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 3hf3_1_A DATA FIRST_RESID 2 DATA SEQUENCE ALLFTPLELG GLRLKNRLAM SPMCQYSATL EGEVTDWHLL HYPTRALGGV DATA SEQUENCE GLILVEATAV EPLGRISPYD LGIWSEDHLP GLKELARRIR EAGAVPGIQL DATA SEQUENCE AHAGRKAGTA RPWEGGKPLG WRVVGPSPIP FDEGYPVPEP LDEAGMERIL DATA SEQUENCE QAFVEGARRA LRAGFQVIEL HMAHGYLLSS FLSPLSNQRT DAYGGSLENR DATA SEQUENCE MRFPLQVAQA VREVVPRELP LFVRVSATDW GEGGWSLEDT LAFARRLKEL DATA SEQUENCE GVDLLDCSSG GVVLRVRIPL APGFQVPFAD AVRKRVGLRT GAVGLITTPE DATA SEQUENCE QAETLLQAGS ADLVLLGRVL LRDPYFPLRA AKALGVAPEV PPQYQRGF 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 0.000 177.640 177.584 0.094 0.000 1.274 2 A CA 0.000 52.100 52.037 0.105 0.000 0.836 2 A CB 0.000 19.102 19.000 0.170 0.000 0.831 3 L N 1.350 122.601 121.223 0.048 0.000 2.156 3 L HA -0.108 4.231 4.340 -0.003 0.000 0.208 3 L C 2.434 179.281 176.870 -0.040 0.000 1.095 3 L CA 1.119 55.966 54.840 0.012 0.000 0.770 3 L CB -0.245 41.815 42.059 0.002 0.000 0.914 3 L HN 0.809 nan 8.230 nan 0.000 0.439 4 L N -0.394 120.779 121.223 -0.083 0.000 2.051 4 L HA -0.217 4.121 4.340 -0.003 0.000 0.214 4 L C 1.419 177.957 176.870 -0.553 0.000 1.076 4 L CA 1.995 56.659 54.840 -0.294 0.000 0.758 4 L CB -0.401 41.457 42.059 -0.334 0.000 0.890 4 L HN 0.080 nan 8.230 nan 0.000 0.433 5 F N -1.204 118.755 119.950 0.015 0.000 2.730 5 F HA 0.257 4.783 4.527 -0.003 0.000 0.295 5 F C 0.716 176.518 175.800 0.002 0.000 1.143 5 F CA -0.409 57.594 58.000 0.005 0.000 1.367 5 F CB -0.543 38.452 39.000 -0.008 0.000 0.970 5 F HN -0.205 nan 8.300 nan 0.000 0.514 6 T N 1.914 116.502 114.554 0.057 0.000 2.837 6 T HA 0.310 4.658 4.350 -0.003 0.000 0.285 6 T C -2.390 172.322 174.700 0.020 0.000 0.984 6 T CA -1.607 60.520 62.100 0.045 0.000 1.049 6 T CB 1.507 70.393 68.868 0.030 0.000 0.947 6 T HN -0.233 nan 8.240 nan 0.000 0.472 7 P HA 0.186 nan 4.420 nan 0.000 0.268 7 P C -1.037 176.270 177.300 0.012 0.000 1.208 7 P CA -0.456 62.655 63.100 0.020 0.000 0.777 7 P CB 0.409 32.122 31.700 0.020 0.000 0.875 8 L N 2.263 123.495 121.223 0.014 0.000 2.406 8 L HA 0.302 4.640 4.340 -0.003 0.000 0.270 8 L C -0.459 176.426 176.870 0.024 0.000 0.982 8 L CA -0.385 54.463 54.840 0.014 0.000 0.843 8 L CB 1.064 43.131 42.059 0.014 0.000 1.225 8 L HN 0.209 nan 8.230 nan 0.000 0.412 9 E N 6.584 126.795 120.200 0.020 0.000 2.290 9 E HA 0.380 4.729 4.350 -0.003 0.000 0.277 9 E C -0.981 175.639 176.600 0.034 0.000 1.035 9 E CA -0.084 56.330 56.400 0.023 0.000 0.873 9 E CB 1.409 31.118 29.700 0.016 0.000 1.029 9 E HN 0.570 nan 8.360 nan 0.000 0.419 10 L N 1.039 122.292 121.223 0.049 0.000 2.409 10 L HA 0.429 4.768 4.340 -0.003 0.000 0.262 10 L C 1.242 178.147 176.870 0.058 0.000 0.992 10 L CA -0.805 54.078 54.840 0.072 0.000 0.817 10 L CB 1.959 44.102 42.059 0.140 0.000 1.350 10 L HN 0.788 nan 8.230 nan 0.000 0.411 11 G N 1.828 110.661 108.800 0.055 0.000 2.686 11 G HA2 -0.364 3.595 3.960 -0.003 0.000 0.359 11 G HA3 -0.364 3.595 3.960 -0.003 0.000 0.359 11 G C 0.804 175.716 174.900 0.021 0.000 1.222 11 G CA 0.760 45.880 45.100 0.034 0.000 0.956 11 G HN 1.038 nan 8.290 nan 0.000 0.565 12 G N -0.406 108.402 108.800 0.014 0.000 3.393 12 G HA2 0.544 4.502 3.960 -0.003 0.000 0.255 12 G HA3 0.544 4.502 3.960 -0.003 0.000 0.255 12 G C 0.541 175.445 174.900 0.007 0.000 1.097 12 G CA 0.104 45.209 45.100 0.008 0.000 0.780 12 G HN 0.557 nan 8.290 nan 0.000 0.540 13 L N -0.284 120.946 121.223 0.012 0.000 2.416 13 L HA 0.613 4.951 4.340 -0.003 0.000 0.262 13 L C 0.378 177.257 176.870 0.016 0.000 1.093 13 L CA -1.084 53.762 54.840 0.010 0.000 0.801 13 L CB 1.423 43.489 42.059 0.012 0.000 1.191 13 L HN -0.019 nan 8.230 nan 0.000 0.459 14 R N 1.720 122.227 120.500 0.012 0.000 2.435 14 R HA 0.478 4.817 4.340 -0.003 0.000 0.308 14 R C -1.367 174.944 176.300 0.018 0.000 0.975 14 R CA -0.589 55.520 56.100 0.016 0.000 0.867 14 R CB 0.897 31.203 30.300 0.010 0.000 1.171 14 R HN 0.580 nan 8.270 nan 0.000 0.470 15 L N 5.810 127.049 121.223 0.027 0.000 2.410 15 L HA 0.143 4.481 4.340 -0.003 0.000 0.273 15 L C 1.630 178.514 176.870 0.024 0.000 1.152 15 L CA -0.050 54.807 54.840 0.029 0.000 0.855 15 L CB 1.120 43.205 42.059 0.044 0.000 1.129 15 L HN 0.724 nan 8.230 nan 0.000 0.463 16 K N 1.660 122.075 120.400 0.025 0.000 2.442 16 K HA -0.069 4.249 4.320 -0.003 0.000 0.198 16 K C 0.155 176.783 176.600 0.047 0.000 1.042 16 K CA 0.853 57.160 56.287 0.032 0.000 0.958 16 K CB -0.040 32.478 32.500 0.031 0.000 0.766 16 K HN 0.813 nan 8.250 nan 0.000 0.474 17 N N -0.913 117.803 118.700 0.026 0.000 3.277 17 N HA 0.170 4.908 4.740 -0.003 0.000 0.278 17 N C -0.772 174.701 175.510 -0.060 0.000 1.544 17 N CA -1.165 51.872 53.050 -0.022 0.000 0.869 17 N CB 0.665 39.139 38.487 -0.022 0.000 1.584 17 N HN -0.138 nan 8.380 nan 0.000 0.564 18 R N -0.218 120.196 120.500 -0.144 0.000 2.515 18 R HA 0.378 4.717 4.340 -0.003 0.000 0.294 18 R C -0.423 175.825 176.300 -0.087 0.000 1.021 18 R CA -0.214 55.828 56.100 -0.097 0.000 1.081 18 R CB -0.599 29.639 30.300 -0.104 0.000 1.263 18 R HN 0.461 nan 8.270 nan 0.000 0.557 19 L N 1.084 122.256 121.223 -0.084 0.000 2.295 19 L HA 0.570 4.908 4.340 -0.003 0.000 0.285 19 L C 0.044 176.944 176.870 0.050 0.000 1.035 19 L CA -0.754 54.083 54.840 -0.004 0.000 0.806 19 L CB 1.797 43.870 42.059 0.024 0.000 1.214 19 L HN -0.012 nan 8.230 nan 0.000 0.426 20 A N 4.330 127.195 122.820 0.075 0.000 2.374 20 A HA 0.680 4.998 4.320 -0.003 0.000 0.317 20 A C -0.594 177.057 177.584 0.112 0.000 1.094 20 A CA -0.653 51.446 52.037 0.103 0.000 0.765 20 A CB 1.571 20.651 19.000 0.133 0.000 1.268 20 A HN 0.780 nan 8.150 nan 0.000 0.438 21 M N 2.808 122.483 119.600 0.125 0.000 2.156 21 M HA 0.246 4.724 4.480 -0.003 0.000 0.345 21 M C 0.382 176.773 176.300 0.152 0.000 1.398 21 M CA 0.095 55.480 55.300 0.142 0.000 1.148 21 M CB 0.211 32.911 32.600 0.168 0.000 1.663 21 M HN 0.767 nan 8.290 nan 0.000 0.464 22 S N 6.411 122.196 115.700 0.142 0.000 2.563 22 S HA 0.224 4.692 4.470 -0.003 0.000 0.284 22 S C -2.248 172.454 174.600 0.170 0.000 1.331 22 S CA -0.987 57.298 58.200 0.142 0.000 1.047 22 S CB 0.328 63.606 63.200 0.130 0.000 0.859 22 S HN 0.539 nan 8.310 nan 0.000 0.514 23 P HA 0.140 nan 4.420 nan 0.000 0.267 23 P C -1.015 176.399 177.300 0.190 0.000 1.205 23 P CA 0.386 63.578 63.100 0.154 0.000 0.765 23 P CB 0.195 31.934 31.700 0.065 0.000 0.828 24 M N 2.545 122.291 119.600 0.243 0.000 2.122 24 M HA 0.189 4.667 4.480 -0.003 0.000 0.269 24 M C -0.488 175.914 176.300 0.171 0.000 0.954 24 M CA -0.562 54.868 55.300 0.216 0.000 0.998 24 M CB 1.541 34.284 32.600 0.239 0.000 1.755 24 M HN 0.227 nan 8.290 nan 0.000 0.459 25 C N 2.832 122.170 119.300 0.064 0.000 2.431 25 C HA -0.050 4.408 4.460 -0.003 0.000 0.397 25 C C 1.599 176.479 174.990 -0.183 0.000 1.436 25 C CA 0.354 59.270 59.018 -0.171 0.000 1.596 25 C CB -0.094 27.370 27.740 -0.461 0.000 2.550 25 C HN 0.755 nan 8.230 nan 0.000 0.596 26 Q N 0.698 120.395 119.800 -0.171 0.000 2.280 26 Q HA 0.105 4.444 4.340 -0.003 0.000 0.228 26 Q C 0.134 176.196 176.000 0.103 0.000 0.857 26 Q CA 0.046 55.843 55.803 -0.010 0.000 0.939 26 Q CB 0.056 28.819 28.738 0.041 0.000 1.114 26 Q HN 0.903 nan 8.270 nan 0.000 0.514 27 Y N 0.014 120.421 120.300 0.179 0.000 3.108 27 Y HA -0.264 4.284 4.550 -0.003 0.000 0.208 27 Y C 0.585 176.567 175.900 0.136 0.000 1.245 27 Y CA 0.917 59.110 58.100 0.156 0.000 1.171 27 Y CB -2.570 35.882 38.460 -0.013 0.000 1.331 27 Y HN -0.070 nan 8.280 nan 0.000 0.534 28 S N -2.047 113.780 115.700 0.212 0.000 2.960 28 S HA 0.616 5.084 4.470 -0.003 0.000 0.256 28 S C 0.949 175.711 174.600 0.270 0.000 1.017 28 S CA -0.044 58.187 58.200 0.051 0.000 1.144 28 S CB 0.306 63.276 63.200 -0.384 0.000 1.109 28 S HN 0.621 nan 8.310 nan 0.000 0.638 29 A N 2.122 125.213 122.820 0.452 0.000 2.280 29 A HA 0.634 4.952 4.320 -0.003 0.000 0.268 29 A C 0.946 178.761 177.584 0.386 0.000 1.111 29 A CA -0.202 52.113 52.037 0.462 0.000 0.814 29 A CB -0.211 18.969 19.000 0.300 0.000 1.093 29 A HN 0.402 nan 8.150 nan 0.000 0.498 30 T N -1.355 113.382 114.554 0.305 0.000 2.726 30 T HA 0.294 4.642 4.350 -0.003 0.000 0.294 30 T C 1.085 175.957 174.700 0.287 0.000 1.013 30 T CA -0.031 62.239 62.100 0.284 0.000 0.996 30 T CB 0.053 69.039 68.868 0.197 0.000 1.016 30 T HN 0.386 nan 8.240 nan 0.000 0.529 31 L N 0.045 121.411 121.223 0.238 0.000 2.275 31 L HA 0.005 4.343 4.340 -0.003 0.000 0.215 31 L C 2.424 179.384 176.870 0.150 0.000 1.119 31 L CA 1.113 56.018 54.840 0.109 0.000 0.790 31 L CB -0.377 41.725 42.059 0.072 0.000 0.919 31 L HN 0.676 nan 8.230 nan 0.000 0.443 32 E N 0.106 120.415 120.200 0.182 0.000 2.444 32 E HA 0.113 4.461 4.350 -0.003 0.000 0.191 32 E C 1.297 178.070 176.600 0.287 0.000 1.041 32 E CA 0.603 57.146 56.400 0.238 0.000 0.883 32 E CB 0.480 30.256 29.700 0.128 0.000 1.024 32 E HN 0.407 nan 8.360 nan 0.000 0.470 33 G N 2.058 111.000 108.800 0.236 0.000 2.137 33 G HA2 -0.294 3.665 3.960 -0.003 0.000 0.237 33 G HA3 -0.294 3.665 3.960 -0.003 0.000 0.237 33 G C -0.113 174.803 174.900 0.028 0.000 1.002 33 G CA 0.197 45.358 45.100 0.102 0.000 0.702 33 G HN 0.311 nan 8.290 nan 0.000 0.515 34 E N -0.359 119.922 120.200 0.135 0.000 2.313 34 E HA 0.488 4.836 4.350 -0.003 0.000 0.272 34 E C 0.788 177.449 176.600 0.101 0.000 1.038 34 E CA -0.856 55.618 56.400 0.122 0.000 0.863 34 E CB 1.866 31.634 29.700 0.113 0.000 1.060 34 E HN 0.105 nan 8.360 nan 0.000 0.402 35 V N 3.065 122.999 119.914 0.034 0.000 2.617 35 V HA -0.018 4.100 4.120 -0.003 0.000 0.304 35 V C 0.649 176.896 176.094 0.254 0.000 1.040 35 V CA 0.694 63.021 62.300 0.045 0.000 1.149 35 V CB 0.098 31.929 31.823 0.014 0.000 0.914 35 V HN 0.878 nan 8.190 nan 0.000 0.487 36 T N 0.411 115.279 114.554 0.522 0.000 2.807 36 T HA 0.357 4.705 4.350 -0.003 0.000 0.277 36 T C 0.662 175.557 174.700 0.325 0.000 1.006 36 T CA -0.682 61.632 62.100 0.358 0.000 1.006 36 T CB 1.315 70.378 68.868 0.324 0.000 1.274 36 T HN 0.420 nan 8.240 nan 0.000 0.569 37 D N -0.538 119.992 120.400 0.216 0.000 2.182 37 D HA -0.084 4.554 4.640 -0.003 0.000 0.201 37 D C 1.457 177.829 176.300 0.119 0.000 0.986 37 D CA 0.893 54.984 54.000 0.152 0.000 0.847 37 D CB -0.195 40.675 40.800 0.117 0.000 0.942 37 D HN 0.591 nan 8.370 nan 0.000 0.467 38 W N 1.288 122.586 121.300 -0.004 0.000 2.318 38 W HA -0.258 4.400 4.660 -0.002 0.000 0.313 38 W C 1.722 178.181 176.519 -0.099 0.000 1.221 38 W CA 1.718 58.989 57.345 -0.123 0.000 1.266 38 W CB -0.520 28.771 29.460 -0.283 0.000 1.150 38 W HN 0.254 nan 8.180 nan 0.000 0.496 39 H N -0.068 119.091 119.070 0.150 0.000 2.395 39 H HA -0.062 4.492 4.556 -0.003 0.000 0.299 39 H C 2.333 177.753 175.328 0.153 0.000 1.070 39 H CA 1.953 58.118 56.048 0.196 0.000 1.356 39 H CB -0.791 29.209 29.762 0.396 0.000 1.401 39 H HN 0.081 nan 8.280 nan 0.000 0.524 40 L N -0.015 121.340 121.223 0.220 0.000 2.362 40 L HA -0.109 4.229 4.340 -0.003 0.000 0.219 40 L C 1.900 178.794 176.870 0.040 0.000 1.134 40 L CA 0.554 55.477 54.840 0.139 0.000 0.807 40 L CB -0.104 42.023 42.059 0.113 0.000 0.927 40 L HN 0.275 nan 8.230 nan 0.000 0.447 41 L N -1.221 119.959 121.223 -0.072 0.000 2.269 41 L HA -0.059 4.279 4.340 -0.003 0.000 0.200 41 L C 2.546 179.293 176.870 -0.205 0.000 1.069 41 L CA 1.210 55.960 54.840 -0.151 0.000 0.804 41 L CB -0.369 41.545 42.059 -0.241 0.000 0.987 41 L HN 0.111 nan 8.230 nan 0.000 0.468 42 H N -1.389 117.372 119.070 -0.515 0.000 2.319 42 H HA -0.241 4.313 4.556 -0.003 0.000 0.299 42 H C 1.771 176.918 175.328 -0.301 0.000 1.092 42 H CA 2.791 58.505 56.048 -0.558 0.000 1.302 42 H CB -0.250 28.997 29.762 -0.857 0.000 1.373 42 H HN 0.423 nan 8.280 nan 0.000 0.497 43 Y N -0.469 119.798 120.300 -0.055 0.000 2.206 43 Y HA 0.069 4.618 4.550 -0.003 0.000 0.292 43 Y C -0.563 175.304 175.900 -0.055 0.000 1.123 43 Y CA 0.482 58.541 58.100 -0.070 0.000 1.142 43 Y CB -1.306 37.207 38.460 0.088 0.000 1.006 43 Y HN 0.365 nan 8.280 nan 0.000 0.518 44 P HA -0.103 nan 4.420 nan 0.000 0.220 44 P C 1.467 178.797 177.300 0.050 0.000 1.148 44 P CA 1.999 65.138 63.100 0.065 0.000 0.803 44 P CB -0.089 31.640 31.700 0.049 0.000 0.782 45 T N -0.153 114.421 114.554 0.033 0.000 2.665 45 T HA -0.182 4.166 4.350 -0.003 0.000 0.268 45 T C 1.779 176.562 174.700 0.137 0.000 1.035 45 T CA 1.568 63.729 62.100 0.102 0.000 1.151 45 T CB -0.512 68.378 68.868 0.036 0.000 0.862 45 T HN 0.062 nan 8.240 nan 0.000 0.438 46 R N 1.042 121.566 120.500 0.040 0.000 2.148 46 R HA 0.267 4.606 4.340 -0.003 0.000 0.223 46 R C 2.508 178.846 176.300 0.063 0.000 1.088 46 R CA 0.936 57.078 56.100 0.070 0.000 0.985 46 R CB -0.698 29.614 30.300 0.019 0.000 0.880 46 R HN 0.414 nan 8.270 nan 0.000 0.451 47 A N 0.678 123.527 122.820 0.049 0.000 1.873 47 A HA -0.085 4.233 4.320 -0.003 0.000 0.215 47 A C 2.022 179.587 177.584 -0.032 0.000 1.186 47 A CA 1.019 53.069 52.037 0.021 0.000 0.616 47 A CB -0.591 18.423 19.000 0.023 0.000 0.823 47 A HN 0.209 nan 8.150 nan 0.000 0.442 48 L N -0.429 120.764 121.223 -0.050 0.000 2.187 48 L HA -0.184 4.154 4.340 -0.003 0.000 0.213 48 L C 2.593 179.273 176.870 -0.317 0.000 1.100 48 L CA 1.132 55.883 54.840 -0.147 0.000 0.765 48 L CB -0.778 41.227 42.059 -0.090 0.000 0.904 48 L HN 0.547 nan 8.230 nan 0.000 0.437 49 G N -1.294 107.356 108.800 -0.250 0.000 2.559 49 G HA2 0.076 4.035 3.960 -0.003 0.000 0.216 49 G HA3 0.076 4.035 3.960 -0.003 0.000 0.216 49 G C 1.258 176.111 174.900 -0.078 0.000 1.126 49 G CA 0.739 45.691 45.100 -0.246 0.000 0.778 49 G HN 0.572 nan 8.290 nan 0.000 0.543 50 G N -1.335 107.437 108.800 -0.047 0.000 2.231 50 G HA2 -0.144 3.814 3.960 -0.003 0.000 0.206 50 G HA3 -0.144 3.814 3.960 -0.003 0.000 0.206 50 G C 0.548 175.501 174.900 0.088 0.000 0.996 50 G CA 0.336 45.449 45.100 0.022 0.000 0.645 50 G HN 1.357 nan 8.290 nan 0.000 0.498 51 V N 0.196 120.167 119.914 0.096 0.000 2.872 51 V HA 0.606 4.724 4.120 -0.003 0.000 0.307 51 V C 1.711 177.845 176.094 0.067 0.000 1.072 51 V CA 0.994 63.352 62.300 0.098 0.000 1.148 51 V CB 1.024 32.911 31.823 0.107 0.000 0.954 51 V HN 0.976 nan 8.190 nan 0.000 0.490 52 G N 2.773 111.607 108.800 0.057 0.000 2.464 52 G HA2 0.158 4.116 3.960 -0.003 0.000 0.217 52 G HA3 0.158 4.116 3.960 -0.003 0.000 0.217 52 G C 0.137 175.062 174.900 0.041 0.000 1.138 52 G CA 0.793 45.919 45.100 0.043 0.000 0.793 52 G HN 0.763 nan 8.290 nan 0.000 0.539 53 L N 0.377 121.635 121.223 0.058 0.000 2.436 53 L HA 0.607 4.945 4.340 -0.003 0.000 0.268 53 L C -1.227 175.687 176.870 0.073 0.000 0.974 53 L CA -0.950 53.925 54.840 0.059 0.000 0.826 53 L CB 2.061 44.171 42.059 0.085 0.000 1.291 53 L HN -0.052 nan 8.230 nan 0.000 0.406 54 I N 5.953 126.559 120.570 0.060 0.000 2.354 54 I HA 0.331 4.500 4.170 -0.003 0.000 0.292 54 I C -0.733 175.413 176.117 0.048 0.000 0.989 54 I CA -0.625 60.723 61.300 0.080 0.000 1.188 54 I CB 1.578 39.631 38.000 0.087 0.000 1.342 54 I HN 0.472 nan 8.210 nan 0.000 0.457 55 L N 7.128 128.391 121.223 0.066 0.000 2.259 55 L HA 0.343 4.681 4.340 -0.003 0.000 0.288 55 L C -0.022 176.847 176.870 -0.001 0.000 1.051 55 L CA -0.711 54.139 54.840 0.017 0.000 0.824 55 L CB 1.269 43.358 42.059 0.049 0.000 1.206 55 L HN 0.315 nan 8.230 nan 0.000 0.429 56 V N 4.014 123.840 119.914 -0.146 0.000 2.673 56 V HA -0.065 4.053 4.120 -0.003 0.000 0.303 56 V C 0.894 176.954 176.094 -0.057 0.000 1.046 56 V CA -0.331 61.806 62.300 -0.272 0.000 1.126 56 V CB 0.627 32.195 31.823 -0.425 0.000 0.934 56 V HN 0.867 nan 8.190 nan 0.000 0.487 57 E N 4.440 124.728 120.200 0.146 0.000 2.521 57 E HA 0.071 4.420 4.350 -0.003 0.000 0.269 57 E C 0.326 176.938 176.600 0.020 0.000 1.182 57 E CA -0.078 56.405 56.400 0.138 0.000 1.053 57 E CB 0.417 30.247 29.700 0.217 0.000 1.013 57 E HN 0.816 nan 8.360 nan 0.000 0.470 58 A N 1.785 124.623 122.820 0.030 0.000 2.580 58 A HA 0.103 4.422 4.320 -0.003 0.000 0.244 58 A C -0.150 177.403 177.584 -0.051 0.000 1.045 58 A CA 0.552 52.600 52.037 0.018 0.000 0.761 58 A CB -0.140 18.891 19.000 0.052 0.000 0.962 58 A HN 0.514 nan 8.150 nan 0.000 0.512 59 T N 2.582 117.084 114.554 -0.085 0.000 2.906 59 T HA 0.543 4.892 4.350 -0.003 0.000 0.302 59 T C 0.165 174.780 174.700 -0.142 0.000 1.002 59 T CA 0.347 62.358 62.100 -0.149 0.000 0.988 59 T CB 1.182 69.909 68.868 -0.233 0.000 0.972 59 T HN 1.131 nan 8.240 nan 0.000 0.447 60 A N 2.341 125.107 122.820 -0.090 0.000 2.440 60 A HA 0.436 4.754 4.320 -0.003 0.000 0.251 60 A C 1.505 179.075 177.584 -0.023 0.000 1.089 60 A CA -0.423 51.581 52.037 -0.055 0.000 0.779 60 A CB 0.128 19.177 19.000 0.080 0.000 1.022 60 A HN 1.034 nan 8.150 nan 0.000 0.492 61 V N -0.314 119.491 119.914 -0.182 0.000 3.647 61 V HA 0.283 4.402 4.120 -0.003 0.000 0.279 61 V C 0.266 176.364 176.094 0.007 0.000 1.314 61 V CA 1.080 63.278 62.300 -0.171 0.000 1.125 61 V CB -1.611 29.890 31.823 -0.537 0.000 0.907 61 V HN 0.947 nan 8.190 nan 0.000 0.434 62 E N -1.478 118.708 120.200 -0.024 0.000 2.390 62 E HA 0.430 4.778 4.350 -0.003 0.000 0.280 62 E C -2.813 173.480 176.600 -0.512 0.000 0.992 62 E CA -1.675 54.628 56.400 -0.161 0.000 0.790 62 E CB 1.466 31.079 29.700 -0.144 0.000 1.248 62 E HN -0.102 nan 8.360 nan 0.000 0.447 63 P HA -0.115 nan 4.420 nan 0.000 0.216 63 P C 1.285 178.207 177.300 -0.629 0.000 1.150 63 P CA 1.029 63.378 63.100 -1.251 0.000 0.837 63 P CB 0.183 31.152 31.700 -1.219 0.000 0.786 64 L N -1.732 119.217 121.223 -0.457 0.000 2.478 64 L HA 0.049 4.388 4.340 -0.003 0.000 0.223 64 L C 2.095 178.882 176.870 -0.139 0.000 1.140 64 L CA 1.027 55.742 54.840 -0.209 0.000 0.842 64 L CB -0.921 41.073 42.059 -0.109 0.000 0.953 64 L HN 0.076 nan 8.230 nan 0.000 0.452 65 G N -0.357 108.155 108.800 -0.481 0.000 2.920 65 G HA2 -0.031 3.927 3.960 -0.003 0.000 0.208 65 G HA3 -0.031 3.927 3.960 -0.003 0.000 0.208 65 G C 0.790 175.520 174.900 -0.284 0.000 1.159 65 G CA -0.382 44.208 45.100 -0.851 0.000 0.784 65 G HN 0.225 nan 8.290 nan 0.000 0.535 66 R N -0.386 120.098 120.500 -0.028 0.000 2.641 66 R HA 0.350 4.688 4.340 -0.003 0.000 0.269 66 R C 1.102 177.439 176.300 0.061 0.000 1.074 66 R CA -0.417 55.736 56.100 0.088 0.000 1.133 66 R CB 1.037 31.488 30.300 0.252 0.000 1.029 66 R HN 0.086 nan 8.270 nan 0.000 0.488 67 I N 0.183 120.744 120.570 -0.014 0.000 2.141 67 I HA -0.172 3.996 4.170 -0.003 0.000 0.236 67 I C 1.269 177.352 176.117 -0.057 0.000 1.071 67 I CA 1.125 62.409 61.300 -0.027 0.000 1.345 67 I CB -0.172 37.849 38.000 0.035 0.000 1.066 67 I HN 0.606 nan 8.210 nan 0.000 0.406 68 S N -0.026 115.726 115.700 0.086 0.000 2.704 68 S HA 0.391 4.859 4.470 -0.003 0.000 0.305 68 S C -2.210 172.473 174.600 0.138 0.000 1.107 68 S CA -1.352 56.889 58.200 0.068 0.000 0.993 68 S CB 1.560 64.915 63.200 0.259 0.000 1.110 68 S HN -0.155 nan 8.310 nan 0.000 0.534 69 P HA 0.129 nan 4.420 nan 0.000 0.242 69 P C -0.455 176.606 177.300 -0.399 0.000 1.197 69 P CA 0.760 63.786 63.100 -0.123 0.000 0.765 69 P CB -0.313 31.178 31.700 -0.350 0.000 0.936 70 Y N -1.617 118.802 120.300 0.199 0.000 2.682 70 Y HA 0.258 4.807 4.550 -0.003 0.000 0.251 70 Y C 0.397 176.404 175.900 0.177 0.000 1.172 70 Y CA -1.150 57.061 58.100 0.185 0.000 1.186 70 Y CB -0.425 38.129 38.460 0.157 0.000 1.216 70 Y HN -0.154 nan 8.280 nan 0.000 0.540 71 D N 0.765 121.303 120.400 0.230 0.000 2.382 71 D HA 0.125 4.764 4.640 -0.003 0.000 0.240 71 D C 0.140 176.496 176.300 0.093 0.000 1.146 71 D CA 0.082 54.158 54.000 0.126 0.000 0.897 71 D CB 0.903 41.761 40.800 0.096 0.000 1.197 71 D HN 0.072 nan 8.370 nan 0.000 0.432 72 L N 1.145 122.372 121.223 0.006 0.000 2.485 72 L HA 0.301 4.639 4.340 -0.003 0.000 0.275 72 L C 1.179 177.905 176.870 -0.241 0.000 1.207 72 L CA 0.196 54.951 54.840 -0.143 0.000 0.855 72 L CB 0.303 42.242 42.059 -0.199 0.000 1.114 72 L HN 0.369 nan 8.230 nan 0.000 0.485 73 G N 2.658 111.100 108.800 -0.597 0.000 2.568 73 G HA2 0.631 4.590 3.960 -0.003 0.000 0.313 73 G HA3 0.631 4.590 3.960 -0.003 0.000 0.313 73 G C -0.314 173.776 174.900 -1.350 0.000 1.227 73 G CA -0.363 44.129 45.100 -1.013 0.000 0.979 73 G HN 0.676 nan 8.290 nan 0.000 0.486 74 I N 0.228 120.268 120.570 -0.883 0.000 3.820 74 I HA 0.198 4.366 4.170 -0.003 0.000 0.323 74 I C 0.683 176.705 176.117 -0.158 0.000 1.482 74 I CA -0.635 60.350 61.300 -0.525 0.000 1.048 74 I CB 0.137 37.947 38.000 -0.316 0.000 1.436 74 I HN 0.729 nan 8.210 nan 0.000 0.575 75 W N 0.766 122.103 121.300 0.063 0.000 3.180 75 W HA 0.391 5.050 4.660 -0.002 0.000 0.254 75 W C 0.450 177.030 176.519 0.102 0.000 1.318 75 W CA -0.291 57.089 57.345 0.058 0.000 1.608 75 W CB -0.498 28.969 29.460 0.011 0.000 1.124 75 W HN 0.118 nan 8.180 nan 0.000 0.694 76 S N 0.235 115.948 115.700 0.021 0.000 2.549 76 S HA 0.236 4.704 4.470 -0.003 0.000 0.280 76 S C 0.622 175.168 174.600 -0.089 0.000 1.109 76 S CA -0.472 57.678 58.200 -0.083 0.000 0.905 76 S CB 1.657 64.631 63.200 -0.376 0.000 1.081 76 S HN -0.011 nan 8.310 nan 0.000 0.477 77 E N 1.778 121.941 120.200 -0.062 0.000 2.265 77 E HA -0.066 4.282 4.350 -0.003 0.000 0.196 77 E C 0.684 177.233 176.600 -0.084 0.000 0.996 77 E CA 1.425 57.796 56.400 -0.047 0.000 0.832 77 E CB -0.021 29.662 29.700 -0.027 0.000 0.756 77 E HN 0.633 nan 8.360 nan 0.000 0.491 78 D N -1.341 118.958 120.400 -0.168 0.000 2.363 78 D HA -0.062 4.576 4.640 -0.003 0.000 0.220 78 D C 0.849 177.023 176.300 -0.211 0.000 0.994 78 D CA 0.486 54.376 54.000 -0.184 0.000 0.890 78 D CB -0.167 40.511 40.800 -0.203 0.000 0.906 78 D HN 0.486 nan 8.370 nan 0.000 0.530 79 H N -0.419 118.555 119.070 -0.160 0.000 2.548 79 H HA 0.033 4.587 4.556 -0.003 0.000 0.268 79 H C 1.870 177.136 175.328 -0.104 0.000 0.975 79 H CA -0.149 55.789 56.048 -0.183 0.000 1.195 79 H CB 0.447 30.027 29.762 -0.304 0.000 1.397 79 H HN -0.009 nan 8.280 nan 0.000 0.572 80 L N 1.627 122.866 121.223 0.026 0.000 1.994 80 L HA -0.061 4.278 4.340 -0.003 0.000 0.208 80 L C -0.899 175.982 176.870 0.019 0.000 1.071 80 L CA 1.721 56.575 54.840 0.023 0.000 0.745 80 L CB -0.896 41.166 42.059 0.006 0.000 0.892 80 L HN 0.103 nan 8.230 nan 0.000 0.431 81 P HA -0.113 nan 4.420 nan 0.000 0.215 81 P C 1.641 178.952 177.300 0.017 0.000 1.157 81 P CA 1.903 65.006 63.100 0.006 0.000 0.868 81 P CB -0.426 31.275 31.700 0.001 0.000 0.788 82 G N -0.358 108.459 108.800 0.029 0.000 2.418 82 G HA2 -0.214 3.745 3.960 -0.003 0.000 0.217 82 G HA3 -0.214 3.745 3.960 -0.003 0.000 0.217 82 G C 1.541 176.467 174.900 0.043 0.000 1.158 82 G CA 0.525 45.650 45.100 0.041 0.000 0.771 82 G HN 0.215 nan 8.290 nan 0.000 0.545 83 L N 0.221 121.476 121.223 0.053 0.000 2.093 83 L HA -0.007 4.331 4.340 -0.003 0.000 0.208 83 L C 2.807 179.718 176.870 0.069 0.000 1.085 83 L CA 1.520 56.431 54.840 0.119 0.000 0.755 83 L CB -0.267 41.886 42.059 0.157 0.000 0.904 83 L HN 0.270 nan 8.230 nan 0.000 0.435 84 K N 0.471 120.880 120.400 0.015 0.000 2.097 84 K HA -0.248 4.070 4.320 -0.003 0.000 0.205 84 K C 2.016 178.567 176.600 -0.082 0.000 1.050 84 K CA 1.591 57.844 56.287 -0.058 0.000 0.938 84 K CB 0.099 32.580 32.500 -0.032 0.000 0.718 84 K HN 0.089 nan 8.250 nan 0.000 0.442 85 E N 0.927 121.108 120.200 -0.033 0.000 2.106 85 E HA -0.175 4.173 4.350 -0.003 0.000 0.192 85 E C 1.891 178.472 176.600 -0.032 0.000 0.984 85 E CA 0.915 57.300 56.400 -0.025 0.000 0.806 85 E CB -0.230 29.475 29.700 0.009 0.000 0.750 85 E HN 0.342 nan 8.360 nan 0.000 0.458 86 L N 0.166 121.380 121.223 -0.016 0.000 2.056 86 L HA 0.080 4.418 4.340 -0.003 0.000 0.207 86 L C 2.191 178.986 176.870 -0.125 0.000 1.078 86 L CA 2.159 57.001 54.840 0.003 0.000 0.749 86 L CB -0.933 41.175 42.059 0.081 0.000 0.901 86 L HN 0.168 nan 8.230 nan 0.000 0.433 87 A N -0.270 122.346 122.820 -0.341 0.000 1.933 87 A HA -0.229 4.090 4.320 -0.003 0.000 0.218 87 A C 2.547 179.947 177.584 -0.307 0.000 1.175 87 A CA 1.697 53.384 52.037 -0.585 0.000 0.628 87 A CB -0.677 17.648 19.000 -1.124 0.000 0.814 87 A HN 0.523 nan 8.150 nan 0.000 0.444 88 R N -0.120 120.252 120.500 -0.214 0.000 2.083 88 R HA -0.155 4.184 4.340 -0.003 0.000 0.237 88 R C 2.351 178.597 176.300 -0.091 0.000 1.137 88 R CA 1.661 57.681 56.100 -0.135 0.000 0.951 88 R CB -0.261 29.981 30.300 -0.096 0.000 0.851 88 R HN 0.565 nan 8.270 nan 0.000 0.434 89 R N 0.168 120.631 120.500 -0.062 0.000 2.115 89 R HA -0.089 4.249 4.340 -0.003 0.000 0.230 89 R C 2.388 178.673 176.300 -0.025 0.000 1.111 89 R CA 1.357 57.441 56.100 -0.028 0.000 0.976 89 R CB -0.502 29.802 30.300 0.007 0.000 0.870 89 R HN 0.330 nan 8.270 nan 0.000 0.445 90 I N 0.822 121.369 120.570 -0.039 0.000 2.163 90 I HA -0.299 3.869 4.170 -0.003 0.000 0.243 90 I C 2.885 178.970 176.117 -0.054 0.000 1.085 90 I CA 1.467 62.746 61.300 -0.035 0.000 1.347 90 I CB -0.334 37.631 38.000 -0.058 0.000 1.044 90 I HN 0.143 nan 8.210 nan 0.000 0.408 91 R N 0.705 121.153 120.500 -0.086 0.000 2.092 91 R HA -0.194 4.144 4.340 -0.003 0.000 0.231 91 R C 2.292 178.556 176.300 -0.060 0.000 1.119 91 R CA 1.461 57.514 56.100 -0.078 0.000 0.970 91 R CB -0.128 30.112 30.300 -0.100 0.000 0.864 91 R HN 0.382 nan 8.270 nan 0.000 0.440 92 E N -0.351 119.815 120.200 -0.057 0.000 2.208 92 E HA -0.125 4.223 4.350 -0.003 0.000 0.193 92 E C 1.075 177.646 176.600 -0.048 0.000 0.988 92 E CA 0.985 57.355 56.400 -0.050 0.000 0.828 92 E CB 0.089 29.762 29.700 -0.045 0.000 0.763 92 E HN 0.413 nan 8.360 nan 0.000 0.478 93 A N -0.110 122.685 122.820 -0.041 0.000 2.275 93 A HA 0.317 4.636 4.320 -0.003 0.000 0.212 93 A C 1.479 179.034 177.584 -0.049 0.000 1.201 93 A CA 0.759 52.770 52.037 -0.043 0.000 0.843 93 A CB 0.098 19.085 19.000 -0.022 0.000 0.873 93 A HN 0.415 nan 8.150 nan 0.000 0.492 94 G N -2.509 106.264 108.800 -0.044 0.000 2.154 94 G HA2 0.255 4.214 3.960 -0.003 0.000 0.186 94 G HA3 0.255 4.214 3.960 -0.003 0.000 0.186 94 G C 0.173 175.056 174.900 -0.028 0.000 1.000 94 G CA 0.042 45.116 45.100 -0.043 0.000 0.664 94 G HN 1.485 nan 8.290 nan 0.000 0.513 95 A N -0.560 122.247 122.820 -0.022 0.000 2.350 95 A HA 0.891 5.209 4.320 -0.003 0.000 0.318 95 A C 0.190 177.761 177.584 -0.022 0.000 1.132 95 A CA -0.344 51.688 52.037 -0.008 0.000 0.811 95 A CB 1.739 20.747 19.000 0.014 0.000 1.313 95 A HN 1.140 nan 8.150 nan 0.000 0.454 96 V N 2.883 122.789 119.914 -0.014 0.000 2.508 96 V HA 0.276 4.394 4.120 -0.003 0.000 0.281 96 V C -2.064 174.014 176.094 -0.026 0.000 1.041 96 V CA -0.946 61.337 62.300 -0.028 0.000 1.016 96 V CB 0.781 32.593 31.823 -0.019 0.000 0.984 96 V HN 0.738 nan 8.190 nan 0.000 0.478 97 P HA 0.340 nan 4.420 nan 0.000 0.282 97 P C -0.014 177.364 177.300 0.130 0.000 1.274 97 P CA 0.277 63.355 63.100 -0.037 0.000 0.770 97 P CB 1.332 32.843 31.700 -0.314 0.000 0.867 98 G N 2.817 111.724 108.800 0.178 0.000 2.685 98 G HA2 0.768 4.726 3.960 -0.003 0.000 0.298 98 G HA3 0.768 4.726 3.960 -0.003 0.000 0.298 98 G C -1.590 173.301 174.900 -0.016 0.000 1.277 98 G CA -0.860 44.310 45.100 0.117 0.000 0.986 98 G HN 0.561 nan 8.290 nan 0.000 0.487 99 I N -0.956 119.443 120.570 -0.285 0.000 2.752 99 I HA 0.409 4.577 4.170 -0.003 0.000 0.295 99 I C -0.940 175.008 176.117 -0.283 0.000 1.219 99 I CA -0.801 60.213 61.300 -0.477 0.000 1.030 99 I CB 2.458 39.783 38.000 -1.125 0.000 1.259 99 I HN 0.527 nan 8.210 nan 0.000 0.423 100 Q N 7.189 126.873 119.800 -0.194 0.000 2.303 100 Q HA 0.502 4.841 4.340 -0.003 0.000 0.257 100 Q C -1.723 174.241 176.000 -0.061 0.000 0.941 100 Q CA -0.682 55.070 55.803 -0.085 0.000 0.931 100 Q CB 1.202 29.912 28.738 -0.046 0.000 1.215 100 Q HN 0.645 nan 8.270 nan 0.000 0.437 101 L N 2.878 124.109 121.223 0.013 0.000 2.350 101 L HA 0.746 5.084 4.340 -0.003 0.000 0.275 101 L C -0.222 176.790 176.870 0.237 0.000 1.099 101 L CA -0.591 54.287 54.840 0.063 0.000 0.808 101 L CB 1.300 43.446 42.059 0.146 0.000 1.149 101 L HN 0.734 nan 8.230 nan 0.000 0.442 102 A N 2.166 125.036 122.820 0.084 0.000 2.549 102 A HA 0.666 4.984 4.320 -0.003 0.000 0.297 102 A C -1.627 175.943 177.584 -0.023 0.000 1.061 102 A CA -0.471 51.650 52.037 0.140 0.000 0.690 102 A CB 1.727 20.765 19.000 0.063 0.000 1.287 102 A HN 0.748 nan 8.150 nan 0.000 0.402 103 H N 1.439 120.536 119.070 0.045 0.000 2.934 103 H HA 0.611 5.166 4.556 -0.003 0.000 0.340 103 H C 0.183 175.527 175.328 0.026 0.000 1.008 103 H CA 0.167 56.215 56.048 0.000 0.000 1.317 103 H CB 1.964 31.783 29.762 0.095 0.000 1.670 103 H HN 0.772 nan 8.280 nan 0.000 0.516 104 A N 3.643 126.528 122.820 0.108 0.000 2.238 104 A HA 0.299 4.618 4.320 -0.003 0.000 0.208 104 A C 1.634 179.445 177.584 0.378 0.000 1.177 104 A CA 0.810 52.933 52.037 0.143 0.000 0.804 104 A CB -0.553 18.409 19.000 -0.063 0.000 0.823 104 A HN 1.121 nan 8.150 nan 0.000 0.482 105 G N 1.191 110.316 108.800 0.542 0.000 2.652 105 G HA2 -0.463 3.495 3.960 -0.003 0.000 0.318 105 G HA3 -0.463 3.495 3.960 -0.003 0.000 0.318 105 G C 1.108 176.144 174.900 0.226 0.000 1.295 105 G CA 1.317 46.615 45.100 0.330 0.000 0.999 105 G HN 1.143 nan 8.290 nan 0.000 0.548 106 R N 0.683 121.264 120.500 0.133 0.000 2.285 106 R HA 0.142 4.480 4.340 -0.003 0.000 0.213 106 R C 1.777 178.111 176.300 0.055 0.000 1.068 106 R CA 1.760 57.917 56.100 0.094 0.000 1.004 106 R CB -0.192 30.145 30.300 0.062 0.000 0.873 106 R HN 0.475 nan 8.270 nan 0.000 0.467 107 K N 0.870 121.274 120.400 0.007 0.000 2.410 107 K HA 0.260 4.578 4.320 -0.003 0.000 0.200 107 K C 0.111 176.760 176.600 0.081 0.000 1.023 107 K CA 0.053 56.302 56.287 -0.063 0.000 1.149 107 K CB 0.992 33.307 32.500 -0.308 0.000 0.859 107 K HN 0.231 nan 8.250 nan 0.000 0.514 108 A N 1.007 123.891 122.820 0.107 0.000 2.483 108 A HA 0.445 4.763 4.320 -0.003 0.000 0.238 108 A C 0.981 178.457 177.584 -0.180 0.000 1.070 108 A CA 0.637 52.701 52.037 0.045 0.000 0.770 108 A CB -0.236 18.876 19.000 0.188 0.000 1.008 108 A HN 0.472 nan 8.150 nan 0.000 0.497 109 G N 1.184 109.612 108.800 -0.620 0.000 2.520 109 G HA2 0.110 4.068 3.960 -0.003 0.000 0.264 109 G HA3 0.110 4.068 3.960 -0.003 0.000 0.264 109 G C 0.026 174.429 174.900 -0.828 0.000 1.140 109 G CA 0.365 44.582 45.100 -1.471 0.000 1.012 109 G HN 2.166 nan 8.290 nan 0.000 0.511 110 T N -2.104 112.134 114.554 -0.526 0.000 2.908 110 T HA 0.911 5.259 4.350 -0.003 0.000 0.290 110 T C 0.590 175.112 174.700 -0.297 0.000 1.034 110 T CA 0.158 62.060 62.100 -0.329 0.000 1.010 110 T CB 2.258 71.034 68.868 -0.154 0.000 1.068 110 T HN 1.849 nan 8.240 nan 0.000 0.481 111 A N 2.156 124.821 122.820 -0.259 0.000 2.448 111 A HA 0.444 4.763 4.320 -0.003 0.000 0.239 111 A C 0.734 178.100 177.584 -0.363 0.000 1.080 111 A CA -0.495 51.394 52.037 -0.246 0.000 0.779 111 A CB -0.257 18.614 19.000 -0.215 0.000 1.026 111 A HN 0.919 nan 8.150 nan 0.000 0.499 112 R N 1.284 121.496 120.500 -0.480 0.000 2.740 112 R HA 0.035 4.373 4.340 -0.003 0.000 0.263 112 R C -1.805 173.988 176.300 -0.845 0.000 0.997 112 R CA -0.323 55.196 56.100 -0.968 0.000 1.108 112 R CB -0.121 29.352 30.300 -1.378 0.000 0.969 112 R HN 0.480 nan 8.270 nan 0.000 0.431 113 P HA -0.117 nan 4.420 nan 0.000 0.222 113 P C 0.345 177.552 177.300 -0.155 0.000 1.153 113 P CA 1.034 63.924 63.100 -0.351 0.000 0.798 113 P CB 0.062 31.658 31.700 -0.174 0.000 0.796 114 W N -0.415 120.778 121.300 -0.178 0.000 3.256 114 W HA 0.271 4.929 4.660 -0.003 0.000 0.269 114 W C 0.520 176.974 176.519 -0.108 0.000 1.310 114 W CA 0.062 57.334 57.345 -0.122 0.000 1.673 114 W CB -0.931 28.457 29.460 -0.119 0.000 1.115 114 W HN -0.085 nan 8.180 nan 0.000 0.686 115 E N 0.492 120.438 120.200 -0.424 0.000 2.496 115 E HA 0.337 4.685 4.350 -0.003 0.000 0.202 115 E C 1.502 177.991 176.600 -0.185 0.000 1.021 115 E CA 0.296 56.538 56.400 -0.263 0.000 1.015 115 E CB 0.313 29.809 29.700 -0.339 0.000 1.102 115 E HN 0.414 nan 8.360 nan 0.000 0.452 116 G N 0.326 109.037 108.800 -0.148 0.000 2.349 116 G HA2 -0.290 3.669 3.960 -0.003 0.000 0.213 116 G HA3 -0.290 3.669 3.960 -0.003 0.000 0.213 116 G C 0.991 175.816 174.900 -0.124 0.000 1.044 116 G CA -0.286 44.749 45.100 -0.108 0.000 0.633 116 G HN 0.728 nan 8.290 nan 0.000 0.506 117 G N 0.258 108.948 108.800 -0.183 0.000 2.176 117 G HA2 -0.183 3.775 3.960 -0.003 0.000 0.252 117 G HA3 -0.183 3.775 3.960 -0.003 0.000 0.252 117 G C 0.208 175.020 174.900 -0.147 0.000 1.024 117 G CA 1.291 46.287 45.100 -0.174 0.000 0.755 117 G HN 0.914 nan 8.290 nan 0.000 0.507 118 K N 0.165 120.462 120.400 -0.172 0.000 2.098 118 K HA 0.508 4.827 4.320 -0.003 0.000 0.261 118 K C -2.212 174.235 176.600 -0.255 0.000 0.987 118 K CA -2.300 53.865 56.287 -0.204 0.000 0.916 118 K CB 0.876 33.277 32.500 -0.165 0.000 1.039 118 K HN 0.020 nan 8.250 nan 0.000 0.455 119 P HA 0.077 nan 4.420 nan 0.000 0.268 119 P C 0.378 177.518 177.300 -0.268 0.000 1.208 119 P CA 0.146 63.046 63.100 -0.334 0.000 0.777 119 P CB 0.461 31.934 31.700 -0.379 0.000 0.875 120 L N 0.806 121.829 121.223 -0.334 0.000 2.638 120 L HA 0.289 4.627 4.340 -0.003 0.000 0.232 120 L C 1.315 178.146 176.870 -0.066 0.000 1.099 120 L CA 0.519 55.214 54.840 -0.241 0.000 0.883 120 L CB -0.354 41.462 42.059 -0.405 0.000 1.136 120 L HN 0.715 nan 8.230 nan 0.000 0.492 121 G N -0.688 108.071 108.800 -0.067 0.000 2.203 121 G HA2 -0.214 3.745 3.960 -0.003 0.000 0.231 121 G HA3 -0.214 3.745 3.960 -0.003 0.000 0.231 121 G C -0.407 174.633 174.900 0.233 0.000 1.058 121 G CA -0.609 44.530 45.100 0.066 0.000 0.781 121 G HN 0.081 nan 8.290 nan 0.000 0.496 122 W N -0.089 121.204 121.300 -0.011 0.000 2.184 122 W HA 0.558 5.217 4.660 -0.003 0.000 0.338 122 W C 1.199 177.718 176.519 -0.000 0.000 1.257 122 W CA -1.578 55.758 57.345 -0.017 0.000 1.243 122 W CB 0.312 29.756 29.460 -0.027 0.000 1.122 122 W HN 0.107 nan 8.180 nan 0.000 0.585 123 R N 2.119 122.740 120.500 0.202 0.000 3.152 123 R HA 0.113 4.451 4.340 -0.003 0.000 0.209 123 R C 0.180 176.575 176.300 0.158 0.000 1.649 123 R CA -0.194 55.983 56.100 0.128 0.000 1.185 123 R CB -0.798 29.535 30.300 0.055 0.000 1.258 123 R HN 0.297 nan 8.270 nan 0.000 0.656 124 V N 0.286 120.315 119.914 0.192 0.000 2.963 124 V HA 0.307 4.425 4.120 -0.003 0.000 0.306 124 V C 0.586 176.770 176.094 0.149 0.000 1.077 124 V CA -0.710 61.708 62.300 0.198 0.000 1.124 124 V CB 1.222 33.161 31.823 0.193 0.000 0.987 124 V HN 0.224 nan 8.190 nan 0.000 0.487 125 V N 1.003 121.018 119.914 0.168 0.000 2.994 125 V HA 1.116 5.234 4.120 -0.003 0.000 0.318 125 V C 0.313 176.468 176.094 0.101 0.000 1.085 125 V CA 0.238 62.607 62.300 0.116 0.000 0.998 125 V CB 1.091 32.977 31.823 0.104 0.000 1.063 125 V HN 1.643 nan 8.190 nan 0.000 0.447 126 G N 0.823 109.653 108.800 0.050 0.000 2.649 126 G HA2 0.670 4.628 3.960 -0.003 0.000 0.290 126 G HA3 0.670 4.628 3.960 -0.003 0.000 0.290 126 G C -2.663 172.162 174.900 -0.124 0.000 1.426 126 G CA -0.426 44.673 45.100 -0.003 0.000 0.794 126 G HN 0.511 nan 8.290 nan 0.000 0.483 127 P HA 0.111 nan 4.420 nan 0.000 0.217 127 P C 0.586 177.706 177.300 -0.301 0.000 1.154 127 P CA 0.685 63.390 63.100 -0.659 0.000 0.841 127 P CB 0.472 31.540 31.700 -1.053 0.000 0.788 128 S N -0.107 115.475 115.700 -0.198 0.000 2.549 128 S HA 0.412 4.880 4.470 -0.003 0.000 0.280 128 S C -2.763 171.800 174.600 -0.062 0.000 1.109 128 S CA -1.198 56.935 58.200 -0.111 0.000 0.905 128 S CB 2.116 65.256 63.200 -0.100 0.000 1.081 128 S HN 0.003 nan 8.310 nan 0.000 0.477 129 P HA 0.301 nan 4.420 nan 0.000 0.235 129 P C -1.053 176.244 177.300 -0.004 0.000 1.765 129 P CA 0.213 63.306 63.100 -0.011 0.000 1.034 129 P CB -0.803 30.892 31.700 -0.007 0.000 1.984 130 I N 3.300 123.868 120.570 -0.002 0.000 2.468 130 I HA 0.315 4.483 4.170 -0.003 0.000 0.285 130 I C -2.386 173.746 176.117 0.027 0.000 1.039 130 I CA -3.066 58.236 61.300 0.003 0.000 1.074 130 I CB 2.592 40.584 38.000 -0.014 0.000 1.228 130 I HN -0.100 nan 8.210 nan 0.000 0.436 131 P HA 0.016 nan 4.420 nan 0.000 0.269 131 P C 0.523 177.858 177.300 0.060 0.000 1.215 131 P CA -0.182 62.971 63.100 0.087 0.000 0.780 131 P CB 0.696 32.458 31.700 0.102 0.000 0.898 132 F N 1.833 121.710 119.950 -0.121 0.000 2.102 132 F HA -0.086 4.439 4.527 -0.003 0.000 0.298 132 F C 0.625 176.267 175.800 -0.263 0.000 1.105 132 F CA 1.860 59.681 58.000 -0.298 0.000 1.239 132 F CB -0.105 38.515 39.000 -0.633 0.000 0.991 132 F HN 0.408 nan 8.300 nan 0.000 0.474 133 D N -1.941 118.235 120.400 -0.374 0.000 2.851 133 D HA 0.161 4.800 4.640 -0.003 0.000 0.339 133 D C -1.505 174.864 176.300 0.116 0.000 1.347 133 D CA -0.672 53.165 54.000 -0.272 0.000 0.888 133 D CB 0.825 41.326 40.800 -0.499 0.000 1.431 133 D HN 0.004 nan 8.370 nan 0.000 0.509 134 E N -0.492 119.753 120.200 0.076 0.000 2.413 134 E HA 0.366 4.714 4.350 -0.003 0.000 0.263 134 E C 0.564 177.244 176.600 0.132 0.000 1.015 134 E CA 1.074 57.527 56.400 0.089 0.000 0.916 134 E CB 0.804 30.522 29.700 0.029 0.000 0.947 134 E HN 0.707 nan 8.360 nan 0.000 0.440 135 G N 2.500 111.336 108.800 0.060 0.000 2.241 135 G HA2 -0.301 3.658 3.960 -0.003 0.000 0.244 135 G HA3 -0.301 3.658 3.960 -0.003 0.000 0.244 135 G C -0.250 174.580 174.900 -0.117 0.000 0.998 135 G CA -0.092 44.977 45.100 -0.051 0.000 0.621 135 G HN 0.513 nan 8.290 nan 0.000 0.519 136 Y N 2.597 122.920 120.300 0.039 0.000 2.307 136 Y HA 0.515 5.063 4.550 -0.003 0.000 0.324 136 Y C -1.200 174.728 175.900 0.047 0.000 1.238 136 Y CA -1.539 56.599 58.100 0.064 0.000 1.280 136 Y CB 0.853 39.403 38.460 0.149 0.000 1.248 136 Y HN 0.037 nan 8.280 nan 0.000 0.508 137 P HA 0.042 nan 4.420 nan 0.000 0.272 137 P C -0.829 176.550 177.300 0.133 0.000 1.230 137 P CA -0.240 62.934 63.100 0.123 0.000 0.788 137 P CB 0.933 32.697 31.700 0.108 0.000 0.949 138 V N 4.566 124.534 119.914 0.090 0.000 2.439 138 V HA 0.123 4.241 4.120 -0.003 0.000 0.271 138 V C -1.544 174.592 176.094 0.070 0.000 1.040 138 V CA -1.186 61.157 62.300 0.072 0.000 1.002 138 V CB 0.125 31.976 31.823 0.047 0.000 1.000 138 V HN 0.629 nan 8.190 nan 0.000 0.477 139 P HA 0.131 nan 4.420 nan 0.000 0.269 139 P C -0.423 176.901 177.300 0.039 0.000 1.209 139 P CA -0.290 62.849 63.100 0.066 0.000 0.776 139 P CB 0.579 32.312 31.700 0.055 0.000 0.876 140 E N 3.940 124.164 120.200 0.040 0.000 2.249 140 E HA 0.428 4.777 4.350 -0.003 0.000 0.280 140 E C -2.362 174.242 176.600 0.006 0.000 1.016 140 E CA -2.537 53.875 56.400 0.020 0.000 0.830 140 E CB 0.281 29.994 29.700 0.022 0.000 1.081 140 E HN 0.317 nan 8.360 nan 0.000 0.395 141 P HA 0.160 nan 4.420 nan 0.000 0.292 141 P C -0.481 176.800 177.300 -0.031 0.000 1.287 141 P CA -0.480 62.598 63.100 -0.037 0.000 0.800 141 P CB 0.844 32.517 31.700 -0.045 0.000 0.945 142 L N 3.670 124.873 121.223 -0.033 0.000 2.455 142 L HA 0.089 4.427 4.340 -0.003 0.000 0.272 142 L C 1.431 178.261 176.870 -0.066 0.000 1.174 142 L CA -0.010 54.805 54.840 -0.042 0.000 0.869 142 L CB -0.168 41.867 42.059 -0.040 0.000 1.130 142 L HN 0.471 nan 8.230 nan 0.000 0.474 143 D N 1.478 121.839 120.400 -0.065 0.000 2.414 143 D HA 0.003 4.641 4.640 -0.003 0.000 0.259 143 D C 0.628 176.853 176.300 -0.126 0.000 1.269 143 D CA -0.379 53.581 54.000 -0.067 0.000 1.028 143 D CB 0.585 41.361 40.800 -0.039 0.000 1.093 143 D HN 0.484 nan 8.370 nan 0.000 0.545 144 E N -1.071 119.066 120.200 -0.105 0.000 2.158 144 E HA -0.036 4.312 4.350 -0.003 0.000 0.191 144 E C 1.964 178.478 176.600 -0.144 0.000 0.982 144 E CA 0.870 57.176 56.400 -0.158 0.000 0.823 144 E CB -0.104 29.564 29.700 -0.054 0.000 0.766 144 E HN 0.545 nan 8.360 nan 0.000 0.468 145 A N 0.784 123.555 122.820 -0.083 0.000 1.898 145 A HA -0.095 4.223 4.320 -0.003 0.000 0.216 145 A C 2.362 179.906 177.584 -0.068 0.000 1.181 145 A CA 1.609 53.611 52.037 -0.057 0.000 0.620 145 A CB -1.146 17.835 19.000 -0.032 0.000 0.819 145 A HN 0.385 nan 8.150 nan 0.000 0.442 146 G N -0.385 108.366 108.800 -0.082 0.000 2.476 146 G HA2 -0.310 3.649 3.960 -0.003 0.000 0.218 146 G HA3 -0.310 3.649 3.960 -0.003 0.000 0.218 146 G C 1.658 176.484 174.900 -0.123 0.000 1.164 146 G CA 1.393 46.446 45.100 -0.079 0.000 0.768 146 G HN 0.470 nan 8.290 nan 0.000 0.560 147 M N -0.107 119.321 119.600 -0.286 0.000 2.117 147 M HA -0.033 4.445 4.480 -0.003 0.000 0.262 147 M C 2.449 178.649 176.300 -0.167 0.000 1.065 147 M CA 1.732 56.693 55.300 -0.564 0.000 1.114 147 M CB -0.145 31.707 32.600 -1.246 0.000 1.361 147 M HN 0.317 nan 8.290 nan 0.000 0.408 148 E N 0.669 120.807 120.200 -0.105 0.000 2.072 148 E HA -0.168 4.180 4.350 -0.003 0.000 0.190 148 E C 1.919 178.555 176.600 0.058 0.000 0.982 148 E CA 1.315 57.725 56.400 0.016 0.000 0.803 148 E CB -0.177 29.521 29.700 -0.003 0.000 0.755 148 E HN 0.285 nan 8.360 nan 0.000 0.453 149 R N 0.352 120.871 120.500 0.031 0.000 2.094 149 R HA -0.159 4.179 4.340 -0.003 0.000 0.239 149 R C 2.330 178.691 176.300 0.102 0.000 1.137 149 R CA 2.071 58.202 56.100 0.051 0.000 0.943 149 R CB -0.524 29.792 30.300 0.026 0.000 0.850 149 R HN 0.324 nan 8.270 nan 0.000 0.433 150 I N 1.021 121.675 120.570 0.140 0.000 2.315 150 I HA -0.271 3.897 4.170 -0.003 0.000 0.248 150 I C 2.523 178.857 176.117 0.361 0.000 1.117 150 I CA 0.801 62.243 61.300 0.238 0.000 1.404 150 I CB -0.212 37.941 38.000 0.256 0.000 1.071 150 I HN 0.331 nan 8.210 nan 0.000 0.419 151 L N 0.362 121.788 121.223 0.338 0.000 2.046 151 L HA -0.245 4.093 4.340 -0.003 0.000 0.208 151 L C 2.709 179.711 176.870 0.220 0.000 1.077 151 L CA 1.497 56.504 54.840 0.279 0.000 0.747 151 L CB -0.302 41.899 42.059 0.237 0.000 0.896 151 L HN 0.222 nan 8.230 nan 0.000 0.432 152 Q N 0.184 120.080 119.800 0.160 0.000 2.124 152 Q HA -0.168 4.171 4.340 -0.003 0.000 0.202 152 Q C 2.345 178.415 176.000 0.117 0.000 0.977 152 Q CA 1.729 57.602 55.803 0.116 0.000 0.850 152 Q CB -0.614 28.173 28.738 0.082 0.000 0.901 152 Q HN 0.707 nan 8.270 nan 0.000 0.429 153 A N -0.285 122.606 122.820 0.118 0.000 1.972 153 A HA -0.137 4.181 4.320 -0.003 0.000 0.219 153 A C 1.891 179.490 177.584 0.025 0.000 1.169 153 A CA 1.015 53.086 52.037 0.057 0.000 0.635 153 A CB -0.665 18.347 19.000 0.019 0.000 0.810 153 A HN 0.263 nan 8.150 nan 0.000 0.446 154 F N -0.538 119.443 119.950 0.051 0.000 2.163 154 F HA -0.083 4.442 4.527 -0.003 0.000 0.297 154 F C 2.422 178.226 175.800 0.006 0.000 1.094 154 F CA 1.425 59.438 58.000 0.020 0.000 1.290 154 F CB -0.273 38.720 39.000 -0.013 0.000 1.017 154 F HN 0.024 nan 8.300 nan 0.000 0.483 155 V N -0.544 119.490 119.914 0.200 0.000 2.358 155 V HA -0.245 3.873 4.120 -0.003 0.000 0.246 155 V C 2.214 178.355 176.094 0.077 0.000 1.047 155 V CA 1.900 64.268 62.300 0.113 0.000 1.035 155 V CB -0.423 31.451 31.823 0.085 0.000 0.658 155 V HN 0.160 nan 8.190 nan 0.000 0.452 156 E N 0.621 120.863 120.200 0.070 0.000 2.158 156 E HA -0.035 4.313 4.350 -0.003 0.000 0.191 156 E C 2.222 178.841 176.600 0.031 0.000 0.982 156 E CA 1.034 57.463 56.400 0.048 0.000 0.823 156 E CB -0.630 29.101 29.700 0.051 0.000 0.766 156 E HN 0.506 nan 8.360 nan 0.000 0.468 157 G N 0.159 108.973 108.800 0.023 0.000 2.422 157 G HA2 -0.206 3.753 3.960 -0.003 0.000 0.218 157 G HA3 -0.206 3.753 3.960 -0.003 0.000 0.218 157 G C 1.618 176.509 174.900 -0.015 0.000 1.140 157 G CA 0.878 45.967 45.100 -0.017 0.000 0.775 157 G HN 0.393 nan 8.290 nan 0.000 0.545 158 A N 0.938 123.771 122.820 0.022 0.000 1.872 158 A HA 0.070 4.388 4.320 -0.003 0.000 0.214 158 A C 2.419 180.011 177.584 0.012 0.000 1.187 158 A CA 1.311 53.356 52.037 0.013 0.000 0.614 158 A CB -0.351 18.668 19.000 0.032 0.000 0.826 158 A HN 0.310 nan 8.150 nan 0.000 0.442 159 R N -0.860 119.653 120.500 0.021 0.000 2.105 159 R HA -0.157 4.181 4.340 -0.003 0.000 0.239 159 R C 2.461 178.773 176.300 0.020 0.000 1.135 159 R CA 1.704 57.816 56.100 0.020 0.000 0.967 159 R CB -0.294 30.019 30.300 0.023 0.000 0.861 159 R HN 0.567 nan 8.270 nan 0.000 0.442 160 R N 0.475 120.984 120.500 0.014 0.000 2.119 160 R HA -0.008 4.330 4.340 -0.003 0.000 0.222 160 R C 2.150 178.471 176.300 0.035 0.000 1.088 160 R CA 1.085 57.194 56.100 0.016 0.000 0.984 160 R CB -0.086 30.215 30.300 0.002 0.000 0.884 160 R HN 0.190 nan 8.270 nan 0.000 0.447 161 A N 1.020 123.852 122.820 0.020 0.000 1.933 161 A HA -0.101 4.217 4.320 -0.003 0.000 0.218 161 A C 2.088 179.780 177.584 0.180 0.000 1.175 161 A CA 1.050 53.134 52.037 0.078 0.000 0.628 161 A CB -0.431 18.513 19.000 -0.092 0.000 0.814 161 A HN 0.320 nan 8.150 nan 0.000 0.444 162 L N -1.478 119.795 121.223 0.085 0.000 2.056 162 L HA -0.121 4.217 4.340 -0.003 0.000 0.207 162 L C 2.757 179.654 176.870 0.045 0.000 1.078 162 L CA 1.314 56.192 54.840 0.063 0.000 0.749 162 L CB -0.456 41.621 42.059 0.030 0.000 0.901 162 L HN 0.300 nan 8.230 nan 0.000 0.433 163 R N 0.027 120.551 120.500 0.040 0.000 2.193 163 R HA -0.079 4.259 4.340 -0.003 0.000 0.229 163 R C 2.204 178.517 176.300 0.021 0.000 1.110 163 R CA 1.083 57.197 56.100 0.023 0.000 0.988 163 R CB -0.255 30.056 30.300 0.018 0.000 0.871 163 R HN 0.333 nan 8.270 nan 0.000 0.458 164 A N -0.510 122.348 122.820 0.063 0.000 2.169 164 A HA 0.192 4.511 4.320 -0.003 0.000 0.212 164 A C 1.430 178.964 177.584 -0.084 0.000 1.153 164 A CA 0.890 52.955 52.037 0.046 0.000 0.756 164 A CB 0.009 19.134 19.000 0.208 0.000 0.813 164 A HN 0.424 nan 8.150 nan 0.000 0.471 165 G N -2.178 106.585 108.800 -0.062 0.000 2.159 165 G HA2 -0.212 3.746 3.960 -0.003 0.000 0.227 165 G HA3 -0.212 3.746 3.960 -0.003 0.000 0.227 165 G C -0.045 174.712 174.900 -0.238 0.000 0.986 165 G CA -0.104 44.905 45.100 -0.151 0.000 0.651 165 G HN 0.278 nan 8.290 nan 0.000 0.523 166 F N 1.002 120.907 119.950 -0.075 0.000 2.484 166 F HA 0.428 4.954 4.527 -0.002 0.000 0.360 166 F C 1.746 177.491 175.800 -0.092 0.000 1.101 166 F CA 0.642 58.586 58.000 -0.094 0.000 1.251 166 F CB 0.978 39.913 39.000 -0.109 0.000 1.132 166 F HN 0.108 nan 8.300 nan 0.000 0.570 167 Q N 1.153 120.981 119.800 0.047 0.000 2.281 167 Q HA 0.258 4.596 4.340 -0.003 0.000 0.215 167 Q C -0.884 175.083 176.000 -0.055 0.000 0.867 167 Q CA 0.170 55.964 55.803 -0.015 0.000 0.940 167 Q CB 1.135 29.849 28.738 -0.041 0.000 1.111 167 Q HN 0.365 nan 8.270 nan 0.000 0.513 168 V N 1.743 121.609 119.914 -0.080 0.000 2.569 168 V HA 0.317 4.435 4.120 -0.003 0.000 0.301 168 V C -0.967 174.971 176.094 -0.261 0.000 1.044 168 V CA -0.720 61.421 62.300 -0.266 0.000 0.874 168 V CB 2.080 33.618 31.823 -0.474 0.000 1.002 168 V HN 0.106 nan 8.190 nan 0.000 0.424 169 I N 3.723 124.141 120.570 -0.254 0.000 2.377 169 I HA 0.525 4.693 4.170 -0.003 0.000 0.293 169 I C 0.108 176.113 176.117 -0.187 0.000 0.987 169 I CA -0.391 60.800 61.300 -0.182 0.000 1.185 169 I CB 1.765 39.711 38.000 -0.091 0.000 1.341 169 I HN 0.759 nan 8.210 nan 0.000 0.455 170 E N 6.452 126.579 120.200 -0.121 0.000 2.171 170 E HA 0.501 4.850 4.350 -0.003 0.000 0.271 170 E C -1.463 175.164 176.600 0.044 0.000 0.916 170 E CA -0.677 55.728 56.400 0.008 0.000 0.774 170 E CB 1.719 31.461 29.700 0.070 0.000 1.128 170 E HN 0.488 nan 8.360 nan 0.000 0.403 171 L N 4.348 125.608 121.223 0.062 0.000 2.265 171 L HA 0.206 4.544 4.340 -0.003 0.000 0.288 171 L C 0.071 177.009 176.870 0.112 0.000 1.058 171 L CA -0.762 54.117 54.840 0.066 0.000 0.809 171 L CB 0.640 42.662 42.059 -0.062 0.000 1.179 171 L HN 0.531 nan 8.230 nan 0.000 0.429 172 H N 5.990 125.106 119.070 0.076 0.000 2.934 172 H HA 0.236 4.790 4.556 -0.003 0.000 0.273 172 H C -0.150 175.192 175.328 0.023 0.000 1.121 172 H CA 0.025 56.105 56.048 0.053 0.000 1.451 172 H CB 0.752 30.567 29.762 0.088 0.000 1.469 172 H HN 0.539 nan 8.280 nan 0.000 0.476 173 M N 4.454 124.215 119.600 0.268 0.000 2.876 173 M HA 0.377 4.855 4.480 -0.003 0.000 0.367 173 M C -0.114 176.193 176.300 0.011 0.000 1.242 173 M CA -0.262 55.074 55.300 0.060 0.000 0.889 173 M CB 0.664 33.264 32.600 -0.001 0.000 1.353 173 M HN 0.467 nan 8.290 nan 0.000 0.511 174 A N -1.128 121.783 122.820 0.150 0.000 2.389 174 A HA 0.717 5.035 4.320 -0.003 0.000 0.293 174 A C 0.034 177.645 177.584 0.045 0.000 1.186 174 A CA -0.407 51.618 52.037 -0.021 0.000 0.828 174 A CB 0.391 19.215 19.000 -0.292 0.000 1.369 174 A HN 0.760 nan 8.150 nan 0.000 0.446 175 H N -1.112 117.997 119.070 0.066 0.000 2.958 175 H HA -0.213 4.342 4.556 -0.003 0.000 0.274 175 H C 1.222 176.268 175.328 -0.470 0.000 1.184 175 H CA 1.087 57.093 56.048 -0.070 0.000 1.143 175 H CB -1.425 28.419 29.762 0.136 0.000 1.297 175 H HN 2.272 nan 8.280 nan 0.000 0.356 176 G N -1.650 107.010 108.800 -0.234 0.000 2.159 176 G HA2 -0.369 3.589 3.960 -0.003 0.000 0.256 176 G HA3 -0.369 3.589 3.960 -0.003 0.000 0.256 176 G C 0.107 174.778 174.900 -0.382 0.000 0.977 176 G CA 0.557 45.481 45.100 -0.294 0.000 0.652 176 G HN 0.490 nan 8.290 nan 0.000 0.531 177 Y N -1.027 119.211 120.300 -0.103 0.000 2.262 177 Y HA 0.558 5.106 4.550 -0.003 0.000 0.368 177 Y C 1.892 177.778 175.900 -0.024 0.000 1.352 177 Y CA -0.395 57.643 58.100 -0.102 0.000 1.760 177 Y CB -0.418 37.911 38.460 -0.219 0.000 1.627 177 Y HN 0.069 nan 8.280 nan 0.000 0.606 178 L N 0.337 121.716 121.223 0.261 0.000 1.956 178 L HA -0.227 4.111 4.340 -0.003 0.000 0.216 178 L C 1.819 178.827 176.870 0.230 0.000 1.073 178 L CA 1.889 56.869 54.840 0.233 0.000 0.762 178 L CB -1.023 41.143 42.059 0.178 0.000 0.889 178 L HN 0.667 nan 8.230 nan 0.000 0.433 179 L N -1.102 120.176 121.223 0.091 0.000 2.093 179 L HA -0.150 4.189 4.340 -0.003 0.000 0.208 179 L C 2.721 179.557 176.870 -0.056 0.000 1.085 179 L CA 1.288 56.102 54.840 -0.042 0.000 0.755 179 L CB -0.884 41.020 42.059 -0.258 0.000 0.904 179 L HN 0.472 nan 8.230 nan 0.000 0.435 180 S N 0.198 115.845 115.700 -0.088 0.000 2.383 180 S HA -0.207 4.261 4.470 -0.003 0.000 0.229 180 S C 2.248 176.756 174.600 -0.154 0.000 1.030 180 S CA 1.792 59.873 58.200 -0.197 0.000 1.002 180 S CB -0.264 62.846 63.200 -0.150 0.000 0.829 180 S HN 0.595 nan 8.310 nan 0.000 0.467 181 S N -0.375 115.308 115.700 -0.029 0.000 2.453 181 S HA 0.059 4.527 4.470 -0.003 0.000 0.231 181 S C 1.564 176.151 174.600 -0.022 0.000 1.005 181 S CA 0.546 58.728 58.200 -0.029 0.000 0.949 181 S CB -0.855 62.337 63.200 -0.013 0.000 0.774 181 S HN 0.554 nan 8.310 nan 0.000 0.510 182 F N 1.693 121.598 119.950 -0.074 0.000 2.163 182 F HA 0.189 4.714 4.527 -0.003 0.000 0.297 182 F C 2.214 177.958 175.800 -0.094 0.000 1.094 182 F CA 0.934 58.918 58.000 -0.026 0.000 1.290 182 F CB -0.293 38.739 39.000 0.055 0.000 1.017 182 F HN 0.150 nan 8.300 nan 0.000 0.483 183 L N -0.911 120.251 121.223 -0.102 0.000 1.989 183 L HA -0.197 4.141 4.340 -0.003 0.000 0.211 183 L C 1.472 178.261 176.870 -0.135 0.000 1.071 183 L CA 0.964 55.563 54.840 -0.401 0.000 0.749 183 L CB -0.816 40.539 42.059 -1.173 0.000 0.890 183 L HN 0.019 nan 8.230 nan 0.000 0.431 184 S N 0.161 115.782 115.700 -0.132 0.000 2.545 184 S HA 0.177 4.646 4.470 -0.003 0.000 0.275 184 S C -1.584 173.053 174.600 0.062 0.000 1.299 184 S CA -1.468 56.755 58.200 0.040 0.000 1.048 184 S CB 1.055 64.245 63.200 -0.016 0.000 0.938 184 S HN -0.037 nan 8.310 nan 0.000 0.496 185 P HA 0.068 nan 4.420 nan 0.000 0.241 185 P C 1.161 178.477 177.300 0.027 0.000 1.191 185 P CA 0.422 63.555 63.100 0.056 0.000 0.771 185 P CB -0.046 31.691 31.700 0.061 0.000 0.929 186 L N -0.116 121.125 121.223 0.030 0.000 2.156 186 L HA -0.084 4.254 4.340 -0.003 0.000 0.208 186 L C 2.298 179.164 176.870 -0.006 0.000 1.095 186 L CA 1.954 56.802 54.840 0.014 0.000 0.770 186 L CB -0.940 41.133 42.059 0.024 0.000 0.914 186 L HN 0.125 nan 8.230 nan 0.000 0.439 187 S N -2.424 113.266 115.700 -0.016 0.000 2.524 187 S HA 0.073 4.541 4.470 -0.003 0.000 0.222 187 S C 0.754 175.309 174.600 -0.076 0.000 1.040 187 S CA -0.401 57.778 58.200 -0.036 0.000 0.915 187 S CB -0.042 63.139 63.200 -0.032 0.000 0.831 187 S HN 0.294 nan 8.310 nan 0.000 0.492 188 N N 1.961 120.616 118.700 -0.075 0.000 2.511 188 N HA 0.292 5.030 4.740 -0.003 0.000 0.249 188 N C -0.737 174.738 175.510 -0.057 0.000 0.971 188 N CA -0.140 52.841 53.050 -0.114 0.000 0.938 188 N CB 1.029 39.441 38.487 -0.124 0.000 1.131 188 N HN 0.078 nan 8.380 nan 0.000 0.505 189 Q N 2.377 122.141 119.800 -0.060 0.000 2.182 189 Q HA 0.240 4.578 4.340 -0.003 0.000 0.305 189 Q C -0.287 175.698 176.000 -0.026 0.000 0.880 189 Q CA -0.216 55.569 55.803 -0.030 0.000 1.131 189 Q CB 0.613 29.337 28.738 -0.024 0.000 1.237 189 Q HN 0.498 nan 8.270 nan 0.000 0.447 190 R N 0.211 120.693 120.500 -0.030 0.000 2.641 190 R HA 0.150 4.488 4.340 -0.003 0.000 0.269 190 R C 1.214 177.522 176.300 0.014 0.000 1.074 190 R CA 0.576 56.671 56.100 -0.008 0.000 1.133 190 R CB 0.476 30.782 30.300 0.011 0.000 1.029 190 R HN 0.088 nan 8.270 nan 0.000 0.488 191 T N -3.520 111.045 114.554 0.018 0.000 3.040 191 T HA 0.025 4.373 4.350 -0.003 0.000 0.266 191 T C 0.296 175.010 174.700 0.023 0.000 1.005 191 T CA -0.490 61.621 62.100 0.017 0.000 0.906 191 T CB -0.154 68.719 68.868 0.009 0.000 1.082 191 T HN 0.640 nan 8.240 nan 0.000 0.531 192 D N 2.067 122.494 120.400 0.045 0.000 2.403 192 D HA 0.418 5.057 4.640 -0.003 0.000 0.278 192 D C 1.600 177.910 176.300 0.018 0.000 1.230 192 D CA -0.285 53.746 54.000 0.051 0.000 1.062 192 D CB -0.058 40.805 40.800 0.104 0.000 1.119 192 D HN 0.065 nan 8.370 nan 0.000 0.557 193 A N -1.716 121.073 122.820 -0.052 0.000 2.239 193 A HA -0.025 4.293 4.320 -0.003 0.000 0.209 193 A C 0.754 178.081 177.584 -0.428 0.000 1.171 193 A CA 0.535 52.413 52.037 -0.266 0.000 0.768 193 A CB -0.923 17.832 19.000 -0.409 0.000 0.790 193 A HN 0.505 nan 8.150 nan 0.000 0.478 194 Y N -1.306 119.052 120.300 0.097 0.000 2.612 194 Y HA 0.431 4.979 4.550 -0.003 0.000 0.250 194 Y C 1.231 177.223 175.900 0.152 0.000 1.175 194 Y CA -0.114 58.091 58.100 0.175 0.000 1.205 194 Y CB 0.494 39.115 38.460 0.268 0.000 1.201 194 Y HN 0.277 nan 8.280 nan 0.000 0.532 195 G N -1.752 107.142 108.800 0.157 0.000 2.798 195 G HA2 0.537 4.495 3.960 -0.003 0.000 0.286 195 G HA3 0.537 4.495 3.960 -0.003 0.000 0.286 195 G C 0.353 175.286 174.900 0.056 0.000 1.389 195 G CA -0.220 44.935 45.100 0.093 0.000 0.894 195 G HN 0.356 nan 8.290 nan 0.000 0.488 196 G N -0.140 108.687 108.800 0.044 0.000 3.127 196 G HA2 -0.064 3.894 3.960 -0.003 0.000 0.280 196 G HA3 -0.064 3.894 3.960 -0.003 0.000 0.280 196 G C 1.133 176.055 174.900 0.036 0.000 1.491 196 G CA 1.035 46.153 45.100 0.030 0.000 1.029 196 G HN 2.306 nan 8.290 nan 0.000 0.582 197 S N 1.166 116.883 115.700 0.028 0.000 2.589 197 S HA 0.470 4.938 4.470 -0.003 0.000 0.265 197 S C 1.550 176.182 174.600 0.052 0.000 1.342 197 S CA 0.509 58.725 58.200 0.026 0.000 1.005 197 S CB 1.516 64.724 63.200 0.013 0.000 0.909 197 S HN 1.788 nan 8.310 nan 0.000 0.555 198 L N 0.868 122.114 121.223 0.038 0.000 1.990 198 L HA -0.105 4.233 4.340 -0.003 0.000 0.213 198 L C 2.545 179.479 176.870 0.106 0.000 1.072 198 L CA 2.027 56.903 54.840 0.060 0.000 0.755 198 L CB -1.160 40.887 42.059 -0.020 0.000 0.889 198 L HN 0.892 nan 8.230 nan 0.000 0.432 199 E N -0.620 119.623 120.200 0.071 0.000 2.153 199 E HA -0.214 4.135 4.350 -0.003 0.000 0.194 199 E C 1.890 178.539 176.600 0.081 0.000 0.988 199 E CA 1.187 57.635 56.400 0.080 0.000 0.811 199 E CB -0.091 29.635 29.700 0.044 0.000 0.746 199 E HN 0.584 nan 8.360 nan 0.000 0.466 200 N N 0.627 119.363 118.700 0.060 0.000 2.106 200 N HA -0.092 4.646 4.740 -0.003 0.000 0.188 200 N C 1.717 177.318 175.510 0.152 0.000 1.029 200 N CA 0.896 53.973 53.050 0.044 0.000 0.848 200 N CB -0.202 38.298 38.487 0.023 0.000 1.007 200 N HN 0.095 nan 8.380 nan 0.000 0.423 201 R N -0.001 120.606 120.500 0.178 0.000 2.120 201 R HA 0.074 4.412 4.340 -0.003 0.000 0.234 201 R C 1.964 178.402 176.300 0.229 0.000 1.123 201 R CA 0.928 57.169 56.100 0.236 0.000 0.975 201 R CB -0.152 30.275 30.300 0.211 0.000 0.866 201 R HN 0.298 nan 8.270 nan 0.000 0.446 202 M N -0.395 119.332 119.600 0.212 0.000 2.419 202 M HA -0.062 4.416 4.480 -0.003 0.000 0.264 202 M C 2.222 178.657 176.300 0.226 0.000 1.082 202 M CA 1.002 56.428 55.300 0.210 0.000 1.119 202 M CB -0.184 32.606 32.600 0.316 0.000 1.398 202 M HN 0.091 nan 8.290 nan 0.000 0.453 203 R N 0.551 121.190 120.500 0.232 0.000 2.122 203 R HA -0.236 4.103 4.340 -0.003 0.000 0.236 203 R C 2.125 178.624 176.300 0.332 0.000 1.129 203 R CA 2.225 58.472 56.100 0.244 0.000 0.925 203 R CB -0.465 29.920 30.300 0.141 0.000 0.850 203 R HN 0.285 nan 8.270 nan 0.000 0.431 204 F N 1.344 121.429 119.950 0.226 0.000 2.146 204 F HA 0.015 4.540 4.527 -0.003 0.000 0.298 204 F C -1.214 174.482 175.800 -0.173 0.000 1.096 204 F CA 0.597 58.550 58.000 -0.079 0.000 1.275 204 F CB -1.083 37.578 39.000 -0.565 0.000 1.008 204 F HN 0.066 nan 8.300 nan 0.000 0.480 205 P HA -0.144 nan 4.420 nan 0.000 0.217 205 P C 2.125 179.337 177.300 -0.146 0.000 1.150 205 P CA 1.646 64.533 63.100 -0.354 0.000 0.832 205 P CB -0.138 31.476 31.700 -0.144 0.000 0.787 206 L N -1.171 120.074 121.223 0.037 0.000 2.201 206 L HA -0.154 4.184 4.340 -0.003 0.000 0.212 206 L C 2.565 179.414 176.870 -0.035 0.000 1.105 206 L CA 1.355 56.212 54.840 0.028 0.000 0.775 206 L CB -0.734 41.386 42.059 0.102 0.000 0.913 206 L HN 0.004 nan 8.230 nan 0.000 0.440 207 Q N -0.810 118.972 119.800 -0.030 0.000 2.083 207 Q HA -0.149 4.189 4.340 -0.003 0.000 0.198 207 Q C 2.365 178.304 176.000 -0.102 0.000 0.969 207 Q CA 1.284 57.080 55.803 -0.011 0.000 0.838 207 Q CB -0.024 28.783 28.738 0.115 0.000 0.900 207 Q HN 0.320 nan 8.270 nan 0.000 0.436 208 V N 0.906 120.654 119.914 -0.276 0.000 2.295 208 V HA -0.308 3.810 4.120 -0.003 0.000 0.246 208 V C 2.249 178.194 176.094 -0.249 0.000 1.049 208 V CA 1.904 63.994 62.300 -0.350 0.000 1.024 208 V CB -1.024 30.372 31.823 -0.711 0.000 0.648 208 V HN 0.418 nan 8.190 nan 0.000 0.447 209 A N -0.825 121.861 122.820 -0.224 0.000 1.883 209 A HA -0.331 3.987 4.320 -0.003 0.000 0.217 209 A C 2.270 179.794 177.584 -0.100 0.000 1.186 209 A CA 2.260 54.203 52.037 -0.157 0.000 0.624 209 A CB -0.623 18.285 19.000 -0.154 0.000 0.822 209 A HN 0.605 nan 8.150 nan 0.000 0.444 210 Q N -0.716 119.035 119.800 -0.083 0.000 2.096 210 Q HA -0.160 4.179 4.340 -0.003 0.000 0.204 210 Q C 2.152 178.134 176.000 -0.031 0.000 0.982 210 Q CA 1.780 57.555 55.803 -0.047 0.000 0.850 210 Q CB -0.313 28.408 28.738 -0.029 0.000 0.901 210 Q HN 0.622 nan 8.270 nan 0.000 0.422 211 A N -0.484 122.317 122.820 -0.032 0.000 1.970 211 A HA -0.040 4.279 4.320 -0.003 0.000 0.216 211 A C 2.107 179.690 177.584 -0.002 0.000 1.170 211 A CA 0.984 53.018 52.037 -0.006 0.000 0.645 211 A CB -0.254 18.751 19.000 0.009 0.000 0.816 211 A HN 0.292 nan 8.150 nan 0.000 0.447 212 V N 0.094 119.997 119.914 -0.019 0.000 2.453 212 V HA -0.193 3.925 4.120 -0.003 0.000 0.247 212 V C 2.613 178.702 176.094 -0.008 0.000 1.048 212 V CA 2.178 64.476 62.300 -0.003 0.000 1.049 212 V CB -0.755 31.060 31.823 -0.012 0.000 0.672 212 V HN 0.652 nan 8.190 nan 0.000 0.457 213 R N 0.933 121.421 120.500 -0.021 0.000 2.120 213 R HA -0.164 4.174 4.340 -0.003 0.000 0.234 213 R C 2.020 178.316 176.300 -0.007 0.000 1.123 213 R CA 1.690 57.781 56.100 -0.016 0.000 0.975 213 R CB -0.446 29.839 30.300 -0.025 0.000 0.866 213 R HN 0.598 nan 8.270 nan 0.000 0.446 214 E N -0.478 119.719 120.200 -0.005 0.000 2.265 214 E HA -0.117 4.231 4.350 -0.003 0.000 0.196 214 E C 1.391 177.994 176.600 0.005 0.000 0.996 214 E CA 1.379 57.779 56.400 0.001 0.000 0.832 214 E CB 0.167 29.870 29.700 0.005 0.000 0.756 214 E HN 0.410 nan 8.360 nan 0.000 0.491 215 V N -2.447 117.471 119.914 0.007 0.000 3.578 215 V HA 0.169 4.287 4.120 -0.003 0.000 0.290 215 V C 0.415 176.514 176.094 0.008 0.000 1.376 215 V CA -0.346 61.960 62.300 0.011 0.000 1.083 215 V CB 0.618 32.452 31.823 0.018 0.000 0.911 215 V HN -0.164 nan 8.190 nan 0.000 0.433 216 V N 4.325 124.241 119.914 0.004 0.000 2.311 216 V HA 0.456 4.575 4.120 -0.003 0.000 0.275 216 V C -2.017 174.077 176.094 -0.000 0.000 1.022 216 V CA -1.762 60.538 62.300 0.000 0.000 0.830 216 V CB 0.856 32.677 31.823 -0.004 0.000 1.012 216 V HN 0.343 nan 8.190 nan 0.000 0.452 217 P HA 0.057 nan 4.420 nan 0.000 0.269 217 P C 0.776 178.076 177.300 0.000 0.000 1.217 217 P CA -0.324 62.776 63.100 -0.000 0.000 0.783 217 P CB 0.650 32.350 31.700 -0.001 0.000 0.898 218 R N 0.782 121.282 120.500 0.001 0.000 2.241 218 R HA -0.147 4.191 4.340 -0.003 0.000 0.224 218 R C 1.065 177.369 176.300 0.006 0.000 1.101 218 R CA 1.364 57.467 56.100 0.004 0.000 0.995 218 R CB -0.640 29.662 30.300 0.003 0.000 0.870 218 R HN 0.298 nan 8.270 nan 0.000 0.463 219 E N 1.098 121.300 120.200 0.003 0.000 2.152 219 E HA 0.086 4.434 4.350 -0.003 0.000 0.192 219 E C 0.151 176.752 176.600 0.002 0.000 0.983 219 E CA 0.645 57.046 56.400 0.002 0.000 0.818 219 E CB 0.133 29.832 29.700 -0.002 0.000 0.758 219 E HN 0.315 nan 8.360 nan 0.000 0.467 220 L N 1.882 123.103 121.223 -0.003 0.000 2.289 220 L HA 0.388 4.726 4.340 -0.003 0.000 0.285 220 L C -2.293 174.571 176.870 -0.011 0.000 1.049 220 L CA -2.384 52.447 54.840 -0.015 0.000 0.804 220 L CB 1.005 43.051 42.059 -0.022 0.000 1.195 220 L HN -0.217 nan 8.230 nan 0.000 0.428 221 P HA 0.159 nan 4.420 nan 0.000 0.275 221 P C -0.918 176.371 177.300 -0.019 0.000 1.227 221 P CA -0.370 62.755 63.100 0.042 0.000 0.781 221 P CB 0.960 32.735 31.700 0.124 0.000 0.906 222 L N 4.719 125.994 121.223 0.086 0.000 2.298 222 L HA 0.517 4.855 4.340 -0.003 0.000 0.284 222 L C -1.222 175.822 176.870 0.291 0.000 1.013 222 L CA -0.353 54.535 54.840 0.080 0.000 0.824 222 L CB -0.208 41.874 42.059 0.037 0.000 1.221 222 L HN 0.094 nan 8.230 nan 0.000 0.418 223 F N 4.289 124.219 119.950 -0.033 0.000 2.403 223 F HA 0.634 5.160 4.527 -0.003 0.000 0.326 223 F C 0.196 175.967 175.800 -0.048 0.000 1.081 223 F CA -1.078 56.900 58.000 -0.037 0.000 1.041 223 F CB 1.835 40.818 39.000 -0.028 0.000 1.234 223 F HN 0.090 nan 8.300 nan 0.000 0.503 224 V N 2.697 122.680 119.914 0.114 0.000 2.531 224 V HA 0.427 4.545 4.120 -0.003 0.000 0.301 224 V C -0.271 175.850 176.094 0.044 0.000 1.034 224 V CA -1.040 61.292 62.300 0.052 0.000 0.865 224 V CB 2.050 33.863 31.823 -0.017 0.000 0.995 224 V HN 0.664 nan 8.190 nan 0.000 0.424 225 R N 3.246 123.771 120.500 0.041 0.000 2.349 225 R HA 0.784 5.122 4.340 -0.003 0.000 0.299 225 R C -1.377 174.936 176.300 0.020 0.000 1.027 225 R CA -0.201 55.897 56.100 -0.003 0.000 0.958 225 R CB 1.731 31.968 30.300 -0.105 0.000 1.047 225 R HN 0.531 nan 8.270 nan 0.000 0.468 226 V N 2.792 122.714 119.914 0.013 0.000 2.962 226 V HA 0.374 4.493 4.120 -0.003 0.000 0.313 226 V C -0.868 175.192 176.094 -0.058 0.000 1.099 226 V CA -0.593 61.701 62.300 -0.010 0.000 0.971 226 V CB 2.705 34.585 31.823 0.096 0.000 1.028 226 V HN 0.904 nan 8.190 nan 0.000 0.430 227 S N 4.212 119.835 115.700 -0.128 0.000 2.400 227 S HA 0.396 4.864 4.470 -0.003 0.000 0.295 227 S C 1.132 175.630 174.600 -0.169 0.000 1.113 227 S CA 0.233 58.375 58.200 -0.096 0.000 1.064 227 S CB 1.181 64.345 63.200 -0.061 0.000 0.990 227 S HN 1.083 nan 8.310 nan 0.000 0.502 228 A N 3.438 126.130 122.820 -0.214 0.000 2.019 228 A HA 0.059 4.377 4.320 -0.003 0.000 0.219 228 A C 1.376 178.725 177.584 -0.392 0.000 1.164 228 A CA 1.305 53.169 52.037 -0.289 0.000 0.644 228 A CB -0.078 18.581 19.000 -0.567 0.000 0.805 228 A HN 0.642 nan 8.150 nan 0.000 0.449 229 T N -1.788 112.386 114.554 -0.633 0.000 2.900 229 T HA 0.419 4.768 4.350 -0.003 0.000 0.303 229 T C -0.432 174.008 174.700 -0.433 0.000 1.142 229 T CA 0.101 61.897 62.100 -0.506 0.000 1.007 229 T CB 1.636 69.933 68.868 -0.951 0.000 1.156 229 T HN 0.233 nan 8.240 nan 0.000 0.490 230 D N 0.883 121.184 120.400 -0.165 0.000 2.339 230 D HA 0.077 4.715 4.640 -0.003 0.000 0.217 230 D C 0.558 176.941 176.300 0.137 0.000 1.050 230 D CA -0.028 53.963 54.000 -0.015 0.000 0.856 230 D CB -0.456 40.378 40.800 0.057 0.000 0.922 230 D HN 0.829 nan 8.370 nan 0.000 0.518 231 W N -0.655 120.693 121.300 0.080 0.000 2.869 231 W HA -0.149 4.509 4.660 -0.003 0.000 0.285 231 W C 0.730 177.284 176.519 0.058 0.000 1.098 231 W CA -0.006 57.388 57.345 0.082 0.000 0.571 231 W CB -1.625 27.894 29.460 0.099 0.000 2.131 231 W HN 0.287 nan 8.180 nan 0.000 1.367 232 G N 0.609 109.527 108.800 0.198 0.000 2.379 232 G HA2 0.504 4.462 3.960 -0.003 0.000 0.327 232 G HA3 0.504 4.462 3.960 -0.003 0.000 0.327 232 G C -0.231 174.725 174.900 0.092 0.000 1.145 232 G CA -0.821 44.359 45.100 0.134 0.000 0.905 232 G HN -0.054 nan 8.290 nan 0.000 0.466 233 E N 0.673 120.919 120.200 0.078 0.000 2.868 233 E HA 0.074 4.422 4.350 -0.003 0.000 0.246 233 E C 1.464 178.086 176.600 0.037 0.000 0.962 233 E CA 1.539 57.970 56.400 0.053 0.000 0.955 233 E CB 0.487 30.211 29.700 0.041 0.000 0.903 233 E HN 1.164 nan 8.360 nan 0.000 0.524 234 G N 3.073 111.888 108.800 0.025 0.000 2.155 234 G HA2 -0.285 3.673 3.960 -0.003 0.000 0.257 234 G HA3 -0.285 3.673 3.960 -0.003 0.000 0.257 234 G C 0.703 175.615 174.900 0.020 0.000 0.983 234 G CA 0.450 45.557 45.100 0.012 0.000 0.676 234 G HN 0.768 nan 8.290 nan 0.000 0.528 235 G N -1.334 107.487 108.800 0.035 0.000 2.494 235 G HA2 0.390 4.348 3.960 -0.003 0.000 0.270 235 G HA3 0.390 4.348 3.960 -0.003 0.000 0.270 235 G C 0.250 175.197 174.900 0.078 0.000 1.423 235 G CA -0.186 44.954 45.100 0.067 0.000 1.055 235 G HN 0.524 nan 8.290 nan 0.000 0.536 236 W N 1.394 122.638 121.300 -0.093 0.000 2.216 236 W HA 0.458 5.116 4.660 -0.003 0.000 0.326 236 W C 0.266 176.674 176.519 -0.184 0.000 1.319 236 W CA -0.065 57.201 57.345 -0.131 0.000 1.213 236 W CB 0.984 30.353 29.460 -0.152 0.000 1.171 236 W HN 0.555 nan 8.180 nan 0.000 0.557 237 S N 4.541 119.937 115.700 -0.505 0.000 2.715 237 S HA 0.318 4.787 4.470 -0.003 0.000 0.307 237 S C 0.332 174.664 174.600 -0.448 0.000 1.119 237 S CA -0.805 57.165 58.200 -0.384 0.000 0.937 237 S CB 1.678 64.701 63.200 -0.294 0.000 1.150 237 S HN 0.528 nan 8.310 nan 0.000 0.521 238 L N 1.031 122.080 121.223 -0.291 0.000 2.042 238 L HA 0.019 4.358 4.340 -0.003 0.000 0.210 238 L C 2.411 179.177 176.870 -0.173 0.000 1.076 238 L CA 2.029 56.757 54.840 -0.186 0.000 0.749 238 L CB -1.250 40.796 42.059 -0.021 0.000 0.893 238 L HN 0.818 nan 8.230 nan 0.000 0.432 239 E N 0.051 120.132 120.200 -0.199 0.000 2.085 239 E HA -0.219 4.130 4.350 -0.003 0.000 0.194 239 E C 1.932 178.366 176.600 -0.278 0.000 0.994 239 E CA 1.461 57.750 56.400 -0.184 0.000 0.801 239 E CB -0.364 29.237 29.700 -0.165 0.000 0.743 239 E HN 0.603 nan 8.360 nan 0.000 0.453 240 D N -0.039 120.039 120.400 -0.537 0.000 2.104 240 D HA -0.115 4.523 4.640 -0.003 0.000 0.194 240 D C 1.913 177.904 176.300 -0.516 0.000 0.994 240 D CA 1.424 54.906 54.000 -0.865 0.000 0.830 240 D CB -0.453 39.157 40.800 -1.983 0.000 0.959 240 D HN 0.151 nan 8.370 nan 0.000 0.452 241 T N 1.711 116.089 114.554 -0.294 0.000 2.720 241 T HA -0.125 4.223 4.350 -0.003 0.000 0.268 241 T C 2.250 177.054 174.700 0.173 0.000 1.037 241 T CA 0.623 62.865 62.100 0.236 0.000 1.144 241 T CB -0.354 68.647 68.868 0.222 0.000 0.864 241 T HN 0.139 nan 8.240 nan 0.000 0.444 242 L N 0.765 122.010 121.223 0.037 0.000 2.013 242 L HA -0.209 4.129 4.340 -0.003 0.000 0.212 242 L C 3.067 179.967 176.870 0.049 0.000 1.073 242 L CA 1.607 56.467 54.840 0.033 0.000 0.753 242 L CB -0.806 41.249 42.059 -0.007 0.000 0.890 242 L HN 0.259 nan 8.230 nan 0.000 0.432 243 A N -0.444 122.396 122.820 0.033 0.000 1.902 243 A HA -0.251 4.068 4.320 -0.003 0.000 0.217 243 A C 2.167 179.848 177.584 0.163 0.000 1.181 243 A CA 1.541 53.612 52.037 0.057 0.000 0.623 243 A CB -0.775 18.228 19.000 0.005 0.000 0.818 243 A HN 0.395 nan 8.150 nan 0.000 0.443 244 F N 1.027 121.026 119.950 0.082 0.000 2.146 244 F HA 0.000 4.525 4.527 -0.003 0.000 0.298 244 F C 2.526 178.374 175.800 0.079 0.000 1.096 244 F CA 0.837 58.926 58.000 0.147 0.000 1.275 244 F CB -0.665 38.536 39.000 0.336 0.000 1.008 244 F HN 0.254 nan 8.300 nan 0.000 0.480 245 A N 1.258 124.128 122.820 0.084 0.000 1.873 245 A HA -0.269 4.049 4.320 -0.003 0.000 0.218 245 A C 2.343 179.875 177.584 -0.086 0.000 1.193 245 A CA 2.261 54.262 52.037 -0.060 0.000 0.629 245 A CB -0.860 18.151 19.000 0.018 0.000 0.826 245 A HN 0.522 nan 8.150 nan 0.000 0.447 246 R N -1.021 119.460 120.500 -0.032 0.000 2.091 246 R HA -0.105 4.233 4.340 -0.003 0.000 0.238 246 R C 2.226 178.492 176.300 -0.058 0.000 1.136 246 R CA 1.279 57.358 56.100 -0.036 0.000 0.959 246 R CB -0.419 29.874 30.300 -0.011 0.000 0.856 246 R HN 0.361 nan 8.270 nan 0.000 0.437 247 R N 1.105 121.567 120.500 -0.063 0.000 2.096 247 R HA -0.037 4.301 4.340 -0.003 0.000 0.235 247 R C 2.346 178.558 176.300 -0.147 0.000 1.127 247 R CA 1.042 57.097 56.100 -0.076 0.000 0.968 247 R CB -0.653 29.630 30.300 -0.027 0.000 0.861 247 R HN 0.314 nan 8.270 nan 0.000 0.440 248 L N 0.691 121.761 121.223 -0.256 0.000 2.056 248 L HA -0.118 4.220 4.340 -0.003 0.000 0.207 248 L C 2.721 179.501 176.870 -0.151 0.000 1.078 248 L CA 1.306 55.985 54.840 -0.268 0.000 0.749 248 L CB -0.448 41.375 42.059 -0.393 0.000 0.901 248 L HN 0.139 nan 8.230 nan 0.000 0.433 249 K N 0.539 120.866 120.400 -0.121 0.000 2.063 249 K HA -0.226 4.093 4.320 -0.003 0.000 0.208 249 K C 1.928 178.492 176.600 -0.059 0.000 1.048 249 K CA 1.688 57.930 56.287 -0.076 0.000 0.928 249 K CB 0.018 32.483 32.500 -0.060 0.000 0.713 249 K HN 0.333 nan 8.250 nan 0.000 0.442 250 E N 0.550 120.716 120.200 -0.057 0.000 2.077 250 E HA -0.182 4.166 4.350 -0.003 0.000 0.193 250 E C 1.968 178.543 176.600 -0.040 0.000 0.989 250 E CA 1.176 57.552 56.400 -0.040 0.000 0.800 250 E CB -0.068 29.612 29.700 -0.033 0.000 0.746 250 E HN 0.321 nan 8.360 nan 0.000 0.452 251 L N -0.501 120.688 121.223 -0.056 0.000 2.362 251 L HA -0.022 4.317 4.340 -0.003 0.000 0.219 251 L C 1.445 178.290 176.870 -0.042 0.000 1.134 251 L CA 0.709 55.518 54.840 -0.051 0.000 0.807 251 L CB -0.269 41.748 42.059 -0.071 0.000 0.927 251 L HN 0.396 nan 8.230 nan 0.000 0.447 252 G N -0.273 108.501 108.800 -0.043 0.000 2.131 252 G HA2 -0.225 3.734 3.960 -0.003 0.000 0.223 252 G HA3 -0.225 3.734 3.960 -0.003 0.000 0.223 252 G C 0.187 175.072 174.900 -0.026 0.000 0.990 252 G CA -0.073 45.010 45.100 -0.029 0.000 0.671 252 G HN 0.062 nan 8.290 nan 0.000 0.521 253 V N 1.079 120.966 119.914 -0.045 0.000 2.673 253 V HA 0.108 4.227 4.120 -0.003 0.000 0.303 253 V C 1.431 177.519 176.094 -0.010 0.000 1.046 253 V CA 0.940 63.222 62.300 -0.030 0.000 1.126 253 V CB 1.064 32.843 31.823 -0.074 0.000 0.934 253 V HN 0.379 nan 8.190 nan 0.000 0.487 254 D N 2.700 123.126 120.400 0.043 0.000 2.271 254 D HA 0.155 4.794 4.640 -0.003 0.000 0.206 254 D C 0.262 176.546 176.300 -0.028 0.000 0.967 254 D CA 0.887 54.914 54.000 0.046 0.000 0.867 254 D CB 0.895 41.779 40.800 0.139 0.000 0.960 254 D HN 0.368 nan 8.370 nan 0.000 0.509 255 L N 0.651 121.823 121.223 -0.085 0.000 2.705 255 L HA 0.262 4.601 4.340 -0.003 0.000 0.260 255 L C -2.079 174.628 176.870 -0.271 0.000 0.921 255 L CA -0.671 54.000 54.840 -0.280 0.000 0.948 255 L CB 2.058 43.733 42.059 -0.640 0.000 1.427 255 L HN -0.251 nan 8.230 nan 0.000 0.432 256 L N 4.152 125.255 121.223 -0.200 0.000 2.265 256 L HA 0.504 4.843 4.340 -0.003 0.000 0.288 256 L C -0.685 176.097 176.870 -0.146 0.000 1.058 256 L CA 0.263 55.025 54.840 -0.130 0.000 0.809 256 L CB 1.098 43.119 42.059 -0.064 0.000 1.179 256 L HN 0.587 nan 8.230 nan 0.000 0.429 257 D N 4.420 124.753 120.400 -0.112 0.000 2.373 257 D HA 0.220 4.858 4.640 -0.003 0.000 0.227 257 D C -1.193 175.098 176.300 -0.016 0.000 1.091 257 D CA -0.248 53.701 54.000 -0.085 0.000 0.840 257 D CB 0.665 41.436 40.800 -0.048 0.000 1.060 257 D HN 0.533 nan 8.370 nan 0.000 0.502 258 C N 3.904 123.210 119.300 0.010 0.000 2.203 258 C HA 0.565 5.023 4.460 -0.003 0.000 0.325 258 C C 0.878 175.922 174.990 0.091 0.000 1.156 258 C CA -0.590 58.464 59.018 0.060 0.000 1.597 258 C CB -0.706 27.095 27.740 0.101 0.000 2.148 258 C HN 0.608 nan 8.230 nan 0.000 0.472 259 S N 2.045 117.800 115.700 0.091 0.000 2.618 259 S HA 0.899 5.368 4.470 -0.003 0.000 0.284 259 S C -0.001 174.694 174.600 0.159 0.000 1.102 259 S CA 0.054 58.356 58.200 0.171 0.000 0.984 259 S CB 1.336 64.715 63.200 0.299 0.000 1.280 259 S HN 1.063 nan 8.310 nan 0.000 0.525 260 S N -1.309 114.557 115.700 0.277 0.000 2.615 260 S HA 0.658 5.126 4.470 -0.003 0.000 0.268 260 S C 0.020 174.845 174.600 0.374 0.000 1.146 260 S CA -0.012 58.310 58.200 0.202 0.000 0.818 260 S CB 0.328 63.634 63.200 0.176 0.000 1.111 260 S HN 2.282 nan 8.310 nan 0.000 0.465 261 G N 0.209 109.192 108.800 0.305 0.000 2.750 261 G HA2 0.337 4.295 3.960 -0.003 0.000 0.228 261 G HA3 0.337 4.295 3.960 -0.003 0.000 0.228 261 G C 1.106 176.153 174.900 0.245 0.000 1.367 261 G CA 1.137 46.477 45.100 0.400 0.000 0.871 261 G HN 2.745 nan 8.290 nan 0.000 0.560 262 G N -3.422 105.490 108.800 0.187 0.000 2.213 262 G HA2 -0.108 3.850 3.960 -0.003 0.000 0.236 262 G HA3 -0.108 3.850 3.960 -0.003 0.000 0.236 262 G C 1.428 176.371 174.900 0.071 0.000 0.991 262 G CA 1.368 46.521 45.100 0.088 0.000 0.629 262 G HN 1.877 nan 8.290 nan 0.000 0.517 263 V N 0.457 120.431 119.914 0.100 0.000 2.346 263 V HA 0.256 4.374 4.120 -0.003 0.000 0.244 263 V C 1.808 178.019 176.094 0.195 0.000 1.037 263 V CA 2.141 64.489 62.300 0.079 0.000 1.029 263 V CB 0.078 31.920 31.823 0.031 0.000 0.663 263 V HN 1.331 nan 8.190 nan 0.000 0.454 264 V N -3.136 116.859 119.914 0.136 0.000 3.155 264 V HA 0.503 4.622 4.120 -0.003 0.000 0.313 264 V C 0.637 176.715 176.094 -0.026 0.000 1.162 264 V CA -0.554 61.742 62.300 -0.008 0.000 1.048 264 V CB 2.130 33.905 31.823 -0.080 0.000 1.092 264 V HN 0.106 nan 8.190 nan 0.000 0.447 265 L N -0.110 120.978 121.223 -0.225 0.000 2.145 265 L HA 0.275 4.613 4.340 -0.003 0.000 0.201 265 L C 1.620 178.455 176.870 -0.059 0.000 1.075 265 L CA 0.561 55.331 54.840 -0.117 0.000 0.773 265 L CB -0.187 41.753 42.059 -0.198 0.000 0.936 265 L HN 0.665 nan 8.230 nan 0.000 0.451 266 R N 1.927 122.380 120.500 -0.077 0.000 4.138 266 R HA 0.242 4.580 4.340 -0.003 0.000 0.206 266 R C -0.723 175.571 176.300 -0.010 0.000 1.667 266 R CA 0.047 56.120 56.100 -0.044 0.000 1.481 266 R CB -0.582 29.686 30.300 -0.054 0.000 1.388 266 R HN 0.133 nan 8.270 nan 0.000 0.776 267 V N -2.085 117.833 119.914 0.007 0.000 3.078 267 V HA 0.564 4.683 4.120 -0.003 0.000 0.311 267 V C -0.196 175.888 176.094 -0.016 0.000 1.138 267 V CA -1.518 60.804 62.300 0.037 0.000 1.007 267 V CB 2.688 34.586 31.823 0.126 0.000 1.045 267 V HN 0.290 nan 8.190 nan 0.000 0.432 268 R N 2.609 123.091 120.500 -0.029 0.000 2.234 268 R HA 0.590 4.928 4.340 -0.003 0.000 0.324 268 R C -0.888 175.225 176.300 -0.311 0.000 1.054 268 R CA -0.282 55.744 56.100 -0.123 0.000 0.912 268 R CB 1.078 31.329 30.300 -0.082 0.000 1.030 268 R HN 0.750 nan 8.270 nan 0.000 0.455 269 I N 5.430 125.746 120.570 -0.424 0.000 2.328 269 I HA 0.197 4.365 4.170 -0.003 0.000 0.287 269 I C -1.742 173.971 176.117 -0.673 0.000 1.012 269 I CA -2.219 58.612 61.300 -0.782 0.000 1.195 269 I CB 1.862 39.511 38.000 -0.586 0.000 1.350 269 I HN 0.232 nan 8.210 nan 0.000 0.464 270 P HA 0.241 nan 4.420 nan 0.000 0.231 270 P C -0.307 176.691 177.300 -0.503 0.000 1.811 270 P CA -0.212 62.622 63.100 -0.443 0.000 1.051 270 P CB -0.135 31.404 31.700 -0.267 0.000 1.951 271 L N 1.493 122.319 121.223 -0.660 0.000 2.490 271 L HA 0.455 4.794 4.340 -0.003 0.000 0.274 271 L C 0.791 177.384 176.870 -0.461 0.000 1.201 271 L CA 0.206 54.474 54.840 -0.954 0.000 0.869 271 L CB 0.158 41.831 42.059 -0.643 0.000 1.123 271 L HN 0.319 nan 8.230 nan 0.000 0.484 272 A N 4.345 126.991 122.820 -0.290 0.000 2.590 272 A HA 0.576 4.895 4.320 -0.003 0.000 0.294 272 A C -2.803 174.884 177.584 0.171 0.000 1.046 272 A CA -1.221 50.807 52.037 -0.014 0.000 0.684 272 A CB 0.993 20.000 19.000 0.011 0.000 1.279 272 A HN 0.411 nan 8.150 nan 0.000 0.415 273 P HA 0.173 nan 4.420 nan 0.000 0.252 273 P C 1.068 178.456 177.300 0.147 0.000 1.147 273 P CA 2.740 65.916 63.100 0.126 0.000 0.779 273 P CB 0.051 31.795 31.700 0.073 0.000 0.733 274 G N 3.712 112.607 108.800 0.158 0.000 2.179 274 G HA2 -0.334 3.625 3.960 -0.003 0.000 0.257 274 G HA3 -0.334 3.625 3.960 -0.003 0.000 0.257 274 G C 0.589 175.534 174.900 0.075 0.000 1.010 274 G CA 0.335 45.481 45.100 0.078 0.000 0.736 274 G HN 0.609 nan 8.290 nan 0.000 0.513 275 F N -0.821 119.143 119.950 0.024 0.000 2.373 275 F HA 0.070 4.595 4.527 -0.003 0.000 0.300 275 F C 1.955 177.754 175.800 -0.001 0.000 1.080 275 F CA 1.647 59.666 58.000 0.033 0.000 1.417 275 F CB -0.069 38.983 39.000 0.086 0.000 1.070 275 F HN 0.372 nan 8.300 nan 0.000 0.546 276 Q N 0.274 119.686 119.800 -0.646 0.000 2.282 276 Q HA 0.114 4.452 4.340 -0.003 0.000 0.206 276 Q C 2.101 177.890 176.000 -0.351 0.000 0.878 276 Q CA 0.082 55.596 55.803 -0.481 0.000 0.944 276 Q CB 0.581 29.122 28.738 -0.329 0.000 1.100 276 Q HN 0.406 nan 8.270 nan 0.000 0.509 277 V N 2.304 122.055 119.914 -0.273 0.000 2.407 277 V HA -0.185 3.933 4.120 -0.003 0.000 0.248 277 V C -0.791 175.176 176.094 -0.212 0.000 1.055 277 V CA 1.866 64.065 62.300 -0.169 0.000 1.049 277 V CB -1.313 30.456 31.823 -0.090 0.000 0.662 277 V HN 0.306 nan 8.190 nan 0.000 0.455 278 P HA -0.178 nan 4.420 nan 0.000 0.217 278 P C 1.476 178.641 177.300 -0.225 0.000 1.148 278 P CA 1.745 64.650 63.100 -0.325 0.000 0.828 278 P CB -0.171 31.250 31.700 -0.464 0.000 0.783 279 F N 0.575 120.515 119.950 -0.017 0.000 2.163 279 F HA 0.067 4.592 4.527 -0.003 0.000 0.297 279 F C 2.707 178.495 175.800 -0.020 0.000 1.094 279 F CA 0.545 58.531 58.000 -0.023 0.000 1.290 279 F CB -1.977 37.001 39.000 -0.038 0.000 1.017 279 F HN -0.072 nan 8.300 nan 0.000 0.483 280 A N -0.073 122.809 122.820 0.103 0.000 1.902 280 A HA -0.236 4.082 4.320 -0.003 0.000 0.217 280 A C 2.230 179.824 177.584 0.016 0.000 1.181 280 A CA 2.011 54.072 52.037 0.040 0.000 0.623 280 A CB -1.056 17.943 19.000 -0.001 0.000 0.818 280 A HN 0.428 nan 8.150 nan 0.000 0.443 281 D N 0.009 120.407 120.400 -0.003 0.000 2.097 281 D HA -0.102 4.536 4.640 -0.003 0.000 0.195 281 D C 2.146 178.450 176.300 0.008 0.000 0.989 281 D CA 1.494 55.489 54.000 -0.009 0.000 0.827 281 D CB -0.120 40.665 40.800 -0.026 0.000 0.966 281 D HN 0.317 nan 8.370 nan 0.000 0.456 282 A N 0.820 123.656 122.820 0.027 0.000 1.858 282 A HA -0.130 4.188 4.320 -0.003 0.000 0.216 282 A C 2.693 180.298 177.584 0.035 0.000 1.190 282 A CA 1.810 53.869 52.037 0.038 0.000 0.617 282 A CB -1.044 17.997 19.000 0.068 0.000 0.827 282 A HN 0.229 nan 8.150 nan 0.000 0.443 283 V N 0.120 120.063 119.914 0.049 0.000 2.282 283 V HA -0.320 3.798 4.120 -0.003 0.000 0.249 283 V C 2.703 178.802 176.094 0.009 0.000 1.057 283 V CA 2.553 64.873 62.300 0.033 0.000 1.032 283 V CB -0.832 31.015 31.823 0.041 0.000 0.645 283 V HN 0.664 nan 8.190 nan 0.000 0.447 284 R N 0.001 120.502 120.500 0.002 0.000 2.073 284 R HA -0.176 4.163 4.340 -0.003 0.000 0.234 284 R C 2.359 178.654 176.300 -0.008 0.000 1.134 284 R CA 1.797 57.890 56.100 -0.011 0.000 0.952 284 R CB -0.128 30.162 30.300 -0.017 0.000 0.850 284 R HN 0.486 nan 8.270 nan 0.000 0.433 285 K N -0.585 119.814 120.400 -0.003 0.000 2.243 285 K HA 0.005 4.323 4.320 -0.003 0.000 0.201 285 K C 1.984 178.583 176.600 -0.001 0.000 1.051 285 K CA 0.782 57.067 56.287 -0.003 0.000 0.970 285 K CB 0.238 32.737 32.500 -0.001 0.000 0.755 285 K HN 0.195 nan 8.250 nan 0.000 0.465 286 R N -0.131 120.370 120.500 0.002 0.000 2.254 286 R HA 0.111 4.449 4.340 -0.003 0.000 0.193 286 R C 1.684 177.983 176.300 -0.002 0.000 0.929 286 R CA 0.473 56.574 56.100 0.001 0.000 1.038 286 R CB 0.374 30.677 30.300 0.005 0.000 1.009 286 R HN -0.020 nan 8.270 nan 0.000 0.512 287 V N -0.331 119.582 119.914 -0.003 0.000 3.379 287 V HA 0.217 4.336 4.120 -0.003 0.000 0.249 287 V C 1.291 177.377 176.094 -0.014 0.000 1.184 287 V CA 0.904 63.200 62.300 -0.008 0.000 1.106 287 V CB 0.528 32.347 31.823 -0.007 0.000 0.826 287 V HN 0.545 nan 8.190 nan 0.000 0.465 288 G N 1.149 109.940 108.800 -0.014 0.000 2.153 288 G HA2 -0.253 3.705 3.960 -0.003 0.000 0.252 288 G HA3 -0.253 3.705 3.960 -0.003 0.000 0.252 288 G C -0.124 174.761 174.900 -0.025 0.000 0.994 288 G CA 0.497 45.586 45.100 -0.018 0.000 0.698 288 G HN 0.416 nan 8.290 nan 0.000 0.521 289 L N 1.094 122.299 121.223 -0.031 0.000 2.290 289 L HA 0.673 5.011 4.340 -0.003 0.000 0.284 289 L C 1.024 177.862 176.870 -0.053 0.000 1.078 289 L CA -0.924 53.889 54.840 -0.045 0.000 0.815 289 L CB 0.500 42.527 42.059 -0.054 0.000 1.162 289 L HN 0.266 nan 8.230 nan 0.000 0.435 290 R N 2.343 122.805 120.500 -0.064 0.000 2.638 290 R HA 0.279 4.617 4.340 -0.003 0.000 0.268 290 R C -0.145 176.084 176.300 -0.119 0.000 1.006 290 R CA 0.839 56.889 56.100 -0.084 0.000 1.088 290 R CB 0.087 30.333 30.300 -0.090 0.000 0.950 290 R HN 0.816 nan 8.270 nan 0.000 0.419 291 T N -1.387 113.099 114.554 -0.114 0.000 2.907 291 T HA 0.614 4.962 4.350 -0.003 0.000 0.292 291 T C 0.045 174.656 174.700 -0.149 0.000 1.043 291 T CA -1.017 61.010 62.100 -0.122 0.000 1.003 291 T CB 2.203 71.035 68.868 -0.060 0.000 1.084 291 T HN 0.573 nan 8.240 nan 0.000 0.483 292 G N 0.151 108.852 108.800 -0.164 0.000 2.368 292 G HA2 0.638 4.596 3.960 -0.003 0.000 0.320 292 G HA3 0.638 4.596 3.960 -0.003 0.000 0.320 292 G C -0.285 174.580 174.900 -0.059 0.000 1.158 292 G CA -0.835 44.189 45.100 -0.127 0.000 0.912 292 G HN 1.089 nan 8.290 nan 0.000 0.456 293 A N 1.352 124.149 122.820 -0.038 0.000 2.304 293 A HA 0.821 5.140 4.320 -0.003 0.000 0.301 293 A C -0.430 177.152 177.584 -0.004 0.000 1.132 293 A CA -0.682 51.343 52.037 -0.021 0.000 0.819 293 A CB 1.695 20.680 19.000 -0.025 0.000 1.094 293 A HN 1.603 nan 8.150 nan 0.000 0.492 294 V N 0.503 120.416 119.914 -0.002 0.000 3.077 294 V HA 0.774 4.892 4.120 -0.003 0.000 0.299 294 V C -0.279 175.817 176.094 0.003 0.000 1.276 294 V CA 0.789 63.102 62.300 0.022 0.000 0.993 294 V CB 2.092 33.948 31.823 0.055 0.000 1.076 294 V HN 2.510 nan 8.190 nan 0.000 0.434 295 G N 4.745 113.576 108.800 0.051 0.000 2.949 295 G HA2 0.154 4.112 3.960 -0.003 0.000 0.658 295 G HA3 0.154 4.112 3.960 -0.003 0.000 0.658 295 G C -0.375 174.633 174.900 0.181 0.000 1.194 295 G CA -0.357 44.808 45.100 0.108 0.000 1.204 295 G HN 1.860 nan 8.290 nan 0.000 0.524 296 L N -0.001 121.335 121.223 0.188 0.000 3.678 296 L HA -0.219 4.119 4.340 -0.003 0.000 0.425 296 L C 0.726 177.648 176.870 0.086 0.000 1.240 296 L CA 0.638 55.565 54.840 0.145 0.000 0.876 296 L CB -1.005 41.173 42.059 0.200 0.000 1.766 296 L HN 0.635 nan 8.230 nan 0.000 0.917 297 I N 0.052 120.650 120.570 0.046 0.000 2.325 297 I HA 0.197 4.365 4.170 -0.003 0.000 0.291 297 I C 1.319 177.399 176.117 -0.061 0.000 1.019 297 I CA 0.678 61.984 61.300 0.010 0.000 1.302 297 I CB 1.273 39.279 38.000 0.010 0.000 1.401 297 I HN 0.291 nan 8.210 nan 0.000 0.485 298 T N -0.744 113.776 114.554 -0.056 0.000 3.130 298 T HA 0.181 4.529 4.350 -0.003 0.000 0.288 298 T C 0.438 175.099 174.700 -0.066 0.000 0.936 298 T CA -0.109 61.902 62.100 -0.149 0.000 0.897 298 T CB 0.410 69.236 68.868 -0.069 0.000 1.178 298 T HN 0.430 nan 8.240 nan 0.000 0.543 299 T N 3.042 117.660 114.554 0.107 0.000 2.893 299 T HA 0.523 4.871 4.350 -0.003 0.000 0.293 299 T C -2.338 172.568 174.700 0.344 0.000 1.027 299 T CA -1.415 60.846 62.100 0.268 0.000 0.988 299 T CB 2.362 71.324 68.868 0.156 0.000 1.043 299 T HN -0.249 nan 8.240 nan 0.000 0.461 300 P HA -0.032 nan 4.420 nan 0.000 0.217 300 P C 0.960 178.364 177.300 0.173 0.000 1.150 300 P CA 0.992 64.257 63.100 0.275 0.000 0.832 300 P CB 0.325 32.123 31.700 0.163 0.000 0.787 301 E N -0.393 119.890 120.200 0.137 0.000 2.153 301 E HA -0.201 4.147 4.350 -0.003 0.000 0.194 301 E C 2.173 178.824 176.600 0.085 0.000 0.988 301 E CA 0.960 57.418 56.400 0.097 0.000 0.811 301 E CB -0.660 29.088 29.700 0.079 0.000 0.746 301 E HN 0.412 nan 8.360 nan 0.000 0.466 302 Q N 0.180 120.037 119.800 0.095 0.000 2.096 302 Q HA -0.041 4.297 4.340 -0.003 0.000 0.197 302 Q C 2.088 178.128 176.000 0.067 0.000 0.964 302 Q CA 1.185 57.032 55.803 0.074 0.000 0.838 302 Q CB -0.114 28.669 28.738 0.075 0.000 0.906 302 Q HN 0.270 nan 8.270 nan 0.000 0.444 303 A N 1.047 123.921 122.820 0.090 0.000 1.877 303 A HA -0.237 4.081 4.320 -0.003 0.000 0.216 303 A C 1.919 179.527 177.584 0.040 0.000 1.186 303 A CA 1.761 53.837 52.037 0.065 0.000 0.620 303 A CB -0.813 18.243 19.000 0.093 0.000 0.822 303 A HN 0.532 nan 8.150 nan 0.000 0.443 304 E N -0.230 120.002 120.200 0.054 0.000 2.114 304 E HA -0.175 4.174 4.350 -0.003 0.000 0.199 304 E C 1.968 178.586 176.600 0.030 0.000 1.008 304 E CA 2.306 58.730 56.400 0.039 0.000 0.810 304 E CB -0.641 29.096 29.700 0.062 0.000 0.739 304 E HN 0.521 nan 8.360 nan 0.000 0.456 305 T N 0.452 115.027 114.554 0.035 0.000 2.851 305 T HA -0.068 4.280 4.350 -0.003 0.000 0.262 305 T C 1.757 176.466 174.700 0.016 0.000 1.043 305 T CA 1.197 63.313 62.100 0.027 0.000 1.140 305 T CB -0.320 68.567 68.868 0.032 0.000 0.872 305 T HN 0.351 nan 8.240 nan 0.000 0.446 306 L N 0.154 121.385 121.223 0.014 0.000 2.141 306 L HA 0.148 4.487 4.340 -0.003 0.000 0.209 306 L C 2.086 178.955 176.870 -0.003 0.000 1.094 306 L CA 1.484 56.326 54.840 0.003 0.000 0.763 306 L CB -1.147 40.912 42.059 -0.001 0.000 0.908 306 L HN 0.141 nan 8.230 nan 0.000 0.437 307 L N -0.638 120.584 121.223 -0.002 0.000 2.017 307 L HA -0.141 4.197 4.340 -0.003 0.000 0.208 307 L C 2.928 179.797 176.870 -0.003 0.000 1.073 307 L CA 1.099 55.934 54.840 -0.008 0.000 0.745 307 L CB -0.798 41.253 42.059 -0.013 0.000 0.894 307 L HN 0.377 nan 8.230 nan 0.000 0.432 308 Q N -0.198 119.605 119.800 0.005 0.000 2.234 308 Q HA -0.163 4.176 4.340 -0.003 0.000 0.206 308 Q C 2.110 178.112 176.000 0.004 0.000 0.980 308 Q CA 1.630 57.437 55.803 0.008 0.000 0.869 308 Q CB -0.219 28.527 28.738 0.014 0.000 0.912 308 Q HN 0.544 nan 8.270 nan 0.000 0.436 309 A N -0.655 122.166 122.820 0.002 0.000 2.275 309 A HA 0.344 4.663 4.320 -0.003 0.000 0.212 309 A C 1.450 179.032 177.584 -0.004 0.000 1.201 309 A CA 0.827 52.864 52.037 0.000 0.000 0.843 309 A CB -0.041 18.959 19.000 0.000 0.000 0.873 309 A HN 0.385 nan 8.150 nan 0.000 0.492 310 G N -0.677 108.120 108.800 -0.006 0.000 2.153 310 G HA2 -0.282 3.676 3.960 -0.003 0.000 0.252 310 G HA3 -0.282 3.676 3.960 -0.003 0.000 0.252 310 G C 0.911 175.803 174.900 -0.013 0.000 0.994 310 G CA 0.759 45.853 45.100 -0.009 0.000 0.698 310 G HN 0.534 nan 8.290 nan 0.000 0.521 311 S N -0.567 115.124 115.700 -0.015 0.000 2.481 311 S HA 0.528 4.996 4.470 -0.003 0.000 0.231 311 S C 1.163 175.748 174.600 -0.024 0.000 0.996 311 S CA 1.613 59.801 58.200 -0.020 0.000 0.942 311 S CB 0.137 63.323 63.200 -0.024 0.000 0.768 311 S HN 1.919 nan 8.310 nan 0.000 0.520 312 A N 0.096 122.900 122.820 -0.026 0.000 2.564 312 A HA 0.539 4.857 4.320 -0.003 0.000 0.291 312 A C -0.768 176.792 177.584 -0.039 0.000 1.102 312 A CA -0.578 51.438 52.037 -0.036 0.000 0.660 312 A CB 0.175 19.151 19.000 -0.039 0.000 1.283 312 A HN 0.048 nan 8.150 nan 0.000 0.430 313 D N -0.945 119.423 120.400 -0.053 0.000 2.380 313 D HA 0.195 4.833 4.640 -0.003 0.000 0.212 313 D C -0.310 175.960 176.300 -0.050 0.000 1.021 313 D CA 0.849 54.819 54.000 -0.050 0.000 0.884 313 D CB 0.776 41.539 40.800 -0.061 0.000 1.001 313 D HN 0.265 nan 8.370 nan 0.000 0.506 314 L N 1.031 122.217 121.223 -0.061 0.000 2.422 314 L HA 0.369 4.707 4.340 -0.003 0.000 0.264 314 L C -1.416 175.433 176.870 -0.035 0.000 0.984 314 L CA -0.744 54.068 54.840 -0.047 0.000 0.819 314 L CB 2.512 44.536 42.059 -0.059 0.000 1.330 314 L HN -0.364 nan 8.230 nan 0.000 0.410 315 V N 5.749 125.652 119.914 -0.018 0.000 2.370 315 V HA 0.491 4.609 4.120 -0.003 0.000 0.283 315 V C -0.301 175.807 176.094 0.023 0.000 1.023 315 V CA -0.418 61.881 62.300 -0.001 0.000 0.857 315 V CB 1.467 33.290 31.823 0.001 0.000 0.985 315 V HN 0.589 nan 8.190 nan 0.000 0.443 316 L N 6.291 127.533 121.223 0.030 0.000 2.317 316 L HA 0.623 4.962 4.340 -0.003 0.000 0.281 316 L C -0.526 176.375 176.870 0.051 0.000 1.024 316 L CA -0.116 54.757 54.840 0.055 0.000 0.810 316 L CB 1.499 43.597 42.059 0.064 0.000 1.240 316 L HN 0.414 nan 8.230 nan 0.000 0.427 317 L N 2.028 123.287 121.223 0.060 0.000 2.362 317 L HA 0.682 5.021 4.340 -0.003 0.000 0.275 317 L C 0.577 177.486 176.870 0.065 0.000 0.998 317 L CA -0.313 54.546 54.840 0.031 0.000 0.820 317 L CB 1.795 43.849 42.059 -0.007 0.000 1.270 317 L HN 0.761 nan 8.230 nan 0.000 0.415 318 G N 1.266 110.105 108.800 0.065 0.000 2.508 318 G HA2 0.110 4.068 3.960 -0.003 0.000 0.217 318 G HA3 0.110 4.068 3.960 -0.003 0.000 0.217 318 G C 1.134 176.081 174.900 0.078 0.000 2.004 318 G CA -0.189 44.971 45.100 0.100 0.000 0.750 318 G HN 0.550 nan 8.290 nan 0.000 0.730 319 R N -0.198 120.347 120.500 0.074 0.000 2.133 319 R HA -0.091 4.247 4.340 -0.003 0.000 0.247 319 R C 2.474 178.792 176.300 0.029 0.000 1.151 319 R CA 1.373 57.512 56.100 0.065 0.000 0.971 319 R CB -0.702 29.638 30.300 0.066 0.000 0.866 319 R HN 0.221 nan 8.270 nan 0.000 0.447 320 V N 1.148 121.044 119.914 -0.031 0.000 2.594 320 V HA -0.175 3.943 4.120 -0.003 0.000 0.253 320 V C 1.764 177.839 176.094 -0.031 0.000 1.069 320 V CA 1.634 63.877 62.300 -0.095 0.000 1.082 320 V CB -0.147 31.487 31.823 -0.314 0.000 0.680 320 V HN 0.312 nan 8.190 nan 0.000 0.469 321 L N -0.925 120.304 121.223 0.011 0.000 2.313 321 L HA -0.027 4.312 4.340 -0.003 0.000 0.214 321 L C 2.262 179.186 176.870 0.090 0.000 1.119 321 L CA 0.835 55.721 54.840 0.077 0.000 0.809 321 L CB -0.337 41.776 42.059 0.091 0.000 0.933 321 L HN 0.325 nan 8.230 nan 0.000 0.449 322 L N 0.066 121.349 121.223 0.100 0.000 2.156 322 L HA -0.129 4.210 4.340 -0.003 0.000 0.208 322 L C 2.589 179.515 176.870 0.093 0.000 1.095 322 L CA 1.170 56.086 54.840 0.128 0.000 0.770 322 L CB -0.369 41.775 42.059 0.142 0.000 0.914 322 L HN 0.401 nan 8.230 nan 0.000 0.439 323 R N -1.314 119.227 120.500 0.069 0.000 2.308 323 R HA 0.115 4.453 4.340 -0.003 0.000 0.202 323 R C -0.162 176.170 176.300 0.054 0.000 0.898 323 R CA 0.213 56.344 56.100 0.052 0.000 1.046 323 R CB 0.155 30.480 30.300 0.041 0.000 1.026 323 R HN 0.012 nan 8.270 nan 0.000 0.512 324 D N 0.828 121.278 120.400 0.083 0.000 2.668 324 D HA 0.166 4.804 4.640 -0.003 0.000 0.247 324 D C -2.119 174.304 176.300 0.207 0.000 1.268 324 D CA -2.042 52.035 54.000 0.129 0.000 0.842 324 D CB 1.547 42.449 40.800 0.170 0.000 1.399 324 D HN -0.123 nan 8.370 nan 0.000 0.530 325 P HA -0.055 nan 4.420 nan 0.000 0.226 325 P C 0.576 178.157 177.300 0.468 0.000 1.153 325 P CA 0.483 63.737 63.100 0.257 0.000 0.777 325 P CB 0.141 31.955 31.700 0.190 0.000 0.794 326 Y N -2.178 118.218 120.300 0.160 0.000 2.524 326 Y HA 0.206 4.755 4.550 -0.003 0.000 0.266 326 Y C 1.858 177.880 175.900 0.204 0.000 1.180 326 Y CA -1.767 56.438 58.100 0.175 0.000 1.244 326 Y CB -1.305 37.249 38.460 0.158 0.000 1.125 326 Y HN -0.154 nan 8.280 nan 0.000 0.524 327 F N 2.490 122.588 119.950 0.245 0.000 2.111 327 F HA -0.211 4.314 4.527 -0.003 0.000 0.300 327 F C -1.023 174.899 175.800 0.203 0.000 1.088 327 F CA 1.727 59.840 58.000 0.189 0.000 1.243 327 F CB -1.107 37.982 39.000 0.147 0.000 0.996 327 F HN -0.008 nan 8.300 nan 0.000 0.483 328 P HA -0.097 nan 4.420 nan 0.000 0.220 328 P C 1.968 179.303 177.300 0.059 0.000 1.152 328 P CA 1.485 64.657 63.100 0.122 0.000 0.812 328 P CB -0.100 31.756 31.700 0.261 0.000 0.792 329 L N -0.912 120.332 121.223 0.035 0.000 2.046 329 L HA -0.129 4.210 4.340 -0.003 0.000 0.208 329 L C 2.522 179.413 176.870 0.035 0.000 1.077 329 L CA 1.560 56.383 54.840 -0.029 0.000 0.747 329 L CB -0.651 41.408 42.059 0.001 0.000 0.896 329 L HN -0.073 nan 8.230 nan 0.000 0.432 330 R N -0.093 120.454 120.500 0.078 0.000 2.153 330 R HA 0.022 4.360 4.340 -0.003 0.000 0.218 330 R C 2.434 178.647 176.300 -0.145 0.000 1.072 330 R CA 0.924 57.040 56.100 0.027 0.000 0.990 330 R CB -0.314 30.006 30.300 0.033 0.000 0.889 330 R HN 0.304 nan 8.270 nan 0.000 0.452 331 A N 1.632 124.251 122.820 -0.336 0.000 1.933 331 A HA -0.118 4.200 4.320 -0.003 0.000 0.218 331 A C 2.380 179.894 177.584 -0.118 0.000 1.175 331 A CA 1.685 53.535 52.037 -0.310 0.000 0.628 331 A CB -0.497 18.199 19.000 -0.507 0.000 0.814 331 A HN 0.363 nan 8.150 nan 0.000 0.444 332 A N -0.295 122.322 122.820 -0.339 0.000 1.877 332 A HA -0.180 4.138 4.320 -0.003 0.000 0.216 332 A C 2.128 179.516 177.584 -0.327 0.000 1.186 332 A CA 2.012 53.589 52.037 -0.766 0.000 0.620 332 A CB -0.492 17.766 19.000 -1.236 0.000 0.822 332 A HN 0.517 nan 8.150 nan 0.000 0.443 333 K N -0.491 119.788 120.400 -0.201 0.000 2.103 333 K HA -0.112 4.207 4.320 -0.003 0.000 0.207 333 K C 2.010 178.575 176.600 -0.058 0.000 1.048 333 K CA 1.215 57.447 56.287 -0.091 0.000 0.930 333 K CB -0.281 32.214 32.500 -0.008 0.000 0.716 333 K HN 0.421 nan 8.250 nan 0.000 0.444 334 A N 0.263 123.053 122.820 -0.051 0.000 2.119 334 A HA -0.021 4.297 4.320 -0.003 0.000 0.217 334 A C 1.612 179.201 177.584 0.009 0.000 1.153 334 A CA 0.894 52.923 52.037 -0.013 0.000 0.692 334 A CB -0.174 18.823 19.000 -0.007 0.000 0.799 334 A HN 0.275 nan 8.150 nan 0.000 0.458 335 L N -1.327 119.901 121.223 0.009 0.000 2.628 335 L HA 0.274 4.612 4.340 -0.003 0.000 0.229 335 L C 1.461 178.339 176.870 0.014 0.000 1.137 335 L CA 0.439 55.305 54.840 0.044 0.000 0.909 335 L CB 0.048 42.182 42.059 0.126 0.000 1.137 335 L HN 0.503 nan 8.230 nan 0.000 0.470 336 G N 0.425 109.213 108.800 -0.020 0.000 2.143 336 G HA2 -0.237 3.722 3.960 -0.003 0.000 0.248 336 G HA3 -0.237 3.722 3.960 -0.003 0.000 0.248 336 G C 0.059 174.931 174.900 -0.047 0.000 0.991 336 G CA 0.063 45.149 45.100 -0.024 0.000 0.689 336 G HN 0.128 nan 8.290 nan 0.000 0.522 337 V N 0.780 120.633 119.914 -0.101 0.000 2.472 337 V HA 0.746 4.864 4.120 -0.003 0.000 0.290 337 V C 0.899 176.880 176.094 -0.189 0.000 1.037 337 V CA -0.309 61.900 62.300 -0.150 0.000 0.908 337 V CB 1.651 33.328 31.823 -0.244 0.000 0.985 337 V HN 1.094 nan 8.190 nan 0.000 0.454 338 A N 7.649 130.384 122.820 -0.141 0.000 2.451 338 A HA 0.612 4.930 4.320 -0.003 0.000 0.266 338 A C -2.079 175.384 177.584 -0.202 0.000 1.119 338 A CA -0.997 50.959 52.037 -0.135 0.000 0.786 338 A CB -0.286 18.662 19.000 -0.087 0.000 1.061 338 A HN 0.669 nan 8.150 nan 0.000 0.503 339 P HA 0.261 nan 4.420 nan 0.000 0.279 339 P C -0.798 176.333 177.300 -0.281 0.000 1.239 339 P CA -0.348 62.561 63.100 -0.318 0.000 0.789 339 P CB 0.630 32.101 31.700 -0.381 0.000 0.933 340 E N 1.513 121.571 120.200 -0.237 0.000 2.166 340 E HA 0.338 4.686 4.350 -0.003 0.000 0.279 340 E C 0.226 176.665 176.600 -0.267 0.000 1.095 340 E CA -0.863 55.416 56.400 -0.200 0.000 0.888 340 E CB 0.416 30.038 29.700 -0.130 0.000 1.041 340 E HN 0.312 nan 8.360 nan 0.000 0.414 341 V N 0.146 119.879 119.914 -0.301 0.000 3.001 341 V HA 0.593 4.711 4.120 -0.003 0.000 0.314 341 V C -2.678 173.285 176.094 -0.218 0.000 1.099 341 V CA -3.090 59.000 62.300 -0.350 0.000 0.989 341 V CB 1.438 32.858 31.823 -0.672 0.000 1.040 341 V HN 0.384 nan 8.190 nan 0.000 0.434 342 P HA 0.269 nan 4.420 nan 0.000 0.266 342 P C -2.297 174.901 177.300 -0.169 0.000 1.195 342 P CA -0.930 62.021 63.100 -0.249 0.000 0.768 342 P CB 0.041 31.452 31.700 -0.483 0.000 0.838 343 P HA -0.230 nan 4.420 nan 0.000 0.216 343 P C 1.354 178.638 177.300 -0.027 0.000 1.153 343 P CA 1.567 64.628 63.100 -0.065 0.000 0.858 343 P CB -0.096 31.565 31.700 -0.064 0.000 0.789 344 Q N -2.205 117.541 119.800 -0.091 0.000 2.217 344 Q HA -0.202 4.137 4.340 -0.003 0.000 0.209 344 Q C 1.164 177.311 176.000 0.246 0.000 0.988 344 Q CA 1.514 57.308 55.803 -0.015 0.000 0.878 344 Q CB -0.709 27.910 28.738 -0.198 0.000 0.909 344 Q HN 0.425 nan 8.270 nan 0.000 0.424 345 Y N -1.283 119.070 120.300 0.088 0.000 2.481 345 Y HA 0.206 4.755 4.550 -0.002 0.000 0.247 345 Y C 1.681 177.731 175.900 0.249 0.000 1.151 345 Y CA -0.355 57.857 58.100 0.187 0.000 1.238 345 Y CB -0.055 38.566 38.460 0.269 0.000 1.179 345 Y HN 0.077 nan 8.280 nan 0.000 0.524 346 Q N 1.365 121.327 119.800 0.268 0.000 2.152 346 Q HA -0.176 4.163 4.340 -0.003 0.000 0.206 346 Q C 1.646 177.787 176.000 0.236 0.000 0.985 346 Q CA 1.803 57.724 55.803 0.198 0.000 0.863 346 Q CB -0.052 28.739 28.738 0.089 0.000 0.904 346 Q HN 0.289 nan 8.270 nan 0.000 0.422 347 R N -1.451 119.161 120.500 0.186 0.000 2.313 347 R HA 0.130 4.468 4.340 -0.003 0.000 0.199 347 R C 1.433 177.783 176.300 0.084 0.000 0.958 347 R CA 0.614 56.784 56.100 0.116 0.000 1.047 347 R CB 0.086 30.434 30.300 0.079 0.000 0.955 347 R HN 0.278 nan 8.270 nan 0.000 0.481 348 G N -0.801 108.076 108.800 0.129 0.000 3.088 348 G HA2 0.100 4.059 3.960 -0.003 0.000 0.217 348 G HA3 0.100 4.059 3.960 -0.003 0.000 0.217 348 G C -0.024 174.659 174.900 -0.360 0.000 1.159 348 G CA -0.039 44.995 45.100 -0.111 0.000 0.760 348 G HN 0.014 nan 8.290 nan 0.000 0.550 349 F N 0.000 119.958 119.950 0.013 0.000 2.286 349 F HA 0.000 4.525 4.527 -0.003 0.000 0.279 349 F CA 0.000 57.999 58.000 -0.002 0.000 1.383 349 F CB 0.000 38.998 39.000 -0.003 0.000 1.145 349 F HN 0.000 nan 8.300 nan 0.000 0.574