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 6prn_1_A DATA FIRST_RESID 1 DATA SEQUENCE MISLNGYGRF GLQYVEDRGV GLEDTIISSR LRINIVGTTE TDQGVTFGAA DATA SEQUENCE LAMQWDDGDA 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.328 176.300 0.046 0.000 1.140 1 M CA 0.000 55.325 55.300 0.043 0.000 0.988 1 M CB 0.000 32.632 32.600 0.053 0.000 1.302 2 I N 2.533 123.131 120.570 0.047 0.000 2.436 2 I HA 0.646 4.818 4.170 0.004 0.000 0.289 2 I C -0.320 175.834 176.117 0.062 0.000 1.010 2 I CA -0.508 60.823 61.300 0.052 0.000 1.098 2 I CB 2.444 40.469 38.000 0.042 0.000 1.266 2 I HN 0.935 nan 8.210 nan 0.000 0.434 3 S N 6.987 122.733 115.700 0.077 0.000 2.566 3 S HA 0.774 5.247 4.470 0.004 0.000 0.298 3 S C -0.844 173.810 174.600 0.089 0.000 1.083 3 S CA -0.931 57.318 58.200 0.081 0.000 0.978 3 S CB 2.326 65.578 63.200 0.087 0.000 1.073 3 S HN 0.404 nan 8.310 nan 0.000 0.491 4 L N 2.398 123.677 121.223 0.093 0.000 2.365 4 L HA 0.646 4.988 4.340 0.004 0.000 0.273 4 L C -0.718 176.233 176.870 0.135 0.000 1.000 4 L CA -0.690 54.215 54.840 0.109 0.000 0.819 4 L CB 1.623 43.745 42.059 0.105 0.000 1.284 4 L HN 1.044 nan 8.230 nan 0.000 0.418 5 N N 0.974 119.759 118.700 0.141 0.000 2.853 5 N HA 0.895 5.638 4.740 0.004 0.000 0.258 5 N C -0.622 174.960 175.510 0.118 0.000 1.444 5 N CA -0.422 52.717 53.050 0.149 0.000 0.837 5 N CB 2.380 40.917 38.487 0.084 0.000 1.489 5 N HN 0.719 nan 8.380 nan 0.000 0.529 6 G N -1.833 106.931 108.800 -0.060 0.000 2.335 6 G HA2 0.447 4.409 3.960 0.004 0.000 0.291 6 G HA3 0.447 4.409 3.960 0.004 0.000 0.291 6 G C -2.319 172.060 174.900 -0.869 0.000 1.261 6 G CA -0.309 44.615 45.100 -0.294 0.000 0.871 6 G HN 1.244 nan 8.290 nan 0.000 0.491 7 Y N -1.993 117.741 120.300 -0.943 0.000 2.624 7 Y HA 0.798 5.351 4.550 0.004 0.000 0.334 7 Y C -0.111 175.460 175.900 -0.548 0.000 1.155 7 Y CA -0.922 56.583 58.100 -0.992 0.000 1.046 7 Y CB 1.154 39.303 38.460 -0.518 0.000 1.316 7 Y HN 1.336 nan 8.280 nan 0.000 0.457 8 G N 1.507 109.992 108.800 -0.526 0.000 2.519 8 G HA2 0.744 4.706 3.960 0.004 0.000 0.307 8 G HA3 0.744 4.706 3.960 0.004 0.000 0.307 8 G C -1.798 172.877 174.900 -0.375 0.000 1.266 8 G CA -1.451 43.401 45.100 -0.412 0.000 0.970 8 G HN 1.036 nan 8.290 nan 0.000 0.481 9 R N -0.383 120.159 120.500 0.070 0.000 2.668 9 R HA 0.788 5.130 4.340 0.004 0.000 0.272 9 R C -1.819 174.720 176.300 0.397 0.000 1.019 9 R CA -0.917 55.292 56.100 0.181 0.000 0.894 9 R CB 1.815 32.270 30.300 0.258 0.000 1.228 9 R HN 0.894 nan 8.270 nan 0.000 0.460 10 F N -1.022 119.048 119.950 0.200 0.000 2.678 10 F HA 0.878 5.408 4.527 0.004 0.000 0.308 10 F C -0.652 174.982 175.800 -0.277 0.000 1.118 10 F CA -0.167 57.910 58.000 0.127 0.000 0.959 10 F CB 1.594 40.692 39.000 0.165 0.000 1.305 10 F HN 0.983 nan 8.300 nan 0.000 0.443 11 G N 1.123 109.877 108.800 -0.077 0.000 2.364 11 G HA2 0.460 4.423 3.960 0.004 0.000 0.286 11 G HA3 0.460 4.423 3.960 0.004 0.000 0.286 11 G C -2.520 172.400 174.900 0.034 0.000 1.241 11 G CA -1.022 43.846 45.100 -0.386 0.000 0.887 11 G HN 0.826 nan 8.290 nan 0.000 0.484 12 L N 0.903 122.159 121.223 0.055 0.000 2.329 12 L HA 0.661 5.004 4.340 0.004 0.000 0.279 12 L C -0.127 176.908 176.870 0.275 0.000 1.014 12 L CA -0.594 54.345 54.840 0.165 0.000 0.814 12 L CB 2.031 44.153 42.059 0.105 0.000 1.257 12 L HN 0.582 nan 8.230 nan 0.000 0.424 13 Q N 3.152 123.092 119.800 0.235 0.000 2.310 13 Q HA 0.300 4.642 4.340 0.004 0.000 0.270 13 Q C -1.992 174.120 176.000 0.186 0.000 1.025 13 Q CA -0.679 55.242 55.803 0.197 0.000 0.772 13 Q CB 2.218 31.028 28.738 0.121 0.000 1.253 13 Q HN 0.577 nan 8.270 nan 0.000 0.450 14 Y N 3.615 123.948 120.300 0.055 0.000 2.352 14 Y HA 0.573 5.126 4.550 0.004 0.000 0.339 14 Y C -1.660 174.257 175.900 0.028 0.000 0.992 14 Y CA -0.615 57.509 58.100 0.039 0.000 1.100 14 Y CB 1.444 39.928 38.460 0.040 0.000 1.192 14 Y HN 0.345 nan 8.280 nan 0.000 0.458 15 V N 6.820 126.374 119.914 -0.600 0.000 2.409 15 V HA 0.182 4.304 4.120 0.004 0.000 0.290 15 V C -0.390 175.247 176.094 -0.762 0.000 1.017 15 V CA -1.075 60.925 62.300 -0.500 0.000 0.841 15 V CB 1.349 33.036 31.823 -0.227 0.000 1.003 15 V HN 0.836 nan 8.190 nan 0.000 0.426 16 E N 4.442 124.201 120.200 -0.735 0.000 2.480 16 E HA -0.003 4.350 4.350 0.004 0.000 0.258 16 E C -0.248 176.223 176.600 -0.216 0.000 0.984 16 E CA 0.069 56.200 56.400 -0.449 0.000 0.930 16 E CB 0.274 29.921 29.700 -0.088 0.000 0.936 16 E HN 0.720 nan 8.360 nan 0.000 0.466 17 D N 3.170 123.486 120.400 -0.140 0.000 2.735 17 D HA -0.240 4.403 4.640 0.004 0.000 0.235 17 D C 0.743 176.991 176.300 -0.086 0.000 1.175 17 D CA 0.796 54.751 54.000 -0.075 0.000 0.683 17 D CB -0.603 40.173 40.800 -0.039 0.000 1.008 17 D HN 0.645 nan 8.370 nan 0.000 0.416 18 R N 0.201 120.635 120.500 -0.111 0.000 2.105 18 R HA -0.035 4.308 4.340 0.004 0.000 0.239 18 R C 1.190 177.456 176.300 -0.057 0.000 1.135 18 R CA 1.765 57.810 56.100 -0.093 0.000 0.967 18 R CB 0.160 30.401 30.300 -0.098 0.000 0.861 18 R HN 0.437 nan 8.270 nan 0.000 0.442 19 G N -1.735 107.039 108.800 -0.043 0.000 2.361 19 G HA2 0.156 4.118 3.960 0.004 0.000 0.299 19 G HA3 0.156 4.118 3.960 0.004 0.000 0.299 19 G C -1.543 173.345 174.900 -0.021 0.000 1.544 19 G CA -0.872 44.210 45.100 -0.030 0.000 0.860 19 G HN 0.011 nan 8.290 nan 0.000 0.610 20 V N 1.470 121.374 119.914 -0.016 0.000 2.509 20 V HA 0.366 4.488 4.120 0.004 0.000 0.297 20 V C 1.797 177.886 176.094 -0.008 0.000 1.014 20 V CA 2.183 64.477 62.300 -0.010 0.000 1.127 20 V CB 0.588 32.406 31.823 -0.008 0.000 0.925 20 V HN 2.531 nan 8.190 nan 0.000 0.480 21 G N 4.367 113.165 108.800 -0.004 0.000 2.153 21 G HA2 -0.239 3.724 3.960 0.004 0.000 0.252 21 G HA3 -0.239 3.724 3.960 0.004 0.000 0.252 21 G C -0.129 174.769 174.900 -0.003 0.000 0.994 21 G CA 0.370 45.469 45.100 -0.002 0.000 0.698 21 G HN 0.573 nan 8.290 nan 0.000 0.521 22 L N -0.624 120.595 121.223 -0.006 0.000 2.330 22 L HA 0.679 5.021 4.340 0.004 0.000 0.271 22 L C 0.345 177.213 176.870 -0.002 0.000 1.013 22 L CA -1.283 53.552 54.840 -0.008 0.000 0.816 22 L CB 1.545 43.593 42.059 -0.019 0.000 1.287 22 L HN 0.001 nan 8.230 nan 0.000 0.435 23 E N 0.707 120.910 120.200 0.005 0.000 2.316 23 E HA 0.033 4.386 4.350 0.004 0.000 0.275 23 E C 0.027 176.632 176.600 0.009 0.000 1.029 23 E CA 0.111 56.522 56.400 0.019 0.000 0.871 23 E CB 0.955 30.672 29.700 0.029 0.000 1.022 23 E HN 0.372 nan 8.360 nan 0.000 0.418 24 D N 1.575 121.988 120.400 0.022 0.000 2.194 24 D HA -0.028 4.614 4.640 0.004 0.000 0.204 24 D C -0.180 176.136 176.300 0.027 0.000 0.964 24 D CA 0.974 54.952 54.000 -0.036 0.000 0.846 24 D CB 0.275 41.068 40.800 -0.012 0.000 0.962 24 D HN 0.295 nan 8.370 nan 0.000 0.490 25 T N 1.542 116.178 114.554 0.137 0.000 2.758 25 T HA 0.551 4.903 4.350 0.004 0.000 0.285 25 T C 0.367 175.132 174.700 0.108 0.000 0.981 25 T CA -0.607 61.599 62.100 0.175 0.000 0.965 25 T CB 1.274 70.272 68.868 0.216 0.000 0.927 25 T HN 0.020 nan 8.240 nan 0.000 0.448 26 I N -0.275 120.356 120.570 0.100 0.000 3.108 26 I HA 0.687 4.859 4.170 0.004 0.000 0.312 26 I C -0.928 175.259 176.117 0.117 0.000 1.095 26 I CA -1.737 59.615 61.300 0.087 0.000 1.000 26 I CB 1.755 39.791 38.000 0.060 0.000 1.229 26 I HN 0.434 nan 8.210 nan 0.000 0.454 27 I N 2.642 123.283 120.570 0.119 0.000 2.301 27 I HA 0.201 4.374 4.170 0.004 0.000 0.292 27 I C 0.215 176.441 176.117 0.182 0.000 1.046 27 I CA 0.164 61.559 61.300 0.158 0.000 1.282 27 I CB 1.221 39.307 38.000 0.142 0.000 1.409 27 I HN 0.577 nan 8.210 nan 0.000 0.484 28 S N 5.193 121.036 115.700 0.237 0.000 2.462 28 S HA 0.734 5.207 4.470 0.004 0.000 0.294 28 S C -0.315 174.478 174.600 0.321 0.000 1.144 28 S CA -0.431 57.896 58.200 0.212 0.000 1.088 28 S CB 0.730 64.028 63.200 0.163 0.000 1.009 28 S HN 0.691 nan 8.310 nan 0.000 0.484 29 S N 4.096 119.937 115.700 0.234 0.000 2.607 29 S HA 0.755 5.228 4.470 0.004 0.000 0.273 29 S C -1.027 173.712 174.600 0.231 0.000 1.148 29 S CA -1.085 57.328 58.200 0.355 0.000 0.833 29 S CB 1.755 65.243 63.200 0.481 0.000 1.130 29 S HN 0.916 nan 8.310 nan 0.000 0.470 30 R N 0.388 121.065 120.500 0.296 0.000 2.626 30 R HA 0.696 5.039 4.340 0.004 0.000 0.274 30 R C -2.396 174.035 176.300 0.218 0.000 1.031 30 R CA -0.878 55.339 56.100 0.195 0.000 0.898 30 R CB 1.571 31.922 30.300 0.084 0.000 1.222 30 R HN 0.736 nan 8.270 nan 0.000 0.455 31 L N 3.379 124.748 121.223 0.244 0.000 2.356 31 L HA 0.630 4.973 4.340 0.004 0.000 0.277 31 L C -1.343 175.490 176.870 -0.061 0.000 0.996 31 L CA -0.374 54.534 54.840 0.112 0.000 0.822 31 L CB 1.548 43.739 42.059 0.219 0.000 1.256 31 L HN 0.718 nan 8.230 nan 0.000 0.413 32 R N 5.124 125.423 120.500 -0.336 0.000 2.439 32 R HA 0.758 5.100 4.340 0.004 0.000 0.310 32 R C -1.876 174.323 176.300 -0.168 0.000 0.955 32 R CA -0.331 55.553 56.100 -0.360 0.000 0.853 32 R CB 1.007 30.808 30.300 -0.832 0.000 1.171 32 R HN 0.728 nan 8.270 nan 0.000 0.449 33 I N 3.912 124.476 120.570 -0.009 0.000 2.433 33 I HA 0.407 4.580 4.170 0.004 0.000 0.292 33 I C -0.531 175.624 176.117 0.063 0.000 1.001 33 I CA -0.927 60.420 61.300 0.078 0.000 1.119 33 I CB 2.068 40.138 38.000 0.117 0.000 1.289 33 I HN 0.552 nan 8.210 nan 0.000 0.438 34 N N 7.175 125.919 118.700 0.074 0.000 2.372 34 N HA 0.570 5.313 4.740 0.004 0.000 0.291 34 N C -0.920 174.644 175.510 0.091 0.000 1.024 34 N CA -0.393 52.705 53.050 0.079 0.000 0.873 34 N CB 2.557 41.082 38.487 0.065 0.000 1.206 34 N HN 0.418 nan 8.380 nan 0.000 0.486 35 I N 1.776 122.400 120.570 0.091 0.000 2.355 35 I HA 0.309 4.481 4.170 0.004 0.000 0.288 35 I C -0.492 175.683 176.117 0.096 0.000 0.999 35 I CA -0.798 60.552 61.300 0.084 0.000 1.163 35 I CB 1.559 39.599 38.000 0.066 0.000 1.316 35 I HN -0.018 nan 8.210 nan 0.000 0.454 36 V N 5.238 125.217 119.914 0.107 0.000 2.444 36 V HA 0.618 4.740 4.120 0.004 0.000 0.294 36 V C 0.433 176.583 176.094 0.094 0.000 1.022 36 V CA -0.546 61.839 62.300 0.142 0.000 0.850 36 V CB 1.718 33.668 31.823 0.211 0.000 0.992 36 V HN 0.853 nan 8.190 nan 0.000 0.426 37 G N 2.710 111.532 108.800 0.038 0.000 2.343 37 G HA2 0.692 4.654 3.960 0.004 0.000 0.319 37 G HA3 0.692 4.654 3.960 0.004 0.000 0.319 37 G C -0.258 174.626 174.900 -0.027 0.000 1.126 37 G CA -0.311 44.794 45.100 0.009 0.000 0.889 37 G HN 0.771 nan 8.290 nan 0.000 0.457 38 T N -1.456 113.110 114.554 0.019 0.000 2.912 38 T HA 0.700 5.053 4.350 0.004 0.000 0.299 38 T C -0.578 174.152 174.700 0.050 0.000 1.052 38 T CA -0.770 61.346 62.100 0.026 0.000 0.996 38 T CB 2.184 71.118 68.868 0.111 0.000 1.070 38 T HN 0.320 nan 8.240 nan 0.000 0.465 39 T N 2.632 117.232 114.554 0.078 0.000 2.864 39 T HA 0.427 4.779 4.350 0.004 0.000 0.299 39 T C -0.500 174.299 174.700 0.165 0.000 1.011 39 T CA -0.663 61.498 62.100 0.102 0.000 0.975 39 T CB 1.072 69.987 68.868 0.078 0.000 0.962 39 T HN 0.679 nan 8.240 nan 0.000 0.448 40 E N 2.019 122.295 120.200 0.127 0.000 2.242 40 E HA 0.579 4.932 4.350 0.004 0.000 0.275 40 E C 0.201 176.878 176.600 0.130 0.000 1.002 40 E CA -0.782 55.697 56.400 0.132 0.000 0.841 40 E CB 1.210 30.971 29.700 0.102 0.000 1.109 40 E HN 0.662 nan 8.360 nan 0.000 0.394 41 T N -1.812 112.825 114.554 0.138 0.000 2.924 41 T HA 0.177 4.529 4.350 0.004 0.000 0.291 41 T C 0.396 175.154 174.700 0.096 0.000 1.045 41 T CA -0.898 61.275 62.100 0.122 0.000 1.015 41 T CB 1.304 70.266 68.868 0.156 0.000 1.103 41 T HN 0.448 nan 8.240 nan 0.000 0.496 42 D N 0.051 120.497 120.400 0.076 0.000 2.347 42 D HA -0.097 4.546 4.640 0.004 0.000 0.215 42 D C 1.487 177.832 176.300 0.075 0.000 0.976 42 D CA 0.522 54.562 54.000 0.067 0.000 0.884 42 D CB -0.122 40.709 40.800 0.052 0.000 0.915 42 D HN 0.498 nan 8.370 nan 0.000 0.526 43 Q N 0.012 119.859 119.800 0.080 0.000 2.451 43 Q HA 0.155 4.498 4.340 0.004 0.000 0.206 43 Q C 1.547 177.633 176.000 0.142 0.000 0.947 43 Q CA 0.919 56.770 55.803 0.080 0.000 0.937 43 Q CB 0.220 28.977 28.738 0.032 0.000 1.025 43 Q HN 0.541 nan 8.270 nan 0.000 0.511 44 G N 0.433 109.323 108.800 0.150 0.000 2.141 44 G HA2 -0.233 3.729 3.960 0.004 0.000 0.242 44 G HA3 -0.233 3.729 3.960 0.004 0.000 0.242 44 G C 0.048 175.104 174.900 0.261 0.000 0.982 44 G CA 0.184 45.410 45.100 0.210 0.000 0.662 44 G HN 0.216 nan 8.290 nan 0.000 0.527 45 V N 1.560 121.553 119.914 0.131 0.000 2.383 45 V HA 0.613 4.736 4.120 0.004 0.000 0.275 45 V C 0.635 176.702 176.094 -0.044 0.000 1.036 45 V CA 0.034 62.331 62.300 -0.005 0.000 0.889 45 V CB 1.517 33.227 31.823 -0.189 0.000 0.985 45 V HN 0.272 nan 8.190 nan 0.000 0.459 46 T N 5.903 120.412 114.554 -0.075 0.000 2.829 46 T HA 0.661 5.013 4.350 0.004 0.000 0.282 46 T C -0.652 173.926 174.700 -0.203 0.000 0.990 46 T CA -0.024 62.078 62.100 0.004 0.000 1.028 46 T CB 0.649 69.596 68.868 0.131 0.000 0.951 46 T HN 0.303 nan 8.240 nan 0.000 0.460 47 F N 1.158 121.090 119.950 -0.030 0.000 2.480 47 F HA 0.725 5.255 4.527 0.004 0.000 0.329 47 F C 0.838 176.398 175.800 -0.400 0.000 1.091 47 F CA -0.588 57.309 58.000 -0.172 0.000 0.972 47 F CB 2.115 41.048 39.000 -0.111 0.000 1.150 47 F HN 0.702 nan 8.300 nan 0.000 0.467 48 G N 0.412 108.743 108.800 -0.782 0.000 2.690 48 G HA2 0.772 4.734 3.960 0.004 0.000 0.293 48 G HA3 0.772 4.734 3.960 0.004 0.000 0.293 48 G C -2.194 171.936 174.900 -1.283 0.000 1.399 48 G CA -0.941 43.376 45.100 -1.306 0.000 0.890 48 G HN 0.871 nan 8.290 nan 0.000 0.485 49 A N -0.638 121.691 122.820 -0.819 0.000 2.486 49 A HA 1.009 5.332 4.320 0.004 0.000 0.300 49 A C -0.376 177.110 177.584 -0.163 0.000 1.048 49 A CA -0.023 51.747 52.037 -0.445 0.000 0.696 49 A CB 1.739 20.611 19.000 -0.214 0.000 1.278 49 A HN 2.299 nan 8.150 nan 0.000 0.405 50 A N 0.878 123.692 122.820 -0.009 0.000 2.475 50 A HA 0.835 5.158 4.320 0.004 0.000 0.301 50 A C -1.639 175.986 177.584 0.068 0.000 1.059 50 A CA -0.426 51.696 52.037 0.141 0.000 0.710 50 A CB 1.483 20.681 19.000 0.330 0.000 1.288 50 A HN 1.715 nan 8.150 nan 0.000 0.408 51 L N 0.936 122.212 121.223 0.088 0.000 2.401 51 L HA 0.890 5.233 4.340 0.004 0.000 0.266 51 L C -0.122 176.820 176.870 0.120 0.000 0.991 51 L CA -0.059 54.831 54.840 0.083 0.000 0.818 51 L CB 1.994 44.080 42.059 0.045 0.000 1.321 51 L HN 1.168 nan 8.230 nan 0.000 0.413 52 A N 5.097 127.996 122.820 0.133 0.000 2.350 52 A HA 0.879 5.201 4.320 0.004 0.000 0.324 52 A C -1.082 176.554 177.584 0.086 0.000 1.118 52 A CA -0.580 51.531 52.037 0.124 0.000 0.783 52 A CB 1.261 20.373 19.000 0.186 0.000 1.236 52 A HN 0.692 nan 8.150 nan 0.000 0.457 53 M N 2.103 121.749 119.600 0.077 0.000 2.085 53 M HA 0.387 4.870 4.480 0.004 0.000 0.309 53 M C -0.636 175.710 176.300 0.077 0.000 0.947 53 M CA -0.008 55.342 55.300 0.082 0.000 0.918 53 M CB 1.781 34.430 32.600 0.081 0.000 1.504 53 M HN 0.837 nan 8.290 nan 0.000 0.420 54 Q N 2.645 122.497 119.800 0.087 0.000 2.323 54 Q HA 0.478 4.821 4.340 0.004 0.000 0.271 54 Q C -2.161 173.926 176.000 0.146 0.000 1.048 54 Q CA -0.613 55.231 55.803 0.068 0.000 0.792 54 Q CB 2.649 31.386 28.738 -0.001 0.000 1.280 54 Q HN 0.760 nan 8.270 nan 0.000 0.441 55 W N 4.476 125.767 121.300 -0.015 0.000 2.702 55 W HA 0.516 5.178 4.660 0.004 0.000 0.331 55 W C -1.445 175.073 176.519 -0.002 0.000 1.049 55 W CA -0.321 57.029 57.345 0.009 0.000 1.230 55 W CB 1.509 30.985 29.460 0.025 0.000 1.408 55 W HN 0.540 nan 8.180 nan 0.000 0.492 56 D N 4.170 123.937 120.400 -1.056 0.000 2.527 56 D HA 0.065 4.708 4.640 0.004 0.000 0.233 56 D C -0.680 174.597 176.300 -1.706 0.000 1.063 56 D CA -0.353 53.004 54.000 -1.071 0.000 0.880 56 D CB 2.004 42.490 40.800 -0.523 0.000 1.457 56 D HN 0.519 nan 8.370 nan 0.000 0.475 57 D N -0.369 119.325 120.400 -1.177 0.000 2.472 57 D HA 0.128 4.770 4.640 0.004 0.000 0.237 57 D C 1.017 177.075 176.300 -0.404 0.000 1.141 57 D CA 0.203 53.796 54.000 -0.678 0.000 0.875 57 D CB 1.343 42.051 40.800 -0.153 0.000 1.192 57 D HN 0.686 nan 8.370 nan 0.000 0.450 58 G N 2.142 110.822 108.800 -0.201 0.000 2.195 58 G HA2 -0.243 3.719 3.960 0.004 0.000 0.246 58 G HA3 -0.243 3.719 3.960 0.004 0.000 0.246 58 G C 0.002 174.802 174.900 -0.167 0.000 0.984 58 G CA 0.135 45.151 45.100 -0.141 0.000 0.633 58 G HN 0.675 nan 8.290 nan 0.000 0.525 59 D N 1.438 121.687 120.400 -0.252 0.000 2.443 59 D HA 0.507 5.149 4.640 0.004 0.000 0.239 59 D C 1.061 177.322 176.300 -0.066 0.000 1.136 59 D CA 0.886 54.779 54.000 -0.179 0.000 0.879 59 D CB 0.987 41.675 40.800 -0.187 0.000 1.195 59 D HN 0.808 nan 8.370 nan 0.000 0.443 60 A N 2.222 124.958 122.820 -0.141 0.000 2.540 60 A HA 0.231 4.554 4.320 0.004 0.000 0.239 60 A C 0.298 177.746 177.584 -0.227 0.000 1.061 60 A CA -0.059 51.750 52.037 -0.381 0.000 0.758 60 A CB -0.430 18.197 19.000 -0.622 0.000 0.991 60 A HN 0.621 nan 8.150 nan 0.000 0.502 61 F N -0.405 119.604 119.950 0.097 0.000 2.748 61 F HA -0.267 4.262 4.527 0.004 0.000 0.370 61 F C 1.376 177.243 175.800 0.113 0.000 0.620 61 F CA 1.185 59.238 58.000 0.088 0.000 1.233 61 F CB -2.086 36.955 39.000 0.069 0.000 1.708 61 F HN 2.009 nan 8.300 nan 0.000 0.298 62 A N -0.661 122.322 122.820 0.272 0.000 2.745 62 A HA 0.197 4.519 4.320 0.004 0.000 0.296 62 A C 0.990 178.734 177.584 0.268 0.000 1.500 62 A CA 1.565 53.783 52.037 0.303 0.000 0.766 62 A CB -1.680 17.437 19.000 0.195 0.000 1.030 62 A HN 2.036 nan 8.150 nan 0.000 0.489 63 G N -1.988 107.016 108.800 0.340 0.000 2.733 63 G HA2 0.822 4.784 3.960 0.004 0.000 0.288 63 G HA3 0.822 4.784 3.960 0.004 0.000 0.288 63 G C -0.734 174.368 174.900 0.337 0.000 1.373 63 G CA 0.243 45.492 45.100 0.248 0.000 0.895 63 G HN 0.831 nan 8.290 nan 0.000 0.479 64 T N -0.338 114.350 114.554 0.222 0.000 2.916 64 T HA 0.756 5.108 4.350 0.004 0.000 0.298 64 T C -0.187 174.601 174.700 0.146 0.000 1.031 64 T CA 0.024 62.268 62.100 0.240 0.000 0.993 64 T CB 1.662 70.647 68.868 0.195 0.000 1.045 64 T HN 1.166 nan 8.240 nan 0.000 0.454 65 A N 1.702 124.620 122.820 0.164 0.000 2.486 65 A HA 1.003 5.325 4.320 0.004 0.000 0.289 65 A C 0.224 177.875 177.584 0.111 0.000 1.176 65 A CA -0.684 51.407 52.037 0.089 0.000 0.757 65 A CB 1.122 20.125 19.000 0.006 0.000 1.337 65 A HN 0.999 nan 8.150 nan 0.000 0.423 66 G N -0.013 108.830 108.800 0.071 0.000 2.477 66 G HA2 0.465 4.427 3.960 0.004 0.000 0.304 66 G HA3 0.465 4.427 3.960 0.004 0.000 0.304 66 G C -0.064 174.882 174.900 0.076 0.000 1.175 66 G CA -0.180 44.961 45.100 0.069 0.000 0.907 66 G HN 0.996 nan 8.290 nan 0.000 0.509 67 N N -0.511 118.217 118.700 0.046 0.000 2.645 67 N HA 0.592 5.334 4.740 0.004 0.000 0.308 67 N C 0.033 175.538 175.510 -0.008 0.000 1.335 67 N CA -0.173 52.879 53.050 0.003 0.000 0.909 67 N CB 0.268 38.699 38.487 -0.092 0.000 1.109 67 N HN 0.629 nan 8.380 nan 0.000 0.555 68 A N -1.074 121.713 122.820 -0.054 0.000 2.304 68 A HA 0.683 5.005 4.320 0.004 0.000 0.301 68 A C 0.264 177.840 177.584 -0.012 0.000 1.132 68 A CA -0.413 51.615 52.037 -0.015 0.000 0.819 68 A CB -0.210 18.778 19.000 -0.020 0.000 1.094 68 A HN 0.915 nan 8.150 nan 0.000 0.492 69 A N 0.846 123.661 122.820 -0.008 0.000 2.366 69 A HA 0.524 4.846 4.320 0.004 0.000 0.249 69 A C 0.223 177.715 177.584 -0.154 0.000 1.084 69 A CA -0.063 51.886 52.037 -0.145 0.000 0.794 69 A CB 0.235 19.026 19.000 -0.348 0.000 1.034 69 A HN 0.916 nan 8.150 nan 0.000 0.491 70 Q N 0.148 119.807 119.800 -0.235 0.000 2.365 70 Q HA 0.656 4.999 4.340 0.004 0.000 0.269 70 Q C -2.018 173.812 176.000 -0.283 0.000 1.061 70 Q CA -0.427 55.369 55.803 -0.012 0.000 0.816 70 Q CB 1.177 30.085 28.738 0.284 0.000 1.325 70 Q HN 0.601 nan 8.270 nan 0.000 0.446 71 F N 2.308 122.427 119.950 0.282 0.000 2.563 71 F HA 0.718 5.247 4.527 0.004 0.000 0.316 71 F C -0.742 175.252 175.800 0.324 0.000 1.076 71 F CA -0.563 57.535 58.000 0.165 0.000 0.921 71 F CB 1.255 40.309 39.000 0.091 0.000 1.209 71 F HN 0.634 nan 8.300 nan 0.000 0.462 72 W N -0.207 121.262 121.300 0.281 0.000 3.075 72 W HA 0.835 5.497 4.660 0.004 0.000 0.334 72 W C -2.120 174.472 176.519 0.122 0.000 1.243 72 W CA -1.181 56.271 57.345 0.178 0.000 1.170 72 W CB 1.301 30.829 29.460 0.112 0.000 1.452 72 W HN 0.404 nan 8.180 nan 0.000 0.572 73 T N 2.111 116.822 114.554 0.263 0.000 2.928 73 T HA 0.537 4.889 4.350 0.004 0.000 0.296 73 T C -1.330 173.435 174.700 0.109 0.000 1.000 73 T CA -0.610 61.460 62.100 -0.050 0.000 0.989 73 T CB 1.551 70.301 68.868 -0.196 0.000 1.005 73 T HN 0.544 nan 8.240 nan 0.000 0.442 74 S N 2.226 117.977 115.700 0.085 0.000 2.500 74 S HA 0.773 5.246 4.470 0.004 0.000 0.301 74 S C -1.910 172.781 174.600 0.151 0.000 1.092 74 S CA -0.565 57.724 58.200 0.148 0.000 1.030 74 S CB 0.822 64.145 63.200 0.206 0.000 1.031 74 S HN 0.645 nan 8.310 nan 0.000 0.483 75 Y N 3.812 124.109 120.300 -0.004 0.000 2.348 75 Y HA 0.332 4.885 4.550 0.004 0.000 0.321 75 Y C -0.209 175.701 175.900 0.016 0.000 1.163 75 Y CA -0.773 57.321 58.100 -0.010 0.000 1.070 75 Y CB 0.702 39.141 38.460 -0.035 0.000 1.250 75 Y HN 0.895 nan 8.280 nan 0.000 0.425 76 N N 4.133 122.588 118.700 -0.408 0.000 2.725 76 N HA -0.166 4.577 4.740 0.004 0.000 0.251 76 N C 0.891 176.348 175.510 -0.088 0.000 1.031 76 N CA 2.250 55.082 53.050 -0.365 0.000 0.720 76 N CB -0.943 37.154 38.487 -0.651 0.000 0.930 76 N HN 1.509 nan 8.380 nan 0.000 0.543 77 G N -3.188 105.611 108.800 -0.002 0.000 2.225 77 G HA2 -0.303 3.660 3.960 0.004 0.000 0.254 77 G HA3 -0.303 3.660 3.960 0.004 0.000 0.254 77 G C 0.091 175.104 174.900 0.189 0.000 0.988 77 G CA 0.243 45.400 45.100 0.094 0.000 0.625 77 G HN 0.576 nan 8.290 nan 0.000 0.527 78 V N 1.446 121.439 119.914 0.132 0.000 2.472 78 V HA 0.725 4.847 4.120 0.004 0.000 0.290 78 V C 0.231 176.387 176.094 0.103 0.000 1.037 78 V CA 0.092 62.462 62.300 0.117 0.000 0.908 78 V CB 1.738 33.564 31.823 0.006 0.000 0.985 78 V HN 0.281 nan 8.190 nan 0.000 0.454 79 T N 3.923 118.537 114.554 0.099 0.000 2.879 79 T HA 0.542 4.894 4.350 0.004 0.000 0.290 79 T C -0.571 174.206 174.700 0.129 0.000 0.993 79 T CA -0.375 61.791 62.100 0.110 0.000 0.975 79 T CB 1.645 70.544 68.868 0.052 0.000 0.981 79 T HN 0.345 nan 8.240 nan 0.000 0.439 80 V N 3.783 123.795 119.914 0.163 0.000 2.435 80 V HA 0.729 4.851 4.120 0.004 0.000 0.290 80 V C 0.125 176.370 176.094 0.252 0.000 1.030 80 V CA -0.723 61.681 62.300 0.173 0.000 0.881 80 V CB 1.634 33.541 31.823 0.139 0.000 0.983 80 V HN 1.057 nan 8.190 nan 0.000 0.445 81 S N 3.819 119.671 115.700 0.254 0.000 2.568 81 S HA 0.928 5.401 4.470 0.004 0.000 0.293 81 S C -0.968 173.808 174.600 0.295 0.000 1.089 81 S CA -0.754 57.642 58.200 0.327 0.000 0.945 81 S CB 2.150 65.537 63.200 0.311 0.000 1.077 81 S HN 0.434 nan 8.310 nan 0.000 0.485 82 V N 1.037 121.161 119.914 0.350 0.000 3.007 82 V HA 0.911 5.033 4.120 0.004 0.000 0.311 82 V C 0.949 177.281 176.094 0.396 0.000 1.120 82 V CA 0.267 62.761 62.300 0.323 0.000 0.980 82 V CB 0.990 32.987 31.823 0.289 0.000 1.033 82 V HN 1.674 nan 8.190 nan 0.000 0.429 83 G N 3.299 112.289 108.800 0.316 0.000 2.848 83 G HA2 -0.225 3.738 3.960 0.004 0.000 0.246 83 G HA3 -0.225 3.738 3.960 0.004 0.000 0.246 83 G C 0.017 175.088 174.900 0.285 0.000 1.374 83 G CA 0.322 45.614 45.100 0.320 0.000 0.982 83 G HN 0.953 nan 8.290 nan 0.000 0.563 84 N N 1.720 120.582 118.700 0.269 0.000 2.868 84 N HA 0.444 5.186 4.740 0.004 0.000 0.252 84 N C 0.527 176.254 175.510 0.362 0.000 1.130 84 N CA 0.465 53.666 53.050 0.251 0.000 1.026 84 N CB 0.080 38.605 38.487 0.064 0.000 1.335 84 N HN 1.233 nan 8.380 nan 0.000 0.516 85 V N -0.356 119.764 119.914 0.344 0.000 3.036 85 V HA 0.497 4.620 4.120 0.004 0.000 0.308 85 V C 0.360 176.657 176.094 0.339 0.000 1.070 85 V CA -0.914 61.578 62.300 0.320 0.000 1.056 85 V CB 1.133 33.104 31.823 0.247 0.000 1.084 85 V HN 0.276 nan 8.190 nan 0.000 0.471 86 D N 2.315 122.861 120.400 0.243 0.000 2.350 86 D HA 0.357 4.999 4.640 0.004 0.000 0.249 86 D C 0.495 176.908 176.300 0.189 0.000 1.119 86 D CA 0.321 54.437 54.000 0.194 0.000 0.886 86 D CB 1.670 42.514 40.800 0.073 0.000 1.195 86 D HN 0.990 nan 8.370 nan 0.000 0.437 87 T N -1.863 112.812 114.554 0.202 0.000 2.927 87 T HA 0.513 4.866 4.350 0.004 0.000 0.281 87 T C 1.277 176.036 174.700 0.098 0.000 0.998 87 T CA -0.712 61.496 62.100 0.179 0.000 1.019 87 T CB 1.795 70.813 68.868 0.250 0.000 1.061 87 T HN 0.244 nan 8.240 nan 0.000 0.518 88 A N 0.771 123.635 122.820 0.073 0.000 1.908 88 A HA 0.025 4.348 4.320 0.004 0.000 0.218 88 A C 1.846 179.379 177.584 -0.086 0.000 1.181 88 A CA 1.195 53.229 52.037 -0.004 0.000 0.627 88 A CB -1.198 17.830 19.000 0.047 0.000 0.818 88 A HN 0.844 nan 8.150 nan 0.000 0.445 89 F N 0.375 120.205 119.950 -0.201 0.000 2.234 89 F HA -0.086 4.444 4.527 0.004 0.000 0.299 89 F C 1.742 177.300 175.800 -0.403 0.000 1.087 89 F CA 1.791 59.574 58.000 -0.363 0.000 1.340 89 F CB -0.049 38.592 39.000 -0.597 0.000 1.031 89 F HN 0.350 nan 8.300 nan 0.000 0.500 90 D N -1.560 118.820 120.400 -0.033 0.000 2.333 90 D HA -0.021 4.621 4.640 0.004 0.000 0.208 90 D C 1.787 178.093 176.300 0.010 0.000 0.984 90 D CA 0.851 54.923 54.000 0.122 0.000 0.873 90 D CB 0.210 41.227 40.800 0.362 0.000 0.935 90 D HN 0.100 nan 8.370 nan 0.000 0.521 91 S N -0.805 114.778 115.700 -0.196 0.000 2.511 91 S HA 0.128 4.601 4.470 0.004 0.000 0.214 91 S C 0.568 174.814 174.600 -0.590 0.000 0.997 91 S CA -0.401 57.611 58.200 -0.314 0.000 0.908 91 S CB 0.875 63.865 63.200 -0.350 0.000 0.803 91 S HN 0.137 nan 8.310 nan 0.000 0.504 92 V N 2.794 122.304 119.914 -0.674 0.000 2.872 92 V HA 0.466 4.589 4.120 0.004 0.000 0.307 92 V C 0.598 176.563 176.094 -0.215 0.000 1.072 92 V CA -0.434 61.561 62.300 -0.508 0.000 1.148 92 V CB 0.581 32.238 31.823 -0.278 0.000 0.954 92 V HN 0.441 nan 8.190 nan 0.000 0.490 93 A N 5.551 128.358 122.820 -0.021 0.000 2.366 93 A HA 0.480 4.802 4.320 0.004 0.000 0.250 93 A C 1.132 178.745 177.584 0.050 0.000 1.099 93 A CA 0.485 52.534 52.037 0.021 0.000 0.794 93 A CB -0.088 18.955 19.000 0.072 0.000 1.056 93 A HN 1.534 nan 8.150 nan 0.000 0.499 94 L N -1.435 119.811 121.223 0.038 0.000 4.733 94 L HA -0.296 4.046 4.340 0.004 0.000 0.388 94 L C 1.949 178.781 176.870 -0.063 0.000 0.773 94 L CA 1.628 56.522 54.840 0.091 0.000 2.353 94 L CB -1.992 40.231 42.059 0.273 0.000 1.139 94 L HN 0.862 nan 8.230 nan 0.000 0.635 95 T N -1.243 113.094 114.554 -0.363 0.000 2.881 95 T HA -0.107 4.245 4.350 0.004 0.000 0.270 95 T C 1.073 175.343 174.700 -0.716 0.000 1.068 95 T CA 1.938 63.514 62.100 -0.875 0.000 1.131 95 T CB -0.172 67.755 68.868 -1.568 0.000 0.871 95 T HN 0.429 nan 8.240 nan 0.000 0.479 96 Y N 0.453 120.590 120.300 -0.271 0.000 2.584 96 Y HA 0.348 4.901 4.550 0.004 0.000 0.254 96 Y C 1.340 177.066 175.900 -0.290 0.000 1.177 96 Y CA -1.075 56.871 58.100 -0.256 0.000 1.216 96 Y CB 0.163 38.498 38.460 -0.208 0.000 1.172 96 Y HN 0.159 nan 8.280 nan 0.000 0.529 97 D N -0.701 119.544 120.400 -0.259 0.000 2.378 97 D HA -0.099 4.544 4.640 0.004 0.000 0.227 97 D C 1.922 177.840 176.300 -0.636 0.000 1.012 97 D CA 1.040 54.816 54.000 -0.374 0.000 0.905 97 D CB -0.030 40.592 40.800 -0.297 0.000 0.895 97 D HN 0.319 nan 8.370 nan 0.000 0.532 98 S N -0.769 114.541 115.700 -0.650 0.000 2.558 98 S HA 0.026 4.498 4.470 0.004 0.000 0.217 98 S C 0.745 175.201 174.600 -0.240 0.000 0.975 98 S CA -0.358 57.571 58.200 -0.451 0.000 0.912 98 S CB 0.061 63.013 63.200 -0.413 0.000 0.776 98 S HN 0.099 nan 8.310 nan 0.000 0.526 99 E N 1.552 121.624 120.200 -0.213 0.000 2.437 99 E HA 0.343 4.695 4.350 0.004 0.000 0.263 99 E C 0.070 176.629 176.600 -0.067 0.000 1.030 99 E CA 0.433 56.740 56.400 -0.155 0.000 0.934 99 E CB 0.361 29.970 29.700 -0.151 0.000 0.943 99 E HN 0.665 nan 8.360 nan 0.000 0.444 100 M N -0.592 118.986 119.600 -0.037 0.000 2.813 100 M HA 0.703 5.186 4.480 0.004 0.000 0.270 100 M C -0.110 176.188 176.300 -0.002 0.000 1.267 100 M CA -0.578 54.734 55.300 0.021 0.000 0.822 100 M CB 1.660 34.328 32.600 0.114 0.000 1.671 100 M HN 0.597 nan 8.290 nan 0.000 0.468 101 G N 0.359 109.182 108.800 0.037 0.000 2.795 101 G HA2 -0.262 3.701 3.960 0.004 0.000 0.664 101 G HA3 -0.262 3.701 3.960 0.004 0.000 0.664 101 G C -0.590 174.332 174.900 0.038 0.000 1.381 101 G CA 0.327 45.459 45.100 0.052 0.000 0.853 101 G HN 1.834 nan 8.290 nan 0.000 0.545 102 Y N -1.201 119.080 120.300 -0.031 0.000 2.583 102 Y HA 0.397 4.949 4.550 0.004 0.000 0.293 102 Y C 1.815 177.674 175.900 -0.069 0.000 1.157 102 Y CA 1.585 59.653 58.100 -0.055 0.000 1.315 102 Y CB 0.116 38.543 38.460 -0.054 0.000 1.021 102 Y HN 0.552 nan 8.280 nan 0.000 0.536 103 E N 1.102 120.955 120.200 -0.577 0.000 2.465 103 E HA 0.392 4.745 4.350 0.004 0.000 0.195 103 E C 0.598 177.015 176.600 -0.306 0.000 1.028 103 E CA 0.207 56.295 56.400 -0.521 0.000 0.899 103 E CB 0.255 29.613 29.700 -0.571 0.000 1.032 103 E HN 0.453 nan 8.360 nan 0.000 0.468 104 A N 1.720 124.400 122.820 -0.233 0.000 2.362 104 A HA -0.187 4.136 4.320 0.004 0.000 0.290 104 A C 0.343 177.795 177.584 -0.220 0.000 1.441 104 A CA 0.817 52.735 52.037 -0.199 0.000 0.743 104 A CB -2.094 16.777 19.000 -0.214 0.000 1.125 104 A HN 0.341 nan 8.150 nan 0.000 0.378 105 S N -0.876 114.697 115.700 -0.212 0.000 2.634 105 S HA 0.936 5.409 4.470 0.004 0.000 0.296 105 S C -0.299 174.148 174.600 -0.256 0.000 1.104 105 S CA 0.071 58.118 58.200 -0.255 0.000 0.920 105 S CB 2.167 65.191 63.200 -0.295 0.000 1.111 105 S HN 2.091 nan 8.310 nan 0.000 0.493 106 S N -0.090 115.404 115.700 -0.343 0.000 2.560 106 S HA 0.499 4.971 4.470 0.004 0.000 0.283 106 S C -0.794 173.562 174.600 -0.407 0.000 1.141 106 S CA -0.678 57.267 58.200 -0.424 0.000 0.902 106 S CB 0.367 63.228 63.200 -0.565 0.000 1.104 106 S HN 0.567 nan 8.310 nan 0.000 0.454 107 F N 2.699 122.566 119.950 -0.138 0.000 2.502 107 F HA 0.212 4.741 4.527 0.004 0.000 0.298 107 F C 2.381 178.166 175.800 -0.025 0.000 1.111 107 F CA 1.119 59.064 58.000 -0.092 0.000 1.445 107 F CB -0.166 38.665 39.000 -0.282 0.000 1.081 107 F HN 0.754 nan 8.300 nan 0.000 0.558 108 G N -1.184 107.536 108.800 -0.134 0.000 2.744 108 G HA2 -0.090 3.872 3.960 0.004 0.000 0.211 108 G HA3 -0.090 3.872 3.960 0.004 0.000 0.211 108 G C 0.370 175.250 174.900 -0.034 0.000 1.143 108 G CA -0.027 45.043 45.100 -0.050 0.000 0.788 108 G HN 0.088 nan 8.290 nan 0.000 0.534 109 D N 0.606 120.941 120.400 -0.108 0.000 2.360 109 D HA 0.438 5.080 4.640 0.004 0.000 0.242 109 D C 0.770 176.932 176.300 -0.229 0.000 1.184 109 D CA -0.054 53.872 54.000 -0.123 0.000 0.930 109 D CB 1.118 41.906 40.800 -0.021 0.000 1.161 109 D HN 0.185 nan 8.370 nan 0.000 0.447 110 A N 1.621 124.106 122.820 -0.559 0.000 2.540 110 A HA -0.004 4.319 4.320 0.004 0.000 0.239 110 A C 0.335 177.787 177.584 -0.219 0.000 1.061 110 A CA 0.076 51.656 52.037 -0.762 0.000 0.758 110 A CB 0.108 18.613 19.000 -0.825 0.000 0.991 110 A HN 0.331 nan 8.150 nan 0.000 0.502 111 Q N 1.830 121.521 119.800 -0.181 0.000 2.936 111 Q HA 0.230 4.573 4.340 0.004 0.000 0.383 111 Q C -0.233 175.720 176.000 -0.078 0.000 1.167 111 Q CA 0.102 55.859 55.803 -0.077 0.000 1.038 111 Q CB -0.043 28.641 28.738 -0.091 0.000 1.409 111 Q HN 0.834 nan 8.270 nan 0.000 0.448 112 S N -1.491 114.193 115.700 -0.027 0.000 2.667 112 S HA 0.695 5.168 4.470 0.004 0.000 0.292 112 S C -0.223 174.360 174.600 -0.028 0.000 1.126 112 S CA -0.797 57.388 58.200 -0.026 0.000 0.881 112 S CB 1.938 65.111 63.200 -0.045 0.000 1.132 112 S HN 0.046 nan 8.310 nan 0.000 0.492 113 S N 1.257 116.897 115.700 -0.100 0.000 2.451 113 S HA 0.854 5.326 4.470 0.004 0.000 0.301 113 S C -0.990 173.498 174.600 -0.186 0.000 1.116 113 S CA -0.667 57.390 58.200 -0.239 0.000 1.093 113 S CB -0.064 63.005 63.200 -0.218 0.000 1.017 113 S HN 0.698 nan 8.310 nan 0.000 0.482 114 F N -0.193 119.605 119.950 -0.254 0.000 2.693 114 F HA 0.706 5.236 4.527 0.004 0.000 0.309 114 F C -1.418 174.295 175.800 -0.144 0.000 1.129 114 F CA -1.777 56.036 58.000 -0.312 0.000 0.948 114 F CB 0.338 39.142 39.000 -0.327 0.000 1.315 114 F HN 0.268 nan 8.300 nan 0.000 0.447 115 F N 1.921 121.982 119.950 0.185 0.000 2.450 115 F HA 0.705 5.234 4.527 0.004 0.000 0.339 115 F C 0.671 176.634 175.800 0.273 0.000 1.146 115 F CA -0.092 58.012 58.000 0.173 0.000 1.267 115 F CB 0.937 40.063 39.000 0.211 0.000 1.178 115 F HN 0.928 nan 8.300 nan 0.000 0.585 116 A N 1.468 124.536 122.820 0.414 0.000 2.599 116 A HA 0.466 4.789 4.320 0.004 0.000 0.290 116 A C -1.752 175.984 177.584 0.253 0.000 1.101 116 A CA -0.832 51.411 52.037 0.343 0.000 0.674 116 A CB 0.066 19.239 19.000 0.288 0.000 1.277 116 A HN 0.552 nan 8.150 nan 0.000 0.419 117 Y N 2.009 122.380 120.300 0.119 0.000 2.895 117 Y HA 0.045 4.597 4.550 0.004 0.000 0.334 117 Y C 0.044 175.939 175.900 -0.010 0.000 1.261 117 Y CA 0.601 58.738 58.100 0.061 0.000 1.560 117 Y CB 0.293 38.779 38.460 0.043 0.000 1.253 117 Y HN 0.528 nan 8.280 nan 0.000 0.582 118 N N 4.924 123.274 118.700 -0.583 0.000 2.420 118 N HA 0.059 4.801 4.740 0.004 0.000 0.249 118 N C 0.434 175.552 175.510 -0.653 0.000 1.033 118 N CA -0.015 52.731 53.050 -0.505 0.000 0.944 118 N CB 1.654 39.842 38.487 -0.499 0.000 1.113 118 N HN 0.659 nan 8.380 nan 0.000 0.502 119 S N 1.668 117.152 115.700 -0.358 0.000 2.453 119 S HA 0.024 4.496 4.470 0.004 0.000 0.231 119 S C 0.573 175.079 174.600 -0.157 0.000 1.005 119 S CA 1.082 59.168 58.200 -0.190 0.000 0.949 119 S CB 0.313 63.478 63.200 -0.058 0.000 0.774 119 S HN 0.486 nan 8.310 nan 0.000 0.510 120 K N -0.210 120.071 120.400 -0.199 0.000 2.466 120 K HA 0.351 4.674 4.320 0.004 0.000 0.260 120 K C -0.988 175.516 176.600 -0.161 0.000 1.011 120 K CA -0.960 55.236 56.287 -0.151 0.000 0.871 120 K CB 1.212 33.556 32.500 -0.260 0.000 1.404 120 K HN 0.176 nan 8.250 nan 0.000 0.450 121 Y N -0.653 119.599 120.300 -0.080 0.000 2.335 121 Y HA 0.243 4.795 4.550 0.004 0.000 0.348 121 Y C -0.142 175.712 175.900 -0.076 0.000 1.280 121 Y CA -0.302 57.755 58.100 -0.071 0.000 1.504 121 Y CB 0.411 38.856 38.460 -0.026 0.000 1.366 121 Y HN 0.361 nan 8.280 nan 0.000 0.621 122 D N 0.966 121.383 120.400 0.028 0.000 2.505 122 D HA 0.365 5.007 4.640 0.004 0.000 0.250 122 D C 0.247 176.622 176.300 0.126 0.000 1.164 122 D CA -0.289 53.666 54.000 -0.075 0.000 0.870 122 D CB 1.668 42.404 40.800 -0.106 0.000 1.160 122 D HN 0.844 nan 8.370 nan 0.000 0.549 123 A N 2.728 125.651 122.820 0.171 0.000 2.067 123 A HA -0.110 4.212 4.320 0.004 0.000 0.219 123 A C 1.986 179.638 177.584 0.114 0.000 1.158 123 A CA 1.627 53.811 52.037 0.245 0.000 0.661 123 A CB -0.350 18.833 19.000 0.305 0.000 0.801 123 A HN 0.586 nan 8.150 nan 0.000 0.452 124 S N -1.637 114.096 115.700 0.054 0.000 2.447 124 S HA 0.247 4.719 4.470 0.004 0.000 0.233 124 S C 1.643 176.263 174.600 0.033 0.000 1.006 124 S CA 1.403 59.622 58.200 0.032 0.000 0.957 124 S CB -0.503 62.700 63.200 0.005 0.000 0.773 124 S HN 1.898 nan 8.310 nan 0.000 0.507 125 G N 0.439 109.261 108.800 0.037 0.000 2.175 125 G HA2 -0.194 3.768 3.960 0.004 0.000 0.244 125 G HA3 -0.194 3.768 3.960 0.004 0.000 0.244 125 G C 0.984 175.897 174.900 0.023 0.000 0.982 125 G CA 0.308 45.428 45.100 0.032 0.000 0.641 125 G HN 1.243 nan 8.290 nan 0.000 0.527 126 A N -0.100 122.727 122.820 0.013 0.000 1.969 126 A HA 0.377 4.699 4.320 0.004 0.000 0.218 126 A C 2.125 179.715 177.584 0.010 0.000 1.169 126 A CA 1.676 53.723 52.037 0.017 0.000 0.635 126 A CB -0.232 18.776 19.000 0.014 0.000 0.810 126 A HN 0.861 nan 8.150 nan 0.000 0.445 127 L N -0.452 120.748 121.223 -0.037 0.000 2.611 127 L HA 0.051 4.394 4.340 0.004 0.000 0.229 127 L C 0.872 177.742 176.870 0.001 0.000 1.137 127 L CA -0.120 54.670 54.840 -0.082 0.000 0.901 127 L CB -0.198 41.711 42.059 -0.249 0.000 1.098 127 L HN 0.175 nan 8.230 nan 0.000 0.456 128 D N 0.703 121.119 120.400 0.026 0.000 2.144 128 D HA -0.139 4.504 4.640 0.004 0.000 0.199 128 D C 1.228 177.564 176.300 0.061 0.000 0.984 128 D CA 1.257 55.280 54.000 0.039 0.000 0.834 128 D CB 0.049 40.870 40.800 0.035 0.000 0.955 128 D HN 0.225 nan 8.370 nan 0.000 0.465 129 N N -0.441 118.304 118.700 0.075 0.000 2.338 129 N HA -0.027 4.715 4.740 0.004 0.000 0.251 129 N C -0.584 174.986 175.510 0.100 0.000 1.199 129 N CA -0.312 52.785 53.050 0.077 0.000 0.879 129 N CB 0.567 39.086 38.487 0.053 0.000 1.159 129 N HN 0.185 nan 8.380 nan 0.000 0.514 130 Y N 2.055 122.324 120.300 -0.051 0.000 2.377 130 Y HA 0.275 4.827 4.550 0.004 0.000 0.330 130 Y C -0.396 175.466 175.900 -0.064 0.000 1.108 130 Y CA -0.280 57.756 58.100 -0.106 0.000 1.308 130 Y CB 0.266 38.619 38.460 -0.179 0.000 1.216 130 Y HN -0.014 nan 8.280 nan 0.000 0.518 131 N N 3.506 122.082 118.700 -0.206 0.000 2.369 131 N HA 0.615 5.358 4.740 0.004 0.000 0.287 131 N C -1.097 174.281 175.510 -0.220 0.000 1.067 131 N CA -0.260 52.743 53.050 -0.078 0.000 0.888 131 N CB 1.717 40.220 38.487 0.027 0.000 1.616 131 N HN 0.917 nan 8.380 nan 0.000 0.482 132 G N 1.503 110.257 108.800 -0.078 0.000 2.600 132 G HA2 0.717 4.680 3.960 0.004 0.000 0.303 132 G HA3 0.717 4.680 3.960 0.004 0.000 0.303 132 G C -1.360 173.633 174.900 0.153 0.000 1.253 132 G CA -0.404 44.676 45.100 -0.032 0.000 0.974 132 G HN 0.444 nan 8.290 nan 0.000 0.483 133 I N 0.547 121.254 120.570 0.229 0.000 2.499 133 I HA 0.629 4.802 4.170 0.004 0.000 0.288 133 I C -0.038 176.224 176.117 0.242 0.000 1.048 133 I CA -1.001 60.446 61.300 0.246 0.000 1.062 133 I CB 1.125 39.275 38.000 0.250 0.000 1.238 133 I HN 0.672 nan 8.210 nan 0.000 0.426 134 A N 6.042 128.991 122.820 0.215 0.000 2.435 134 A HA 0.911 5.233 4.320 0.004 0.000 0.304 134 A C -1.228 176.465 177.584 0.181 0.000 1.064 134 A CA -0.558 51.599 52.037 0.200 0.000 0.727 134 A CB 2.066 21.182 19.000 0.193 0.000 1.284 134 A HN 0.371 nan 8.150 nan 0.000 0.415 135 V N 1.638 121.654 119.914 0.170 0.000 2.577 135 V HA 0.699 4.821 4.120 0.004 0.000 0.303 135 V C 0.026 176.198 176.094 0.130 0.000 1.042 135 V CA -0.141 62.244 62.300 0.142 0.000 0.872 135 V CB 1.808 33.709 31.823 0.129 0.000 0.998 135 V HN 1.185 nan 8.190 nan 0.000 0.423 136 T N 1.396 116.010 114.554 0.101 0.000 2.887 136 T HA 0.772 5.124 4.350 0.004 0.000 0.288 136 T C -1.341 173.417 174.700 0.097 0.000 1.021 136 T CA -0.751 61.368 62.100 0.032 0.000 1.000 136 T CB 2.150 71.011 68.868 -0.012 0.000 1.034 136 T HN 0.607 nan 8.240 nan 0.000 0.467 137 Y N 1.196 121.405 120.300 -0.151 0.000 2.361 137 Y HA 0.578 5.131 4.550 0.005 0.000 0.328 137 Y C -1.249 174.559 175.900 -0.154 0.000 1.044 137 Y CA -1.412 56.623 58.100 -0.109 0.000 1.085 137 Y CB 2.098 40.523 38.460 -0.059 0.000 1.194 137 Y HN 0.828 nan 8.280 nan 0.000 0.438 138 S N 7.740 123.225 115.700 -0.359 0.000 2.601 138 S HA 0.308 4.781 4.470 0.004 0.000 0.312 138 S C 1.305 175.593 174.600 -0.522 0.000 1.107 138 S CA -0.647 57.315 58.200 -0.396 0.000 1.129 138 S CB 0.038 63.114 63.200 -0.207 0.000 0.982 138 S HN 0.768 nan 8.310 nan 0.000 0.469 139 I N 0.764 120.958 120.570 -0.627 0.000 2.087 139 I HA 0.147 4.320 4.170 0.004 0.000 0.231 139 I C 0.738 176.728 176.117 -0.212 0.000 1.058 139 I CA 0.780 61.804 61.300 -0.459 0.000 1.328 139 I CB -0.181 37.611 38.000 -0.347 0.000 1.079 139 I HN 0.561 nan 8.210 nan 0.000 0.397 140 S N -0.385 115.232 115.700 -0.138 0.000 2.288 140 S HA 0.472 4.944 4.470 0.004 0.000 0.258 140 S C -0.022 174.544 174.600 -0.056 0.000 0.919 140 S CA 0.070 58.218 58.200 -0.086 0.000 1.010 140 S CB 0.391 63.558 63.200 -0.055 0.000 1.231 140 S HN 1.512 nan 8.310 nan 0.000 0.403 141 G N 2.451 111.195 108.800 -0.094 0.000 2.358 141 G HA2 -0.241 3.721 3.960 0.004 0.000 0.224 141 G HA3 -0.241 3.721 3.960 0.004 0.000 0.224 141 G C -0.017 174.829 174.900 -0.089 0.000 1.073 141 G CA 0.128 45.141 45.100 -0.145 0.000 0.635 141 G HN 1.614 nan 8.290 nan 0.000 0.509 142 V N 2.404 122.321 119.914 0.005 0.000 2.481 142 V HA 0.617 4.739 4.120 0.004 0.000 0.286 142 V C -0.294 175.735 176.094 -0.108 0.000 1.042 142 V CA -0.887 61.435 62.300 0.038 0.000 0.928 142 V CB 1.626 33.483 31.823 0.057 0.000 0.986 142 V HN 0.410 nan 8.190 nan 0.000 0.462 143 N N 4.252 122.897 118.700 -0.092 0.000 2.296 143 N HA 0.521 5.263 4.740 0.004 0.000 0.294 143 N C -1.577 173.749 175.510 -0.308 0.000 1.033 143 N CA -0.577 52.307 53.050 -0.276 0.000 0.839 143 N CB 2.631 40.950 38.487 -0.280 0.000 1.395 143 N HN 0.355 nan 8.380 nan 0.000 0.479 144 L N 2.765 123.750 121.223 -0.397 0.000 2.329 144 L HA 0.529 4.871 4.340 0.004 0.000 0.279 144 L C -1.103 175.546 176.870 -0.368 0.000 1.014 144 L CA -0.511 54.208 54.840 -0.201 0.000 0.814 144 L CB 0.804 42.867 42.059 0.006 0.000 1.257 144 L HN 0.490 nan 8.230 nan 0.000 0.424 145 Y N 3.689 124.037 120.300 0.080 0.000 2.406 145 Y HA 0.632 5.185 4.550 0.004 0.000 0.340 145 Y C -0.411 175.523 175.900 0.056 0.000 0.975 145 Y CA -0.781 57.360 58.100 0.069 0.000 1.056 145 Y CB 1.897 40.386 38.460 0.050 0.000 1.210 145 Y HN 0.315 nan 8.280 nan 0.000 0.448 146 L N 3.207 124.550 121.223 0.200 0.000 2.386 146 L HA 0.843 5.185 4.340 0.004 0.000 0.271 146 L C -0.644 176.292 176.870 0.110 0.000 0.993 146 L CA -0.430 54.476 54.840 0.111 0.000 0.819 146 L CB 2.380 44.538 42.059 0.164 0.000 1.294 146 L HN 0.774 nan 8.230 nan 0.000 0.414 147 S N 1.282 116.984 115.700 0.004 0.000 2.541 147 S HA 0.676 5.149 4.470 0.004 0.000 0.271 147 S C -1.505 173.208 174.600 0.189 0.000 1.133 147 S CA -0.778 57.493 58.200 0.118 0.000 0.876 147 S CB 1.786 65.056 63.200 0.116 0.000 1.105 147 S HN 0.496 nan 8.310 nan 0.000 0.470 148 Y N 1.588 121.980 120.300 0.154 0.000 2.346 148 Y HA 0.677 5.230 4.550 0.004 0.000 0.332 148 Y C -1.857 174.101 175.900 0.096 0.000 0.985 148 Y CA -0.779 57.449 58.100 0.212 0.000 1.112 148 Y CB 1.545 40.163 38.460 0.263 0.000 1.170 148 Y HN 0.720 nan 8.280 nan 0.000 0.447 149 V N 6.000 125.610 119.914 -0.507 0.000 2.483 149 V HA 0.299 4.421 4.120 0.004 0.000 0.297 149 V C -1.153 174.509 176.094 -0.719 0.000 1.027 149 V CA -0.752 61.215 62.300 -0.556 0.000 0.855 149 V CB 1.668 33.270 31.823 -0.368 0.000 0.995 149 V HN 0.756 nan 8.190 nan 0.000 0.424 150 D N 7.047 127.043 120.400 -0.673 0.000 2.392 150 D HA 0.407 5.049 4.640 0.004 0.000 0.228 150 D C -1.604 174.450 176.300 -0.410 0.000 1.074 150 D CA -2.169 51.579 54.000 -0.419 0.000 0.838 150 D CB 2.672 43.351 40.800 -0.201 0.000 1.067 150 D HN 0.212 nan 8.370 nan 0.000 0.511 151 P HA 0.006 nan 4.420 nan 0.000 0.226 151 P C -0.123 177.164 177.300 -0.021 0.000 1.153 151 P CA 0.756 63.758 63.100 -0.163 0.000 0.777 151 P CB 0.522 32.255 31.700 0.056 0.000 0.794 152 D N -0.281 120.106 120.400 -0.022 0.000 2.411 152 D HA 0.027 4.669 4.640 0.004 0.000 0.239 152 D C 1.007 177.315 176.300 0.013 0.000 1.307 152 D CA -0.160 53.850 54.000 0.017 0.000 0.930 152 D CB 0.526 41.347 40.800 0.035 0.000 1.395 152 D HN -0.000 nan 8.370 nan 0.000 0.536 153 Q N 0.615 120.422 119.800 0.011 0.000 2.437 153 Q HA -0.103 4.240 4.340 0.004 0.000 0.210 153 Q C 1.105 177.127 176.000 0.036 0.000 0.972 153 Q CA 1.644 57.464 55.803 0.028 0.000 0.903 153 Q CB -0.176 28.583 28.738 0.036 0.000 0.967 153 Q HN 0.302 nan 8.270 nan 0.000 0.486 154 T N -2.530 112.044 114.554 0.033 0.000 3.043 154 T HA 0.153 4.506 4.350 0.004 0.000 0.263 154 T C 0.774 175.491 174.700 0.029 0.000 1.094 154 T CA 0.032 62.150 62.100 0.031 0.000 1.127 154 T CB -0.030 68.856 68.868 0.029 0.000 0.905 154 T HN 0.072 nan 8.240 nan 0.000 0.490 155 V N 2.666 122.598 119.914 0.031 0.000 2.686 155 V HA 0.223 4.345 4.120 0.004 0.000 0.295 155 V C 0.563 176.676 176.094 0.032 0.000 1.057 155 V CA -1.214 61.104 62.300 0.029 0.000 1.012 155 V CB 1.381 33.221 31.823 0.030 0.000 1.006 155 V HN 0.477 nan 8.190 nan 0.000 0.477 156 D N 2.387 122.805 120.400 0.029 0.000 2.583 156 D HA -0.071 4.572 4.640 0.004 0.000 0.232 156 D C 1.226 177.549 176.300 0.039 0.000 1.128 156 D CA 0.456 54.474 54.000 0.031 0.000 0.859 156 D CB 1.057 41.872 40.800 0.026 0.000 1.169 156 D HN 0.626 nan 8.370 nan 0.000 0.481 157 S N 2.223 117.951 115.700 0.047 0.000 2.402 157 S HA -0.223 4.250 4.470 0.004 0.000 0.233 157 S C 1.977 176.610 174.600 0.055 0.000 1.030 157 S CA 1.407 59.644 58.200 0.062 0.000 1.003 157 S CB -0.186 63.059 63.200 0.076 0.000 0.813 157 S HN 0.691 nan 8.310 nan 0.000 0.477 158 S N 1.280 117.005 115.700 0.042 0.000 2.515 158 S HA 0.126 4.599 4.470 0.004 0.000 0.231 158 S C 1.446 176.066 174.600 0.035 0.000 0.987 158 S CA 0.414 58.636 58.200 0.037 0.000 0.936 158 S CB -0.478 62.739 63.200 0.029 0.000 0.766 158 S HN 0.472 nan 8.310 nan 0.000 0.528 159 L N 1.334 122.577 121.223 0.034 0.000 2.567 159 L HA 0.411 4.754 4.340 0.004 0.000 0.225 159 L C 0.609 177.500 176.870 0.035 0.000 1.119 159 L CA -0.130 54.728 54.840 0.031 0.000 0.871 159 L CB 0.699 42.775 42.059 0.028 0.000 1.036 159 L HN 0.383 nan 8.230 nan 0.000 0.459 160 V N -2.321 117.618 119.914 0.041 0.000 2.823 160 V HA 0.485 4.607 4.120 0.004 0.000 0.312 160 V C -0.209 175.914 176.094 0.049 0.000 1.072 160 V CA -0.304 62.022 62.300 0.044 0.000 0.937 160 V CB 2.175 34.023 31.823 0.041 0.000 1.013 160 V HN -0.043 nan 8.190 nan 0.000 0.430 161 T N 5.111 119.696 114.554 0.052 0.000 2.743 161 T HA 0.491 4.844 4.350 0.004 0.000 0.293 161 T C -0.420 174.316 174.700 0.060 0.000 0.945 161 T CA 0.036 62.168 62.100 0.054 0.000 1.030 161 T CB 0.645 69.538 68.868 0.042 0.000 0.912 161 T HN 0.876 nan 8.240 nan 0.000 0.483 162 E N 1.920 122.151 120.200 0.052 0.000 2.248 162 E HA 0.355 4.707 4.350 0.004 0.000 0.272 162 E C -0.126 176.499 176.600 0.041 0.000 1.008 162 E CA -0.678 55.715 56.400 -0.012 0.000 0.856 162 E CB 1.267 30.935 29.700 -0.054 0.000 1.120 162 E HN 0.561 nan 8.360 nan 0.000 0.397 163 E N 2.290 122.504 120.200 0.024 0.000 2.175 163 E HA 0.305 4.657 4.350 0.004 0.000 0.278 163 E C -1.477 175.226 176.600 0.172 0.000 0.969 163 E CA -0.574 55.885 56.400 0.099 0.000 0.796 163 E CB 0.704 30.507 29.700 0.171 0.000 1.104 163 E HN 0.343 nan 8.360 nan 0.000 0.395 164 F N 3.129 123.121 119.950 0.070 0.000 2.507 164 F HA 0.688 5.217 4.527 0.004 0.000 0.325 164 F C -0.471 175.397 175.800 0.114 0.000 1.116 164 F CA -0.359 57.730 58.000 0.149 0.000 0.930 164 F CB 1.912 41.031 39.000 0.198 0.000 1.146 164 F HN 0.452 nan 8.300 nan 0.000 0.447 165 G N 5.803 114.134 108.800 -0.782 0.000 2.612 165 G HA2 0.705 4.667 3.960 0.004 0.000 0.298 165 G HA3 0.705 4.667 3.960 0.004 0.000 0.298 165 G C -1.918 172.642 174.900 -0.567 0.000 1.336 165 G CA -0.888 43.923 45.100 -0.482 0.000 0.953 165 G HN 0.746 nan 8.290 nan 0.000 0.482 166 I N -0.395 120.064 120.570 -0.184 0.000 2.802 166 I HA 0.872 5.045 4.170 0.004 0.000 0.298 166 I C -0.055 176.141 176.117 0.132 0.000 1.176 166 I CA -1.145 60.150 61.300 -0.009 0.000 1.025 166 I CB 2.420 40.484 38.000 0.107 0.000 1.243 166 I HN 0.828 nan 8.210 nan 0.000 0.424 167 A N 2.957 125.894 122.820 0.194 0.000 2.612 167 A HA 1.007 5.330 4.320 0.004 0.000 0.293 167 A C -1.655 176.129 177.584 0.333 0.000 1.075 167 A CA -0.316 51.861 52.037 0.233 0.000 0.680 167 A CB 1.814 20.897 19.000 0.138 0.000 1.279 167 A HN 1.411 nan 8.150 nan 0.000 0.411 168 A N 0.720 123.705 122.820 0.276 0.000 2.594 168 A HA 0.856 5.178 4.320 0.004 0.000 0.295 168 A C -1.634 176.094 177.584 0.239 0.000 1.071 168 A CA 0.083 52.272 52.037 0.254 0.000 0.685 168 A CB 1.513 20.601 19.000 0.146 0.000 1.285 168 A HN 1.579 nan 8.150 nan 0.000 0.405 169 D N -0.971 119.577 120.400 0.246 0.000 2.661 169 D HA 0.626 5.268 4.640 0.004 0.000 0.228 169 D C -0.998 175.440 176.300 0.230 0.000 1.183 169 D CA -0.243 53.886 54.000 0.216 0.000 0.844 169 D CB 1.123 42.045 40.800 0.203 0.000 1.555 169 D HN 0.803 nan 8.370 nan 0.000 0.453 170 W N 1.245 122.559 121.300 0.023 0.000 3.256 170 W HA 0.658 5.320 4.660 0.003 0.000 0.324 170 W C -1.851 174.673 176.519 0.008 0.000 1.196 170 W CA -0.552 56.794 57.345 0.001 0.000 1.206 170 W CB 2.150 31.605 29.460 -0.010 0.000 1.385 170 W HN 0.520 nan 8.180 nan 0.000 0.522 171 S N 3.953 118.956 115.700 -1.162 0.000 2.541 171 S HA 0.559 5.031 4.470 0.004 0.000 0.271 171 S C -0.734 173.086 174.600 -1.301 0.000 1.133 171 S CA -0.611 56.925 58.200 -1.107 0.000 0.876 171 S CB 0.830 63.753 63.200 -0.463 0.000 1.105 171 S HN 0.700 nan 8.310 nan 0.000 0.470 172 N N 2.200 120.308 118.700 -0.988 0.000 3.223 172 N HA 0.453 5.196 4.740 0.004 0.000 0.350 172 N C 0.045 175.385 175.510 -0.282 0.000 1.425 172 N CA -0.294 52.461 53.050 -0.492 0.000 0.668 172 N CB -0.590 37.744 38.487 -0.255 0.000 1.435 172 N HN 0.461 nan 8.380 nan 0.000 0.569 173 D N -1.162 119.142 120.400 -0.160 0.000 2.213 173 D HA 0.104 4.747 4.640 0.004 0.000 0.205 173 D C 1.363 177.584 176.300 -0.132 0.000 0.961 173 D CA 1.316 55.237 54.000 -0.131 0.000 0.853 173 D CB 0.127 40.873 40.800 -0.090 0.000 0.967 173 D HN 0.477 nan 8.370 nan 0.000 0.496 174 M N -0.744 118.797 119.600 -0.097 0.000 2.638 174 M HA 0.282 4.765 4.480 0.004 0.000 0.256 174 M C 0.242 176.528 176.300 -0.023 0.000 1.282 174 M CA 0.343 55.579 55.300 -0.107 0.000 1.155 174 M CB 0.773 33.346 32.600 -0.045 0.000 1.345 174 M HN -0.196 nan 8.290 nan 0.000 0.523 175 I N 1.129 121.731 120.570 0.053 0.000 2.562 175 I HA 0.397 4.569 4.170 0.004 0.000 0.301 175 I C -0.561 175.554 176.117 -0.003 0.000 1.003 175 I CA -0.528 60.862 61.300 0.150 0.000 1.127 175 I CB 2.131 40.311 38.000 0.299 0.000 1.304 175 I HN -0.002 nan 8.210 nan 0.000 0.446 176 S N 5.673 121.418 115.700 0.075 0.000 2.547 176 S HA 0.752 5.224 4.470 0.004 0.000 0.281 176 S C -0.772 173.925 174.600 0.161 0.000 1.118 176 S CA -0.714 57.512 58.200 0.043 0.000 0.947 176 S CB 1.805 65.008 63.200 0.005 0.000 1.053 176 S HN 0.345 nan 8.310 nan 0.000 0.482 177 L N 1.689 123.049 121.223 0.228 0.000 2.370 177 L HA 0.983 5.326 4.340 0.004 0.000 0.266 177 L C -0.371 176.567 176.870 0.113 0.000 1.002 177 L CA -0.749 54.192 54.840 0.169 0.000 0.818 177 L CB 2.017 44.205 42.059 0.215 0.000 1.325 177 L HN 0.830 nan 8.230 nan 0.000 0.418 178 A N 1.773 124.578 122.820 -0.024 0.000 2.594 178 A HA 0.970 5.293 4.320 0.004 0.000 0.295 178 A C -1.607 175.782 177.584 -0.324 0.000 1.071 178 A CA -0.224 51.780 52.037 -0.056 0.000 0.685 178 A CB 2.013 21.061 19.000 0.080 0.000 1.285 178 A HN 0.863 nan 8.150 nan 0.000 0.405 179 A N -0.032 122.684 122.820 -0.172 0.000 2.574 179 A HA 1.018 5.340 4.320 0.004 0.000 0.297 179 A C -0.536 177.087 177.584 0.065 0.000 1.062 179 A CA 0.094 52.017 52.037 -0.189 0.000 0.686 179 A CB 1.289 20.243 19.000 -0.076 0.000 1.285 179 A HN 2.665 nan 8.150 nan 0.000 0.403 180 A N 0.428 123.356 122.820 0.180 0.000 2.572 180 A HA 0.817 5.139 4.320 0.004 0.000 0.295 180 A C -1.819 176.020 177.584 0.425 0.000 1.072 180 A CA -0.423 51.781 52.037 0.278 0.000 0.691 180 A CB 1.323 20.438 19.000 0.192 0.000 1.291 180 A HN 1.932 nan 8.150 nan 0.000 0.404 181 Y N 0.347 120.787 120.300 0.234 0.000 2.433 181 Y HA 0.652 5.204 4.550 0.004 0.000 0.337 181 Y C -0.764 175.206 175.900 0.115 0.000 1.026 181 Y CA -0.156 58.061 58.100 0.194 0.000 1.037 181 Y CB 2.332 40.884 38.460 0.153 0.000 1.245 181 Y HN 0.670 nan 8.280 nan 0.000 0.443 182 T N 4.170 118.333 114.554 -0.651 0.000 2.928 182 T HA 0.409 4.762 4.350 0.004 0.000 0.296 182 T C -0.784 173.561 174.700 -0.592 0.000 1.000 182 T CA -0.777 61.031 62.100 -0.486 0.000 0.989 182 T CB 1.112 69.739 68.868 -0.402 0.000 1.005 182 T HN 0.661 nan 8.240 nan 0.000 0.442 183 T N 0.089 114.483 114.554 -0.267 0.000 2.829 183 T HA 0.496 4.848 4.350 0.004 0.000 0.282 183 T C -0.293 174.378 174.700 -0.049 0.000 0.990 183 T CA -0.700 61.330 62.100 -0.116 0.000 1.028 183 T CB 0.656 69.598 68.868 0.123 0.000 0.951 183 T HN 0.579 nan 8.240 nan 0.000 0.460 184 D N 0.061 120.421 120.400 -0.068 0.000 2.723 184 D HA -0.141 4.501 4.640 0.004 0.000 0.236 184 D C 0.508 176.725 176.300 -0.138 0.000 1.138 184 D CA 0.976 54.937 54.000 -0.065 0.000 0.676 184 D CB -1.680 39.119 40.800 -0.001 0.000 1.069 184 D HN 1.158 nan 8.370 nan 0.000 0.430 185 A N -0.259 122.439 122.820 -0.205 0.000 2.567 185 A HA 0.429 4.752 4.320 0.004 0.000 0.240 185 A C 1.828 179.173 177.584 -0.397 0.000 1.053 185 A CA 1.236 53.105 52.037 -0.280 0.000 0.755 185 A CB 0.149 18.962 19.000 -0.312 0.000 0.978 185 A HN 1.298 nan 8.150 nan 0.000 0.507 186 G N 1.257 109.604 108.800 -0.755 0.000 2.155 186 G HA2 0.140 4.103 3.960 0.004 0.000 0.257 186 G HA3 0.140 4.103 3.960 0.004 0.000 0.257 186 G C 1.639 175.973 174.900 -0.944 0.000 0.983 186 G CA 0.973 45.341 45.100 -1.221 0.000 0.676 186 G HN 2.868 nan 8.290 nan 0.000 0.528 187 G N -1.216 107.272 108.800 -0.521 0.000 2.160 187 G HA2 -0.228 3.735 3.960 0.004 0.000 0.251 187 G HA3 -0.228 3.735 3.960 0.004 0.000 0.251 187 G C 0.219 175.076 174.900 -0.072 0.000 1.008 187 G CA 0.513 45.569 45.100 -0.073 0.000 0.724 187 G HN 1.410 nan 8.290 nan 0.000 0.514 188 I N 0.996 121.488 120.570 -0.131 0.000 2.330 188 I HA 0.312 4.484 4.170 0.004 0.000 0.289 188 I C 0.941 177.022 176.117 -0.061 0.000 1.001 188 I CA -1.205 60.043 61.300 -0.086 0.000 1.193 188 I CB 1.746 39.678 38.000 -0.114 0.000 1.345 188 I HN -0.103 nan 8.210 nan 0.000 0.461 189 V N 6.640 126.536 119.914 -0.029 0.000 2.617 189 V HA -0.082 4.041 4.120 0.004 0.000 0.304 189 V C 0.710 176.794 176.094 -0.018 0.000 1.040 189 V CA 0.727 63.020 62.300 -0.012 0.000 1.149 189 V CB 0.056 31.880 31.823 0.002 0.000 0.914 189 V HN 0.925 nan 8.190 nan 0.000 0.487 190 D N 2.027 122.421 120.400 -0.010 0.000 3.077 190 D HA -0.177 4.465 4.640 0.004 0.000 0.212 190 D C 0.475 176.758 176.300 -0.027 0.000 1.125 190 D CA 1.238 55.236 54.000 -0.004 0.000 0.970 190 D CB -1.038 39.764 40.800 0.005 0.000 1.110 190 D HN 0.779 nan 8.370 nan 0.000 0.419 191 N N 1.808 120.472 118.700 -0.061 0.000 2.807 191 N HA 0.093 4.836 4.740 0.004 0.000 0.259 191 N C -1.371 174.058 175.510 -0.134 0.000 1.149 191 N CA 0.051 53.043 53.050 -0.096 0.000 1.042 191 N CB 0.227 38.639 38.487 -0.125 0.000 1.367 191 N HN -0.062 nan 8.380 nan 0.000 0.516 192 D N 2.817 123.155 120.400 -0.103 0.000 2.329 192 D HA 0.271 4.914 4.640 0.004 0.000 0.232 192 D C 0.471 176.665 176.300 -0.176 0.000 1.088 192 D CA -0.204 53.699 54.000 -0.161 0.000 0.835 192 D CB 1.066 41.860 40.800 -0.010 0.000 1.078 192 D HN 0.514 nan 8.370 nan 0.000 0.495 193 I N -1.589 118.773 120.570 -0.346 0.000 2.846 193 I HA 0.918 5.090 4.170 0.004 0.000 0.307 193 I C -0.870 175.180 176.117 -0.112 0.000 1.053 193 I CA -1.147 59.995 61.300 -0.263 0.000 1.050 193 I CB 2.322 40.023 38.000 -0.498 0.000 1.239 193 I HN 0.296 nan 8.210 nan 0.000 0.439 194 A N 3.341 126.262 122.820 0.169 0.000 2.572 194 A HA 0.843 5.165 4.320 0.004 0.000 0.295 194 A C -1.792 176.077 177.584 0.475 0.000 1.072 194 A CA -0.420 51.875 52.037 0.431 0.000 0.691 194 A CB 1.830 21.144 19.000 0.523 0.000 1.291 194 A HN 0.823 nan 8.150 nan 0.000 0.404 195 F N 1.225 121.338 119.950 0.271 0.000 2.581 195 F HA 0.725 5.254 4.527 0.004 0.000 0.311 195 F C -1.714 174.133 175.800 0.079 0.000 1.113 195 F CA -0.980 57.025 58.000 0.009 0.000 0.935 195 F CB 2.004 40.879 39.000 -0.209 0.000 1.232 195 F HN 0.460 nan 8.300 nan 0.000 0.445 196 V N 4.681 124.328 119.914 -0.445 0.000 2.623 196 V HA 0.884 5.007 4.120 0.004 0.000 0.304 196 V C -0.178 175.463 176.094 -0.755 0.000 1.054 196 V CA -0.348 61.593 62.300 -0.598 0.000 0.882 196 V CB 1.377 33.139 31.823 -0.101 0.000 1.002 196 V HN 1.166 nan 8.190 nan 0.000 0.424 197 G N 2.425 110.713 108.800 -0.854 0.000 2.619 197 G HA2 0.930 4.893 3.960 0.004 0.000 0.296 197 G HA3 0.930 4.893 3.960 0.004 0.000 0.296 197 G C -1.250 173.595 174.900 -0.091 0.000 1.334 197 G CA -0.236 44.689 45.100 -0.292 0.000 0.934 197 G HN 1.224 nan 8.290 nan 0.000 0.476 198 A N -0.757 122.089 122.820 0.042 0.000 2.549 198 A HA 1.017 5.340 4.320 0.004 0.000 0.297 198 A C -0.564 177.085 177.584 0.109 0.000 1.061 198 A CA -0.027 52.053 52.037 0.071 0.000 0.690 198 A CB 1.679 20.702 19.000 0.040 0.000 1.287 198 A HN 2.353 nan 8.150 nan 0.000 0.402 199 A N 0.313 123.210 122.820 0.130 0.000 2.515 199 A HA 0.745 5.068 4.320 0.004 0.000 0.298 199 A C -1.927 175.776 177.584 0.198 0.000 1.059 199 A CA -0.402 51.714 52.037 0.131 0.000 0.698 199 A CB 1.291 20.381 19.000 0.150 0.000 1.289 199 A HN 1.773 nan 8.150 nan 0.000 0.404 200 Y N 1.215 121.543 120.300 0.048 0.000 2.338 200 Y HA 0.606 5.158 4.550 0.002 0.000 0.333 200 Y C -0.182 175.787 175.900 0.116 0.000 0.968 200 Y CA -1.161 56.985 58.100 0.077 0.000 1.123 200 Y CB 1.814 40.324 38.460 0.083 0.000 1.165 200 Y HN 0.560 nan 8.280 nan 0.000 0.452 201 K N 7.078 127.234 120.400 -0.407 0.000 2.150 201 K HA 0.170 4.493 4.320 0.004 0.000 0.261 201 K C -0.507 175.709 176.600 -0.640 0.000 1.127 201 K CA -0.391 55.656 56.287 -0.400 0.000 0.989 201 K CB -1.144 31.181 32.500 -0.292 0.000 1.475 201 K HN 0.560 nan 8.250 nan 0.000 0.391 202 F N 1.840 121.479 119.950 -0.518 0.000 2.740 202 F HA 0.412 4.941 4.527 0.002 0.000 0.294 202 F C -0.043 175.669 175.800 -0.148 0.000 1.225 202 F CA -0.638 57.143 58.000 -0.365 0.000 1.426 202 F CB -0.272 38.739 39.000 0.019 0.000 1.021 202 F HN 0.344 nan 8.300 nan 0.000 0.508 203 N N 0.242 118.698 118.700 -0.406 0.000 4.387 203 N HA -0.087 4.656 4.740 0.004 0.000 0.221 203 N C -0.647 174.661 175.510 -0.337 0.000 1.261 203 N CA 0.176 53.036 53.050 -0.317 0.000 0.772 203 N CB 0.224 38.473 38.487 -0.397 0.000 1.524 203 N HN 0.091 nan 8.380 nan 0.000 0.440 204 D N 0.243 120.485 120.400 -0.263 0.000 2.269 204 D HA 0.166 4.809 4.640 0.004 0.000 0.208 204 D C 1.367 177.470 176.300 -0.328 0.000 0.963 204 D CA 1.223 55.073 54.000 -0.249 0.000 0.864 204 D CB 0.218 40.910 40.800 -0.181 0.000 0.936 204 D HN 0.502 nan 8.370 nan 0.000 0.505 205 A N 0.212 122.761 122.820 -0.452 0.000 2.140 205 A HA 0.508 4.830 4.320 0.004 0.000 0.209 205 A C 1.252 178.333 177.584 -0.838 0.000 1.181 205 A CA 0.499 52.142 52.037 -0.656 0.000 0.824 205 A CB 0.283 18.771 19.000 -0.854 0.000 0.879 205 A HN 0.239 nan 8.150 nan 0.000 0.480 206 G N -1.419 106.892 108.800 -0.816 0.000 2.533 206 G HA2 0.514 4.476 3.960 0.004 0.000 0.304 206 G HA3 0.514 4.476 3.960 0.004 0.000 0.304 206 G C -0.863 173.639 174.900 -0.663 0.000 1.263 206 G CA 0.195 44.854 45.100 -0.735 0.000 0.964 206 G HN 0.497 nan 8.290 nan 0.000 0.479 207 T N -1.426 113.044 114.554 -0.139 0.000 2.956 207 T HA 0.627 4.979 4.350 0.004 0.000 0.312 207 T C -0.819 174.032 174.700 0.251 0.000 1.151 207 T CA -0.299 61.844 62.100 0.071 0.000 1.024 207 T CB 1.404 70.276 68.868 0.007 0.000 1.140 207 T HN 1.566 nan 8.240 nan 0.000 0.473 208 V N 1.217 121.274 119.914 0.237 0.000 2.656 208 V HA 1.067 5.190 4.120 0.004 0.000 0.307 208 V C 0.170 176.145 176.094 -0.198 0.000 1.051 208 V CA -0.232 62.074 62.300 0.011 0.000 0.893 208 V CB 1.243 33.098 31.823 0.054 0.000 0.999 208 V HN 1.361 nan 8.190 nan 0.000 0.426 209 G N 2.396 110.813 108.800 -0.639 0.000 2.695 209 G HA2 0.737 4.699 3.960 0.004 0.000 0.290 209 G HA3 0.737 4.699 3.960 0.004 0.000 0.290 209 G C -2.113 172.594 174.900 -0.323 0.000 1.410 209 G CA -0.890 43.883 45.100 -0.544 0.000 0.844 209 G HN 1.242 nan 8.290 nan 0.000 0.478 210 L N 0.556 121.786 121.223 0.011 0.000 2.476 210 L HA 0.642 4.985 4.340 0.004 0.000 0.269 210 L C -1.548 175.451 176.870 0.215 0.000 0.965 210 L CA -0.812 54.108 54.840 0.134 0.000 0.845 210 L CB 2.110 44.215 42.059 0.077 0.000 1.259 210 L HN 0.426 nan 8.230 nan 0.000 0.403 211 N N 3.854 122.722 118.700 0.280 0.000 2.321 211 N HA 0.468 5.210 4.740 0.004 0.000 0.299 211 N C -1.919 173.652 175.510 0.102 0.000 1.048 211 N CA -0.220 52.957 53.050 0.211 0.000 0.836 211 N CB 2.051 40.689 38.487 0.251 0.000 1.269 211 N HN 0.690 nan 8.380 nan 0.000 0.486 212 W N 3.399 124.566 121.300 -0.222 0.000 2.702 212 W HA 0.563 5.225 4.660 0.004 0.000 0.331 212 W C -1.703 174.631 176.519 -0.308 0.000 1.049 212 W CA -0.526 56.724 57.345 -0.158 0.000 1.230 212 W CB 0.760 30.175 29.460 -0.075 0.000 1.408 212 W HN 0.392 nan 8.180 nan 0.000 0.492 213 Y N 4.145 123.857 120.300 -0.979 0.000 2.492 213 Y HA 0.250 4.802 4.550 0.004 0.000 0.346 213 Y C -0.415 174.732 175.900 -1.254 0.000 0.997 213 Y CA -1.131 56.422 58.100 -0.913 0.000 1.025 213 Y CB 1.899 40.174 38.460 -0.308 0.000 1.263 213 Y HN 0.295 nan 8.280 nan 0.000 0.454 214 D N 1.788 121.743 120.400 -0.741 0.000 2.412 214 D HA 0.148 4.790 4.640 0.004 0.000 0.224 214 D C -0.294 175.937 176.300 -0.115 0.000 1.093 214 D CA -0.168 53.639 54.000 -0.322 0.000 0.850 214 D CB 0.607 41.365 40.800 -0.070 0.000 1.046 214 D HN 0.562 nan 8.370 nan 0.000 0.507 215 N N 2.899 121.539 118.700 -0.101 0.000 2.362 215 N HA 0.113 4.856 4.740 0.004 0.000 0.204 215 N C 1.333 176.787 175.510 -0.093 0.000 1.166 215 N CA 0.464 53.456 53.050 -0.097 0.000 0.831 215 N CB 0.427 38.851 38.487 -0.105 0.000 1.008 215 N HN 0.753 nan 8.380 nan 0.000 0.472 216 G N 1.576 110.332 108.800 -0.074 0.000 2.651 216 G HA2 -0.344 3.618 3.960 0.004 0.000 0.315 216 G HA3 -0.344 3.618 3.960 0.004 0.000 0.315 216 G C 0.767 175.636 174.900 -0.052 0.000 1.258 216 G CA 0.338 45.400 45.100 -0.065 0.000 1.002 216 G HN 0.336 nan 8.290 nan 0.000 0.551 217 L N 1.596 122.782 121.223 -0.062 0.000 2.554 217 L HA 0.237 4.579 4.340 0.004 0.000 0.226 217 L C 2.018 178.854 176.870 -0.058 0.000 1.137 217 L CA 0.666 55.475 54.840 -0.051 0.000 0.863 217 L CB -0.410 41.618 42.059 -0.052 0.000 0.985 217 L HN 0.541 nan 8.230 nan 0.000 0.451 218 S N 0.167 115.824 115.700 -0.071 0.000 2.559 218 S HA -0.083 4.390 4.470 0.004 0.000 0.282 218 S C 1.625 176.185 174.600 -0.066 0.000 1.336 218 S CA 0.326 58.481 58.200 -0.074 0.000 1.037 218 S CB 0.858 64.005 63.200 -0.088 0.000 0.853 218 S HN 0.463 nan 8.310 nan 0.000 0.523 219 T N 1.902 116.417 114.554 -0.065 0.000 3.072 219 T HA 0.103 4.455 4.350 0.004 0.000 0.266 219 T C 1.786 176.436 174.700 -0.083 0.000 1.127 219 T CA 0.770 62.833 62.100 -0.061 0.000 1.107 219 T CB -0.471 68.366 68.868 -0.051 0.000 0.910 219 T HN 0.723 nan 8.240 nan 0.000 0.513 220 A N 1.560 124.311 122.820 -0.115 0.000 1.972 220 A HA 0.466 4.788 4.320 0.004 0.000 0.219 220 A C 1.841 179.344 177.584 -0.135 0.000 1.169 220 A CA 1.163 53.095 52.037 -0.175 0.000 0.635 220 A CB -1.396 17.465 19.000 -0.233 0.000 0.810 220 A HN 1.449 nan 8.150 nan 0.000 0.446 221 G N -0.730 108.015 108.800 -0.090 0.000 2.593 221 G HA2 -0.152 3.811 3.960 0.004 0.000 0.237 221 G HA3 -0.152 3.811 3.960 0.004 0.000 0.237 221 G C -0.824 174.043 174.900 -0.056 0.000 1.312 221 G CA -0.049 45.020 45.100 -0.051 0.000 0.896 221 G HN 0.443 nan 8.290 nan 0.000 0.574 222 D N 0.875 121.269 120.400 -0.010 0.000 2.368 222 D HA 0.512 5.154 4.640 0.004 0.000 0.240 222 D C 0.783 177.070 176.300 -0.021 0.000 1.169 222 D CA 0.826 54.814 54.000 -0.020 0.000 0.906 222 D CB 1.024 41.913 40.800 0.149 0.000 1.187 222 D HN 0.752 nan 8.370 nan 0.000 0.435 223 Q N -0.049 119.716 119.800 -0.058 0.000 2.377 223 Q HA 0.606 4.948 4.340 0.004 0.000 0.279 223 Q C -2.147 173.947 176.000 0.157 0.000 1.049 223 Q CA -0.839 55.005 55.803 0.068 0.000 0.825 223 Q CB 2.370 31.152 28.738 0.073 0.000 1.401 223 Q HN 0.296 nan 8.270 nan 0.000 0.404 224 V N 1.975 122.042 119.914 0.254 0.000 2.709 224 V HA 0.758 4.880 4.120 0.004 0.000 0.308 224 V C -1.570 174.719 176.094 0.325 0.000 1.062 224 V CA -0.033 62.448 62.300 0.302 0.000 0.901 224 V CB 2.464 34.469 31.823 0.304 0.000 1.003 224 V HN 0.910 nan 8.190 nan 0.000 0.425 225 T N 7.455 122.211 114.554 0.337 0.000 2.879 225 T HA 0.560 4.912 4.350 0.004 0.000 0.290 225 T C -1.109 173.811 174.700 0.367 0.000 0.993 225 T CA -0.206 62.117 62.100 0.372 0.000 0.975 225 T CB 1.231 70.323 68.868 0.373 0.000 0.981 225 T HN 0.727 nan 8.240 nan 0.000 0.439 226 L N 5.634 127.067 121.223 0.350 0.000 2.313 226 L HA 0.796 5.138 4.340 0.004 0.000 0.283 226 L C -1.277 175.809 176.870 0.361 0.000 1.013 226 L CA -0.536 54.464 54.840 0.266 0.000 0.816 226 L CB 0.491 42.655 42.059 0.174 0.000 1.236 226 L HN 0.725 nan 8.230 nan 0.000 0.419 227 Y N 2.570 122.996 120.300 0.209 0.000 2.644 227 Y HA 1.003 5.555 4.550 0.005 0.000 0.338 227 Y C -0.389 175.629 175.900 0.196 0.000 1.119 227 Y CA -0.838 57.402 58.100 0.232 0.000 1.060 227 Y CB 1.460 40.056 38.460 0.226 0.000 1.294 227 Y HN 0.777 nan 8.280 nan 0.000 0.472 228 G N 1.077 110.057 108.800 0.300 0.000 2.646 228 G HA2 0.524 4.486 3.960 0.004 0.000 0.291 228 G HA3 0.524 4.486 3.960 0.004 0.000 0.291 228 G C -2.405 172.677 174.900 0.303 0.000 1.445 228 G CA -1.271 43.961 45.100 0.221 0.000 0.814 228 G HN 1.183 nan 8.290 nan 0.000 0.495 229 N N -1.134 117.728 118.700 0.270 0.000 2.396 229 N HA 0.550 5.292 4.740 0.004 0.000 0.275 229 N C -2.224 173.397 175.510 0.184 0.000 1.218 229 N CA -0.756 52.427 53.050 0.221 0.000 0.812 229 N CB 2.980 41.573 38.487 0.176 0.000 1.592 229 N HN 0.542 nan 8.380 nan 0.000 0.480 230 Y N 0.289 120.565 120.300 -0.040 0.000 2.441 230 Y HA 0.578 5.130 4.550 0.003 0.000 0.334 230 Y C -1.506 174.181 175.900 -0.354 0.000 1.061 230 Y CA -0.520 57.435 58.100 -0.241 0.000 1.032 230 Y CB 1.903 40.204 38.460 -0.264 0.000 1.266 230 Y HN 0.895 nan 8.280 nan 0.000 0.441 231 A N 5.660 128.005 122.820 -0.791 0.000 2.276 231 A HA 0.674 4.996 4.320 0.004 0.000 0.316 231 A C -1.783 175.440 177.584 -0.602 0.000 1.229 231 A CA -0.365 51.371 52.037 -0.501 0.000 0.851 231 A CB -0.160 18.634 19.000 -0.343 0.000 1.165 231 A HN 0.615 nan 8.150 nan 0.000 0.513 232 F N 3.069 123.007 119.950 -0.021 0.000 2.363 232 F HA 0.518 5.047 4.527 0.004 0.000 0.366 232 F C 1.298 177.116 175.800 0.030 0.000 1.083 232 F CA 0.483 58.513 58.000 0.051 0.000 1.176 232 F CB 0.850 39.936 39.000 0.144 0.000 1.432 232 F HN 1.103 nan 8.300 nan 0.000 0.482 233 G N 2.061 110.927 108.800 0.109 0.000 2.574 233 G HA2 -0.335 3.628 3.960 0.004 0.000 0.301 233 G HA3 -0.335 3.628 3.960 0.004 0.000 0.301 233 G C 1.153 176.073 174.900 0.034 0.000 1.166 233 G CA 0.337 45.477 45.100 0.068 0.000 0.971 233 G HN 0.897 nan 8.290 nan 0.000 0.542 234 A N -0.200 122.650 122.820 0.049 0.000 2.218 234 A HA 0.559 4.882 4.320 0.004 0.000 0.209 234 A C 1.445 179.040 177.584 0.018 0.000 1.168 234 A CA 2.303 54.303 52.037 -0.061 0.000 0.804 234 A CB -0.258 18.601 19.000 -0.235 0.000 0.834 234 A HN 2.060 nan 8.150 nan 0.000 0.482 235 T N -0.392 114.286 114.554 0.207 0.000 2.794 235 T HA 0.532 4.884 4.350 0.004 0.000 0.280 235 T C -0.539 174.319 174.700 0.263 0.000 0.987 235 T CA -0.274 62.002 62.100 0.293 0.000 0.993 235 T CB 1.085 70.190 68.868 0.395 0.000 0.939 235 T HN 0.009 nan 8.240 nan 0.000 0.449 236 T N 4.119 118.792 114.554 0.199 0.000 2.797 236 T HA 0.583 4.935 4.350 0.004 0.000 0.279 236 T C -0.459 174.372 174.700 0.218 0.000 0.991 236 T CA -0.546 61.645 62.100 0.152 0.000 0.979 236 T CB 1.391 70.300 68.868 0.067 0.000 0.943 236 T HN 0.600 nan 8.240 nan 0.000 0.444 237 V N 4.454 124.524 119.914 0.260 0.000 2.483 237 V HA 0.605 4.728 4.120 0.004 0.000 0.295 237 V C 0.038 176.266 176.094 0.224 0.000 1.035 237 V CA -0.797 61.667 62.300 0.274 0.000 0.896 237 V CB 1.643 33.696 31.823 0.383 0.000 0.986 237 V HN 0.745 nan 8.190 nan 0.000 0.447 238 R N 2.466 123.089 120.500 0.204 0.000 2.795 238 R HA 0.917 5.260 4.340 0.004 0.000 0.275 238 R C -1.007 175.426 176.300 0.222 0.000 0.981 238 R CA -0.656 55.574 56.100 0.217 0.000 0.917 238 R CB 2.456 32.875 30.300 0.198 0.000 1.202 238 R HN 0.823 nan 8.270 nan 0.000 0.469 239 A N 1.403 124.381 122.820 0.265 0.000 2.606 239 A HA 0.748 5.070 4.320 0.004 0.000 0.293 239 A C -1.951 175.845 177.584 0.353 0.000 1.082 239 A CA -0.774 51.401 52.037 0.229 0.000 0.685 239 A CB 1.536 20.628 19.000 0.154 0.000 1.284 239 A HN 0.777 nan 8.150 nan 0.000 0.408 240 Y N -1.626 118.803 120.300 0.215 0.000 2.624 240 Y HA 0.718 5.270 4.550 0.004 0.000 0.334 240 Y C -1.031 175.008 175.900 0.230 0.000 1.155 240 Y CA -1.186 57.060 58.100 0.242 0.000 1.046 240 Y CB 1.038 39.648 38.460 0.249 0.000 1.316 240 Y HN 1.409 nan 8.280 nan 0.000 0.457 241 V N -0.494 119.645 119.914 0.375 0.000 2.789 241 V HA 0.917 5.040 4.120 0.004 0.000 0.311 241 V C -0.778 175.583 176.094 0.446 0.000 1.073 241 V CA -0.503 61.976 62.300 0.300 0.000 0.921 241 V CB 1.338 33.274 31.823 0.188 0.000 1.009 241 V HN 1.051 nan 8.190 nan 0.000 0.426 242 S N 1.515 117.473 115.700 0.431 0.000 2.546 242 S HA 0.658 5.130 4.470 0.004 0.000 0.274 242 S C -1.693 173.197 174.600 0.485 0.000 1.121 242 S CA -0.578 57.903 58.200 0.467 0.000 0.887 242 S CB 1.867 65.400 63.200 0.556 0.000 1.094 242 S HN 0.982 nan 8.310 nan 0.000 0.474 243 D N 2.698 123.351 120.400 0.422 0.000 2.646 243 D HA 0.535 5.177 4.640 0.004 0.000 0.245 243 D C -0.435 175.981 176.300 0.193 0.000 1.099 243 D CA -0.276 53.926 54.000 0.336 0.000 0.849 243 D CB 1.856 42.789 40.800 0.221 0.000 1.448 243 D HN 0.661 nan 8.370 nan 0.000 0.489 244 I N -2.029 118.551 120.570 0.017 0.000 2.910 244 I HA 0.447 4.619 4.170 0.004 0.000 0.310 244 I C 0.271 176.353 176.117 -0.059 0.000 1.043 244 I CA -0.784 60.427 61.300 -0.148 0.000 1.053 244 I CB 1.804 39.500 38.000 -0.507 0.000 1.242 244 I HN -0.045 nan 8.210 nan 0.000 0.452 245 D N 0.845 121.215 120.400 -0.050 0.000 2.277 245 D HA 0.005 4.648 4.640 0.004 0.000 0.208 245 D C 0.881 177.163 176.300 -0.029 0.000 0.962 245 D CA 0.613 54.607 54.000 -0.010 0.000 0.865 245 D CB 0.039 40.845 40.800 0.009 0.000 0.939 245 D HN 0.433 nan 8.370 nan 0.000 0.510 246 R N 0.876 121.333 120.500 -0.072 0.000 2.566 246 R HA 0.088 4.430 4.340 0.004 0.000 0.273 246 R C -0.161 176.123 176.300 -0.027 0.000 0.981 246 R CA -0.108 55.957 56.100 -0.058 0.000 1.091 246 R CB 0.353 30.599 30.300 -0.090 0.000 0.924 246 R HN -0.066 nan 8.270 nan 0.000 0.411 247 A N 3.192 126.004 122.820 -0.013 0.000 2.524 247 A HA 0.331 4.653 4.320 0.004 0.000 0.250 247 A C 1.330 178.917 177.584 0.005 0.000 1.078 247 A CA 0.630 52.667 52.037 0.000 0.000 0.761 247 A CB -0.132 18.869 19.000 0.001 0.000 1.012 247 A HN 1.091 nan 8.150 nan 0.000 0.500 248 G N 1.067 109.876 108.800 0.015 0.000 2.179 248 G HA2 0.107 4.069 3.960 0.004 0.000 0.260 248 G HA3 0.107 4.069 3.960 0.004 0.000 0.260 248 G C 0.671 175.590 174.900 0.032 0.000 0.977 248 G CA 0.524 45.636 45.100 0.021 0.000 0.641 248 G HN 2.220 nan 8.290 nan 0.000 0.533 249 A N 0.209 123.050 122.820 0.035 0.000 2.483 249 A HA 0.500 4.823 4.320 0.004 0.000 0.238 249 A C 0.448 178.097 177.584 0.108 0.000 1.070 249 A CA 0.471 52.551 52.037 0.071 0.000 0.770 249 A CB 0.313 19.339 19.000 0.044 0.000 1.008 249 A HN 0.325 nan 8.150 nan 0.000 0.497 250 D N 0.664 121.142 120.400 0.130 0.000 2.329 250 D HA 0.297 4.939 4.640 0.004 0.000 0.246 250 D C 0.064 176.482 176.300 0.196 0.000 1.111 250 D CA 0.368 54.439 54.000 0.119 0.000 0.941 250 D CB 0.713 41.545 40.800 0.054 0.000 1.169 250 D HN 0.457 nan 8.370 nan 0.000 0.441 251 T N 0.798 115.455 114.554 0.171 0.000 2.851 251 T HA 0.419 4.772 4.350 0.004 0.000 0.298 251 T C 0.177 174.955 174.700 0.131 0.000 0.977 251 T CA -0.420 61.806 62.100 0.210 0.000 1.126 251 T CB 0.750 69.728 68.868 0.183 0.000 0.916 251 T HN 0.374 nan 8.240 nan 0.000 0.529 252 A N 3.618 126.434 122.820 -0.007 0.000 2.293 252 A HA 0.780 5.103 4.320 0.004 0.000 0.302 252 A C -0.790 176.788 177.584 -0.010 0.000 1.119 252 A CA -0.658 51.195 52.037 -0.307 0.000 0.823 252 A CB 0.295 18.801 19.000 -0.824 0.000 1.097 252 A HN 0.910 nan 8.150 nan 0.000 0.491 253 Y N -1.785 118.375 120.300 -0.234 0.000 2.624 253 Y HA 0.752 5.305 4.550 0.004 0.000 0.334 253 Y C -0.183 175.315 175.900 -0.671 0.000 1.155 253 Y CA -0.793 57.018 58.100 -0.482 0.000 1.046 253 Y CB 0.841 39.148 38.460 -0.254 0.000 1.316 253 Y HN 1.080 nan 8.280 nan 0.000 0.457 254 G N 1.524 109.791 108.800 -0.887 0.000 2.733 254 G HA2 0.613 4.576 3.960 0.004 0.000 0.297 254 G HA3 0.613 4.576 3.960 0.004 0.000 0.297 254 G C -2.415 172.408 174.900 -0.128 0.000 1.422 254 G CA -0.934 43.887 45.100 -0.465 0.000 0.942 254 G HN 0.965 nan 8.290 nan 0.000 0.510 255 I N 1.050 121.641 120.570 0.036 0.000 2.569 255 I HA 0.792 4.964 4.170 0.004 0.000 0.290 255 I C -0.088 176.095 176.117 0.110 0.000 1.088 255 I CA -0.535 60.819 61.300 0.091 0.000 1.047 255 I CB 1.969 40.024 38.000 0.091 0.000 1.237 255 I HN 0.871 nan 8.210 nan 0.000 0.421 256 G N 4.813 113.692 108.800 0.132 0.000 2.645 256 G HA2 0.848 4.810 3.960 0.004 0.000 0.292 256 G HA3 0.848 4.810 3.960 0.004 0.000 0.292 256 G C -2.147 172.835 174.900 0.136 0.000 1.415 256 G CA -0.313 44.862 45.100 0.125 0.000 0.785 256 G HN 0.887 nan 8.290 nan 0.000 0.483 257 A N -0.029 122.868 122.820 0.128 0.000 2.549 257 A HA 0.761 5.083 4.320 0.004 0.000 0.297 257 A C -1.881 175.787 177.584 0.140 0.000 1.061 257 A CA -0.673 51.451 52.037 0.146 0.000 0.690 257 A CB 1.953 21.040 19.000 0.144 0.000 1.287 257 A HN 0.467 nan 8.150 nan 0.000 0.402 258 D N 0.424 120.914 120.400 0.151 0.000 2.350 258 D HA 0.480 5.122 4.640 0.004 0.000 0.245 258 D C -1.619 174.809 176.300 0.213 0.000 1.036 258 D CA 0.243 54.330 54.000 0.144 0.000 0.848 258 D CB 1.981 42.835 40.800 0.090 0.000 1.307 258 D HN 0.444 nan 8.370 nan 0.000 0.469 259 Y N 1.201 121.545 120.300 0.074 0.000 2.331 259 Y HA 0.237 4.789 4.550 0.004 0.000 0.334 259 Y C -0.447 175.514 175.900 0.103 0.000 0.960 259 Y CA -0.909 57.245 58.100 0.090 0.000 1.130 259 Y CB 1.567 40.084 38.460 0.096 0.000 1.164 259 Y HN 0.106 nan 8.280 nan 0.000 0.458 260 Q N 5.954 125.496 119.800 -0.431 0.000 2.452 260 Q HA 0.151 4.493 4.340 0.004 0.000 0.230 260 Q C 0.163 175.887 176.000 -0.460 0.000 1.180 260 Q CA 0.179 55.799 55.803 -0.306 0.000 0.914 260 Q CB -0.231 28.377 28.738 -0.215 0.000 1.408 260 Q HN 0.832 nan 8.270 nan 0.000 0.520 261 F N 2.534 122.290 119.950 -0.323 0.000 2.134 261 F HA 0.129 4.659 4.527 0.004 0.000 0.299 261 F C 0.356 176.102 175.800 -0.091 0.000 1.097 261 F CA 1.175 59.094 58.000 -0.135 0.000 1.264 261 F CB 0.278 39.325 39.000 0.078 0.000 1.001 261 F HN 0.536 nan 8.300 nan 0.000 0.479 262 A N -0.743 122.036 122.820 -0.068 0.000 2.564 262 A HA 0.321 4.643 4.320 0.004 0.000 0.291 262 A C -0.850 176.719 177.584 -0.026 0.000 1.102 262 A CA -0.666 51.299 52.037 -0.120 0.000 0.660 262 A CB 0.034 18.972 19.000 -0.104 0.000 1.283 262 A HN 0.125 nan 8.150 nan 0.000 0.430 263 E N 0.011 120.195 120.200 -0.027 0.000 2.465 263 E HA 0.351 4.704 4.350 0.004 0.000 0.260 263 E C 1.208 177.834 176.600 0.044 0.000 0.980 263 E CA 1.343 57.740 56.400 -0.004 0.000 0.927 263 E CB 0.090 29.788 29.700 -0.004 0.000 0.934 263 E HN 2.154 nan 8.360 nan 0.000 0.459 264 G N 2.726 111.551 108.800 0.041 0.000 2.184 264 G HA2 -0.257 3.706 3.960 0.004 0.000 0.264 264 G HA3 -0.257 3.706 3.960 0.004 0.000 0.264 264 G C -0.103 174.875 174.900 0.130 0.000 0.975 264 G CA 0.263 45.408 45.100 0.075 0.000 0.642 264 G HN 0.516 nan 8.290 nan 0.000 0.536 265 V N 0.449 120.447 119.914 0.140 0.000 2.482 265 V HA 0.654 4.776 4.120 0.004 0.000 0.295 265 V C 0.002 176.188 176.094 0.153 0.000 1.026 265 V CA -0.568 61.855 62.300 0.204 0.000 0.856 265 V CB 1.836 33.843 31.823 0.307 0.000 1.001 265 V HN 0.432 nan 8.190 nan 0.000 0.424 266 K N 4.101 124.565 120.400 0.107 0.000 2.426 266 K HA 0.749 5.072 4.320 0.004 0.000 0.254 266 K C -1.497 175.146 176.600 0.073 0.000 0.936 266 K CA -0.517 55.815 56.287 0.075 0.000 0.801 266 K CB 2.191 34.706 32.500 0.025 0.000 1.139 266 K HN 0.444 nan 8.250 nan 0.000 0.424 267 V N 3.292 123.275 119.914 0.115 0.000 2.407 267 V HA 0.435 4.558 4.120 0.004 0.000 0.278 267 V C -0.568 175.586 176.094 0.100 0.000 1.037 267 V CA -0.419 61.926 62.300 0.075 0.000 0.900 267 V CB 1.267 33.151 31.823 0.103 0.000 0.983 267 V HN 0.859 nan 8.190 nan 0.000 0.459 268 S N 2.315 118.060 115.700 0.074 0.000 2.588 268 S HA 0.932 5.405 4.470 0.004 0.000 0.275 268 S C -0.020 174.654 174.600 0.124 0.000 1.130 268 S CA -0.482 57.784 58.200 0.110 0.000 0.855 268 S CB 2.240 65.510 63.200 0.117 0.000 1.116 268 S HN 1.139 nan 8.310 nan 0.000 0.472 269 G N 0.500 109.371 108.800 0.118 0.000 2.692 269 G HA2 0.762 4.725 3.960 0.004 0.000 0.291 269 G HA3 0.762 4.725 3.960 0.004 0.000 0.291 269 G C -1.259 173.706 174.900 0.108 0.000 1.423 269 G CA -0.466 44.707 45.100 0.121 0.000 0.843 269 G HN 1.220 nan 8.290 nan 0.000 0.486 270 S N -1.750 114.012 115.700 0.103 0.000 2.567 270 S HA 0.734 5.206 4.470 0.004 0.000 0.270 270 S C -1.677 172.976 174.600 0.089 0.000 1.152 270 S CA -0.716 57.541 58.200 0.095 0.000 0.835 270 S CB 1.815 65.071 63.200 0.094 0.000 1.115 270 S HN 1.227 nan 8.310 nan 0.000 0.459 271 V N 1.815 121.779 119.914 0.083 0.000 2.577 271 V HA 0.629 4.751 4.120 0.004 0.000 0.303 271 V C -0.644 175.482 176.094 0.053 0.000 1.042 271 V CA -0.355 61.992 62.300 0.078 0.000 0.872 271 V CB 1.391 33.258 31.823 0.072 0.000 0.998 271 V HN 0.952 nan 8.190 nan 0.000 0.423 272 Q N 1.680 121.508 119.800 0.046 0.000 2.456 272 Q HA 0.738 5.081 4.340 0.004 0.000 0.283 272 Q C -1.059 174.898 176.000 -0.072 0.000 1.084 272 Q CA -0.669 55.136 55.803 0.004 0.000 0.801 272 Q CB 2.758 31.598 28.738 0.170 0.000 1.434 272 Q HN 0.673 nan 8.270 nan 0.000 0.419 273 S N -0.280 115.209 115.700 -0.353 0.000 2.614 273 S HA 0.731 5.203 4.470 0.004 0.000 0.288 273 S C -0.567 173.574 174.600 -0.765 0.000 1.137 273 S CA -0.389 57.485 58.200 -0.543 0.000 0.992 273 S CB 1.109 63.727 63.200 -0.968 0.000 1.026 273 S HN 0.735 nan 8.310 nan 0.000 0.486 274 G N 2.118 110.280 108.800 -1.064 0.000 2.525 274 G HA2 0.485 4.447 3.960 0.004 0.000 0.287 274 G HA3 0.485 4.447 3.960 0.004 0.000 0.287 274 G C 0.137 174.482 174.900 -0.925 0.000 1.350 274 G CA -0.583 43.409 45.100 -1.846 0.000 1.039 274 G HN 0.668 nan 8.290 nan 0.000 0.513 275 F N 0.097 119.722 119.950 -0.542 0.000 2.502 275 F HA 0.163 4.693 4.527 0.004 0.000 0.298 275 F C 2.423 178.123 175.800 -0.166 0.000 1.111 275 F CA 0.997 58.859 58.000 -0.230 0.000 1.445 275 F CB 0.132 39.055 39.000 -0.129 0.000 1.081 275 F HN 0.342 nan 8.300 nan 0.000 0.558 276 A N -0.612 122.175 122.820 -0.054 0.000 2.630 276 A HA 0.320 4.642 4.320 0.004 0.000 0.290 276 A C 0.843 178.378 177.584 -0.082 0.000 1.267 276 A CA -0.031 51.984 52.037 -0.037 0.000 0.950 276 A CB -0.675 18.314 19.000 -0.017 0.000 1.144 276 A HN 0.261 nan 8.150 nan 0.000 0.527 277 N N -0.166 118.452 118.700 -0.136 0.000 2.800 277 N HA -0.153 4.589 4.740 0.004 0.000 0.250 277 N C -0.574 174.854 175.510 -0.136 0.000 1.078 277 N CA 1.321 54.296 53.050 -0.126 0.000 0.804 277 N CB -1.393 37.063 38.487 -0.051 0.000 1.135 277 N HN 0.716 nan 8.380 nan 0.000 0.565 278 E N -0.317 119.773 120.200 -0.183 0.000 2.392 278 E HA 0.213 4.565 4.350 0.004 0.000 0.264 278 E C -0.026 176.522 176.600 -0.085 0.000 1.024 278 E CA 0.554 56.891 56.400 -0.105 0.000 0.903 278 E CB 0.512 30.178 29.700 -0.056 0.000 0.963 278 E HN 0.122 nan 8.360 nan 0.000 0.432 279 T N 2.119 116.658 114.554 -0.025 0.000 2.786 279 T HA 0.500 4.852 4.350 0.004 0.000 0.283 279 T C -0.767 173.971 174.700 0.064 0.000 0.992 279 T CA -0.833 61.284 62.100 0.028 0.000 0.954 279 T CB 0.575 69.490 68.868 0.079 0.000 0.934 279 T HN 0.341 nan 8.240 nan 0.000 0.440 280 V N 0.403 120.391 119.914 0.122 0.000 2.823 280 V HA 1.069 5.192 4.120 0.004 0.000 0.312 280 V C -0.637 175.567 176.094 0.182 0.000 1.072 280 V CA -1.160 61.213 62.300 0.122 0.000 0.937 280 V CB 1.459 33.326 31.823 0.073 0.000 1.013 280 V HN 1.082 nan 8.190 nan 0.000 0.430 281 A N 3.325 126.293 122.820 0.248 0.000 2.556 281 A HA 0.995 5.317 4.320 0.004 0.000 0.294 281 A C -1.214 176.480 177.584 0.183 0.000 1.091 281 A CA -0.017 52.138 52.037 0.197 0.000 0.704 281 A CB 2.061 21.173 19.000 0.187 0.000 1.300 281 A HN 1.609 nan 8.150 nan 0.000 0.406 282 D N -1.531 118.963 120.400 0.156 0.000 2.599 282 D HA 0.605 5.247 4.640 0.004 0.000 0.252 282 D C -1.453 174.977 176.300 0.217 0.000 1.232 282 D CA -0.661 53.474 54.000 0.225 0.000 0.819 282 D CB 1.922 42.847 40.800 0.207 0.000 1.401 282 D HN 1.202 nan 8.370 nan 0.000 0.429 283 V N -0.049 120.001 119.914 0.227 0.000 2.789 283 V HA 0.844 4.966 4.120 0.004 0.000 0.300 283 V C -0.648 175.302 176.094 -0.240 0.000 1.184 283 V CA 0.603 62.941 62.300 0.064 0.000 0.930 283 V CB 0.954 32.784 31.823 0.011 0.000 1.041 283 V HN 1.307 nan 8.190 nan 0.000 0.430 284 G N 3.456 112.007 108.800 -0.415 0.000 2.490 284 G HA2 0.643 4.605 3.960 0.004 0.000 0.308 284 G HA3 0.643 4.605 3.960 0.004 0.000 0.308 284 G C -1.890 172.704 174.900 -0.511 0.000 1.286 284 G CA 0.140 44.688 45.100 -0.920 0.000 0.825 284 G HN 1.516 nan 8.290 nan 0.000 0.479 285 V N -0.240 119.317 119.914 -0.596 0.000 2.789 285 V HA 0.884 5.006 4.120 0.004 0.000 0.311 285 V C -0.645 175.373 176.094 -0.127 0.000 1.073 285 V CA -0.955 61.166 62.300 -0.298 0.000 0.921 285 V CB 1.852 33.448 31.823 -0.378 0.000 1.009 285 V HN 0.973 nan 8.190 nan 0.000 0.426 286 R N 5.381 125.889 120.500 0.013 0.000 2.494 286 R HA 0.703 5.045 4.340 0.004 0.000 0.305 286 R C -1.785 174.586 176.300 0.119 0.000 0.959 286 R CA -0.497 55.607 56.100 0.008 0.000 0.864 286 R CB 1.659 31.918 30.300 -0.068 0.000 1.159 286 R HN 0.723 nan 8.270 nan 0.000 0.446 287 F N 0.440 120.438 119.950 0.079 0.000 2.547 287 F HA 0.514 5.043 4.527 0.004 0.000 0.316 287 F C -1.209 174.626 175.800 0.059 0.000 1.121 287 F CA -1.296 56.764 58.000 0.101 0.000 0.911 287 F CB 1.516 40.621 39.000 0.175 0.000 1.179 287 F HN 0.346 nan 8.300 nan 0.000 0.443 288 D N 3.464 123.925 120.400 0.103 0.000 2.163 288 D HA 0.639 5.281 4.640 0.004 0.000 0.248 288 D C -0.702 175.625 176.300 0.044 0.000 1.035 288 D CA 0.074 54.016 54.000 -0.097 0.000 0.872 288 D CB 1.658 42.420 40.800 -0.063 0.000 1.183 288 D HN 0.472 nan 8.370 nan 0.000 0.445 289 F N 0.000 120.048 119.950 0.163 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 39.116 39.000 0.193 0.000 1.145 289 F HN 0.000 nan 8.300 nan 0.000 0.574