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 2qjv_1_B DATA FIRST_RESID 2 DATA SEQUENCE ANLLSTCTSE SGNIQHISPQ NAGWEYVGFD VWQLXAGESI TLPSDERERC DATA SEQUENCE LVLVAGLASV XAADSFFYRI GQRXSPFERI PAYSVYLPHH TEAXVTAETD DATA SEQUENCE LELAVCSAPG FGELPVRLIS PQEVGVEHRG XGRNQRLVHN ILPDSQLADS DATA SEQUENCE LLVVEVYTNA GATSSWPAHX HDTAVEGQET YLEETYYHRF NPPQGFCLQR DATA SEQUENCE VYTDDRSLDE CXAVYNRDVV XVPXGYHPVA TIAGYDNYYL NVXAGPLRXW DATA SEQUENCE RFTWEENHAW INS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.587 177.584 0.005 0.000 1.274 2 A CA 0.000 52.045 52.037 0.013 0.000 0.836 2 A CB 0.000 19.015 19.000 0.025 0.000 0.831 3 N N 2.064 120.760 118.700 -0.007 0.000 2.678 3 N HA 0.501 5.241 4.740 0.000 0.000 0.231 3 N C 0.298 175.796 175.510 -0.021 0.000 1.038 3 N CA -0.457 52.585 53.050 -0.013 0.000 0.932 3 N CB 0.141 38.616 38.487 -0.019 0.000 1.176 3 N HN 0.547 nan 8.380 nan 0.000 0.511 4 L N 1.330 122.548 121.223 -0.007 0.000 2.529 4 L HA 0.264 4.604 4.340 0.000 0.000 0.223 4 L C 0.245 177.118 176.870 0.005 0.000 1.113 4 L CA -0.041 54.796 54.840 -0.006 0.000 0.861 4 L CB 0.019 42.087 42.059 0.014 0.000 1.012 4 L HN 0.403 nan 8.230 nan 0.000 0.461 5 L N -0.213 121.017 121.223 0.011 0.000 2.275 5 L HA 0.320 4.660 4.340 0.000 0.000 0.288 5 L C 0.038 176.927 176.870 0.032 0.000 1.046 5 L CA 0.313 55.172 54.840 0.032 0.000 0.805 5 L CB 1.581 43.658 42.059 0.030 0.000 1.193 5 L HN -0.204 nan 8.230 nan 0.000 0.426 6 S N 3.051 118.788 115.700 0.061 0.000 2.667 6 S HA 0.490 4.960 4.470 0.000 0.000 0.304 6 S C -0.226 174.433 174.600 0.099 0.000 1.135 6 S CA -0.423 57.813 58.200 0.061 0.000 1.125 6 S CB 0.142 63.373 63.200 0.051 0.000 0.996 6 S HN 0.852 nan 8.310 nan 0.000 0.474 7 T N 1.670 116.269 114.554 0.074 0.000 2.913 7 T HA 0.358 4.709 4.350 0.000 0.000 0.297 7 T C 0.954 175.707 174.700 0.089 0.000 1.029 7 T CA -0.712 61.440 62.100 0.087 0.000 1.104 7 T CB -0.174 68.719 68.868 0.042 0.000 0.964 7 T HN 0.854 nan 8.240 nan 0.000 0.532 8 C N 3.519 122.890 119.300 0.118 0.000 2.648 8 C HA 0.396 4.856 4.460 0.000 0.000 0.419 8 C C 2.153 177.173 174.990 0.049 0.000 1.352 8 C CA -0.057 59.022 59.018 0.102 0.000 1.816 8 C CB -0.931 26.897 27.740 0.146 0.000 2.598 8 C HN 1.065 nan 8.230 nan 0.000 0.598 9 T N 0.832 115.399 114.554 0.022 0.000 2.995 9 T HA 0.137 4.487 4.350 0.000 0.000 0.269 9 T C 0.682 175.380 174.700 -0.003 0.000 1.091 9 T CA 1.010 63.111 62.100 0.001 0.000 1.128 9 T CB -0.449 68.409 68.868 -0.016 0.000 0.891 9 T HN 1.351 nan 8.240 nan 0.000 0.492 10 S N -1.047 114.654 115.700 0.001 0.000 2.688 10 S HA 0.472 4.942 4.470 0.000 0.000 0.275 10 S C 0.289 174.905 174.600 0.025 0.000 1.175 10 S CA -0.617 57.586 58.200 0.005 0.000 0.818 10 S CB 1.840 65.034 63.200 -0.010 0.000 1.157 10 S HN -0.029 nan 8.310 nan 0.000 0.482 11 E N 0.402 120.620 120.200 0.031 0.000 2.190 11 E HA 0.262 4.612 4.350 0.000 0.000 0.191 11 E C 0.908 177.540 176.600 0.053 0.000 0.978 11 E CA 0.843 57.272 56.400 0.048 0.000 0.839 11 E CB 0.161 29.888 29.700 0.045 0.000 0.787 11 E HN 0.891 nan 8.360 nan 0.000 0.473 12 S N -1.759 113.967 115.700 0.042 0.000 2.632 12 S HA 0.766 5.237 4.470 0.000 0.000 0.289 12 S C 0.785 175.409 174.600 0.041 0.000 1.115 12 S CA -0.290 57.943 58.200 0.056 0.000 0.889 12 S CB 2.045 65.283 63.200 0.064 0.000 1.116 12 S HN 0.774 nan 8.310 nan 0.000 0.486 13 G N 1.852 110.707 108.800 0.091 0.000 2.498 13 G HA2 -0.264 3.696 3.960 0.000 0.000 0.245 13 G HA3 -0.264 3.696 3.960 0.000 0.000 0.245 13 G C -0.216 174.607 174.900 -0.129 0.000 1.204 13 G CA -0.004 45.165 45.100 0.115 0.000 0.933 13 G HN 1.176 nan 8.290 nan 0.000 0.574 14 N N 1.736 120.103 118.700 -0.555 0.000 3.124 14 N HA 0.283 5.023 4.740 0.000 0.000 0.284 14 N C 2.075 177.270 175.510 -0.524 0.000 1.209 14 N CA 0.298 52.677 53.050 -1.118 0.000 1.149 14 N CB -0.378 37.159 38.487 -1.583 0.000 1.434 14 N HN 0.675 nan 8.380 nan 0.000 0.529 15 I N -1.509 118.868 120.570 -0.322 0.000 2.493 15 I HA -0.044 4.126 4.170 0.000 0.000 0.254 15 I C -0.144 175.920 176.117 -0.089 0.000 1.160 15 I CA 0.962 62.184 61.300 -0.130 0.000 1.445 15 I CB 0.057 38.047 38.000 -0.016 0.000 1.086 15 I HN 0.258 nan 8.210 nan 0.000 0.433 16 Q N 1.195 120.897 119.800 -0.163 0.000 2.304 16 Q HA 0.360 4.700 4.340 0.000 0.000 0.270 16 Q C -1.595 174.328 176.000 -0.130 0.000 1.035 16 Q CA -0.384 55.371 55.803 -0.081 0.000 0.781 16 Q CB 2.133 30.862 28.738 -0.015 0.000 1.261 16 Q HN 0.430 nan 8.270 nan 0.000 0.444 17 H N 2.920 121.906 119.070 -0.139 0.000 3.036 17 H HA 0.418 4.974 4.556 0.000 0.000 0.295 17 H C -1.277 174.032 175.328 -0.033 0.000 1.124 17 H CA -0.314 55.660 56.048 -0.125 0.000 1.507 17 H CB 0.317 29.988 29.762 -0.153 0.000 1.591 17 H HN 0.375 nan 8.280 nan 0.000 0.510 18 I N 4.482 124.858 120.570 -0.324 0.000 2.362 18 I HA 0.328 4.498 4.170 0.000 0.000 0.289 18 I C 0.073 176.018 176.117 -0.286 0.000 0.994 18 I CA -0.434 60.731 61.300 -0.224 0.000 1.158 18 I CB 0.908 38.934 38.000 0.042 0.000 1.315 18 I HN 0.670 nan 8.210 nan 0.000 0.451 19 S N 5.903 121.418 115.700 -0.308 0.000 2.599 19 S HA 0.637 5.108 4.470 0.000 0.000 0.294 19 S C -2.331 172.237 174.600 -0.054 0.000 1.094 19 S CA -1.434 56.682 58.200 -0.140 0.000 0.931 19 S CB 2.455 65.566 63.200 -0.147 0.000 1.093 19 S HN 0.270 nan 8.310 nan 0.000 0.488 20 P HA -0.148 nan 4.420 nan 0.000 0.217 20 P C 1.146 178.442 177.300 -0.007 0.000 1.151 20 P CA 1.441 64.644 63.100 0.172 0.000 0.849 20 P CB 0.013 31.863 31.700 0.250 0.000 0.787 21 Q N -0.579 119.216 119.800 -0.008 0.000 2.079 21 Q HA -0.151 4.189 4.340 0.000 0.000 0.200 21 Q C 1.758 177.717 176.000 -0.068 0.000 0.974 21 Q CA 1.759 57.550 55.803 -0.019 0.000 0.840 21 Q CB -0.838 27.909 28.738 0.014 0.000 0.898 21 Q HN 0.423 nan 8.270 nan 0.000 0.430 22 N N -0.759 117.874 118.700 -0.112 0.000 2.373 22 N HA 0.074 4.815 4.740 0.000 0.000 0.181 22 N C 1.024 176.391 175.510 -0.238 0.000 1.082 22 N CA 0.914 53.883 53.050 -0.134 0.000 0.885 22 N CB -0.081 38.350 38.487 -0.093 0.000 0.977 22 N HN 0.158 nan 8.380 nan 0.000 0.462 23 A N 0.016 122.593 122.820 -0.406 0.000 2.178 23 A HA 0.495 4.815 4.320 0.000 0.000 0.211 23 A C 1.556 178.804 177.584 -0.561 0.000 1.157 23 A CA 0.341 51.937 52.037 -0.735 0.000 0.780 23 A CB -0.844 17.193 19.000 -1.604 0.000 0.828 23 A HN 0.588 nan 8.150 nan 0.000 0.476 24 G N -1.454 107.176 108.800 -0.283 0.000 2.246 24 G HA2 -0.223 3.737 3.960 0.000 0.000 0.273 24 G HA3 -0.223 3.737 3.960 0.000 0.000 0.273 24 G C -0.133 174.831 174.900 0.107 0.000 1.055 24 G CA 0.867 45.921 45.100 -0.077 0.000 0.851 24 G HN 1.580 nan 8.290 nan 0.000 0.500 25 W N -2.186 119.153 121.300 0.065 0.000 3.483 25 W HA 0.799 5.459 4.660 0.000 0.000 0.378 25 W C 0.484 177.046 176.519 0.072 0.000 1.097 25 W CA -0.665 56.748 57.345 0.113 0.000 1.075 25 W CB 0.116 29.676 29.460 0.167 0.000 1.534 25 W HN -0.058 nan 8.180 nan 0.000 0.610 26 E N -1.528 118.952 120.200 0.468 0.000 2.453 26 E HA 0.110 4.460 4.350 0.000 0.000 0.211 26 E C 0.929 177.405 176.600 -0.207 0.000 0.897 26 E CA 0.438 56.858 56.400 0.034 0.000 1.063 26 E CB 0.904 30.488 29.700 -0.193 0.000 1.080 26 E HN 0.371 nan 8.360 nan 0.000 0.512 27 Y N -0.229 120.139 120.300 0.113 0.000 2.817 27 Y HA 0.191 4.741 4.550 0.000 0.000 0.257 27 Y C 0.882 176.824 175.900 0.070 0.000 1.055 27 Y CA -0.263 57.865 58.100 0.047 0.000 1.319 27 Y CB 0.456 38.900 38.460 -0.028 0.000 1.481 27 Y HN -0.266 nan 8.280 nan 0.000 0.471 28 V N 1.644 121.651 119.914 0.156 0.000 2.530 28 V HA 0.527 4.647 4.120 0.000 0.000 0.282 28 V C 0.461 176.816 176.094 0.436 0.000 1.048 28 V CA -0.113 62.312 62.300 0.209 0.000 0.997 28 V CB 0.474 32.291 31.823 -0.009 0.000 0.987 28 V HN 0.354 nan 8.190 nan 0.000 0.477 29 G N 3.456 112.428 108.800 0.287 0.000 2.482 29 G HA2 0.704 4.664 3.960 0.000 0.000 0.317 29 G HA3 0.704 4.664 3.960 0.000 0.000 0.317 29 G C -1.698 173.366 174.900 0.273 0.000 1.241 29 G CA -0.404 44.837 45.100 0.235 0.000 0.967 29 G HN 0.511 nan 8.290 nan 0.000 0.482 30 F N 1.464 121.440 119.950 0.043 0.000 2.653 30 F HA 0.435 4.963 4.527 0.000 0.000 0.327 30 F C -1.337 174.448 175.800 -0.025 0.000 1.195 30 F CA -0.953 57.059 58.000 0.020 0.000 0.993 30 F CB 1.935 40.957 39.000 0.035 0.000 1.259 30 F HN 0.371 nan 8.300 nan 0.000 0.478 31 D N 5.089 125.069 120.400 -0.698 0.000 2.575 31 D HA 0.620 5.260 4.640 0.000 0.000 0.236 31 D C -1.282 174.539 176.300 -0.799 0.000 1.075 31 D CA -0.355 53.316 54.000 -0.548 0.000 0.860 31 D CB 3.190 43.914 40.800 -0.127 0.000 1.475 31 D HN 0.256 nan 8.370 nan 0.000 0.474 32 V N 1.617 121.145 119.914 -0.643 0.000 2.588 32 V HA 0.405 4.525 4.120 0.000 0.000 0.304 32 V C -1.158 174.694 176.094 -0.404 0.000 1.042 32 V CA -0.802 61.214 62.300 -0.474 0.000 0.877 32 V CB 1.924 33.438 31.823 -0.514 0.000 0.996 32 V HN 0.486 nan 8.190 nan 0.000 0.425 33 W N 2.461 123.682 121.300 -0.131 0.000 2.532 33 W HA 0.688 5.348 4.660 0.000 0.000 0.321 33 W C -0.113 176.394 176.519 -0.021 0.000 1.037 33 W CA -0.502 56.807 57.345 -0.061 0.000 1.220 33 W CB 1.736 31.161 29.460 -0.058 0.000 1.361 33 W HN 0.426 nan 8.180 nan 0.000 0.468 34 Q N 3.748 123.666 119.800 0.196 0.000 2.400 34 Q HA 0.564 4.904 4.340 0.000 0.000 0.255 34 Q C -1.160 174.938 176.000 0.163 0.000 1.008 34 Q CA 0.039 55.933 55.803 0.152 0.000 0.841 34 Q CB 0.450 29.255 28.738 0.113 0.000 1.220 34 Q HN 0.547 nan 8.270 nan 0.000 0.474 38 G N 1.188 109.999 108.800 0.018 0.000 2.232 38 G HA2 -0.159 3.801 3.960 0.000 0.000 0.226 38 G HA3 -0.159 3.801 3.960 0.000 0.000 0.226 38 G C 0.022 174.927 174.900 0.007 0.000 0.996 38 G CA 0.468 45.576 45.100 0.013 0.000 0.626 38 G HN 0.948 nan 8.290 nan 0.000 0.509 39 E N 0.661 120.865 120.200 0.008 0.000 2.319 39 E HA 0.647 4.997 4.350 0.000 0.000 0.268 39 E C -0.256 176.327 176.600 -0.028 0.000 1.050 39 E CA 0.061 56.459 56.400 -0.003 0.000 0.878 39 E CB 1.332 31.040 29.700 0.014 0.000 1.066 39 E HN 0.187 nan 8.360 nan 0.000 0.406 40 S N 0.768 116.433 115.700 -0.057 0.000 2.632 40 S HA 0.651 5.121 4.470 0.000 0.000 0.289 40 S C -0.618 173.867 174.600 -0.192 0.000 1.115 40 S CA -0.792 57.345 58.200 -0.105 0.000 0.889 40 S CB 1.076 64.228 63.200 -0.079 0.000 1.116 40 S HN 0.511 nan 8.310 nan 0.000 0.486 41 I N -1.376 119.027 120.570 -0.277 0.000 2.865 41 I HA 0.756 4.926 4.170 0.000 0.000 0.302 41 I C -1.102 174.840 176.117 -0.292 0.000 1.140 41 I CA -0.586 60.464 61.300 -0.417 0.000 1.021 41 I CB 2.456 39.929 38.000 -0.878 0.000 1.233 41 I HN 0.380 nan 8.210 nan 0.000 0.427 42 T N 5.568 119.970 114.554 -0.253 0.000 2.786 42 T HA 0.568 4.918 4.350 0.000 0.000 0.283 42 T C -0.283 174.323 174.700 -0.157 0.000 0.992 42 T CA -0.417 61.582 62.100 -0.168 0.000 0.954 42 T CB 1.195 69.996 68.868 -0.112 0.000 0.934 42 T HN 0.382 nan 8.240 nan 0.000 0.440 43 L N 6.176 127.320 121.223 -0.131 0.000 2.312 43 L HA 0.452 4.792 4.340 0.000 0.000 0.281 43 L C -1.836 175.001 176.870 -0.055 0.000 1.070 43 L CA -2.104 52.684 54.840 -0.087 0.000 0.805 43 L CB 0.901 42.909 42.059 -0.086 0.000 1.174 43 L HN 0.347 nan 8.230 nan 0.000 0.434 44 P HA 0.056 nan 4.420 nan 0.000 0.279 44 P C -0.684 176.617 177.300 0.002 0.000 1.252 44 P CA -0.591 62.504 63.100 -0.009 0.000 0.811 44 P CB 1.452 33.160 31.700 0.013 0.000 1.035 45 S N 1.394 117.101 115.700 0.011 0.000 2.423 45 S HA 0.272 4.742 4.470 0.000 0.000 0.302 45 S C -0.243 174.415 174.600 0.096 0.000 1.143 45 S CA -0.220 58.006 58.200 0.043 0.000 1.080 45 S CB -1.314 61.905 63.200 0.031 0.000 1.081 45 S HN 0.524 nan 8.310 nan 0.000 0.522 46 D N 2.911 123.379 120.400 0.114 0.000 2.958 46 D HA 0.289 4.929 4.640 0.000 0.000 0.306 46 D C -0.096 176.289 176.300 0.141 0.000 1.226 46 D CA -0.552 53.532 54.000 0.140 0.000 1.032 46 D CB 0.025 40.877 40.800 0.087 0.000 1.400 46 D HN 0.287 nan 8.370 nan 0.000 0.587 47 E N -0.636 119.625 120.200 0.100 0.000 2.403 47 E HA 0.185 4.536 4.350 0.000 0.000 0.188 47 E C -0.106 176.492 176.600 -0.003 0.000 1.056 47 E CA -0.015 56.402 56.400 0.029 0.000 0.892 47 E CB 0.270 29.990 29.700 0.033 0.000 1.049 47 E HN 0.230 nan 8.360 nan 0.000 0.465 48 R N 1.357 121.879 120.500 0.037 0.000 2.562 48 R HA 0.225 4.565 4.340 0.000 0.000 0.298 48 R C 0.218 176.524 176.300 0.011 0.000 0.961 48 R CA -0.500 55.616 56.100 0.026 0.000 0.881 48 R CB 1.651 31.978 30.300 0.045 0.000 1.159 48 R HN 0.128 nan 8.270 nan 0.000 0.450 49 E N 3.067 123.258 120.200 -0.015 0.000 2.318 49 E HA 0.398 4.748 4.350 0.000 0.000 0.265 49 E C -0.636 175.920 176.600 -0.072 0.000 1.069 49 E CA -0.734 55.621 56.400 -0.076 0.000 0.893 49 E CB 1.461 31.142 29.700 -0.031 0.000 1.076 49 E HN 0.345 nan 8.360 nan 0.000 0.414 50 R N 0.594 120.988 120.500 -0.177 0.000 2.771 50 R HA 0.487 4.827 4.340 0.000 0.000 0.274 50 R C -1.611 174.619 176.300 -0.116 0.000 0.987 50 R CA -0.873 55.163 56.100 -0.106 0.000 0.908 50 R CB 2.276 32.521 30.300 -0.092 0.000 1.213 50 R HN 0.655 nan 8.270 nan 0.000 0.468 51 C N 4.404 123.704 119.300 -0.000 0.000 2.316 51 C HA 0.490 4.950 4.460 0.000 0.000 0.324 51 C C -0.556 174.455 174.990 0.035 0.000 1.226 51 C CA -0.628 58.415 59.018 0.042 0.000 1.450 51 C CB -0.327 27.470 27.740 0.096 0.000 2.123 51 C HN 0.680 nan 8.230 nan 0.000 0.454 52 L N 6.742 127.976 121.223 0.018 0.000 2.281 52 L HA 0.510 4.850 4.340 0.000 0.000 0.285 52 L C -0.248 176.658 176.870 0.061 0.000 1.074 52 L CA -0.239 54.616 54.840 0.025 0.000 0.817 52 L CB 0.915 42.975 42.059 0.002 0.000 1.168 52 L HN 0.357 nan 8.230 nan 0.000 0.434 53 V N 5.101 125.061 119.914 0.077 0.000 2.378 53 V HA 0.250 4.370 4.120 0.000 0.000 0.288 53 V C 0.011 176.171 176.094 0.109 0.000 1.016 53 V CA -0.588 61.777 62.300 0.108 0.000 0.840 53 V CB 1.804 33.708 31.823 0.136 0.000 0.994 53 V HN 0.426 nan 8.190 nan 0.000 0.431 54 L N 5.821 127.114 121.223 0.116 0.000 2.385 54 L HA 0.224 4.564 4.340 0.000 0.000 0.285 54 L C 1.210 178.146 176.870 0.110 0.000 1.125 54 L CA 0.629 55.530 54.840 0.102 0.000 0.890 54 L CB 0.857 42.969 42.059 0.088 0.000 1.251 54 L HN 0.503 nan 8.230 nan 0.000 0.445 55 V N 2.055 122.039 119.914 0.116 0.000 2.358 55 V HA 0.051 4.171 4.120 0.000 0.000 0.246 55 V C 1.055 177.171 176.094 0.038 0.000 1.047 55 V CA 1.419 63.781 62.300 0.103 0.000 1.035 55 V CB -0.543 31.395 31.823 0.193 0.000 0.658 55 V HN 0.820 nan 8.190 nan 0.000 0.452 56 A N -1.758 121.099 122.820 0.063 0.000 2.540 56 A HA 0.687 5.008 4.320 0.000 0.000 0.297 56 A C -0.122 177.498 177.584 0.060 0.000 1.056 56 A CA 0.114 52.182 52.037 0.053 0.000 0.700 56 A CB 1.071 20.103 19.000 0.054 0.000 1.280 56 A HN 1.454 nan 8.150 nan 0.000 0.398 57 G N -0.343 108.488 108.800 0.052 0.000 2.661 57 G HA2 0.291 4.251 3.960 0.000 0.000 0.685 57 G HA3 0.291 4.251 3.960 0.000 0.000 0.685 57 G C -0.974 173.944 174.900 0.030 0.000 1.298 57 G CA -0.447 44.680 45.100 0.044 0.000 0.855 57 G HN 1.402 nan 8.290 nan 0.000 0.560 58 L N 0.041 121.276 121.223 0.020 0.000 2.334 58 L HA 0.859 5.199 4.340 0.000 0.000 0.273 58 L C 0.703 177.572 176.870 -0.002 0.000 1.013 58 L CA -0.457 54.382 54.840 -0.001 0.000 0.816 58 L CB 1.673 43.734 42.059 0.003 0.000 1.278 58 L HN 1.463 nan 8.230 nan 0.000 0.431 59 A N 1.475 124.280 122.820 -0.025 0.000 2.566 59 A HA 0.849 5.170 4.320 0.000 0.000 0.292 59 A C -1.046 176.531 177.584 -0.012 0.000 1.112 59 A CA -0.476 51.551 52.037 -0.016 0.000 0.707 59 A CB 2.072 21.057 19.000 -0.026 0.000 1.302 59 A HN 0.554 nan 8.150 nan 0.000 0.409 60 S N -0.561 115.148 115.700 0.014 0.000 2.513 60 S HA 0.742 5.213 4.470 0.000 0.000 0.299 60 S C -0.494 174.093 174.600 -0.022 0.000 1.087 60 S CA -0.438 57.774 58.200 0.020 0.000 1.012 60 S CB 1.583 64.862 63.200 0.131 0.000 1.044 60 S HN 0.772 nan 8.310 nan 0.000 0.485 64 A N 1.461 124.172 122.820 -0.181 0.000 5.382 64 A HA -0.197 4.123 4.320 0.000 0.000 0.307 64 A C 0.505 177.954 177.584 -0.225 0.000 1.937 64 A CA 1.730 53.677 52.037 -0.150 0.000 0.715 64 A CB -1.511 17.440 19.000 -0.082 0.000 1.293 64 A HN 1.322 nan 8.150 nan 0.000 0.374 65 D N 0.844 121.123 120.400 -0.203 0.000 2.525 65 D HA 0.476 5.116 4.640 0.000 0.000 0.229 65 D C -0.336 175.755 176.300 -0.349 0.000 1.202 65 D CA 0.911 54.774 54.000 -0.228 0.000 0.828 65 D CB 0.236 40.976 40.800 -0.100 0.000 1.008 65 D HN 0.459 nan 8.370 nan 0.000 0.493 66 S N -0.270 115.074 115.700 -0.594 0.000 2.599 66 S HA 0.641 5.111 4.470 0.000 0.000 0.294 66 S C -0.716 173.118 174.600 -1.277 0.000 1.094 66 S CA -0.645 57.091 58.200 -0.772 0.000 0.931 66 S CB 1.585 64.328 63.200 -0.762 0.000 1.093 66 S HN -0.033 nan 8.310 nan 0.000 0.488 67 F N 1.579 121.034 119.950 -0.825 0.000 2.499 67 F HA 0.554 5.081 4.527 0.000 0.000 0.333 67 F C -1.076 174.121 175.800 -1.006 0.000 1.138 67 F CA -0.755 56.710 58.000 -0.892 0.000 0.945 67 F CB 0.909 39.511 39.000 -0.663 0.000 1.181 67 F HN 0.356 nan 8.300 nan 0.000 0.435 68 F N 3.320 123.035 119.950 -0.392 0.000 2.347 68 F HA 0.448 4.975 4.527 0.000 0.000 0.366 68 F C -0.822 174.787 175.800 -0.319 0.000 1.107 68 F CA -1.467 56.381 58.000 -0.253 0.000 1.058 68 F CB 0.471 39.381 39.000 -0.151 0.000 1.236 68 F HN 0.288 nan 8.300 nan 0.000 0.456 69 Y N 1.566 121.951 120.300 0.143 0.000 2.330 69 Y HA 0.503 5.053 4.550 0.000 0.000 0.336 69 Y C 0.710 176.614 175.900 0.006 0.000 1.036 69 Y CA -1.555 56.580 58.100 0.058 0.000 1.125 69 Y CB 1.250 39.733 38.460 0.037 0.000 1.194 69 Y HN 0.518 nan 8.280 nan 0.000 0.469 70 R N 1.144 121.728 120.500 0.138 0.000 3.422 70 R HA -0.202 4.138 4.340 0.000 0.000 0.267 70 R C -0.491 175.768 176.300 -0.069 0.000 1.074 70 R CA 0.643 56.766 56.100 0.038 0.000 0.718 70 R CB -2.187 28.148 30.300 0.058 0.000 1.157 70 R HN 0.760 nan 8.270 nan 0.000 0.440 71 I N -2.044 118.410 120.570 -0.194 0.000 2.882 71 I HA 0.635 4.805 4.170 0.000 0.000 0.286 71 I C 1.127 177.012 176.117 -0.387 0.000 1.139 71 I CA 0.438 61.408 61.300 -0.550 0.000 1.379 71 I CB 0.857 38.255 38.000 -1.004 0.000 1.410 71 I HN 0.265 nan 8.210 nan 0.000 0.594 72 G N 2.682 111.234 108.800 -0.414 0.000 2.592 72 G HA2 -0.057 3.904 3.960 0.000 0.000 0.684 72 G HA3 -0.057 3.904 3.960 0.000 0.000 0.684 72 G C -0.591 174.339 174.900 0.050 0.000 1.291 72 G CA 0.263 45.342 45.100 -0.035 0.000 0.891 72 G HN 0.995 nan 8.290 nan 0.000 0.544 73 Q N -1.434 118.413 119.800 0.078 0.000 2.039 73 Q HA 0.096 4.436 4.340 0.000 0.000 0.153 73 Q C 1.512 177.547 176.000 0.058 0.000 0.617 73 Q CA 0.589 56.435 55.803 0.072 0.000 0.885 73 Q CB 0.098 28.894 28.738 0.097 0.000 1.090 73 Q HN 0.985 nan 8.270 nan 0.000 0.300 77 P HA 0.032 nan 4.420 nan 0.000 0.222 77 P C 1.023 178.115 177.300 -0.347 0.000 1.147 77 P CA 0.999 63.797 63.100 -0.503 0.000 0.790 77 P CB -0.224 30.704 31.700 -1.286 0.000 0.780 78 F N 0.668 120.630 119.950 0.020 0.000 2.802 78 F HA 0.050 4.578 4.527 0.001 0.000 0.300 78 F C 2.088 177.919 175.800 0.052 0.000 1.168 78 F CA 0.555 58.617 58.000 0.104 0.000 1.433 78 F CB -0.852 38.193 39.000 0.075 0.000 1.115 78 F HN -0.025 nan 8.300 nan 0.000 0.582 79 E N 0.421 120.696 120.200 0.124 0.000 2.268 79 E HA -0.115 4.235 4.350 0.000 0.000 0.195 79 E C 0.569 177.170 176.600 0.001 0.000 0.995 79 E CA 0.325 56.766 56.400 0.068 0.000 0.836 79 E CB -0.103 29.631 29.700 0.056 0.000 0.763 79 E HN 0.289 nan 8.360 nan 0.000 0.491 80 R N 0.258 120.716 120.500 -0.070 0.000 3.656 80 R HA -0.176 4.164 4.340 0.000 0.000 0.297 80 R C -0.211 176.054 176.300 -0.058 0.000 1.166 80 R CA 0.740 56.639 56.100 -0.336 0.000 0.799 80 R CB -2.512 27.532 30.300 -0.426 0.000 1.285 80 R HN 0.341 nan 8.270 nan 0.000 0.477 81 I N -3.271 117.333 120.570 0.057 0.000 2.603 81 I HA 0.669 4.839 4.170 0.000 0.000 0.300 81 I C -2.401 173.742 176.117 0.043 0.000 1.017 81 I CA -3.187 58.129 61.300 0.027 0.000 1.098 81 I CB 1.963 39.964 38.000 0.002 0.000 1.279 81 I HN -0.314 nan 8.210 nan 0.000 0.437 82 P HA 0.117 nan 4.420 nan 0.000 0.268 82 P C -0.323 176.963 177.300 -0.024 0.000 1.205 82 P CA -0.042 62.895 63.100 -0.272 0.000 0.771 82 P CB 0.612 32.036 31.700 -0.460 0.000 0.858 83 A N 3.075 125.939 122.820 0.074 0.000 2.466 83 A HA 0.111 4.432 4.320 0.000 0.000 0.238 83 A C -0.573 177.044 177.584 0.056 0.000 1.074 83 A CA 0.216 52.313 52.037 0.099 0.000 0.774 83 A CB -0.455 18.626 19.000 0.135 0.000 1.015 83 A HN 0.515 nan 8.150 nan 0.000 0.498 84 Y N 1.301 121.604 120.300 0.005 0.000 2.313 84 Y HA 0.485 5.035 4.550 0.000 0.000 0.332 84 Y C 0.328 176.222 175.900 -0.011 0.000 1.071 84 Y CA 0.095 58.186 58.100 -0.014 0.000 1.169 84 Y CB 1.192 39.643 38.460 -0.014 0.000 1.192 84 Y HN 0.651 nan 8.280 nan 0.000 0.487 85 S N 2.994 118.789 115.700 0.159 0.000 2.632 85 S HA 0.791 5.261 4.470 0.000 0.000 0.289 85 S C -1.520 173.152 174.600 0.119 0.000 1.115 85 S CA -0.851 57.427 58.200 0.131 0.000 0.889 85 S CB 1.993 65.219 63.200 0.044 0.000 1.116 85 S HN 0.350 nan 8.310 nan 0.000 0.486 86 V N 2.239 122.194 119.914 0.069 0.000 2.525 86 V HA 0.363 4.483 4.120 0.000 0.000 0.299 86 V C -1.472 174.635 176.094 0.021 0.000 1.034 86 V CA -0.734 61.570 62.300 0.007 0.000 0.863 86 V CB 1.318 33.114 31.823 -0.045 0.000 0.999 86 V HN 0.887 nan 8.190 nan 0.000 0.423 87 Y N 6.021 126.283 120.300 -0.064 0.000 2.350 87 Y HA 0.688 5.238 4.550 0.000 0.000 0.340 87 Y C -0.641 175.235 175.900 -0.040 0.000 1.006 87 Y CA -0.545 57.525 58.100 -0.050 0.000 1.166 87 Y CB 0.950 39.374 38.460 -0.060 0.000 1.168 87 Y HN 0.553 nan 8.280 nan 0.000 0.502 88 L N 9.955 130.663 121.223 -0.858 0.000 2.325 88 L HA 0.490 4.831 4.340 0.000 0.000 0.281 88 L C -2.217 174.095 176.870 -0.929 0.000 1.004 88 L CA -2.213 52.222 54.840 -0.674 0.000 0.823 88 L CB 1.703 43.563 42.059 -0.331 0.000 1.236 88 L HN 0.537 nan 8.230 nan 0.000 0.415 89 P HA 0.065 nan 4.420 nan 0.000 0.275 89 P C -0.674 176.509 177.300 -0.194 0.000 1.266 89 P CA -0.267 62.664 63.100 -0.281 0.000 0.793 89 P CB 0.342 32.023 31.700 -0.032 0.000 1.074 90 H N -0.663 118.292 119.070 -0.192 0.000 2.660 90 H HA 0.052 4.608 4.556 0.000 0.000 0.374 90 H C 0.278 175.506 175.328 -0.167 0.000 1.291 90 H CA 0.237 56.151 56.048 -0.223 0.000 1.437 90 H CB -0.519 29.053 29.762 -0.315 0.000 1.509 90 H HN 0.525 nan 8.280 nan 0.000 0.614 91 H N -1.024 117.953 119.070 -0.156 0.000 2.791 91 H HA -0.136 4.421 4.556 0.001 0.000 0.302 91 H C -0.668 174.568 175.328 -0.152 0.000 1.198 91 H CA 1.126 57.076 56.048 -0.163 0.000 1.145 91 H CB -2.467 27.151 29.762 -0.240 0.000 1.385 91 H HN 0.652 nan 8.280 nan 0.000 0.409 92 T N 0.597 115.132 114.554 -0.032 0.000 2.934 92 T HA 0.248 4.598 4.350 0.000 0.000 0.328 92 T C 0.396 175.059 174.700 -0.061 0.000 1.068 92 T CA -0.682 61.380 62.100 -0.065 0.000 1.018 92 T CB 2.012 70.816 68.868 -0.108 0.000 1.009 92 T HN 0.327 nan 8.240 nan 0.000 0.471 93 E N 2.328 122.495 120.200 -0.055 0.000 2.384 93 E HA 0.510 4.860 4.350 0.000 0.000 0.266 93 E C -0.254 176.295 176.600 -0.085 0.000 1.012 93 E CA -0.286 56.077 56.400 -0.062 0.000 0.901 93 E CB 0.529 30.196 29.700 -0.056 0.000 0.967 93 E HN 0.742 nan 8.360 nan 0.000 0.435 97 T N 3.769 118.297 114.554 -0.043 0.000 2.792 97 T HA 0.697 5.047 4.350 0.000 0.000 0.280 97 T C 0.279 174.975 174.700 -0.006 0.000 0.990 97 T CA 0.038 62.125 62.100 -0.021 0.000 0.960 97 T CB 1.745 70.621 68.868 0.012 0.000 0.939 97 T HN 1.160 nan 8.240 nan 0.000 0.439 98 A N 3.024 125.841 122.820 -0.005 0.000 2.484 98 A HA 0.274 4.594 4.320 0.000 0.000 0.268 98 A C 1.323 178.919 177.584 0.020 0.000 1.114 98 A CA -0.202 51.841 52.037 0.010 0.000 0.780 98 A CB 0.123 19.134 19.000 0.018 0.000 1.061 98 A HN 0.828 nan 8.150 nan 0.000 0.505 99 E N 1.398 121.612 120.200 0.024 0.000 2.122 99 E HA -0.022 4.329 4.350 0.000 0.000 0.190 99 E C 1.146 177.761 176.600 0.025 0.000 0.977 99 E CA 1.603 58.019 56.400 0.028 0.000 0.820 99 E CB -0.014 29.706 29.700 0.033 0.000 0.770 99 E HN 0.869 nan 8.360 nan 0.000 0.462 100 T N -1.113 113.456 114.554 0.026 0.000 2.905 100 T HA 0.322 4.672 4.350 0.000 0.000 0.283 100 T C -0.150 174.572 174.700 0.035 0.000 1.031 100 T CA -0.995 61.122 62.100 0.030 0.000 1.002 100 T CB 1.553 70.440 68.868 0.031 0.000 1.200 100 T HN -0.342 nan 8.240 nan 0.000 0.560 101 D N 0.663 121.087 120.400 0.041 0.000 2.525 101 D HA 0.382 5.022 4.640 0.000 0.000 0.235 101 D C -0.530 175.803 176.300 0.056 0.000 1.137 101 D CA 0.240 54.271 54.000 0.051 0.000 0.868 101 D CB 0.460 41.293 40.800 0.055 0.000 1.180 101 D HN 0.519 nan 8.370 nan 0.000 0.465 102 L N 1.486 122.748 121.223 0.065 0.000 2.436 102 L HA 0.302 4.642 4.340 0.000 0.000 0.268 102 L C -0.856 176.070 176.870 0.093 0.000 0.974 102 L CA -0.469 54.412 54.840 0.069 0.000 0.826 102 L CB 2.081 44.171 42.059 0.051 0.000 1.291 102 L HN 0.296 nan 8.230 nan 0.000 0.406 103 E N 4.762 125.021 120.200 0.099 0.000 2.101 103 E HA 0.398 4.749 4.350 0.000 0.000 0.260 103 E C -1.814 174.852 176.600 0.109 0.000 0.897 103 E CA -0.702 55.771 56.400 0.122 0.000 0.744 103 E CB 1.223 31.012 29.700 0.148 0.000 1.140 103 E HN 0.610 nan 8.360 nan 0.000 0.419 104 L N 4.083 125.370 121.223 0.107 0.000 2.305 104 L HA 0.617 4.957 4.340 0.000 0.000 0.284 104 L C -1.005 175.889 176.870 0.040 0.000 1.013 104 L CA -0.335 54.556 54.840 0.085 0.000 0.819 104 L CB 1.466 43.575 42.059 0.084 0.000 1.227 104 L HN 0.529 nan 8.230 nan 0.000 0.417 105 A N 5.184 128.006 122.820 0.003 0.000 2.274 105 A HA 0.687 5.007 4.320 0.000 0.000 0.309 105 A C -0.905 176.636 177.584 -0.072 0.000 1.226 105 A CA -0.498 51.462 52.037 -0.129 0.000 0.853 105 A CB 0.806 19.831 19.000 0.042 0.000 1.146 105 A HN 0.523 nan 8.150 nan 0.000 0.518 106 V N 2.947 122.766 119.914 -0.158 0.000 2.313 106 V HA 0.194 4.314 4.120 0.000 0.000 0.278 106 V C -0.286 175.780 176.094 -0.047 0.000 1.017 106 V CA -0.628 61.647 62.300 -0.043 0.000 0.823 106 V CB 0.478 32.326 31.823 0.041 0.000 1.010 106 V HN 0.957 nan 8.190 nan 0.000 0.443 107 C N 4.473 123.812 119.300 0.066 0.000 2.347 107 C HA 0.775 5.235 4.460 0.000 0.000 0.353 107 C C 0.774 175.828 174.990 0.106 0.000 1.273 107 C CA -0.496 58.621 59.018 0.164 0.000 1.861 107 C CB 0.092 27.940 27.740 0.180 0.000 2.420 107 C HN 0.948 nan 8.230 nan 0.000 0.542 108 S N 1.808 117.582 115.700 0.124 0.000 2.569 108 S HA 0.956 5.426 4.470 0.000 0.000 0.280 108 S C -0.843 173.824 174.600 0.111 0.000 1.111 108 S CA -0.339 57.918 58.200 0.095 0.000 0.887 108 S CB 1.934 65.187 63.200 0.088 0.000 1.095 108 S HN 1.517 nan 8.310 nan 0.000 0.476 109 A N 1.166 124.042 122.820 0.094 0.000 2.599 109 A HA 0.902 5.222 4.320 0.000 0.000 0.290 109 A C -3.406 174.239 177.584 0.102 0.000 1.101 109 A CA -1.650 50.459 52.037 0.121 0.000 0.674 109 A CB 0.382 19.450 19.000 0.113 0.000 1.277 109 A HN 0.591 nan 8.150 nan 0.000 0.419 110 P HA 0.341 nan 4.420 nan 0.000 0.264 110 P C 0.051 177.368 177.300 0.029 0.000 1.193 110 P CA 0.665 63.842 63.100 0.129 0.000 0.763 110 P CB 0.734 32.578 31.700 0.239 0.000 0.810 111 G N 1.876 110.623 108.800 -0.089 0.000 2.461 111 G HA2 0.570 4.530 3.960 0.000 0.000 0.323 111 G HA3 0.570 4.530 3.960 0.000 0.000 0.323 111 G C -0.552 173.990 174.900 -0.597 0.000 1.229 111 G CA -0.663 44.234 45.100 -0.339 0.000 0.941 111 G HN 0.527 nan 8.290 nan 0.000 0.477 112 F N -0.060 119.622 119.950 -0.446 0.000 3.064 112 F HA 0.423 4.951 4.527 0.000 0.000 0.384 112 F C 0.839 176.596 175.800 -0.072 0.000 1.083 112 F CA -0.366 57.369 58.000 -0.442 0.000 1.037 112 F CB -0.079 38.810 39.000 -0.185 0.000 1.322 112 F HN 0.677 nan 8.300 nan 0.000 0.535 113 G N 1.435 110.212 108.800 -0.038 0.000 2.543 113 G HA2 0.510 4.471 3.960 0.000 0.000 0.267 113 G HA3 0.510 4.471 3.960 0.000 0.000 0.267 113 G C -0.134 174.891 174.900 0.207 0.000 1.406 113 G CA -0.049 45.133 45.100 0.137 0.000 1.048 113 G HN 0.429 nan 8.290 nan 0.000 0.548 114 E N -0.763 119.516 120.200 0.132 0.000 3.306 114 E HA 0.258 4.608 4.350 0.000 0.000 0.197 114 E C -0.310 176.337 176.600 0.078 0.000 0.980 114 E CA -0.405 56.057 56.400 0.104 0.000 1.259 114 E CB 0.044 29.802 29.700 0.097 0.000 1.112 114 E HN 0.200 nan 8.360 nan 0.000 0.458 115 L N 2.528 123.806 121.223 0.092 0.000 2.439 115 L HA 0.299 4.639 4.340 0.000 0.000 0.269 115 L C -1.699 175.256 176.870 0.143 0.000 1.179 115 L CA -1.682 53.212 54.840 0.090 0.000 0.828 115 L CB 0.066 42.158 42.059 0.054 0.000 1.106 115 L HN 0.149 nan 8.230 nan 0.000 0.467 116 P HA 0.134 nan 4.420 nan 0.000 0.278 116 P C -0.622 176.790 177.300 0.187 0.000 1.258 116 P CA -0.490 62.678 63.100 0.113 0.000 0.811 116 P CB 0.931 32.676 31.700 0.074 0.000 1.063 117 V N 1.878 121.864 119.914 0.119 0.000 2.694 117 V HA 0.043 4.163 4.120 0.000 0.000 0.306 117 V C 1.150 177.324 176.094 0.133 0.000 1.054 117 V CA 0.729 63.097 62.300 0.113 0.000 1.161 117 V CB -0.759 31.127 31.823 0.105 0.000 0.916 117 V HN 0.746 nan 8.190 nan 0.000 0.490 118 R N 4.292 124.862 120.500 0.118 0.000 2.668 118 R HA 0.676 5.016 4.340 0.000 0.000 0.272 118 R C -1.803 174.448 176.300 -0.081 0.000 1.019 118 R CA -1.049 55.063 56.100 0.019 0.000 0.894 118 R CB 1.239 31.559 30.300 0.034 0.000 1.228 118 R HN 0.477 nan 8.270 nan 0.000 0.460 119 L N 3.092 124.211 121.223 -0.173 0.000 2.371 119 L HA 0.437 4.777 4.340 0.000 0.000 0.272 119 L C -0.046 176.734 176.870 -0.150 0.000 1.124 119 L CA -0.676 54.060 54.840 -0.173 0.000 0.816 119 L CB 1.046 43.006 42.059 -0.165 0.000 1.129 119 L HN 0.552 nan 8.230 nan 0.000 0.448 120 I N 2.401 122.855 120.570 -0.194 0.000 2.555 120 I HA 0.136 4.306 4.170 0.000 0.000 0.275 120 I C 0.413 176.213 176.117 -0.528 0.000 1.082 120 I CA -0.211 60.939 61.300 -0.251 0.000 1.167 120 I CB 1.026 38.939 38.000 -0.145 0.000 1.312 120 I HN 0.651 nan 8.210 nan 0.000 0.493 121 S N 4.398 119.709 115.700 -0.648 0.000 2.614 121 S HA 0.364 4.835 4.470 0.000 0.000 0.265 121 S C -1.761 172.540 174.600 -0.498 0.000 1.303 121 S CA -0.990 56.635 58.200 -0.957 0.000 1.000 121 S CB 1.016 63.859 63.200 -0.595 0.000 0.935 121 S HN 0.237 nan 8.310 nan 0.000 0.551 122 P HA -0.098 nan 4.420 nan 0.000 0.217 122 P C 1.678 178.865 177.300 -0.190 0.000 1.148 122 P CA 0.986 63.950 63.100 -0.226 0.000 0.828 122 P CB -0.102 31.517 31.700 -0.134 0.000 0.783 123 Q N -0.906 118.797 119.800 -0.162 0.000 2.297 123 Q HA -0.128 4.212 4.340 0.000 0.000 0.204 123 Q C 1.776 177.704 176.000 -0.121 0.000 0.962 123 Q CA 1.176 56.909 55.803 -0.117 0.000 0.879 123 Q CB -1.018 27.671 28.738 -0.081 0.000 0.947 123 Q HN 0.522 nan 8.270 nan 0.000 0.462 124 E N -0.405 119.703 120.200 -0.153 0.000 2.489 124 E HA 0.070 4.420 4.350 0.000 0.000 0.193 124 E C -0.205 176.319 176.600 -0.127 0.000 1.057 124 E CA -0.050 56.270 56.400 -0.132 0.000 0.866 124 E CB 0.576 30.189 29.700 -0.146 0.000 0.916 124 E HN 0.194 nan 8.360 nan 0.000 0.500 125 V N 1.279 121.105 119.914 -0.146 0.000 2.406 125 V HA 0.358 4.478 4.120 0.000 0.000 0.272 125 V C 0.823 176.853 176.094 -0.107 0.000 1.043 125 V CA -0.619 61.600 62.300 -0.134 0.000 0.915 125 V CB 1.147 32.863 31.823 -0.177 0.000 0.988 125 V HN 0.176 nan 8.190 nan 0.000 0.466 126 G N 4.150 112.907 108.800 -0.071 0.000 2.378 126 G HA2 0.437 4.397 3.960 0.000 0.000 0.255 126 G HA3 0.437 4.397 3.960 0.000 0.000 0.255 126 G C -0.555 174.335 174.900 -0.017 0.000 1.270 126 G CA -0.153 44.922 45.100 -0.041 0.000 0.876 126 G HN 0.559 nan 8.290 nan 0.000 0.521 127 V N 3.424 123.335 119.914 -0.005 0.000 2.417 127 V HA 0.526 4.646 4.120 0.000 0.000 0.291 127 V C -0.053 176.053 176.094 0.019 0.000 1.024 127 V CA -0.556 61.765 62.300 0.036 0.000 0.861 127 V CB 1.169 33.001 31.823 0.015 0.000 0.985 127 V HN 0.999 nan 8.190 nan 0.000 0.436 128 E N 2.960 123.146 120.200 -0.024 0.000 2.383 128 E HA 0.615 4.965 4.350 0.000 0.000 0.275 128 E C -1.613 174.907 176.600 -0.134 0.000 0.918 128 E CA -1.029 55.366 56.400 -0.008 0.000 0.764 128 E CB 2.016 31.742 29.700 0.043 0.000 1.252 128 E HN 0.700 nan 8.360 nan 0.000 0.449 129 H N 0.838 119.937 119.070 0.048 0.000 2.673 129 H HA 0.363 4.919 4.556 0.000 0.000 0.293 129 H C -0.733 174.625 175.328 0.050 0.000 1.065 129 H CA -0.637 55.434 56.048 0.040 0.000 1.236 129 H CB 1.131 30.912 29.762 0.031 0.000 1.389 129 H HN 0.277 nan 8.280 nan 0.000 0.481 130 R N 2.386 122.963 120.500 0.127 0.000 2.368 130 R HA 0.527 4.867 4.340 0.000 0.000 0.302 130 R C 0.154 176.521 176.300 0.112 0.000 1.002 130 R CA 0.351 56.522 56.100 0.119 0.000 0.929 130 R CB 0.750 31.117 30.300 0.112 0.000 1.073 130 R HN 0.904 nan 8.270 nan 0.000 0.464 134 R N 1.060 121.589 120.500 0.047 0.000 2.319 134 R HA 0.178 4.519 4.340 0.000 0.000 0.204 134 R C 0.896 177.238 176.300 0.071 0.000 0.954 134 R CA 0.271 56.399 56.100 0.047 0.000 1.066 134 R CB -0.220 30.099 30.300 0.032 0.000 0.991 134 R HN 0.359 nan 8.270 nan 0.000 0.486 135 N N 0.597 119.348 118.700 0.086 0.000 2.177 135 N HA 0.015 4.756 4.740 0.000 0.000 0.218 135 N C -0.491 175.082 175.510 0.106 0.000 1.182 135 N CA 0.013 53.136 53.050 0.121 0.000 0.882 135 N CB 0.589 39.143 38.487 0.112 0.000 1.052 135 N HN 0.135 nan 8.380 nan 0.000 0.519 136 Q N 0.605 120.458 119.800 0.089 0.000 2.314 136 Q HA 0.365 4.706 4.340 0.000 0.000 0.258 136 Q C -0.550 175.508 176.000 0.097 0.000 0.954 136 Q CA 0.366 56.225 55.803 0.093 0.000 0.890 136 Q CB 0.994 29.782 28.738 0.084 0.000 1.210 136 Q HN 0.107 nan 8.270 nan 0.000 0.410 137 R N 1.257 121.814 120.500 0.096 0.000 2.643 137 R HA 0.404 4.744 4.340 0.000 0.000 0.269 137 R C -1.699 174.612 176.300 0.017 0.000 1.037 137 R CA -0.939 55.197 56.100 0.060 0.000 0.894 137 R CB 1.166 31.491 30.300 0.040 0.000 1.238 137 R HN 0.407 nan 8.270 nan 0.000 0.459 138 L N 2.395 123.596 121.223 -0.037 0.000 2.276 138 L HA 0.540 4.880 4.340 0.000 0.000 0.286 138 L C -1.142 175.612 176.870 -0.193 0.000 1.061 138 L CA -0.265 54.455 54.840 -0.201 0.000 0.807 138 L CB 1.617 43.526 42.059 -0.249 0.000 1.177 138 L HN 0.424 nan 8.230 nan 0.000 0.429 139 V N 5.125 124.913 119.914 -0.211 0.000 2.540 139 V HA 0.414 4.534 4.120 0.000 0.000 0.302 139 V C -0.648 175.427 176.094 -0.032 0.000 1.035 139 V CA -0.583 61.624 62.300 -0.155 0.000 0.873 139 V CB 1.554 33.324 31.823 -0.088 0.000 0.992 139 V HN 0.751 nan 8.190 nan 0.000 0.428 140 H N 3.012 122.040 119.070 -0.070 0.000 2.718 140 H HA 0.346 4.903 4.556 0.000 0.000 0.295 140 H C -0.308 174.962 175.328 -0.096 0.000 1.051 140 H CA -0.586 55.428 56.048 -0.057 0.000 1.260 140 H CB 0.836 30.604 29.762 0.009 0.000 1.403 140 H HN 0.653 nan 8.280 nan 0.000 0.488 141 N N 4.180 122.887 118.700 0.013 0.000 2.739 141 N HA 0.052 4.793 4.740 0.000 0.000 0.266 141 N C 0.872 176.342 175.510 -0.066 0.000 1.168 141 N CA -0.143 52.869 53.050 -0.064 0.000 1.055 141 N CB 0.630 39.073 38.487 -0.073 0.000 1.393 141 N HN 0.572 nan 8.380 nan 0.000 0.514 142 I N 0.484 121.017 120.570 -0.060 0.000 2.142 142 I HA -0.191 3.979 4.170 0.000 0.000 0.240 142 I C 0.556 176.628 176.117 -0.075 0.000 1.078 142 I CA 1.163 62.429 61.300 -0.058 0.000 1.343 142 I CB 0.176 38.159 38.000 -0.029 0.000 1.046 142 I HN 0.379 nan 8.210 nan 0.000 0.405 143 L N 2.060 123.229 121.223 -0.090 0.000 2.470 143 L HA 0.464 4.804 4.340 0.000 0.000 0.256 143 L C -2.682 174.114 176.870 -0.123 0.000 1.357 143 L CA -1.920 52.862 54.840 -0.097 0.000 0.902 143 L CB 0.649 42.669 42.059 -0.065 0.000 1.121 143 L HN -0.195 nan 8.230 nan 0.000 0.507 144 P HA 0.262 nan 4.420 nan 0.000 0.279 144 P C -0.146 177.097 177.300 -0.094 0.000 1.276 144 P CA -0.143 62.883 63.100 -0.124 0.000 0.801 144 P CB 0.816 32.459 31.700 -0.094 0.000 1.127 145 D N -1.527 118.836 120.400 -0.062 0.000 2.371 145 D HA -0.114 4.527 4.640 0.000 0.000 0.221 145 D C 1.215 177.496 176.300 -0.032 0.000 0.986 145 D CA 0.884 54.863 54.000 -0.035 0.000 0.899 145 D CB -0.836 39.971 40.800 0.012 0.000 0.902 145 D HN 0.283 nan 8.370 nan 0.000 0.530 146 S N -1.733 113.947 115.700 -0.033 0.000 2.558 146 S HA 0.027 4.498 4.470 0.000 0.000 0.217 146 S C 0.908 175.475 174.600 -0.055 0.000 0.975 146 S CA -0.250 57.930 58.200 -0.033 0.000 0.912 146 S CB 0.005 63.193 63.200 -0.020 0.000 0.776 146 S HN 0.052 nan 8.310 nan 0.000 0.526 147 Q N 0.588 120.341 119.800 -0.077 0.000 2.297 147 Q HA 0.544 4.884 4.340 0.000 0.000 0.269 147 Q C -0.691 175.227 176.000 -0.135 0.000 1.051 147 Q CA -0.642 55.098 55.803 -0.105 0.000 0.869 147 Q CB 1.597 30.266 28.738 -0.115 0.000 1.346 147 Q HN 0.340 nan 8.270 nan 0.000 0.457 148 L N 0.923 122.038 121.223 -0.180 0.000 2.305 148 L HA 0.695 5.035 4.340 0.000 0.000 0.281 148 L C -0.075 176.567 176.870 -0.381 0.000 1.085 148 L CA -0.328 54.375 54.840 -0.228 0.000 0.813 148 L CB 0.902 42.834 42.059 -0.212 0.000 1.157 148 L HN 0.652 nan 8.230 nan 0.000 0.436 149 A N 2.191 124.828 122.820 -0.306 0.000 2.586 149 A HA 0.370 4.691 4.320 0.000 0.000 0.291 149 A C -0.456 177.021 177.584 -0.178 0.000 1.062 149 A CA -0.617 51.225 52.037 -0.325 0.000 0.666 149 A CB 1.102 19.970 19.000 -0.221 0.000 1.281 149 A HN 0.619 nan 8.150 nan 0.000 0.421 150 D N 0.267 120.555 120.400 -0.186 0.000 2.123 150 D HA 0.041 4.681 4.640 0.000 0.000 0.200 150 D C 1.426 177.650 176.300 -0.126 0.000 0.976 150 D CA 2.310 56.097 54.000 -0.354 0.000 0.831 150 D CB 0.282 40.532 40.800 -0.917 0.000 0.974 150 D HN 0.376 nan 8.370 nan 0.000 0.469 151 S N -1.158 114.499 115.700 -0.073 0.000 3.084 151 S HA 0.209 4.679 4.470 0.000 0.000 0.262 151 S C 0.680 175.265 174.600 -0.026 0.000 1.081 151 S CA -0.466 57.737 58.200 0.004 0.000 0.855 151 S CB 0.991 64.234 63.200 0.071 0.000 0.857 151 S HN 0.002 nan 8.310 nan 0.000 0.449 152 L N 3.001 124.219 121.223 -0.009 0.000 2.499 152 L HA 0.253 4.593 4.340 0.000 0.000 0.273 152 L C -0.917 175.913 176.870 -0.066 0.000 1.195 152 L CA 0.398 55.227 54.840 -0.017 0.000 0.882 152 L CB 0.176 42.261 42.059 0.045 0.000 1.133 152 L HN 0.204 nan 8.230 nan 0.000 0.483 153 L N 4.702 125.860 121.223 -0.109 0.000 2.376 153 L HA 0.623 4.963 4.340 0.000 0.000 0.275 153 L C -0.864 175.899 176.870 -0.179 0.000 0.987 153 L CA -0.615 54.125 54.840 -0.166 0.000 0.828 153 L CB 2.056 43.977 42.059 -0.230 0.000 1.249 153 L HN 0.247 nan 8.230 nan 0.000 0.409 154 V N 3.696 123.511 119.914 -0.164 0.000 2.709 154 V HA 0.676 4.797 4.120 0.000 0.000 0.308 154 V C -0.701 175.286 176.094 -0.179 0.000 1.062 154 V CA -0.714 61.499 62.300 -0.145 0.000 0.901 154 V CB 2.676 34.467 31.823 -0.054 0.000 1.003 154 V HN 0.469 nan 8.190 nan 0.000 0.425 155 V N 4.327 124.115 119.914 -0.211 0.000 3.012 155 V HA 0.727 4.847 4.120 0.000 0.000 0.307 155 V C -1.295 174.657 176.094 -0.237 0.000 1.166 155 V CA -0.317 61.849 62.300 -0.223 0.000 0.974 155 V CB 2.396 34.029 31.823 -0.318 0.000 1.040 155 V HN 1.102 nan 8.190 nan 0.000 0.428 156 E N 4.658 124.724 120.200 -0.224 0.000 2.266 156 E HA 0.813 5.164 4.350 0.000 0.000 0.268 156 E C -1.861 174.421 176.600 -0.529 0.000 0.879 156 E CA -0.850 55.298 56.400 -0.419 0.000 0.762 156 E CB 2.543 32.091 29.700 -0.254 0.000 1.199 156 E HN 0.416 nan 8.360 nan 0.000 0.422 157 V N 2.587 121.957 119.914 -0.907 0.000 2.709 157 V HA 0.310 4.430 4.120 0.000 0.000 0.308 157 V C -1.509 173.987 176.094 -0.998 0.000 1.062 157 V CA -0.883 60.917 62.300 -0.833 0.000 0.901 157 V CB 1.348 32.647 31.823 -0.873 0.000 1.003 157 V HN 0.633 nan 8.190 nan 0.000 0.425 158 Y N 1.520 121.537 120.300 -0.472 0.000 2.331 158 Y HA 0.623 5.174 4.550 0.000 0.000 0.338 158 Y C 0.590 176.395 175.900 -0.158 0.000 0.976 158 Y CA -0.638 57.307 58.100 -0.258 0.000 1.137 158 Y CB 1.984 40.353 38.460 -0.150 0.000 1.172 158 Y HN 0.550 nan 8.280 nan 0.000 0.478 159 T N 3.956 118.529 114.554 0.032 0.000 2.833 159 T HA 0.292 4.643 4.350 0.000 0.000 0.297 159 T C -0.388 174.393 174.700 0.136 0.000 1.015 159 T CA -1.076 61.071 62.100 0.079 0.000 0.963 159 T CB 0.207 69.129 68.868 0.090 0.000 0.955 159 T HN 0.389 nan 8.240 nan 0.000 0.449 160 N N 2.111 120.886 118.700 0.125 0.000 2.525 160 N HA 0.431 5.171 4.740 0.000 0.000 0.271 160 N C 0.325 175.890 175.510 0.090 0.000 1.194 160 N CA -0.424 52.697 53.050 0.118 0.000 0.964 160 N CB 0.585 39.127 38.487 0.093 0.000 1.126 160 N HN 0.838 nan 8.380 nan 0.000 0.452 161 A N 0.723 123.590 122.820 0.079 0.000 2.591 161 A HA 0.361 4.681 4.320 0.000 0.000 0.244 161 A C 1.453 179.048 177.584 0.019 0.000 1.031 161 A CA 1.009 53.074 52.037 0.047 0.000 0.767 161 A CB -0.947 18.056 19.000 0.005 0.000 0.942 161 A HN 0.962 nan 8.150 nan 0.000 0.514 162 G N 1.417 110.223 108.800 0.010 0.000 2.493 162 G HA2 0.185 4.146 3.960 0.000 0.000 0.206 162 G HA3 0.185 4.146 3.960 0.000 0.000 0.206 162 G C 0.793 175.690 174.900 -0.004 0.000 1.109 162 G CA 0.409 45.504 45.100 -0.008 0.000 0.689 162 G HN 2.289 nan 8.290 nan 0.000 0.516 163 A N 0.687 123.521 122.820 0.023 0.000 2.406 163 A HA 0.610 4.931 4.320 0.000 0.000 0.243 163 A C 0.584 178.183 177.584 0.024 0.000 1.082 163 A CA 1.552 53.609 52.037 0.033 0.000 0.786 163 A CB 0.178 19.216 19.000 0.064 0.000 1.029 163 A HN 1.025 nan 8.150 nan 0.000 0.495 164 T N 1.513 116.075 114.554 0.013 0.000 2.824 164 T HA 0.601 4.952 4.350 0.000 0.000 0.280 164 T C 0.240 175.029 174.700 0.147 0.000 0.995 164 T CA -0.033 62.055 62.100 -0.021 0.000 1.009 164 T CB 1.157 69.839 68.868 -0.311 0.000 0.955 164 T HN 1.018 nan 8.240 nan 0.000 0.452 165 S N 0.926 116.752 115.700 0.211 0.000 2.745 165 S HA 0.702 5.173 4.470 0.000 0.000 0.306 165 S C 0.102 174.925 174.600 0.373 0.000 1.137 165 S CA -0.858 57.531 58.200 0.315 0.000 0.900 165 S CB 1.281 64.671 63.200 0.317 0.000 1.176 165 S HN 0.684 nan 8.310 nan 0.000 0.520 166 S N 0.342 116.284 115.700 0.403 0.000 3.581 166 S HA -0.108 4.362 4.470 0.000 0.000 0.354 166 S C -0.618 174.155 174.600 0.288 0.000 1.059 166 S CA 1.177 59.581 58.200 0.339 0.000 1.060 166 S CB -1.808 61.571 63.200 0.297 0.000 0.908 166 S HN 0.767 nan 8.310 nan 0.000 0.475 167 W N 0.623 121.983 121.300 0.100 0.000 3.425 167 W HA 0.397 5.058 4.660 0.000 0.000 0.318 167 W C -3.283 173.254 176.519 0.030 0.000 1.201 167 W CA -2.015 55.348 57.345 0.030 0.000 1.212 167 W CB 1.202 30.654 29.460 -0.012 0.000 1.355 167 W HN -0.092 nan 8.180 nan 0.000 0.515 168 P HA 0.073 nan 4.420 nan 0.000 0.265 168 P C -0.206 176.839 177.300 -0.425 0.000 1.187 168 P CA 0.517 62.860 63.100 -1.262 0.000 0.766 168 P CB 0.468 31.516 31.700 -1.087 0.000 0.820 169 A N 3.595 126.143 122.820 -0.454 0.000 2.567 169 A HA 0.155 4.475 4.320 0.000 0.000 0.240 169 A C 0.638 178.294 177.584 0.119 0.000 1.053 169 A CA 0.479 52.482 52.037 -0.058 0.000 0.755 169 A CB -0.718 18.252 19.000 -0.050 0.000 0.978 169 A HN 0.793 nan 8.150 nan 0.000 0.507 173 D N -0.417 120.006 120.400 0.039 0.000 2.520 173 D HA 0.187 4.827 4.640 0.000 0.000 0.223 173 D C -0.235 176.201 176.300 0.227 0.000 1.186 173 D CA -0.104 53.937 54.000 0.068 0.000 0.821 173 D CB 0.788 41.578 40.800 -0.017 0.000 1.072 173 D HN 0.321 nan 8.370 nan 0.000 0.518 174 T N 0.260 114.910 114.554 0.161 0.000 2.993 174 T HA 0.667 5.017 4.350 0.000 0.000 0.312 174 T C -0.731 174.025 174.700 0.094 0.000 1.115 174 T CA -0.705 61.470 62.100 0.126 0.000 1.027 174 T CB 1.841 70.743 68.868 0.055 0.000 1.116 174 T HN 0.198 nan 8.240 nan 0.000 0.464 175 A N 2.646 125.510 122.820 0.073 0.000 2.444 175 A HA 0.547 4.868 4.320 0.000 0.000 0.287 175 A C -0.032 177.556 177.584 0.008 0.000 1.195 175 A CA -0.245 51.812 52.037 0.033 0.000 0.858 175 A CB -0.458 18.551 19.000 0.015 0.000 1.117 175 A HN 0.696 nan 8.150 nan 0.000 0.521 176 V N 4.160 124.071 119.914 -0.005 0.000 2.340 176 V HA 0.160 4.280 4.120 0.000 0.000 0.277 176 V C 0.368 176.442 176.094 -0.034 0.000 1.017 176 V CA -0.662 61.627 62.300 -0.018 0.000 0.820 176 V CB 0.989 32.800 31.823 -0.020 0.000 1.028 176 V HN 1.016 nan 8.190 nan 0.000 0.436 177 E N 3.257 123.439 120.200 -0.031 0.000 2.820 177 E HA 0.148 4.498 4.350 0.000 0.000 0.251 177 E C 1.419 177.989 176.600 -0.051 0.000 0.944 177 E CA 1.300 57.678 56.400 -0.038 0.000 0.955 177 E CB 0.238 29.920 29.700 -0.030 0.000 0.904 177 E HN 1.100 nan 8.360 nan 0.000 0.513 178 G N 3.817 112.578 108.800 -0.065 0.000 2.184 178 G HA2 -0.303 3.657 3.960 0.000 0.000 0.264 178 G HA3 -0.303 3.657 3.960 0.000 0.000 0.264 178 G C 0.773 175.604 174.900 -0.116 0.000 0.975 178 G CA 0.650 45.699 45.100 -0.084 0.000 0.642 178 G HN 0.597 nan 8.290 nan 0.000 0.536 179 Q N -0.772 118.958 119.800 -0.117 0.000 2.534 179 Q HA 0.287 4.627 4.340 0.000 0.000 0.252 179 Q C 0.761 176.650 176.000 -0.185 0.000 0.850 179 Q CA 0.938 56.651 55.803 -0.149 0.000 0.974 179 Q CB 1.190 29.870 28.738 -0.098 0.000 1.205 179 Q HN 0.707 nan 8.270 nan 0.000 0.593 180 E N 0.511 120.638 120.200 -0.121 0.000 2.392 180 E HA 0.334 4.685 4.350 0.000 0.000 0.279 180 E C -1.415 175.164 176.600 -0.036 0.000 0.964 180 E CA -0.216 56.129 56.400 -0.092 0.000 0.777 180 E CB 2.017 31.691 29.700 -0.044 0.000 1.249 180 E HN 0.083 nan 8.360 nan 0.000 0.449 181 T N -0.298 114.255 114.554 -0.001 0.000 2.908 181 T HA 0.348 4.698 4.350 0.000 0.000 0.290 181 T C -0.784 173.977 174.700 0.102 0.000 1.034 181 T CA -0.693 61.429 62.100 0.036 0.000 1.010 181 T CB 0.848 69.719 68.868 0.004 0.000 1.068 181 T HN 0.463 nan 8.240 nan 0.000 0.481 182 Y N 2.504 122.792 120.300 -0.020 0.000 2.480 182 Y HA 0.584 5.134 4.550 0.000 0.000 0.341 182 Y C -1.077 174.777 175.900 -0.078 0.000 1.031 182 Y CA -0.834 57.254 58.100 -0.020 0.000 1.295 182 Y CB 0.102 38.540 38.460 -0.036 0.000 1.162 182 Y HN 0.596 nan 8.280 nan 0.000 0.523 183 L N 6.965 127.913 121.223 -0.459 0.000 2.482 183 L HA 0.332 4.672 4.340 0.000 0.000 0.269 183 L C -0.641 175.882 176.870 -0.578 0.000 0.967 183 L CA -0.793 53.759 54.840 -0.480 0.000 0.851 183 L CB 2.000 43.863 42.059 -0.327 0.000 1.242 183 L HN 0.628 nan 8.230 nan 0.000 0.404 184 E N 2.422 122.132 120.200 -0.818 0.000 2.398 184 E HA 0.225 4.576 4.350 0.000 0.000 0.263 184 E C -0.566 175.674 176.600 -0.601 0.000 1.046 184 E CA 0.115 55.969 56.400 -0.910 0.000 0.908 184 E CB 1.220 29.983 29.700 -1.562 0.000 0.963 184 E HN 0.405 nan 8.360 nan 0.000 0.431 185 E N 1.207 121.163 120.200 -0.406 0.000 2.292 185 E HA 0.241 4.591 4.350 0.000 0.000 0.272 185 E C -1.464 175.167 176.600 0.052 0.000 0.881 185 E CA -0.648 55.653 56.400 -0.165 0.000 0.754 185 E CB 1.410 31.089 29.700 -0.035 0.000 1.201 185 E HN 0.526 nan 8.360 nan 0.000 0.425 186 T N 0.393 114.948 114.554 0.002 0.000 2.888 186 T HA 0.519 4.869 4.350 0.000 0.000 0.284 186 T C -0.937 173.680 174.700 -0.138 0.000 1.017 186 T CA -0.559 61.566 62.100 0.042 0.000 1.022 186 T CB 0.729 69.575 68.868 -0.037 0.000 1.013 186 T HN 0.279 nan 8.240 nan 0.000 0.465 187 Y N 1.295 121.470 120.300 -0.208 0.000 2.341 187 Y HA 0.506 5.056 4.550 0.000 0.000 0.338 187 Y C -0.844 174.949 175.900 -0.178 0.000 0.965 187 Y CA -1.471 56.448 58.100 -0.301 0.000 1.108 187 Y CB 1.648 39.897 38.460 -0.353 0.000 1.180 187 Y HN 0.821 nan 8.280 nan 0.000 0.458 188 Y N 4.626 124.765 120.300 -0.269 0.000 2.402 188 Y HA 0.422 4.972 4.550 0.001 0.000 0.332 188 Y C -0.682 175.217 175.900 -0.002 0.000 0.960 188 Y CA -0.909 57.159 58.100 -0.054 0.000 1.228 188 Y CB 0.188 38.644 38.460 -0.007 0.000 1.120 188 Y HN 0.596 nan 8.280 nan 0.000 0.491 189 H N 6.308 125.267 119.070 -0.184 0.000 2.467 189 H HA 0.579 5.136 4.556 0.000 0.000 0.331 189 H C -0.333 174.784 175.328 -0.351 0.000 1.120 189 H CA -0.652 55.273 56.048 -0.204 0.000 1.270 189 H CB 1.271 31.021 29.762 -0.019 0.000 1.466 189 H HN 0.539 nan 8.280 nan 0.000 0.504 190 R N 2.279 122.638 120.500 -0.235 0.000 2.725 190 R HA 0.413 4.753 4.340 0.000 0.000 0.277 190 R C -1.251 174.889 176.300 -0.266 0.000 0.987 190 R CA -0.792 55.252 56.100 -0.092 0.000 0.901 190 R CB 1.527 31.847 30.300 0.033 0.000 1.207 190 R HN 0.391 nan 8.270 nan 0.000 0.463 191 F N 0.240 120.431 119.950 0.401 0.000 2.576 191 F HA 0.404 4.932 4.527 0.000 0.000 0.313 191 F C 0.205 175.893 175.800 -0.186 0.000 1.078 191 F CA -0.889 57.223 58.000 0.188 0.000 0.921 191 F CB 2.043 41.064 39.000 0.035 0.000 1.232 191 F HN 0.325 nan 8.300 nan 0.000 0.459 192 N N 2.549 121.046 118.700 -0.338 0.000 2.480 192 N HA 0.507 5.247 4.740 0.000 0.000 0.289 192 N C -3.129 172.326 175.510 -0.091 0.000 1.073 192 N CA -2.198 50.548 53.050 -0.507 0.000 0.885 192 N CB 2.048 39.739 38.487 -1.326 0.000 1.421 192 N HN 0.042 nan 8.380 nan 0.000 0.503 193 P HA 0.165 nan 4.420 nan 0.000 0.270 193 P C -1.915 175.495 177.300 0.182 0.000 1.223 193 P CA -0.960 62.206 63.100 0.110 0.000 0.785 193 P CB 0.424 32.218 31.700 0.156 0.000 0.923 194 P HA -0.160 nan 4.420 nan 0.000 0.222 194 P C 1.064 178.433 177.300 0.116 0.000 1.147 194 P CA 1.360 64.551 63.100 0.150 0.000 0.790 194 P CB -0.168 31.610 31.700 0.130 0.000 0.780 195 Q N 0.271 120.109 119.800 0.063 0.000 2.444 195 Q HA 0.090 4.430 4.340 0.000 0.000 0.206 195 Q C 0.860 176.654 176.000 -0.343 0.000 0.948 195 Q CA 0.410 56.209 55.803 -0.006 0.000 0.946 195 Q CB -0.866 27.913 28.738 0.069 0.000 1.027 195 Q HN 0.013 nan 8.270 nan 0.000 0.513 196 G N 1.416 109.728 108.800 -0.813 0.000 2.653 196 G HA2 0.398 4.358 3.960 0.000 0.000 0.265 196 G HA3 0.398 4.358 3.960 0.000 0.000 0.265 196 G C -0.569 173.377 174.900 -1.589 0.000 1.237 196 G CA -0.297 43.730 45.100 -1.789 0.000 0.946 196 G HN 0.415 nan 8.290 nan 0.000 0.522 197 F N -1.895 117.009 119.950 -1.743 0.000 2.686 197 F HA 0.658 5.185 4.527 0.000 0.000 0.311 197 F C -0.221 175.044 175.800 -0.892 0.000 1.128 197 F CA -1.842 55.089 58.000 -1.782 0.000 0.946 197 F CB 0.723 38.627 39.000 -1.825 0.000 1.336 197 F HN 0.763 nan 8.300 nan 0.000 0.457 198 C N 0.761 119.881 119.300 -0.300 0.000 2.973 198 C HA 0.897 5.358 4.460 0.000 0.000 0.329 198 C C -1.132 173.898 174.990 0.067 0.000 1.327 198 C CA -1.261 57.753 59.018 -0.007 0.000 1.632 198 C CB 1.463 29.342 27.740 0.232 0.000 2.098 198 C HN 1.018 nan 8.230 nan 0.000 0.469 199 L N 1.810 123.056 121.223 0.037 0.000 2.319 199 L HA 0.569 4.910 4.340 0.000 0.000 0.281 199 L C -0.296 176.555 176.870 -0.031 0.000 1.005 199 L CA 0.026 54.877 54.840 0.018 0.000 0.828 199 L CB 1.294 43.370 42.059 0.028 0.000 1.227 199 L HN 0.852 nan 8.230 nan 0.000 0.415 200 Q N 4.130 123.897 119.800 -0.055 0.000 2.316 200 Q HA 0.467 4.808 4.340 0.000 0.000 0.264 200 Q C -0.993 174.989 176.000 -0.029 0.000 0.987 200 Q CA -0.759 55.001 55.803 -0.071 0.000 0.852 200 Q CB 2.205 30.853 28.738 -0.149 0.000 1.287 200 Q HN 0.502 nan 8.270 nan 0.000 0.448 201 R N 3.292 123.804 120.500 0.020 0.000 2.437 201 R HA 0.515 4.855 4.340 0.000 0.000 0.310 201 R C -1.708 174.728 176.300 0.227 0.000 0.955 201 R CA -0.490 55.670 56.100 0.100 0.000 0.851 201 R CB 1.496 31.840 30.300 0.074 0.000 1.161 201 R HN 0.475 nan 8.270 nan 0.000 0.446 202 V N 6.402 126.441 119.914 0.208 0.000 2.357 202 V HA 0.437 4.557 4.120 0.000 0.000 0.284 202 V C -1.179 175.094 176.094 0.297 0.000 1.018 202 V CA -0.603 61.818 62.300 0.202 0.000 0.841 202 V CB 0.830 32.707 31.823 0.090 0.000 0.991 202 V HN 0.761 nan 8.190 nan 0.000 0.437 203 Y N 1.844 122.217 120.300 0.122 0.000 2.581 203 Y HA 0.818 5.368 4.550 0.000 0.000 0.337 203 Y C -0.180 175.809 175.900 0.149 0.000 1.108 203 Y CA -1.213 56.969 58.100 0.136 0.000 1.033 203 Y CB 1.198 39.755 38.460 0.163 0.000 1.318 203 Y HN 0.569 nan 8.280 nan 0.000 0.459 204 T N -1.649 113.004 114.554 0.166 0.000 2.944 204 T HA 0.271 4.621 4.350 0.000 0.000 0.284 204 T C 0.319 175.174 174.700 0.257 0.000 1.010 204 T CA -0.357 61.773 62.100 0.050 0.000 1.025 204 T CB 1.469 70.356 68.868 0.031 0.000 1.079 204 T HN 0.717 nan 8.240 nan 0.000 0.516 205 D N 1.112 121.655 120.400 0.239 0.000 2.116 205 D HA -0.152 4.489 4.640 0.000 0.000 0.193 205 D C 1.617 178.043 176.300 0.210 0.000 0.998 205 D CA 1.866 56.047 54.000 0.301 0.000 0.836 205 D CB -0.137 40.803 40.800 0.233 0.000 0.951 205 D HN 0.860 nan 8.370 nan 0.000 0.449 206 D N -0.035 120.453 120.400 0.147 0.000 2.363 206 D HA -0.138 4.503 4.640 0.000 0.000 0.220 206 D C 0.533 176.905 176.300 0.120 0.000 0.994 206 D CA 0.176 54.245 54.000 0.114 0.000 0.890 206 D CB 0.013 40.861 40.800 0.080 0.000 0.906 206 D HN -0.047 nan 8.370 nan 0.000 0.530 207 R N -0.518 120.079 120.500 0.161 0.000 3.953 207 R HA -0.199 4.141 4.340 0.000 0.000 0.340 207 R C 1.514 177.881 176.300 0.111 0.000 1.195 207 R CA 0.992 57.188 56.100 0.160 0.000 0.929 207 R CB -3.256 27.123 30.300 0.131 0.000 1.402 207 R HN 0.524 nan 8.270 nan 0.000 0.540 208 S N -0.631 115.125 115.700 0.093 0.000 2.399 208 S HA -0.061 4.409 4.470 0.000 0.000 0.231 208 S C 1.004 175.648 174.600 0.073 0.000 1.022 208 S CA 0.965 59.207 58.200 0.070 0.000 0.983 208 S CB 0.094 63.329 63.200 0.058 0.000 0.803 208 S HN 0.312 nan 8.310 nan 0.000 0.480 209 L N 1.811 123.088 121.223 0.090 0.000 2.305 209 L HA 0.714 5.055 4.340 0.000 0.000 0.284 209 L C -1.565 175.391 176.870 0.143 0.000 1.013 209 L CA -0.133 54.764 54.840 0.095 0.000 0.819 209 L CB 1.776 43.885 42.059 0.082 0.000 1.227 209 L HN 0.077 nan 8.230 nan 0.000 0.417 210 D N 3.670 124.146 120.400 0.126 0.000 2.351 210 D HA 0.261 4.901 4.640 0.000 0.000 0.235 210 D C -1.457 174.896 176.300 0.089 0.000 1.331 210 D CA -0.159 53.929 54.000 0.147 0.000 0.959 210 D CB 0.838 41.709 40.800 0.118 0.000 1.432 210 D HN 0.440 nan 8.370 nan 0.000 0.544 211 E N 1.835 122.093 120.200 0.096 0.000 2.191 211 E HA 0.395 4.745 4.350 0.000 0.000 0.263 211 E C -0.322 176.306 176.600 0.046 0.000 0.881 211 E CA -0.418 56.015 56.400 0.055 0.000 0.757 211 E CB 1.727 31.456 29.700 0.048 0.000 1.147 211 E HN 0.352 nan 8.360 nan 0.000 0.414 215 V N 3.475 123.359 119.914 -0.051 0.000 2.394 215 V HA 0.575 4.695 4.120 0.000 0.000 0.282 215 V C -0.364 175.698 176.094 -0.053 0.000 1.031 215 V CA -0.271 62.030 62.300 0.003 0.000 0.881 215 V CB 0.684 32.395 31.823 -0.186 0.000 0.982 215 V HN 0.776 nan 8.190 nan 0.000 0.451 216 Y N 1.638 121.959 120.300 0.035 0.000 2.654 216 Y HA 0.415 4.965 4.550 0.000 0.000 0.327 216 Y C 0.785 176.880 175.900 0.325 0.000 1.122 216 Y CA -1.176 56.921 58.100 -0.005 0.000 1.227 216 Y CB 0.713 39.136 38.460 -0.062 0.000 1.370 216 Y HN 0.575 nan 8.280 nan 0.000 0.528 217 N N 1.233 120.235 118.700 0.503 0.000 2.411 217 N HA 0.029 4.770 4.740 0.000 0.000 0.265 217 N C -0.211 175.477 175.510 0.297 0.000 1.266 217 N CA 0.713 54.053 53.050 0.483 0.000 0.889 217 N CB -0.045 38.671 38.487 0.381 0.000 1.069 217 N HN 0.593 nan 8.380 nan 0.000 0.476 218 R N -0.294 120.313 120.500 0.179 0.000 3.919 218 R HA -0.175 4.166 4.340 0.000 0.000 0.412 218 R C -0.913 175.581 176.300 0.323 0.000 1.102 218 R CA 0.695 56.890 56.100 0.158 0.000 1.082 218 R CB -1.775 28.713 30.300 0.314 0.000 1.671 218 R HN 0.593 nan 8.270 nan 0.000 0.540 219 D N 0.394 120.967 120.400 0.288 0.000 2.339 219 D HA 0.311 4.952 4.640 0.000 0.000 0.245 219 D C 0.204 176.726 176.300 0.370 0.000 1.115 219 D CA -0.004 54.177 54.000 0.301 0.000 0.917 219 D CB 1.180 42.134 40.800 0.256 0.000 1.192 219 D HN -0.146 nan 8.370 nan 0.000 0.428 220 V N 2.008 122.122 119.914 0.334 0.000 2.513 220 V HA 0.393 4.513 4.120 0.000 0.000 0.299 220 V C 0.496 176.721 176.094 0.217 0.000 1.035 220 V CA -0.621 61.867 62.300 0.314 0.000 0.889 220 V CB 1.911 33.916 31.823 0.303 0.000 0.988 220 V HN 0.262 nan 8.190 nan 0.000 0.440 227 Y N 1.238 121.356 120.300 -0.304 0.000 2.379 227 Y HA 0.438 4.989 4.550 0.000 0.000 0.337 227 Y C 1.297 177.049 175.900 -0.247 0.000 1.238 227 Y CA 0.423 58.244 58.100 -0.465 0.000 1.405 227 Y CB 0.674 38.624 38.460 -0.850 0.000 1.310 227 Y HN 0.609 nan 8.280 nan 0.000 0.569 228 H N -0.597 118.421 119.070 -0.087 0.000 3.083 228 H HA 0.264 4.820 4.556 0.000 0.000 0.217 228 H C -3.330 171.965 175.328 -0.056 0.000 1.397 228 H CA -1.842 54.159 56.048 -0.079 0.000 1.248 228 H CB -0.088 29.578 29.762 -0.159 0.000 2.199 228 H HN 0.400 nan 8.280 nan 0.000 0.521 229 P HA 0.117 nan 4.420 nan 0.000 0.272 229 P C 0.235 177.547 177.300 0.020 0.000 1.230 229 P CA -0.364 62.802 63.100 0.109 0.000 0.788 229 P CB 2.244 34.081 31.700 0.228 0.000 0.949 230 V N 1.382 121.324 119.914 0.048 0.000 2.407 230 V HA 0.502 4.622 4.120 0.000 0.000 0.291 230 V C 0.286 176.395 176.094 0.026 0.000 1.018 230 V CA -0.752 61.581 62.300 0.056 0.000 0.842 230 V CB 1.163 33.108 31.823 0.203 0.000 0.996 230 V HN 0.712 nan 8.190 nan 0.000 0.426 231 A N 3.807 126.608 122.820 -0.031 0.000 2.253 231 A HA 0.715 5.035 4.320 0.000 0.000 0.316 231 A C 0.523 178.102 177.584 -0.009 0.000 1.327 231 A CA -0.329 51.666 52.037 -0.071 0.000 0.917 231 A CB 0.477 19.397 19.000 -0.133 0.000 1.162 231 A HN 0.895 nan 8.150 nan 0.000 0.535 232 T N 0.339 114.905 114.554 0.020 0.000 2.849 232 T HA 0.646 4.996 4.350 0.000 0.000 0.284 232 T C 0.057 174.737 174.700 -0.033 0.000 1.004 232 T CA -0.558 61.569 62.100 0.046 0.000 1.021 232 T CB 0.603 69.535 68.868 0.107 0.000 1.013 232 T HN 0.320 nan 8.240 nan 0.000 0.527 233 I N 1.304 121.833 120.570 -0.069 0.000 2.404 233 I HA 0.436 4.607 4.170 0.000 0.000 0.293 233 I C 0.948 177.021 176.117 -0.073 0.000 0.992 233 I CA -1.168 60.048 61.300 -0.139 0.000 1.149 233 I CB 0.939 38.698 38.000 -0.402 0.000 1.315 233 I HN 1.042 nan 8.210 nan 0.000 0.446 234 A N 4.230 126.999 122.820 -0.085 0.000 2.580 234 A HA 0.385 4.705 4.320 0.000 0.000 0.244 234 A C 1.297 178.767 177.584 -0.191 0.000 1.045 234 A CA 1.072 53.050 52.037 -0.099 0.000 0.761 234 A CB -0.487 18.464 19.000 -0.083 0.000 0.962 234 A HN 1.454 nan 8.150 nan 0.000 0.512 235 G N 1.044 109.704 108.800 -0.233 0.000 2.234 235 G HA2 -0.227 3.734 3.960 0.000 0.000 0.235 235 G HA3 -0.227 3.734 3.960 0.000 0.000 0.235 235 G C -0.106 174.432 174.900 -0.604 0.000 0.997 235 G CA 0.506 45.336 45.100 -0.450 0.000 0.623 235 G HN 1.001 nan 8.290 nan 0.000 0.514 236 Y N 2.425 122.680 120.300 -0.074 0.000 2.447 236 Y HA 0.508 5.059 4.550 0.000 0.000 0.325 236 Y C -0.176 175.767 175.900 0.072 0.000 0.976 236 Y CA -1.669 56.417 58.100 -0.024 0.000 1.280 236 Y CB 1.021 39.424 38.460 -0.095 0.000 1.104 236 Y HN 0.010 nan 8.280 nan 0.000 0.486 237 D N 2.431 122.934 120.400 0.172 0.000 2.414 237 D HA -0.011 4.629 4.640 0.000 0.000 0.242 237 D C -0.097 176.386 176.300 0.304 0.000 1.129 237 D CA 0.281 54.397 54.000 0.193 0.000 0.885 237 D CB 0.898 41.781 40.800 0.137 0.000 1.198 237 D HN 0.543 nan 8.370 nan 0.000 0.437 238 N N 1.306 120.186 118.700 0.301 0.000 2.272 238 N HA 0.329 5.069 4.740 0.000 0.000 0.305 238 N C -1.734 173.858 175.510 0.136 0.000 1.103 238 N CA -0.478 52.659 53.050 0.145 0.000 0.791 238 N CB 1.960 40.535 38.487 0.146 0.000 1.356 238 N HN 0.372 nan 8.380 nan 0.000 0.486 239 Y N 2.690 122.851 120.300 -0.233 0.000 2.492 239 Y HA 0.498 5.048 4.550 0.000 0.000 0.346 239 Y C -1.766 173.851 175.900 -0.472 0.000 0.997 239 Y CA -0.685 57.060 58.100 -0.591 0.000 1.025 239 Y CB 0.993 38.880 38.460 -0.954 0.000 1.263 239 Y HN 0.516 nan 8.280 nan 0.000 0.454 240 Y N 4.600 124.149 120.300 -1.252 0.000 2.534 240 Y HA 0.703 5.254 4.550 0.000 0.000 0.345 240 Y C -2.322 172.840 175.900 -1.230 0.000 1.031 240 Y CA -1.774 55.659 58.100 -1.111 0.000 1.022 240 Y CB 1.229 39.182 38.460 -0.844 0.000 1.292 240 Y HN 0.692 nan 8.280 nan 0.000 0.459 241 L N 3.442 124.337 121.223 -0.547 0.000 2.305 241 L HA 0.590 4.930 4.340 0.000 0.000 0.284 241 L C -1.575 175.090 176.870 -0.341 0.000 1.013 241 L CA -0.500 54.148 54.840 -0.321 0.000 0.819 241 L CB 1.113 43.218 42.059 0.077 0.000 1.227 241 L HN 0.852 nan 8.230 nan 0.000 0.417 242 N N 3.233 121.714 118.700 -0.366 0.000 2.314 242 N HA 0.768 5.508 4.740 0.000 0.000 0.304 242 N C -1.167 174.151 175.510 -0.320 0.000 1.073 242 N CA -0.766 52.012 53.050 -0.453 0.000 0.822 242 N CB 2.356 40.521 38.487 -0.537 0.000 1.280 242 N HN 0.352 nan 8.380 nan 0.000 0.489 246 G N -0.678 107.759 108.800 -0.606 0.000 2.561 246 G HA2 0.686 4.647 3.960 0.000 0.000 0.310 246 G HA3 0.686 4.647 3.960 0.000 0.000 0.310 246 G C -2.551 171.802 174.900 -0.912 0.000 1.292 246 G CA 0.131 44.644 45.100 -0.978 0.000 0.811 246 G HN 0.587 nan 8.290 nan 0.000 0.482 247 P HA 0.109 nan 4.420 nan 0.000 0.223 247 P C 0.291 177.556 177.300 -0.058 0.000 1.151 247 P CA 0.701 63.722 63.100 -0.131 0.000 0.787 247 P CB 0.490 32.198 31.700 0.013 0.000 0.788 248 L N -0.522 120.656 121.223 -0.076 0.000 2.376 248 L HA 0.462 4.803 4.340 0.000 0.000 0.275 248 L C 0.144 176.988 176.870 -0.042 0.000 0.987 248 L CA -1.191 53.630 54.840 -0.033 0.000 0.828 248 L CB 1.676 43.721 42.059 -0.023 0.000 1.249 248 L HN -0.287 nan 8.230 nan 0.000 0.409 252 R N 5.385 125.733 120.500 -0.254 0.000 2.476 252 R HA 0.660 5.000 4.340 0.000 0.000 0.305 252 R C -0.855 175.206 176.300 -0.398 0.000 0.965 252 R CA -0.740 55.083 56.100 -0.461 0.000 0.867 252 R CB 1.650 31.780 30.300 -0.284 0.000 1.176 252 R HN 0.228 nan 8.270 nan 0.000 0.447 253 F N -1.421 118.192 119.950 -0.562 0.000 2.640 253 F HA 0.691 5.219 4.527 0.000 0.000 0.324 253 F C -0.611 174.939 175.800 -0.416 0.000 1.077 253 F CA -1.114 56.631 58.000 -0.424 0.000 0.965 253 F CB 1.587 40.269 39.000 -0.529 0.000 1.351 253 F HN 0.070 nan 8.300 nan 0.000 0.487 254 T N 1.461 116.028 114.554 0.022 0.000 2.807 254 T HA 0.232 4.582 4.350 0.000 0.000 0.279 254 T C -1.175 173.672 174.700 0.244 0.000 0.993 254 T CA -0.273 61.841 62.100 0.024 0.000 0.970 254 T CB 0.779 69.685 68.868 0.063 0.000 0.950 254 T HN 0.448 nan 8.240 nan 0.000 0.441 255 W N 2.503 123.943 121.300 0.233 0.000 2.238 255 W HA 0.244 4.905 4.660 0.001 0.000 0.321 255 W C 0.872 177.419 176.519 0.048 0.000 1.293 255 W CA -0.905 56.528 57.345 0.146 0.000 1.204 255 W CB 0.214 29.705 29.460 0.052 0.000 1.167 255 W HN 0.741 nan 8.180 nan 0.000 0.553 256 E N 1.714 121.958 120.200 0.073 0.000 2.480 256 E HA -0.141 4.209 4.350 0.000 0.000 0.258 256 E C 1.072 177.595 176.600 -0.129 0.000 0.984 256 E CA 0.227 56.455 56.400 -0.288 0.000 0.930 256 E CB 0.848 30.023 29.700 -0.875 0.000 0.936 256 E HN 0.393 nan 8.360 nan 0.000 0.466 257 E N 4.005 124.168 120.200 -0.060 0.000 2.153 257 E HA -0.212 4.139 4.350 0.000 0.000 0.194 257 E C 1.017 177.560 176.600 -0.094 0.000 0.988 257 E CA 1.534 57.916 56.400 -0.031 0.000 0.811 257 E CB 0.021 29.728 29.700 0.013 0.000 0.746 257 E HN 0.546 nan 8.360 nan 0.000 0.466 258 N N -0.145 118.413 118.700 -0.236 0.000 2.289 258 N HA -0.132 4.608 4.740 0.000 0.000 0.184 258 N C 0.716 176.111 175.510 -0.192 0.000 1.016 258 N CA 1.190 54.063 53.050 -0.295 0.000 0.872 258 N CB -0.084 38.115 38.487 -0.480 0.000 0.973 258 N HN 0.391 nan 8.380 nan 0.000 0.433 259 H N -1.773 117.284 119.070 -0.022 0.000 2.755 259 H HA 0.419 4.975 4.556 0.000 0.000 0.273 259 H C 1.480 176.454 175.328 -0.590 0.000 1.055 259 H CA 0.115 55.996 56.048 -0.278 0.000 1.191 259 H CB 0.069 29.514 29.762 -0.528 0.000 1.536 259 H HN 0.091 nan 8.280 nan 0.000 0.529 260 A N 2.418 125.066 122.820 -0.286 0.000 1.978 260 A HA -0.159 4.162 4.320 0.000 0.000 0.220 260 A C 2.090 179.413 177.584 -0.435 0.000 1.170 260 A CA 1.245 53.024 52.037 -0.430 0.000 0.636 260 A CB -1.104 17.794 19.000 -0.171 0.000 0.810 260 A HN 0.680 nan 8.150 nan 0.000 0.448 261 W N 0.129 121.296 121.300 -0.222 0.000 2.359 261 W HA -0.156 4.505 4.660 0.000 0.000 0.275 261 W C 1.204 177.617 176.519 -0.176 0.000 1.217 261 W CA 1.000 58.248 57.345 -0.163 0.000 1.196 261 W CB -1.014 28.393 29.460 -0.088 0.000 1.129 261 W HN 0.335 nan 8.180 nan 0.000 0.566 262 I N 1.773 121.637 120.570 -1.177 0.000 2.614 262 I HA -0.287 3.884 4.170 0.000 0.000 0.258 262 I C 2.175 177.942 176.117 -0.584 0.000 1.189 262 I CA 1.126 61.769 61.300 -1.095 0.000 1.462 262 I CB -0.637 36.652 38.000 -1.185 0.000 1.092 262 I HN -0.050 nan 8.210 nan 0.000 0.442 263 N N 0.628 118.974 118.700 -0.590 0.000 2.216 263 N HA -0.039 4.701 4.740 0.000 0.000 0.183 263 N C 1.098 176.465 175.510 -0.239 0.000 1.017 263 N CA 0.482 53.262 53.050 -0.450 0.000 0.861 263 N CB -0.191 37.871 38.487 -0.708 0.000 0.986 263 N HN 0.191 nan 8.380 nan 0.000 0.428 264 S N 0.000 115.595 115.700 -0.175 0.000 2.498 264 S HA 0.000 4.470 4.470 0.000 0.000 0.327 264 S CA 0.000 58.169 58.200 -0.051 0.000 1.107 264 S CB 0.000 63.218 63.200 0.030 0.000 0.593 264 S HN 0.000 nan 8.310 nan 0.000 0.517