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 1h6s_1_1 DATA FIRST_RESID 1 DATA SEQUENCE EISLNGYGRF GLQYVEDRGV GLEDTIISSR LRINIVGTTE TDQGVTFGAK DATA SEQUENCE LRMQWDDGDA FAGTAGNAAQ FWTSYNGVTV SVGNVDTAFD SVALTYDSEM DATA SEQUENCE GYEASSFGDA QSSFFAYNSK YDASGALDNY NGIAVTYSIS GVNLYLSYVD DATA SEQUENCE PDQTVDSSLV TEEFGIAADW SNDMISLAAA YTTDAGGIVD NDIAFVGAAY DATA SEQUENCE KFNDAGTVGL NWYDNGLSTA GDQVTLYGNY AFGATTVRAY VSDIDRAGAD DATA SEQUENCE TAYGIGADYQ FAEGVKVSGS VQSGFANETV ADVGVRFDF 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 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.624 176.600 0.040 0.000 1.382 1 E CA 0.000 56.423 56.400 0.038 0.000 0.976 1 E CB 0.000 29.730 29.700 0.049 0.000 0.812 2 I N 3.294 123.889 120.570 0.041 0.000 2.478 2 I HA 0.318 4.491 4.170 0.004 0.000 0.287 2 I C -0.427 175.721 176.117 0.053 0.000 1.042 2 I CA -0.609 60.717 61.300 0.044 0.000 1.067 2 I CB 1.931 39.951 38.000 0.033 0.000 1.233 2 I HN 0.474 nan 8.210 nan 0.000 0.431 3 S N 7.084 122.824 115.700 0.068 0.000 2.532 3 S HA 0.773 5.246 4.470 0.004 0.000 0.301 3 S C -0.832 173.815 174.600 0.079 0.000 1.083 3 S CA -0.885 57.359 58.200 0.073 0.000 1.025 3 S CB 2.084 65.332 63.200 0.081 0.000 1.056 3 S HN 0.451 nan 8.310 nan 0.000 0.494 4 L N 3.056 124.329 121.223 0.082 0.000 2.325 4 L HA 0.565 4.908 4.340 0.004 0.000 0.281 4 L C -0.531 176.418 176.870 0.131 0.000 1.004 4 L CA -0.639 54.258 54.840 0.095 0.000 0.823 4 L CB 1.100 43.206 42.059 0.079 0.000 1.236 4 L HN 0.978 nan 8.230 nan 0.000 0.415 5 N N 1.761 120.546 118.700 0.142 0.000 2.629 5 N HA 0.927 5.669 4.740 0.004 0.000 0.279 5 N C -0.398 175.222 175.510 0.183 0.000 1.344 5 N CA -0.308 52.846 53.050 0.173 0.000 0.789 5 N CB 2.613 41.163 38.487 0.106 0.000 1.508 5 N HN 0.644 nan 8.380 nan 0.000 0.516 6 G N -1.777 107.088 108.800 0.108 0.000 2.344 6 G HA2 0.397 4.359 3.960 0.004 0.000 0.282 6 G HA3 0.397 4.359 3.960 0.004 0.000 0.282 6 G C -2.253 172.272 174.900 -0.625 0.000 1.281 6 G CA -0.219 44.831 45.100 -0.083 0.000 0.877 6 G HN 1.289 nan 8.290 nan 0.000 0.494 7 Y N -2.057 117.730 120.300 -0.856 0.000 2.713 7 Y HA 0.802 5.354 4.550 0.005 0.000 0.335 7 Y C -0.185 175.276 175.900 -0.732 0.000 1.222 7 Y CA -1.040 56.349 58.100 -1.185 0.000 1.061 7 Y CB 0.969 39.053 38.460 -0.626 0.000 1.314 7 Y HN 1.574 nan 8.280 nan 0.000 0.453 8 G N 1.003 109.440 108.800 -0.605 0.000 2.563 8 G HA2 0.748 4.711 3.960 0.004 0.000 0.302 8 G HA3 0.748 4.711 3.960 0.004 0.000 0.302 8 G C -1.876 172.712 174.900 -0.520 0.000 1.301 8 G CA -1.393 43.397 45.100 -0.518 0.000 0.965 8 G HN 1.087 nan 8.290 nan 0.000 0.480 9 R N -0.356 120.156 120.500 0.019 0.000 2.594 9 R HA 0.752 5.095 4.340 0.004 0.000 0.265 9 R C -1.753 174.775 176.300 0.380 0.000 1.070 9 R CA -0.934 55.234 56.100 0.114 0.000 0.909 9 R CB 1.524 31.908 30.300 0.141 0.000 1.243 9 R HN 0.956 nan 8.270 nan 0.000 0.455 10 F N -0.650 119.466 119.950 0.275 0.000 2.713 10 F HA 0.926 5.456 4.527 0.005 0.000 0.311 10 F C -0.565 175.113 175.800 -0.203 0.000 1.141 10 F CA -0.252 57.880 58.000 0.219 0.000 0.939 10 F CB 1.471 40.598 39.000 0.213 0.000 1.325 10 F HN 0.989 nan 8.300 nan 0.000 0.453 11 G N 0.548 109.427 108.800 0.132 0.000 2.336 11 G HA2 0.411 4.373 3.960 0.004 0.000 0.286 11 G HA3 0.411 4.373 3.960 0.004 0.000 0.286 11 G C -2.471 172.480 174.900 0.084 0.000 1.269 11 G CA -1.015 43.966 45.100 -0.199 0.000 0.873 11 G HN 0.847 nan 8.290 nan 0.000 0.494 12 L N 0.915 122.171 121.223 0.055 0.000 2.289 12 L HA 0.613 4.955 4.340 0.004 0.000 0.285 12 L C 0.224 177.252 176.870 0.263 0.000 1.049 12 L CA -0.518 54.419 54.840 0.161 0.000 0.804 12 L CB 1.788 43.911 42.059 0.106 0.000 1.195 12 L HN 0.592 nan 8.230 nan 0.000 0.428 13 Q N 3.039 122.985 119.800 0.242 0.000 2.333 13 Q HA 0.317 4.660 4.340 0.004 0.000 0.268 13 Q C -1.888 174.228 176.000 0.193 0.000 1.007 13 Q CA -0.655 55.273 55.803 0.209 0.000 0.810 13 Q CB 1.929 30.744 28.738 0.127 0.000 1.264 13 Q HN 0.550 nan 8.270 nan 0.000 0.452 14 Y N 3.428 123.766 120.300 0.064 0.000 2.429 14 Y HA 0.616 5.168 4.550 0.004 0.000 0.342 14 Y C -1.638 174.282 175.900 0.034 0.000 1.004 14 Y CA -0.789 57.338 58.100 0.045 0.000 1.075 14 Y CB 1.831 40.318 38.460 0.046 0.000 1.214 14 Y HN 0.369 nan 8.280 nan 0.000 0.455 15 V N 6.455 125.839 119.914 -0.884 0.000 2.624 15 V HA 0.317 4.439 4.120 0.004 0.000 0.294 15 V C -1.072 174.532 176.094 -0.817 0.000 1.077 15 V CA -0.621 61.274 62.300 -0.675 0.000 0.905 15 V CB 1.269 32.936 31.823 -0.260 0.000 1.025 15 V HN 0.940 nan 8.190 nan 0.000 0.440 16 E N 5.109 124.846 120.200 -0.772 0.000 2.480 16 E HA 0.051 4.403 4.350 0.004 0.000 0.258 16 E C -0.127 176.376 176.600 -0.161 0.000 0.984 16 E CA 0.915 57.122 56.400 -0.322 0.000 0.930 16 E CB 0.307 29.997 29.700 -0.018 0.000 0.936 16 E HN 0.837 nan 8.360 nan 0.000 0.466 17 D N 3.196 123.541 120.400 -0.090 0.000 2.697 17 D HA -0.244 4.399 4.640 0.004 0.000 0.238 17 D C 0.729 176.986 176.300 -0.071 0.000 1.152 17 D CA 0.800 54.769 54.000 -0.052 0.000 0.666 17 D CB -0.700 40.084 40.800 -0.027 0.000 1.037 17 D HN 0.659 nan 8.370 nan 0.000 0.423 18 R N 0.671 121.112 120.500 -0.098 0.000 2.303 18 R HA 0.005 4.347 4.340 0.004 0.000 0.225 18 R C 1.001 177.268 176.300 -0.054 0.000 1.114 18 R CA 1.563 57.609 56.100 -0.090 0.000 1.007 18 R CB 0.084 30.323 30.300 -0.101 0.000 0.861 18 R HN 0.439 nan 8.270 nan 0.000 0.471 19 G N -0.696 108.081 108.800 -0.040 0.000 2.318 19 G HA2 -0.032 3.931 3.960 0.004 0.000 0.302 19 G HA3 -0.032 3.931 3.960 0.004 0.000 0.302 19 G C -1.328 173.561 174.900 -0.018 0.000 1.633 19 G CA -0.397 44.686 45.100 -0.027 0.000 0.965 19 G HN 0.106 nan 8.290 nan 0.000 0.698 20 V N 2.294 122.200 119.914 -0.013 0.000 2.540 20 V HA 0.455 4.578 4.120 0.004 0.000 0.297 20 V C 1.655 177.746 176.094 -0.006 0.000 1.024 20 V CA 2.478 64.774 62.300 -0.007 0.000 1.105 20 V CB 0.722 32.542 31.823 -0.006 0.000 0.938 20 V HN 2.948 nan 8.190 nan 0.000 0.482 21 G N 4.570 113.369 108.800 -0.002 0.000 2.179 21 G HA2 -0.222 3.741 3.960 0.004 0.000 0.260 21 G HA3 -0.222 3.741 3.960 0.004 0.000 0.260 21 G C -0.017 174.883 174.900 -0.000 0.000 0.977 21 G CA 0.451 45.551 45.100 -0.000 0.000 0.641 21 G HN 0.882 nan 8.290 nan 0.000 0.533 22 L N 0.068 121.289 121.223 -0.004 0.000 2.344 22 L HA 0.673 5.016 4.340 0.004 0.000 0.272 22 L C 0.408 177.279 176.870 0.000 0.000 1.035 22 L CA -1.106 53.731 54.840 -0.006 0.000 0.807 22 L CB 1.559 43.608 42.059 -0.016 0.000 1.237 22 L HN 0.112 nan 8.230 nan 0.000 0.442 23 E N 0.839 121.043 120.200 0.007 0.000 2.259 23 E HA 0.022 4.374 4.350 0.004 0.000 0.281 23 E C 0.168 176.776 176.600 0.014 0.000 1.037 23 E CA -0.061 56.352 56.400 0.021 0.000 0.854 23 E CB 0.834 30.552 29.700 0.030 0.000 1.051 23 E HN 0.382 nan 8.360 nan 0.000 0.409 24 D N 2.352 122.768 120.400 0.028 0.000 2.117 24 D HA -0.076 4.566 4.640 0.004 0.000 0.197 24 D C -0.061 176.255 176.300 0.026 0.000 0.987 24 D CA 1.178 55.166 54.000 -0.021 0.000 0.829 24 D CB 0.143 40.956 40.800 0.022 0.000 0.961 24 D HN 0.348 nan 8.370 nan 0.000 0.460 25 T N 1.267 115.905 114.554 0.141 0.000 2.794 25 T HA 0.572 4.925 4.350 0.004 0.000 0.280 25 T C 0.356 175.120 174.700 0.106 0.000 0.987 25 T CA -0.623 61.581 62.100 0.173 0.000 0.993 25 T CB 1.439 70.446 68.868 0.233 0.000 0.939 25 T HN 0.031 nan 8.240 nan 0.000 0.449 26 I N -0.494 120.137 120.570 0.100 0.000 3.239 26 I HA 0.659 4.832 4.170 0.004 0.000 0.314 26 I C -1.109 175.077 176.117 0.115 0.000 1.126 26 I CA -1.691 59.660 61.300 0.086 0.000 0.973 26 I CB 2.011 40.046 38.000 0.057 0.000 1.252 26 I HN 0.458 nan 8.210 nan 0.000 0.463 27 I N 2.608 123.247 120.570 0.115 0.000 2.282 27 I HA 0.209 4.382 4.170 0.004 0.000 0.290 27 I C 0.271 176.499 176.117 0.184 0.000 1.090 27 I CA -0.027 61.366 61.300 0.154 0.000 1.231 27 I CB 1.128 39.202 38.000 0.122 0.000 1.434 27 I HN 0.558 nan 8.210 nan 0.000 0.487 28 S N 4.549 120.390 115.700 0.234 0.000 2.562 28 S HA 0.621 5.093 4.470 0.004 0.000 0.275 28 S C -0.121 174.675 174.600 0.327 0.000 1.281 28 S CA -0.384 57.937 58.200 0.202 0.000 1.045 28 S CB 0.645 63.928 63.200 0.138 0.000 0.962 28 S HN 0.733 nan 8.310 nan 0.000 0.503 29 S N 3.926 119.776 115.700 0.251 0.000 2.547 29 S HA 0.705 5.178 4.470 0.004 0.000 0.270 29 S C -1.074 173.697 174.600 0.285 0.000 1.150 29 S CA -1.125 57.309 58.200 0.390 0.000 0.850 29 S CB 1.641 65.147 63.200 0.511 0.000 1.118 29 S HN 0.905 nan 8.310 nan 0.000 0.461 30 R N 0.698 121.406 120.500 0.348 0.000 2.626 30 R HA 0.735 5.078 4.340 0.004 0.000 0.274 30 R C -2.357 174.123 176.300 0.300 0.000 1.031 30 R CA -0.927 55.334 56.100 0.269 0.000 0.898 30 R CB 1.569 31.942 30.300 0.121 0.000 1.222 30 R HN 0.727 nan 8.270 nan 0.000 0.455 31 L N 3.524 124.933 121.223 0.310 0.000 2.356 31 L HA 0.610 4.952 4.340 0.004 0.000 0.277 31 L C -1.273 175.600 176.870 0.005 0.000 0.996 31 L CA -0.342 54.609 54.840 0.185 0.000 0.822 31 L CB 1.627 43.844 42.059 0.264 0.000 1.256 31 L HN 0.777 nan 8.230 nan 0.000 0.413 32 R N 5.837 126.198 120.500 -0.231 0.000 2.513 32 R HA 0.728 5.071 4.340 0.004 0.000 0.301 32 R C -1.844 174.376 176.300 -0.133 0.000 0.968 32 R CA -0.572 55.338 56.100 -0.315 0.000 0.872 32 R CB 1.257 31.084 30.300 -0.788 0.000 1.177 32 R HN 0.791 nan 8.270 nan 0.000 0.444 33 I N 3.968 124.533 120.570 -0.010 0.000 2.466 33 I HA 0.318 4.491 4.170 0.004 0.000 0.289 33 I C -0.750 175.399 176.117 0.053 0.000 1.026 33 I CA -1.096 60.250 61.300 0.076 0.000 1.078 33 I CB 2.095 40.157 38.000 0.102 0.000 1.249 33 I HN 0.548 nan 8.210 nan 0.000 0.429 34 N N 7.511 126.250 118.700 0.065 0.000 2.400 34 N HA 0.551 5.294 4.740 0.004 0.000 0.288 34 N C -0.841 174.718 175.510 0.081 0.000 1.024 34 N CA -0.373 52.717 53.050 0.067 0.000 0.894 34 N CB 2.599 41.117 38.487 0.053 0.000 1.173 34 N HN 0.446 nan 8.380 nan 0.000 0.487 35 I N 1.999 122.616 120.570 0.078 0.000 2.354 35 I HA 0.283 4.455 4.170 0.004 0.000 0.286 35 I C -0.461 175.705 176.117 0.082 0.000 1.007 35 I CA -0.846 60.496 61.300 0.071 0.000 1.167 35 I CB 1.396 39.428 38.000 0.053 0.000 1.320 35 I HN -0.002 nan 8.210 nan 0.000 0.458 36 V N 5.037 125.009 119.914 0.096 0.000 2.409 36 V HA 0.628 4.751 4.120 0.004 0.000 0.291 36 V C 0.485 176.631 176.094 0.087 0.000 1.020 36 V CA -0.585 61.793 62.300 0.130 0.000 0.848 36 V CB 1.520 33.463 31.823 0.200 0.000 0.990 36 V HN 0.852 nan 8.190 nan 0.000 0.430 37 G N 2.621 111.440 108.800 0.032 0.000 2.368 37 G HA2 0.668 4.631 3.960 0.004 0.000 0.320 37 G HA3 0.668 4.631 3.960 0.004 0.000 0.320 37 G C -0.187 174.687 174.900 -0.044 0.000 1.158 37 G CA -0.295 44.805 45.100 -0.001 0.000 0.912 37 G HN 0.806 nan 8.290 nan 0.000 0.456 38 T N -1.272 113.287 114.554 0.008 0.000 2.893 38 T HA 0.736 5.089 4.350 0.004 0.000 0.291 38 T C -0.508 174.216 174.700 0.040 0.000 1.028 38 T CA -0.762 61.343 62.100 0.008 0.000 0.995 38 T CB 2.277 71.205 68.868 0.100 0.000 1.051 38 T HN 0.281 nan 8.240 nan 0.000 0.470 39 T N 2.686 117.283 114.554 0.071 0.000 2.892 39 T HA 0.402 4.755 4.350 0.004 0.000 0.311 39 T C -0.541 174.260 174.700 0.168 0.000 1.033 39 T CA -0.691 61.471 62.100 0.104 0.000 0.991 39 T CB 0.920 69.839 68.868 0.084 0.000 0.981 39 T HN 0.705 nan 8.240 nan 0.000 0.457 40 E N 1.991 122.267 120.200 0.126 0.000 2.283 40 E HA 0.615 4.968 4.350 0.004 0.000 0.271 40 E C 0.099 176.775 176.600 0.127 0.000 1.031 40 E CA -0.902 55.575 56.400 0.128 0.000 0.868 40 E CB 1.197 30.957 29.700 0.100 0.000 1.094 40 E HN 0.631 nan 8.360 nan 0.000 0.401 41 T N -1.964 112.667 114.554 0.128 0.000 2.906 41 T HA 0.186 4.539 4.350 0.004 0.000 0.295 41 T C 0.148 174.900 174.700 0.088 0.000 1.061 41 T CA -0.962 61.205 62.100 0.112 0.000 1.000 41 T CB 1.320 70.275 68.868 0.146 0.000 1.103 41 T HN 0.450 nan 8.240 nan 0.000 0.486 42 D N 0.263 120.705 120.400 0.070 0.000 2.378 42 D HA -0.069 4.574 4.640 0.004 0.000 0.227 42 D C 1.384 177.723 176.300 0.066 0.000 1.012 42 D CA 0.371 54.409 54.000 0.062 0.000 0.905 42 D CB -0.062 40.767 40.800 0.048 0.000 0.895 42 D HN 0.385 nan 8.370 nan 0.000 0.532 43 Q N 0.050 119.890 119.800 0.065 0.000 2.444 43 Q HA 0.181 4.524 4.340 0.004 0.000 0.206 43 Q C 1.493 177.547 176.000 0.090 0.000 0.948 43 Q CA 0.720 56.554 55.803 0.052 0.000 0.946 43 Q CB 0.234 28.981 28.738 0.014 0.000 1.027 43 Q HN 0.534 nan 8.270 nan 0.000 0.513 44 G N 0.126 108.998 108.800 0.120 0.000 2.136 44 G HA2 -0.237 3.725 3.960 0.004 0.000 0.242 44 G HA3 -0.237 3.725 3.960 0.004 0.000 0.242 44 G C 0.005 175.048 174.900 0.239 0.000 0.989 44 G CA 0.305 45.522 45.100 0.194 0.000 0.682 44 G HN 0.218 nan 8.290 nan 0.000 0.522 45 V N 0.703 120.675 119.914 0.097 0.000 2.459 45 V HA 0.727 4.849 4.120 0.004 0.000 0.295 45 V C 0.385 176.439 176.094 -0.067 0.000 1.029 45 V CA -0.229 62.060 62.300 -0.018 0.000 0.874 45 V CB 1.931 33.630 31.823 -0.207 0.000 0.985 45 V HN 0.270 nan 8.190 nan 0.000 0.438 46 T N 5.233 119.714 114.554 -0.123 0.000 2.797 46 T HA 0.666 5.019 4.350 0.004 0.000 0.279 46 T C -0.767 173.769 174.700 -0.274 0.000 0.991 46 T CA -0.076 61.990 62.100 -0.056 0.000 0.979 46 T CB 0.661 69.600 68.868 0.118 0.000 0.943 46 T HN 0.300 nan 8.240 nan 0.000 0.444 47 F N 1.416 121.338 119.950 -0.047 0.000 2.469 47 F HA 0.735 5.265 4.527 0.004 0.000 0.332 47 F C 0.893 176.438 175.800 -0.425 0.000 1.103 47 F CA -0.432 57.448 58.000 -0.200 0.000 0.979 47 F CB 2.149 41.077 39.000 -0.120 0.000 1.137 47 F HN 0.736 nan 8.300 nan 0.000 0.463 48 G N 0.599 108.934 108.800 -0.775 0.000 2.704 48 G HA2 0.766 4.728 3.960 0.004 0.000 0.293 48 G HA3 0.766 4.728 3.960 0.004 0.000 0.293 48 G C -2.241 171.918 174.900 -1.235 0.000 1.421 48 G CA -0.819 43.540 45.100 -1.236 0.000 0.870 48 G HN 0.876 nan 8.290 nan 0.000 0.492 49 A N 0.352 122.722 122.820 -0.749 0.000 2.515 49 A HA 0.963 5.285 4.320 0.004 0.000 0.298 49 A C -0.707 176.802 177.584 -0.126 0.000 1.059 49 A CA -0.675 51.123 52.037 -0.400 0.000 0.698 49 A CB 2.191 21.010 19.000 -0.302 0.000 1.289 49 A HN 1.461 nan 8.150 nan 0.000 0.404 50 K N 0.251 120.660 120.400 0.014 0.000 2.508 50 K HA 0.862 5.185 4.320 0.004 0.000 0.260 50 K C -1.737 174.897 176.600 0.057 0.000 0.949 50 K CA -0.630 55.728 56.287 0.119 0.000 0.834 50 K CB 1.920 34.584 32.500 0.273 0.000 1.365 50 K HN 0.772 nan 8.250 nan 0.000 0.437 51 L N 0.676 121.941 121.223 0.070 0.000 2.393 51 L HA 0.627 4.969 4.340 0.004 0.000 0.260 51 L C -1.428 175.499 176.870 0.095 0.000 1.002 51 L CA -0.557 54.322 54.840 0.065 0.000 0.818 51 L CB 2.335 44.410 42.059 0.026 0.000 1.369 51 L HN 0.856 nan 8.230 nan 0.000 0.412 52 R N 4.140 124.700 120.500 0.100 0.000 2.561 52 R HA 0.720 5.062 4.340 0.004 0.000 0.297 52 R C -1.707 174.630 176.300 0.062 0.000 0.969 52 R CA -0.587 55.569 56.100 0.093 0.000 0.879 52 R CB 1.524 31.912 30.300 0.146 0.000 1.178 52 R HN 0.765 nan 8.270 nan 0.000 0.445 53 M N 3.912 123.547 119.600 0.058 0.000 2.078 53 M HA 0.286 4.768 4.480 0.004 0.000 0.320 53 M C -1.029 175.310 176.300 0.065 0.000 0.969 53 M CA -0.370 54.972 55.300 0.069 0.000 0.929 53 M CB 2.063 34.705 32.600 0.070 0.000 1.504 53 M HN 0.521 nan 8.290 nan 0.000 0.419 54 Q N 2.949 122.791 119.800 0.071 0.000 2.305 54 Q HA 0.439 4.781 4.340 0.004 0.000 0.271 54 Q C -2.184 173.895 176.000 0.132 0.000 1.046 54 Q CA -0.615 55.224 55.803 0.060 0.000 0.798 54 Q CB 2.701 31.423 28.738 -0.026 0.000 1.286 54 Q HN 0.779 nan 8.270 nan 0.000 0.435 55 W N 4.340 125.631 121.300 -0.015 0.000 2.689 55 W HA 0.552 5.214 4.660 0.004 0.000 0.340 55 W C -1.405 175.113 176.519 -0.002 0.000 1.060 55 W CA -0.283 57.066 57.345 0.007 0.000 1.218 55 W CB 1.539 31.018 29.460 0.031 0.000 1.410 55 W HN 0.534 nan 8.180 nan 0.000 0.528 56 D N 3.673 123.375 120.400 -1.163 0.000 2.601 56 D HA 0.052 4.694 4.640 0.004 0.000 0.230 56 D C -0.819 174.372 176.300 -1.848 0.000 1.106 56 D CA -0.376 52.921 54.000 -1.170 0.000 0.873 56 D CB 1.996 42.456 40.800 -0.566 0.000 1.515 56 D HN 0.501 nan 8.370 nan 0.000 0.468 57 D N -0.256 119.379 120.400 -1.274 0.000 2.443 57 D HA 0.153 4.795 4.640 0.004 0.000 0.239 57 D C 1.079 177.130 176.300 -0.415 0.000 1.136 57 D CA 0.307 53.908 54.000 -0.665 0.000 0.879 57 D CB 1.478 42.188 40.800 -0.149 0.000 1.195 57 D HN 0.698 nan 8.370 nan 0.000 0.443 58 G N 2.289 110.968 108.800 -0.201 0.000 2.258 58 G HA2 -0.255 3.708 3.960 0.004 0.000 0.233 58 G HA3 -0.255 3.708 3.960 0.004 0.000 0.233 58 G C 0.092 174.892 174.900 -0.167 0.000 1.006 58 G CA 0.132 45.143 45.100 -0.149 0.000 0.620 58 G HN 0.679 nan 8.290 nan 0.000 0.511 59 D N 1.874 122.115 120.400 -0.265 0.000 2.548 59 D HA 0.444 5.087 4.640 0.004 0.000 0.231 59 D C 1.107 177.359 176.300 -0.080 0.000 1.142 59 D CA 1.033 54.918 54.000 -0.190 0.000 0.866 59 D CB 0.781 41.444 40.800 -0.228 0.000 1.190 59 D HN 0.911 nan 8.370 nan 0.000 0.469 60 A N 2.242 124.969 122.820 -0.154 0.000 2.498 60 A HA 0.252 4.575 4.320 0.004 0.000 0.239 60 A C 0.418 177.857 177.584 -0.242 0.000 1.068 60 A CA -0.185 51.609 52.037 -0.405 0.000 0.766 60 A CB -0.303 18.254 19.000 -0.737 0.000 1.003 60 A HN 0.596 nan 8.150 nan 0.000 0.497 61 F N -0.458 119.548 119.950 0.093 0.000 2.825 61 F HA -0.288 4.242 4.527 0.004 0.000 0.358 61 F C 1.429 177.295 175.800 0.111 0.000 0.639 61 F CA 1.263 59.314 58.000 0.086 0.000 1.153 61 F CB -2.076 36.967 39.000 0.072 0.000 1.610 61 F HN 2.003 nan 8.300 nan 0.000 0.305 62 A N -0.785 122.194 122.820 0.265 0.000 2.783 62 A HA 0.163 4.486 4.320 0.004 0.000 0.292 62 A C 1.014 178.768 177.584 0.283 0.000 1.495 62 A CA 1.462 53.677 52.037 0.296 0.000 0.787 62 A CB -1.718 17.397 19.000 0.192 0.000 1.017 62 A HN 1.971 nan 8.150 nan 0.000 0.516 63 G N -2.012 107.001 108.800 0.355 0.000 2.714 63 G HA2 0.823 4.785 3.960 0.004 0.000 0.292 63 G HA3 0.823 4.785 3.960 0.004 0.000 0.292 63 G C -0.608 174.503 174.900 0.353 0.000 1.308 63 G CA 0.212 45.482 45.100 0.284 0.000 0.964 63 G HN 0.865 nan 8.290 nan 0.000 0.484 64 T N -0.510 114.187 114.554 0.238 0.000 2.952 64 T HA 0.746 5.098 4.350 0.004 0.000 0.305 64 T C -0.102 174.694 174.700 0.160 0.000 1.064 64 T CA 0.047 62.294 62.100 0.246 0.000 1.008 64 T CB 1.686 70.678 68.868 0.207 0.000 1.078 64 T HN 1.154 nan 8.240 nan 0.000 0.459 65 A N 1.787 124.716 122.820 0.183 0.000 2.507 65 A HA 1.038 5.360 4.320 0.004 0.000 0.284 65 A C 0.053 177.709 177.584 0.119 0.000 1.281 65 A CA -0.619 51.486 52.037 0.114 0.000 0.744 65 A CB 0.937 19.973 19.000 0.060 0.000 1.332 65 A HN 1.041 nan 8.150 nan 0.000 0.454 66 G N -0.185 108.665 108.800 0.083 0.000 2.461 66 G HA2 0.503 4.466 3.960 0.004 0.000 0.329 66 G HA3 0.503 4.466 3.960 0.004 0.000 0.329 66 G C -0.376 174.570 174.900 0.077 0.000 1.170 66 G CA -0.320 44.821 45.100 0.069 0.000 0.935 66 G HN 0.989 nan 8.290 nan 0.000 0.492 67 N N -0.616 118.107 118.700 0.038 0.000 2.717 67 N HA 0.611 5.353 4.740 0.004 0.000 0.314 67 N C -0.072 175.429 175.510 -0.015 0.000 1.324 67 N CA -0.365 52.682 53.050 -0.004 0.000 0.902 67 N CB 0.566 38.990 38.487 -0.105 0.000 1.126 67 N HN 0.613 nan 8.380 nan 0.000 0.579 68 A N -0.741 122.045 122.820 -0.056 0.000 2.328 68 A HA 0.636 4.959 4.320 0.004 0.000 0.284 68 A C 0.532 178.111 177.584 -0.007 0.000 1.160 68 A CA -0.416 51.611 52.037 -0.016 0.000 0.818 68 A CB -0.595 18.393 19.000 -0.020 0.000 1.087 68 A HN 0.925 nan 8.150 nan 0.000 0.504 69 A N 1.844 124.662 122.820 -0.003 0.000 2.536 69 A HA 0.411 4.734 4.320 0.004 0.000 0.234 69 A C 0.394 177.903 177.584 -0.125 0.000 1.076 69 A CA 0.400 52.353 52.037 -0.141 0.000 0.769 69 A CB 0.110 18.915 19.000 -0.325 0.000 1.020 69 A HN 0.922 nan 8.150 nan 0.000 0.508 70 Q N 0.029 119.666 119.800 -0.272 0.000 2.347 70 Q HA 0.641 4.983 4.340 0.004 0.000 0.271 70 Q C -2.034 173.812 176.000 -0.256 0.000 1.064 70 Q CA -0.432 55.366 55.803 -0.008 0.000 0.800 70 Q CB 1.246 30.136 28.738 0.253 0.000 1.304 70 Q HN 0.616 nan 8.270 nan 0.000 0.438 71 F N 2.015 122.118 119.950 0.255 0.000 2.577 71 F HA 0.762 5.292 4.527 0.004 0.000 0.318 71 F C -0.640 175.340 175.800 0.301 0.000 1.065 71 F CA -0.642 57.452 58.000 0.156 0.000 0.929 71 F CB 1.256 40.307 39.000 0.085 0.000 1.237 71 F HN 0.633 nan 8.300 nan 0.000 0.468 72 W N -0.534 120.945 121.300 0.299 0.000 3.066 72 W HA 0.803 5.466 4.660 0.005 0.000 0.330 72 W C -2.283 174.312 176.519 0.127 0.000 1.253 72 W CA -1.240 56.218 57.345 0.188 0.000 1.187 72 W CB 1.228 30.762 29.460 0.124 0.000 1.434 72 W HN 0.437 nan 8.180 nan 0.000 0.572 73 T N 2.389 117.128 114.554 0.308 0.000 2.937 73 T HA 0.553 4.906 4.350 0.004 0.000 0.297 73 T C -1.119 173.680 174.700 0.164 0.000 0.991 73 T CA -0.588 61.521 62.100 0.015 0.000 0.990 73 T CB 1.420 70.218 68.868 -0.117 0.000 0.991 73 T HN 0.469 nan 8.240 nan 0.000 0.440 74 S N 2.452 118.247 115.700 0.159 0.000 2.472 74 S HA 0.768 5.241 4.470 0.004 0.000 0.303 74 S C -1.574 173.127 174.600 0.169 0.000 1.099 74 S CA -0.654 57.652 58.200 0.177 0.000 1.077 74 S CB 0.969 64.293 63.200 0.207 0.000 1.031 74 S HN 0.667 nan 8.310 nan 0.000 0.487 75 Y N 2.467 122.772 120.300 0.008 0.000 2.333 75 Y HA 0.287 4.839 4.550 0.005 0.000 0.319 75 Y C -0.431 175.484 175.900 0.024 0.000 1.200 75 Y CA -0.940 57.158 58.100 -0.003 0.000 1.084 75 Y CB 0.472 38.911 38.460 -0.034 0.000 1.268 75 Y HN 0.776 nan 8.280 nan 0.000 0.422 76 N N 4.007 122.392 118.700 -0.525 0.000 2.740 76 N HA -0.164 4.579 4.740 0.004 0.000 0.248 76 N C 0.920 176.386 175.510 -0.073 0.000 1.062 76 N CA 2.265 55.068 53.050 -0.412 0.000 0.704 76 N CB -1.020 37.084 38.487 -0.637 0.000 0.968 76 N HN 1.581 nan 8.380 nan 0.000 0.547 77 G N -3.264 105.536 108.800 -0.001 0.000 2.212 77 G HA2 -0.322 3.641 3.960 0.004 0.000 0.266 77 G HA3 -0.322 3.641 3.960 0.004 0.000 0.266 77 G C 0.122 175.150 174.900 0.213 0.000 0.978 77 G CA 0.398 45.555 45.100 0.095 0.000 0.632 77 G HN 0.559 nan 8.290 nan 0.000 0.537 78 V N 1.271 121.280 119.914 0.158 0.000 2.472 78 V HA 0.712 4.834 4.120 0.004 0.000 0.290 78 V C 0.292 176.451 176.094 0.108 0.000 1.037 78 V CA 0.193 62.573 62.300 0.133 0.000 0.908 78 V CB 1.771 33.580 31.823 -0.025 0.000 0.985 78 V HN 0.293 nan 8.190 nan 0.000 0.454 79 T N 3.975 118.590 114.554 0.102 0.000 2.881 79 T HA 0.537 4.890 4.350 0.004 0.000 0.291 79 T C -0.610 174.170 174.700 0.133 0.000 0.990 79 T CA -0.408 61.761 62.100 0.115 0.000 0.976 79 T CB 1.628 70.527 68.868 0.052 0.000 0.970 79 T HN 0.332 nan 8.240 nan 0.000 0.438 80 V N 3.576 123.593 119.914 0.172 0.000 2.435 80 V HA 0.754 4.877 4.120 0.004 0.000 0.290 80 V C 0.139 176.388 176.094 0.259 0.000 1.030 80 V CA -0.773 61.636 62.300 0.182 0.000 0.881 80 V CB 1.543 33.455 31.823 0.149 0.000 0.983 80 V HN 1.057 nan 8.190 nan 0.000 0.445 81 S N 3.675 119.533 115.700 0.263 0.000 2.568 81 S HA 0.934 5.407 4.470 0.004 0.000 0.293 81 S C -0.894 173.889 174.600 0.305 0.000 1.089 81 S CA -0.740 57.662 58.200 0.337 0.000 0.945 81 S CB 2.129 65.521 63.200 0.320 0.000 1.077 81 S HN 0.454 nan 8.310 nan 0.000 0.485 82 V N 0.763 120.894 119.914 0.361 0.000 3.102 82 V HA 0.944 5.067 4.120 0.004 0.000 0.312 82 V C 1.072 177.412 176.094 0.411 0.000 1.135 82 V CA 0.177 62.673 62.300 0.326 0.000 1.022 82 V CB 0.857 32.829 31.823 0.248 0.000 1.056 82 V HN 1.707 nan 8.190 nan 0.000 0.436 83 G N 2.460 111.459 108.800 0.332 0.000 2.554 83 G HA2 -0.254 3.708 3.960 0.004 0.000 0.253 83 G HA3 -0.254 3.708 3.960 0.004 0.000 0.253 83 G C 0.018 175.114 174.900 0.326 0.000 1.172 83 G CA 0.406 45.715 45.100 0.348 0.000 0.950 83 G HN 1.059 nan 8.290 nan 0.000 0.557 84 N N 1.419 120.300 118.700 0.302 0.000 2.605 84 N HA 0.423 5.166 4.740 0.004 0.000 0.258 84 N C 0.428 176.176 175.510 0.398 0.000 1.156 84 N CA 0.525 53.740 53.050 0.275 0.000 1.008 84 N CB 0.079 38.613 38.487 0.079 0.000 1.354 84 N HN 1.337 nan 8.380 nan 0.000 0.509 85 V N -0.144 120.000 119.914 0.384 0.000 2.834 85 V HA 0.561 4.683 4.120 0.004 0.000 0.313 85 V C 0.261 176.562 176.094 0.344 0.000 1.060 85 V CA -0.966 61.540 62.300 0.343 0.000 0.989 85 V CB 1.401 33.391 31.823 0.278 0.000 1.041 85 V HN 0.309 nan 8.190 nan 0.000 0.459 86 D N 2.175 122.719 120.400 0.240 0.000 2.341 86 D HA 0.385 5.028 4.640 0.004 0.000 0.245 86 D C 0.326 176.755 176.300 0.215 0.000 1.106 86 D CA 0.330 54.450 54.000 0.201 0.000 0.905 86 D CB 1.788 42.637 40.800 0.082 0.000 1.202 86 D HN 0.992 nan 8.370 nan 0.000 0.426 87 T N -2.439 112.249 114.554 0.224 0.000 2.945 87 T HA 0.532 4.885 4.350 0.004 0.000 0.286 87 T C 1.145 175.917 174.700 0.121 0.000 1.025 87 T CA -0.679 61.546 62.100 0.209 0.000 1.039 87 T CB 1.842 70.880 68.868 0.283 0.000 1.068 87 T HN 0.263 nan 8.240 nan 0.000 0.497 88 A N 1.034 123.914 122.820 0.099 0.000 1.883 88 A HA 0.036 4.359 4.320 0.004 0.000 0.217 88 A C 1.891 179.418 177.584 -0.094 0.000 1.186 88 A CA 1.279 53.322 52.037 0.012 0.000 0.624 88 A CB -1.275 17.766 19.000 0.069 0.000 0.822 88 A HN 0.841 nan 8.150 nan 0.000 0.444 89 F N 0.617 120.442 119.950 -0.209 0.000 2.171 89 F HA -0.158 4.372 4.527 0.005 0.000 0.300 89 F C 1.885 177.435 175.800 -0.417 0.000 1.090 89 F CA 2.079 59.848 58.000 -0.384 0.000 1.293 89 F CB -0.209 38.424 39.000 -0.611 0.000 1.013 89 F HN 0.366 nan 8.300 nan 0.000 0.486 90 D N -1.387 118.987 120.400 -0.045 0.000 2.289 90 D HA -0.068 4.574 4.640 0.004 0.000 0.207 90 D C 2.012 178.315 176.300 0.004 0.000 0.966 90 D CA 1.077 55.152 54.000 0.125 0.000 0.868 90 D CB 0.107 41.139 40.800 0.387 0.000 0.943 90 D HN 0.146 nan 8.370 nan 0.000 0.514 91 S N -0.396 115.203 115.700 -0.167 0.000 2.446 91 S HA 0.036 4.508 4.470 0.004 0.000 0.225 91 S C 0.971 175.220 174.600 -0.586 0.000 1.016 91 S CA 0.242 58.256 58.200 -0.310 0.000 0.943 91 S CB 0.035 63.048 63.200 -0.311 0.000 0.786 91 S HN 0.276 nan 8.310 nan 0.000 0.508 92 V N 0.965 120.457 119.914 -0.704 0.000 3.484 92 V HA 0.524 4.646 4.120 0.004 0.000 0.304 92 V C 0.551 176.461 176.094 -0.307 0.000 1.116 92 V CA -0.955 61.010 62.300 -0.559 0.000 1.187 92 V CB -0.349 31.274 31.823 -0.332 0.000 1.062 92 V HN 0.302 nan 8.190 nan 0.000 0.489 93 A N 1.536 124.286 122.820 -0.117 0.000 2.271 93 A HA 0.727 5.050 4.320 0.004 0.000 0.288 93 A C 0.940 178.502 177.584 -0.036 0.000 1.094 93 A CA -0.079 51.929 52.037 -0.048 0.000 0.828 93 A CB 0.195 19.215 19.000 0.033 0.000 1.091 93 A HN 1.606 nan 8.150 nan 0.000 0.493 94 L N -1.075 120.135 121.223 -0.022 0.000 4.894 94 L HA -0.326 4.017 4.340 0.004 0.000 0.391 94 L C 2.060 178.831 176.870 -0.164 0.000 0.780 94 L CA 1.705 56.560 54.840 0.025 0.000 2.289 94 L CB -1.947 40.244 42.059 0.221 0.000 1.102 94 L HN 0.858 nan 8.230 nan 0.000 0.635 95 T N -1.336 112.927 114.554 -0.484 0.000 2.778 95 T HA -0.183 4.170 4.350 0.004 0.000 0.269 95 T C 1.105 175.369 174.700 -0.726 0.000 1.050 95 T CA 2.328 63.859 62.100 -0.947 0.000 1.137 95 T CB -0.183 67.747 68.868 -1.563 0.000 0.860 95 T HN 0.445 nan 8.240 nan 0.000 0.468 96 Y N 0.178 120.285 120.300 -0.322 0.000 2.481 96 Y HA 0.336 4.889 4.550 0.004 0.000 0.247 96 Y C 1.340 177.056 175.900 -0.307 0.000 1.151 96 Y CA -1.023 56.906 58.100 -0.285 0.000 1.238 96 Y CB 0.187 38.510 38.460 -0.228 0.000 1.179 96 Y HN 0.137 nan 8.280 nan 0.000 0.524 97 D N -0.497 119.752 120.400 -0.252 0.000 2.379 97 D HA -0.081 4.561 4.640 0.004 0.000 0.243 97 D C 1.688 177.649 176.300 -0.565 0.000 1.088 97 D CA 0.942 54.755 54.000 -0.312 0.000 0.925 97 D CB -0.081 40.603 40.800 -0.193 0.000 0.888 97 D HN 0.351 nan 8.370 nan 0.000 0.529 98 S N -1.250 114.093 115.700 -0.595 0.000 2.511 98 S HA 0.069 4.542 4.470 0.004 0.000 0.214 98 S C 0.703 175.158 174.600 -0.243 0.000 0.997 98 S CA -0.507 57.402 58.200 -0.485 0.000 0.908 98 S CB 0.334 63.214 63.200 -0.532 0.000 0.803 98 S HN 0.097 nan 8.310 nan 0.000 0.504 99 E N 1.877 121.950 120.200 -0.212 0.000 2.418 99 E HA 0.397 4.750 4.350 0.004 0.000 0.261 99 E C 0.102 176.672 176.600 -0.050 0.000 1.070 99 E CA 0.261 56.570 56.400 -0.151 0.000 0.931 99 E CB 0.355 29.963 29.700 -0.153 0.000 0.954 99 E HN 0.626 nan 8.360 nan 0.000 0.439 100 M N -1.181 118.405 119.600 -0.023 0.000 2.843 100 M HA 0.699 5.181 4.480 0.004 0.000 0.273 100 M C -0.012 176.293 176.300 0.009 0.000 1.286 100 M CA -0.577 54.743 55.300 0.033 0.000 0.807 100 M CB 1.596 34.267 32.600 0.119 0.000 1.684 100 M HN 0.629 nan 8.290 nan 0.000 0.458 101 G N 0.296 109.127 108.800 0.052 0.000 2.829 101 G HA2 -0.273 3.690 3.960 0.004 0.000 0.628 101 G HA3 -0.273 3.690 3.960 0.004 0.000 0.628 101 G C -0.552 174.395 174.900 0.078 0.000 1.412 101 G CA 0.418 45.566 45.100 0.080 0.000 0.864 101 G HN 1.707 nan 8.290 nan 0.000 0.544 102 Y N -1.397 118.877 120.300 -0.043 0.000 2.516 102 Y HA 0.386 4.938 4.550 0.004 0.000 0.291 102 Y C 1.903 177.748 175.900 -0.092 0.000 1.131 102 Y CA 1.642 59.698 58.100 -0.073 0.000 1.281 102 Y CB 0.064 38.483 38.460 -0.068 0.000 1.013 102 Y HN 0.548 nan 8.280 nan 0.000 0.554 103 E N 1.184 121.083 120.200 -0.501 0.000 2.419 103 E HA 0.375 4.728 4.350 0.004 0.000 0.190 103 E C 0.580 177.007 176.600 -0.287 0.000 1.040 103 E CA 0.172 56.279 56.400 -0.488 0.000 0.900 103 E CB 0.105 29.454 29.700 -0.585 0.000 1.054 103 E HN 0.475 nan 8.360 nan 0.000 0.462 104 A N 1.830 124.524 122.820 -0.210 0.000 2.261 104 A HA -0.201 4.122 4.320 0.004 0.000 0.282 104 A C 0.434 177.895 177.584 -0.204 0.000 1.403 104 A CA 0.867 52.797 52.037 -0.179 0.000 0.753 104 A CB -1.995 16.890 19.000 -0.190 0.000 1.125 104 A HN 0.345 nan 8.150 nan 0.000 0.358 105 S N -0.779 114.801 115.700 -0.200 0.000 2.648 105 S HA 0.923 5.395 4.470 0.004 0.000 0.305 105 S C -0.208 174.239 174.600 -0.255 0.000 1.094 105 S CA 0.081 58.132 58.200 -0.248 0.000 0.983 105 S CB 2.142 65.166 63.200 -0.293 0.000 1.101 105 S HN 2.160 nan 8.310 nan 0.000 0.514 106 S N 0.249 115.740 115.700 -0.349 0.000 2.586 106 S HA 0.387 4.860 4.470 0.004 0.000 0.296 106 S C -0.740 173.634 174.600 -0.376 0.000 1.120 106 S CA -0.739 57.207 58.200 -0.423 0.000 0.927 106 S CB -0.099 62.761 63.200 -0.565 0.000 1.114 106 S HN 0.555 nan 8.310 nan 0.000 0.453 107 F N 3.006 122.876 119.950 -0.133 0.000 2.641 107 F HA 0.195 4.724 4.527 0.004 0.000 0.298 107 F C 2.345 178.132 175.800 -0.023 0.000 1.146 107 F CA 1.056 58.990 58.000 -0.109 0.000 1.464 107 F CB -0.161 38.615 39.000 -0.373 0.000 1.101 107 F HN 0.761 nan 8.300 nan 0.000 0.585 108 G N -1.142 107.586 108.800 -0.120 0.000 2.744 108 G HA2 -0.091 3.872 3.960 0.004 0.000 0.211 108 G HA3 -0.091 3.872 3.960 0.004 0.000 0.211 108 G C 0.321 175.197 174.900 -0.040 0.000 1.143 108 G CA -0.039 45.016 45.100 -0.076 0.000 0.788 108 G HN 0.117 nan 8.290 nan 0.000 0.534 109 D N 0.486 120.832 120.400 -0.091 0.000 2.360 109 D HA 0.472 5.115 4.640 0.004 0.000 0.242 109 D C 0.768 176.932 176.300 -0.227 0.000 1.184 109 D CA -0.058 53.872 54.000 -0.117 0.000 0.930 109 D CB 1.051 41.838 40.800 -0.021 0.000 1.161 109 D HN 0.189 nan 8.370 nan 0.000 0.447 110 A N 1.155 123.643 122.820 -0.553 0.000 2.531 110 A HA 0.028 4.351 4.320 0.004 0.000 0.236 110 A C 0.435 177.904 177.584 -0.193 0.000 1.062 110 A CA 0.032 51.617 52.037 -0.753 0.000 0.760 110 A CB 0.177 18.691 19.000 -0.811 0.000 0.995 110 A HN 0.365 nan 8.150 nan 0.000 0.501 111 Q N 1.184 120.894 119.800 -0.151 0.000 2.286 111 Q HA 0.166 4.509 4.340 0.004 0.000 0.281 111 Q C -0.033 175.945 176.000 -0.037 0.000 0.897 111 Q CA 0.203 55.977 55.803 -0.048 0.000 1.023 111 Q CB -0.081 28.616 28.738 -0.069 0.000 1.151 111 Q HN 0.833 nan 8.270 nan 0.000 0.445 112 S N -1.549 114.167 115.700 0.027 0.000 2.689 112 S HA 0.676 5.148 4.470 0.004 0.000 0.306 112 S C 0.018 174.635 174.600 0.029 0.000 1.104 112 S CA -0.714 57.501 58.200 0.026 0.000 0.973 112 S CB 2.038 65.243 63.200 0.009 0.000 1.121 112 S HN -0.007 nan 8.310 nan 0.000 0.523 113 S N 1.285 116.946 115.700 -0.064 0.000 2.508 113 S HA 0.833 5.305 4.470 0.004 0.000 0.284 113 S C -0.899 173.608 174.600 -0.155 0.000 1.192 113 S CA -0.635 57.441 58.200 -0.207 0.000 1.070 113 S CB -0.178 62.904 63.200 -0.196 0.000 1.004 113 S HN 0.718 nan 8.310 nan 0.000 0.493 114 F N -0.260 119.552 119.950 -0.230 0.000 2.725 114 F HA 0.636 5.166 4.527 0.004 0.000 0.309 114 F C -1.559 174.176 175.800 -0.108 0.000 1.132 114 F CA -1.783 56.040 58.000 -0.295 0.000 0.957 114 F CB 0.223 39.055 39.000 -0.280 0.000 1.286 114 F HN 0.275 nan 8.300 nan 0.000 0.440 115 F N 2.159 122.239 119.950 0.217 0.000 2.459 115 F HA 0.670 5.199 4.527 0.004 0.000 0.346 115 F C 0.645 176.636 175.800 0.318 0.000 1.128 115 F CA -0.079 58.048 58.000 0.211 0.000 1.268 115 F CB 0.799 39.949 39.000 0.250 0.000 1.161 115 F HN 0.928 nan 8.300 nan 0.000 0.583 116 A N 1.930 125.011 122.820 0.436 0.000 2.605 116 A HA 0.431 4.753 4.320 0.004 0.000 0.294 116 A C -1.581 176.153 177.584 0.250 0.000 1.062 116 A CA -0.903 51.350 52.037 0.360 0.000 0.682 116 A CB 0.053 19.253 19.000 0.334 0.000 1.278 116 A HN 0.566 nan 8.150 nan 0.000 0.410 117 Y N 2.323 122.695 120.300 0.120 0.000 2.996 117 Y HA -0.117 4.436 4.550 0.004 0.000 0.367 117 Y C 0.070 175.951 175.900 -0.031 0.000 1.251 117 Y CA 0.908 59.036 58.100 0.047 0.000 1.614 117 Y CB 0.139 38.622 38.460 0.037 0.000 1.123 117 Y HN 0.563 nan 8.280 nan 0.000 0.571 118 N N 5.216 123.543 118.700 -0.622 0.000 2.420 118 N HA 0.066 4.808 4.740 0.004 0.000 0.249 118 N C 0.521 175.585 175.510 -0.742 0.000 1.033 118 N CA 0.116 52.823 53.050 -0.572 0.000 0.944 118 N CB 1.532 39.699 38.487 -0.534 0.000 1.113 118 N HN 0.622 nan 8.380 nan 0.000 0.502 119 S N 1.790 117.223 115.700 -0.445 0.000 2.414 119 S HA 0.019 4.492 4.470 0.004 0.000 0.227 119 S C 0.733 175.209 174.600 -0.207 0.000 1.022 119 S CA 0.961 58.996 58.200 -0.275 0.000 0.958 119 S CB 0.410 63.552 63.200 -0.096 0.000 0.797 119 S HN 0.493 nan 8.310 nan 0.000 0.493 120 K N 0.395 120.650 120.400 -0.240 0.000 2.313 120 K HA 0.442 4.765 4.320 0.004 0.000 0.235 120 K C -0.603 175.857 176.600 -0.233 0.000 1.035 120 K CA -0.945 55.208 56.287 -0.223 0.000 0.868 120 K CB 0.832 33.128 32.500 -0.341 0.000 1.232 120 K HN 0.212 nan 8.250 nan 0.000 0.459 121 Y N -0.983 119.265 120.300 -0.086 0.000 2.220 121 Y HA 0.331 4.884 4.550 0.004 0.000 0.347 121 Y C -0.145 175.708 175.900 -0.078 0.000 1.311 121 Y CA -0.571 57.483 58.100 -0.077 0.000 1.593 121 Y CB 0.427 38.868 38.460 -0.032 0.000 1.419 121 Y HN 0.377 nan 8.280 nan 0.000 0.614 122 D N -0.383 120.079 120.400 0.102 0.000 2.686 122 D HA 0.346 4.988 4.640 0.004 0.000 0.249 122 D C 0.158 176.572 176.300 0.190 0.000 1.260 122 D CA -0.272 53.731 54.000 0.006 0.000 0.910 122 D CB 1.931 42.691 40.800 -0.067 0.000 1.323 122 D HN 0.845 nan 8.370 nan 0.000 0.561 123 A N 2.719 125.681 122.820 0.237 0.000 2.015 123 A HA -0.130 4.192 4.320 0.004 0.000 0.219 123 A C 2.039 179.689 177.584 0.110 0.000 1.163 123 A CA 1.884 54.056 52.037 0.224 0.000 0.646 123 A CB -0.412 18.744 19.000 0.260 0.000 0.806 123 A HN 0.623 nan 8.150 nan 0.000 0.448 124 S N -1.440 114.299 115.700 0.066 0.000 2.400 124 S HA 0.175 4.647 4.470 0.004 0.000 0.232 124 S C 1.711 176.334 174.600 0.039 0.000 1.025 124 S CA 1.633 59.857 58.200 0.040 0.000 0.993 124 S CB -0.680 62.531 63.200 0.018 0.000 0.808 124 S HN 1.980 nan 8.310 nan 0.000 0.478 125 G N 0.396 109.221 108.800 0.042 0.000 2.176 125 G HA2 -0.174 3.789 3.960 0.004 0.000 0.232 125 G HA3 -0.174 3.789 3.960 0.004 0.000 0.232 125 G C 1.025 175.943 174.900 0.030 0.000 0.986 125 G CA 0.486 45.608 45.100 0.036 0.000 0.643 125 G HN 1.283 nan 8.290 nan 0.000 0.522 126 A N 0.051 122.886 122.820 0.025 0.000 1.948 126 A HA 0.215 4.537 4.320 0.004 0.000 0.220 126 A C 2.232 179.835 177.584 0.032 0.000 1.177 126 A CA 1.902 53.957 52.037 0.030 0.000 0.636 126 A CB -0.310 18.706 19.000 0.027 0.000 0.815 126 A HN 0.971 nan 8.150 nan 0.000 0.449 127 L N -0.805 120.414 121.223 -0.006 0.000 2.592 127 L HA 0.030 4.373 4.340 0.004 0.000 0.227 127 L C 1.167 178.052 176.870 0.025 0.000 1.127 127 L CA 0.053 54.876 54.840 -0.028 0.000 0.884 127 L CB -0.364 41.576 42.059 -0.198 0.000 1.065 127 L HN 0.164 nan 8.230 nan 0.000 0.457 128 D N 1.176 121.595 120.400 0.032 0.000 2.191 128 D HA -0.206 4.437 4.640 0.004 0.000 0.195 128 D C 1.150 177.484 176.300 0.057 0.000 1.003 128 D CA 1.399 55.423 54.000 0.040 0.000 0.867 128 D CB -0.068 40.753 40.800 0.035 0.000 0.926 128 D HN 0.290 nan 8.370 nan 0.000 0.450 129 N N -0.936 117.806 118.700 0.070 0.000 2.291 129 N HA -0.030 4.713 4.740 0.004 0.000 0.244 129 N C -0.615 174.949 175.510 0.089 0.000 1.216 129 N CA -0.347 52.745 53.050 0.070 0.000 0.879 129 N CB 0.433 38.947 38.487 0.044 0.000 1.167 129 N HN 0.190 nan 8.380 nan 0.000 0.515 130 Y N 2.368 122.632 120.300 -0.060 0.000 2.587 130 Y HA 0.253 4.805 4.550 0.004 0.000 0.344 130 Y C -0.344 175.508 175.900 -0.079 0.000 1.061 130 Y CA -0.491 57.536 58.100 -0.121 0.000 1.370 130 Y CB -0.148 38.200 38.460 -0.187 0.000 1.163 130 Y HN -0.015 nan 8.280 nan 0.000 0.527 131 N N 3.726 122.353 118.700 -0.122 0.000 2.225 131 N HA 0.738 5.481 4.740 0.004 0.000 0.298 131 N C -0.896 174.511 175.510 -0.172 0.000 1.076 131 N CA -0.296 52.740 53.050 -0.022 0.000 0.792 131 N CB 1.866 40.376 38.487 0.038 0.000 1.498 131 N HN 0.838 nan 8.380 nan 0.000 0.474 132 G N 1.243 110.034 108.800 -0.015 0.000 2.730 132 G HA2 0.694 4.657 3.960 0.004 0.000 0.289 132 G HA3 0.694 4.657 3.960 0.004 0.000 0.289 132 G C -1.532 173.468 174.900 0.166 0.000 1.341 132 G CA -0.428 44.675 45.100 0.005 0.000 0.932 132 G HN 0.454 nan 8.290 nan 0.000 0.481 133 I N 0.412 121.121 120.570 0.231 0.000 2.534 133 I HA 0.663 4.835 4.170 0.004 0.000 0.288 133 I C -0.090 176.184 176.117 0.262 0.000 1.077 133 I CA -1.008 60.447 61.300 0.259 0.000 1.051 133 I CB 1.158 39.326 38.000 0.280 0.000 1.234 133 I HN 0.723 nan 8.210 nan 0.000 0.425 134 A N 5.879 128.839 122.820 0.233 0.000 2.435 134 A HA 0.924 5.247 4.320 0.004 0.000 0.304 134 A C -1.315 176.385 177.584 0.192 0.000 1.064 134 A CA -0.555 51.613 52.037 0.219 0.000 0.727 134 A CB 2.130 21.258 19.000 0.213 0.000 1.284 134 A HN 0.379 nan 8.150 nan 0.000 0.415 135 V N 1.274 121.293 119.914 0.176 0.000 2.760 135 V HA 0.787 4.910 4.120 0.004 0.000 0.309 135 V C -0.135 176.025 176.094 0.111 0.000 1.077 135 V CA -0.139 62.245 62.300 0.140 0.000 0.910 135 V CB 2.188 34.089 31.823 0.130 0.000 1.008 135 V HN 1.268 nan 8.190 nan 0.000 0.424 136 T N 0.904 115.499 114.554 0.069 0.000 2.906 136 T HA 0.809 5.162 4.350 0.004 0.000 0.295 136 T C -1.478 173.255 174.700 0.055 0.000 1.061 136 T CA -0.820 61.260 62.100 -0.033 0.000 1.000 136 T CB 2.340 71.142 68.868 -0.110 0.000 1.103 136 T HN 0.737 nan 8.240 nan 0.000 0.486 137 Y N 0.482 120.670 120.300 -0.186 0.000 2.442 137 Y HA 0.577 5.130 4.550 0.005 0.000 0.330 137 Y C -1.472 174.342 175.900 -0.144 0.000 1.100 137 Y CA -1.184 56.843 58.100 -0.122 0.000 1.034 137 Y CB 2.193 40.612 38.460 -0.068 0.000 1.285 137 Y HN 0.849 nan 8.280 nan 0.000 0.440 138 S N 7.248 122.562 115.700 -0.643 0.000 2.520 138 S HA 0.406 4.879 4.470 0.004 0.000 0.324 138 S C -0.104 174.026 174.600 -0.783 0.000 1.069 138 S CA -0.590 57.270 58.200 -0.567 0.000 1.121 138 S CB 0.495 63.519 63.200 -0.293 0.000 0.971 138 S HN 0.683 nan 8.310 nan 0.000 0.463 139 I N 3.545 123.718 120.570 -0.663 0.000 2.781 139 I HA 0.206 4.379 4.170 0.004 0.000 0.303 139 I C 0.096 176.110 176.117 -0.173 0.000 1.161 139 I CA 0.167 61.208 61.300 -0.432 0.000 1.341 139 I CB -0.620 37.227 38.000 -0.256 0.000 1.585 139 I HN 0.704 nan 8.210 nan 0.000 0.567 140 S N 3.669 119.274 115.700 -0.157 0.000 3.984 140 S HA -0.156 4.316 4.470 0.004 0.000 0.510 140 S C 1.113 175.716 174.600 0.005 0.000 0.814 140 S CA 1.028 59.188 58.200 -0.067 0.000 1.277 140 S CB -0.998 62.181 63.200 -0.035 0.000 1.820 140 S HN 1.507 nan 8.310 nan 0.000 0.521 141 G N 2.893 111.689 108.800 -0.006 0.000 2.640 141 G HA2 -0.282 3.681 3.960 0.004 0.000 0.226 141 G HA3 -0.282 3.681 3.960 0.004 0.000 0.226 141 G C 0.303 175.280 174.900 0.128 0.000 1.222 141 G CA 0.116 45.239 45.100 0.039 0.000 0.729 141 G HN 1.732 nan 8.290 nan 0.000 0.516 142 V N 1.605 121.614 119.914 0.158 0.000 2.539 142 V HA 0.564 4.687 4.120 0.004 0.000 0.292 142 V C 0.117 176.200 176.094 -0.018 0.000 1.045 142 V CA -0.398 61.987 62.300 0.142 0.000 0.945 142 V CB 1.507 33.394 31.823 0.107 0.000 0.993 142 V HN 0.495 nan 8.190 nan 0.000 0.464 143 N N 3.935 122.636 118.700 0.002 0.000 2.346 143 N HA 0.559 5.301 4.740 0.004 0.000 0.289 143 N C -1.668 173.727 175.510 -0.193 0.000 1.027 143 N CA -0.801 52.158 53.050 -0.153 0.000 0.864 143 N CB 1.766 40.212 38.487 -0.069 0.000 1.370 143 N HN 0.317 nan 8.380 nan 0.000 0.481 144 L N 2.991 124.010 121.223 -0.340 0.000 2.329 144 L HA 0.528 4.871 4.340 0.004 0.000 0.279 144 L C -1.015 175.608 176.870 -0.411 0.000 1.014 144 L CA -0.585 54.147 54.840 -0.181 0.000 0.814 144 L CB 0.565 42.631 42.059 0.013 0.000 1.257 144 L HN 0.588 nan 8.230 nan 0.000 0.424 145 Y N 3.543 123.889 120.300 0.077 0.000 2.406 145 Y HA 0.659 5.212 4.550 0.004 0.000 0.340 145 Y C -0.341 175.589 175.900 0.050 0.000 0.975 145 Y CA -0.687 57.452 58.100 0.066 0.000 1.056 145 Y CB 2.009 40.498 38.460 0.049 0.000 1.210 145 Y HN 0.304 nan 8.280 nan 0.000 0.448 146 L N 3.532 124.875 121.223 0.200 0.000 2.438 146 L HA 0.744 5.086 4.340 0.004 0.000 0.270 146 L C -0.900 176.061 176.870 0.151 0.000 0.972 146 L CA -0.609 54.302 54.840 0.118 0.000 0.831 146 L CB 2.317 44.477 42.059 0.167 0.000 1.273 146 L HN 0.745 nan 8.230 nan 0.000 0.405 147 S N 1.558 117.311 115.700 0.087 0.000 2.541 147 S HA 0.691 5.164 4.470 0.004 0.000 0.280 147 S C -1.471 173.302 174.600 0.290 0.000 1.112 147 S CA -0.778 57.536 58.200 0.190 0.000 0.925 147 S CB 2.199 65.499 63.200 0.168 0.000 1.067 147 S HN 0.487 nan 8.310 nan 0.000 0.479 148 Y N 1.761 122.195 120.300 0.223 0.000 2.373 148 Y HA 0.686 5.239 4.550 0.004 0.000 0.336 148 Y C -1.768 174.213 175.900 0.135 0.000 0.979 148 Y CA -0.863 57.398 58.100 0.268 0.000 1.080 148 Y CB 1.597 40.223 38.460 0.276 0.000 1.190 148 Y HN 0.730 nan 8.280 nan 0.000 0.446 149 V N 5.946 125.564 119.914 -0.493 0.000 2.577 149 V HA 0.309 4.432 4.120 0.004 0.000 0.303 149 V C -1.269 174.429 176.094 -0.660 0.000 1.042 149 V CA -0.836 61.144 62.300 -0.534 0.000 0.872 149 V CB 1.807 33.416 31.823 -0.356 0.000 0.998 149 V HN 0.750 nan 8.190 nan 0.000 0.423 150 D N 6.878 126.908 120.400 -0.616 0.000 2.414 150 D HA 0.379 5.021 4.640 0.004 0.000 0.232 150 D C -1.502 174.554 176.300 -0.406 0.000 1.070 150 D CA -2.098 51.665 54.000 -0.396 0.000 0.839 150 D CB 2.682 43.356 40.800 -0.211 0.000 1.079 150 D HN 0.246 nan 8.370 nan 0.000 0.521 151 P HA -0.034 nan 4.420 nan 0.000 0.225 151 P C -0.150 177.116 177.300 -0.057 0.000 1.148 151 P CA 0.763 63.737 63.100 -0.210 0.000 0.779 151 P CB 0.608 32.301 31.700 -0.011 0.000 0.780 152 D N -0.159 120.210 120.400 -0.051 0.000 2.351 152 D HA 0.027 4.670 4.640 0.004 0.000 0.235 152 D C 0.968 177.265 176.300 -0.005 0.000 1.331 152 D CA -0.114 53.883 54.000 -0.004 0.000 0.959 152 D CB 0.675 41.485 40.800 0.017 0.000 1.432 152 D HN 0.024 nan 8.370 nan 0.000 0.544 153 Q N 0.586 120.383 119.800 -0.004 0.000 2.436 153 Q HA -0.062 4.280 4.340 0.004 0.000 0.209 153 Q C 1.179 177.194 176.000 0.024 0.000 0.965 153 Q CA 1.343 57.154 55.803 0.013 0.000 0.910 153 Q CB -0.087 28.663 28.738 0.020 0.000 0.980 153 Q HN 0.313 nan 8.270 nan 0.000 0.491 154 T N -2.282 112.285 114.554 0.022 0.000 2.978 154 T HA 0.115 4.467 4.350 0.004 0.000 0.262 154 T C 0.875 175.588 174.700 0.021 0.000 1.063 154 T CA 0.134 62.247 62.100 0.022 0.000 1.140 154 T CB -0.225 68.656 68.868 0.022 0.000 0.886 154 T HN 0.076 nan 8.240 nan 0.000 0.470 155 V N 2.977 122.904 119.914 0.022 0.000 2.775 155 V HA 0.190 4.313 4.120 0.004 0.000 0.299 155 V C 0.618 176.727 176.094 0.025 0.000 1.062 155 V CA -1.014 61.299 62.300 0.022 0.000 1.063 155 V CB 1.132 32.968 31.823 0.022 0.000 0.994 155 V HN 0.492 nan 8.190 nan 0.000 0.483 156 D N 2.716 123.130 120.400 0.023 0.000 2.531 156 D HA -0.033 4.610 4.640 0.004 0.000 0.239 156 D C 1.280 177.599 176.300 0.031 0.000 1.144 156 D CA 0.518 54.533 54.000 0.025 0.000 0.869 156 D CB 1.163 41.976 40.800 0.020 0.000 1.160 156 D HN 0.610 nan 8.370 nan 0.000 0.484 157 S N 2.914 118.637 115.700 0.039 0.000 2.414 157 S HA -0.324 4.149 4.470 0.004 0.000 0.238 157 S C 2.065 176.692 174.600 0.045 0.000 1.055 157 S CA 2.269 60.500 58.200 0.051 0.000 1.174 157 S CB -0.706 62.530 63.200 0.060 0.000 1.087 157 S HN 0.793 nan 8.310 nan 0.000 0.428 158 S N 1.843 117.565 115.700 0.036 0.000 2.461 158 S HA -0.123 4.350 4.470 0.004 0.000 0.249 158 S C 1.560 176.178 174.600 0.029 0.000 1.012 158 S CA 1.286 59.505 58.200 0.031 0.000 0.982 158 S CB -0.793 62.421 63.200 0.024 0.000 0.764 158 S HN 0.476 nan 8.310 nan 0.000 0.506 159 L N 0.943 122.183 121.223 0.029 0.000 2.375 159 L HA 0.236 4.579 4.340 0.004 0.000 0.215 159 L C 0.877 177.764 176.870 0.029 0.000 1.108 159 L CA 0.088 54.944 54.840 0.026 0.000 0.830 159 L CB -0.118 41.955 42.059 0.023 0.000 0.959 159 L HN 0.394 nan 8.230 nan 0.000 0.457 160 V N -4.678 115.256 119.914 0.033 0.000 3.019 160 V HA 0.519 4.641 4.120 0.004 0.000 0.317 160 V C -0.118 176.000 176.094 0.041 0.000 1.094 160 V CA -0.585 61.736 62.300 0.035 0.000 1.000 160 V CB 1.598 33.438 31.823 0.029 0.000 1.060 160 V HN -0.112 nan 8.190 nan 0.000 0.443 161 T N 2.495 117.075 114.554 0.044 0.000 2.743 161 T HA 0.536 4.889 4.350 0.004 0.000 0.292 161 T C -0.429 174.303 174.700 0.052 0.000 0.972 161 T CA -0.078 62.051 62.100 0.049 0.000 0.967 161 T CB 0.793 69.686 68.868 0.041 0.000 0.926 161 T HN 0.883 nan 8.240 nan 0.000 0.459 162 E N 1.932 122.159 120.200 0.045 0.000 2.283 162 E HA 0.359 4.711 4.350 0.004 0.000 0.271 162 E C -0.026 176.603 176.600 0.048 0.000 1.031 162 E CA -0.636 55.753 56.400 -0.019 0.000 0.868 162 E CB 1.061 30.698 29.700 -0.105 0.000 1.094 162 E HN 0.547 nan 8.360 nan 0.000 0.401 163 E N 1.845 122.074 120.200 0.048 0.000 2.175 163 E HA 0.334 4.686 4.350 0.004 0.000 0.278 163 E C -1.432 175.290 176.600 0.203 0.000 0.969 163 E CA -0.589 55.879 56.400 0.113 0.000 0.796 163 E CB 0.696 30.500 29.700 0.174 0.000 1.104 163 E HN 0.323 nan 8.360 nan 0.000 0.395 164 F N 2.833 122.829 119.950 0.077 0.000 2.529 164 F HA 0.659 5.189 4.527 0.004 0.000 0.320 164 F C -0.623 175.243 175.800 0.110 0.000 1.118 164 F CA -0.470 57.627 58.000 0.161 0.000 0.915 164 F CB 1.992 41.121 39.000 0.215 0.000 1.161 164 F HN 0.431 nan 8.300 nan 0.000 0.445 165 G N 6.595 115.043 108.800 -0.587 0.000 2.662 165 G HA2 0.646 4.608 3.960 0.004 0.000 0.302 165 G HA3 0.646 4.608 3.960 0.004 0.000 0.302 165 G C -1.773 172.849 174.900 -0.463 0.000 1.389 165 G CA -0.756 44.093 45.100 -0.419 0.000 0.998 165 G HN 0.705 nan 8.290 nan 0.000 0.502 166 I N 0.626 121.061 120.570 -0.226 0.000 2.693 166 I HA 0.870 5.042 4.170 0.004 0.000 0.303 166 I C 0.217 176.397 176.117 0.105 0.000 1.025 166 I CA -1.039 60.231 61.300 -0.050 0.000 1.086 166 I CB 2.400 40.425 38.000 0.042 0.000 1.268 166 I HN 0.717 nan 8.210 nan 0.000 0.440 167 A N 3.345 126.270 122.820 0.175 0.000 2.594 167 A HA 0.925 5.248 4.320 0.004 0.000 0.296 167 A C -1.644 176.144 177.584 0.340 0.000 1.056 167 A CA -0.370 51.797 52.037 0.216 0.000 0.693 167 A CB 1.603 20.669 19.000 0.109 0.000 1.278 167 A HN 1.164 nan 8.150 nan 0.000 0.408 168 A N 1.308 124.296 122.820 0.281 0.000 2.574 168 A HA 0.857 5.180 4.320 0.004 0.000 0.297 168 A C -1.430 176.305 177.584 0.251 0.000 1.062 168 A CA 0.151 52.360 52.037 0.286 0.000 0.686 168 A CB 1.479 20.585 19.000 0.178 0.000 1.285 168 A HN 1.729 nan 8.150 nan 0.000 0.403 169 D N -0.622 119.942 120.400 0.275 0.000 2.596 169 D HA 0.677 5.320 4.640 0.004 0.000 0.234 169 D C -0.865 175.597 176.300 0.270 0.000 1.181 169 D CA -0.315 53.829 54.000 0.240 0.000 0.856 169 D CB 1.134 42.059 40.800 0.209 0.000 1.498 169 D HN 0.803 nan 8.370 nan 0.000 0.446 170 W N 1.058 122.386 121.300 0.047 0.000 3.062 170 W HA 0.704 5.366 4.660 0.003 0.000 0.336 170 W C -1.821 174.713 176.519 0.024 0.000 1.224 170 W CA -0.684 56.674 57.345 0.022 0.000 1.159 170 W CB 2.162 31.630 29.460 0.012 0.000 1.454 170 W HN 0.576 nan 8.180 nan 0.000 0.569 171 S N 3.323 118.232 115.700 -1.319 0.000 2.586 171 S HA 0.270 4.743 4.470 0.004 0.000 0.296 171 S C -0.933 173.016 174.600 -1.085 0.000 1.120 171 S CA -0.570 56.941 58.200 -1.148 0.000 0.927 171 S CB -0.261 62.663 63.200 -0.460 0.000 1.114 171 S HN 0.756 nan 8.310 nan 0.000 0.453 172 N N 3.061 121.163 118.700 -0.996 0.000 2.818 172 N HA 0.465 5.208 4.740 0.004 0.000 0.312 172 N C 0.240 175.576 175.510 -0.290 0.000 1.368 172 N CA -0.140 52.623 53.050 -0.479 0.000 0.817 172 N CB -0.318 38.020 38.487 -0.249 0.000 1.116 172 N HN 0.419 nan 8.380 nan 0.000 0.519 173 D N -1.579 118.719 120.400 -0.169 0.000 2.323 173 D HA 0.059 4.702 4.640 0.004 0.000 0.209 173 D C 1.030 177.240 176.300 -0.151 0.000 0.973 173 D CA 1.105 55.021 54.000 -0.140 0.000 0.874 173 D CB -0.010 40.733 40.800 -0.094 0.000 0.930 173 D HN 0.641 nan 8.370 nan 0.000 0.521 174 M N -2.096 117.424 119.600 -0.134 0.000 2.163 174 M HA 0.314 4.796 4.480 0.004 0.000 0.356 174 M C -0.197 176.049 176.300 -0.090 0.000 0.863 174 M CA 0.017 55.215 55.300 -0.169 0.000 1.113 174 M CB 1.371 33.887 32.600 -0.140 0.000 2.038 174 M HN -0.262 nan 8.290 nan 0.000 0.691 175 I N 1.153 121.710 120.570 -0.021 0.000 2.646 175 I HA 0.551 4.723 4.170 0.004 0.000 0.299 175 I C -0.765 175.312 176.117 -0.067 0.000 1.036 175 I CA -0.781 60.570 61.300 0.085 0.000 1.074 175 I CB 2.419 40.557 38.000 0.230 0.000 1.258 175 I HN 0.047 nan 8.210 nan 0.000 0.430 176 S N 5.604 121.325 115.700 0.035 0.000 2.547 176 S HA 0.725 5.197 4.470 0.004 0.000 0.281 176 S C -0.830 173.855 174.600 0.142 0.000 1.118 176 S CA -0.587 57.619 58.200 0.010 0.000 0.947 176 S CB 1.888 65.086 63.200 -0.003 0.000 1.053 176 S HN 0.328 nan 8.310 nan 0.000 0.482 177 L N 1.989 123.338 121.223 0.211 0.000 2.370 177 L HA 0.969 5.311 4.340 0.004 0.000 0.266 177 L C -0.511 176.453 176.870 0.157 0.000 1.002 177 L CA -0.798 54.159 54.840 0.195 0.000 0.818 177 L CB 2.013 44.230 42.059 0.264 0.000 1.325 177 L HN 0.770 nan 8.230 nan 0.000 0.418 178 A N 1.922 124.777 122.820 0.058 0.000 2.540 178 A HA 0.923 5.245 4.320 0.004 0.000 0.297 178 A C -1.460 176.031 177.584 -0.156 0.000 1.056 178 A CA -0.213 51.864 52.037 0.067 0.000 0.700 178 A CB 1.892 21.032 19.000 0.233 0.000 1.280 178 A HN 0.826 nan 8.150 nan 0.000 0.398 179 A N 0.513 123.315 122.820 -0.030 0.000 2.539 179 A HA 1.072 5.394 4.320 0.004 0.000 0.296 179 A C -0.432 177.231 177.584 0.130 0.000 1.073 179 A CA -0.062 51.927 52.037 -0.080 0.000 0.700 179 A CB 1.550 20.533 19.000 -0.029 0.000 1.296 179 A HN 2.697 nan 8.150 nan 0.000 0.405 180 A N 0.122 123.071 122.820 0.215 0.000 2.589 180 A HA 0.719 5.041 4.320 0.004 0.000 0.296 180 A C -1.959 175.874 177.584 0.415 0.000 1.062 180 A CA -0.338 51.875 52.037 0.294 0.000 0.686 180 A CB 1.112 20.258 19.000 0.243 0.000 1.282 180 A HN 1.878 nan 8.150 nan 0.000 0.404 181 Y N 0.556 120.974 120.300 0.196 0.000 2.433 181 Y HA 0.677 5.230 4.550 0.004 0.000 0.337 181 Y C -0.679 175.250 175.900 0.049 0.000 1.026 181 Y CA -0.186 57.998 58.100 0.140 0.000 1.037 181 Y CB 2.420 40.945 38.460 0.109 0.000 1.245 181 Y HN 0.693 nan 8.280 nan 0.000 0.443 182 T N 3.996 118.154 114.554 -0.659 0.000 2.928 182 T HA 0.406 4.759 4.350 0.004 0.000 0.296 182 T C -0.791 173.546 174.700 -0.605 0.000 1.000 182 T CA -0.852 60.941 62.100 -0.512 0.000 0.989 182 T CB 1.106 69.698 68.868 -0.461 0.000 1.005 182 T HN 0.641 nan 8.240 nan 0.000 0.442 183 T N 0.098 114.470 114.554 -0.303 0.000 2.867 183 T HA 0.492 4.845 4.350 0.004 0.000 0.282 183 T C -0.193 174.461 174.700 -0.077 0.000 1.000 183 T CA -0.749 61.257 62.100 -0.158 0.000 1.042 183 T CB 0.655 69.569 68.868 0.077 0.000 0.973 183 T HN 0.631 nan 8.240 nan 0.000 0.465 184 D N 0.089 120.437 120.400 -0.087 0.000 2.723 184 D HA -0.151 4.492 4.640 0.004 0.000 0.236 184 D C 0.541 176.750 176.300 -0.152 0.000 1.138 184 D CA 0.907 54.861 54.000 -0.077 0.000 0.676 184 D CB -1.466 39.331 40.800 -0.005 0.000 1.069 184 D HN 1.120 nan 8.370 nan 0.000 0.430 185 A N -0.332 122.353 122.820 -0.225 0.000 2.561 185 A HA 0.420 4.743 4.320 0.004 0.000 0.234 185 A C 1.825 179.149 177.584 -0.434 0.000 1.055 185 A CA 1.229 53.082 52.037 -0.306 0.000 0.756 185 A CB 0.235 19.044 19.000 -0.318 0.000 0.986 185 A HN 1.191 nan 8.150 nan 0.000 0.505 186 G N 0.750 109.053 108.800 -0.828 0.000 2.187 186 G HA2 0.105 4.068 3.960 0.004 0.000 0.261 186 G HA3 0.105 4.068 3.960 0.004 0.000 0.261 186 G C 1.699 176.023 174.900 -0.960 0.000 1.000 186 G CA 1.224 45.523 45.100 -1.336 0.000 0.718 186 G HN 2.866 nan 8.290 nan 0.000 0.519 187 G N -1.388 107.088 108.800 -0.540 0.000 2.148 187 G HA2 -0.269 3.693 3.960 0.004 0.000 0.254 187 G HA3 -0.269 3.693 3.960 0.004 0.000 0.254 187 G C 0.331 175.196 174.900 -0.057 0.000 0.981 187 G CA 0.474 45.545 45.100 -0.049 0.000 0.670 187 G HN 1.361 nan 8.290 nan 0.000 0.528 188 I N 1.477 121.969 120.570 -0.130 0.000 2.312 188 I HA 0.303 4.475 4.170 0.004 0.000 0.291 188 I C 1.079 177.160 176.117 -0.061 0.000 1.031 188 I CA -1.059 60.191 61.300 -0.083 0.000 1.293 188 I CB 1.492 39.428 38.000 -0.106 0.000 1.403 188 I HN -0.113 nan 8.210 nan 0.000 0.484 189 V N 6.836 126.733 119.914 -0.029 0.000 2.617 189 V HA -0.092 4.030 4.120 0.004 0.000 0.304 189 V C 0.763 176.846 176.094 -0.018 0.000 1.040 189 V CA 0.693 62.984 62.300 -0.014 0.000 1.149 189 V CB 0.085 31.909 31.823 0.001 0.000 0.914 189 V HN 0.934 nan 8.190 nan 0.000 0.487 190 D N 2.096 122.490 120.400 -0.010 0.000 3.046 190 D HA -0.186 4.456 4.640 0.004 0.000 0.210 190 D C 0.584 176.867 176.300 -0.028 0.000 1.124 190 D CA 1.338 55.335 54.000 -0.005 0.000 0.986 190 D CB -1.037 39.765 40.800 0.003 0.000 1.118 190 D HN 0.789 nan 8.370 nan 0.000 0.416 191 N N 1.800 120.464 118.700 -0.061 0.000 3.124 191 N HA 0.056 4.798 4.740 0.004 0.000 0.284 191 N C -1.318 174.106 175.510 -0.144 0.000 1.209 191 N CA 0.073 53.064 53.050 -0.098 0.000 1.149 191 N CB 0.154 38.568 38.487 -0.122 0.000 1.434 191 N HN -0.038 nan 8.380 nan 0.000 0.529 192 D N 2.568 122.900 120.400 -0.115 0.000 2.359 192 D HA 0.198 4.841 4.640 0.004 0.000 0.230 192 D C 0.615 176.797 176.300 -0.196 0.000 1.118 192 D CA -0.202 53.685 54.000 -0.188 0.000 0.844 192 D CB 1.015 41.787 40.800 -0.046 0.000 1.059 192 D HN 0.503 nan 8.370 nan 0.000 0.493 193 I N -1.493 118.864 120.570 -0.356 0.000 2.863 193 I HA 0.886 5.058 4.170 0.004 0.000 0.311 193 I C -0.597 175.419 176.117 -0.169 0.000 1.026 193 I CA -1.080 60.053 61.300 -0.279 0.000 1.077 193 I CB 2.153 39.871 38.000 -0.469 0.000 1.262 193 I HN 0.255 nan 8.210 nan 0.000 0.461 194 A N 3.193 126.079 122.820 0.110 0.000 2.594 194 A HA 0.815 5.137 4.320 0.004 0.000 0.295 194 A C -1.684 176.122 177.584 0.371 0.000 1.071 194 A CA -0.423 51.827 52.037 0.354 0.000 0.685 194 A CB 1.704 20.979 19.000 0.459 0.000 1.285 194 A HN 0.813 nan 8.150 nan 0.000 0.405 195 F N 1.164 121.243 119.950 0.215 0.000 2.588 195 F HA 0.790 5.319 4.527 0.004 0.000 0.310 195 F C -1.597 174.223 175.800 0.033 0.000 1.082 195 F CA -0.912 57.049 58.000 -0.066 0.000 0.929 195 F CB 2.110 40.980 39.000 -0.216 0.000 1.254 195 F HN 0.498 nan 8.300 nan 0.000 0.455 196 V N 3.760 123.070 119.914 -1.006 0.000 2.752 196 V HA 0.810 4.932 4.120 0.004 0.000 0.302 196 V C -0.424 175.072 176.094 -0.996 0.000 1.133 196 V CA -0.293 61.513 62.300 -0.823 0.000 0.919 196 V CB 1.508 33.266 31.823 -0.109 0.000 1.026 196 V HN 1.196 nan 8.190 nan 0.000 0.429 197 G N 2.597 110.850 108.800 -0.912 0.000 2.659 197 G HA2 0.918 4.881 3.960 0.004 0.000 0.296 197 G HA3 0.918 4.881 3.960 0.004 0.000 0.296 197 G C -1.278 173.587 174.900 -0.059 0.000 1.369 197 G CA -0.145 44.779 45.100 -0.293 0.000 0.937 197 G HN 1.222 nan 8.290 nan 0.000 0.485 198 A N -0.432 122.423 122.820 0.058 0.000 2.486 198 A HA 1.018 5.340 4.320 0.004 0.000 0.300 198 A C -0.404 177.255 177.584 0.125 0.000 1.048 198 A CA -0.060 52.029 52.037 0.087 0.000 0.696 198 A CB 1.791 20.825 19.000 0.056 0.000 1.278 198 A HN 2.305 nan 8.150 nan 0.000 0.405 199 A N 0.562 123.465 122.820 0.138 0.000 2.515 199 A HA 0.742 5.064 4.320 0.004 0.000 0.298 199 A C -1.840 175.855 177.584 0.185 0.000 1.059 199 A CA -0.412 51.706 52.037 0.136 0.000 0.698 199 A CB 1.253 20.341 19.000 0.147 0.000 1.289 199 A HN 1.684 nan 8.150 nan 0.000 0.404 200 Y N 1.103 121.431 120.300 0.046 0.000 2.361 200 Y HA 0.612 5.163 4.550 0.003 0.000 0.337 200 Y C -0.051 175.918 175.900 0.114 0.000 0.965 200 Y CA -1.064 57.079 58.100 0.072 0.000 1.091 200 Y CB 1.919 40.426 38.460 0.078 0.000 1.182 200 Y HN 0.549 nan 8.280 nan 0.000 0.450 201 K N 7.188 127.283 120.400 -0.507 0.000 2.333 201 K HA 0.157 4.479 4.320 0.004 0.000 0.241 201 K C -0.178 176.002 176.600 -0.700 0.000 1.193 201 K CA -0.453 55.567 56.287 -0.445 0.000 1.142 201 K CB -1.348 30.953 32.500 -0.331 0.000 1.731 201 K HN 0.579 nan 8.250 nan 0.000 0.344 202 F N 0.667 120.257 119.950 -0.600 0.000 2.678 202 F HA 0.189 4.718 4.527 0.003 0.000 0.298 202 F C -0.034 175.703 175.800 -0.105 0.000 1.337 202 F CA -0.314 57.515 58.000 -0.285 0.000 1.460 202 F CB -0.516 38.575 39.000 0.150 0.000 1.106 202 F HN 0.295 nan 8.300 nan 0.000 0.562 203 N N -0.103 118.297 118.700 -0.501 0.000 4.575 203 N HA -0.095 4.648 4.740 0.004 0.000 0.218 203 N C -0.408 174.880 175.510 -0.370 0.000 1.225 203 N CA 0.204 53.030 53.050 -0.373 0.000 0.749 203 N CB -0.040 38.216 38.487 -0.385 0.000 1.556 203 N HN 0.031 nan 8.380 nan 0.000 0.441 204 D N 0.333 120.571 120.400 -0.269 0.000 2.162 204 D HA 0.156 4.798 4.640 0.004 0.000 0.203 204 D C 1.222 177.346 176.300 -0.294 0.000 0.967 204 D CA 1.470 55.326 54.000 -0.241 0.000 0.840 204 D CB 0.055 40.749 40.800 -0.178 0.000 0.972 204 D HN 0.505 nan 8.370 nan 0.000 0.482 205 A N 0.034 122.628 122.820 -0.377 0.000 2.379 205 A HA 0.589 4.912 4.320 0.004 0.000 0.236 205 A C 0.836 178.094 177.584 -0.545 0.000 1.272 205 A CA 0.271 51.995 52.037 -0.522 0.000 0.886 205 A CB -0.036 18.507 19.000 -0.762 0.000 0.962 205 A HN 0.223 nan 8.150 nan 0.000 0.504 206 G N -1.761 106.752 108.800 -0.479 0.000 2.718 206 G HA2 0.524 4.487 3.960 0.004 0.000 0.295 206 G HA3 0.524 4.487 3.960 0.004 0.000 0.295 206 G C -1.048 173.552 174.900 -0.499 0.000 1.421 206 G CA 0.184 45.024 45.100 -0.433 0.000 0.902 206 G HN 0.541 nan 8.290 nan 0.000 0.501 207 T N -1.233 113.348 114.554 0.045 0.000 3.041 207 T HA 0.596 4.949 4.350 0.004 0.000 0.321 207 T C -0.998 173.864 174.700 0.271 0.000 1.184 207 T CA -0.091 62.113 62.100 0.172 0.000 1.050 207 T CB 1.287 70.181 68.868 0.043 0.000 1.159 207 T HN 1.756 nan 8.240 nan 0.000 0.469 208 V N 1.948 121.996 119.914 0.223 0.000 2.540 208 V HA 1.063 5.186 4.120 0.004 0.000 0.302 208 V C 0.229 176.212 176.094 -0.184 0.000 1.035 208 V CA -0.136 62.139 62.300 -0.041 0.000 0.873 208 V CB 1.159 32.963 31.823 -0.031 0.000 0.992 208 V HN 1.259 nan 8.190 nan 0.000 0.428 209 G N 2.973 111.413 108.800 -0.599 0.000 2.680 209 G HA2 0.754 4.717 3.960 0.004 0.000 0.290 209 G HA3 0.754 4.717 3.960 0.004 0.000 0.290 209 G C -1.924 172.857 174.900 -0.198 0.000 1.355 209 G CA -0.940 43.910 45.100 -0.418 0.000 0.903 209 G HN 1.235 nan 8.290 nan 0.000 0.474 210 L N 0.581 121.863 121.223 0.099 0.000 2.476 210 L HA 0.602 4.944 4.340 0.004 0.000 0.269 210 L C -1.535 175.475 176.870 0.233 0.000 0.965 210 L CA -0.853 54.092 54.840 0.175 0.000 0.845 210 L CB 1.983 44.100 42.059 0.097 0.000 1.259 210 L HN 0.410 nan 8.230 nan 0.000 0.403 211 N N 3.948 122.821 118.700 0.289 0.000 2.342 211 N HA 0.431 5.174 4.740 0.004 0.000 0.293 211 N C -1.888 173.682 175.510 0.100 0.000 1.026 211 N CA -0.208 52.961 53.050 0.199 0.000 0.857 211 N CB 2.058 40.703 38.487 0.264 0.000 1.256 211 N HN 0.703 nan 8.380 nan 0.000 0.484 212 W N 3.725 124.885 121.300 -0.235 0.000 2.587 212 W HA 0.527 5.189 4.660 0.004 0.000 0.324 212 W C -1.652 174.699 176.519 -0.280 0.000 1.040 212 W CA -0.548 56.706 57.345 -0.151 0.000 1.222 212 W CB 0.637 30.041 29.460 -0.093 0.000 1.381 212 W HN 0.380 nan 8.180 nan 0.000 0.483 213 Y N 4.223 123.944 120.300 -0.965 0.000 2.499 213 Y HA 0.285 4.837 4.550 0.004 0.000 0.347 213 Y C -0.294 174.894 175.900 -1.188 0.000 0.987 213 Y CA -1.013 56.559 58.100 -0.880 0.000 1.044 213 Y CB 1.944 40.234 38.460 -0.284 0.000 1.245 213 Y HN 0.323 nan 8.280 nan 0.000 0.461 214 D N 1.823 121.857 120.400 -0.609 0.000 2.464 214 D HA 0.134 4.777 4.640 0.004 0.000 0.243 214 D C -0.568 175.672 176.300 -0.099 0.000 1.104 214 D CA -0.245 53.575 54.000 -0.300 0.000 0.883 214 D CB 0.453 41.195 40.800 -0.097 0.000 1.050 214 D HN 0.571 nan 8.370 nan 0.000 0.524 215 N N 2.783 121.435 118.700 -0.080 0.000 2.466 215 N HA 0.097 4.840 4.740 0.004 0.000 0.211 215 N C 1.363 176.828 175.510 -0.074 0.000 1.256 215 N CA 0.478 53.487 53.050 -0.069 0.000 0.840 215 N CB 0.182 38.623 38.487 -0.077 0.000 1.079 215 N HN 0.748 nan 8.380 nan 0.000 0.466 216 G N 1.351 110.112 108.800 -0.066 0.000 2.652 216 G HA2 -0.335 3.627 3.960 0.004 0.000 0.318 216 G HA3 -0.335 3.627 3.960 0.004 0.000 0.318 216 G C 0.708 175.580 174.900 -0.046 0.000 1.295 216 G CA 0.216 45.279 45.100 -0.062 0.000 0.999 216 G HN 0.393 nan 8.290 nan 0.000 0.548 217 L N 1.470 122.660 121.223 -0.056 0.000 2.675 217 L HA 0.244 4.586 4.340 0.004 0.000 0.239 217 L C 1.795 178.636 176.870 -0.048 0.000 1.151 217 L CA 0.555 55.368 54.840 -0.044 0.000 0.905 217 L CB -0.477 41.555 42.059 -0.045 0.000 1.057 217 L HN 0.458 nan 8.230 nan 0.000 0.435 218 S N -0.063 115.603 115.700 -0.057 0.000 2.564 218 S HA 0.016 4.488 4.470 0.004 0.000 0.278 218 S C 1.581 176.148 174.600 -0.056 0.000 1.333 218 S CA -0.106 58.058 58.200 -0.060 0.000 1.048 218 S CB 1.002 64.160 63.200 -0.070 0.000 0.900 218 S HN 0.450 nan 8.310 nan 0.000 0.505 219 T N 2.395 116.916 114.554 -0.056 0.000 3.113 219 T HA 0.086 4.439 4.350 0.004 0.000 0.263 219 T C 1.671 176.326 174.700 -0.075 0.000 1.143 219 T CA 0.662 62.730 62.100 -0.053 0.000 1.090 219 T CB -0.359 68.482 68.868 -0.045 0.000 0.922 219 T HN 0.656 nan 8.240 nan 0.000 0.521 220 A N 1.474 124.233 122.820 -0.102 0.000 1.929 220 A HA 0.512 4.834 4.320 0.004 0.000 0.216 220 A C 1.796 179.304 177.584 -0.126 0.000 1.176 220 A CA 0.953 52.892 52.037 -0.163 0.000 0.628 220 A CB -1.256 17.618 19.000 -0.211 0.000 0.816 220 A HN 1.376 nan 8.150 nan 0.000 0.444 221 G N -0.720 108.032 108.800 -0.080 0.000 2.642 221 G HA2 -0.150 3.813 3.960 0.004 0.000 0.231 221 G HA3 -0.150 3.813 3.960 0.004 0.000 0.231 221 G C -0.813 174.063 174.900 -0.039 0.000 1.338 221 G CA -0.060 45.016 45.100 -0.040 0.000 0.883 221 G HN 0.459 nan 8.290 nan 0.000 0.570 222 D N 0.946 121.354 120.400 0.013 0.000 2.382 222 D HA 0.507 5.150 4.640 0.004 0.000 0.240 222 D C 0.770 177.077 176.300 0.011 0.000 1.146 222 D CA 1.081 55.094 54.000 0.022 0.000 0.897 222 D CB 0.876 41.803 40.800 0.211 0.000 1.197 222 D HN 0.734 nan 8.370 nan 0.000 0.432 223 Q N 0.534 120.319 119.800 -0.024 0.000 2.391 223 Q HA 0.586 4.929 4.340 0.004 0.000 0.279 223 Q C -2.206 173.890 176.000 0.160 0.000 1.028 223 Q CA -0.879 54.969 55.803 0.075 0.000 0.836 223 Q CB 2.182 30.951 28.738 0.052 0.000 1.414 223 Q HN 0.334 nan 8.270 nan 0.000 0.397 224 V N 2.230 122.294 119.914 0.251 0.000 2.656 224 V HA 0.741 4.864 4.120 0.004 0.000 0.307 224 V C -1.423 174.862 176.094 0.318 0.000 1.051 224 V CA -0.021 62.458 62.300 0.299 0.000 0.893 224 V CB 2.352 34.355 31.823 0.300 0.000 0.999 224 V HN 0.934 nan 8.190 nan 0.000 0.426 225 T N 7.466 122.221 114.554 0.336 0.000 2.848 225 T HA 0.601 4.954 4.350 0.004 0.000 0.285 225 T C -1.187 173.739 174.700 0.377 0.000 0.995 225 T CA -0.248 62.074 62.100 0.369 0.000 0.970 225 T CB 1.303 70.386 68.868 0.358 0.000 0.976 225 T HN 0.694 nan 8.240 nan 0.000 0.441 226 L N 5.470 126.919 121.223 0.376 0.000 2.349 226 L HA 0.753 5.096 4.340 0.004 0.000 0.278 226 L C -1.367 175.735 176.870 0.386 0.000 0.996 226 L CA -0.657 54.363 54.840 0.300 0.000 0.825 226 L CB 0.479 42.652 42.059 0.191 0.000 1.243 226 L HN 0.709 nan 8.230 nan 0.000 0.412 227 Y N 2.670 123.093 120.300 0.205 0.000 2.669 227 Y HA 1.028 5.581 4.550 0.005 0.000 0.335 227 Y C -0.273 175.736 175.900 0.182 0.000 1.116 227 Y CA -1.126 57.110 58.100 0.227 0.000 1.081 227 Y CB 1.465 40.056 38.460 0.217 0.000 1.297 227 Y HN 0.796 nan 8.280 nan 0.000 0.484 228 G N 1.058 109.975 108.800 0.195 0.000 2.579 228 G HA2 0.482 4.445 3.960 0.004 0.000 0.292 228 G HA3 0.482 4.445 3.960 0.004 0.000 0.292 228 G C -2.420 172.630 174.900 0.250 0.000 1.484 228 G CA -1.229 43.948 45.100 0.128 0.000 0.813 228 G HN 1.188 nan 8.290 nan 0.000 0.515 229 N N -1.046 117.805 118.700 0.252 0.000 2.610 229 N HA 0.616 5.359 4.740 0.004 0.000 0.264 229 N C -2.202 173.460 175.510 0.252 0.000 1.348 229 N CA -0.737 52.451 53.050 0.230 0.000 0.819 229 N CB 2.967 41.566 38.487 0.186 0.000 1.521 229 N HN 0.511 nan 8.380 nan 0.000 0.497 230 Y N -0.024 120.266 120.300 -0.016 0.000 2.470 230 Y HA 0.615 5.167 4.550 0.003 0.000 0.341 230 Y C -1.580 174.154 175.900 -0.276 0.000 1.021 230 Y CA -0.715 57.272 58.100 -0.187 0.000 1.025 230 Y CB 2.080 40.398 38.460 -0.236 0.000 1.266 230 Y HN 0.879 nan 8.280 nan 0.000 0.448 231 A N 5.273 127.631 122.820 -0.770 0.000 2.273 231 A HA 0.614 4.936 4.320 0.004 0.000 0.315 231 A C -1.724 175.438 177.584 -0.704 0.000 1.256 231 A CA -0.398 51.312 52.037 -0.543 0.000 0.851 231 A CB -0.327 18.466 19.000 -0.344 0.000 1.172 231 A HN 0.576 nan 8.150 nan 0.000 0.508 232 F N 3.175 123.010 119.950 -0.192 0.000 2.508 232 F HA 0.459 4.988 4.527 0.003 0.000 0.329 232 F C 1.488 177.252 175.800 -0.061 0.000 1.198 232 F CA 0.667 58.602 58.000 -0.109 0.000 1.268 232 F CB 0.248 39.259 39.000 0.018 0.000 1.584 232 F HN 1.029 nan 8.300 nan 0.000 0.570 233 G N 1.603 110.413 108.800 0.017 0.000 3.487 233 G HA2 -0.356 3.606 3.960 0.004 0.000 0.295 233 G HA3 -0.356 3.606 3.960 0.004 0.000 0.295 233 G C 1.222 176.117 174.900 -0.008 0.000 1.454 233 G CA 0.347 45.454 45.100 0.011 0.000 1.039 233 G HN 0.695 nan 8.290 nan 0.000 0.624 234 A N -0.297 122.545 122.820 0.036 0.000 2.140 234 A HA 0.610 4.933 4.320 0.004 0.000 0.209 234 A C 1.414 179.001 177.584 0.005 0.000 1.181 234 A CA 2.240 54.248 52.037 -0.048 0.000 0.824 234 A CB -0.045 18.882 19.000 -0.122 0.000 0.879 234 A HN 2.017 nan 8.150 nan 0.000 0.480 235 T N -0.362 114.306 114.554 0.189 0.000 2.824 235 T HA 0.543 4.895 4.350 0.004 0.000 0.280 235 T C -0.580 174.240 174.700 0.200 0.000 0.995 235 T CA -0.227 62.035 62.100 0.271 0.000 1.009 235 T CB 1.140 70.236 68.868 0.381 0.000 0.955 235 T HN -0.004 nan 8.240 nan 0.000 0.452 236 T N 4.050 118.696 114.554 0.154 0.000 2.797 236 T HA 0.566 4.918 4.350 0.004 0.000 0.279 236 T C -0.442 174.359 174.700 0.168 0.000 0.991 236 T CA -0.526 61.638 62.100 0.108 0.000 0.979 236 T CB 1.315 70.212 68.868 0.048 0.000 0.943 236 T HN 0.622 nan 8.240 nan 0.000 0.444 237 V N 4.724 124.756 119.914 0.196 0.000 2.472 237 V HA 0.579 4.701 4.120 0.004 0.000 0.290 237 V C 0.132 176.345 176.094 0.198 0.000 1.037 237 V CA -0.789 61.646 62.300 0.226 0.000 0.908 237 V CB 1.457 33.468 31.823 0.313 0.000 0.985 237 V HN 0.735 nan 8.190 nan 0.000 0.454 238 R N 2.550 123.164 120.500 0.189 0.000 2.750 238 R HA 0.916 5.259 4.340 0.004 0.000 0.281 238 R C -0.892 175.536 176.300 0.213 0.000 0.972 238 R CA -0.613 55.612 56.100 0.208 0.000 0.912 238 R CB 2.435 32.856 30.300 0.201 0.000 1.187 238 R HN 0.836 nan 8.270 nan 0.000 0.464 239 A N 1.519 124.490 122.820 0.251 0.000 2.606 239 A HA 0.747 5.070 4.320 0.004 0.000 0.293 239 A C -1.946 175.841 177.584 0.339 0.000 1.082 239 A CA -0.741 51.423 52.037 0.213 0.000 0.685 239 A CB 1.568 20.647 19.000 0.133 0.000 1.284 239 A HN 0.785 nan 8.150 nan 0.000 0.408 240 Y N -1.701 118.721 120.300 0.204 0.000 2.662 240 Y HA 0.685 5.237 4.550 0.004 0.000 0.334 240 Y C -1.308 174.728 175.900 0.227 0.000 1.185 240 Y CA -1.066 57.175 58.100 0.235 0.000 1.074 240 Y CB 0.775 39.390 38.460 0.258 0.000 1.330 240 Y HN 1.527 nan 8.280 nan 0.000 0.458 241 V N -0.496 119.675 119.914 0.428 0.000 2.925 241 V HA 0.923 5.045 4.120 0.004 0.000 0.311 241 V C -0.847 175.525 176.094 0.463 0.000 1.104 241 V CA -0.412 62.087 62.300 0.331 0.000 0.954 241 V CB 1.296 33.242 31.823 0.205 0.000 1.022 241 V HN 1.140 nan 8.190 nan 0.000 0.427 242 S N 1.286 117.249 115.700 0.437 0.000 2.540 242 S HA 0.697 5.169 4.470 0.004 0.000 0.275 242 S C -1.783 173.112 174.600 0.492 0.000 1.123 242 S CA -0.515 57.970 58.200 0.474 0.000 0.907 242 S CB 1.908 65.442 63.200 0.557 0.000 1.081 242 S HN 0.984 nan 8.310 nan 0.000 0.476 243 D N 2.468 123.113 120.400 0.409 0.000 2.738 243 D HA 0.561 5.204 4.640 0.004 0.000 0.237 243 D C -0.650 175.741 176.300 0.151 0.000 1.123 243 D CA -0.276 53.906 54.000 0.302 0.000 0.856 243 D CB 1.950 42.879 40.800 0.213 0.000 1.552 243 D HN 0.692 nan 8.370 nan 0.000 0.480 244 I N -2.083 118.482 120.570 -0.009 0.000 2.828 244 I HA 0.434 4.606 4.170 0.004 0.000 0.302 244 I C 0.190 176.270 176.117 -0.061 0.000 1.101 244 I CA -0.785 60.432 61.300 -0.137 0.000 1.031 244 I CB 2.364 40.087 38.000 -0.462 0.000 1.231 244 I HN -0.015 nan 8.210 nan 0.000 0.427 245 D N 1.661 122.039 120.400 -0.036 0.000 2.312 245 D HA -0.054 4.588 4.640 0.004 0.000 0.211 245 D C 0.854 177.140 176.300 -0.024 0.000 0.964 245 D CA 0.713 54.711 54.000 -0.004 0.000 0.877 245 D CB 0.082 40.895 40.800 0.021 0.000 0.924 245 D HN 0.472 nan 8.370 nan 0.000 0.515 246 R N 1.119 121.579 120.500 -0.065 0.000 2.504 246 R HA 0.116 4.459 4.340 0.004 0.000 0.291 246 R C -0.106 176.177 176.300 -0.028 0.000 0.974 246 R CA -0.199 55.867 56.100 -0.056 0.000 1.077 246 R CB 0.381 30.625 30.300 -0.093 0.000 0.926 246 R HN -0.095 nan 8.270 nan 0.000 0.407 247 A N 3.274 126.086 122.820 -0.012 0.000 2.531 247 A HA 0.286 4.609 4.320 0.004 0.000 0.236 247 A C 1.385 178.971 177.584 0.004 0.000 1.062 247 A CA 0.607 52.644 52.037 0.000 0.000 0.760 247 A CB -0.130 18.871 19.000 0.002 0.000 0.995 247 A HN 1.121 nan 8.150 nan 0.000 0.501 248 G N 0.500 109.308 108.800 0.014 0.000 2.175 248 G HA2 0.083 4.046 3.960 0.004 0.000 0.265 248 G HA3 0.083 4.046 3.960 0.004 0.000 0.265 248 G C 0.663 175.580 174.900 0.027 0.000 0.979 248 G CA 0.837 45.948 45.100 0.019 0.000 0.663 248 G HN 2.222 nan 8.290 nan 0.000 0.533 249 A N -0.227 122.611 122.820 0.030 0.000 2.386 249 A HA 0.539 4.861 4.320 0.004 0.000 0.248 249 A C 0.393 178.035 177.584 0.096 0.000 1.082 249 A CA 0.196 52.268 52.037 0.058 0.000 0.789 249 A CB 0.416 19.434 19.000 0.030 0.000 1.025 249 A HN 0.308 nan 8.150 nan 0.000 0.490 250 D N 0.477 120.951 120.400 0.124 0.000 2.294 250 D HA 0.333 4.976 4.640 0.004 0.000 0.250 250 D C -0.198 176.213 176.300 0.185 0.000 1.058 250 D CA 0.235 54.301 54.000 0.109 0.000 0.950 250 D CB 1.017 41.838 40.800 0.036 0.000 1.158 250 D HN 0.438 nan 8.370 nan 0.000 0.453 251 T N 0.895 115.549 114.554 0.167 0.000 2.814 251 T HA 0.406 4.758 4.350 0.004 0.000 0.297 251 T C 0.205 174.981 174.700 0.127 0.000 0.956 251 T CA -0.449 61.780 62.100 0.215 0.000 1.123 251 T CB 0.719 69.711 68.868 0.207 0.000 0.902 251 T HN 0.368 nan 8.240 nan 0.000 0.528 252 A N 3.905 126.741 122.820 0.027 0.000 2.340 252 A HA 0.717 5.040 4.320 0.004 0.000 0.268 252 A C -0.649 176.929 177.584 -0.010 0.000 1.100 252 A CA -0.550 51.311 52.037 -0.292 0.000 0.803 252 A CB 0.071 18.596 19.000 -0.791 0.000 1.043 252 A HN 0.910 nan 8.150 nan 0.000 0.488 253 Y N -1.488 118.703 120.300 -0.183 0.000 2.624 253 Y HA 0.742 5.294 4.550 0.004 0.000 0.334 253 Y C -0.263 175.294 175.900 -0.572 0.000 1.155 253 Y CA -0.844 56.990 58.100 -0.443 0.000 1.046 253 Y CB 0.719 39.042 38.460 -0.229 0.000 1.316 253 Y HN 1.198 nan 8.280 nan 0.000 0.457 254 G N 1.001 109.396 108.800 -0.674 0.000 2.703 254 G HA2 0.574 4.537 3.960 0.004 0.000 0.294 254 G HA3 0.574 4.537 3.960 0.004 0.000 0.294 254 G C -2.689 172.147 174.900 -0.108 0.000 1.451 254 G CA -0.807 44.110 45.100 -0.305 0.000 0.869 254 G HN 0.874 nan 8.290 nan 0.000 0.516 255 I N 0.758 121.359 120.570 0.051 0.000 2.533 255 I HA 0.886 5.058 4.170 0.004 0.000 0.290 255 I C 0.124 176.308 176.117 0.113 0.000 1.056 255 I CA -0.290 61.064 61.300 0.090 0.000 1.057 255 I CB 1.952 40.001 38.000 0.082 0.000 1.240 255 I HN 1.005 nan 8.210 nan 0.000 0.423 256 G N 4.797 113.677 108.800 0.133 0.000 2.682 256 G HA2 0.892 4.854 3.960 0.004 0.000 0.290 256 G HA3 0.892 4.854 3.960 0.004 0.000 0.290 256 G C -2.146 172.834 174.900 0.133 0.000 1.425 256 G CA -0.325 44.851 45.100 0.127 0.000 0.807 256 G HN 0.914 nan 8.290 nan 0.000 0.482 257 A N -0.038 122.856 122.820 0.123 0.000 2.498 257 A HA 0.814 5.136 4.320 0.004 0.000 0.298 257 A C -1.687 175.975 177.584 0.130 0.000 1.075 257 A CA -0.628 51.491 52.037 0.136 0.000 0.714 257 A CB 2.087 21.167 19.000 0.133 0.000 1.299 257 A HN 0.454 nan 8.150 nan 0.000 0.407 258 D N 0.006 120.491 120.400 0.142 0.000 2.481 258 D HA 0.498 5.140 4.640 0.004 0.000 0.244 258 D C -1.906 174.510 176.300 0.193 0.000 1.057 258 D CA 0.319 54.395 54.000 0.127 0.000 0.848 258 D CB 1.941 42.785 40.800 0.074 0.000 1.388 258 D HN 0.417 nan 8.370 nan 0.000 0.475 259 Y N 1.687 122.017 120.300 0.051 0.000 2.349 259 Y HA 0.208 4.760 4.550 0.004 0.000 0.324 259 Y C -0.564 175.385 175.900 0.081 0.000 1.005 259 Y CA -0.819 57.321 58.100 0.067 0.000 1.240 259 Y CB 1.346 39.849 38.460 0.071 0.000 1.117 259 Y HN 0.107 nan 8.280 nan 0.000 0.463 260 Q N 5.707 125.211 119.800 -0.492 0.000 2.513 260 Q HA 0.130 4.473 4.340 0.004 0.000 0.227 260 Q C 0.404 176.098 176.000 -0.509 0.000 1.257 260 Q CA 0.249 55.838 55.803 -0.357 0.000 0.915 260 Q CB -0.353 28.236 28.738 -0.248 0.000 1.507 260 Q HN 0.802 nan 8.270 nan 0.000 0.543 261 F N 2.333 122.032 119.950 -0.417 0.000 2.171 261 F HA 0.075 4.605 4.527 0.004 0.000 0.300 261 F C 0.377 176.104 175.800 -0.122 0.000 1.090 261 F CA 1.165 59.047 58.000 -0.196 0.000 1.293 261 F CB 0.243 39.261 39.000 0.030 0.000 1.013 261 F HN 0.518 nan 8.300 nan 0.000 0.486 262 A N -0.820 121.928 122.820 -0.121 0.000 2.511 262 A HA 0.302 4.624 4.320 0.004 0.000 0.293 262 A C -0.905 176.638 177.584 -0.068 0.000 1.098 262 A CA -0.698 51.232 52.037 -0.178 0.000 0.643 262 A CB 0.070 18.956 19.000 -0.190 0.000 1.302 262 A HN 0.076 nan 8.150 nan 0.000 0.446 263 E N -0.025 120.140 120.200 -0.058 0.000 2.265 263 E HA 0.393 4.746 4.350 0.004 0.000 0.272 263 E C 1.088 177.696 176.600 0.014 0.000 1.067 263 E CA 1.175 57.557 56.400 -0.030 0.000 0.900 263 E CB 0.098 29.782 29.700 -0.027 0.000 1.017 263 E HN 1.933 nan 8.360 nan 0.000 0.431 264 G N 3.017 111.826 108.800 0.015 0.000 2.258 264 G HA2 -0.250 3.713 3.960 0.004 0.000 0.233 264 G HA3 -0.250 3.713 3.960 0.004 0.000 0.233 264 G C -0.029 174.924 174.900 0.089 0.000 1.006 264 G CA 0.063 45.191 45.100 0.047 0.000 0.620 264 G HN 0.514 nan 8.290 nan 0.000 0.511 265 V N 1.360 121.343 119.914 0.115 0.000 2.417 265 V HA 0.710 4.832 4.120 0.004 0.000 0.291 265 V C 0.120 176.283 176.094 0.115 0.000 1.024 265 V CA -0.417 61.986 62.300 0.171 0.000 0.861 265 V CB 1.740 33.750 31.823 0.311 0.000 0.985 265 V HN 0.413 nan 8.190 nan 0.000 0.436 266 K N 3.964 124.402 120.400 0.062 0.000 2.541 266 K HA 0.670 4.993 4.320 0.004 0.000 0.250 266 K C -1.677 174.937 176.600 0.022 0.000 0.950 266 K CA -0.482 55.822 56.287 0.027 0.000 0.805 266 K CB 2.184 34.671 32.500 -0.021 0.000 1.166 266 K HN 0.471 nan 8.250 nan 0.000 0.430 267 V N 2.918 122.874 119.914 0.071 0.000 2.439 267 V HA 0.463 4.586 4.120 0.004 0.000 0.282 267 V C -0.403 175.738 176.094 0.078 0.000 1.039 267 V CA -0.387 61.942 62.300 0.049 0.000 0.913 267 V CB 1.521 33.401 31.823 0.095 0.000 0.983 267 V HN 0.848 nan 8.190 nan 0.000 0.460 268 S N 1.910 117.639 115.700 0.047 0.000 2.618 268 S HA 0.950 5.422 4.470 0.004 0.000 0.277 268 S C -0.049 174.604 174.600 0.089 0.000 1.138 268 S CA -0.424 57.828 58.200 0.086 0.000 0.844 268 S CB 2.228 65.489 63.200 0.102 0.000 1.127 268 S HN 1.189 nan 8.310 nan 0.000 0.474 269 G N 0.381 109.243 108.800 0.104 0.000 2.646 269 G HA2 0.737 4.700 3.960 0.004 0.000 0.291 269 G HA3 0.737 4.700 3.960 0.004 0.000 0.291 269 G C -1.279 173.686 174.900 0.108 0.000 1.445 269 G CA -0.260 44.903 45.100 0.105 0.000 0.814 269 G HN 1.357 nan 8.290 nan 0.000 0.495 270 S N -1.897 113.868 115.700 0.108 0.000 2.633 270 S HA 0.671 5.144 4.470 0.004 0.000 0.271 270 S C -1.763 172.899 174.600 0.103 0.000 1.112 270 S CA -0.681 57.582 58.200 0.104 0.000 0.828 270 S CB 1.564 64.828 63.200 0.106 0.000 1.086 270 S HN 1.453 nan 8.310 nan 0.000 0.461 271 V N 1.732 121.707 119.914 0.100 0.000 2.525 271 V HA 0.635 4.757 4.120 0.004 0.000 0.299 271 V C -0.717 175.430 176.094 0.088 0.000 1.034 271 V CA -0.413 61.949 62.300 0.103 0.000 0.863 271 V CB 1.372 33.255 31.823 0.099 0.000 0.999 271 V HN 0.936 nan 8.190 nan 0.000 0.423 272 Q N 1.702 121.553 119.800 0.086 0.000 2.423 272 Q HA 0.699 5.041 4.340 0.004 0.000 0.278 272 Q C -0.929 175.081 176.000 0.017 0.000 1.097 272 Q CA -0.678 55.164 55.803 0.065 0.000 0.809 272 Q CB 2.769 31.607 28.738 0.166 0.000 1.391 272 Q HN 0.640 nan 8.270 nan 0.000 0.428 273 S N 0.184 115.725 115.700 -0.265 0.000 2.707 273 S HA 0.629 5.102 4.470 0.004 0.000 0.312 273 S C -0.336 173.815 174.600 -0.749 0.000 1.116 273 S CA -0.465 57.425 58.200 -0.518 0.000 1.078 273 S CB 0.714 63.284 63.200 -1.050 0.000 0.997 273 S HN 0.723 nan 8.310 nan 0.000 0.477 274 G N 2.498 110.636 108.800 -1.103 0.000 2.616 274 G HA2 0.410 4.372 3.960 0.004 0.000 0.268 274 G HA3 0.410 4.372 3.960 0.004 0.000 0.268 274 G C 0.382 174.680 174.900 -1.003 0.000 1.213 274 G CA -0.528 43.344 45.100 -2.047 0.000 0.926 274 G HN 0.701 nan 8.290 nan 0.000 0.523 275 F N 0.458 120.051 119.950 -0.595 0.000 2.269 275 F HA 0.009 4.539 4.527 0.004 0.000 0.301 275 F C 2.593 178.275 175.800 -0.196 0.000 1.082 275 F CA 1.208 59.050 58.000 -0.264 0.000 1.360 275 F CB -0.098 38.809 39.000 -0.155 0.000 1.041 275 F HN 0.377 nan 8.300 nan 0.000 0.512 276 A N -0.394 122.378 122.820 -0.079 0.000 2.507 276 A HA 0.247 4.569 4.320 0.004 0.000 0.270 276 A C 0.878 178.405 177.584 -0.094 0.000 1.318 276 A CA 0.173 52.179 52.037 -0.053 0.000 0.924 276 A CB -0.938 18.042 19.000 -0.033 0.000 1.061 276 A HN 0.363 nan 8.150 nan 0.000 0.516 277 N N -0.138 118.471 118.700 -0.152 0.000 2.747 277 N HA -0.154 4.588 4.740 0.004 0.000 0.249 277 N C -0.789 174.638 175.510 -0.139 0.000 1.107 277 N CA 1.184 54.150 53.050 -0.139 0.000 0.707 277 N CB -1.366 37.085 38.487 -0.060 0.000 1.054 277 N HN 0.695 nan 8.380 nan 0.000 0.555 278 E N -0.538 119.545 120.200 -0.196 0.000 2.366 278 E HA 0.378 4.731 4.350 0.004 0.000 0.266 278 E C -0.044 176.508 176.600 -0.081 0.000 1.051 278 E CA 0.025 56.358 56.400 -0.112 0.000 0.884 278 E CB 0.751 30.410 29.700 -0.068 0.000 1.006 278 E HN 0.166 nan 8.360 nan 0.000 0.417 279 T N 1.579 116.121 114.554 -0.020 0.000 2.792 279 T HA 0.535 4.887 4.350 0.004 0.000 0.280 279 T C -0.762 173.972 174.700 0.057 0.000 0.990 279 T CA -0.872 61.251 62.100 0.037 0.000 0.960 279 T CB 0.715 69.635 68.868 0.088 0.000 0.939 279 T HN 0.377 nan 8.240 nan 0.000 0.439 280 V N 0.103 120.089 119.914 0.120 0.000 2.841 280 V HA 1.055 5.177 4.120 0.004 0.000 0.310 280 V C -0.750 175.457 176.094 0.189 0.000 1.090 280 V CA -1.178 61.190 62.300 0.113 0.000 0.930 280 V CB 1.426 33.287 31.823 0.063 0.000 1.014 280 V HN 1.119 nan 8.190 nan 0.000 0.425 281 A N 3.467 126.452 122.820 0.274 0.000 2.539 281 A HA 1.005 5.327 4.320 0.004 0.000 0.296 281 A C -1.201 176.511 177.584 0.213 0.000 1.073 281 A CA -0.023 52.151 52.037 0.228 0.000 0.700 281 A CB 2.021 21.153 19.000 0.220 0.000 1.296 281 A HN 1.606 nan 8.150 nan 0.000 0.405 282 D N -1.386 119.120 120.400 0.178 0.000 2.609 282 D HA 0.573 5.216 4.640 0.004 0.000 0.239 282 D C -1.454 174.966 176.300 0.201 0.000 1.229 282 D CA -0.685 53.458 54.000 0.240 0.000 0.808 282 D CB 1.966 42.936 40.800 0.284 0.000 1.448 282 D HN 1.121 nan 8.370 nan 0.000 0.433 283 V N 0.301 120.310 119.914 0.158 0.000 2.697 283 V HA 0.825 4.948 4.120 0.004 0.000 0.296 283 V C -0.700 175.192 176.094 -0.338 0.000 1.140 283 V CA 0.580 62.870 62.300 -0.015 0.000 0.921 283 V CB 0.868 32.681 31.823 -0.017 0.000 1.036 283 V HN 1.228 nan 8.190 nan 0.000 0.438 284 G N 4.292 112.762 108.800 -0.549 0.000 2.619 284 G HA2 0.700 4.662 3.960 0.004 0.000 0.305 284 G HA3 0.700 4.662 3.960 0.004 0.000 0.305 284 G C -1.831 172.738 174.900 -0.551 0.000 1.330 284 G CA -0.213 44.302 45.100 -0.975 0.000 0.789 284 G HN 1.005 nan 8.290 nan 0.000 0.487 285 V N -0.109 119.438 119.914 -0.611 0.000 2.864 285 V HA 0.828 4.950 4.120 0.004 0.000 0.314 285 V C -0.116 175.850 176.094 -0.212 0.000 1.073 285 V CA -0.887 61.183 62.300 -0.383 0.000 0.956 285 V CB 1.939 33.444 31.823 -0.530 0.000 1.023 285 V HN 0.894 nan 8.190 nan 0.000 0.435 286 R N 3.012 123.475 120.500 -0.061 0.000 2.538 286 R HA 0.619 4.962 4.340 0.004 0.000 0.292 286 R C -2.037 174.288 176.300 0.040 0.000 1.008 286 R CA -0.452 55.603 56.100 -0.076 0.000 0.896 286 R CB 1.595 31.791 30.300 -0.174 0.000 1.187 286 R HN 0.679 nan 8.270 nan 0.000 0.440 287 F N 0.571 120.484 119.950 -0.061 0.000 2.529 287 F HA 0.534 5.063 4.527 0.004 0.000 0.320 287 F C -1.126 174.615 175.800 -0.097 0.000 1.118 287 F CA -1.347 56.641 58.000 -0.020 0.000 0.915 287 F CB 1.528 40.578 39.000 0.083 0.000 1.161 287 F HN 0.331 nan 8.300 nan 0.000 0.445 288 D N 4.221 124.610 120.400 -0.018 0.000 2.233 288 D HA 0.518 5.161 4.640 0.004 0.000 0.240 288 D C -0.616 175.672 176.300 -0.020 0.000 1.074 288 D CA -0.030 53.859 54.000 -0.185 0.000 0.838 288 D CB 1.329 42.066 40.800 -0.106 0.000 1.124 288 D HN 0.419 nan 8.370 nan 0.000 0.475 289 F N 0.000 120.048 119.950 0.164 0.000 2.286 289 F HA 0.000 4.530 4.527 0.004 0.000 0.279 289 F CA 0.000 58.091 58.000 0.152 0.000 1.383 289 F CB 0.000 39.118 39.000 0.197 0.000 1.145 289 F HN 0.000 nan 8.300 nan 0.000 0.574