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 1odi_1_C 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 0.000 174.502 174.600 -0.163 0.000 1.055 2 S CA 0.000 57.993 58.200 -0.344 0.000 1.107 2 S CB 0.000 62.920 63.200 -0.467 0.000 0.593 3 P HA 0.326 nan 4.420 nan 0.000 0.269 3 P C 0.907 178.184 177.300 -0.038 0.000 1.217 3 P CA -0.379 62.700 63.100 -0.035 0.000 0.783 3 P CB 0.307 32.015 31.700 0.012 0.000 0.898 4 I N 0.151 120.712 120.570 -0.014 0.000 2.546 4 I HA -0.221 3.949 4.170 -0.000 0.000 0.255 4 I C 1.267 177.211 176.117 -0.288 0.000 1.163 4 I CA 1.442 62.643 61.300 -0.165 0.000 1.457 4 I CB -0.386 37.481 38.000 -0.222 0.000 1.092 4 I HN 0.482 nan 8.210 nan 0.000 0.434 5 H N -1.142 117.984 119.070 0.092 0.000 2.426 5 H HA 0.245 4.801 4.556 -0.000 0.000 0.286 5 H C 0.449 175.902 175.328 0.207 0.000 0.990 5 H CA 0.108 56.266 56.048 0.182 0.000 1.237 5 H CB 0.229 30.064 29.762 0.121 0.000 1.466 5 H HN -0.117 nan 8.280 nan 0.000 0.525 6 V N 3.435 123.506 119.914 0.261 0.000 2.258 6 V HA 0.176 4.296 4.120 -0.000 0.000 0.258 6 V C 0.080 176.257 176.094 0.139 0.000 1.121 6 V CA -0.230 62.199 62.300 0.216 0.000 0.942 6 V CB 0.038 31.985 31.823 0.206 0.000 1.170 6 V HN 0.292 nan 8.190 nan 0.000 0.487 7 R N 3.409 123.973 120.500 0.106 0.000 3.206 7 R HA 0.464 4.804 4.340 -0.000 0.000 0.209 7 R C 0.347 176.704 176.300 0.095 0.000 1.632 7 R CA 0.095 56.208 56.100 0.022 0.000 1.234 7 R CB 0.151 30.415 30.300 -0.059 0.000 1.270 7 R HN 0.723 nan 8.270 nan 0.000 0.665 8 A N 1.568 124.411 122.820 0.038 0.000 2.384 8 A HA 0.598 4.918 4.320 -0.000 0.000 0.312 8 A C -1.080 176.432 177.584 -0.121 0.000 1.113 8 A CA -0.787 51.291 52.037 0.067 0.000 0.779 8 A CB 1.002 19.995 19.000 -0.011 0.000 1.307 8 A HN 0.588 nan 8.150 nan 0.000 0.436 9 H N -0.013 119.034 119.070 -0.037 0.000 2.621 9 H HA 0.516 5.072 4.556 -0.000 0.000 0.360 9 H C -2.562 172.729 175.328 -0.062 0.000 1.163 9 H CA -1.728 54.297 56.048 -0.038 0.000 1.194 9 H CB 0.994 30.743 29.762 -0.022 0.000 1.649 9 H HN 0.385 nan 8.280 nan 0.000 0.532 10 P HA -0.068 nan 4.420 nan 0.000 0.257 10 P C 0.768 178.068 177.300 0.001 0.000 1.153 10 P CA 2.051 65.153 63.100 0.003 0.000 0.762 10 P CB 0.235 31.945 31.700 0.017 0.000 0.743 11 G N 3.078 111.858 108.800 -0.034 0.000 2.259 11 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 11 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 11 G C 0.993 175.855 174.900 -0.065 0.000 1.001 11 G CA 0.198 45.279 45.100 -0.032 0.000 0.627 11 G HN 0.453 nan 8.290 nan 0.000 0.501 12 D N 0.382 120.706 120.400 -0.126 0.000 2.103 12 D HA 0.083 4.723 4.640 -0.000 0.000 0.199 12 D C 1.461 177.508 176.300 -0.422 0.000 0.978 12 D CA 1.359 55.209 54.000 -0.250 0.000 0.829 12 D CB 0.018 40.598 40.800 -0.368 0.000 0.981 12 D HN 0.377 nan 8.370 nan 0.000 0.464 13 V N 1.399 121.050 119.914 -0.439 0.000 2.465 13 V HA 0.485 4.605 4.120 -0.000 0.000 0.279 13 V C 0.592 176.619 176.094 -0.113 0.000 1.045 13 V CA -0.873 61.233 62.300 -0.322 0.000 0.938 13 V CB 1.306 32.964 31.823 -0.274 0.000 0.986 13 V HN 0.094 nan 8.190 nan 0.000 0.467 14 A N 3.208 126.009 122.820 -0.032 0.000 2.259 14 A HA 0.415 4.735 4.320 -0.000 0.000 0.278 14 A C 1.121 178.711 177.584 0.010 0.000 1.107 14 A CA -0.249 51.791 52.037 0.006 0.000 0.828 14 A CB 0.256 19.282 19.000 0.043 0.000 1.111 14 A HN 0.918 nan 8.150 nan 0.000 0.498 15 E N -0.140 120.070 120.200 0.017 0.000 2.051 15 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 15 E C 0.191 176.808 176.600 0.028 0.000 0.991 15 E CA 0.947 57.358 56.400 0.018 0.000 0.799 15 E CB -0.005 29.707 29.700 0.020 0.000 0.748 15 E HN 0.536 nan 8.360 nan 0.000 0.449 16 R N 0.638 121.160 120.500 0.036 0.000 2.308 16 R HA 0.327 4.667 4.340 -0.000 0.000 0.305 16 R C -0.859 175.470 176.300 0.049 0.000 1.053 16 R CA -0.292 55.832 56.100 0.040 0.000 0.957 16 R CB 1.581 31.907 30.300 0.042 0.000 1.022 16 R HN -0.114 nan 8.270 nan 0.000 0.461 17 V N 4.221 124.164 119.914 0.048 0.000 2.888 17 V HA 0.400 4.520 4.120 -0.000 0.000 0.309 17 V C -0.416 175.708 176.094 0.049 0.000 1.114 17 V CA -0.959 61.379 62.300 0.065 0.000 0.940 17 V CB 2.276 34.147 31.823 0.080 0.000 1.021 17 V HN 0.576 nan 8.190 nan 0.000 0.426 18 L N 4.159 125.412 121.223 0.049 0.000 2.325 18 L HA 0.596 4.936 4.340 -0.000 0.000 0.278 18 L C -0.711 176.192 176.870 0.055 0.000 1.023 18 L CA -0.593 54.263 54.840 0.026 0.000 0.811 18 L CB 1.792 43.840 42.059 -0.019 0.000 1.249 18 L HN 0.493 nan 8.230 nan 0.000 0.431 19 L N 5.017 126.267 121.223 0.044 0.000 2.506 19 L HA 0.338 4.678 4.340 -0.000 0.000 0.247 19 L C -2.223 174.669 176.870 0.036 0.000 1.141 19 L CA -1.558 53.311 54.840 0.049 0.000 0.973 19 L CB 0.771 42.853 42.059 0.038 0.000 1.319 19 L HN 0.308 nan 8.230 nan 0.000 0.455 20 P HA 0.108 nan 4.420 nan 0.000 0.278 20 P C 0.636 177.952 177.300 0.026 0.000 1.238 20 P CA -0.116 63.007 63.100 0.038 0.000 0.794 20 P CB 2.060 33.799 31.700 0.065 0.000 0.955 21 G N 1.516 110.317 108.800 0.002 0.000 2.408 21 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.215 21 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.215 21 G C 0.343 175.225 174.900 -0.029 0.000 1.156 21 G CA 0.378 45.469 45.100 -0.016 0.000 0.793 21 G HN 0.526 nan 8.290 nan 0.000 0.535 22 D N 0.467 120.851 120.400 -0.027 0.000 2.295 22 D HA 0.228 4.868 4.640 -0.000 0.000 0.248 22 D C -1.030 175.255 176.300 -0.025 0.000 1.154 22 D CA -2.519 51.451 54.000 -0.051 0.000 0.857 22 D CB 2.150 42.919 40.800 -0.053 0.000 1.117 22 D HN 0.025 nan 8.370 nan 0.000 0.468 23 P HA -0.034 nan 4.420 nan 0.000 0.223 23 P C 1.252 178.580 177.300 0.047 0.000 1.151 23 P CA 0.610 63.665 63.100 -0.075 0.000 0.787 23 P CB 0.256 31.677 31.700 -0.464 0.000 0.788 24 G N 0.521 109.297 108.800 -0.041 0.000 2.408 24 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 24 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 24 G C 1.909 176.915 174.900 0.177 0.000 1.150 24 G CA 0.284 45.431 45.100 0.078 0.000 0.776 24 G HN 0.242 nan 8.290 nan 0.000 0.542 25 R N 0.353 120.929 120.500 0.127 0.000 2.090 25 R HA 0.123 4.463 4.340 -0.000 0.000 0.228 25 R C 2.870 179.333 176.300 0.271 0.000 1.110 25 R CA 1.166 57.379 56.100 0.189 0.000 0.973 25 R CB -0.284 30.072 30.300 0.094 0.000 0.869 25 R HN 0.272 nan 8.270 nan 0.000 0.440 26 A N 1.232 124.186 122.820 0.225 0.000 1.865 26 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 26 A C 2.012 179.631 177.584 0.057 0.000 1.191 26 A CA 1.827 53.998 52.037 0.223 0.000 0.623 26 A CB -0.698 18.524 19.000 0.370 0.000 0.826 26 A HN 0.593 nan 8.150 nan 0.000 0.444 27 E N -1.577 118.732 120.200 0.180 0.000 2.058 27 E HA -0.282 4.068 4.350 -0.000 0.000 0.194 27 E C 1.856 178.406 176.600 -0.083 0.000 0.997 27 E CA 1.663 58.004 56.400 -0.098 0.000 0.801 27 E CB -0.359 29.572 29.700 0.385 0.000 0.746 27 E HN 0.759 nan 8.360 nan 0.000 0.450 28 W N 1.260 122.544 121.300 -0.026 0.000 2.338 28 W HA -0.169 4.491 4.660 -0.000 0.000 0.304 28 W C 1.897 178.441 176.519 0.042 0.000 1.212 28 W CA 1.865 59.217 57.345 0.011 0.000 1.264 28 W CB -0.281 29.210 29.460 0.051 0.000 1.142 28 W HN 0.083 nan 8.180 nan 0.000 0.512 29 I N 0.626 121.248 120.570 0.086 0.000 2.226 29 I HA -0.317 3.853 4.170 -0.000 0.000 0.245 29 I C 2.640 178.679 176.117 -0.129 0.000 1.100 29 I CA 1.441 62.698 61.300 -0.071 0.000 1.374 29 I CB -1.161 36.842 38.000 0.004 0.000 1.057 29 I HN 0.105 nan 8.210 nan 0.000 0.413 30 A N 1.151 123.829 122.820 -0.237 0.000 1.865 30 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 30 A C 2.338 179.801 177.584 -0.201 0.000 1.191 30 A CA 1.824 53.699 52.037 -0.271 0.000 0.623 30 A CB -0.513 18.072 19.000 -0.693 0.000 0.826 30 A HN 0.327 nan 8.150 nan 0.000 0.444 31 K N -1.115 119.131 120.400 -0.257 0.000 2.097 31 K HA -0.074 4.246 4.320 -0.000 0.000 0.205 31 K C 2.067 178.521 176.600 -0.244 0.000 1.050 31 K CA 1.679 57.848 56.287 -0.197 0.000 0.938 31 K CB -0.386 32.018 32.500 -0.160 0.000 0.718 31 K HN 0.466 nan 8.250 nan 0.000 0.442 32 T N 0.334 114.637 114.554 -0.417 0.000 2.857 32 T HA -0.029 4.321 4.350 -0.000 0.000 0.266 32 T C 1.242 175.628 174.700 -0.523 0.000 1.048 32 T CA 1.133 62.877 62.100 -0.595 0.000 1.139 32 T CB -0.053 68.094 68.868 -1.202 0.000 0.874 32 T HN 0.087 nan 8.240 nan 0.000 0.455 33 F N 0.111 119.893 119.950 -0.279 0.000 2.712 33 F HA 0.443 4.970 4.527 -0.000 0.000 0.297 33 F C 0.557 176.387 175.800 0.050 0.000 1.114 33 F CA -0.375 57.577 58.000 -0.080 0.000 1.305 33 F CB 0.170 39.113 39.000 -0.096 0.000 1.086 33 F HN -0.042 nan 8.300 nan 0.000 0.599 34 L N 1.274 122.592 121.223 0.158 0.000 2.334 34 L HA 0.431 4.771 4.340 -0.000 0.000 0.275 34 L C -0.315 176.590 176.870 0.059 0.000 1.036 34 L CA -1.076 53.844 54.840 0.133 0.000 0.807 34 L CB 0.767 42.890 42.059 0.106 0.000 1.231 34 L HN -0.144 nan 8.230 nan 0.000 0.438 35 Q N 1.694 121.529 119.800 0.058 0.000 2.261 35 Q HA 0.208 4.548 4.340 -0.000 0.000 0.252 35 Q C -0.251 175.769 176.000 0.033 0.000 0.915 35 Q CA -0.434 55.383 55.803 0.024 0.000 0.915 35 Q CB 0.792 29.535 28.738 0.010 0.000 1.204 35 Q HN 0.515 nan 8.270 nan 0.000 0.421 36 N N 0.186 118.900 118.700 0.022 0.000 2.725 36 N HA -0.135 4.605 4.740 -0.000 0.000 0.251 36 N C -2.488 173.053 175.510 0.052 0.000 1.031 36 N CA 0.452 53.521 53.050 0.031 0.000 0.720 36 N CB -1.293 37.212 38.487 0.030 0.000 0.930 36 N HN 0.463 nan 8.380 nan 0.000 0.543 37 P HA 0.043 nan 4.420 nan 0.000 0.267 37 P C -0.166 177.206 177.300 0.119 0.000 1.200 37 P CA 0.342 63.495 63.100 0.088 0.000 0.772 37 P CB 0.863 32.585 31.700 0.038 0.000 0.855 38 R N 2.589 123.195 120.500 0.176 0.000 2.564 38 R HA 0.317 4.657 4.340 -0.000 0.000 0.284 38 R C -0.938 175.438 176.300 0.127 0.000 1.031 38 R CA -0.817 55.366 56.100 0.139 0.000 0.904 38 R CB 1.742 32.109 30.300 0.111 0.000 1.199 38 R HN 0.504 nan 8.270 nan 0.000 0.443 39 R N 4.054 124.528 120.500 -0.043 0.000 2.196 39 R HA 0.103 4.443 4.340 -0.000 0.000 0.340 39 R C 0.131 176.255 176.300 -0.295 0.000 1.043 39 R CA -0.145 55.685 56.100 -0.449 0.000 0.883 39 R CB 0.312 30.173 30.300 -0.733 0.000 1.078 39 R HN 0.680 nan 8.270 nan 0.000 0.462 40 Y N 1.788 121.996 120.300 -0.153 0.000 2.511 40 Y HA 0.342 4.892 4.550 -0.000 0.000 0.279 40 Y C -0.399 175.468 175.900 -0.056 0.000 1.157 40 Y CA -0.809 57.251 58.100 -0.067 0.000 1.300 40 Y CB 0.136 38.590 38.460 -0.010 0.000 1.052 40 Y HN 0.455 nan 8.280 nan 0.000 0.529 41 N N 0.055 118.541 118.700 -0.357 0.000 2.446 41 N HA 0.226 4.966 4.740 -0.000 0.000 0.272 41 N C -1.359 174.051 175.510 -0.167 0.000 1.127 41 N CA -0.119 52.861 53.050 -0.117 0.000 0.896 41 N CB 1.469 39.994 38.487 0.064 0.000 1.658 41 N HN 0.206 nan 8.380 nan 0.000 0.483 42 D N -1.088 119.320 120.400 0.014 0.000 2.497 42 D HA 0.047 4.687 4.640 -0.000 0.000 0.256 42 D C -0.329 176.122 176.300 0.252 0.000 1.273 42 D CA -0.189 53.898 54.000 0.144 0.000 0.812 42 D CB -0.351 40.420 40.800 -0.048 0.000 1.190 42 D HN 0.513 nan 8.370 nan 0.000 0.524 43 H N 2.307 121.440 119.070 0.105 0.000 3.064 43 H HA 0.079 4.635 4.556 -0.000 0.000 0.329 43 H C 0.490 175.881 175.328 0.105 0.000 1.020 43 H CA 0.898 57.002 56.048 0.093 0.000 1.402 43 H CB 0.494 30.298 29.762 0.071 0.000 1.379 43 H HN 0.107 nan 8.280 nan 0.000 0.594 44 R N 2.266 122.507 120.500 -0.430 0.000 3.932 44 R HA -0.251 4.089 4.340 -0.000 0.000 0.318 44 R C 1.105 177.347 176.300 -0.098 0.000 1.219 44 R CA 0.884 56.817 56.100 -0.278 0.000 0.889 44 R CB -1.723 28.428 30.300 -0.249 0.000 1.309 44 R HN 1.099 nan 8.270 nan 0.000 0.537 45 G N -0.212 108.577 108.800 -0.019 0.000 2.179 45 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.260 45 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.260 45 G C 0.257 175.096 174.900 -0.101 0.000 0.977 45 G CA 0.308 45.347 45.100 -0.102 0.000 0.641 45 G HN 0.296 nan 8.290 nan 0.000 0.533 46 L N 0.870 122.128 121.223 0.058 0.000 2.650 46 L HA 0.229 4.569 4.340 -0.000 0.000 0.239 46 L C 0.574 177.554 176.870 0.184 0.000 1.412 46 L CA -0.952 53.941 54.840 0.089 0.000 1.219 46 L CB -0.546 41.579 42.059 0.108 0.000 1.534 46 L HN 0.138 nan 8.230 nan 0.000 0.430 47 W N 1.726 122.983 121.300 -0.071 0.000 2.534 47 W HA 0.199 4.859 4.660 -0.000 0.000 0.340 47 W C 0.947 177.307 176.519 -0.265 0.000 1.352 47 W CA -0.579 56.651 57.345 -0.192 0.000 1.305 47 W CB -0.135 29.294 29.460 -0.053 0.000 1.299 47 W HN 0.229 nan 8.180 nan 0.000 0.572 48 G N 3.904 112.438 108.800 -0.444 0.000 2.626 48 G HA2 0.613 4.573 3.960 -0.000 0.000 0.304 48 G HA3 0.613 4.573 3.960 -0.000 0.000 0.304 48 G C -1.792 172.397 174.900 -1.185 0.000 1.385 48 G CA -0.525 44.176 45.100 -0.665 0.000 0.957 48 G HN 0.266 nan 8.290 nan 0.000 0.504 49 Y N 0.320 120.426 120.300 -0.323 0.000 2.631 49 Y HA 0.818 5.368 4.550 -0.000 0.000 0.328 49 Y C 0.618 176.646 175.900 0.213 0.000 1.118 49 Y CA -0.927 57.112 58.100 -0.103 0.000 1.206 49 Y CB 2.651 41.098 38.460 -0.022 0.000 1.337 49 Y HN 0.430 nan 8.280 nan 0.000 0.515 50 T N 0.389 115.180 114.554 0.394 0.000 3.395 50 T HA 0.614 4.964 4.350 -0.000 0.000 0.330 50 T C -0.470 174.353 174.700 0.205 0.000 1.076 50 T CA -0.772 61.511 62.100 0.305 0.000 1.070 50 T CB 1.314 70.365 68.868 0.304 0.000 1.119 50 T HN 1.041 nan 8.240 nan 0.000 0.462 51 G N 1.524 110.419 108.800 0.160 0.000 2.827 51 G HA2 0.771 4.731 3.960 -0.000 0.000 0.296 51 G HA3 0.771 4.731 3.960 -0.000 0.000 0.296 51 G C -1.846 173.124 174.900 0.116 0.000 1.362 51 G CA -0.799 44.374 45.100 0.122 0.000 0.809 51 G HN 0.684 nan 8.290 nan 0.000 0.522 52 L N 0.265 121.550 121.223 0.103 0.000 2.317 52 L HA 0.487 4.827 4.340 -0.000 0.000 0.281 52 L C -1.344 175.615 176.870 0.148 0.000 1.024 52 L CA -0.949 53.953 54.840 0.103 0.000 0.810 52 L CB 2.018 44.110 42.059 0.055 0.000 1.240 52 L HN 0.576 nan 8.230 nan 0.000 0.427 53 Y N 3.724 124.048 120.300 0.040 0.000 2.345 53 Y HA 0.262 4.812 4.550 -0.000 0.000 0.331 53 Y C 0.062 175.984 175.900 0.037 0.000 0.959 53 Y CA -1.215 56.913 58.100 0.047 0.000 1.204 53 Y CB 0.725 39.217 38.460 0.053 0.000 1.135 53 Y HN 0.552 nan 8.280 nan 0.000 0.477 54 K N 4.943 125.059 120.400 -0.473 0.000 3.148 54 K HA -0.240 4.080 4.320 -0.000 0.000 0.267 54 K C 0.968 177.487 176.600 -0.135 0.000 0.996 54 K CA 0.910 56.981 56.287 -0.361 0.000 0.737 54 K CB -1.591 30.611 32.500 -0.495 0.000 1.308 54 K HN 1.316 nan 8.250 nan 0.000 0.470 55 G N -1.510 107.246 108.800 -0.073 0.000 2.220 55 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.269 55 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.269 55 G C 0.254 175.162 174.900 0.013 0.000 0.977 55 G CA 0.353 45.440 45.100 -0.022 0.000 0.634 55 G HN 0.304 nan 8.290 nan 0.000 0.539 56 V N 1.870 121.808 119.914 0.040 0.000 2.472 56 V HA 0.507 4.627 4.120 -0.000 0.000 0.290 56 V C -1.885 174.265 176.094 0.092 0.000 1.037 56 V CA -1.795 60.546 62.300 0.068 0.000 0.908 56 V CB 1.815 33.692 31.823 0.089 0.000 0.985 56 V HN 0.054 nan 8.190 nan 0.000 0.454 57 P HA 0.242 nan 4.420 nan 0.000 0.271 57 P C -1.013 176.340 177.300 0.089 0.000 1.226 57 P CA 0.172 63.318 63.100 0.077 0.000 0.765 57 P CB 0.611 32.344 31.700 0.054 0.000 0.835 58 V N 3.449 123.426 119.914 0.106 0.000 2.733 58 V HA 0.347 4.467 4.120 -0.000 0.000 0.306 58 V C -0.144 176.022 176.094 0.121 0.000 1.084 58 V CA -0.433 61.927 62.300 0.099 0.000 0.905 58 V CB 2.287 34.166 31.823 0.094 0.000 1.010 58 V HN 0.376 nan 8.190 nan 0.000 0.424 59 S N 2.682 118.458 115.700 0.127 0.000 2.593 59 S HA 0.775 5.245 4.470 -0.000 0.000 0.297 59 S C -0.519 174.192 174.600 0.185 0.000 1.112 59 S CA -0.649 57.675 58.200 0.206 0.000 1.043 59 S CB 2.027 65.362 63.200 0.225 0.000 1.054 59 S HN 0.501 nan 8.310 nan 0.000 0.516 60 V N 3.025 123.086 119.914 0.246 0.000 2.385 60 V HA 0.375 4.495 4.120 -0.000 0.000 0.277 60 V C -0.651 175.595 176.094 0.253 0.000 1.012 60 V CA -0.610 61.811 62.300 0.202 0.000 0.832 60 V CB 1.091 33.011 31.823 0.161 0.000 1.028 60 V HN 0.767 nan 8.190 nan 0.000 0.436 61 Q N 2.967 122.893 119.800 0.210 0.000 2.314 61 Q HA 0.476 4.816 4.340 -0.000 0.000 0.259 61 Q C 0.048 176.135 176.000 0.145 0.000 0.951 61 Q CA -0.000 55.920 55.803 0.195 0.000 0.909 61 Q CB 1.558 30.432 28.738 0.227 0.000 1.236 61 Q HN 0.732 nan 8.270 nan 0.000 0.444 62 T N 2.928 117.567 114.554 0.142 0.000 2.932 62 T HA 0.149 4.499 4.350 -0.000 0.000 0.312 62 T C 1.050 175.788 174.700 0.063 0.000 1.071 62 T CA 0.651 62.810 62.100 0.097 0.000 1.128 62 T CB 0.715 69.632 68.868 0.083 0.000 0.984 62 T HN 0.822 nan 8.240 nan 0.000 0.549 63 T N -0.648 113.924 114.554 0.030 0.000 3.018 63 T HA 0.520 4.870 4.350 -0.000 0.000 0.246 63 T C 1.081 175.774 174.700 -0.011 0.000 1.026 63 T CA 0.356 62.463 62.100 0.013 0.000 1.081 63 T CB -0.133 68.736 68.868 0.001 0.000 0.970 63 T HN 1.227 nan 8.240 nan 0.000 0.475 64 G N 1.508 110.292 108.800 -0.027 0.000 2.655 64 G HA2 0.001 3.961 3.960 -0.000 0.000 0.680 64 G HA3 0.001 3.961 3.960 -0.000 0.000 0.680 64 G C -0.765 174.107 174.900 -0.046 0.000 1.302 64 G CA -0.581 44.490 45.100 -0.047 0.000 0.872 64 G HN 0.541 nan 8.290 nan 0.000 0.540 65 M N 0.910 120.478 119.600 -0.053 0.000 2.264 65 M HA 0.569 5.049 4.480 -0.000 0.000 0.352 65 M C 0.758 177.039 176.300 -0.031 0.000 1.173 65 M CA 0.685 55.957 55.300 -0.047 0.000 1.075 65 M CB 1.228 33.788 32.600 -0.067 0.000 1.621 65 M HN 2.552 nan 8.290 nan 0.000 0.457 66 G N 1.160 109.948 108.800 -0.020 0.000 2.712 66 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.686 66 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.686 66 G C 0.310 175.199 174.900 -0.019 0.000 1.181 66 G CA -0.267 44.827 45.100 -0.011 0.000 0.762 66 G HN 0.906 nan 8.290 nan 0.000 0.641 67 T N -1.262 113.282 114.554 -0.016 0.000 2.867 67 T HA 0.010 4.360 4.350 -0.000 0.000 0.268 67 T C 0.157 174.858 174.700 0.001 0.000 1.057 67 T CA 2.023 64.115 62.100 -0.014 0.000 1.136 67 T CB -0.671 68.191 68.868 -0.009 0.000 0.874 67 T HN 0.410 nan 8.240 nan 0.000 0.466 68 P HA -0.080 nan 4.420 nan 0.000 0.215 68 P C 2.082 179.363 177.300 -0.031 0.000 1.153 68 P CA 1.204 64.297 63.100 -0.013 0.000 0.853 68 P CB -0.230 31.457 31.700 -0.021 0.000 0.788 69 S N -0.953 114.725 115.700 -0.036 0.000 2.338 69 S HA -0.124 4.346 4.470 -0.000 0.000 0.218 69 S C 2.022 176.595 174.600 -0.044 0.000 1.032 69 S CA 1.351 59.521 58.200 -0.050 0.000 0.999 69 S CB -1.144 62.032 63.200 -0.040 0.000 0.905 69 S HN 0.047 nan 8.310 nan 0.000 0.439 70 A N 1.552 124.355 122.820 -0.028 0.000 1.940 70 A HA 0.079 4.399 4.320 -0.000 0.000 0.219 70 A C 2.431 180.008 177.584 -0.013 0.000 1.176 70 A CA 2.054 54.079 52.037 -0.021 0.000 0.631 70 A CB -1.411 17.570 19.000 -0.032 0.000 0.814 70 A HN 0.762 nan 8.150 nan 0.000 0.446 71 A N 0.071 122.892 122.820 0.003 0.000 1.892 71 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 71 A C 2.139 179.739 177.584 0.028 0.000 1.188 71 A CA 1.687 53.752 52.037 0.047 0.000 0.631 71 A CB -0.671 18.422 19.000 0.155 0.000 0.822 71 A HN 0.521 nan 8.150 nan 0.000 0.447 72 I N -0.459 120.091 120.570 -0.033 0.000 2.163 72 I HA -0.252 3.918 4.170 -0.000 0.000 0.243 72 I C 2.399 178.488 176.117 -0.048 0.000 1.085 72 I CA 1.473 62.707 61.300 -0.110 0.000 1.347 72 I CB -0.414 37.383 38.000 -0.339 0.000 1.044 72 I HN 0.184 nan 8.210 nan 0.000 0.408 73 V N 0.347 120.246 119.914 -0.024 0.000 2.295 73 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 73 V C 2.421 178.538 176.094 0.038 0.000 1.049 73 V CA 1.689 64.006 62.300 0.029 0.000 1.024 73 V CB -0.552 31.294 31.823 0.037 0.000 0.648 73 V HN 0.239 nan 8.190 nan 0.000 0.447 74 V N -0.299 119.628 119.914 0.021 0.000 2.295 74 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 74 V C 2.600 178.703 176.094 0.016 0.000 1.049 74 V CA 1.945 64.255 62.300 0.017 0.000 1.024 74 V CB -0.678 31.143 31.823 -0.003 0.000 0.648 74 V HN 0.560 nan 8.190 nan 0.000 0.447 75 E N 0.058 120.268 120.200 0.017 0.000 2.070 75 E HA -0.277 4.073 4.350 -0.000 0.000 0.197 75 E C 2.236 178.855 176.600 0.032 0.000 1.004 75 E CA 1.729 58.144 56.400 0.025 0.000 0.805 75 E CB -0.175 29.560 29.700 0.059 0.000 0.744 75 E HN 0.704 nan 8.360 nan 0.000 0.451 76 E N 0.476 120.702 120.200 0.043 0.000 2.072 76 E HA -0.097 4.253 4.350 -0.000 0.000 0.191 76 E C 2.349 178.969 176.600 0.034 0.000 0.985 76 E CA 0.441 56.870 56.400 0.049 0.000 0.801 76 E CB -0.048 29.701 29.700 0.081 0.000 0.750 76 E HN 0.165 nan 8.360 nan 0.000 0.452 77 L N 0.471 121.718 121.223 0.041 0.000 2.079 77 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 77 L C 2.406 179.283 176.870 0.012 0.000 1.081 77 L CA 0.740 55.599 54.840 0.032 0.000 0.752 77 L CB -0.392 41.698 42.059 0.052 0.000 0.896 77 L HN 0.092 nan 8.230 nan 0.000 0.433 78 V N -0.245 119.677 119.914 0.013 0.000 2.343 78 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 78 V C 2.586 178.681 176.094 0.000 0.000 1.051 78 V CA 1.723 64.027 62.300 0.006 0.000 1.036 78 V CB -0.614 31.211 31.823 0.004 0.000 0.654 78 V HN 0.419 nan 8.190 nan 0.000 0.451 79 R N -0.359 120.142 120.500 0.002 0.000 2.096 79 R HA -0.086 4.254 4.340 -0.000 0.000 0.235 79 R C 2.111 178.401 176.300 -0.017 0.000 1.127 79 R CA 1.291 57.388 56.100 -0.004 0.000 0.968 79 R CB -0.366 29.933 30.300 -0.001 0.000 0.861 79 R HN 0.421 nan 8.270 nan 0.000 0.440 80 L N -0.816 120.392 121.223 -0.025 0.000 2.552 80 L HA 0.077 4.417 4.340 -0.000 0.000 0.227 80 L C 1.252 178.096 176.870 -0.044 0.000 1.146 80 L CA 0.710 55.521 54.840 -0.048 0.000 0.858 80 L CB 0.246 42.261 42.059 -0.073 0.000 0.969 80 L HN 0.535 nan 8.230 nan 0.000 0.451 81 G N -0.987 107.798 108.800 -0.025 0.000 2.205 81 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.180 81 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.180 81 G C 0.377 175.272 174.900 -0.009 0.000 1.004 81 G CA -0.266 44.823 45.100 -0.018 0.000 0.670 81 G HN 0.390 nan 8.290 nan 0.000 0.496 82 A N 0.363 123.180 122.820 -0.005 0.000 2.546 82 A HA 0.629 4.949 4.320 -0.000 0.000 0.243 82 A C 1.414 179.006 177.584 0.013 0.000 1.063 82 A CA 0.839 52.882 52.037 0.009 0.000 0.757 82 A CB 0.294 19.306 19.000 0.020 0.000 0.991 82 A HN 0.283 nan 8.150 nan 0.000 0.503 83 R N 1.275 121.786 120.500 0.018 0.000 2.383 83 R HA 0.201 4.541 4.340 -0.000 0.000 0.205 83 R C -0.653 175.663 176.300 0.026 0.000 0.875 83 R CA 0.544 56.656 56.100 0.019 0.000 1.039 83 R CB 0.395 30.704 30.300 0.016 0.000 1.267 83 R HN 0.482 nan 8.270 nan 0.000 0.635 84 V N 2.939 122.872 119.914 0.031 0.000 2.409 84 V HA 0.388 4.508 4.120 -0.000 0.000 0.290 84 V C -1.184 174.936 176.094 0.044 0.000 1.017 84 V CA -0.735 61.588 62.300 0.038 0.000 0.841 84 V CB 1.788 33.632 31.823 0.035 0.000 1.003 84 V HN -0.052 nan 8.190 nan 0.000 0.426 85 L N 6.090 127.346 121.223 0.055 0.000 2.349 85 L HA 0.685 5.025 4.340 -0.000 0.000 0.278 85 L C -0.365 176.552 176.870 0.078 0.000 0.996 85 L CA -0.363 54.514 54.840 0.061 0.000 0.825 85 L CB 1.995 44.090 42.059 0.059 0.000 1.243 85 L HN 0.353 nan 8.230 nan 0.000 0.412 86 V N 3.080 123.033 119.914 0.064 0.000 2.407 86 V HA 0.470 4.590 4.120 -0.000 0.000 0.291 86 V C 0.167 176.293 176.094 0.053 0.000 1.018 86 V CA -0.769 61.574 62.300 0.073 0.000 0.842 86 V CB 1.665 33.519 31.823 0.051 0.000 0.996 86 V HN 0.744 nan 8.190 nan 0.000 0.426 87 R N 4.299 124.836 120.500 0.061 0.000 2.389 87 R HA 0.492 4.832 4.340 -0.000 0.000 0.295 87 R C -0.618 175.696 176.300 0.024 0.000 1.075 87 R CA -0.238 55.878 56.100 0.027 0.000 1.005 87 R CB 1.116 31.410 30.300 -0.010 0.000 0.987 87 R HN 0.626 nan 8.270 nan 0.000 0.452 88 V N 2.472 122.393 119.914 0.012 0.000 2.289 88 V HA 0.695 4.815 4.120 -0.000 0.000 0.272 88 V C 0.144 176.242 176.094 0.006 0.000 1.026 88 V CA -0.303 62.001 62.300 0.007 0.000 0.807 88 V CB 0.805 32.624 31.823 -0.007 0.000 1.044 88 V HN 0.884 nan 8.190 nan 0.000 0.443 89 G N 3.157 111.958 108.800 0.001 0.000 3.262 89 G HA2 0.873 4.833 3.960 -0.000 0.000 0.229 89 G HA3 0.873 4.833 3.960 -0.000 0.000 0.229 89 G C -0.292 174.605 174.900 -0.005 0.000 1.280 89 G CA -0.044 45.052 45.100 -0.006 0.000 0.951 89 G HN 0.952 nan 8.290 nan 0.000 0.589 90 T N -3.345 111.206 114.554 -0.005 0.000 2.907 90 T HA 0.840 5.190 4.350 -0.000 0.000 0.290 90 T C -0.334 174.374 174.700 0.013 0.000 1.066 90 T CA -0.051 62.049 62.100 0.000 0.000 1.012 90 T CB 1.857 70.723 68.868 -0.004 0.000 1.184 90 T HN 1.813 nan 8.240 nan 0.000 0.522 91 A N -0.328 122.505 122.820 0.022 0.000 2.588 91 A HA 0.921 5.241 4.320 -0.000 0.000 0.290 91 A C -0.280 177.331 177.584 0.045 0.000 1.136 91 A CA -0.643 51.416 52.037 0.036 0.000 0.681 91 A CB 1.153 20.164 19.000 0.019 0.000 1.282 91 A HN 1.473 nan 8.150 nan 0.000 0.421 92 G N 0.107 108.944 108.800 0.062 0.000 2.422 92 G HA2 0.684 4.644 3.960 -0.000 0.000 0.317 92 G HA3 0.684 4.644 3.960 -0.000 0.000 0.317 92 G C 0.132 175.080 174.900 0.081 0.000 1.210 92 G CA 0.281 45.406 45.100 0.043 0.000 0.930 92 G HN 1.665 nan 8.290 nan 0.000 0.468 93 A N 1.728 124.580 122.820 0.053 0.000 2.546 93 A HA 0.499 4.819 4.320 -0.000 0.000 0.243 93 A C 1.529 179.174 177.584 0.102 0.000 1.063 93 A CA 0.639 52.716 52.037 0.066 0.000 0.757 93 A CB 0.533 19.556 19.000 0.037 0.000 0.991 93 A HN 1.582 nan 8.150 nan 0.000 0.503 94 A N 2.588 125.505 122.820 0.161 0.000 2.044 94 A HA 0.335 4.655 4.320 -0.000 0.000 0.213 94 A C 1.466 179.134 177.584 0.140 0.000 1.169 94 A CA 1.211 53.388 52.037 0.234 0.000 0.724 94 A CB -0.306 18.924 19.000 0.384 0.000 0.840 94 A HN 0.928 nan 8.150 nan 0.000 0.463 95 S N -0.638 115.118 115.700 0.094 0.000 2.713 95 S HA 0.449 4.919 4.470 -0.000 0.000 0.296 95 S C 0.914 175.537 174.600 0.038 0.000 1.114 95 S CA 0.111 58.347 58.200 0.061 0.000 0.997 95 S CB 1.065 64.295 63.200 0.050 0.000 1.249 95 S HN 0.593 nan 8.310 nan 0.000 0.534 96 S N -0.418 115.297 115.700 0.026 0.000 2.540 96 S HA 0.072 4.542 4.470 -0.000 0.000 0.222 96 S C 0.667 175.275 174.600 0.013 0.000 1.008 96 S CA 0.178 58.388 58.200 0.017 0.000 0.939 96 S CB -0.390 62.817 63.200 0.011 0.000 0.865 96 S HN 0.731 nan 8.310 nan 0.000 0.499 97 D N 1.522 121.931 120.400 0.014 0.000 2.348 97 D HA 0.089 4.729 4.640 -0.000 0.000 0.211 97 D C 0.470 176.775 176.300 0.009 0.000 0.998 97 D CA -0.055 53.951 54.000 0.009 0.000 0.873 97 D CB -0.316 40.489 40.800 0.007 0.000 0.925 97 D HN 0.381 nan 8.370 nan 0.000 0.524 98 L N 1.217 122.448 121.223 0.013 0.000 2.261 98 L HA 0.490 4.830 4.340 -0.000 0.000 0.289 98 L C 0.041 176.918 176.870 0.012 0.000 1.059 98 L CA -0.748 54.100 54.840 0.013 0.000 0.816 98 L CB 1.110 43.180 42.059 0.018 0.000 1.191 98 L HN -0.003 nan 8.230 nan 0.000 0.431 99 A N 6.481 129.307 122.820 0.009 0.000 2.290 99 A HA 0.637 4.957 4.320 -0.000 0.000 0.310 99 A C -2.356 175.231 177.584 0.006 0.000 1.202 99 A CA -1.625 50.417 52.037 0.008 0.000 0.837 99 A CB 0.323 19.327 19.000 0.007 0.000 1.139 99 A HN 0.424 nan 8.150 nan 0.000 0.509 100 P HA 0.167 nan 4.420 nan 0.000 0.261 100 P C 1.168 178.465 177.300 -0.004 0.000 1.165 100 P CA 2.267 65.368 63.100 0.001 0.000 0.759 100 P CB 0.577 32.276 31.700 -0.001 0.000 0.772 101 G N 1.782 110.578 108.800 -0.007 0.000 2.279 101 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.223 101 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.223 101 G C 0.305 175.201 174.900 -0.005 0.000 1.015 101 G CA -0.146 44.946 45.100 -0.013 0.000 0.621 101 G HN 0.598 nan 8.290 nan 0.000 0.506 102 E N 0.719 120.922 120.200 0.005 0.000 2.415 102 E HA 0.468 4.818 4.350 -0.000 0.000 0.262 102 E C 0.520 177.135 176.600 0.025 0.000 1.038 102 E CA -0.246 56.164 56.400 0.018 0.000 0.921 102 E CB 0.237 29.947 29.700 0.018 0.000 0.950 102 E HN 0.395 nan 8.360 nan 0.000 0.438 103 L N 4.570 125.822 121.223 0.049 0.000 2.343 103 L HA 0.461 4.801 4.340 -0.000 0.000 0.275 103 L C -0.094 176.812 176.870 0.060 0.000 1.056 103 L CA -0.645 54.231 54.840 0.059 0.000 0.804 103 L CB 0.972 43.086 42.059 0.090 0.000 1.203 103 L HN 0.493 nan 8.230 nan 0.000 0.440 104 I N 2.384 122.980 120.570 0.043 0.000 2.478 104 I HA 0.264 4.434 4.170 -0.000 0.000 0.287 104 I C -0.674 175.464 176.117 0.035 0.000 1.042 104 I CA -0.683 60.634 61.300 0.028 0.000 1.067 104 I CB 2.351 40.359 38.000 0.014 0.000 1.233 104 I HN 0.178 nan 8.210 nan 0.000 0.431 105 V N 5.954 125.877 119.914 0.014 0.000 2.368 105 V HA 0.334 4.454 4.120 -0.000 0.000 0.266 105 V C 0.765 176.937 176.094 0.130 0.000 1.045 105 V CA -0.559 61.757 62.300 0.028 0.000 0.899 105 V CB 1.223 32.966 31.823 -0.132 0.000 1.006 105 V HN 0.829 nan 8.190 nan 0.000 0.470 106 A N 4.267 127.204 122.820 0.196 0.000 2.476 106 A HA 0.148 4.468 4.320 -0.000 0.000 0.275 106 A C 1.141 178.853 177.584 0.214 0.000 1.133 106 A CA 0.072 52.243 52.037 0.222 0.000 0.797 106 A CB 0.115 19.304 19.000 0.315 0.000 1.081 106 A HN 0.944 nan 8.150 nan 0.000 0.510 107 Q N 2.625 122.452 119.800 0.045 0.000 2.354 107 Q HA 0.269 4.609 4.340 -0.000 0.000 0.203 107 Q C 0.642 176.409 176.000 -0.389 0.000 0.933 107 Q CA 1.014 56.577 55.803 -0.401 0.000 0.901 107 Q CB 0.215 28.784 28.738 -0.281 0.000 1.007 107 Q HN 0.932 nan 8.270 nan 0.000 0.495 108 G N -0.550 108.186 108.800 -0.107 0.000 2.601 108 G HA2 0.588 4.548 3.960 -0.000 0.000 0.291 108 G HA3 0.588 4.548 3.960 -0.000 0.000 0.291 108 G C -2.006 172.966 174.900 0.119 0.000 1.456 108 G CA -0.234 44.849 45.100 -0.027 0.000 0.804 108 G HN 0.158 nan 8.290 nan 0.000 0.499 109 A N 0.407 123.321 122.820 0.157 0.000 2.375 109 A HA 0.683 5.003 4.320 -0.000 0.000 0.291 109 A C -0.164 177.384 177.584 -0.060 0.000 1.160 109 A CA -0.488 51.557 52.037 0.015 0.000 0.747 109 A CB 1.397 20.366 19.000 -0.050 0.000 1.170 109 A HN 1.443 nan 8.150 nan 0.000 0.458 110 V N 4.912 124.724 119.914 -0.170 0.000 2.557 110 V HA 0.152 4.272 4.120 -0.000 0.000 0.301 110 V C -1.726 174.262 176.094 -0.177 0.000 1.026 110 V CA -0.251 61.927 62.300 -0.203 0.000 1.137 110 V CB 0.801 32.372 31.823 -0.419 0.000 0.917 110 V HN 0.773 nan 8.190 nan 0.000 0.484 111 P HA 0.268 nan 4.420 nan 0.000 0.251 111 P C 0.100 177.375 177.300 -0.040 0.000 1.718 111 P CA -0.070 63.009 63.100 -0.036 0.000 1.119 111 P CB 0.491 32.222 31.700 0.051 0.000 1.762 112 L N 1.742 122.915 121.223 -0.083 0.000 2.628 112 L HA 0.151 4.491 4.340 -0.000 0.000 0.229 112 L C 1.175 178.045 176.870 -0.000 0.000 1.137 112 L CA -0.019 54.800 54.840 -0.035 0.000 0.909 112 L CB -0.167 41.847 42.059 -0.074 0.000 1.137 112 L HN 0.304 nan 8.230 nan 0.000 0.470 113 D N -0.652 119.744 120.400 -0.007 0.000 2.332 113 D HA 0.137 4.777 4.640 -0.000 0.000 0.252 113 D C 0.918 177.227 176.300 0.016 0.000 1.050 113 D CA -0.318 53.685 54.000 0.005 0.000 0.970 113 D CB 2.230 43.027 40.800 -0.005 0.000 1.141 113 D HN -0.045 nan 8.370 nan 0.000 0.485 114 G N -0.477 108.331 108.800 0.015 0.000 2.838 114 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.210 114 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.210 114 G C 1.228 176.132 174.900 0.007 0.000 1.153 114 G CA 0.290 45.396 45.100 0.010 0.000 0.778 114 G HN 0.537 nan 8.290 nan 0.000 0.539 115 T N 1.309 115.875 114.554 0.021 0.000 2.770 115 T HA -0.140 4.210 4.350 -0.000 0.000 0.263 115 T C 2.896 177.677 174.700 0.135 0.000 1.039 115 T CA 2.046 64.176 62.100 0.051 0.000 1.142 115 T CB -0.508 68.410 68.868 0.084 0.000 0.868 115 T HN 0.512 nan 8.240 nan 0.000 0.435 116 T N 0.947 115.563 114.554 0.104 0.000 2.867 116 T HA -0.085 4.265 4.350 -0.000 0.000 0.268 116 T C 1.976 176.713 174.700 0.062 0.000 1.057 116 T CA 0.918 63.072 62.100 0.090 0.000 1.136 116 T CB -0.276 68.611 68.868 0.031 0.000 0.874 116 T HN 0.271 nan 8.240 nan 0.000 0.466 117 R N 0.777 121.301 120.500 0.039 0.000 2.096 117 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 117 R C 2.704 179.009 176.300 0.007 0.000 1.127 117 R CA 1.551 57.664 56.100 0.022 0.000 0.968 117 R CB -0.280 30.031 30.300 0.018 0.000 0.861 117 R HN 0.603 nan 8.270 nan 0.000 0.440 118 Q N -0.860 118.932 119.800 -0.014 0.000 2.096 118 Q HA -0.152 4.188 4.340 -0.000 0.000 0.197 118 Q C 1.535 177.493 176.000 -0.070 0.000 0.964 118 Q CA 1.328 57.086 55.803 -0.075 0.000 0.838 118 Q CB -0.021 28.622 28.738 -0.157 0.000 0.906 118 Q HN 0.467 nan 8.270 nan 0.000 0.444 119 Y N -0.141 120.123 120.300 -0.059 0.000 2.293 119 Y HA -0.142 4.408 4.550 -0.000 0.000 0.291 119 Y C 1.673 177.518 175.900 -0.092 0.000 1.137 119 Y CA 0.741 58.797 58.100 -0.074 0.000 1.202 119 Y CB 0.352 38.757 38.460 -0.092 0.000 0.990 119 Y HN 0.124 nan 8.280 nan 0.000 0.537 120 L N -0.539 120.718 121.223 0.056 0.000 2.607 120 L HA 0.038 4.378 4.340 -0.000 0.000 0.228 120 L C 0.380 177.249 176.870 -0.000 0.000 1.123 120 L CA 0.389 55.219 54.840 -0.018 0.000 0.890 120 L CB -0.052 41.965 42.059 -0.070 0.000 1.103 120 L HN 0.151 nan 8.230 nan 0.000 0.468 121 E N -0.159 120.043 120.200 0.003 0.000 2.586 121 E HA -0.294 4.056 4.350 -0.000 0.000 0.259 121 E C 1.169 177.773 176.600 0.006 0.000 1.107 121 E CA 0.259 56.659 56.400 -0.001 0.000 0.754 121 E CB -1.559 28.141 29.700 0.001 0.000 1.335 121 E HN 0.676 nan 8.360 nan 0.000 0.411 122 G N -0.062 108.744 108.800 0.011 0.000 2.195 122 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.246 122 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.246 122 G C 0.351 175.269 174.900 0.029 0.000 0.984 122 G CA 0.291 45.402 45.100 0.019 0.000 0.633 122 G HN 0.260 nan 8.290 nan 0.000 0.525 123 R N 1.215 121.733 120.500 0.030 0.000 2.679 123 R HA 0.402 4.742 4.340 -0.000 0.000 0.268 123 R C -1.930 174.416 176.300 0.077 0.000 1.044 123 R CA -0.906 55.222 56.100 0.047 0.000 1.105 123 R CB 0.176 30.503 30.300 0.045 0.000 0.989 123 R HN 0.181 nan 8.270 nan 0.000 0.447 124 P HA 0.085 nan 4.420 nan 0.000 0.272 124 P C -1.508 175.918 177.300 0.210 0.000 1.240 124 P CA 0.012 63.177 63.100 0.108 0.000 0.791 124 P CB 0.421 32.162 31.700 0.068 0.000 0.978 125 Y N -0.662 119.642 120.300 0.005 0.000 2.662 125 Y HA 0.505 5.055 4.550 -0.000 0.000 0.334 125 Y C -1.621 174.277 175.900 -0.003 0.000 1.185 125 Y CA -0.984 57.118 58.100 0.003 0.000 1.074 125 Y CB 1.124 39.590 38.460 0.009 0.000 1.330 125 Y HN 0.414 nan 8.280 nan 0.000 0.458 126 A N 5.187 127.608 122.820 -0.664 0.000 2.802 126 A HA 0.622 4.942 4.320 -0.000 0.000 0.344 126 A C -2.966 174.315 177.584 -0.505 0.000 1.215 126 A CA -1.696 50.083 52.037 -0.431 0.000 0.821 126 A CB -0.244 18.553 19.000 -0.339 0.000 1.099 126 A HN 0.380 nan 8.150 nan 0.000 0.479 127 P HA 0.242 nan 4.420 nan 0.000 0.262 127 P C -0.217 177.141 177.300 0.096 0.000 1.199 127 P CA 0.368 63.576 63.100 0.180 0.000 0.763 127 P CB 0.816 32.717 31.700 0.334 0.000 0.790 128 V N 2.116 121.967 119.914 -0.105 0.000 3.007 128 V HA 0.775 4.895 4.120 -0.000 0.000 0.311 128 V C -2.568 172.949 176.094 -0.961 0.000 1.120 128 V CA -2.895 59.102 62.300 -0.505 0.000 0.980 128 V CB 2.370 33.956 31.823 -0.396 0.000 1.033 128 V HN 0.270 nan 8.190 nan 0.000 0.429 129 P HA 0.225 nan 4.420 nan 0.000 0.279 129 P C -0.861 176.187 177.300 -0.419 0.000 1.282 129 P CA -0.014 62.426 63.100 -1.099 0.000 0.788 129 P CB 0.699 31.912 31.700 -0.811 0.000 1.139 130 D N 0.112 120.402 120.400 -0.182 0.000 2.390 130 D HA 0.049 4.689 4.640 -0.000 0.000 0.249 130 D C -1.052 175.238 176.300 -0.016 0.000 1.144 130 D CA -1.768 52.191 54.000 -0.070 0.000 0.880 130 D CB 0.457 41.253 40.800 -0.006 0.000 1.182 130 D HN 0.120 nan 8.370 nan 0.000 0.451 131 P HA -0.233 nan 4.420 nan 0.000 0.214 131 P C 0.819 178.207 177.300 0.148 0.000 1.163 131 P CA 1.274 64.420 63.100 0.076 0.000 0.889 131 P CB 0.229 31.951 31.700 0.035 0.000 0.790 132 E N -0.147 120.103 120.200 0.082 0.000 2.058 132 E HA -0.110 4.240 4.350 -0.000 0.000 0.194 132 E C 2.304 178.953 176.600 0.081 0.000 0.997 132 E CA 0.959 57.401 56.400 0.070 0.000 0.801 132 E CB -1.239 28.485 29.700 0.040 0.000 0.746 132 E HN 0.139 nan 8.360 nan 0.000 0.450 133 V N 1.473 121.438 119.914 0.084 0.000 2.295 133 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 133 V C 2.212 178.381 176.094 0.125 0.000 1.049 133 V CA 1.921 64.272 62.300 0.086 0.000 1.024 133 V CB -0.693 31.178 31.823 0.079 0.000 0.648 133 V HN 0.144 nan 8.190 nan 0.000 0.447 134 F N 1.368 121.322 119.950 0.006 0.000 2.091 134 F HA -0.246 4.281 4.527 -0.000 0.000 0.299 134 F C 2.632 178.511 175.800 0.131 0.000 1.103 134 F CA 2.394 60.414 58.000 0.033 0.000 1.228 134 F CB -0.429 38.562 39.000 -0.015 0.000 0.984 134 F HN -0.058 nan 8.300 nan 0.000 0.477 135 R N 0.280 120.825 120.500 0.075 0.000 2.073 135 R HA -0.157 4.183 4.340 -0.000 0.000 0.234 135 R C 2.404 178.679 176.300 -0.041 0.000 1.134 135 R CA 1.409 57.505 56.100 -0.007 0.000 0.952 135 R CB -0.744 29.596 30.300 0.066 0.000 0.850 135 R HN 0.412 nan 8.270 nan 0.000 0.433 136 A N 1.108 123.923 122.820 -0.009 0.000 1.902 136 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 136 A C 2.225 179.794 177.584 -0.025 0.000 1.181 136 A CA 1.273 53.300 52.037 -0.016 0.000 0.623 136 A CB -0.589 18.414 19.000 0.005 0.000 0.818 136 A HN 0.345 nan 8.150 nan 0.000 0.443 137 L N -2.180 119.029 121.223 -0.025 0.000 2.046 137 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 137 L C 2.641 179.490 176.870 -0.035 0.000 1.077 137 L CA 1.519 56.339 54.840 -0.033 0.000 0.747 137 L CB -0.528 41.517 42.059 -0.024 0.000 0.896 137 L HN 0.734 nan 8.230 nan 0.000 0.432 138 W N 1.676 122.779 121.300 -0.327 0.000 2.354 138 W HA -0.176 4.484 4.660 -0.000 0.000 0.315 138 W C 2.759 179.123 176.519 -0.258 0.000 1.206 138 W CA 1.459 58.603 57.345 -0.336 0.000 1.290 138 W CB -0.575 28.616 29.460 -0.448 0.000 1.152 138 W HN 0.031 nan 8.180 nan 0.000 0.489 139 R N -0.376 120.103 120.500 -0.036 0.000 2.091 139 R HA -0.174 4.166 4.340 -0.000 0.000 0.238 139 R C 2.195 178.436 176.300 -0.099 0.000 1.136 139 R CA 1.543 57.566 56.100 -0.128 0.000 0.959 139 R CB -0.503 29.716 30.300 -0.135 0.000 0.856 139 R HN -0.051 nan 8.270 nan 0.000 0.437 140 R N 0.550 121.001 120.500 -0.081 0.000 2.096 140 R HA -0.031 4.309 4.340 -0.000 0.000 0.235 140 R C 2.167 178.382 176.300 -0.142 0.000 1.127 140 R CA 1.484 57.530 56.100 -0.090 0.000 0.968 140 R CB -0.908 29.359 30.300 -0.055 0.000 0.861 140 R HN 0.277 nan 8.270 nan 0.000 0.440 141 A N 1.246 123.963 122.820 -0.172 0.000 1.902 141 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 141 A C 2.088 179.517 177.584 -0.258 0.000 1.181 141 A CA 1.447 53.322 52.037 -0.270 0.000 0.623 141 A CB -0.339 18.316 19.000 -0.576 0.000 0.818 141 A HN 0.362 nan 8.150 nan 0.000 0.443 142 E N -0.388 119.703 120.200 -0.183 0.000 2.051 142 E HA -0.105 4.245 4.350 -0.000 0.000 0.192 142 E C 2.335 178.897 176.600 -0.063 0.000 0.991 142 E CA 0.938 57.331 56.400 -0.010 0.000 0.799 142 E CB -0.289 29.427 29.700 0.027 0.000 0.748 142 E HN 0.602 nan 8.360 nan 0.000 0.449 143 A N 0.992 123.749 122.820 -0.106 0.000 1.972 143 A HA -0.134 4.185 4.320 -0.000 0.000 0.219 143 A C 2.044 179.529 177.584 -0.166 0.000 1.169 143 A CA 1.032 53.003 52.037 -0.109 0.000 0.635 143 A CB -0.438 18.504 19.000 -0.097 0.000 0.810 143 A HN 0.152 nan 8.150 nan 0.000 0.446 144 L N -1.136 119.910 121.223 -0.295 0.000 2.591 144 L HA 0.176 4.516 4.340 -0.000 0.000 0.228 144 L C 1.582 178.136 176.870 -0.527 0.000 1.133 144 L CA 0.407 54.914 54.840 -0.555 0.000 0.880 144 L CB -0.349 41.067 42.059 -1.071 0.000 1.033 144 L HN 0.557 nan 8.230 nan 0.000 0.450 145 G N -0.077 108.593 108.800 -0.216 0.000 2.249 145 G HA2 -0.321 3.638 3.960 -0.000 0.000 0.273 145 G HA3 -0.321 3.638 3.960 -0.000 0.000 0.273 145 G C -0.030 174.976 174.900 0.177 0.000 1.036 145 G CA -0.154 44.943 45.100 -0.005 0.000 0.824 145 G HN 0.448 nan 8.290 nan 0.000 0.504 146 Y N 0.847 121.202 120.300 0.092 0.000 2.341 146 Y HA 0.354 4.904 4.550 -0.000 0.000 0.340 146 Y C -1.311 174.720 175.900 0.218 0.000 0.997 146 Y CA -2.489 55.676 58.100 0.108 0.000 1.149 146 Y CB 1.370 39.869 38.460 0.065 0.000 1.171 146 Y HN 0.073 nan 8.280 nan 0.000 0.494 147 P HA -0.040 nan 4.420 nan 0.000 0.267 147 P C -0.971 176.530 177.300 0.335 0.000 1.200 147 P CA 0.803 64.064 63.100 0.269 0.000 0.772 147 P CB 0.796 32.576 31.700 0.133 0.000 0.855 148 H N -0.221 118.893 119.070 0.073 0.000 3.003 148 H HA 0.510 5.066 4.556 -0.000 0.000 0.327 148 H C -0.907 174.414 175.328 -0.011 0.000 1.353 148 H CA -0.997 55.071 56.048 0.034 0.000 1.142 148 H CB 0.901 30.686 29.762 0.039 0.000 1.864 148 H HN 0.252 nan 8.280 nan 0.000 0.529 149 R N 0.976 121.469 120.500 -0.011 0.000 2.670 149 R HA 0.580 4.920 4.340 -0.000 0.000 0.289 149 R C -0.879 175.352 176.300 -0.115 0.000 0.965 149 R CA -1.115 54.927 56.100 -0.096 0.000 0.899 149 R CB 2.631 32.902 30.300 -0.049 0.000 1.173 149 R HN 0.427 nan 8.270 nan 0.000 0.456 150 V N 1.672 121.458 119.914 -0.214 0.000 2.448 150 V HA 0.858 4.978 4.120 -0.000 0.000 0.295 150 V C 0.531 176.540 176.094 -0.141 0.000 1.025 150 V CA -0.308 61.822 62.300 -0.284 0.000 0.859 150 V CB 1.526 32.883 31.823 -0.777 0.000 0.988 150 V HN 1.013 nan 8.190 nan 0.000 0.431 151 G N 3.631 112.399 108.800 -0.053 0.000 2.335 151 G HA2 0.389 4.349 3.960 -0.000 0.000 0.291 151 G HA3 0.389 4.349 3.960 -0.000 0.000 0.291 151 G C -1.722 173.160 174.900 -0.030 0.000 1.261 151 G CA -0.932 44.144 45.100 -0.041 0.000 0.871 151 G HN 0.541 nan 8.290 nan 0.000 0.491 152 L N 0.564 121.762 121.223 -0.042 0.000 2.375 152 L HA 0.701 5.041 4.340 -0.000 0.000 0.271 152 L C 0.549 177.361 176.870 -0.098 0.000 1.107 152 L CA -0.925 53.880 54.840 -0.060 0.000 0.806 152 L CB 1.472 43.495 42.059 -0.061 0.000 1.146 152 L HN 0.662 nan 8.230 nan 0.000 0.447 153 V N -0.519 119.314 119.914 -0.135 0.000 3.102 153 V HA 0.934 5.054 4.120 -0.000 0.000 0.312 153 V C -0.531 175.346 176.094 -0.362 0.000 1.135 153 V CA -0.856 61.306 62.300 -0.230 0.000 1.022 153 V CB 1.796 33.528 31.823 -0.151 0.000 1.056 153 V HN 0.790 nan 8.190 nan 0.000 0.436 154 A N 1.335 123.795 122.820 -0.600 0.000 2.318 154 A HA 0.794 5.114 4.320 -0.000 0.000 0.317 154 A C 0.014 177.328 177.584 -0.450 0.000 1.159 154 A CA -0.444 51.166 52.037 -0.713 0.000 0.799 154 A CB 1.086 19.267 19.000 -1.365 0.000 1.194 154 A HN 0.981 nan 8.150 nan 0.000 0.479 155 S N 2.118 117.644 115.700 -0.290 0.000 2.430 155 S HA 0.405 4.875 4.470 -0.000 0.000 0.289 155 S C 0.031 174.569 174.600 -0.102 0.000 1.143 155 S CA -0.466 57.636 58.200 -0.164 0.000 1.067 155 S CB 0.360 63.467 63.200 -0.155 0.000 0.964 155 S HN 0.801 nan 8.310 nan 0.000 0.485 156 E N 2.129 122.318 120.200 -0.018 0.000 2.281 156 E HA 0.506 4.856 4.350 -0.000 0.000 0.262 156 E C -0.764 175.855 176.600 0.032 0.000 0.933 156 E CA -0.876 55.540 56.400 0.026 0.000 0.809 156 E CB 0.957 30.717 29.700 0.101 0.000 1.242 156 E HN 0.180 nan 8.360 nan 0.000 0.418 157 D N 0.445 120.867 120.400 0.037 0.000 2.338 157 D HA 0.125 4.765 4.640 -0.000 0.000 0.224 157 D C 0.120 176.460 176.300 0.067 0.000 0.967 157 D CA 0.747 54.773 54.000 0.043 0.000 0.896 157 D CB 0.255 41.076 40.800 0.035 0.000 1.028 157 D HN 0.514 nan 8.370 nan 0.000 0.493 158 A N 0.619 123.477 122.820 0.064 0.000 2.621 158 A HA 0.236 4.556 4.320 -0.000 0.000 0.329 158 A C 0.592 178.216 177.584 0.067 0.000 1.458 158 A CA -0.510 51.578 52.037 0.086 0.000 1.052 158 A CB -0.629 18.415 19.000 0.072 0.000 1.142 158 A HN 0.092 nan 8.150 nan 0.000 0.523 159 F N 2.524 122.439 119.950 -0.058 0.000 2.091 159 F HA -0.251 4.276 4.527 -0.000 0.000 0.299 159 F C 1.221 176.844 175.800 -0.295 0.000 1.103 159 F CA 2.195 60.073 58.000 -0.203 0.000 1.228 159 F CB -0.105 38.721 39.000 -0.290 0.000 0.984 159 F HN 0.678 nan 8.300 nan 0.000 0.477 160 Y N -0.454 119.947 120.300 0.169 0.000 2.471 160 Y HA 0.254 4.804 4.550 -0.000 0.000 0.286 160 Y C 1.899 177.780 175.900 -0.032 0.000 1.188 160 Y CA 0.157 58.292 58.100 0.058 0.000 1.286 160 Y CB -0.518 38.024 38.460 0.136 0.000 1.072 160 Y HN 0.175 nan 8.280 nan 0.000 0.517 161 A N -0.813 122.028 122.820 0.036 0.000 1.911 161 A HA 0.015 4.335 4.320 -0.000 0.000 0.212 161 A C 1.316 178.866 177.584 -0.056 0.000 1.189 161 A CA 0.441 52.486 52.037 0.013 0.000 0.639 161 A CB -0.577 18.440 19.000 0.028 0.000 0.839 161 A HN 0.151 nan 8.150 nan 0.000 0.449 162 T N 2.505 116.961 114.554 -0.163 0.000 2.829 162 T HA 0.352 4.702 4.350 -0.000 0.000 0.293 162 T C 0.454 175.026 174.700 -0.214 0.000 0.970 162 T CA 0.737 62.696 62.100 -0.236 0.000 1.168 162 T CB 0.164 68.718 68.868 -0.523 0.000 0.911 162 T HN 0.568 nan 8.240 nan 0.000 0.535 163 T N 1.782 116.261 114.554 -0.125 0.000 2.907 163 T HA 0.366 4.716 4.350 -0.000 0.000 0.284 163 T C -1.922 172.722 174.700 -0.094 0.000 1.004 163 T CA -2.343 59.702 62.100 -0.091 0.000 1.063 163 T CB 1.513 70.357 68.868 -0.041 0.000 0.992 163 T HN 0.077 nan 8.240 nan 0.000 0.483 164 P HA -0.153 nan 4.420 nan 0.000 0.217 164 P C 1.331 178.619 177.300 -0.021 0.000 1.151 164 P CA 1.163 64.229 63.100 -0.057 0.000 0.849 164 P CB 0.147 31.822 31.700 -0.041 0.000 0.787 165 E N 0.029 120.219 120.200 -0.017 0.000 2.106 165 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 165 E C 1.718 178.325 176.600 0.011 0.000 0.984 165 E CA 0.992 57.389 56.400 -0.005 0.000 0.806 165 E CB -0.233 29.460 29.700 -0.011 0.000 0.750 165 E HN 0.295 nan 8.360 nan 0.000 0.458 166 E N 0.078 120.289 120.200 0.018 0.000 2.152 166 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 166 E C 1.998 178.715 176.600 0.194 0.000 0.983 166 E CA 0.660 57.102 56.400 0.071 0.000 0.818 166 E CB -0.017 29.730 29.700 0.078 0.000 0.758 166 E HN 0.351 nan 8.360 nan 0.000 0.467 167 A N 1.695 124.588 122.820 0.123 0.000 1.873 167 A HA -0.155 4.165 4.320 -0.000 0.000 0.215 167 A C 2.082 179.832 177.584 0.277 0.000 1.186 167 A CA 1.057 53.235 52.037 0.235 0.000 0.616 167 A CB -0.352 18.663 19.000 0.025 0.000 0.823 167 A HN 0.047 nan 8.150 nan 0.000 0.442 168 R N -0.546 120.032 120.500 0.131 0.000 2.127 168 R HA -0.139 4.201 4.340 -0.000 0.000 0.238 168 R C 2.391 178.733 176.300 0.070 0.000 1.134 168 R CA 1.143 57.295 56.100 0.087 0.000 0.975 168 R CB -0.419 29.899 30.300 0.030 0.000 0.865 168 R HN 0.546 nan 8.270 nan 0.000 0.447 169 A N -0.025 122.828 122.820 0.056 0.000 1.898 169 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 169 A C 1.750 179.344 177.584 0.016 0.000 1.181 169 A CA 0.954 52.962 52.037 -0.049 0.000 0.620 169 A CB -0.799 18.134 19.000 -0.112 0.000 0.819 169 A HN 0.466 nan 8.150 nan 0.000 0.442 170 W N -0.347 121.077 121.300 0.206 0.000 2.402 170 W HA 0.017 4.677 4.660 -0.000 0.000 0.286 170 W C 2.651 179.267 176.519 0.161 0.000 1.221 170 W CA 0.905 58.413 57.345 0.271 0.000 1.257 170 W CB 0.080 29.721 29.460 0.302 0.000 1.120 170 W HN 0.410 nan 8.180 nan 0.000 0.551 171 A N 0.437 123.455 122.820 0.329 0.000 1.972 171 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 171 A C 1.871 179.511 177.584 0.093 0.000 1.169 171 A CA 1.190 53.337 52.037 0.183 0.000 0.635 171 A CB -0.583 18.496 19.000 0.131 0.000 0.810 171 A HN 0.282 nan 8.150 nan 0.000 0.446 172 R N -2.051 118.447 120.500 -0.003 0.000 2.285 172 R HA -0.074 4.266 4.340 -0.000 0.000 0.213 172 R C 0.491 176.677 176.300 -0.189 0.000 1.068 172 R CA 0.961 56.968 56.100 -0.155 0.000 1.004 172 R CB -0.200 29.913 30.300 -0.313 0.000 0.873 172 R HN 0.670 nan 8.270 nan 0.000 0.467 173 Y N -1.067 119.281 120.300 0.079 0.000 2.485 173 Y HA 0.250 4.800 4.550 -0.000 0.000 0.260 173 Y C 1.506 177.464 175.900 0.096 0.000 1.173 173 Y CA 0.253 58.407 58.100 0.090 0.000 1.252 173 Y CB 1.066 39.615 38.460 0.149 0.000 1.123 173 Y HN 0.210 nan 8.280 nan 0.000 0.524 174 G N -0.527 108.389 108.800 0.195 0.000 2.179 174 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.220 174 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.220 174 G C -0.162 174.787 174.900 0.080 0.000 0.990 174 G CA -0.020 45.149 45.100 0.114 0.000 0.646 174 G HN 0.039 nan 8.290 nan 0.000 0.517 175 V N 2.510 122.494 119.914 0.118 0.000 2.446 175 V HA 0.277 4.397 4.120 -0.000 0.000 0.276 175 V C 1.918 178.004 176.094 -0.013 0.000 1.030 175 V CA 0.512 62.802 62.300 -0.016 0.000 1.033 175 V CB 1.056 32.818 31.823 -0.103 0.000 0.993 175 V HN 0.338 nan 8.190 nan 0.000 0.477 176 L N 4.268 125.460 121.223 -0.052 0.000 2.127 176 L HA 0.347 4.687 4.340 -0.000 0.000 0.203 176 L C 1.012 177.877 176.870 -0.008 0.000 1.080 176 L CA 1.274 56.104 54.840 -0.017 0.000 0.768 176 L CB -0.125 41.920 42.059 -0.024 0.000 0.924 176 L HN 0.771 nan 8.230 nan 0.000 0.444 177 A N -1.462 121.311 122.820 -0.077 0.000 2.599 177 A HA 0.658 4.978 4.320 -0.000 0.000 0.290 177 A C -1.852 175.633 177.584 -0.165 0.000 1.101 177 A CA -0.489 51.541 52.037 -0.012 0.000 0.674 177 A CB 0.843 19.854 19.000 0.018 0.000 1.277 177 A HN -0.076 nan 8.150 nan 0.000 0.419 178 F N 0.706 120.597 119.950 -0.099 0.000 2.469 178 F HA 0.622 5.149 4.527 -0.000 0.000 0.332 178 F C 0.570 176.309 175.800 -0.102 0.000 1.103 178 F CA 0.038 57.957 58.000 -0.135 0.000 0.979 178 F CB 2.204 41.101 39.000 -0.171 0.000 1.137 178 F HN 0.809 nan 8.300 nan 0.000 0.463 179 E N 0.963 121.183 120.200 0.033 0.000 2.433 179 E HA 0.636 4.986 4.350 -0.000 0.000 0.264 179 E C -1.053 175.549 176.600 0.004 0.000 0.960 179 E CA -0.812 55.599 56.400 0.019 0.000 0.866 179 E CB 1.466 31.148 29.700 -0.029 0.000 1.615 179 E HN 0.489 nan 8.360 nan 0.000 0.442 180 M N -0.174 119.422 119.600 -0.007 0.000 2.747 180 M HA 0.376 4.856 4.480 -0.000 0.000 0.402 180 M C -0.535 175.734 176.300 -0.051 0.000 1.238 180 M CA 0.154 55.445 55.300 -0.014 0.000 0.877 180 M CB 0.723 33.342 32.600 0.031 0.000 1.424 180 M HN 0.550 nan 8.290 nan 0.000 0.511 181 E N -0.097 120.045 120.200 -0.097 0.000 2.614 181 E HA 0.314 4.664 4.350 -0.000 0.000 0.201 181 E C 1.794 178.261 176.600 -0.222 0.000 0.889 181 E CA 0.636 56.962 56.400 -0.122 0.000 1.564 181 E CB 0.037 29.681 29.700 -0.094 0.000 1.623 181 E HN 0.312 nan 8.360 nan 0.000 0.898 182 A N 1.515 124.140 122.820 -0.325 0.000 1.881 182 A HA -0.331 3.989 4.320 -0.000 0.000 0.219 182 A C 2.285 179.404 177.584 -0.775 0.000 1.215 182 A CA 3.032 54.661 52.037 -0.681 0.000 0.648 182 A CB -1.321 17.255 19.000 -0.707 0.000 0.832 182 A HN 0.345 nan 8.150 nan 0.000 0.455 183 S N 0.408 115.858 115.700 -0.418 0.000 2.378 183 S HA -0.194 4.276 4.470 -0.000 0.000 0.229 183 S C 2.110 176.648 174.600 -0.103 0.000 1.052 183 S CA 2.210 60.298 58.200 -0.186 0.000 1.084 183 S CB -1.126 62.025 63.200 -0.082 0.000 0.950 183 S HN 1.302 nan 8.310 nan 0.000 0.440 184 A N 1.429 124.182 122.820 -0.112 0.000 1.969 184 A HA 0.139 4.459 4.320 -0.000 0.000 0.218 184 A C 2.224 179.750 177.584 -0.096 0.000 1.169 184 A CA 1.443 53.433 52.037 -0.079 0.000 0.635 184 A CB -0.766 18.214 19.000 -0.034 0.000 0.810 184 A HN 0.549 nan 8.150 nan 0.000 0.445 185 L N -0.811 120.331 121.223 -0.136 0.000 2.005 185 L HA -0.041 4.299 4.340 -0.000 0.000 0.207 185 L C 2.274 179.207 176.870 0.105 0.000 1.072 185 L CA 1.862 56.662 54.840 -0.066 0.000 0.744 185 L CB -0.902 41.075 42.059 -0.136 0.000 0.895 185 L HN 0.469 nan 8.230 nan 0.000 0.433 186 F N -1.224 118.719 119.950 -0.011 0.000 2.095 186 F HA -0.293 4.234 4.527 -0.000 0.000 0.298 186 F C 2.420 178.235 175.800 0.025 0.000 1.104 186 F CA 0.826 58.833 58.000 0.011 0.000 1.232 186 F CB -0.485 38.528 39.000 0.021 0.000 0.987 186 F HN 0.264 nan 8.300 nan 0.000 0.475 187 L N 0.951 122.296 121.223 0.203 0.000 1.970 187 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 187 L C 2.096 178.912 176.870 -0.090 0.000 1.071 187 L CA 1.734 56.588 54.840 0.025 0.000 0.751 187 L CB -1.018 40.946 42.059 -0.157 0.000 0.889 187 L HN 0.092 nan 8.230 nan 0.000 0.432 188 L N -0.428 120.700 121.223 -0.159 0.000 2.127 188 L HA -0.167 4.173 4.340 -0.000 0.000 0.211 188 L C 2.523 179.349 176.870 -0.074 0.000 1.089 188 L CA 1.163 55.883 54.840 -0.199 0.000 0.757 188 L CB -1.407 40.526 42.059 -0.210 0.000 0.899 188 L HN 0.540 nan 8.230 nan 0.000 0.434 189 G N -0.287 108.517 108.800 0.007 0.000 2.446 189 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 189 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 189 G C 1.741 176.653 174.900 0.020 0.000 1.168 189 G CA 0.404 45.527 45.100 0.038 0.000 0.771 189 G HN 0.168 nan 8.290 nan 0.000 0.551 190 R N -0.228 120.292 120.500 0.033 0.000 2.090 190 R HA 0.204 4.544 4.340 -0.000 0.000 0.228 190 R C 2.689 178.989 176.300 -0.000 0.000 1.110 190 R CA 0.671 56.791 56.100 0.033 0.000 0.973 190 R CB -0.706 29.651 30.300 0.095 0.000 0.869 190 R HN 0.430 nan 8.270 nan 0.000 0.440 191 M N 0.266 119.840 119.600 -0.043 0.000 2.175 191 M HA -0.092 4.388 4.480 -0.000 0.000 0.264 191 M C 1.289 177.561 176.300 -0.047 0.000 1.063 191 M CA 1.500 56.759 55.300 -0.068 0.000 1.119 191 M CB 0.019 32.529 32.600 -0.150 0.000 1.377 191 M HN -0.135 nan 8.290 nan 0.000 0.415 192 R N -0.098 120.375 120.500 -0.045 0.000 2.362 192 R HA 0.258 4.598 4.340 -0.000 0.000 0.227 192 R C 0.822 177.116 176.300 -0.010 0.000 0.905 192 R CA 0.429 56.513 56.100 -0.026 0.000 1.067 192 R CB -0.422 29.860 30.300 -0.031 0.000 1.078 192 R HN 0.517 nan 8.270 nan 0.000 0.516 193 G N 1.499 110.296 108.800 -0.005 0.000 2.246 193 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.273 193 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.273 193 G C 0.187 175.091 174.900 0.006 0.000 1.055 193 G CA 0.569 45.670 45.100 0.003 0.000 0.851 193 G HN 0.270 nan 8.290 nan 0.000 0.500 194 V N -3.990 115.929 119.914 0.009 0.000 3.046 194 V HA 0.893 5.013 4.120 -0.000 0.000 0.316 194 V C 0.298 176.407 176.094 0.024 0.000 1.104 194 V CA -1.993 60.317 62.300 0.016 0.000 1.006 194 V CB 1.683 33.516 31.823 0.018 0.000 1.058 194 V HN 0.318 nan 8.190 nan 0.000 0.440 195 R N 1.596 122.113 120.500 0.028 0.000 2.229 195 R HA 0.653 4.993 4.340 -0.000 0.000 0.328 195 R C 0.040 176.372 176.300 0.054 0.000 1.009 195 R CA -0.048 56.072 56.100 0.033 0.000 0.864 195 R CB 1.492 31.810 30.300 0.030 0.000 1.085 195 R HN 1.059 nan 8.270 nan 0.000 0.453 196 T N -1.035 113.560 114.554 0.070 0.000 2.910 196 T HA 0.891 5.241 4.350 -0.000 0.000 0.287 196 T C 0.208 174.995 174.700 0.146 0.000 1.050 196 T CA -0.858 61.321 62.100 0.132 0.000 1.011 196 T CB 2.356 71.357 68.868 0.222 0.000 1.195 196 T HN 0.630 nan 8.240 nan 0.000 0.540 197 G N -1.072 107.882 108.800 0.256 0.000 2.576 197 G HA2 0.745 4.705 3.960 -0.000 0.000 0.290 197 G HA3 0.745 4.705 3.960 -0.000 0.000 0.290 197 G C -1.848 173.272 174.900 0.368 0.000 1.442 197 G CA -0.475 44.799 45.100 0.290 0.000 0.792 197 G HN 1.335 nan 8.290 nan 0.000 0.491 198 A N -0.190 122.846 122.820 0.358 0.000 2.488 198 A HA 0.756 5.076 4.320 -0.000 0.000 0.295 198 A C -1.460 176.225 177.584 0.167 0.000 1.045 198 A CA -0.410 51.766 52.037 0.230 0.000 0.703 198 A CB 1.393 20.507 19.000 0.189 0.000 1.271 198 A HN 1.623 nan 8.150 nan 0.000 0.400 199 I N 2.761 123.385 120.570 0.091 0.000 2.498 199 I HA 0.728 4.898 4.170 -0.000 0.000 0.290 199 I C -1.677 174.463 176.117 0.039 0.000 1.032 199 I CA -1.094 60.243 61.300 0.062 0.000 1.073 199 I CB 1.331 39.356 38.000 0.041 0.000 1.251 199 I HN 0.648 nan 8.210 nan 0.000 0.426 200 L N 7.119 128.362 121.223 0.033 0.000 2.354 200 L HA 0.805 5.145 4.340 -0.000 0.000 0.264 200 L C -0.426 176.454 176.870 0.016 0.000 1.008 200 L CA -0.749 54.101 54.840 0.017 0.000 0.819 200 L CB 1.975 44.040 42.059 0.009 0.000 1.339 200 L HN 0.644 nan 8.230 nan 0.000 0.420 201 A N 1.960 124.784 122.820 0.007 0.000 2.273 201 A HA 0.655 4.974 4.320 -0.000 0.000 0.315 201 A C -0.403 177.182 177.584 0.001 0.000 1.256 201 A CA -0.546 51.492 52.037 0.002 0.000 0.851 201 A CB 0.917 19.911 19.000 -0.010 0.000 1.172 201 A HN 0.392 nan 8.150 nan 0.000 0.508 202 V N 3.151 123.069 119.914 0.006 0.000 2.599 202 V HA 0.125 4.245 4.120 -0.000 0.000 0.300 202 V C 1.373 177.469 176.094 0.002 0.000 1.034 202 V CA 1.336 63.641 62.300 0.009 0.000 1.115 202 V CB 0.938 32.767 31.823 0.012 0.000 0.934 202 V HN 1.135 nan 8.190 nan 0.000 0.485 203 S N 2.249 117.953 115.700 0.007 0.000 2.578 203 S HA 0.263 4.733 4.470 -0.000 0.000 0.228 203 S C 0.206 174.810 174.600 0.007 0.000 1.022 203 S CA 0.050 58.250 58.200 0.001 0.000 0.967 203 S CB -0.125 63.075 63.200 -0.001 0.000 0.914 203 S HN 1.018 nan 8.310 nan 0.000 0.515 204 N N 0.113 118.820 118.700 0.012 0.000 3.356 204 N HA 0.312 5.052 4.740 -0.000 0.000 0.246 204 N C -1.550 173.964 175.510 0.005 0.000 1.480 204 N CA -1.085 51.971 53.050 0.010 0.000 0.877 204 N CB 0.778 39.276 38.487 0.018 0.000 1.431 204 N HN 0.095 nan 8.380 nan 0.000 0.500 205 R N 0.877 121.374 120.500 -0.004 0.000 2.371 205 R HA 0.475 4.815 4.340 -0.000 0.000 0.312 205 R C -0.565 175.713 176.300 -0.037 0.000 0.980 205 R CA -0.742 55.354 56.100 -0.007 0.000 0.867 205 R CB 0.480 30.780 30.300 -0.000 0.000 1.163 205 R HN 0.659 nan 8.270 nan 0.000 0.492 206 I N 4.384 124.911 120.570 -0.071 0.000 3.435 206 I HA -0.331 3.839 4.170 -0.000 0.000 0.354 206 I C 1.223 177.268 176.117 -0.120 0.000 1.211 206 I CA 2.159 63.366 61.300 -0.156 0.000 1.512 206 I CB 0.117 37.973 38.000 -0.241 0.000 1.295 206 I HN 1.152 nan 8.210 nan 0.000 0.472 207 G N 4.389 113.115 108.800 -0.124 0.000 2.428 207 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.199 207 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.199 207 G C 0.003 174.886 174.900 -0.028 0.000 1.005 207 G CA -0.454 44.604 45.100 -0.070 0.000 0.671 207 G HN 0.572 nan 8.290 nan 0.000 0.485 208 D N 1.895 122.281 120.400 -0.023 0.000 2.458 208 D HA 0.369 5.009 4.640 -0.000 0.000 0.243 208 D C -0.956 175.365 176.300 0.034 0.000 1.146 208 D CA -0.564 53.439 54.000 0.006 0.000 0.877 208 D CB 1.470 42.273 40.800 0.006 0.000 1.176 208 D HN 0.134 nan 8.370 nan 0.000 0.461 209 P HA -0.023 nan 4.420 nan 0.000 0.223 209 P C 0.001 177.342 177.300 0.068 0.000 1.151 209 P CA 0.967 64.106 63.100 0.065 0.000 0.787 209 P CB 0.606 32.333 31.700 0.045 0.000 0.788 210 E N -2.069 118.159 120.200 0.047 0.000 2.450 210 E HA 0.419 4.769 4.350 -0.000 0.000 0.272 210 E C -0.432 176.187 176.600 0.031 0.000 0.967 210 E CA -0.967 55.455 56.400 0.038 0.000 0.818 210 E CB 1.326 31.039 29.700 0.021 0.000 1.401 210 E HN -0.154 nan 8.360 nan 0.000 0.450 211 L N 0.520 121.754 121.223 0.019 0.000 2.569 211 L HA 0.594 4.934 4.340 -0.000 0.000 0.247 211 L C 0.315 177.184 176.870 -0.001 0.000 1.135 211 L CA -0.695 54.151 54.840 0.010 0.000 0.812 211 L CB 0.449 42.507 42.059 -0.003 0.000 1.431 211 L HN 0.554 nan 8.230 nan 0.000 0.499 212 A N -0.283 122.532 122.820 -0.008 0.000 2.286 212 A HA 0.555 4.875 4.320 -0.000 0.000 0.286 212 A C -2.342 175.229 177.584 -0.021 0.000 1.097 212 A CA -1.431 50.598 52.037 -0.012 0.000 0.821 212 A CB -0.291 18.701 19.000 -0.013 0.000 1.076 212 A HN 0.435 nan 8.150 nan 0.000 0.490 213 P HA 0.058 nan 4.420 nan 0.000 0.258 213 P C -1.910 175.370 177.300 -0.034 0.000 1.172 213 P CA -0.465 62.622 63.100 -0.022 0.000 0.762 213 P CB 0.100 31.790 31.700 -0.017 0.000 0.764 214 P HA -0.323 nan 4.420 nan 0.000 0.222 214 P C 1.484 178.747 177.300 -0.062 0.000 1.159 214 P CA 1.845 64.909 63.100 -0.060 0.000 0.920 214 P CB -0.155 31.511 31.700 -0.056 0.000 0.793 215 E N -0.774 119.400 120.200 -0.043 0.000 2.058 215 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 215 E C 1.843 178.422 176.600 -0.036 0.000 0.997 215 E CA 1.637 58.016 56.400 -0.036 0.000 0.801 215 E CB -1.290 28.397 29.700 -0.022 0.000 0.746 215 E HN 0.059 nan 8.360 nan 0.000 0.450 216 V N 1.308 121.204 119.914 -0.031 0.000 2.343 216 V HA -0.223 3.897 4.120 -0.000 0.000 0.247 216 V C 2.412 178.484 176.094 -0.036 0.000 1.051 216 V CA 1.647 63.930 62.300 -0.027 0.000 1.036 216 V CB -0.544 31.268 31.823 -0.020 0.000 0.654 216 V HN 0.251 nan 8.190 nan 0.000 0.451 217 L N -0.042 121.154 121.223 -0.045 0.000 2.179 217 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 217 L C 2.310 179.133 176.870 -0.079 0.000 1.096 217 L CA 1.814 56.621 54.840 -0.055 0.000 0.779 217 L CB -0.842 41.184 42.059 -0.056 0.000 0.922 217 L HN 0.308 nan 8.230 nan 0.000 0.443 218 Q N 0.285 120.028 119.800 -0.096 0.000 2.050 218 Q HA -0.260 4.080 4.340 -0.000 0.000 0.202 218 Q C 2.183 178.133 176.000 -0.084 0.000 0.980 218 Q CA 2.087 57.809 55.803 -0.136 0.000 0.840 218 Q CB -0.372 28.280 28.738 -0.143 0.000 0.898 218 Q HN 0.581 nan 8.270 nan 0.000 0.424 219 E N -0.717 119.452 120.200 -0.052 0.000 2.160 219 E HA -0.106 4.244 4.350 -0.000 0.000 0.195 219 E C 1.750 178.312 176.600 -0.064 0.000 0.991 219 E CA 1.666 58.042 56.400 -0.040 0.000 0.810 219 E CB -0.946 28.726 29.700 -0.047 0.000 0.742 219 E HN 0.459 nan 8.360 nan 0.000 0.466 220 G N -0.062 108.700 108.800 -0.063 0.000 2.421 220 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 220 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 220 G C 1.739 176.617 174.900 -0.037 0.000 1.171 220 G CA 1.003 46.067 45.100 -0.060 0.000 0.775 220 G HN 0.264 nan 8.290 nan 0.000 0.543 221 V N 0.662 120.551 119.914 -0.041 0.000 2.407 221 V HA -0.159 3.961 4.120 -0.000 0.000 0.248 221 V C 2.779 178.933 176.094 0.101 0.000 1.055 221 V CA 2.082 64.370 62.300 -0.020 0.000 1.049 221 V CB -0.462 31.282 31.823 -0.132 0.000 0.662 221 V HN 0.388 nan 8.190 nan 0.000 0.455 222 R N 0.031 120.627 120.500 0.160 0.000 2.073 222 R HA -0.148 4.192 4.340 -0.000 0.000 0.234 222 R C 2.587 179.042 176.300 0.259 0.000 1.134 222 R CA 1.594 57.940 56.100 0.410 0.000 0.952 222 R CB -0.167 30.355 30.300 0.369 0.000 0.850 222 R HN 0.430 nan 8.270 nan 0.000 0.433 223 R N 0.202 120.727 120.500 0.041 0.000 2.073 223 R HA -0.165 4.175 4.340 -0.000 0.000 0.234 223 R C 2.458 178.816 176.300 0.096 0.000 1.134 223 R CA 1.988 58.050 56.100 -0.063 0.000 0.952 223 R CB -0.456 29.556 30.300 -0.481 0.000 0.850 223 R HN 0.347 nan 8.270 nan 0.000 0.433 224 M N 0.848 120.477 119.600 0.048 0.000 2.082 224 M HA -0.197 4.283 4.480 -0.000 0.000 0.258 224 M C 1.937 178.237 176.300 -0.001 0.000 1.069 224 M CA 1.837 57.161 55.300 0.039 0.000 1.102 224 M CB -0.045 32.568 32.600 0.021 0.000 1.336 224 M HN -0.002 nan 8.290 nan 0.000 0.404 225 V N 0.654 120.544 119.914 -0.040 0.000 2.295 225 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 225 V C 2.313 178.212 176.094 -0.324 0.000 1.049 225 V CA 2.400 64.551 62.300 -0.248 0.000 1.024 225 V CB -1.110 30.433 31.823 -0.467 0.000 0.648 225 V HN 0.620 nan 8.190 nan 0.000 0.447 226 E N 0.206 120.334 120.200 -0.119 0.000 2.038 226 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 226 E C 2.239 178.843 176.600 0.007 0.000 1.000 226 E CA 1.894 58.313 56.400 0.031 0.000 0.803 226 E CB -0.104 29.795 29.700 0.331 0.000 0.750 226 E HN 0.375 nan 8.360 nan 0.000 0.448 227 V N 1.340 121.299 119.914 0.075 0.000 2.252 227 V HA -0.335 3.785 4.120 -0.000 0.000 0.249 227 V C 2.490 178.566 176.094 -0.029 0.000 1.056 227 V CA 2.059 64.381 62.300 0.036 0.000 1.022 227 V CB -0.944 30.919 31.823 0.066 0.000 0.641 227 V HN 0.496 nan 8.190 nan 0.000 0.445 228 A N -0.587 122.198 122.820 -0.059 0.000 1.908 228 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 228 A C 2.226 179.732 177.584 -0.129 0.000 1.181 228 A CA 1.994 53.984 52.037 -0.079 0.000 0.627 228 A CB -0.541 18.407 19.000 -0.086 0.000 0.818 228 A HN 0.518 nan 8.150 nan 0.000 0.445 229 L N -0.805 120.270 121.223 -0.246 0.000 2.056 229 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 229 L C 2.695 179.457 176.870 -0.180 0.000 1.078 229 L CA 1.179 55.790 54.840 -0.381 0.000 0.749 229 L CB -0.540 40.970 42.059 -0.915 0.000 0.901 229 L HN 0.343 nan 8.230 nan 0.000 0.433 230 E N 0.328 120.484 120.200 -0.073 0.000 2.077 230 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 230 E C 2.269 178.885 176.600 0.027 0.000 0.989 230 E CA 1.449 57.883 56.400 0.055 0.000 0.800 230 E CB -0.253 29.478 29.700 0.053 0.000 0.746 230 E HN 0.471 nan 8.360 nan 0.000 0.452 231 A N 1.412 124.228 122.820 -0.006 0.000 1.902 231 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 231 A C 2.561 180.152 177.584 0.011 0.000 1.181 231 A CA 2.017 54.054 52.037 0.000 0.000 0.623 231 A CB -0.883 18.114 19.000 -0.005 0.000 0.818 231 A HN 0.216 nan 8.150 nan 0.000 0.443 232 V N -2.797 117.118 119.914 0.002 0.000 2.720 232 V HA -0.133 3.987 4.120 -0.000 0.000 0.256 232 V C 2.047 178.162 176.094 0.035 0.000 1.082 232 V CA 1.819 64.129 62.300 0.016 0.000 1.101 232 V CB -0.816 31.009 31.823 0.005 0.000 0.693 232 V HN 0.253 nan 8.190 nan 0.000 0.479 233 L N 0.066 121.320 121.223 0.052 0.000 2.341 233 L HA 0.136 4.476 4.340 -0.000 0.000 0.214 233 L C 2.657 179.555 176.870 0.047 0.000 1.115 233 L CA 1.299 56.181 54.840 0.069 0.000 0.820 233 L CB -0.790 41.339 42.059 0.118 0.000 0.944 233 L HN 0.279 nan 8.230 nan 0.000 0.452 234 E N -0.143 120.078 120.200 0.036 0.000 2.072 234 E HA -0.068 4.282 4.350 -0.000 0.000 0.191 234 E C 0.988 177.600 176.600 0.019 0.000 0.985 234 E CA 1.063 57.476 56.400 0.022 0.000 0.801 234 E CB -0.254 29.453 29.700 0.012 0.000 0.750 234 E HN 0.368 nan 8.360 nan 0.000 0.452 235 V N 0.000 119.927 119.914 0.022 0.000 2.409 235 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 235 V CA 0.000 62.313 62.300 0.022 0.000 1.235 235 V CB 0.000 31.838 31.823 0.026 0.000 1.184 235 V HN 0.000 nan 8.190 nan 0.000 0.556