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 1odl_1_E DATA FIRST_RESID 2 DATA SEQUENCE SPIHVRAHPG DVAERVLLPG DPGRAEWIAK TFLQNPRRYN DHRGLWGYTG DATA SEQUENCE LYKGVPVSVQ TTGMGTPSAA IVVEELVRLG ARVLVRVGTA GAASSDLAPG DATA SEQUENCE ELIVAQGAVP LDGTTRQYLE GRPYAPVPDP EVFRALWRRA EALGYPHRVG DATA SEQUENCE LVASEDAFYA TTPEEARAWA RYGVLAFEME ASALFLLGRM RGVRTGAILA DATA SEQUENCE VSNRIGDPEL APPEVLQEGV RRMVEVALEA VLEV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.602 174.600 0.004 0.000 1.055 2 S CA 0.000 58.209 58.200 0.015 0.000 1.107 2 S CB 0.000 63.211 63.200 0.018 0.000 0.593 3 P HA 0.314 nan 4.420 nan 0.000 0.269 3 P C 1.021 178.323 177.300 0.004 0.000 1.217 3 P CA -0.420 62.700 63.100 0.034 0.000 0.783 3 P CB 0.364 32.108 31.700 0.073 0.000 0.898 4 I N 0.147 120.701 120.570 -0.026 0.000 2.252 4 I HA -0.258 3.912 4.170 0.000 0.000 0.245 4 I C 1.595 177.560 176.117 -0.254 0.000 1.102 4 I CA 1.592 62.777 61.300 -0.192 0.000 1.385 4 I CB -0.428 37.370 38.000 -0.336 0.000 1.064 4 I HN 0.488 nan 8.210 nan 0.000 0.414 5 H N -0.695 118.458 119.070 0.139 0.000 2.379 5 H HA 0.180 4.737 4.556 0.000 0.000 0.308 5 H C 0.585 176.065 175.328 0.255 0.000 1.047 5 H CA 0.265 56.441 56.048 0.213 0.000 1.371 5 H CB -0.044 29.790 29.762 0.119 0.000 1.449 5 H HN -0.069 nan 8.280 nan 0.000 0.564 6 V N 3.466 123.552 119.914 0.288 0.000 2.267 6 V HA 0.134 4.254 4.120 0.000 0.000 0.254 6 V C 0.116 176.319 176.094 0.181 0.000 1.144 6 V CA -0.180 62.264 62.300 0.240 0.000 0.992 6 V CB -0.095 31.859 31.823 0.217 0.000 1.199 6 V HN 0.314 nan 8.190 nan 0.000 0.493 7 R N 3.490 124.085 120.500 0.158 0.000 3.206 7 R HA 0.488 4.828 4.340 0.000 0.000 0.209 7 R C 0.309 176.672 176.300 0.106 0.000 1.632 7 R CA 0.127 56.268 56.100 0.067 0.000 1.234 7 R CB 0.140 30.410 30.300 -0.050 0.000 1.270 7 R HN 0.729 nan 8.270 nan 0.000 0.665 8 A N 1.075 123.957 122.820 0.104 0.000 2.485 8 A HA 0.446 4.766 4.320 0.000 0.000 0.292 8 A C -1.369 176.251 177.584 0.059 0.000 1.147 8 A CA -0.789 51.304 52.037 0.092 0.000 0.750 8 A CB 1.211 20.235 19.000 0.040 0.000 1.331 8 A HN 0.659 nan 8.150 nan 0.000 0.419 9 H N -0.021 119.014 119.070 -0.059 0.000 2.533 9 H HA 0.514 5.070 4.556 0.000 0.000 0.343 9 H C -2.137 173.135 175.328 -0.093 0.000 1.160 9 H CA -1.613 54.400 56.048 -0.058 0.000 1.218 9 H CB 1.879 31.616 29.762 -0.042 0.000 1.566 9 H HN 0.250 nan 8.280 nan 0.000 0.522 10 P HA -0.131 nan 4.420 nan 0.000 0.217 10 P C 1.137 178.309 177.300 -0.213 0.000 1.151 10 P CA 2.184 65.060 63.100 -0.373 0.000 0.849 10 P CB 0.030 31.475 31.700 -0.425 0.000 0.787 11 G N -1.135 107.608 108.800 -0.095 0.000 2.679 11 G HA2 -0.166 3.795 3.960 0.000 0.000 0.212 11 G HA3 -0.166 3.795 3.960 0.000 0.000 0.212 11 G C 1.042 175.943 174.900 0.003 0.000 1.137 11 G CA 0.379 45.509 45.100 0.049 0.000 0.787 11 G HN 0.204 nan 8.290 nan 0.000 0.534 12 D N -0.131 120.224 120.400 -0.075 0.000 2.213 12 D HA 0.018 4.658 4.640 0.000 0.000 0.205 12 D C 1.001 177.065 176.300 -0.394 0.000 0.961 12 D CA 0.440 54.316 54.000 -0.207 0.000 0.853 12 D CB 0.429 41.042 40.800 -0.312 0.000 0.967 12 D HN 0.116 nan 8.370 nan 0.000 0.496 13 V N 1.358 121.042 119.914 -0.383 0.000 2.427 13 V HA 0.559 4.679 4.120 0.000 0.000 0.286 13 V C 0.517 176.547 176.094 -0.107 0.000 1.034 13 V CA -1.021 61.100 62.300 -0.299 0.000 0.893 13 V CB 1.400 33.055 31.823 -0.281 0.000 0.982 13 V HN 0.052 nan 8.190 nan 0.000 0.452 14 A N 3.117 125.920 122.820 -0.029 0.000 2.259 14 A HA 0.443 4.763 4.320 0.000 0.000 0.278 14 A C 1.018 178.608 177.584 0.010 0.000 1.107 14 A CA -0.292 51.749 52.037 0.007 0.000 0.828 14 A CB 0.260 19.288 19.000 0.046 0.000 1.111 14 A HN 0.907 nan 8.150 nan 0.000 0.498 15 E N -0.274 119.936 120.200 0.016 0.000 2.204 15 E HA -0.095 4.255 4.350 0.000 0.000 0.194 15 E C 0.052 176.670 176.600 0.029 0.000 0.989 15 E CA 0.764 57.174 56.400 0.017 0.000 0.824 15 E CB 0.045 29.755 29.700 0.017 0.000 0.756 15 E HN 0.470 nan 8.360 nan 0.000 0.477 16 R N 0.874 121.398 120.500 0.039 0.000 2.294 16 R HA 0.392 4.732 4.340 0.000 0.000 0.319 16 R C -0.993 175.339 176.300 0.053 0.000 0.984 16 R CA -0.379 55.747 56.100 0.044 0.000 0.861 16 R CB 1.958 32.287 30.300 0.047 0.000 1.104 16 R HN -0.157 nan 8.270 nan 0.000 0.451 17 V N 4.437 124.383 119.914 0.053 0.000 2.709 17 V HA 0.415 4.535 4.120 0.000 0.000 0.308 17 V C -0.294 175.832 176.094 0.053 0.000 1.062 17 V CA -0.936 61.406 62.300 0.069 0.000 0.901 17 V CB 2.229 34.101 31.823 0.082 0.000 1.003 17 V HN 0.589 nan 8.190 nan 0.000 0.425 18 L N 4.786 126.040 121.223 0.051 0.000 2.309 18 L HA 0.586 4.926 4.340 0.000 0.000 0.282 18 L C -0.741 176.163 176.870 0.057 0.000 1.036 18 L CA -0.548 54.309 54.840 0.028 0.000 0.806 18 L CB 1.747 43.796 42.059 -0.017 0.000 1.220 18 L HN 0.499 nan 8.230 nan 0.000 0.429 19 L N 5.685 126.936 121.223 0.048 0.000 2.371 19 L HA 0.370 4.710 4.340 0.000 0.000 0.262 19 L C -2.217 174.677 176.870 0.039 0.000 1.054 19 L CA -1.571 53.300 54.840 0.053 0.000 0.924 19 L CB 1.034 43.120 42.059 0.044 0.000 1.295 19 L HN 0.317 nan 8.230 nan 0.000 0.441 20 P HA 0.156 nan 4.420 nan 0.000 0.281 20 P C 0.495 177.810 177.300 0.025 0.000 1.249 20 P CA -0.287 62.837 63.100 0.040 0.000 0.810 20 P CB 2.113 33.853 31.700 0.067 0.000 1.008 21 G N 1.026 109.826 108.800 -0.001 0.000 2.453 21 G HA2 -0.070 3.891 3.960 0.000 0.000 0.215 21 G HA3 -0.070 3.891 3.960 0.000 0.000 0.215 21 G C 0.245 175.122 174.900 -0.039 0.000 1.147 21 G CA 0.363 45.450 45.100 -0.023 0.000 0.802 21 G HN 0.549 nan 8.290 nan 0.000 0.535 22 D N 0.404 120.783 120.400 -0.036 0.000 2.295 22 D HA 0.261 4.901 4.640 0.000 0.000 0.248 22 D C -0.853 175.421 176.300 -0.043 0.000 1.154 22 D CA -2.445 51.518 54.000 -0.063 0.000 0.857 22 D CB 2.083 42.846 40.800 -0.062 0.000 1.117 22 D HN -0.011 nan 8.370 nan 0.000 0.468 23 P HA -0.085 nan 4.420 nan 0.000 0.218 23 P C 1.325 178.618 177.300 -0.012 0.000 1.149 23 P CA 0.966 63.982 63.100 -0.140 0.000 0.817 23 P CB 0.129 31.482 31.700 -0.579 0.000 0.785 24 G N 0.293 109.046 108.800 -0.078 0.000 2.432 24 G HA2 -0.236 3.724 3.960 0.000 0.000 0.219 24 G HA3 -0.236 3.724 3.960 0.000 0.000 0.219 24 G C 1.899 176.888 174.900 0.148 0.000 1.135 24 G CA 0.381 45.512 45.100 0.051 0.000 0.767 24 G HN 0.264 nan 8.290 nan 0.000 0.550 25 R N 0.342 120.907 120.500 0.108 0.000 2.119 25 R HA 0.169 4.509 4.340 0.000 0.000 0.222 25 R C 2.809 179.254 176.300 0.241 0.000 1.088 25 R CA 1.120 57.327 56.100 0.177 0.000 0.984 25 R CB -0.255 30.101 30.300 0.093 0.000 0.884 25 R HN 0.264 nan 8.270 nan 0.000 0.447 26 A N 1.036 123.976 122.820 0.199 0.000 1.902 26 A HA -0.223 4.097 4.320 0.000 0.000 0.217 26 A C 1.993 179.583 177.584 0.010 0.000 1.181 26 A CA 1.670 53.828 52.037 0.202 0.000 0.623 26 A CB -0.522 18.691 19.000 0.355 0.000 0.818 26 A HN 0.570 nan 8.150 nan 0.000 0.443 27 E N -1.606 118.635 120.200 0.068 0.000 2.047 27 E HA -0.238 4.112 4.350 0.000 0.000 0.191 27 E C 1.825 178.365 176.600 -0.100 0.000 0.987 27 E CA 1.309 57.571 56.400 -0.230 0.000 0.799 27 E CB -0.322 29.516 29.700 0.229 0.000 0.752 27 E HN 0.756 nan 8.360 nan 0.000 0.449 28 W N 1.423 122.699 121.300 -0.040 0.000 2.338 28 W HA -0.178 4.482 4.660 0.000 0.000 0.304 28 W C 1.781 178.328 176.519 0.047 0.000 1.212 28 W CA 1.800 59.149 57.345 0.007 0.000 1.264 28 W CB -0.316 29.171 29.460 0.044 0.000 1.142 28 W HN 0.062 nan 8.180 nan 0.000 0.512 29 I N 0.808 121.399 120.570 0.035 0.000 2.127 29 I HA -0.338 3.832 4.170 0.000 0.000 0.241 29 I C 2.657 178.691 176.117 -0.139 0.000 1.075 29 I CA 1.696 62.930 61.300 -0.109 0.000 1.334 29 I CB -1.200 36.807 38.000 0.012 0.000 1.040 29 I HN 0.111 nan 8.210 nan 0.000 0.405 30 A N 0.700 123.391 122.820 -0.215 0.000 1.940 30 A HA -0.231 4.089 4.320 0.000 0.000 0.219 30 A C 2.292 179.764 177.584 -0.187 0.000 1.176 30 A CA 1.774 53.677 52.037 -0.224 0.000 0.631 30 A CB -0.423 18.259 19.000 -0.531 0.000 0.814 30 A HN 0.369 nan 8.150 nan 0.000 0.446 31 K N -1.333 118.917 120.400 -0.251 0.000 2.186 31 K HA 0.002 4.322 4.320 0.000 0.000 0.202 31 K C 1.791 178.228 176.600 -0.271 0.000 1.052 31 K CA 1.419 57.581 56.287 -0.208 0.000 0.965 31 K CB -0.065 32.334 32.500 -0.169 0.000 0.746 31 K HN 0.429 nan 8.250 nan 0.000 0.457 32 T N -0.033 114.249 114.554 -0.455 0.000 3.009 32 T HA 0.046 4.396 4.350 0.000 0.000 0.258 32 T C 0.968 175.275 174.700 -0.655 0.000 1.063 32 T CA 0.863 62.562 62.100 -0.669 0.000 1.139 32 T CB 0.039 68.133 68.868 -1.290 0.000 0.890 32 T HN 0.063 nan 8.240 nan 0.000 0.471 33 F N 0.110 119.887 119.950 -0.289 0.000 2.752 33 F HA 0.463 4.990 4.527 0.000 0.000 0.310 33 F C 0.458 176.276 175.800 0.031 0.000 1.097 33 F CA -0.478 57.466 58.000 -0.094 0.000 1.238 33 F CB 0.279 39.209 39.000 -0.117 0.000 1.061 33 F HN -0.057 nan 8.300 nan 0.000 0.591 34 L N 1.253 122.559 121.223 0.139 0.000 2.307 34 L HA 0.384 4.724 4.340 0.000 0.000 0.282 34 L C 0.086 176.992 176.870 0.060 0.000 1.051 34 L CA -0.616 54.300 54.840 0.126 0.000 0.804 34 L CB 1.403 43.522 42.059 0.099 0.000 1.197 34 L HN 0.024 nan 8.230 nan 0.000 0.431 35 Q N 2.918 122.759 119.800 0.067 0.000 2.279 35 Q HA 0.084 4.424 4.340 0.000 0.000 0.256 35 Q C -0.106 175.917 176.000 0.039 0.000 0.937 35 Q CA -0.256 55.566 55.803 0.032 0.000 0.933 35 Q CB 0.555 29.305 28.738 0.020 0.000 1.189 35 Q HN 0.626 nan 8.270 nan 0.000 0.417 36 N N 2.740 121.456 118.700 0.026 0.000 2.738 36 N HA -0.119 4.621 4.740 0.000 0.000 0.249 36 N C -2.633 172.910 175.510 0.055 0.000 1.047 36 N CA 0.468 53.538 53.050 0.033 0.000 0.707 36 N CB -0.242 38.265 38.487 0.033 0.000 0.937 36 N HN 0.486 nan 8.380 nan 0.000 0.545 37 P HA 0.132 nan 4.420 nan 0.000 0.268 37 P C -0.692 176.683 177.300 0.124 0.000 1.205 37 P CA 0.436 63.593 63.100 0.096 0.000 0.771 37 P CB 0.718 32.447 31.700 0.048 0.000 0.858 38 R N 2.450 123.054 120.500 0.174 0.000 2.574 38 R HA 0.362 4.702 4.340 0.000 0.000 0.288 38 R C 0.030 176.392 176.300 0.104 0.000 1.004 38 R CA -0.958 55.222 56.100 0.133 0.000 0.895 38 R CB 2.133 32.496 30.300 0.104 0.000 1.191 38 R HN 0.572 nan 8.270 nan 0.000 0.444 39 R N 2.520 122.989 120.500 -0.052 0.000 2.267 39 R HA 0.101 4.441 4.340 0.000 0.000 0.319 39 R C 0.255 176.387 176.300 -0.280 0.000 1.067 39 R CA 0.036 55.855 56.100 -0.467 0.000 0.936 39 R CB 0.380 30.292 30.300 -0.647 0.000 1.006 39 R HN 0.678 nan 8.270 nan 0.000 0.452 40 Y N 1.653 121.837 120.300 -0.193 0.000 2.449 40 Y HA 0.402 4.952 4.550 0.000 0.000 0.254 40 Y C -0.467 175.383 175.900 -0.083 0.000 1.140 40 Y CA -0.981 57.063 58.100 -0.093 0.000 1.272 40 Y CB 0.200 38.642 38.460 -0.031 0.000 1.114 40 Y HN 0.547 nan 8.280 nan 0.000 0.525 41 N N 0.295 118.838 118.700 -0.262 0.000 2.555 41 N HA 0.217 4.957 4.740 0.000 0.000 0.265 41 N C -1.344 174.081 175.510 -0.142 0.000 1.135 41 N CA -0.044 52.961 53.050 -0.076 0.000 0.925 41 N CB 1.410 39.970 38.487 0.122 0.000 1.662 41 N HN 0.169 nan 8.380 nan 0.000 0.489 42 D N -0.102 120.310 120.400 0.020 0.000 2.497 42 D HA 0.032 4.672 4.640 0.000 0.000 0.256 42 D C -0.406 176.048 176.300 0.256 0.000 1.273 42 D CA -0.112 53.984 54.000 0.160 0.000 0.812 42 D CB -0.710 40.053 40.800 -0.063 0.000 1.190 42 D HN 0.600 nan 8.370 nan 0.000 0.524 43 H N 2.366 121.502 119.070 0.110 0.000 2.964 43 H HA 0.119 4.675 4.556 0.000 0.000 0.328 43 H C 0.416 175.812 175.328 0.114 0.000 1.030 43 H CA 0.815 56.922 56.048 0.098 0.000 1.445 43 H CB 0.441 30.245 29.762 0.071 0.000 1.449 43 H HN 0.057 nan 8.280 nan 0.000 0.581 44 R N 2.551 122.796 120.500 -0.424 0.000 3.953 44 R HA -0.223 4.117 4.340 0.000 0.000 0.340 44 R C 1.064 177.304 176.300 -0.100 0.000 1.195 44 R CA 0.834 56.760 56.100 -0.291 0.000 0.929 44 R CB -1.779 28.343 30.300 -0.296 0.000 1.402 44 R HN 1.110 nan 8.270 nan 0.000 0.540 45 G N 0.014 108.809 108.800 -0.008 0.000 2.168 45 G HA2 -0.322 3.638 3.960 0.000 0.000 0.263 45 G HA3 -0.322 3.638 3.960 0.000 0.000 0.263 45 G C 0.237 175.082 174.900 -0.091 0.000 0.977 45 G CA 0.430 45.485 45.100 -0.074 0.000 0.659 45 G HN 0.307 nan 8.290 nan 0.000 0.533 46 L N 0.693 121.950 121.223 0.057 0.000 2.533 46 L HA 0.258 4.598 4.340 0.000 0.000 0.239 46 L C 0.569 177.549 176.870 0.185 0.000 1.376 46 L CA -1.050 53.838 54.840 0.081 0.000 1.240 46 L CB -0.453 41.662 42.059 0.093 0.000 1.487 46 L HN 0.130 nan 8.230 nan 0.000 0.419 47 W N 1.700 122.961 121.300 -0.065 0.000 2.476 47 W HA 0.216 4.876 4.660 0.000 0.000 0.338 47 W C 0.945 177.281 176.519 -0.305 0.000 1.328 47 W CA -0.572 56.661 57.345 -0.188 0.000 1.300 47 W CB -0.092 29.355 29.460 -0.022 0.000 1.252 47 W HN 0.243 nan 8.180 nan 0.000 0.568 48 G N 3.626 112.100 108.800 -0.543 0.000 2.590 48 G HA2 0.658 4.618 3.960 0.000 0.000 0.310 48 G HA3 0.658 4.618 3.960 0.000 0.000 0.310 48 G C -2.076 171.960 174.900 -1.440 0.000 1.347 48 G CA -0.584 44.009 45.100 -0.846 0.000 0.963 48 G HN 0.256 nan 8.290 nan 0.000 0.494 49 Y N 0.052 120.097 120.300 -0.424 0.000 2.562 49 Y HA 0.760 5.310 4.550 0.000 0.000 0.343 49 Y C 0.475 176.487 175.900 0.187 0.000 1.025 49 Y CA -0.893 57.118 58.100 -0.148 0.000 1.082 49 Y CB 2.874 41.310 38.460 -0.041 0.000 1.264 49 Y HN 0.447 nan 8.280 nan 0.000 0.478 50 T N 0.914 115.700 114.554 0.386 0.000 2.921 50 T HA 0.743 5.093 4.350 0.000 0.000 0.297 50 T C -0.266 174.561 174.700 0.212 0.000 1.013 50 T CA -0.732 61.556 62.100 0.314 0.000 0.990 50 T CB 1.690 70.738 68.868 0.299 0.000 1.023 50 T HN 1.023 nan 8.240 nan 0.000 0.447 51 G N 1.375 110.276 108.800 0.167 0.000 2.706 51 G HA2 0.701 4.661 3.960 0.000 0.000 0.307 51 G HA3 0.701 4.661 3.960 0.000 0.000 0.307 51 G C -2.022 172.951 174.900 0.122 0.000 1.307 51 G CA -0.770 44.407 45.100 0.129 0.000 0.790 51 G HN 0.686 nan 8.290 nan 0.000 0.503 52 L N 0.274 121.563 121.223 0.110 0.000 2.329 52 L HA 0.513 4.853 4.340 0.000 0.000 0.279 52 L C -1.423 175.541 176.870 0.157 0.000 1.014 52 L CA -0.950 53.955 54.840 0.109 0.000 0.814 52 L CB 2.141 44.235 42.059 0.059 0.000 1.257 52 L HN 0.573 nan 8.230 nan 0.000 0.424 53 Y N 3.681 124.007 120.300 0.043 0.000 2.345 53 Y HA 0.267 4.817 4.550 0.000 0.000 0.331 53 Y C 0.066 175.989 175.900 0.038 0.000 0.959 53 Y CA -1.297 56.832 58.100 0.049 0.000 1.204 53 Y CB 0.755 39.246 38.460 0.052 0.000 1.135 53 Y HN 0.549 nan 8.280 nan 0.000 0.477 54 K N 4.840 124.956 120.400 -0.473 0.000 3.257 54 K HA -0.230 4.090 4.320 0.000 0.000 0.270 54 K C 0.911 177.424 176.600 -0.145 0.000 0.984 54 K CA 0.939 57.011 56.287 -0.359 0.000 0.739 54 K CB -1.585 30.613 32.500 -0.505 0.000 1.351 54 K HN 1.307 nan 8.250 nan 0.000 0.463 55 G N -1.418 107.336 108.800 -0.077 0.000 2.168 55 G HA2 -0.326 3.634 3.960 0.000 0.000 0.263 55 G HA3 -0.326 3.634 3.960 0.000 0.000 0.263 55 G C 0.118 175.022 174.900 0.007 0.000 0.977 55 G CA 0.299 45.384 45.100 -0.026 0.000 0.659 55 G HN 0.316 nan 8.290 nan 0.000 0.533 56 V N 1.080 121.013 119.914 0.032 0.000 2.448 56 V HA 0.494 4.614 4.120 0.000 0.000 0.295 56 V C -2.004 174.148 176.094 0.096 0.000 1.025 56 V CA -1.966 60.374 62.300 0.066 0.000 0.859 56 V CB 2.143 34.019 31.823 0.088 0.000 0.988 56 V HN 0.040 nan 8.190 nan 0.000 0.431 57 P HA 0.210 nan 4.420 nan 0.000 0.267 57 P C -0.955 176.405 177.300 0.099 0.000 1.205 57 P CA 0.214 63.365 63.100 0.085 0.000 0.765 57 P CB 0.616 32.353 31.700 0.061 0.000 0.828 58 V N 3.280 123.265 119.914 0.117 0.000 2.668 58 V HA 0.300 4.420 4.120 0.000 0.000 0.304 58 V C -0.091 176.083 176.094 0.133 0.000 1.071 58 V CA -0.436 61.930 62.300 0.110 0.000 0.894 58 V CB 2.254 34.140 31.823 0.105 0.000 1.008 58 V HN 0.388 nan 8.190 nan 0.000 0.425 59 S N 2.614 118.398 115.700 0.140 0.000 2.651 59 S HA 0.778 5.248 4.470 0.000 0.000 0.291 59 S C -0.508 174.210 174.600 0.196 0.000 1.141 59 S CA -0.594 57.739 58.200 0.222 0.000 1.027 59 S CB 1.935 65.280 63.200 0.242 0.000 1.043 59 S HN 0.513 nan 8.310 nan 0.000 0.530 60 V N 2.902 122.969 119.914 0.255 0.000 2.419 60 V HA 0.409 4.529 4.120 0.000 0.000 0.287 60 V C -0.670 175.571 176.094 0.246 0.000 1.017 60 V CA -0.619 61.807 62.300 0.210 0.000 0.844 60 V CB 1.239 33.179 31.823 0.194 0.000 1.011 60 V HN 0.765 nan 8.190 nan 0.000 0.429 61 Q N 2.768 122.688 119.800 0.200 0.000 2.322 61 Q HA 0.525 4.865 4.340 0.000 0.000 0.265 61 Q C -0.169 175.915 176.000 0.140 0.000 0.985 61 Q CA -0.087 55.827 55.803 0.184 0.000 0.849 61 Q CB 1.879 30.743 28.738 0.211 0.000 1.274 61 Q HN 0.729 nan 8.270 nan 0.000 0.449 62 T N 2.979 117.614 114.554 0.135 0.000 2.901 62 T HA 0.186 4.536 4.350 0.000 0.000 0.301 62 T C 0.947 175.680 174.700 0.056 0.000 1.012 62 T CA 0.586 62.739 62.100 0.089 0.000 1.135 62 T CB 0.687 69.600 68.868 0.075 0.000 0.936 62 T HN 0.802 nan 8.240 nan 0.000 0.539 63 T N -0.121 114.448 114.554 0.025 0.000 2.990 63 T HA 0.492 4.842 4.350 0.000 0.000 0.249 63 T C 1.110 175.797 174.700 -0.020 0.000 1.039 63 T CA 0.290 62.395 62.100 0.008 0.000 1.036 63 T CB -0.148 68.721 68.868 0.001 0.000 0.994 63 T HN 1.136 nan 8.240 nan 0.000 0.489 64 G N 1.747 110.525 108.800 -0.037 0.000 2.796 64 G HA2 -0.091 3.869 3.960 0.000 0.000 0.571 64 G HA3 -0.091 3.869 3.960 0.000 0.000 0.571 64 G C -0.608 174.255 174.900 -0.061 0.000 1.370 64 G CA -0.485 44.578 45.100 -0.061 0.000 0.856 64 G HN 0.582 nan 8.290 nan 0.000 0.538 65 M N 0.991 120.547 119.600 -0.073 0.000 2.209 65 M HA 0.575 5.055 4.480 0.000 0.000 0.355 65 M C 0.717 176.984 176.300 -0.055 0.000 1.171 65 M CA 0.715 55.972 55.300 -0.072 0.000 1.069 65 M CB 1.301 33.839 32.600 -0.103 0.000 1.622 65 M HN 2.520 nan 8.290 nan 0.000 0.459 66 G N 1.092 109.866 108.800 -0.042 0.000 2.697 66 G HA2 -0.158 3.802 3.960 0.000 0.000 0.686 66 G HA3 -0.158 3.802 3.960 0.000 0.000 0.686 66 G C 0.301 175.181 174.900 -0.033 0.000 1.179 66 G CA -0.311 44.771 45.100 -0.031 0.000 0.765 66 G HN 0.896 nan 8.290 nan 0.000 0.649 67 T N -1.055 113.483 114.554 -0.027 0.000 2.833 67 T HA -0.027 4.323 4.350 0.000 0.000 0.269 67 T C 0.120 174.815 174.700 -0.007 0.000 1.054 67 T CA 2.135 64.223 62.100 -0.020 0.000 1.135 67 T CB -0.677 68.184 68.868 -0.011 0.000 0.869 67 T HN 0.403 nan 8.240 nan 0.000 0.466 68 P HA -0.037 nan 4.420 nan 0.000 0.215 68 P C 2.123 179.393 177.300 -0.049 0.000 1.157 68 P CA 1.134 64.215 63.100 -0.031 0.000 0.863 68 P CB -0.244 31.432 31.700 -0.041 0.000 0.787 69 S N -0.921 114.746 115.700 -0.054 0.000 2.355 69 S HA -0.131 4.339 4.470 0.000 0.000 0.222 69 S C 1.989 176.558 174.600 -0.052 0.000 1.031 69 S CA 1.349 59.507 58.200 -0.069 0.000 0.993 69 S CB -1.074 62.090 63.200 -0.060 0.000 0.859 69 S HN 0.036 nan 8.310 nan 0.000 0.453 70 A N 1.103 123.903 122.820 -0.033 0.000 1.972 70 A HA 0.214 4.534 4.320 0.000 0.000 0.219 70 A C 2.367 179.948 177.584 -0.004 0.000 1.169 70 A CA 1.759 53.783 52.037 -0.020 0.000 0.635 70 A CB -1.140 17.842 19.000 -0.031 0.000 0.810 70 A HN 0.695 nan 8.150 nan 0.000 0.446 71 A N -0.045 122.782 122.820 0.011 0.000 1.898 71 A HA -0.044 4.276 4.320 0.000 0.000 0.216 71 A C 2.106 179.718 177.584 0.046 0.000 1.181 71 A CA 1.408 53.480 52.037 0.059 0.000 0.620 71 A CB -0.540 18.554 19.000 0.158 0.000 0.819 71 A HN 0.477 nan 8.150 nan 0.000 0.442 72 I N -0.453 120.110 120.570 -0.012 0.000 2.226 72 I HA -0.224 3.946 4.170 0.000 0.000 0.245 72 I C 2.362 178.478 176.117 -0.003 0.000 1.100 72 I CA 1.175 62.439 61.300 -0.059 0.000 1.374 72 I CB -0.218 37.620 38.000 -0.271 0.000 1.057 72 I HN 0.165 nan 8.210 nan 0.000 0.413 73 V N 0.227 120.143 119.914 0.003 0.000 2.307 73 V HA -0.231 3.889 4.120 0.000 0.000 0.245 73 V C 2.390 178.517 176.094 0.055 0.000 1.045 73 V CA 1.519 63.847 62.300 0.047 0.000 1.024 73 V CB -0.348 31.502 31.823 0.045 0.000 0.651 73 V HN 0.222 nan 8.190 nan 0.000 0.449 74 V N -0.299 119.637 119.914 0.037 0.000 2.343 74 V HA -0.215 3.905 4.120 0.000 0.000 0.247 74 V C 2.587 178.701 176.094 0.032 0.000 1.051 74 V CA 1.834 64.154 62.300 0.033 0.000 1.036 74 V CB -0.643 31.189 31.823 0.015 0.000 0.654 74 V HN 0.559 nan 8.190 nan 0.000 0.451 75 E N 0.086 120.309 120.200 0.038 0.000 2.085 75 E HA -0.256 4.094 4.350 0.000 0.000 0.194 75 E C 2.224 178.854 176.600 0.050 0.000 0.994 75 E CA 1.550 57.976 56.400 0.044 0.000 0.801 75 E CB -0.142 29.604 29.700 0.077 0.000 0.743 75 E HN 0.708 nan 8.360 nan 0.000 0.453 76 E N 0.433 120.673 120.200 0.067 0.000 2.107 76 E HA -0.072 4.278 4.350 0.000 0.000 0.191 76 E C 2.333 178.962 176.600 0.048 0.000 0.982 76 E CA 0.363 56.806 56.400 0.072 0.000 0.809 76 E CB -0.011 29.757 29.700 0.113 0.000 0.756 76 E HN 0.165 nan 8.360 nan 0.000 0.459 77 L N 0.473 121.727 121.223 0.051 0.000 2.083 77 L HA -0.177 4.163 4.340 0.000 0.000 0.209 77 L C 2.398 179.276 176.870 0.014 0.000 1.083 77 L CA 0.682 55.544 54.840 0.037 0.000 0.752 77 L CB -0.308 41.784 42.059 0.055 0.000 0.899 77 L HN 0.076 nan 8.230 nan 0.000 0.433 78 V N -0.207 119.717 119.914 0.017 0.000 2.358 78 V HA -0.262 3.858 4.120 0.000 0.000 0.246 78 V C 2.600 178.692 176.094 -0.003 0.000 1.047 78 V CA 1.721 64.025 62.300 0.006 0.000 1.035 78 V CB -0.554 31.272 31.823 0.005 0.000 0.658 78 V HN 0.402 nan 8.190 nan 0.000 0.452 79 R N 0.202 120.703 120.500 0.002 0.000 2.193 79 R HA -0.038 4.302 4.340 0.000 0.000 0.229 79 R C 1.664 177.947 176.300 -0.030 0.000 1.110 79 R CA 1.418 57.513 56.100 -0.007 0.000 0.988 79 R CB -0.487 29.817 30.300 0.006 0.000 0.871 79 R HN 0.516 nan 8.270 nan 0.000 0.458 80 L N -1.248 119.953 121.223 -0.036 0.000 2.611 80 L HA 0.315 4.655 4.340 0.000 0.000 0.229 80 L C 0.945 177.769 176.870 -0.076 0.000 1.137 80 L CA 0.417 55.212 54.840 -0.074 0.000 0.901 80 L CB 0.376 42.383 42.059 -0.086 0.000 1.098 80 L HN 0.537 nan 8.230 nan 0.000 0.456 81 G N -0.178 108.593 108.800 -0.047 0.000 2.179 81 G HA2 -0.227 3.733 3.960 0.000 0.000 0.220 81 G HA3 -0.227 3.733 3.960 0.000 0.000 0.220 81 G C 0.428 175.314 174.900 -0.022 0.000 0.990 81 G CA -0.154 44.923 45.100 -0.039 0.000 0.646 81 G HN 0.428 nan 8.290 nan 0.000 0.517 82 A N 0.096 122.907 122.820 -0.014 0.000 2.520 82 A HA 0.658 4.978 4.320 0.000 0.000 0.245 82 A C 1.214 178.804 177.584 0.010 0.000 1.072 82 A CA 1.450 53.489 52.037 0.004 0.000 0.761 82 A CB 0.313 19.323 19.000 0.018 0.000 1.004 82 A HN 0.696 nan 8.150 nan 0.000 0.499 83 R N 1.513 122.023 120.500 0.016 0.000 2.310 83 R HA 0.303 4.643 4.340 0.000 0.000 0.199 83 R C -0.835 175.481 176.300 0.026 0.000 0.891 83 R CA 0.526 56.636 56.100 0.017 0.000 1.060 83 R CB 0.606 30.915 30.300 0.014 0.000 1.188 83 R HN 0.511 nan 8.270 nan 0.000 0.607 84 V N 2.766 122.700 119.914 0.032 0.000 2.443 84 V HA 0.405 4.525 4.120 0.000 0.000 0.293 84 V C -1.367 174.755 176.094 0.047 0.000 1.021 84 V CA -0.765 61.559 62.300 0.040 0.000 0.848 84 V CB 1.666 33.511 31.823 0.037 0.000 0.998 84 V HN 0.063 nan 8.190 nan 0.000 0.424 85 L N 5.977 127.234 121.223 0.058 0.000 2.343 85 L HA 0.691 5.031 4.340 0.000 0.000 0.278 85 L C -0.422 176.496 176.870 0.081 0.000 0.996 85 L CA -0.385 54.494 54.840 0.065 0.000 0.831 85 L CB 2.002 44.099 42.059 0.064 0.000 1.232 85 L HN 0.363 nan 8.230 nan 0.000 0.413 86 V N 3.108 123.063 119.914 0.067 0.000 2.407 86 V HA 0.471 4.591 4.120 0.000 0.000 0.291 86 V C 0.168 176.296 176.094 0.057 0.000 1.018 86 V CA -0.730 61.614 62.300 0.074 0.000 0.842 86 V CB 1.703 33.556 31.823 0.050 0.000 0.996 86 V HN 0.734 nan 8.190 nan 0.000 0.426 87 R N 4.064 124.603 120.500 0.066 0.000 2.438 87 R HA 0.534 4.874 4.340 0.000 0.000 0.287 87 R C -0.622 175.695 176.300 0.028 0.000 1.077 87 R CA -0.234 55.886 56.100 0.033 0.000 1.034 87 R CB 1.220 31.520 30.300 0.001 0.000 0.993 87 R HN 0.636 nan 8.270 nan 0.000 0.459 88 V N 1.974 121.897 119.914 0.016 0.000 2.327 88 V HA 0.724 4.844 4.120 0.000 0.000 0.272 88 V C -0.059 176.041 176.094 0.009 0.000 1.019 88 V CA -0.283 62.024 62.300 0.011 0.000 0.814 88 V CB 0.908 32.731 31.823 -0.000 0.000 1.040 88 V HN 0.878 nan 8.190 nan 0.000 0.440 89 G N 2.929 111.731 108.800 0.004 0.000 3.176 89 G HA2 0.856 4.816 3.960 0.000 0.000 0.272 89 G HA3 0.856 4.816 3.960 0.000 0.000 0.272 89 G C -0.329 174.569 174.900 -0.003 0.000 1.349 89 G CA -0.073 45.024 45.100 -0.004 0.000 0.953 89 G HN 0.970 nan 8.290 nan 0.000 0.559 90 T N -3.125 111.427 114.554 -0.003 0.000 2.949 90 T HA 0.839 5.189 4.350 0.000 0.000 0.287 90 T C -0.235 174.478 174.700 0.021 0.000 1.034 90 T CA -0.067 62.036 62.100 0.005 0.000 1.018 90 T CB 1.861 70.729 68.868 0.000 0.000 1.135 90 T HN 1.870 nan 8.240 nan 0.000 0.532 91 A N -0.288 122.551 122.820 0.031 0.000 2.606 91 A HA 0.832 5.152 4.320 0.000 0.000 0.293 91 A C -0.178 177.438 177.584 0.054 0.000 1.082 91 A CA -0.644 51.421 52.037 0.047 0.000 0.685 91 A CB 1.115 20.132 19.000 0.028 0.000 1.284 91 A HN 1.399 nan 8.150 nan 0.000 0.408 92 G N 0.580 109.422 108.800 0.070 0.000 2.329 92 G HA2 0.662 4.622 3.960 0.000 0.000 0.309 92 G HA3 0.662 4.622 3.960 0.000 0.000 0.309 92 G C 0.323 175.280 174.900 0.095 0.000 1.110 92 G CA 0.377 45.503 45.100 0.044 0.000 0.923 92 G HN 1.686 nan 8.290 nan 0.000 0.430 93 A N 1.980 124.837 122.820 0.063 0.000 2.540 93 A HA 0.489 4.809 4.320 0.000 0.000 0.239 93 A C 1.551 179.208 177.584 0.123 0.000 1.061 93 A CA 0.592 52.675 52.037 0.076 0.000 0.758 93 A CB 0.537 19.564 19.000 0.044 0.000 0.991 93 A HN 1.558 nan 8.150 nan 0.000 0.502 94 A N 2.228 125.151 122.820 0.172 0.000 2.147 94 A HA 0.396 4.716 4.320 0.000 0.000 0.211 94 A C 1.339 179.017 177.584 0.156 0.000 1.160 94 A CA 1.129 53.319 52.037 0.254 0.000 0.781 94 A CB -0.331 18.879 19.000 0.350 0.000 0.842 94 A HN 1.409 nan 8.150 nan 0.000 0.475 95 S N -1.521 114.239 115.700 0.100 0.000 2.806 95 S HA 0.480 4.950 4.470 0.000 0.000 0.315 95 S C 0.832 175.459 174.600 0.045 0.000 1.127 95 S CA 0.251 58.493 58.200 0.069 0.000 0.918 95 S CB 1.202 64.436 63.200 0.058 0.000 1.240 95 S HN 0.558 nan 8.310 nan 0.000 0.552 96 S N -0.286 115.434 115.700 0.032 0.000 2.503 96 S HA 0.003 4.473 4.470 0.000 0.000 0.217 96 S C 0.923 175.534 174.600 0.017 0.000 0.999 96 S CA 0.578 58.791 58.200 0.022 0.000 0.914 96 S CB -0.720 62.490 63.200 0.017 0.000 0.782 96 S HN 0.830 nan 8.310 nan 0.000 0.520 97 D N 1.297 121.707 120.400 0.017 0.000 2.352 97 D HA 0.076 4.716 4.640 0.000 0.000 0.232 97 D C 0.225 176.532 176.300 0.011 0.000 1.055 97 D CA -0.044 53.963 54.000 0.012 0.000 0.891 97 D CB -0.339 40.467 40.800 0.009 0.000 0.897 97 D HN 0.388 nan 8.370 nan 0.000 0.529 98 L N 0.831 122.064 121.223 0.016 0.000 2.280 98 L HA 0.579 4.919 4.340 0.000 0.000 0.287 98 L C 0.181 177.059 176.870 0.014 0.000 1.023 98 L CA -0.925 53.924 54.840 0.015 0.000 0.819 98 L CB 1.617 43.688 42.059 0.021 0.000 1.212 98 L HN -0.027 nan 8.230 nan 0.000 0.420 99 A N 6.580 129.406 122.820 0.011 0.000 2.286 99 A HA 0.712 5.032 4.320 0.000 0.000 0.286 99 A C -2.392 175.197 177.584 0.007 0.000 1.097 99 A CA -1.411 50.631 52.037 0.009 0.000 0.821 99 A CB 0.152 19.156 19.000 0.008 0.000 1.076 99 A HN 0.440 nan 8.150 nan 0.000 0.490 100 P HA 0.250 nan 4.420 nan 0.000 0.271 100 P C 0.753 178.050 177.300 -0.005 0.000 1.216 100 P CA 1.370 64.470 63.100 -0.000 0.000 0.771 100 P CB 1.042 32.740 31.700 -0.003 0.000 0.864 101 G N 1.612 110.406 108.800 -0.009 0.000 2.199 101 G HA2 -0.255 3.705 3.960 0.000 0.000 0.254 101 G HA3 -0.255 3.705 3.960 0.000 0.000 0.254 101 G C 0.167 175.063 174.900 -0.007 0.000 0.982 101 G CA 0.208 45.298 45.100 -0.017 0.000 0.632 101 G HN 0.676 nan 8.290 nan 0.000 0.529 102 E N 0.333 120.537 120.200 0.006 0.000 2.383 102 E HA 0.504 4.854 4.350 0.000 0.000 0.264 102 E C 0.661 177.279 176.600 0.030 0.000 1.050 102 E CA -0.483 55.930 56.400 0.021 0.000 0.896 102 E CB 0.244 29.957 29.700 0.020 0.000 0.982 102 E HN 0.356 nan 8.360 nan 0.000 0.424 103 L N 4.980 126.239 121.223 0.059 0.000 2.357 103 L HA 0.445 4.785 4.340 0.000 0.000 0.273 103 L C -0.104 176.810 176.870 0.073 0.000 1.080 103 L CA -0.660 54.222 54.840 0.070 0.000 0.803 103 L CB 0.968 43.091 42.059 0.106 0.000 1.174 103 L HN 0.538 nan 8.230 nan 0.000 0.443 104 I N 2.670 123.270 120.570 0.050 0.000 2.447 104 I HA 0.266 4.436 4.170 0.000 0.000 0.287 104 I C -0.641 175.498 176.117 0.037 0.000 1.023 104 I CA -0.664 60.657 61.300 0.035 0.000 1.083 104 I CB 2.329 40.340 38.000 0.019 0.000 1.245 104 I HN 0.179 nan 8.210 nan 0.000 0.434 105 V N 5.981 125.905 119.914 0.017 0.000 2.348 105 V HA 0.364 4.484 4.120 0.000 0.000 0.270 105 V C 0.728 176.884 176.094 0.103 0.000 1.037 105 V CA -0.595 61.721 62.300 0.026 0.000 0.872 105 V CB 1.221 32.979 31.823 -0.109 0.000 1.002 105 V HN 0.823 nan 8.190 nan 0.000 0.464 106 A N 4.085 127.005 122.820 0.168 0.000 2.476 106 A HA 0.171 4.491 4.320 0.000 0.000 0.275 106 A C 1.150 178.837 177.584 0.172 0.000 1.133 106 A CA 0.012 52.163 52.037 0.190 0.000 0.797 106 A CB 0.165 19.332 19.000 0.279 0.000 1.081 106 A HN 0.940 nan 8.150 nan 0.000 0.510 107 Q N 2.519 122.333 119.800 0.024 0.000 2.269 107 Q HA 0.240 4.580 4.340 0.000 0.000 0.201 107 Q C 0.696 176.475 176.000 -0.367 0.000 0.946 107 Q CA 1.065 56.646 55.803 -0.370 0.000 0.877 107 Q CB 0.157 28.738 28.738 -0.262 0.000 0.963 107 Q HN 0.950 nan 8.270 nan 0.000 0.472 108 G N -0.791 107.955 108.800 -0.090 0.000 2.523 108 G HA2 0.582 4.543 3.960 0.000 0.000 0.291 108 G HA3 0.582 4.543 3.960 0.000 0.000 0.291 108 G C -2.026 172.960 174.900 0.142 0.000 1.450 108 G CA -0.251 44.852 45.100 0.004 0.000 0.790 108 G HN 0.157 nan 8.290 nan 0.000 0.496 109 A N 0.111 123.030 122.820 0.164 0.000 2.357 109 A HA 0.682 5.002 4.320 0.000 0.000 0.295 109 A C -0.251 177.297 177.584 -0.061 0.000 1.121 109 A CA -0.498 51.544 52.037 0.009 0.000 0.742 109 A CB 1.505 20.459 19.000 -0.075 0.000 1.181 109 A HN 1.478 nan 8.150 nan 0.000 0.454 110 V N 4.962 124.778 119.914 -0.163 0.000 2.493 110 V HA 0.159 4.279 4.120 0.000 0.000 0.292 110 V C -1.710 174.273 176.094 -0.184 0.000 1.016 110 V CA -0.375 61.803 62.300 -0.204 0.000 1.097 110 V CB 0.660 32.230 31.823 -0.422 0.000 0.947 110 V HN 0.766 nan 8.190 nan 0.000 0.479 111 P HA 0.223 nan 4.420 nan 0.000 0.247 111 P C 0.115 177.385 177.300 -0.050 0.000 1.756 111 P CA -0.021 63.054 63.100 -0.041 0.000 1.117 111 P CB 0.317 32.046 31.700 0.048 0.000 1.869 112 L N 1.925 123.089 121.223 -0.098 0.000 2.685 112 L HA 0.167 4.507 4.340 0.000 0.000 0.233 112 L C 1.066 177.923 176.870 -0.021 0.000 1.173 112 L CA -0.027 54.776 54.840 -0.061 0.000 0.961 112 L CB -0.300 41.690 42.059 -0.115 0.000 1.217 112 L HN 0.296 nan 8.230 nan 0.000 0.478 113 D N -1.083 119.307 120.400 -0.017 0.000 2.299 113 D HA 0.179 4.819 4.640 0.000 0.000 0.243 113 D C 0.875 177.179 176.300 0.007 0.000 0.982 113 D CA -0.467 53.530 54.000 -0.005 0.000 0.924 113 D CB 2.279 43.072 40.800 -0.013 0.000 1.238 113 D HN -0.043 nan 8.370 nan 0.000 0.484 114 G N 0.023 108.825 108.800 0.003 0.000 2.623 114 G HA2 -0.113 3.847 3.960 0.000 0.000 0.214 114 G HA3 -0.113 3.847 3.960 0.000 0.000 0.214 114 G C 1.193 176.088 174.900 -0.010 0.000 1.138 114 G CA 0.550 45.649 45.100 -0.003 0.000 0.794 114 G HN 0.554 nan 8.290 nan 0.000 0.535 115 T N 1.322 115.877 114.554 0.003 0.000 2.701 115 T HA -0.151 4.199 4.350 0.000 0.000 0.263 115 T C 2.891 177.655 174.700 0.107 0.000 1.040 115 T CA 2.092 64.203 62.100 0.018 0.000 1.147 115 T CB -0.622 68.279 68.868 0.055 0.000 0.865 115 T HN 0.521 nan 8.240 nan 0.000 0.426 116 T N 1.096 115.716 114.554 0.110 0.000 2.788 116 T HA -0.110 4.240 4.350 0.000 0.000 0.268 116 T C 1.994 176.743 174.700 0.082 0.000 1.044 116 T CA 1.054 63.226 62.100 0.121 0.000 1.139 116 T CB -0.322 68.586 68.868 0.066 0.000 0.867 116 T HN 0.284 nan 8.240 nan 0.000 0.454 117 R N 0.838 121.365 120.500 0.045 0.000 2.091 117 R HA -0.142 4.198 4.340 0.000 0.000 0.238 117 R C 2.749 179.055 176.300 0.009 0.000 1.136 117 R CA 1.768 57.883 56.100 0.026 0.000 0.959 117 R CB -0.346 29.964 30.300 0.016 0.000 0.856 117 R HN 0.631 nan 8.270 nan 0.000 0.437 118 Q N -0.715 119.072 119.800 -0.022 0.000 2.046 118 Q HA -0.189 4.151 4.340 0.000 0.000 0.200 118 Q C 1.768 177.731 176.000 -0.060 0.000 0.975 118 Q CA 1.679 57.435 55.803 -0.079 0.000 0.836 118 Q CB -0.164 28.471 28.738 -0.172 0.000 0.896 118 Q HN 0.490 nan 8.270 nan 0.000 0.428 119 Y N 0.119 120.387 120.300 -0.053 0.000 2.256 119 Y HA -0.203 4.347 4.550 0.000 0.000 0.288 119 Y C 1.770 177.618 175.900 -0.087 0.000 1.155 119 Y CA 0.814 58.873 58.100 -0.069 0.000 1.203 119 Y CB 0.208 38.615 38.460 -0.088 0.000 0.980 119 Y HN 0.151 nan 8.280 nan 0.000 0.530 120 L N -0.168 121.095 121.223 0.067 0.000 2.592 120 L HA 0.020 4.360 4.340 0.000 0.000 0.227 120 L C 0.296 177.169 176.870 0.006 0.000 1.127 120 L CA 0.342 55.177 54.840 -0.009 0.000 0.884 120 L CB -0.218 41.812 42.059 -0.048 0.000 1.065 120 L HN 0.194 nan 8.230 nan 0.000 0.457 121 E N -0.085 120.120 120.200 0.009 0.000 2.440 121 E HA -0.297 4.053 4.350 0.000 0.000 0.246 121 E C 1.203 177.808 176.600 0.008 0.000 1.165 121 E CA 0.253 56.655 56.400 0.003 0.000 0.726 121 E CB -1.709 27.994 29.700 0.004 0.000 1.271 121 E HN 0.681 nan 8.360 nan 0.000 0.397 122 G N -0.033 108.775 108.800 0.013 0.000 2.184 122 G HA2 -0.395 3.565 3.960 0.000 0.000 0.264 122 G HA3 -0.395 3.565 3.960 0.000 0.000 0.264 122 G C 0.344 175.263 174.900 0.031 0.000 0.975 122 G CA 0.601 45.713 45.100 0.020 0.000 0.642 122 G HN 0.318 nan 8.290 nan 0.000 0.536 123 R N 0.767 121.287 120.500 0.033 0.000 2.582 123 R HA 0.449 4.789 4.340 0.000 0.000 0.271 123 R C -2.099 174.248 176.300 0.079 0.000 1.078 123 R CA -1.386 54.743 56.100 0.049 0.000 1.127 123 R CB 0.148 30.474 30.300 0.045 0.000 1.038 123 R HN 0.136 nan 8.270 nan 0.000 0.500 124 P HA 0.039 nan 4.420 nan 0.000 0.270 124 P C -1.440 175.986 177.300 0.211 0.000 1.223 124 P CA 0.118 63.287 63.100 0.115 0.000 0.785 124 P CB 0.374 32.121 31.700 0.078 0.000 0.923 125 Y N -0.423 119.886 120.300 0.017 0.000 2.702 125 Y HA 0.516 5.066 4.550 0.000 0.000 0.336 125 Y C -1.711 174.196 175.900 0.011 0.000 1.203 125 Y CA -1.057 57.051 58.100 0.014 0.000 1.072 125 Y CB 1.001 39.472 38.460 0.018 0.000 1.327 125 Y HN 0.413 nan 8.280 nan 0.000 0.456 126 A N 4.760 127.172 122.820 -0.680 0.000 2.709 126 A HA 0.638 4.958 4.320 0.000 0.000 0.332 126 A C -3.011 174.231 177.584 -0.570 0.000 1.241 126 A CA -1.696 50.075 52.037 -0.443 0.000 0.782 126 A CB -0.053 18.749 19.000 -0.329 0.000 1.109 126 A HN 0.374 nan 8.150 nan 0.000 0.472 127 P HA 0.263 nan 4.420 nan 0.000 0.265 127 P C -0.239 177.129 177.300 0.114 0.000 1.222 127 P CA 0.326 63.509 63.100 0.138 0.000 0.767 127 P CB 0.822 32.707 31.700 0.310 0.000 0.801 128 V N 2.196 122.056 119.914 -0.089 0.000 3.007 128 V HA 0.767 4.887 4.120 0.000 0.000 0.311 128 V C -2.556 172.990 176.094 -0.914 0.000 1.120 128 V CA -2.944 59.066 62.300 -0.485 0.000 0.980 128 V CB 2.325 33.912 31.823 -0.393 0.000 1.033 128 V HN 0.259 nan 8.190 nan 0.000 0.429 129 P HA 0.206 nan 4.420 nan 0.000 0.277 129 P C -0.818 176.245 177.300 -0.395 0.000 1.276 129 P CA 0.024 62.504 63.100 -1.034 0.000 0.788 129 P CB 0.662 31.884 31.700 -0.797 0.000 1.114 130 D N -0.358 119.937 120.400 -0.175 0.000 2.389 130 D HA 0.076 4.716 4.640 0.000 0.000 0.247 130 D C -1.526 174.765 176.300 -0.014 0.000 1.128 130 D CA -1.569 52.393 54.000 -0.064 0.000 0.884 130 D CB 0.283 41.080 40.800 -0.004 0.000 1.194 130 D HN 0.077 nan 8.370 nan 0.000 0.441 131 P HA -0.172 nan 4.420 nan 0.000 0.214 131 P C 0.929 178.316 177.300 0.144 0.000 1.163 131 P CA 1.090 64.238 63.100 0.079 0.000 0.889 131 P CB 0.169 31.893 31.700 0.041 0.000 0.790 132 E N -0.556 119.693 120.200 0.081 0.000 2.077 132 E HA -0.106 4.244 4.350 0.000 0.000 0.193 132 E C 2.145 178.791 176.600 0.077 0.000 0.989 132 E CA 0.967 57.407 56.400 0.068 0.000 0.800 132 E CB -1.125 28.598 29.700 0.038 0.000 0.746 132 E HN 0.080 nan 8.360 nan 0.000 0.452 133 V N 1.461 121.424 119.914 0.081 0.000 2.295 133 V HA -0.246 3.874 4.120 0.000 0.000 0.246 133 V C 2.200 178.369 176.094 0.125 0.000 1.049 133 V CA 1.863 64.213 62.300 0.083 0.000 1.024 133 V CB -0.665 31.203 31.823 0.075 0.000 0.648 133 V HN 0.155 nan 8.190 nan 0.000 0.447 134 F N 1.403 121.354 119.950 0.002 0.000 2.091 134 F HA -0.242 4.285 4.527 0.000 0.000 0.299 134 F C 2.615 178.494 175.800 0.131 0.000 1.103 134 F CA 2.372 60.389 58.000 0.029 0.000 1.228 134 F CB -0.457 38.535 39.000 -0.014 0.000 0.984 134 F HN -0.045 nan 8.300 nan 0.000 0.477 135 R N 0.347 120.868 120.500 0.034 0.000 2.083 135 R HA -0.169 4.171 4.340 0.000 0.000 0.237 135 R C 2.408 178.670 176.300 -0.065 0.000 1.137 135 R CA 1.505 57.572 56.100 -0.055 0.000 0.951 135 R CB -0.801 29.515 30.300 0.027 0.000 0.851 135 R HN 0.407 nan 8.270 nan 0.000 0.434 136 A N 1.268 124.076 122.820 -0.021 0.000 1.865 136 A HA -0.164 4.156 4.320 0.000 0.000 0.217 136 A C 2.273 179.843 177.584 -0.024 0.000 1.191 136 A CA 1.452 53.477 52.037 -0.021 0.000 0.623 136 A CB -0.719 18.283 19.000 0.003 0.000 0.826 136 A HN 0.362 nan 8.150 nan 0.000 0.444 137 L N -2.126 119.086 121.223 -0.017 0.000 2.042 137 L HA -0.241 4.099 4.340 0.000 0.000 0.210 137 L C 2.643 179.497 176.870 -0.027 0.000 1.076 137 L CA 1.648 56.474 54.840 -0.022 0.000 0.749 137 L CB -0.541 41.516 42.059 -0.004 0.000 0.893 137 L HN 0.744 nan 8.230 nan 0.000 0.432 138 W N 1.523 122.637 121.300 -0.311 0.000 2.353 138 W HA -0.174 4.486 4.660 0.000 0.000 0.319 138 W C 2.764 179.127 176.519 -0.260 0.000 1.207 138 W CA 1.452 58.595 57.345 -0.336 0.000 1.291 138 W CB -0.637 28.542 29.460 -0.468 0.000 1.159 138 W HN 0.015 nan 8.180 nan 0.000 0.478 139 R N -0.378 120.106 120.500 -0.025 0.000 2.103 139 R HA -0.197 4.143 4.340 0.000 0.000 0.242 139 R C 2.338 178.586 176.300 -0.086 0.000 1.142 139 R CA 1.765 57.794 56.100 -0.118 0.000 0.960 139 R CB -0.379 29.843 30.300 -0.130 0.000 0.858 139 R HN -0.051 nan 8.270 nan 0.000 0.439 140 R N 0.226 120.683 120.500 -0.071 0.000 2.073 140 R HA -0.043 4.297 4.340 0.000 0.000 0.234 140 R C 2.225 178.445 176.300 -0.134 0.000 1.134 140 R CA 1.579 57.629 56.100 -0.083 0.000 0.952 140 R CB -1.028 29.240 30.300 -0.052 0.000 0.850 140 R HN 0.265 nan 8.270 nan 0.000 0.433 141 A N 1.323 124.047 122.820 -0.160 0.000 1.948 141 A HA -0.223 4.097 4.320 0.000 0.000 0.220 141 A C 2.103 179.535 177.584 -0.254 0.000 1.177 141 A CA 1.803 53.683 52.037 -0.262 0.000 0.636 141 A CB -0.410 18.279 19.000 -0.519 0.000 0.815 141 A HN 0.424 nan 8.150 nan 0.000 0.449 142 E N -0.487 119.614 120.200 -0.165 0.000 2.047 142 E HA -0.052 4.298 4.350 0.000 0.000 0.191 142 E C 2.425 178.993 176.600 -0.054 0.000 0.987 142 E CA 0.820 57.221 56.400 0.001 0.000 0.799 142 E CB -0.309 29.411 29.700 0.034 0.000 0.752 142 E HN 0.618 nan 8.360 nan 0.000 0.449 143 A N 1.501 124.263 122.820 -0.097 0.000 1.849 143 A HA -0.214 4.106 4.320 0.000 0.000 0.217 143 A C 2.170 179.658 177.584 -0.160 0.000 1.202 143 A CA 1.470 53.444 52.037 -0.104 0.000 0.629 143 A CB -1.032 17.911 19.000 -0.096 0.000 0.834 143 A HN 0.188 nan 8.150 nan 0.000 0.447 144 L N -0.559 120.492 121.223 -0.287 0.000 2.551 144 L HA -0.009 4.331 4.340 0.000 0.000 0.230 144 L C 1.697 178.249 176.870 -0.530 0.000 1.163 144 L CA 0.554 55.069 54.840 -0.541 0.000 0.826 144 L CB -0.898 40.547 42.059 -1.023 0.000 0.943 144 L HN 0.715 nan 8.230 nan 0.000 0.452 145 G N -0.777 107.876 108.800 -0.245 0.000 2.249 145 G HA2 -0.320 3.640 3.960 0.000 0.000 0.273 145 G HA3 -0.320 3.640 3.960 0.000 0.000 0.273 145 G C 0.002 174.987 174.900 0.141 0.000 1.036 145 G CA -0.238 44.845 45.100 -0.028 0.000 0.824 145 G HN 0.444 nan 8.290 nan 0.000 0.504 146 Y N 0.549 120.914 120.300 0.108 0.000 2.316 146 Y HA 0.367 4.917 4.550 0.000 0.000 0.331 146 Y C -1.307 174.731 175.900 0.230 0.000 1.083 146 Y CA -2.391 55.783 58.100 0.123 0.000 1.206 146 Y CB 1.257 39.766 38.460 0.082 0.000 1.195 146 Y HN 0.064 nan 8.280 nan 0.000 0.497 147 P HA -0.013 nan 4.420 nan 0.000 0.267 147 P C -1.051 176.404 177.300 0.258 0.000 1.209 147 P CA 0.765 64.000 63.100 0.226 0.000 0.763 147 P CB 0.558 32.328 31.700 0.117 0.000 0.816 148 H N 2.118 121.232 119.070 0.074 0.000 2.960 148 H HA 0.636 5.192 4.556 0.000 0.000 0.338 148 H C -0.616 174.711 175.328 -0.002 0.000 1.261 148 H CA -1.078 54.993 56.048 0.037 0.000 1.136 148 H CB 1.418 31.203 29.762 0.039 0.000 1.875 148 H HN 0.249 nan 8.280 nan 0.000 0.550 149 R N 0.441 120.953 120.500 0.020 0.000 2.744 149 R HA 0.552 4.892 4.340 0.000 0.000 0.279 149 R C -1.228 175.024 176.300 -0.079 0.000 0.977 149 R CA -1.068 54.990 56.100 -0.071 0.000 0.906 149 R CB 2.804 33.082 30.300 -0.037 0.000 1.197 149 R HN 0.453 nan 8.270 nan 0.000 0.463 150 V N 1.386 121.197 119.914 -0.172 0.000 2.483 150 V HA 0.847 4.967 4.120 0.000 0.000 0.297 150 V C 0.390 176.400 176.094 -0.139 0.000 1.027 150 V CA -0.338 61.806 62.300 -0.259 0.000 0.855 150 V CB 1.531 32.922 31.823 -0.720 0.000 0.995 150 V HN 1.027 nan 8.190 nan 0.000 0.424 151 G N 3.625 112.388 108.800 -0.060 0.000 2.335 151 G HA2 0.370 4.330 3.960 0.000 0.000 0.291 151 G HA3 0.370 4.330 3.960 0.000 0.000 0.291 151 G C -1.606 173.275 174.900 -0.032 0.000 1.261 151 G CA -0.973 44.101 45.100 -0.043 0.000 0.871 151 G HN 0.536 nan 8.290 nan 0.000 0.491 152 L N 0.725 121.924 121.223 -0.040 0.000 2.395 152 L HA 0.609 4.949 4.340 0.000 0.000 0.269 152 L C 0.758 177.572 176.870 -0.094 0.000 1.133 152 L CA -0.718 54.088 54.840 -0.056 0.000 0.812 152 L CB 1.238 43.265 42.059 -0.054 0.000 1.125 152 L HN 0.658 nan 8.230 nan 0.000 0.452 153 V N -0.150 119.689 119.914 -0.125 0.000 3.126 153 V HA 0.968 5.088 4.120 0.000 0.000 0.314 153 V C -0.517 175.382 176.094 -0.325 0.000 1.138 153 V CA -0.815 61.361 62.300 -0.208 0.000 1.034 153 V CB 1.844 33.589 31.823 -0.130 0.000 1.075 153 V HN 0.801 nan 8.190 nan 0.000 0.442 154 A N 1.109 123.625 122.820 -0.506 0.000 2.343 154 A HA 0.814 5.134 4.320 0.000 0.000 0.308 154 A C -0.152 177.217 177.584 -0.358 0.000 1.092 154 A CA -0.478 51.209 52.037 -0.584 0.000 0.751 154 A CB 1.353 19.689 19.000 -1.106 0.000 1.203 154 A HN 1.020 nan 8.150 nan 0.000 0.452 155 S N 2.052 117.605 115.700 -0.245 0.000 2.452 155 S HA 0.464 4.934 4.470 0.000 0.000 0.284 155 S C -0.040 174.505 174.600 -0.092 0.000 1.171 155 S CA -0.541 57.575 58.200 -0.141 0.000 1.064 155 S CB 0.589 63.704 63.200 -0.142 0.000 0.967 155 S HN 0.792 nan 8.310 nan 0.000 0.484 156 E N 1.848 122.037 120.200 -0.019 0.000 2.299 156 E HA 0.524 4.874 4.350 0.000 0.000 0.260 156 E C -0.872 175.738 176.600 0.017 0.000 0.944 156 E CA -0.884 55.523 56.400 0.011 0.000 0.815 156 E CB 0.979 30.718 29.700 0.065 0.000 1.252 156 E HN 0.213 nan 8.360 nan 0.000 0.418 157 D N 0.048 120.460 120.400 0.020 0.000 2.394 157 D HA 0.158 4.798 4.640 0.000 0.000 0.226 157 D C -0.018 176.310 176.300 0.046 0.000 0.990 157 D CA 0.558 54.573 54.000 0.025 0.000 0.902 157 D CB 0.562 41.373 40.800 0.018 0.000 1.038 157 D HN 0.493 nan 8.370 nan 0.000 0.499 158 A N 0.604 123.450 122.820 0.044 0.000 2.582 158 A HA 0.254 4.574 4.320 0.000 0.000 0.336 158 A C 0.536 178.145 177.584 0.040 0.000 1.445 158 A CA -0.558 51.517 52.037 0.063 0.000 0.997 158 A CB -0.611 18.420 19.000 0.052 0.000 1.148 158 A HN 0.069 nan 8.150 nan 0.000 0.514 159 F N 2.140 122.020 119.950 -0.117 0.000 2.087 159 F HA -0.259 4.268 4.527 0.000 0.000 0.299 159 F C 1.215 176.796 175.800 -0.364 0.000 1.100 159 F CA 2.252 60.085 58.000 -0.278 0.000 1.226 159 F CB -0.099 38.660 39.000 -0.401 0.000 0.983 159 F HN 0.678 nan 8.300 nan 0.000 0.479 160 Y N -0.782 119.597 120.300 0.132 0.000 2.471 160 Y HA 0.280 4.830 4.550 0.000 0.000 0.286 160 Y C 1.876 177.750 175.900 -0.043 0.000 1.188 160 Y CA 0.082 58.198 58.100 0.027 0.000 1.286 160 Y CB -0.338 38.188 38.460 0.110 0.000 1.072 160 Y HN 0.159 nan 8.280 nan 0.000 0.517 161 A N -0.789 122.049 122.820 0.030 0.000 1.956 161 A HA 0.042 4.362 4.320 0.000 0.000 0.212 161 A C 1.258 178.805 177.584 -0.061 0.000 1.188 161 A CA 0.320 52.362 52.037 0.008 0.000 0.675 161 A CB -0.497 18.514 19.000 0.019 0.000 0.845 161 A HN 0.138 nan 8.150 nan 0.000 0.455 162 T N 2.403 116.857 114.554 -0.166 0.000 2.867 162 T HA 0.372 4.722 4.350 0.000 0.000 0.297 162 T C 0.501 175.070 174.700 -0.219 0.000 0.989 162 T CA 0.711 62.663 62.100 -0.246 0.000 1.159 162 T CB 0.409 68.964 68.868 -0.522 0.000 0.928 162 T HN 0.580 nan 8.240 nan 0.000 0.538 163 T N 1.226 115.696 114.554 -0.140 0.000 2.944 163 T HA 0.425 4.775 4.350 0.000 0.000 0.284 163 T C -2.021 172.619 174.700 -0.100 0.000 1.010 163 T CA -2.312 59.729 62.100 -0.098 0.000 1.025 163 T CB 1.491 70.333 68.868 -0.043 0.000 1.079 163 T HN 0.089 nan 8.240 nan 0.000 0.516 164 P HA -0.086 nan 4.420 nan 0.000 0.216 164 P C 1.457 178.753 177.300 -0.006 0.000 1.150 164 P CA 0.939 64.012 63.100 -0.045 0.000 0.837 164 P CB 0.124 31.806 31.700 -0.030 0.000 0.786 165 E N 0.465 120.663 120.200 -0.003 0.000 2.038 165 E HA -0.244 4.106 4.350 0.000 0.000 0.195 165 E C 1.722 178.346 176.600 0.039 0.000 1.000 165 E CA 1.349 57.757 56.400 0.014 0.000 0.803 165 E CB -0.279 29.424 29.700 0.004 0.000 0.750 165 E HN 0.293 nan 8.360 nan 0.000 0.448 166 E N 0.301 120.528 120.200 0.045 0.000 2.110 166 E HA -0.170 4.180 4.350 0.000 0.000 0.193 166 E C 2.081 178.838 176.600 0.261 0.000 0.988 166 E CA 0.835 57.302 56.400 0.113 0.000 0.804 166 E CB -0.158 29.616 29.700 0.124 0.000 0.745 166 E HN 0.370 nan 8.360 nan 0.000 0.458 167 A N 1.738 124.662 122.820 0.172 0.000 1.877 167 A HA -0.199 4.121 4.320 0.000 0.000 0.216 167 A C 2.105 179.887 177.584 0.332 0.000 1.186 167 A CA 1.331 53.545 52.037 0.295 0.000 0.620 167 A CB -0.391 18.633 19.000 0.040 0.000 0.822 167 A HN 0.068 nan 8.150 nan 0.000 0.443 168 R N -0.666 119.940 120.500 0.178 0.000 2.096 168 R HA -0.075 4.265 4.340 0.000 0.000 0.235 168 R C 2.475 178.863 176.300 0.147 0.000 1.127 168 R CA 1.112 57.295 56.100 0.137 0.000 0.968 168 R CB -0.450 29.893 30.300 0.072 0.000 0.861 168 R HN 0.530 nan 8.270 nan 0.000 0.440 169 A N 0.232 123.131 122.820 0.131 0.000 1.902 169 A HA -0.180 4.140 4.320 0.000 0.000 0.217 169 A C 1.759 179.450 177.584 0.179 0.000 1.181 169 A CA 1.066 53.152 52.037 0.081 0.000 0.623 169 A CB -0.822 18.159 19.000 -0.033 0.000 0.818 169 A HN 0.461 nan 8.150 nan 0.000 0.443 170 W N -0.394 121.054 121.300 0.247 0.000 2.402 170 W HA 0.017 4.677 4.660 0.000 0.000 0.286 170 W C 2.678 179.321 176.519 0.207 0.000 1.221 170 W CA 1.037 58.529 57.345 0.244 0.000 1.257 170 W CB 0.026 29.608 29.460 0.203 0.000 1.120 170 W HN 0.402 nan 8.180 nan 0.000 0.551 171 A N 0.555 123.598 122.820 0.372 0.000 1.972 171 A HA -0.197 4.123 4.320 0.000 0.000 0.219 171 A C 1.838 179.503 177.584 0.135 0.000 1.169 171 A CA 1.419 53.584 52.037 0.214 0.000 0.635 171 A CB -0.633 18.461 19.000 0.156 0.000 0.810 171 A HN 0.327 nan 8.150 nan 0.000 0.446 172 R N -2.096 118.459 120.500 0.091 0.000 2.285 172 R HA -0.081 4.259 4.340 0.000 0.000 0.213 172 R C 0.451 176.609 176.300 -0.237 0.000 1.068 172 R CA 1.081 57.119 56.100 -0.103 0.000 1.004 172 R CB -0.261 29.914 30.300 -0.208 0.000 0.873 172 R HN 0.691 nan 8.270 nan 0.000 0.467 173 Y N -0.908 119.429 120.300 0.062 0.000 2.524 173 Y HA 0.263 4.813 4.550 0.000 0.000 0.266 173 Y C 1.447 177.401 175.900 0.090 0.000 1.180 173 Y CA 0.223 58.370 58.100 0.078 0.000 1.244 173 Y CB 1.114 39.647 38.460 0.121 0.000 1.125 173 Y HN 0.198 nan 8.280 nan 0.000 0.524 174 G N -0.322 108.573 108.800 0.158 0.000 2.175 174 G HA2 -0.273 3.687 3.960 0.000 0.000 0.244 174 G HA3 -0.273 3.687 3.960 0.000 0.000 0.244 174 G C -0.076 174.868 174.900 0.072 0.000 0.982 174 G CA 0.061 45.217 45.100 0.094 0.000 0.641 174 G HN 0.074 nan 8.290 nan 0.000 0.527 175 V N 2.529 122.510 119.914 0.110 0.000 2.421 175 V HA 0.262 4.382 4.120 0.000 0.000 0.271 175 V C 1.962 178.039 176.094 -0.030 0.000 1.031 175 V CA 0.501 62.787 62.300 -0.024 0.000 1.032 175 V CB 0.944 32.705 31.823 -0.103 0.000 1.009 175 V HN 0.348 nan 8.190 nan 0.000 0.477 176 L N 4.270 125.457 121.223 -0.060 0.000 2.068 176 L HA 0.266 4.606 4.340 0.000 0.000 0.204 176 L C 1.067 177.925 176.870 -0.020 0.000 1.076 176 L CA 1.467 56.292 54.840 -0.025 0.000 0.753 176 L CB -0.166 41.877 42.059 -0.026 0.000 0.910 176 L HN 0.764 nan 8.230 nan 0.000 0.439 177 A N -1.595 121.171 122.820 -0.090 0.000 2.602 177 A HA 0.664 4.984 4.320 0.000 0.000 0.290 177 A C -1.760 175.721 177.584 -0.171 0.000 1.114 177 A CA -0.510 51.513 52.037 -0.024 0.000 0.683 177 A CB 0.876 19.887 19.000 0.019 0.000 1.281 177 A HN -0.065 nan 8.150 nan 0.000 0.416 178 F N 0.582 120.477 119.950 -0.092 0.000 2.450 178 F HA 0.626 5.153 4.527 0.000 0.000 0.332 178 F C 0.625 176.368 175.800 -0.094 0.000 1.093 178 F CA 0.073 57.996 58.000 -0.128 0.000 1.003 178 F CB 2.161 41.062 39.000 -0.165 0.000 1.151 178 F HN 0.825 nan 8.300 nan 0.000 0.474 179 E N 0.715 120.949 120.200 0.057 0.000 2.421 179 E HA 0.620 4.970 4.350 0.000 0.000 0.265 179 E C -1.126 175.483 176.600 0.014 0.000 0.990 179 E CA -0.820 55.599 56.400 0.032 0.000 0.874 179 E CB 1.499 31.186 29.700 -0.021 0.000 1.646 179 E HN 0.489 nan 8.360 nan 0.000 0.451 180 M N -0.152 119.445 119.600 -0.004 0.000 2.848 180 M HA 0.383 4.864 4.480 0.000 0.000 0.420 180 M C -0.578 175.691 176.300 -0.053 0.000 1.304 180 M CA 0.143 55.434 55.300 -0.015 0.000 0.844 180 M CB 0.737 33.350 32.600 0.022 0.000 1.451 180 M HN 0.562 nan 8.290 nan 0.000 0.511 181 E N -0.039 120.104 120.200 -0.095 0.000 2.701 181 E HA 0.311 4.661 4.350 0.000 0.000 0.201 181 E C 1.779 178.250 176.600 -0.217 0.000 0.961 181 E CA 0.689 57.017 56.400 -0.120 0.000 1.659 181 E CB -0.030 29.614 29.700 -0.093 0.000 1.970 181 E HN 0.299 nan 8.360 nan 0.000 1.021 182 A N 1.480 124.108 122.820 -0.319 0.000 1.881 182 A HA -0.336 3.984 4.320 0.000 0.000 0.219 182 A C 2.289 179.395 177.584 -0.796 0.000 1.215 182 A CA 3.139 54.770 52.037 -0.677 0.000 0.648 182 A CB -1.338 17.259 19.000 -0.672 0.000 0.832 182 A HN 0.350 nan 8.150 nan 0.000 0.455 183 S N 0.278 115.723 115.700 -0.426 0.000 2.372 183 S HA -0.150 4.321 4.470 0.000 0.000 0.227 183 S C 2.095 176.633 174.600 -0.103 0.000 1.044 183 S CA 2.094 60.175 58.200 -0.199 0.000 1.050 183 S CB -1.009 62.142 63.200 -0.083 0.000 0.901 183 S HN 1.250 nan 8.310 nan 0.000 0.447 184 A N 1.489 124.245 122.820 -0.107 0.000 1.969 184 A HA 0.161 4.481 4.320 0.000 0.000 0.218 184 A C 2.235 179.778 177.584 -0.067 0.000 1.169 184 A CA 1.400 53.407 52.037 -0.049 0.000 0.635 184 A CB -0.793 18.202 19.000 -0.009 0.000 0.810 184 A HN 0.544 nan 8.150 nan 0.000 0.445 185 L N -0.742 120.407 121.223 -0.123 0.000 2.017 185 L HA -0.067 4.273 4.340 0.000 0.000 0.208 185 L C 2.256 179.199 176.870 0.121 0.000 1.073 185 L CA 1.877 56.685 54.840 -0.052 0.000 0.745 185 L CB -0.819 41.166 42.059 -0.124 0.000 0.894 185 L HN 0.476 nan 8.230 nan 0.000 0.432 186 F N -1.489 118.464 119.950 0.005 0.000 2.134 186 F HA -0.249 4.278 4.527 0.000 0.000 0.299 186 F C 2.358 178.187 175.800 0.050 0.000 1.097 186 F CA 0.606 58.621 58.000 0.024 0.000 1.264 186 F CB -0.354 38.662 39.000 0.027 0.000 1.001 186 F HN 0.248 nan 8.300 nan 0.000 0.479 187 L N 0.871 122.232 121.223 0.230 0.000 1.994 187 L HA -0.190 4.150 4.340 0.000 0.000 0.208 187 L C 2.029 178.857 176.870 -0.070 0.000 1.071 187 L CA 1.727 56.607 54.840 0.067 0.000 0.745 187 L CB -0.911 41.087 42.059 -0.102 0.000 0.892 187 L HN 0.085 nan 8.230 nan 0.000 0.431 188 L N -0.594 120.557 121.223 -0.121 0.000 2.191 188 L HA -0.102 4.238 4.340 0.000 0.000 0.212 188 L C 2.505 179.342 176.870 -0.056 0.000 1.103 188 L CA 0.990 55.730 54.840 -0.167 0.000 0.769 188 L CB -1.338 40.618 42.059 -0.172 0.000 0.908 188 L HN 0.499 nan 8.230 nan 0.000 0.438 189 G N -0.226 108.589 108.800 0.025 0.000 2.446 189 G HA2 -0.234 3.726 3.960 0.000 0.000 0.217 189 G HA3 -0.234 3.726 3.960 0.000 0.000 0.217 189 G C 1.769 176.685 174.900 0.027 0.000 1.168 189 G CA 0.323 45.451 45.100 0.048 0.000 0.771 189 G HN 0.151 nan 8.290 nan 0.000 0.551 190 R N -0.258 120.265 120.500 0.040 0.000 2.073 190 R HA 0.203 4.543 4.340 0.000 0.000 0.229 190 R C 2.697 178.996 176.300 -0.001 0.000 1.120 190 R CA 0.718 56.840 56.100 0.036 0.000 0.967 190 R CB -0.765 29.595 30.300 0.100 0.000 0.862 190 R HN 0.412 nan 8.270 nan 0.000 0.436 191 M N 0.295 119.868 119.600 -0.045 0.000 2.117 191 M HA -0.114 4.366 4.480 0.000 0.000 0.262 191 M C 1.496 177.763 176.300 -0.055 0.000 1.065 191 M CA 1.561 56.815 55.300 -0.077 0.000 1.114 191 M CB -0.019 32.481 32.600 -0.166 0.000 1.361 191 M HN -0.130 nan 8.290 nan 0.000 0.408 192 R N -0.115 120.355 120.500 -0.050 0.000 2.334 192 R HA 0.230 4.570 4.340 0.000 0.000 0.216 192 R C 0.941 177.233 176.300 -0.013 0.000 0.905 192 R CA 0.567 56.648 56.100 -0.031 0.000 1.064 192 R CB -0.567 29.713 30.300 -0.034 0.000 1.046 192 R HN 0.561 nan 8.270 nan 0.000 0.508 193 G N 1.292 110.088 108.800 -0.007 0.000 2.198 193 G HA2 -0.267 3.693 3.960 0.000 0.000 0.257 193 G HA3 -0.267 3.693 3.960 0.000 0.000 0.257 193 G C 0.198 175.101 174.900 0.006 0.000 1.042 193 G CA 0.520 45.621 45.100 0.001 0.000 0.791 193 G HN 0.267 nan 8.290 nan 0.000 0.502 194 V N -3.904 116.016 119.914 0.010 0.000 3.019 194 V HA 0.863 4.983 4.120 0.000 0.000 0.317 194 V C 0.413 176.523 176.094 0.026 0.000 1.094 194 V CA -1.961 60.349 62.300 0.018 0.000 1.000 194 V CB 1.616 33.451 31.823 0.019 0.000 1.060 194 V HN 0.294 nan 8.190 nan 0.000 0.443 195 R N 1.663 122.181 120.500 0.030 0.000 2.221 195 R HA 0.617 4.957 4.340 0.000 0.000 0.327 195 R C -0.013 176.321 176.300 0.056 0.000 1.033 195 R CA 0.022 56.143 56.100 0.035 0.000 0.887 195 R CB 1.295 31.614 30.300 0.032 0.000 1.057 195 R HN 1.054 nan 8.270 nan 0.000 0.455 196 T N -0.894 113.702 114.554 0.071 0.000 2.924 196 T HA 0.849 5.199 4.350 0.000 0.000 0.291 196 T C 0.101 174.887 174.700 0.143 0.000 1.045 196 T CA -0.885 61.295 62.100 0.134 0.000 1.015 196 T CB 2.408 71.411 68.868 0.225 0.000 1.103 196 T HN 0.623 nan 8.240 nan 0.000 0.496 197 G N -0.636 108.308 108.800 0.241 0.000 2.660 197 G HA2 0.795 4.755 3.960 0.000 0.000 0.290 197 G HA3 0.795 4.755 3.960 0.000 0.000 0.290 197 G C -1.751 173.364 174.900 0.357 0.000 1.432 197 G CA -0.556 44.705 45.100 0.269 0.000 0.807 197 G HN 1.289 nan 8.290 nan 0.000 0.485 198 A N -0.092 122.942 122.820 0.358 0.000 2.488 198 A HA 0.775 5.095 4.320 0.000 0.000 0.295 198 A C -1.439 176.246 177.584 0.170 0.000 1.045 198 A CA -0.453 51.726 52.037 0.237 0.000 0.703 198 A CB 1.427 20.551 19.000 0.207 0.000 1.271 198 A HN 1.472 nan 8.150 nan 0.000 0.400 199 I N 2.501 123.127 120.570 0.094 0.000 2.582 199 I HA 0.753 4.924 4.170 0.000 0.000 0.292 199 I C -1.671 174.470 176.117 0.041 0.000 1.066 199 I CA -1.127 60.212 61.300 0.065 0.000 1.053 199 I CB 1.579 39.606 38.000 0.045 0.000 1.241 199 I HN 0.676 nan 8.210 nan 0.000 0.421 200 L N 6.588 127.832 121.223 0.035 0.000 2.350 200 L HA 0.855 5.195 4.340 0.000 0.000 0.260 200 L C -0.695 176.187 176.870 0.019 0.000 1.015 200 L CA -0.802 54.050 54.840 0.021 0.000 0.821 200 L CB 1.983 44.050 42.059 0.014 0.000 1.370 200 L HN 0.633 nan 8.230 nan 0.000 0.416 201 A N 1.100 123.926 122.820 0.010 0.000 2.319 201 A HA 0.670 4.990 4.320 0.000 0.000 0.310 201 A C -0.657 176.929 177.584 0.004 0.000 1.152 201 A CA -0.543 51.497 52.037 0.004 0.000 0.783 201 A CB 1.268 20.262 19.000 -0.011 0.000 1.184 201 A HN 0.362 nan 8.150 nan 0.000 0.474 202 V N 3.408 123.327 119.914 0.008 0.000 2.450 202 V HA 0.089 4.209 4.120 0.000 0.000 0.281 202 V C 1.476 177.574 176.094 0.005 0.000 1.019 202 V CA 1.292 63.599 62.300 0.012 0.000 1.062 202 V CB 0.568 32.400 31.823 0.015 0.000 0.979 202 V HN 1.124 nan 8.190 nan 0.000 0.477 203 S N 3.187 118.893 115.700 0.011 0.000 2.511 203 S HA 0.170 4.640 4.470 0.000 0.000 0.214 203 S C 0.495 175.103 174.600 0.012 0.000 0.997 203 S CA 0.081 58.284 58.200 0.005 0.000 0.908 203 S CB 0.012 63.216 63.200 0.008 0.000 0.803 203 S HN 0.924 nan 8.310 nan 0.000 0.504 204 N N 0.350 119.060 118.700 0.017 0.000 3.413 204 N HA 0.223 4.963 4.740 0.000 0.000 0.273 204 N C -1.977 173.536 175.510 0.006 0.000 1.458 204 N CA -0.795 52.262 53.050 0.012 0.000 0.860 204 N CB 0.688 39.187 38.487 0.019 0.000 1.556 204 N HN 0.131 nan 8.380 nan 0.000 0.475 205 R N 0.114 120.611 120.500 -0.005 0.000 2.562 205 R HA 0.496 4.836 4.340 0.000 0.000 0.298 205 R C -0.044 176.227 176.300 -0.048 0.000 0.961 205 R CA -1.011 55.083 56.100 -0.010 0.000 0.881 205 R CB 1.520 31.819 30.300 -0.001 0.000 1.159 205 R HN 0.458 nan 8.270 nan 0.000 0.450 206 I N 2.683 123.208 120.570 -0.075 0.000 2.943 206 I HA -0.118 4.052 4.170 0.000 0.000 0.296 206 I C 1.425 177.470 176.117 -0.120 0.000 1.220 206 I CA 1.571 62.772 61.300 -0.165 0.000 1.409 206 I CB -0.301 37.567 38.000 -0.221 0.000 1.374 206 I HN 1.124 nan 8.210 nan 0.000 0.545 207 G N 5.435 114.158 108.800 -0.128 0.000 2.253 207 G HA2 -0.170 3.790 3.960 0.000 0.000 0.209 207 G HA3 -0.170 3.790 3.960 0.000 0.000 0.209 207 G C 0.049 174.933 174.900 -0.027 0.000 0.997 207 G CA -0.491 44.568 45.100 -0.068 0.000 0.640 207 G HN 0.525 nan 8.290 nan 0.000 0.496 208 D N 1.536 121.923 120.400 -0.023 0.000 2.424 208 D HA 0.400 5.040 4.640 0.000 0.000 0.244 208 D C -0.879 175.443 176.300 0.036 0.000 1.134 208 D CA -0.746 53.258 54.000 0.006 0.000 0.881 208 D CB 1.415 42.219 40.800 0.007 0.000 1.191 208 D HN 0.120 nan 8.370 nan 0.000 0.445 209 P HA -0.035 nan 4.420 nan 0.000 0.217 209 P C -0.047 177.300 177.300 0.078 0.000 1.151 209 P CA 1.018 64.158 63.100 0.067 0.000 0.828 209 P CB 0.543 32.268 31.700 0.042 0.000 0.788 210 E N -1.613 118.619 120.200 0.053 0.000 2.339 210 E HA 0.434 4.784 4.350 0.000 0.000 0.262 210 E C -0.253 176.370 176.600 0.040 0.000 0.934 210 E CA -0.966 55.461 56.400 0.046 0.000 0.802 210 E CB 1.383 31.098 29.700 0.026 0.000 1.275 210 E HN -0.122 nan 8.360 nan 0.000 0.427 211 L N 0.761 122.003 121.223 0.031 0.000 2.543 211 L HA 0.441 4.781 4.340 0.000 0.000 0.231 211 L C 0.564 177.438 176.870 0.007 0.000 1.194 211 L CA -0.594 54.259 54.840 0.022 0.000 0.823 211 L CB 0.223 42.289 42.059 0.011 0.000 1.374 211 L HN 0.580 nan 8.230 nan 0.000 0.507 212 A N -0.105 122.714 122.820 -0.001 0.000 2.296 212 A HA 0.444 4.764 4.320 0.000 0.000 0.264 212 A C -2.282 175.292 177.584 -0.016 0.000 1.097 212 A CA -1.146 50.886 52.037 -0.008 0.000 0.811 212 A CB -0.702 18.292 19.000 -0.011 0.000 1.072 212 A HN 0.444 nan 8.150 nan 0.000 0.495 213 P HA 0.095 nan 4.420 nan 0.000 0.264 213 P C -1.946 175.334 177.300 -0.034 0.000 1.183 213 P CA -0.648 62.440 63.100 -0.021 0.000 0.763 213 P CB 0.062 31.752 31.700 -0.017 0.000 0.807 214 P HA -0.269 nan 4.420 nan 0.000 0.218 214 P C 1.335 178.593 177.300 -0.069 0.000 1.154 214 P CA 1.530 64.596 63.100 -0.058 0.000 0.872 214 P CB 0.180 31.849 31.700 -0.051 0.000 0.790 215 E N -0.909 119.260 120.200 -0.052 0.000 2.170 215 E HA -0.076 4.274 4.350 0.000 0.000 0.191 215 E C 1.804 178.375 176.600 -0.050 0.000 0.981 215 E CA 0.605 56.974 56.400 -0.051 0.000 0.830 215 E CB -1.000 28.680 29.700 -0.033 0.000 0.775 215 E HN -0.073 nan 8.360 nan 0.000 0.470 216 V N 0.946 120.836 119.914 -0.040 0.000 2.287 216 V HA -0.240 3.880 4.120 0.000 0.000 0.248 216 V C 2.414 178.480 176.094 -0.047 0.000 1.053 216 V CA 1.795 64.074 62.300 -0.035 0.000 1.027 216 V CB -0.680 31.128 31.823 -0.025 0.000 0.646 216 V HN 0.292 nan 8.190 nan 0.000 0.447 217 L N -0.020 121.170 121.223 -0.055 0.000 2.044 217 L HA -0.114 4.227 4.340 0.000 0.000 0.205 217 L C 2.457 179.267 176.870 -0.099 0.000 1.075 217 L CA 2.021 56.821 54.840 -0.067 0.000 0.747 217 L CB -0.907 41.112 42.059 -0.066 0.000 0.903 217 L HN 0.332 nan 8.230 nan 0.000 0.435 218 Q N 0.077 119.801 119.800 -0.126 0.000 2.112 218 Q HA -0.288 4.052 4.340 0.000 0.000 0.206 218 Q C 2.164 178.083 176.000 -0.136 0.000 0.987 218 Q CA 2.173 57.863 55.803 -0.189 0.000 0.858 218 Q CB -0.348 28.273 28.738 -0.194 0.000 0.905 218 Q HN 0.621 nan 8.270 nan 0.000 0.420 219 E N -1.042 119.108 120.200 -0.083 0.000 2.106 219 E HA -0.067 4.283 4.350 0.000 0.000 0.192 219 E C 1.807 178.359 176.600 -0.081 0.000 0.984 219 E CA 1.611 57.974 56.400 -0.060 0.000 0.806 219 E CB -0.944 28.722 29.700 -0.056 0.000 0.750 219 E HN 0.438 nan 8.360 nan 0.000 0.458 220 G N -0.003 108.749 108.800 -0.080 0.000 2.418 220 G HA2 -0.205 3.755 3.960 0.000 0.000 0.217 220 G HA3 -0.205 3.755 3.960 0.000 0.000 0.217 220 G C 1.718 176.586 174.900 -0.054 0.000 1.158 220 G CA 0.977 46.032 45.100 -0.074 0.000 0.771 220 G HN 0.259 nan 8.290 nan 0.000 0.545 221 V N 0.538 120.416 119.914 -0.060 0.000 2.407 221 V HA -0.134 3.986 4.120 0.000 0.000 0.248 221 V C 2.770 178.914 176.094 0.084 0.000 1.055 221 V CA 2.007 64.286 62.300 -0.035 0.000 1.049 221 V CB -0.429 31.306 31.823 -0.146 0.000 0.662 221 V HN 0.382 nan 8.190 nan 0.000 0.455 222 R N 0.137 120.719 120.500 0.137 0.000 2.066 222 R HA -0.135 4.205 4.340 0.000 0.000 0.232 222 R C 2.577 179.014 176.300 0.229 0.000 1.131 222 R CA 1.512 57.859 56.100 0.412 0.000 0.955 222 R CB -0.151 30.387 30.300 0.398 0.000 0.851 222 R HN 0.442 nan 8.270 nan 0.000 0.432 223 R N 0.160 120.660 120.500 -0.001 0.000 2.096 223 R HA -0.154 4.186 4.340 0.000 0.000 0.235 223 R C 2.416 178.764 176.300 0.080 0.000 1.127 223 R CA 1.833 57.836 56.100 -0.163 0.000 0.968 223 R CB -0.435 29.482 30.300 -0.639 0.000 0.861 223 R HN 0.355 nan 8.270 nan 0.000 0.440 224 M N 0.787 120.409 119.600 0.036 0.000 2.067 224 M HA -0.155 4.325 4.480 0.000 0.000 0.260 224 M C 1.980 178.278 176.300 -0.003 0.000 1.069 224 M CA 1.719 57.041 55.300 0.037 0.000 1.117 224 M CB -0.007 32.604 32.600 0.019 0.000 1.334 224 M HN -0.044 nan 8.290 nan 0.000 0.407 225 V N 0.828 120.712 119.914 -0.049 0.000 2.343 225 V HA -0.273 3.847 4.120 0.000 0.000 0.247 225 V C 2.329 178.207 176.094 -0.361 0.000 1.051 225 V CA 2.374 64.519 62.300 -0.258 0.000 1.036 225 V CB -1.013 30.536 31.823 -0.457 0.000 0.654 225 V HN 0.628 nan 8.190 nan 0.000 0.451 226 E N -0.010 120.088 120.200 -0.170 0.000 2.077 226 E HA -0.188 4.162 4.350 0.000 0.000 0.193 226 E C 2.201 178.802 176.600 0.001 0.000 0.989 226 E CA 1.551 57.942 56.400 -0.014 0.000 0.800 226 E CB -0.002 29.886 29.700 0.313 0.000 0.746 226 E HN 0.425 nan 8.360 nan 0.000 0.452 227 V N 1.101 121.052 119.914 0.061 0.000 2.343 227 V HA -0.257 3.863 4.120 0.000 0.000 0.247 227 V C 2.407 178.481 176.094 -0.034 0.000 1.051 227 V CA 1.773 64.091 62.300 0.029 0.000 1.036 227 V CB -0.678 31.183 31.823 0.063 0.000 0.654 227 V HN 0.435 nan 8.190 nan 0.000 0.451 228 A N -0.296 122.483 122.820 -0.069 0.000 1.902 228 A HA -0.133 4.187 4.320 0.000 0.000 0.217 228 A C 2.215 179.717 177.584 -0.137 0.000 1.181 228 A CA 1.680 53.666 52.037 -0.085 0.000 0.623 228 A CB -0.497 18.448 19.000 -0.091 0.000 0.818 228 A HN 0.490 nan 8.150 nan 0.000 0.443 229 L N -0.524 120.537 121.223 -0.270 0.000 2.017 229 L HA -0.186 4.154 4.340 0.000 0.000 0.208 229 L C 2.717 179.472 176.870 -0.192 0.000 1.073 229 L CA 1.402 55.979 54.840 -0.439 0.000 0.745 229 L CB -0.607 40.827 42.059 -1.042 0.000 0.894 229 L HN 0.375 nan 8.230 nan 0.000 0.432 230 E N 0.272 120.434 120.200 -0.064 0.000 2.077 230 E HA -0.223 4.127 4.350 0.000 0.000 0.193 230 E C 2.279 178.903 176.600 0.041 0.000 0.989 230 E CA 1.453 57.901 56.400 0.081 0.000 0.800 230 E CB -0.250 29.489 29.700 0.065 0.000 0.746 230 E HN 0.495 nan 8.360 nan 0.000 0.452 231 A N 1.557 124.377 122.820 0.001 0.000 1.902 231 A HA -0.151 4.169 4.320 0.000 0.000 0.217 231 A C 2.601 180.194 177.584 0.016 0.000 1.181 231 A CA 1.986 54.026 52.037 0.004 0.000 0.623 231 A CB -0.893 18.105 19.000 -0.003 0.000 0.818 231 A HN 0.210 nan 8.150 nan 0.000 0.443 232 V N -2.668 117.251 119.914 0.008 0.000 2.594 232 V HA -0.154 3.966 4.120 0.000 0.000 0.253 232 V C 2.112 178.231 176.094 0.042 0.000 1.069 232 V CA 1.798 64.111 62.300 0.022 0.000 1.082 232 V CB -0.923 30.905 31.823 0.009 0.000 0.680 232 V HN 0.249 nan 8.190 nan 0.000 0.469 233 L N 0.303 121.565 121.223 0.065 0.000 2.376 233 L HA 0.085 4.425 4.340 0.000 0.000 0.219 233 L C 2.596 179.498 176.870 0.053 0.000 1.133 233 L CA 1.383 56.272 54.840 0.082 0.000 0.816 233 L CB -0.867 41.274 42.059 0.137 0.000 0.933 233 L HN 0.351 nan 8.230 nan 0.000 0.449 234 E N -0.584 119.640 120.200 0.040 0.000 2.216 234 E HA 0.021 4.371 4.350 0.000 0.000 0.192 234 E C 0.795 177.408 176.600 0.021 0.000 0.988 234 E CA 0.562 56.977 56.400 0.025 0.000 0.834 234 E CB 0.075 29.783 29.700 0.014 0.000 0.772 234 E HN 0.369 nan 8.360 nan 0.000 0.479 235 V N 0.000 119.929 119.914 0.026 0.000 2.409 235 V HA 0.000 4.120 4.120 0.000 0.000 0.244 235 V CA 0.000 62.315 62.300 0.024 0.000 1.235 235 V CB 0.000 31.840 31.823 0.028 0.000 1.184 235 V HN 0.000 nan 8.190 nan 0.000 0.556