56.287 -0.254 0.000 0.935 354 K CB 0.038 32.368 32.500 -0.283 0.000 0.715 354 K HN -0.062 nan 8.250 nan 0.000 0.439 355 V N 1.575 121.229 119.914 -0.433 0.000 2.343 355 V HA -0.254 3.915 4.120 0.081 0.000 0.247 355 V C 1.865 177.868 176.094 -0.152 0.000 1.051 355 V CA 1.840 63.952 62.300 -0.313 0.000 1.036 355 V CB -0.416 31.210 31.823 -0.329 0.000 0.654 355 V HN 0.335 nan 8.190 nan 0.000 0.451 356 E N 0.271 120.383 120.200 -0.148 0.000 2.106 356 E HA -0.149 4.249 4.350 0.081 0.000 0.192 356 E C 2.308 178.833 176.600 -0.124 0.000 0.984 356 E CA 1.216 57.544 56.400 -0.119 0.000 0.806 356 E CB -0.335 29.292 29.700 -0.121 0.000 0.750 356 E HN 0.609 nan 8.360 nan 0.000 0.458 357 A N 1.405 124.149 122.820 -0.125 0.000 1.898 357 A HA -0.144 4.225 4.320 0.081 0.000 0.216 357 A C 2.047 179.578 177.584 -0.088 0.000 1.181 357 A CA 0.993 52.962 52.037 -0.113 0.000 0.620 357 A CB -0.188 18.747 19.000 -0.108 0.000 0.819 357 A HN 0.012 nan 8.150 nan 0.000 0.442 358 R N -0.849 119.607 120.500 -0.073 0.000 2.115 358 R HA 0.021 4.410 4.340 0.081 0.000 0.230 358 R C 2.082 178.436 176.300 0.090 0.000 1.111 358 R CA 1.356 57.438 56.100 -0.030 0.000 0.976 358 R CB -0.615 29.674 30.300 -0.018 0.000 0.870 358 R HN 0.627 nan 8.270 nan 0.000 0.445 359 M N 0.043 119.722 119.600 0.131 0.000 2.132 359 M HA -0.145 4.384 4.480 0.081 0.000 0.263 359 M C 2.118 178.625 176.300 0.346 0.000 1.065 359 M CA 1.142 56.630 55.300 0.313 0.000 1.122 359 M CB -0.308 32.395 32.600 0.172 0.000 1.365 359 M HN 0.010 nan 8.290 nan 0.000 0.411 360 L N 0.493 121.725 121.223 0.014 0.000 2.265 360 L HA -0.135 4.254 4.340 0.081 0.000 0.215 360 L C 2.338 179.268 176.870 0.098 0.000 1.117 360 L CA 1.647 56.414 54.840 -0.122 0.000 0.782 360 L CB -0.429 41.478 42.059 -0.254 0.000 0.914 360 L HN 0.150 nan 8.230 nan 0.000 0.441 361 R N -1.413 119.094 120.500 0.012 0.000 2.152 361 R HA -0.127 4.262 4.340 0.081 0.000 0.232 361 R C 1.920 178.162 176.300 -0.096 0.000 1.117 361 R CA 1.315 57.343 56.100 -0.119 0.000 0.981 361 R CB -0.477 29.637 30.300 -0.309 0.000 0.870 361 R HN 0.358 nan 8.270 nan 0.000 0.451 362 F N -0.710 119.387 119.950 0.245 0.000 2.661 362 F HA -0.002 4.539 4.527 0.022 0.000 0.298 362 F C 1.274 177.173 175.800 0.166 0.000 1.137 362 F CA -0.113 57.993 58.000 0.176 0.000 1.454 362 F CB -0.085 38.988 39.000 0.122 0.000 1.103 362 F HN 0.016 nan 8.300 nan 0.000 0.577 363 W N 4.013 125.385 121.300 0.121 0.000 2.210 363 W HA 0.123 4.821 4.660 0.064 0.000 0.330 363 W C -1.648 174.892 176.519 0.035 0.000 1.334 363 W CA -1.593 55.791 57.345 0.067 0.000 1.227 363 W CB 0.161 29.645 29.460 0.039 0.000 1.178 363 W HN -0.136 nan 8.180 nan 0.000 0.560 364 P HA 0.204 nan 4.420 nan 0.000 0.274 364 P C -0.000 177.360 177.300 0.100 0.000 1.246 364 P CA 0.092 63.242 63.100 0.083 0.000 0.795 364 P CB 0.662 32.377 31.700 0.026 0.000 1.006 365 K N 0.000 120.437 120.400 0.062 0.000 2.780 365 K HA 0.000 4.369 4.320 0.081 0.000 0.191 365 K CA 0.000 56.317 56.287 0.050 0.000 0.838 365 K CB 0.000 32.528 32.500 0.046 0.000 1.064 365 K HN 0.000 nan 8.250 nan 0.000 0.543