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 3fvd_1_B DATA FIRST_RESID 0 DATA SEQUENCE SLRITRLTVF HLDLPLAKPY WLSXXXLKFD RLDSTYLRID TDEGVTGWGE DATA SEQUENCE GCPWGHSYLP AHGPGLRAGI ATLAPHLLGL DPRSLDHVNR VMDLQLPGHS DATA SEQUENCE YVKSPIDMAC WDILGQVAGL PLWQLLGGEA ATPVPINSSI STGTPDQMLG DATA SEQUENCE LIAEAAAQGY RTHSAKIGGS DPAQDIARIE AISAGLPDGH RVTFDVNRAW DATA SEQUENCE TPAIAVEVLN SVRARDWIEQ PCQTLDQCAH VARRVANPIM LDECLHEFSD DATA SEQUENCE HLAAWSRGAC EGVKIKPNRV GGLTRARQIR DFGVSVGWQM HIEDVGGTAL DATA SEQUENCE ADTAALHLAA STPEANRLAS WLGHAHLADD PIPGQGARNR DGLATPPSAP DATA SEQUENCE GLGVIPDPEA LGRPVASYDE 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.583 174.600 -0.028 0.000 1.055 0 S CA 0.000 58.182 58.200 -0.030 0.000 1.107 0 S CB 0.000 63.183 63.200 -0.028 0.000 0.593 1 L N 3.043 124.248 121.223 -0.030 0.000 2.573 1 L HA 0.292 4.629 4.340 -0.004 0.000 0.290 1 L C 0.420 177.274 176.870 -0.027 0.000 1.247 1 L CA 0.713 55.536 54.840 -0.029 0.000 0.876 1 L CB 0.304 42.342 42.059 -0.034 0.000 1.123 1 L HN 0.592 nan 8.230 nan 0.000 0.505 2 R N 3.665 124.150 120.500 -0.024 0.000 2.548 2 R HA 0.425 4.763 4.340 -0.004 0.000 0.280 2 R C -0.926 175.360 176.300 -0.022 0.000 1.061 2 R CA -0.768 55.320 56.100 -0.020 0.000 0.915 2 R CB 1.414 31.703 30.300 -0.019 0.000 1.210 2 R HN 0.517 nan 8.270 nan 0.000 0.442 3 I N 2.820 123.377 120.570 -0.021 0.000 2.648 3 I HA 0.003 4.170 4.170 -0.004 0.000 0.284 3 I C 0.854 176.958 176.117 -0.022 0.000 1.153 3 I CA 0.571 61.856 61.300 -0.025 0.000 1.426 3 I CB 1.508 39.492 38.000 -0.026 0.000 1.381 3 I HN 0.764 nan 8.210 nan 0.000 0.571 4 T N 4.986 119.527 114.554 -0.022 0.000 2.964 4 T HA 0.207 4.555 4.350 -0.004 0.000 0.250 4 T C 0.262 174.955 174.700 -0.012 0.000 0.982 4 T CA 0.024 62.113 62.100 -0.018 0.000 0.959 4 T CB 0.363 69.220 68.868 -0.019 0.000 1.141 4 T HN 0.570 nan 8.240 nan 0.000 0.494 5 R N 0.344 120.835 120.500 -0.015 0.000 2.634 5 R HA 0.527 4.864 4.340 -0.004 0.000 0.263 5 R C -2.342 173.954 176.300 -0.007 0.000 1.060 5 R CA -0.523 55.575 56.100 -0.004 0.000 0.898 5 R CB 1.021 31.310 30.300 -0.019 0.000 1.253 5 R HN 0.098 nan 8.270 nan 0.000 0.461 6 L N 2.409 123.658 121.223 0.044 0.000 2.362 6 L HA 0.582 4.919 4.340 -0.004 0.000 0.275 6 L C -0.707 176.201 176.870 0.064 0.000 0.998 6 L CA -0.711 54.161 54.840 0.054 0.000 0.820 6 L CB 2.503 44.624 42.059 0.103 0.000 1.270 6 L HN 0.628 nan 8.230 nan 0.000 0.415 7 T N 2.037 116.581 114.554 -0.016 0.000 2.841 7 T HA 0.590 4.937 4.350 -0.004 0.000 0.283 7 T C -0.455 174.195 174.700 -0.083 0.000 1.000 7 T CA -0.500 61.539 62.100 -0.102 0.000 0.977 7 T CB 2.301 71.084 68.868 -0.141 0.000 0.979 7 T HN 0.154 nan 8.240 nan 0.000 0.446 8 V N 3.812 123.611 119.914 -0.191 0.000 2.459 8 V HA 0.621 4.738 4.120 -0.004 0.000 0.295 8 V C -1.012 174.948 176.094 -0.223 0.000 1.029 8 V CA -0.784 61.500 62.300 -0.027 0.000 0.874 8 V CB 1.003 32.870 31.823 0.073 0.000 0.985 8 V HN 0.799 nan 8.190 nan 0.000 0.438 9 F N 2.546 122.634 119.950 0.230 0.000 2.532 9 F HA 0.510 5.035 4.527 -0.004 0.000 0.321 9 F C 0.105 176.046 175.800 0.235 0.000 1.089 9 F CA -0.591 57.537 58.000 0.214 0.000 0.926 9 F CB 1.595 40.736 39.000 0.235 0.000 1.168 9 F HN 0.534 nan 8.300 nan 0.000 0.459 10 H N 3.798 123.008 119.070 0.235 0.000 2.587 10 H HA 0.624 5.177 4.556 -0.005 0.000 0.325 10 H C -1.803 173.578 175.328 0.088 0.000 1.012 10 H CA -0.959 55.175 56.048 0.143 0.000 1.213 10 H CB 1.101 30.919 29.762 0.093 0.000 1.431 10 H HN 0.526 nan 8.280 nan 0.000 0.492 11 L N 5.108 126.399 121.223 0.113 0.000 2.322 11 L HA 0.168 4.505 4.340 -0.004 0.000 0.281 11 L C 0.049 176.858 176.870 -0.102 0.000 1.014 11 L CA -0.451 54.320 54.840 -0.116 0.000 0.815 11 L CB 1.678 43.633 42.059 -0.173 0.000 1.247 11 L HN 0.691 nan 8.230 nan 0.000 0.421 12 D N 4.324 124.596 120.400 -0.214 0.000 2.411 12 D HA 0.261 4.898 4.640 -0.004 0.000 0.225 12 D C -0.927 175.311 176.300 -0.104 0.000 1.156 12 D CA -0.199 53.720 54.000 -0.135 0.000 0.874 12 D CB 0.594 41.285 40.800 -0.181 0.000 1.034 12 D HN 0.374 nan 8.370 nan 0.000 0.502 13 L N 6.426 127.600 121.223 -0.081 0.000 2.262 13 L HA 0.353 4.690 4.340 -0.004 0.000 0.288 13 L C -2.035 174.755 176.870 -0.133 0.000 1.035 13 L CA -1.768 53.017 54.840 -0.092 0.000 0.820 13 L CB 1.625 43.649 42.059 -0.059 0.000 1.204 13 L HN 0.160 nan 8.230 nan 0.000 0.424 14 P HA 0.192 nan 4.420 nan 0.000 0.279 14 P C -0.504 176.701 177.300 -0.158 0.000 1.239 14 P CA -0.306 62.701 63.100 -0.155 0.000 0.789 14 P CB 1.095 32.726 31.700 -0.116 0.000 0.933 15 L N 1.944 123.029 121.223 -0.230 0.000 2.418 15 L HA 0.283 4.620 4.340 -0.004 0.000 0.265 15 L C 1.928 178.733 176.870 -0.109 0.000 1.143 15 L CA -0.479 54.251 54.840 -0.183 0.000 0.809 15 L CB 0.427 42.296 42.059 -0.318 0.000 1.124 15 L HN 0.394 nan 8.230 nan 0.000 0.456 16 A N 1.670 124.469 122.820 -0.036 0.000 1.929 16 A HA 0.000 4.318 4.320 -0.004 0.000 0.216 16 A C 0.896 178.457 177.584 -0.038 0.000 1.176 16 A CA 1.226 53.245 52.037 -0.030 0.000 0.628 16 A CB 0.030 19.020 19.000 -0.016 0.000 0.816 16 A HN 0.524 nan 8.150 nan 0.000 0.444 17 K N 0.841 121.229 120.400 -0.020 0.000 2.540 17 K HA 0.366 4.684 4.320 -0.004 0.000 0.218 17 K C -3.002 173.523 176.600 -0.125 0.000 1.017 17 K CA -2.223 54.044 56.287 -0.034 0.000 1.029 17 K CB 0.859 33.398 32.500 0.066 0.000 1.348 17 K HN 0.151 nan 8.250 nan 0.000 0.508 18 P HA -0.028 nan 4.420 nan 0.000 0.266 18 P C -0.806 176.182 177.300 -0.520 0.000 1.193 18 P CA 0.258 63.096 63.100 -0.436 0.000 0.770 18 P CB 0.128 31.596 31.700 -0.387 0.000 0.836 19 Y N -1.164 118.881 120.300 -0.425 0.000 2.536 19 Y HA 0.697 5.244 4.550 -0.004 0.000 0.347 19 Y C -0.737 174.945 175.900 -0.363 0.000 1.000 19 Y CA -1.399 56.377 58.100 -0.540 0.000 1.051 19 Y CB 1.127 39.483 38.460 -0.173 0.000 1.259 19 Y HN 0.320 nan 8.280 nan 0.000 0.468 20 W N 2.763 124.237 121.300 0.290 0.000 2.449 20 W HA 0.683 5.340 4.660 -0.004 0.000 0.331 20 W C -1.095 175.546 176.519 0.203 0.000 1.119 20 W CA -1.011 56.444 57.345 0.183 0.000 1.240 20 W CB 1.639 31.170 29.460 0.118 0.000 1.251 20 W HN 0.462 nan 8.180 nan 0.000 0.576 21 L N 1.736 123.170 121.223 0.353 0.000 2.341 21 L HA 0.358 4.695 4.340 -0.004 0.000 0.267 21 L C 0.629 177.602 176.870 0.171 0.000 1.009 21 L CA -0.435 54.545 54.840 0.234 0.000 0.819 21 L CB 2.198 44.361 42.059 0.174 0.000 1.323 21 L HN 0.444 nan 8.230 nan 0.000 0.425 27 K N 2.800 123.290 120.400 0.149 0.000 2.316 27 K HA 0.435 4.753 4.320 -0.004 0.000 0.267 27 K C -0.948 175.676 176.600 0.039 0.000 1.025 27 K CA -0.176 56.182 56.287 0.118 0.000 0.896 27 K CB 0.873 33.442 32.500 0.115 0.000 1.124 27 K HN 0.353 nan 8.250 nan 0.000 0.451 28 F N 3.883 123.690 119.950 -0.237 0.000 2.434 28 F HA 0.095 4.619 4.527 -0.005 0.000 0.358 28 F C 0.445 175.965 175.800 -0.468 0.000 1.136 28 F CA 0.247 58.012 58.000 -0.392 0.000 1.157 28 F CB 0.634 39.307 39.000 -0.544 0.000 1.167 28 F HN 0.707 nan 8.300 nan 0.000 0.539 29 D N 3.661 123.630 120.400 -0.718 0.000 2.766 29 D HA 0.132 4.770 4.640 -0.004 0.000 0.284 29 D C -0.176 175.778 176.300 -0.577 0.000 1.050 29 D CA 0.567 54.268 54.000 -0.498 0.000 0.945 29 D CB 0.556 41.204 40.800 -0.254 0.000 1.272 29 D HN 0.542 nan 8.370 nan 0.000 0.482 30 R N -0.114 119.990 120.500 -0.659 0.000 2.680 30 R HA 0.493 4.831 4.340 -0.004 0.000 0.269 30 R C -1.203 174.814 176.300 -0.471 0.000 1.026 30 R CA -0.741 55.081 56.100 -0.463 0.000 0.889 30 R CB 1.068 31.226 30.300 -0.236 0.000 1.241 30 R HN -0.082 nan 8.270 nan 0.000 0.463 31 L N 0.942 121.974 121.223 -0.319 0.000 2.334 31 L HA 0.338 4.675 4.340 -0.004 0.000 0.275 31 L C -0.360 176.502 176.870 -0.015 0.000 1.036 31 L CA -0.876 53.851 54.840 -0.190 0.000 0.807 31 L CB 1.572 43.525 42.059 -0.178 0.000 1.231 31 L HN 0.634 nan 8.230 nan 0.000 0.438 32 D N 1.843 122.290 120.400 0.077 0.000 2.412 32 D HA 0.196 4.834 4.640 -0.004 0.000 0.224 32 D C -0.741 175.672 176.300 0.187 0.000 1.093 32 D CA 0.076 54.181 54.000 0.174 0.000 0.850 32 D CB 1.409 42.302 40.800 0.155 0.000 1.046 32 D HN 0.343 nan 8.370 nan 0.000 0.507 33 S N 2.623 118.460 115.700 0.229 0.000 2.501 33 S HA 0.636 5.103 4.470 -0.004 0.000 0.301 33 S C -0.635 174.149 174.600 0.306 0.000 1.096 33 S CA -0.524 57.824 58.200 0.247 0.000 1.063 33 S CB 1.137 64.465 63.200 0.214 0.000 1.042 33 S HN 0.346 nan 8.310 nan 0.000 0.494 34 T N 4.481 119.235 114.554 0.333 0.000 2.779 34 T HA 0.396 4.744 4.350 -0.004 0.000 0.280 34 T C -1.211 173.806 174.700 0.527 0.000 0.987 34 T CA -0.133 62.189 62.100 0.370 0.000 0.966 34 T CB 0.349 69.382 68.868 0.275 0.000 0.933 34 T HN 0.601 nan 8.240 nan 0.000 0.442 35 Y N 2.347 122.851 120.300 0.339 0.000 2.342 35 Y HA 0.589 5.136 4.550 -0.005 0.000 0.334 35 Y C -0.160 176.038 175.900 0.495 0.000 1.067 35 Y CA -1.299 57.045 58.100 0.407 0.000 1.128 35 Y CB 1.396 40.094 38.460 0.396 0.000 1.200 35 Y HN 0.385 nan 8.280 nan 0.000 0.464 36 L N 5.272 126.784 121.223 0.481 0.000 2.341 36 L HA 0.535 4.872 4.340 -0.004 0.000 0.278 36 L C -0.976 175.949 176.870 0.091 0.000 1.005 36 L CA -0.709 54.306 54.840 0.292 0.000 0.818 36 L CB 1.572 43.732 42.059 0.168 0.000 1.259 36 L HN 0.627 nan 8.230 nan 0.000 0.418 37 R N 5.779 126.183 120.500 -0.161 0.000 2.387 37 R HA 0.622 4.959 4.340 -0.004 0.000 0.314 37 R C -1.483 174.604 176.300 -0.354 0.000 0.958 37 R CA -0.580 55.088 56.100 -0.721 0.000 0.846 37 R CB 0.941 30.487 30.300 -1.256 0.000 1.147 37 R HN 0.775 nan 8.270 nan 0.000 0.447 38 I N 4.558 124.938 120.570 -0.318 0.000 2.330 38 I HA 0.230 4.398 4.170 -0.004 0.000 0.289 38 I C -0.327 175.691 176.117 -0.164 0.000 1.001 38 I CA -0.725 60.473 61.300 -0.170 0.000 1.193 38 I CB 1.627 39.569 38.000 -0.097 0.000 1.345 38 I HN 0.488 nan 8.210 nan 0.000 0.461 39 D N 4.603 124.932 120.400 -0.117 0.000 2.229 39 D HA 0.446 5.083 4.640 -0.004 0.000 0.249 39 D C 0.187 176.457 176.300 -0.050 0.000 1.027 39 D CA 0.017 53.970 54.000 -0.079 0.000 0.923 39 D CB 2.351 43.115 40.800 -0.059 0.000 1.174 39 D HN 0.551 nan 8.370 nan 0.000 0.443 40 T N -2.846 111.686 114.554 -0.036 0.000 2.888 40 T HA 0.198 4.545 4.350 -0.004 0.000 0.288 40 T C 0.828 175.516 174.700 -0.020 0.000 1.063 40 T CA -0.758 61.325 62.100 -0.028 0.000 1.010 40 T CB 1.601 70.453 68.868 -0.027 0.000 1.214 40 T HN 0.301 nan 8.240 nan 0.000 0.533 41 D N -0.369 120.020 120.400 -0.018 0.000 2.310 41 D HA -0.100 4.538 4.640 -0.004 0.000 0.212 41 D C 0.916 177.209 176.300 -0.012 0.000 0.965 41 D CA 0.782 54.773 54.000 -0.014 0.000 0.879 41 D CB -0.047 40.744 40.800 -0.015 0.000 0.921 41 D HN 0.795 nan 8.370 nan 0.000 0.510 42 E N -0.461 119.732 120.200 -0.012 0.000 2.499 42 E HA 0.317 4.664 4.350 -0.004 0.000 0.199 42 E C 0.807 177.405 176.600 -0.005 0.000 1.016 42 E CA 0.115 56.509 56.400 -0.009 0.000 0.933 42 E CB 0.444 30.137 29.700 -0.012 0.000 1.050 42 E HN 0.371 nan 8.360 nan 0.000 0.462 43 G N 1.570 110.368 108.800 -0.004 0.000 2.153 43 G HA2 -0.280 3.677 3.960 -0.004 0.000 0.252 43 G HA3 -0.280 3.677 3.960 -0.004 0.000 0.252 43 G C 0.196 175.100 174.900 0.007 0.000 0.994 43 G CA 0.474 45.576 45.100 0.003 0.000 0.698 43 G HN 0.343 nan 8.290 nan 0.000 0.521 44 V N 0.543 120.457 119.914 -0.001 0.000 2.383 44 V HA 0.808 4.926 4.120 -0.004 0.000 0.275 44 V C 0.183 176.272 176.094 -0.007 0.000 1.036 44 V CA 0.465 62.767 62.300 0.003 0.000 0.889 44 V CB 1.538 33.362 31.823 0.002 0.000 0.985 44 V HN 0.318 nan 8.190 nan 0.000 0.459 45 T N 5.736 120.293 114.554 0.006 0.000 2.829 45 T HA 0.773 5.121 4.350 -0.004 0.000 0.280 45 T C 0.100 174.795 174.700 -0.008 0.000 0.999 45 T CA 0.051 62.130 62.100 -0.035 0.000 0.983 45 T CB 1.423 70.278 68.868 -0.022 0.000 0.968 45 T HN 1.147 nan 8.240 nan 0.000 0.446 46 G N 1.296 110.046 108.800 -0.083 0.000 2.481 46 G HA2 0.671 4.629 3.960 -0.004 0.000 0.315 46 G HA3 0.671 4.629 3.960 -0.004 0.000 0.315 46 G C -1.993 172.859 174.900 -0.079 0.000 1.231 46 G CA -0.756 44.351 45.100 0.011 0.000 0.968 46 G HN 0.626 nan 8.290 nan 0.000 0.482 47 W N -0.454 120.854 121.300 0.013 0.000 2.844 47 W HA 0.696 5.354 4.660 -0.003 0.000 0.340 47 W C 0.271 176.764 176.519 -0.044 0.000 1.093 47 W CA -0.385 56.950 57.345 -0.017 0.000 1.212 47 W CB 3.016 32.432 29.460 -0.072 0.000 1.422 47 W HN 0.852 nan 8.180 nan 0.000 0.515 48 G N 0.890 109.810 108.800 0.200 0.000 2.690 48 G HA2 0.586 4.544 3.960 -0.004 0.000 0.293 48 G HA3 0.586 4.544 3.960 -0.004 0.000 0.293 48 G C -2.113 172.816 174.900 0.048 0.000 1.399 48 G CA -0.702 44.457 45.100 0.099 0.000 0.890 48 G HN 0.386 nan 8.290 nan 0.000 0.485 49 E N -0.441 119.784 120.200 0.042 0.000 2.293 49 E HA 0.653 5.001 4.350 -0.004 0.000 0.270 49 E C -0.685 176.024 176.600 0.182 0.000 0.879 49 E CA -1.109 55.349 56.400 0.097 0.000 0.756 49 E CB 2.158 31.869 29.700 0.019 0.000 1.208 49 E HN 0.805 nan 8.360 nan 0.000 0.428 50 G N 1.875 110.822 108.800 0.244 0.000 2.737 50 G HA2 0.421 4.379 3.960 -0.004 0.000 0.290 50 G HA3 0.421 4.379 3.960 -0.004 0.000 0.290 50 G C -1.461 173.605 174.900 0.276 0.000 1.482 50 G CA -0.448 44.802 45.100 0.251 0.000 1.017 50 G HN 0.485 nan 8.290 nan 0.000 0.529 51 C N 5.463 124.931 119.300 0.280 0.000 3.002 51 C HA 0.574 5.031 4.460 -0.004 0.000 0.248 51 C C -2.345 172.824 174.990 0.299 0.000 1.153 51 C CA -2.029 57.154 59.018 0.275 0.000 1.502 51 C CB -0.032 27.871 27.740 0.271 0.000 1.805 51 C HN 0.552 nan 8.230 nan 0.000 0.450 52 P HA -0.037 nan 4.420 nan 0.000 0.266 52 P C -0.120 177.378 177.300 0.331 0.000 1.193 52 P CA 0.203 63.481 63.100 0.296 0.000 0.770 52 P CB 0.422 32.240 31.700 0.197 0.000 0.836 53 W N 4.689 126.123 121.300 0.223 0.000 2.110 53 W HA 0.273 4.931 4.660 -0.005 0.000 0.450 53 W C 0.622 177.228 176.519 0.144 0.000 0.893 53 W CA 1.198 58.643 57.345 0.167 0.000 1.688 53 W CB -0.732 28.664 29.460 -0.107 0.000 1.779 53 W HN 0.755 nan 8.180 nan 0.000 0.300 54 G N 3.673 112.484 108.800 0.017 0.000 2.633 54 G HA2 -0.398 3.559 3.960 -0.004 0.000 0.263 54 G HA3 -0.398 3.559 3.960 -0.004 0.000 0.263 54 G C 0.121 175.023 174.900 0.003 0.000 1.310 54 G CA 0.851 45.916 45.100 -0.060 0.000 0.914 54 G HN 0.891 nan 8.290 nan 0.000 0.569 55 H N -2.949 116.127 119.070 0.011 0.000 2.672 55 H HA 0.678 5.231 4.556 -0.004 0.000 0.277 55 H C 1.709 177.020 175.328 -0.028 0.000 1.074 55 H CA 0.782 56.840 56.048 0.018 0.000 1.173 55 H CB 0.518 30.298 29.762 0.030 0.000 1.558 55 H HN 0.326 nan 8.280 nan 0.000 0.539 56 S N -0.524 115.120 115.700 -0.094 0.000 2.559 56 S HA 0.053 4.521 4.470 -0.004 0.000 0.226 56 S C 0.671 175.304 174.600 0.054 0.000 1.000 56 S CA -0.352 57.832 58.200 -0.027 0.000 0.948 56 S CB -0.060 63.064 63.200 -0.126 0.000 0.870 56 S HN 0.517 nan 8.310 nan 0.000 0.497 57 Y N 1.759 122.042 120.300 -0.030 0.000 2.262 57 Y HA 0.487 5.034 4.550 -0.005 0.000 0.295 57 Y C 0.346 176.252 175.900 0.012 0.000 1.121 57 Y CA 0.604 58.712 58.100 0.012 0.000 1.144 57 Y CB 0.197 38.727 38.460 0.115 0.000 1.043 57 Y HN 0.062 nan 8.280 nan 0.000 0.528 58 L N -0.427 120.712 121.223 -0.141 0.000 2.301 58 L HA 0.433 4.770 4.340 -0.004 0.000 0.249 58 L C -2.461 174.348 176.870 -0.103 0.000 1.069 58 L CA -2.403 52.322 54.840 -0.192 0.000 0.865 58 L CB 2.202 44.145 42.059 -0.193 0.000 1.467 58 L HN -0.206 nan 8.230 nan 0.000 0.419 59 P HA 0.330 nan 4.420 nan 0.000 0.260 59 P C -1.385 175.737 177.300 -0.297 0.000 1.651 59 P CA 0.129 63.136 63.100 -0.155 0.000 1.139 59 P CB 0.367 31.976 31.700 -0.152 0.000 1.756 60 A N 2.839 125.402 122.820 -0.429 0.000 2.583 60 A HA 0.663 4.981 4.320 -0.004 0.000 0.298 60 A C -1.448 175.966 177.584 -0.283 0.000 1.055 60 A CA -0.713 50.763 52.037 -0.934 0.000 0.714 60 A CB 0.817 19.517 19.000 -0.499 0.000 1.277 60 A HN 0.676 nan 8.150 nan 0.000 0.406 61 H N -1.324 117.464 119.070 -0.470 0.000 3.068 61 H HA 0.631 5.185 4.556 -0.004 0.000 0.342 61 H C 0.720 176.094 175.328 0.077 0.000 1.284 61 H CA -0.515 55.501 56.048 -0.054 0.000 1.181 61 H CB 1.115 30.878 29.762 0.002 0.000 1.898 61 H HN 0.959 nan 8.280 nan 0.000 0.540 62 G N 0.473 109.298 108.800 0.042 0.000 2.421 62 G HA2 -0.127 3.830 3.960 -0.004 0.000 0.216 62 G HA3 -0.127 3.830 3.960 -0.004 0.000 0.216 62 G C -0.987 173.832 174.900 -0.135 0.000 1.171 62 G CA 0.897 45.991 45.100 -0.010 0.000 0.775 62 G HN 0.506 nan 8.290 nan 0.000 0.543 63 P HA 0.014 nan 4.420 nan 0.000 0.220 63 P C 1.998 179.142 177.300 -0.258 0.000 1.148 63 P CA 1.572 64.564 63.100 -0.181 0.000 0.803 63 P CB -0.355 31.311 31.700 -0.057 0.000 0.782 64 G N -0.510 107.852 108.800 -0.730 0.000 2.448 64 G HA2 -0.164 3.794 3.960 -0.004 0.000 0.218 64 G HA3 -0.164 3.794 3.960 -0.004 0.000 0.218 64 G C 1.448 176.386 174.900 0.062 0.000 1.135 64 G CA 0.111 45.004 45.100 -0.345 0.000 0.784 64 G HN 0.251 nan 8.290 nan 0.000 0.543 65 L N -0.329 120.963 121.223 0.116 0.000 2.095 65 L HA 0.146 4.484 4.340 -0.004 0.000 0.204 65 L C 3.086 179.972 176.870 0.026 0.000 1.080 65 L CA 0.631 55.552 54.840 0.134 0.000 0.759 65 L CB -0.082 42.132 42.059 0.259 0.000 0.914 65 L HN 0.101 nan 8.230 nan 0.000 0.439 66 R N -0.479 120.033 120.500 0.020 0.000 2.115 66 R HA -0.103 4.234 4.340 -0.004 0.000 0.230 66 R C 2.248 178.559 176.300 0.018 0.000 1.111 66 R CA 1.095 57.212 56.100 0.029 0.000 0.976 66 R CB -0.380 29.930 30.300 0.016 0.000 0.870 66 R HN 0.423 nan 8.270 nan 0.000 0.445 67 A N 0.712 123.531 122.820 -0.003 0.000 1.898 67 A HA -0.057 4.260 4.320 -0.004 0.000 0.216 67 A C 2.359 179.911 177.584 -0.053 0.000 1.181 67 A CA 1.638 53.672 52.037 -0.005 0.000 0.620 67 A CB -0.963 18.046 19.000 0.014 0.000 0.819 67 A HN 0.445 nan 8.150 nan 0.000 0.442 68 G N -0.026 108.723 108.800 -0.086 0.000 2.422 68 G HA2 -0.170 3.788 3.960 -0.004 0.000 0.218 68 G HA3 -0.170 3.788 3.960 -0.004 0.000 0.218 68 G C 1.506 176.314 174.900 -0.154 0.000 1.146 68 G CA 1.111 46.111 45.100 -0.167 0.000 0.769 68 G HN 0.469 nan 8.290 nan 0.000 0.547 69 I N 1.327 121.829 120.570 -0.113 0.000 2.252 69 I HA -0.132 4.035 4.170 -0.004 0.000 0.245 69 I C 3.272 179.213 176.117 -0.292 0.000 1.102 69 I CA 0.846 62.061 61.300 -0.142 0.000 1.385 69 I CB -0.153 37.818 38.000 -0.047 0.000 1.064 69 I HN 0.234 nan 8.210 nan 0.000 0.414 70 A N 0.247 122.936 122.820 -0.220 0.000 1.892 70 A HA -0.254 4.063 4.320 -0.004 0.000 0.218 70 A C 2.395 179.831 177.584 -0.247 0.000 1.188 70 A CA 2.673 54.546 52.037 -0.274 0.000 0.631 70 A CB -1.199 17.816 19.000 0.024 0.000 0.822 70 A HN 0.376 nan 8.150 nan 0.000 0.447 71 T N 0.094 114.558 114.554 -0.149 0.000 2.788 71 T HA -0.039 4.308 4.350 -0.004 0.000 0.268 71 T C 1.723 176.388 174.700 -0.058 0.000 1.044 71 T CA 1.463 63.503 62.100 -0.099 0.000 1.139 71 T CB -0.293 68.506 68.868 -0.115 0.000 0.867 71 T HN 0.364 nan 8.240 nan 0.000 0.454 72 L N 0.413 121.566 121.223 -0.116 0.000 2.270 72 L HA 0.132 4.469 4.340 -0.004 0.000 0.210 72 L C 2.947 179.769 176.870 -0.080 0.000 1.104 72 L CA 0.468 55.275 54.840 -0.056 0.000 0.804 72 L CB -0.591 41.404 42.059 -0.107 0.000 0.937 72 L HN 0.208 nan 8.230 nan 0.000 0.450 73 A N 1.356 124.009 122.820 -0.278 0.000 1.884 73 A HA -0.177 4.140 4.320 -0.004 0.000 0.219 73 A C -0.088 177.358 177.584 -0.229 0.000 1.197 73 A CA 1.967 53.785 52.037 -0.365 0.000 0.637 73 A CB -1.917 16.549 19.000 -0.889 0.000 0.827 73 A HN 0.266 nan 8.150 nan 0.000 0.450 74 P HA -0.149 nan 4.420 nan 0.000 0.217 74 P C 0.558 177.627 177.300 -0.385 0.000 1.148 74 P CA 1.698 64.610 63.100 -0.314 0.000 0.828 74 P CB -0.238 31.208 31.700 -0.424 0.000 0.783 75 H N -2.174 116.838 119.070 -0.097 0.000 2.525 75 H HA 0.147 4.701 4.556 -0.003 0.000 0.275 75 H C 1.748 177.030 175.328 -0.077 0.000 0.984 75 H CA 0.586 56.586 56.048 -0.080 0.000 1.264 75 H CB -0.458 29.250 29.762 -0.090 0.000 1.432 75 H HN 0.076 nan 8.280 nan 0.000 0.549 76 L N -0.299 120.919 121.223 -0.009 0.000 2.249 76 L HA 0.053 4.390 4.340 -0.004 0.000 0.207 76 L C 0.010 176.861 176.870 -0.031 0.000 1.090 76 L CA -0.221 54.602 54.840 -0.027 0.000 0.802 76 L CB 0.088 42.118 42.059 -0.047 0.000 0.947 76 L HN 0.134 nan 8.230 nan 0.000 0.453 77 L N 1.351 122.546 121.223 -0.047 0.000 2.601 77 L HA 0.078 4.416 4.340 -0.004 0.000 0.277 77 L C 1.284 178.138 176.870 -0.027 0.000 1.219 77 L CA 1.490 56.308 54.840 -0.037 0.000 0.915 77 L CB -0.285 41.747 42.059 -0.044 0.000 1.160 77 L HN 0.404 nan 8.230 nan 0.000 0.494 78 G N 2.936 111.725 108.800 -0.018 0.000 2.234 78 G HA2 -0.219 3.738 3.960 -0.004 0.000 0.235 78 G HA3 -0.219 3.738 3.960 -0.004 0.000 0.235 78 G C 0.339 175.241 174.900 0.003 0.000 0.997 78 G CA 0.025 45.119 45.100 -0.010 0.000 0.623 78 G HN 0.459 nan 8.290 nan 0.000 0.514 79 L N 1.303 122.531 121.223 0.009 0.000 2.417 79 L HA 0.399 4.736 4.340 -0.004 0.000 0.268 79 L C 0.278 177.157 176.870 0.015 0.000 1.158 79 L CA -0.617 54.244 54.840 0.035 0.000 0.819 79 L CB 0.642 42.724 42.059 0.038 0.000 1.112 79 L HN 0.108 nan 8.230 nan 0.000 0.458 80 D N 4.093 124.507 120.400 0.023 0.000 2.336 80 D HA 0.101 4.738 4.640 -0.004 0.000 0.249 80 D C -1.545 174.746 176.300 -0.015 0.000 1.213 80 D CA -1.848 52.146 54.000 -0.010 0.000 0.870 80 D CB 1.345 42.127 40.800 -0.030 0.000 1.076 80 D HN 0.238 nan 8.370 nan 0.000 0.483 81 P HA 0.000 nan 4.420 nan 0.000 0.241 81 P C 0.950 178.187 177.300 -0.105 0.000 1.191 81 P CA 0.277 63.341 63.100 -0.060 0.000 0.771 81 P CB 0.450 32.118 31.700 -0.053 0.000 0.929 82 R N -0.193 120.246 120.500 -0.101 0.000 2.189 82 R HA 0.091 4.429 4.340 -0.004 0.000 0.218 82 R C 0.899 177.100 176.300 -0.165 0.000 1.074 82 R CA 0.599 56.614 56.100 -0.141 0.000 0.991 82 R CB -0.314 29.922 30.300 -0.107 0.000 0.883 82 R HN 0.054 nan 8.270 nan 0.000 0.457 83 S N 1.472 117.107 115.700 -0.110 0.000 3.729 83 S HA 0.165 4.633 4.470 -0.004 0.000 0.235 83 S C 1.153 175.701 174.600 -0.086 0.000 1.367 83 S CA -0.278 57.872 58.200 -0.084 0.000 0.907 83 S CB 0.217 63.402 63.200 -0.025 0.000 1.471 83 S HN 0.179 nan 8.310 nan 0.000 0.476 84 L N 1.083 122.185 121.223 -0.202 0.000 2.046 84 L HA -0.146 4.191 4.340 -0.004 0.000 0.208 84 L C 2.034 178.842 176.870 -0.103 0.000 1.077 84 L CA 1.112 55.812 54.840 -0.233 0.000 0.747 84 L CB -0.292 41.463 42.059 -0.507 0.000 0.896 84 L HN 0.351 nan 8.230 nan 0.000 0.432 85 D N -1.146 119.212 120.400 -0.069 0.000 2.117 85 D HA -0.236 4.401 4.640 -0.004 0.000 0.197 85 D C 1.990 178.289 176.300 -0.002 0.000 0.987 85 D CA 1.510 55.496 54.000 -0.023 0.000 0.829 85 D CB -0.206 40.585 40.800 -0.016 0.000 0.961 85 D HN 0.412 nan 8.370 nan 0.000 0.460 86 H N 0.689 119.719 119.070 -0.067 0.000 2.352 86 H HA -0.074 4.479 4.556 -0.005 0.000 0.299 86 H C 1.962 177.262 175.328 -0.047 0.000 1.097 86 H CA 1.493 57.509 56.048 -0.054 0.000 1.311 86 H CB -0.253 29.475 29.762 -0.057 0.000 1.377 86 H HN -0.097 nan 8.280 nan 0.000 0.504 87 V N 1.107 120.926 119.914 -0.158 0.000 2.407 87 V HA -0.282 3.835 4.120 -0.004 0.000 0.248 87 V C 2.219 178.217 176.094 -0.160 0.000 1.055 87 V CA 2.016 64.204 62.300 -0.187 0.000 1.049 87 V CB -0.503 31.270 31.823 -0.084 0.000 0.662 87 V HN 0.599 nan 8.190 nan 0.000 0.455 88 N N 0.086 118.727 118.700 -0.098 0.000 2.120 88 N HA -0.163 4.575 4.740 -0.004 0.000 0.188 88 N C 2.047 177.506 175.510 -0.085 0.000 1.024 88 N CA 1.337 54.351 53.050 -0.060 0.000 0.852 88 N CB -0.188 38.293 38.487 -0.010 0.000 1.003 88 N HN 0.492 nan 8.380 nan 0.000 0.424 89 R N 0.646 121.076 120.500 -0.117 0.000 2.096 89 R HA -0.036 4.301 4.340 -0.004 0.000 0.235 89 R C 2.291 178.499 176.300 -0.153 0.000 1.127 89 R CA 0.738 56.770 56.100 -0.113 0.000 0.968 89 R CB -0.306 29.939 30.300 -0.091 0.000 0.861 89 R HN 0.044 nan 8.270 nan 0.000 0.440 90 V N 1.378 121.142 119.914 -0.250 0.000 2.295 90 V HA -0.279 3.839 4.120 -0.004 0.000 0.246 90 V C 2.353 178.354 176.094 -0.155 0.000 1.049 90 V CA 1.823 63.991 62.300 -0.220 0.000 1.024 90 V CB -0.351 31.311 31.823 -0.268 0.000 0.648 90 V HN 0.335 nan 8.190 nan 0.000 0.447 91 M N -0.449 119.072 119.600 -0.132 0.000 2.159 91 M HA -0.189 4.288 4.480 -0.004 0.000 0.263 91 M C 1.837 178.080 176.300 -0.094 0.000 1.063 91 M CA 1.701 56.938 55.300 -0.104 0.000 1.110 91 M CB -0.632 31.924 32.600 -0.072 0.000 1.374 91 M HN 0.326 nan 8.290 nan 0.000 0.411 92 D N 0.378 120.731 120.400 -0.078 0.000 2.183 92 D HA -0.064 4.574 4.640 -0.004 0.000 0.203 92 D C 1.864 178.125 176.300 -0.065 0.000 0.969 92 D CA 0.864 54.833 54.000 -0.052 0.000 0.842 92 D CB -0.086 40.696 40.800 -0.030 0.000 0.957 92 D HN 0.181 nan 8.370 nan 0.000 0.484 93 L N 0.749 121.918 121.223 -0.090 0.000 2.072 93 L HA -0.095 4.242 4.340 -0.004 0.000 0.205 93 L C 1.917 178.705 176.870 -0.137 0.000 1.079 93 L CA 1.559 56.341 54.840 -0.096 0.000 0.752 93 L CB -0.256 41.743 42.059 -0.099 0.000 0.906 93 L HN -0.104 nan 8.230 nan 0.000 0.436 94 Q N -1.276 118.408 119.800 -0.193 0.000 2.389 94 Q HA 0.186 4.523 4.340 -0.004 0.000 0.204 94 Q C -0.193 175.671 176.000 -0.227 0.000 0.944 94 Q CA 0.336 55.963 55.803 -0.294 0.000 0.908 94 Q CB 0.610 29.059 28.738 -0.483 0.000 1.002 94 Q HN 0.267 nan 8.270 nan 0.000 0.493 95 L N 0.869 121.995 121.223 -0.162 0.000 2.595 95 L HA 0.404 4.741 4.340 -0.004 0.000 0.259 95 L C -2.869 173.966 176.870 -0.058 0.000 1.033 95 L CA -1.689 53.058 54.840 -0.155 0.000 0.901 95 L CB 1.817 43.735 42.059 -0.234 0.000 1.151 95 L HN -0.223 nan 8.230 nan 0.000 0.453 96 P HA 0.430 nan 4.420 nan 0.000 0.270 96 P C 0.594 177.993 177.300 0.166 0.000 1.223 96 P CA 1.153 64.284 63.100 0.051 0.000 0.785 96 P CB 0.700 32.425 31.700 0.042 0.000 0.923 97 G N 1.489 110.364 108.800 0.125 0.000 2.574 97 G HA2 -0.322 3.635 3.960 -0.004 0.000 0.286 97 G HA3 -0.322 3.635 3.960 -0.004 0.000 0.286 97 G C -0.520 174.477 174.900 0.162 0.000 1.212 97 G CA 0.507 45.676 45.100 0.115 0.000 0.979 97 G HN 0.719 nan 8.290 nan 0.000 0.557 98 H N -0.801 118.289 119.070 0.034 0.000 2.604 98 H HA -0.122 4.432 4.556 -0.004 0.000 0.321 98 H C 1.822 177.081 175.328 -0.115 0.000 1.132 98 H CA 1.197 57.195 56.048 -0.083 0.000 1.129 98 H CB -1.555 28.076 29.762 -0.218 0.000 1.526 98 H HN 0.648 nan 8.280 nan 0.000 0.415 99 S N -0.879 114.897 115.700 0.127 0.000 2.399 99 S HA -0.213 4.254 4.470 -0.004 0.000 0.231 99 S C 1.895 176.591 174.600 0.161 0.000 1.022 99 S CA 1.351 59.636 58.200 0.142 0.000 0.983 99 S CB -0.227 63.086 63.200 0.188 0.000 0.803 99 S HN 0.808 nan 8.310 nan 0.000 0.480 100 Y N 0.392 120.769 120.300 0.129 0.000 2.352 100 Y HA 0.026 4.574 4.550 -0.004 0.000 0.292 100 Y C 1.906 177.888 175.900 0.137 0.000 1.136 100 Y CA 0.416 58.600 58.100 0.141 0.000 1.227 100 Y CB -0.813 37.735 38.460 0.147 0.000 0.991 100 Y HN 0.009 nan 8.280 nan 0.000 0.545 101 V N 1.276 120.931 119.914 -0.431 0.000 2.379 101 V HA -0.218 3.900 4.120 -0.004 0.000 0.245 101 V C 2.161 178.210 176.094 -0.074 0.000 1.044 101 V CA 2.131 64.261 62.300 -0.284 0.000 1.036 101 V CB -0.519 31.081 31.823 -0.371 0.000 0.664 101 V HN 0.394 nan 8.190 nan 0.000 0.453 102 K N -0.003 120.376 120.400 -0.035 0.000 2.296 102 K HA -0.046 4.271 4.320 -0.004 0.000 0.200 102 K C 2.420 179.058 176.600 0.062 0.000 1.048 102 K CA 1.161 57.455 56.287 0.011 0.000 0.966 102 K CB -0.202 32.310 32.500 0.019 0.000 0.754 102 K HN 0.394 nan 8.250 nan 0.000 0.466 103 S N 1.662 117.419 115.700 0.094 0.000 2.356 103 S HA -0.033 4.434 4.470 -0.004 0.000 0.223 103 S C -0.810 173.862 174.600 0.121 0.000 1.032 103 S CA 0.904 59.176 58.200 0.121 0.000 1.005 103 S CB -0.681 62.609 63.200 0.149 0.000 0.867 103 S HN 0.060 nan 8.310 nan 0.000 0.449 104 P HA -0.016 nan 4.420 nan 0.000 0.220 104 P C 1.374 178.735 177.300 0.102 0.000 1.148 104 P CA 0.966 64.139 63.100 0.121 0.000 0.803 104 P CB -0.204 31.580 31.700 0.139 0.000 0.782 105 I N 0.523 121.139 120.570 0.078 0.000 2.202 105 I HA -0.216 3.951 4.170 -0.004 0.000 0.242 105 I C 2.381 178.546 176.117 0.079 0.000 1.091 105 I CA 1.871 63.204 61.300 0.055 0.000 1.368 105 I CB -0.884 37.127 38.000 0.018 0.000 1.058 105 I HN -0.055 nan 8.210 nan 0.000 0.410 106 D N 0.669 121.135 120.400 0.109 0.000 2.144 106 D HA -0.257 4.380 4.640 -0.004 0.000 0.199 106 D C 2.324 178.801 176.300 0.296 0.000 0.984 106 D CA 1.232 55.342 54.000 0.183 0.000 0.834 106 D CB 0.022 40.945 40.800 0.205 0.000 0.955 106 D HN 0.192 nan 8.370 nan 0.000 0.465 107 M N -0.111 119.618 119.600 0.214 0.000 2.086 107 M HA -0.151 4.327 4.480 -0.004 0.000 0.261 107 M C 2.097 178.516 176.300 0.198 0.000 1.067 107 M CA 1.793 57.209 55.300 0.195 0.000 1.116 107 M CB -0.084 32.590 32.600 0.123 0.000 1.348 107 M HN 0.174 nan 8.290 nan 0.000 0.407 108 A N -0.608 122.298 122.820 0.143 0.000 1.933 108 A HA -0.181 4.137 4.320 -0.004 0.000 0.218 108 A C 2.144 179.780 177.584 0.086 0.000 1.175 108 A CA 1.721 53.820 52.037 0.104 0.000 0.628 108 A CB -1.329 17.700 19.000 0.048 0.000 0.814 108 A HN 0.718 nan 8.150 nan 0.000 0.444 109 C N -2.970 116.379 119.300 0.081 0.000 2.440 109 C HA -0.119 4.339 4.460 -0.004 0.000 0.278 109 C C 2.334 177.331 174.990 0.012 0.000 1.295 109 C CA 0.360 59.384 59.018 0.011 0.000 1.738 109 C CB -1.775 25.939 27.740 -0.045 0.000 1.987 109 C HN 0.830 nan 8.230 nan 0.000 0.492 110 W N 1.259 122.549 121.300 -0.016 0.000 2.363 110 W HA -0.124 4.534 4.660 -0.004 0.000 0.296 110 W C 2.292 178.782 176.519 -0.048 0.000 1.212 110 W CA 1.747 59.072 57.345 -0.033 0.000 1.260 110 W CB -0.494 28.947 29.460 -0.032 0.000 1.131 110 W HN 0.323 nan 8.180 nan 0.000 0.530 111 D N 0.262 120.789 120.400 0.212 0.000 2.092 111 D HA -0.208 4.429 4.640 -0.004 0.000 0.193 111 D C 1.913 178.254 176.300 0.068 0.000 0.994 111 D CA 1.769 55.840 54.000 0.118 0.000 0.828 111 D CB -0.439 40.437 40.800 0.127 0.000 0.963 111 D HN 0.108 nan 8.370 nan 0.000 0.450 112 I N -0.022 120.574 120.570 0.043 0.000 2.179 112 I HA -0.233 3.934 4.170 -0.004 0.000 0.242 112 I C 2.424 178.528 176.117 -0.022 0.000 1.088 112 I CA 0.555 61.857 61.300 0.004 0.000 1.357 112 I CB -0.252 37.736 38.000 -0.019 0.000 1.051 112 I HN 0.111 nan 8.210 nan 0.000 0.409 113 L N 1.103 122.295 121.223 -0.051 0.000 2.042 113 L HA -0.107 4.230 4.340 -0.004 0.000 0.210 113 L C 2.304 179.144 176.870 -0.050 0.000 1.076 113 L CA 2.304 57.086 54.840 -0.096 0.000 0.749 113 L CB -1.252 40.672 42.059 -0.224 0.000 0.893 113 L HN 0.201 nan 8.230 nan 0.000 0.432 114 G N -1.385 107.414 108.800 -0.001 0.000 2.421 114 G HA2 -0.278 3.680 3.960 -0.004 0.000 0.216 114 G HA3 -0.278 3.680 3.960 -0.004 0.000 0.216 114 G C 1.437 176.321 174.900 -0.027 0.000 1.171 114 G CA 0.793 45.886 45.100 -0.012 0.000 0.775 114 G HN 0.572 nan 8.290 nan 0.000 0.543 115 Q N -0.259 119.535 119.800 -0.010 0.000 2.124 115 Q HA -0.034 4.303 4.340 -0.004 0.000 0.202 115 Q C 2.771 178.761 176.000 -0.016 0.000 0.977 115 Q CA 1.148 56.947 55.803 -0.007 0.000 0.850 115 Q CB -0.211 28.534 28.738 0.012 0.000 0.901 115 Q HN 0.377 nan 8.270 nan 0.000 0.429 116 V N 0.695 120.594 119.914 -0.025 0.000 2.427 116 V HA -0.211 3.907 4.120 -0.004 0.000 0.248 116 V C 2.069 178.142 176.094 -0.036 0.000 1.051 116 V CA 1.769 64.050 62.300 -0.031 0.000 1.048 116 V CB -0.606 31.192 31.823 -0.041 0.000 0.666 116 V HN 0.391 nan 8.190 nan 0.000 0.456 117 A N -0.599 122.195 122.820 -0.043 0.000 2.119 117 A HA 0.320 4.637 4.320 -0.004 0.000 0.216 117 A C 1.961 179.518 177.584 -0.044 0.000 1.152 117 A CA 1.019 53.028 52.037 -0.047 0.000 0.708 117 A CB -0.577 18.390 19.000 -0.055 0.000 0.805 117 A HN 1.240 nan 8.150 nan 0.000 0.460 118 G N -1.052 107.724 108.800 -0.041 0.000 2.221 118 G HA2 -0.213 3.744 3.960 -0.004 0.000 0.265 118 G HA3 -0.213 3.744 3.960 -0.004 0.000 0.265 118 G C -0.137 174.724 174.900 -0.065 0.000 1.041 118 G CA 0.694 45.770 45.100 -0.040 0.000 0.807 118 G HN 0.569 nan 8.290 nan 0.000 0.502 119 L N 0.042 121.209 121.223 -0.093 0.000 2.370 119 L HA 0.592 4.930 4.340 -0.004 0.000 0.266 119 L C -2.054 174.680 176.870 -0.227 0.000 1.002 119 L CA -2.732 52.006 54.840 -0.170 0.000 0.818 119 L CB 2.600 44.551 42.059 -0.180 0.000 1.325 119 L HN -0.135 nan 8.230 nan 0.000 0.418 120 P HA 0.068 nan 4.420 nan 0.000 0.272 120 P C 0.524 177.504 177.300 -0.533 0.000 1.223 120 P CA -0.497 62.336 63.100 -0.444 0.000 0.784 120 P CB 1.193 32.476 31.700 -0.695 0.000 0.923 121 L N 2.332 123.236 121.223 -0.531 0.000 2.043 121 L HA -0.158 4.180 4.340 -0.004 0.000 0.212 121 L C 2.508 179.257 176.870 -0.201 0.000 1.075 121 L CA 1.795 56.370 54.840 -0.442 0.000 0.752 121 L CB -1.902 39.700 42.059 -0.761 0.000 0.891 121 L HN 0.624 nan 8.230 nan 0.000 0.432 122 W N -0.668 120.714 121.300 0.136 0.000 2.364 122 W HA -0.267 4.391 4.660 -0.004 0.000 0.281 122 W C 1.966 178.534 176.519 0.082 0.000 1.219 122 W CA 1.122 58.564 57.345 0.162 0.000 1.220 122 W CB -1.002 28.584 29.460 0.209 0.000 1.127 122 W HN 0.380 nan 8.180 nan 0.000 0.556 123 Q N 0.974 120.484 119.800 -0.484 0.000 2.163 123 Q HA -0.034 4.303 4.340 -0.004 0.000 0.198 123 Q C 2.533 178.481 176.000 -0.086 0.000 0.954 123 Q CA 0.942 56.549 55.803 -0.327 0.000 0.851 123 Q CB -0.245 28.075 28.738 -0.697 0.000 0.928 123 Q HN 0.335 nan 8.270 nan 0.000 0.459 124 L N 0.436 121.614 121.223 -0.076 0.000 2.201 124 L HA -0.131 4.206 4.340 -0.004 0.000 0.212 124 L C 1.700 178.660 176.870 0.150 0.000 1.105 124 L CA 0.677 55.567 54.840 0.084 0.000 0.775 124 L CB -0.085 42.114 42.059 0.233 0.000 0.913 124 L HN 0.295 nan 8.230 nan 0.000 0.440 125 L N -0.462 120.810 121.223 0.082 0.000 2.627 125 L HA 0.120 4.458 4.340 -0.004 0.000 0.233 125 L C 1.440 178.372 176.870 0.104 0.000 1.144 125 L CA 0.551 55.431 54.840 0.066 0.000 0.892 125 L CB -0.386 41.664 42.059 -0.014 0.000 1.039 125 L HN 0.451 nan 8.230 nan 0.000 0.442 126 G N -0.572 108.298 108.800 0.117 0.000 2.175 126 G HA2 -0.219 3.738 3.960 -0.004 0.000 0.244 126 G HA3 -0.219 3.738 3.960 -0.004 0.000 0.244 126 G C 0.575 175.572 174.900 0.162 0.000 0.982 126 G CA -0.259 44.912 45.100 0.118 0.000 0.641 126 G HN 0.513 nan 8.290 nan 0.000 0.527 127 G N 0.241 109.197 108.800 0.260 0.000 2.467 127 G HA2 0.532 4.489 3.960 -0.004 0.000 0.257 127 G HA3 0.532 4.489 3.960 -0.004 0.000 0.257 127 G C 0.828 175.941 174.900 0.356 0.000 1.227 127 G CA 0.615 45.895 45.100 0.300 0.000 0.835 127 G HN 0.782 nan 8.290 nan 0.000 0.556 128 E N 1.018 121.334 120.200 0.193 0.000 2.208 128 E HA 0.307 4.655 4.350 -0.004 0.000 0.193 128 E C 0.963 177.659 176.600 0.160 0.000 0.988 128 E CA 0.895 57.401 56.400 0.176 0.000 0.828 128 E CB 0.158 29.905 29.700 0.078 0.000 0.763 128 E HN 0.592 nan 8.360 nan 0.000 0.478 129 A N 0.270 123.006 122.820 -0.139 0.000 2.599 129 A HA 0.661 4.979 4.320 -0.004 0.000 0.290 129 A C -1.107 175.717 177.584 -1.266 0.000 1.101 129 A CA -0.448 51.224 52.037 -0.610 0.000 0.674 129 A CB 1.026 19.859 19.000 -0.278 0.000 1.277 129 A HN 0.268 nan 8.150 nan 0.000 0.419 130 A N 1.370 123.310 122.820 -1.466 0.000 3.030 130 A HA 0.499 4.816 4.320 -0.004 0.000 0.273 130 A C 0.474 177.709 177.584 -0.583 0.000 1.841 130 A CA 0.428 51.726 52.037 -1.233 0.000 1.479 130 A CB -1.530 17.021 19.000 -0.748 0.000 1.048 130 A HN 0.800 nan 8.150 nan 0.000 0.612 131 T N 5.245 119.516 114.554 -0.471 0.000 2.853 131 T HA 0.288 4.636 4.350 -0.004 0.000 0.298 131 T C -2.237 172.339 174.700 -0.206 0.000 0.978 131 T CA -0.390 61.552 62.100 -0.263 0.000 1.152 131 T CB 0.445 69.203 68.868 -0.184 0.000 0.914 131 T HN 0.490 nan 8.240 nan 0.000 0.539 132 P HA 0.122 nan 4.420 nan 0.000 0.267 132 P C -0.712 176.529 177.300 -0.099 0.000 1.209 132 P CA -0.160 62.866 63.100 -0.123 0.000 0.763 132 P CB 0.441 32.080 31.700 -0.102 0.000 0.816 133 V N 7.096 126.958 119.914 -0.086 0.000 2.394 133 V HA 0.259 4.377 4.120 -0.004 0.000 0.282 133 V C -1.960 174.106 176.094 -0.046 0.000 1.031 133 V CA -2.158 60.106 62.300 -0.059 0.000 0.881 133 V CB 1.214 33.008 31.823 -0.047 0.000 0.982 133 V HN 0.485 nan 8.190 nan 0.000 0.451 134 P HA 0.186 nan 4.420 nan 0.000 0.268 134 P C -0.786 176.514 177.300 0.001 0.000 1.205 134 P CA -0.010 63.070 63.100 -0.033 0.000 0.771 134 P CB 0.417 32.095 31.700 -0.036 0.000 0.858 135 I N 2.423 123.003 120.570 0.016 0.000 2.412 135 I HA 0.280 4.447 4.170 -0.004 0.000 0.296 135 I C 0.717 176.931 176.117 0.161 0.000 0.987 135 I CA -1.043 60.306 61.300 0.082 0.000 1.180 135 I CB 1.069 39.115 38.000 0.077 0.000 1.340 135 I HN 0.438 nan 8.210 nan 0.000 0.455 136 N N 2.846 121.623 118.700 0.129 0.000 2.489 136 N HA 0.476 5.213 4.740 -0.004 0.000 0.284 136 N C -0.292 175.161 175.510 -0.095 0.000 1.158 136 N CA -0.692 52.379 53.050 0.034 0.000 0.965 136 N CB 1.138 39.596 38.487 -0.050 0.000 1.195 136 N HN 0.571 nan 8.380 nan 0.000 0.506 137 S N 0.121 115.604 115.700 -0.362 0.000 2.617 137 S HA 0.356 4.823 4.470 -0.004 0.000 0.269 137 S C -0.182 174.320 174.600 -0.164 0.000 1.292 137 S CA -0.894 56.973 58.200 -0.556 0.000 1.010 137 S CB 0.874 63.772 63.200 -0.503 0.000 0.944 137 S HN 0.536 nan 8.310 nan 0.000 0.536 138 S N 1.384 117.033 115.700 -0.085 0.000 2.438 138 S HA 0.485 4.953 4.470 -0.004 0.000 0.316 138 S C -0.586 173.989 174.600 -0.041 0.000 1.084 138 S CA -0.759 57.430 58.200 -0.019 0.000 1.107 138 S CB -0.021 63.273 63.200 0.157 0.000 0.981 138 S HN 0.578 nan 8.310 nan 0.000 0.466 139 I N 3.528 124.057 120.570 -0.068 0.000 2.337 139 I HA 0.261 4.428 4.170 -0.004 0.000 0.285 139 I C 0.848 176.930 176.117 -0.058 0.000 1.041 139 I CA -0.271 60.995 61.300 -0.057 0.000 1.199 139 I CB 0.567 38.529 38.000 -0.063 0.000 1.370 139 I HN 0.427 nan 8.210 nan 0.000 0.470 140 S N 4.262 119.936 115.700 -0.043 0.000 2.566 140 S HA 0.107 4.574 4.470 -0.004 0.000 0.280 140 S C 0.625 175.202 174.600 -0.039 0.000 1.343 140 S CA -0.065 58.103 58.200 -0.054 0.000 1.036 140 S CB 0.454 63.635 63.200 -0.032 0.000 0.866 140 S HN 0.624 nan 8.310 nan 0.000 0.526 141 T N 2.870 117.394 114.554 -0.050 0.000 2.930 141 T HA 0.532 4.879 4.350 -0.004 0.000 0.306 141 T C 0.687 175.389 174.700 0.005 0.000 1.045 141 T CA 0.088 62.175 62.100 -0.021 0.000 1.134 141 T CB 0.773 69.621 68.868 -0.033 0.000 0.961 141 T HN 0.841 nan 8.240 nan 0.000 0.545 142 G N 1.470 110.281 108.800 0.019 0.000 2.435 142 G HA2 0.534 4.491 3.960 -0.004 0.000 0.296 142 G HA3 0.534 4.491 3.960 -0.004 0.000 0.296 142 G C -0.281 174.637 174.900 0.030 0.000 1.240 142 G CA -0.288 44.829 45.100 0.028 0.000 0.872 142 G HN 0.880 nan 8.290 nan 0.000 0.480 143 T N -0.317 114.254 114.554 0.028 0.000 2.788 143 T HA 0.511 4.859 4.350 -0.004 0.000 0.287 143 T C -0.833 173.883 174.700 0.028 0.000 1.007 143 T CA -0.371 61.745 62.100 0.027 0.000 1.005 143 T CB 1.795 70.676 68.868 0.022 0.000 1.012 143 T HN 0.270 nan 8.240 nan 0.000 0.530 144 P HA -0.177 nan 4.420 nan 0.000 0.217 144 P C 1.060 178.373 177.300 0.022 0.000 1.162 144 P CA 1.515 64.632 63.100 0.029 0.000 0.901 144 P CB -0.043 31.670 31.700 0.022 0.000 0.793 145 D N -0.644 119.766 120.400 0.016 0.000 2.178 145 D HA -0.131 4.506 4.640 -0.004 0.000 0.202 145 D C 2.279 178.584 176.300 0.009 0.000 0.974 145 D CA 0.953 54.960 54.000 0.011 0.000 0.841 145 D CB -0.332 40.473 40.800 0.009 0.000 0.953 145 D HN 0.336 nan 8.370 nan 0.000 0.478 146 Q N 0.081 119.889 119.800 0.013 0.000 1.967 146 Q HA -0.078 4.259 4.340 -0.004 0.000 0.202 146 Q C 2.415 178.418 176.000 0.004 0.000 0.985 146 Q CA 1.222 57.032 55.803 0.012 0.000 0.839 146 Q CB -0.083 28.666 28.738 0.019 0.000 0.906 146 Q HN 0.241 nan 8.270 nan 0.000 0.423 147 M N -0.126 119.478 119.600 0.007 0.000 2.149 147 M HA -0.201 4.277 4.480 -0.004 0.000 0.261 147 M C 2.001 178.286 176.300 -0.024 0.000 1.064 147 M CA 0.963 56.262 55.300 -0.003 0.000 1.102 147 M CB -0.214 32.399 32.600 0.020 0.000 1.369 147 M HN 0.199 nan 8.290 nan 0.000 0.408 148 L N 0.153 121.367 121.223 -0.015 0.000 2.141 148 L HA -0.001 4.336 4.340 -0.004 0.000 0.209 148 L C 2.434 179.278 176.870 -0.044 0.000 1.094 148 L CA 1.753 56.574 54.840 -0.032 0.000 0.763 148 L CB -1.309 40.743 42.059 -0.012 0.000 0.908 148 L HN 0.257 nan 8.230 nan 0.000 0.437 149 G N -1.291 107.494 108.800 -0.025 0.000 2.403 149 G HA2 -0.186 3.771 3.960 -0.004 0.000 0.216 149 G HA3 -0.186 3.771 3.960 -0.004 0.000 0.216 149 G C 1.630 176.516 174.900 -0.024 0.000 1.154 149 G CA 0.470 45.558 45.100 -0.021 0.000 0.784 149 G HN 0.371 nan 8.290 nan 0.000 0.538 150 L N 0.059 121.266 121.223 -0.027 0.000 2.353 150 L HA 0.088 4.425 4.340 -0.004 0.000 0.220 150 L C 2.548 179.385 176.870 -0.055 0.000 1.133 150 L CA 0.458 55.281 54.840 -0.028 0.000 0.798 150 L CB -0.078 41.965 42.059 -0.026 0.000 0.922 150 L HN 0.239 nan 8.230 nan 0.000 0.445 151 I N -1.327 119.181 120.570 -0.103 0.000 2.429 151 I HA -0.121 4.046 4.170 -0.004 0.000 0.247 151 I C 2.675 178.710 176.117 -0.135 0.000 1.099 151 I CA 0.770 61.941 61.300 -0.214 0.000 1.422 151 I CB -0.360 37.440 38.000 -0.334 0.000 1.112 151 I HN 0.125 nan 8.210 nan 0.000 0.430 152 A N 0.507 123.271 122.820 -0.095 0.000 1.958 152 A HA -0.317 4.000 4.320 -0.004 0.000 0.221 152 A C 2.236 179.824 177.584 0.007 0.000 1.178 152 A CA 2.275 54.282 52.037 -0.049 0.000 0.642 152 A CB -0.714 18.262 19.000 -0.040 0.000 0.816 152 A HN 0.511 nan 8.150 nan 0.000 0.453 153 E N -0.585 119.624 120.200 0.014 0.000 2.015 153 E HA -0.064 4.284 4.350 -0.004 0.000 0.191 153 E C 2.341 179.008 176.600 0.112 0.000 0.991 153 E CA 0.875 57.304 56.400 0.048 0.000 0.802 153 E CB -0.291 29.428 29.700 0.032 0.000 0.759 153 E HN 0.535 nan 8.360 nan 0.000 0.447 154 A N 1.534 124.432 122.820 0.130 0.000 1.896 154 A HA -0.307 4.010 4.320 -0.004 0.000 0.220 154 A C 2.437 180.283 177.584 0.437 0.000 1.206 154 A CA 2.672 54.888 52.037 0.299 0.000 0.647 154 A CB -1.192 17.940 19.000 0.220 0.000 0.828 154 A HN 0.444 nan 8.150 nan 0.000 0.455 155 A N -0.644 122.375 122.820 0.331 0.000 1.940 155 A HA 0.116 4.434 4.320 -0.004 0.000 0.219 155 A C 2.441 180.151 177.584 0.209 0.000 1.176 155 A CA 2.276 54.521 52.037 0.347 0.000 0.631 155 A CB -0.944 18.148 19.000 0.154 0.000 0.814 155 A HN 1.287 nan 8.150 nan 0.000 0.446 156 A N -1.083 121.818 122.820 0.135 0.000 2.066 156 A HA -0.084 4.233 4.320 -0.004 0.000 0.218 156 A C 1.912 179.534 177.584 0.062 0.000 1.157 156 A CA 1.328 53.413 52.037 0.080 0.000 0.670 156 A CB -0.333 18.700 19.000 0.054 0.000 0.804 156 A HN 0.657 nan 8.150 nan 0.000 0.453 157 Q N -1.680 118.176 119.800 0.094 0.000 2.403 157 Q HA 0.292 4.629 4.340 -0.004 0.000 0.203 157 Q C 1.066 176.957 176.000 -0.181 0.000 0.932 157 Q CA 0.413 56.214 55.803 -0.003 0.000 0.945 157 Q CB 0.299 29.087 28.738 0.083 0.000 1.045 157 Q HN 0.810 nan 8.270 nan 0.000 0.511 158 G N -0.196 108.548 108.800 -0.093 0.000 2.179 158 G HA2 -0.267 3.690 3.960 -0.004 0.000 0.220 158 G HA3 -0.267 3.690 3.960 -0.004 0.000 0.220 158 G C -0.365 174.414 174.900 -0.203 0.000 0.990 158 G CA -0.615 44.389 45.100 -0.159 0.000 0.646 158 G HN 0.326 nan 8.290 nan 0.000 0.517 159 Y N 0.732 121.046 120.300 0.024 0.000 2.465 159 Y HA 0.467 5.015 4.550 -0.005 0.000 0.331 159 Y C 1.878 177.670 175.900 -0.180 0.000 1.102 159 Y CA 0.151 58.212 58.100 -0.064 0.000 1.358 159 Y CB 0.630 39.090 38.460 0.000 0.000 1.213 159 Y HN 0.072 nan 8.280 nan 0.000 0.525 160 R N 0.777 121.119 120.500 -0.262 0.000 2.476 160 R HA 0.184 4.521 4.340 -0.004 0.000 0.276 160 R C -0.475 175.523 176.300 -0.503 0.000 0.941 160 R CA 0.188 55.906 56.100 -0.637 0.000 1.088 160 R CB 0.701 30.687 30.300 -0.523 0.000 1.216 160 R HN 0.532 nan 8.270 nan 0.000 0.533 161 T N 0.854 115.094 114.554 -0.522 0.000 2.893 161 T HA 0.431 4.778 4.350 -0.004 0.000 0.293 161 T C -0.952 173.378 174.700 -0.616 0.000 1.027 161 T CA -0.675 61.191 62.100 -0.389 0.000 0.988 161 T CB 2.138 70.932 68.868 -0.123 0.000 1.043 161 T HN 0.075 nan 8.240 nan 0.000 0.461 162 H N 0.513 119.563 119.070 -0.033 0.000 2.759 162 H HA 0.461 5.015 4.556 -0.004 0.000 0.354 162 H C -0.825 174.398 175.328 -0.175 0.000 1.074 162 H CA -0.621 55.368 56.048 -0.098 0.000 1.226 162 H CB 2.067 31.787 29.762 -0.070 0.000 1.648 162 H HN 0.562 nan 8.280 nan 0.000 0.529 163 S N 2.174 117.814 115.700 -0.099 0.000 2.434 163 S HA 0.499 4.967 4.470 -0.004 0.000 0.318 163 S C -0.006 174.488 174.600 -0.177 0.000 1.062 163 S CA -0.657 57.423 58.200 -0.200 0.000 1.116 163 S CB -0.452 62.582 63.200 -0.277 0.000 0.977 163 S HN 0.710 nan 8.310 nan 0.000 0.480 164 A N 6.414 129.112 122.820 -0.204 0.000 2.310 164 A HA 0.414 4.731 4.320 -0.004 0.000 0.300 164 A C 0.185 177.733 177.584 -0.060 0.000 1.269 164 A CA -0.612 51.355 52.037 -0.117 0.000 0.909 164 A CB 0.190 19.121 19.000 -0.115 0.000 1.144 164 A HN 0.723 nan 8.150 nan 0.000 0.540 165 K N 3.896 124.241 120.400 -0.091 0.000 2.338 165 K HA 0.314 4.631 4.320 -0.004 0.000 0.290 165 K C 0.141 176.700 176.600 -0.067 0.000 1.069 165 K CA 0.296 56.509 56.287 -0.123 0.000 0.941 165 K CB 0.205 32.601 32.500 -0.173 0.000 1.023 165 K HN 0.779 nan 8.250 nan 0.000 0.477 166 I N -2.221 118.300 120.570 -0.081 0.000 3.617 166 I HA 0.838 5.005 4.170 -0.004 0.000 0.283 166 I C 0.216 176.222 176.117 -0.185 0.000 1.160 166 I CA -0.966 60.298 61.300 -0.061 0.000 1.084 166 I CB 2.078 40.087 38.000 0.016 0.000 1.365 166 I HN 0.586 nan 8.210 nan 0.000 0.494 167 G N -0.737 107.978 108.800 -0.141 0.000 2.497 167 G HA2 0.496 4.453 3.960 -0.004 0.000 0.686 167 G HA3 0.496 4.453 3.960 -0.004 0.000 0.686 167 G C -0.330 174.590 174.900 0.033 0.000 1.288 167 G CA -0.080 44.894 45.100 -0.211 0.000 0.899 167 G HN 2.494 nan 8.290 nan 0.000 0.608 168 G N -1.721 107.144 108.800 0.107 0.000 2.515 168 G HA2 0.494 4.451 3.960 -0.004 0.000 0.686 168 G HA3 0.494 4.451 3.960 -0.004 0.000 0.686 168 G C 0.625 175.661 174.900 0.226 0.000 1.274 168 G CA 0.679 45.862 45.100 0.139 0.000 0.874 168 G HN 2.354 nan 8.290 nan 0.000 0.631 169 S N -1.028 114.754 115.700 0.136 0.000 2.614 169 S HA 0.364 4.831 4.470 -0.004 0.000 0.230 169 S C 0.191 174.820 174.600 0.048 0.000 0.952 169 S CA 0.793 59.052 58.200 0.099 0.000 0.949 169 S CB 0.595 63.835 63.200 0.066 0.000 0.786 169 S HN 0.763 nan 8.310 nan 0.000 0.478 170 D N 2.282 122.718 120.400 0.059 0.000 2.477 170 D HA 0.385 5.022 4.640 -0.004 0.000 0.239 170 D C -1.844 174.464 176.300 0.012 0.000 1.102 170 D CA -2.370 51.645 54.000 0.025 0.000 0.901 170 D CB 1.698 42.516 40.800 0.030 0.000 1.026 170 D HN -0.007 nan 8.370 nan 0.000 0.515 171 P HA -0.169 nan 4.420 nan 0.000 0.215 171 P C 1.210 178.471 177.300 -0.065 0.000 1.157 171 P CA 1.467 64.499 63.100 -0.112 0.000 0.874 171 P CB 0.197 31.808 31.700 -0.149 0.000 0.790 172 A N 0.480 123.273 122.820 -0.044 0.000 1.927 172 A HA -0.300 4.018 4.320 -0.004 0.000 0.220 172 A C 2.246 179.822 177.584 -0.013 0.000 1.185 172 A CA 2.427 54.445 52.037 -0.031 0.000 0.639 172 A CB -1.302 17.684 19.000 -0.022 0.000 0.820 172 A HN 0.453 nan 8.150 nan 0.000 0.451 173 Q N -1.784 118.020 119.800 0.008 0.000 2.250 173 Q HA -0.065 4.272 4.340 -0.004 0.000 0.200 173 Q C 1.033 177.055 176.000 0.037 0.000 0.941 173 Q CA 0.844 56.659 55.803 0.021 0.000 0.872 173 Q CB -0.395 28.360 28.738 0.028 0.000 0.965 173 Q HN 0.445 nan 8.270 nan 0.000 0.480 174 D N 1.836 122.278 120.400 0.070 0.000 2.133 174 D HA -0.148 4.489 4.640 -0.004 0.000 0.195 174 D C 1.949 178.266 176.300 0.028 0.000 0.997 174 D CA 1.135 55.205 54.000 0.116 0.000 0.840 174 D CB -0.159 40.830 40.800 0.314 0.000 0.947 174 D HN 0.280 nan 8.370 nan 0.000 0.452 175 I N 0.962 121.520 120.570 -0.020 0.000 2.163 175 I HA -0.292 3.875 4.170 -0.004 0.000 0.243 175 I C 2.471 178.558 176.117 -0.049 0.000 1.085 175 I CA 1.239 62.504 61.300 -0.059 0.000 1.347 175 I CB -0.147 37.812 38.000 -0.068 0.000 1.044 175 I HN -0.060 nan 8.210 nan 0.000 0.408 176 A N 0.600 123.406 122.820 -0.023 0.000 1.877 176 A HA -0.208 4.110 4.320 -0.004 0.000 0.216 176 A C 2.372 179.954 177.584 -0.003 0.000 1.186 176 A CA 1.502 53.532 52.037 -0.011 0.000 0.620 176 A CB -0.589 18.411 19.000 -0.001 0.000 0.822 176 A HN 0.279 nan 8.150 nan 0.000 0.443 177 R N -0.545 119.959 120.500 0.007 0.000 2.094 177 R HA -0.141 4.196 4.340 -0.004 0.000 0.239 177 R C 2.056 178.361 176.300 0.008 0.000 1.137 177 R CA 1.920 58.038 56.100 0.031 0.000 0.943 177 R CB -0.577 29.754 30.300 0.051 0.000 0.850 177 R HN 0.583 nan 8.270 nan 0.000 0.433 178 I N 0.620 121.101 120.570 -0.149 0.000 2.179 178 I HA -0.258 3.909 4.170 -0.004 0.000 0.242 178 I C 2.374 178.421 176.117 -0.116 0.000 1.088 178 I CA 1.229 62.284 61.300 -0.409 0.000 1.357 178 I CB -0.228 37.403 38.000 -0.616 0.000 1.051 178 I HN 0.174 nan 8.210 nan 0.000 0.409 179 E N 0.831 120.991 120.200 -0.066 0.000 2.072 179 E HA -0.168 4.179 4.350 -0.004 0.000 0.191 179 E C 2.274 178.894 176.600 0.033 0.000 0.985 179 E CA 1.365 57.758 56.400 -0.011 0.000 0.801 179 E CB -0.335 29.354 29.700 -0.019 0.000 0.750 179 E HN 0.481 nan 8.360 nan 0.000 0.452 180 A N 1.564 124.405 122.820 0.035 0.000 1.841 180 A HA -0.189 4.129 4.320 -0.004 0.000 0.216 180 A C 2.385 180.015 177.584 0.077 0.000 1.199 180 A CA 1.571 53.636 52.037 0.046 0.000 0.621 180 A CB -0.927 18.096 19.000 0.038 0.000 0.835 180 A HN 0.187 nan 8.150 nan 0.000 0.445 181 I N -0.528 120.120 120.570 0.129 0.000 2.163 181 I HA -0.252 3.916 4.170 -0.004 0.000 0.243 181 I C 2.836 179.070 176.117 0.194 0.000 1.085 181 I CA 1.725 63.125 61.300 0.167 0.000 1.347 181 I CB -0.281 37.892 38.000 0.288 0.000 1.044 181 I HN 0.430 nan 8.210 nan 0.000 0.408 182 S N 0.247 116.114 115.700 0.278 0.000 2.402 182 S HA -0.093 4.374 4.470 -0.004 0.000 0.229 182 S C 2.098 176.777 174.600 0.130 0.000 1.021 182 S CA 1.224 59.575 58.200 0.252 0.000 0.974 182 S CB -0.120 63.249 63.200 0.281 0.000 0.800 182 S HN 0.467 nan 8.310 nan 0.000 0.484 183 A N 0.284 123.160 122.820 0.093 0.000 1.930 183 A HA 0.335 4.652 4.320 -0.004 0.000 0.215 183 A C 1.742 179.350 177.584 0.041 0.000 1.176 183 A CA 1.105 53.175 52.037 0.056 0.000 0.632 183 A CB -0.767 18.257 19.000 0.039 0.000 0.819 183 A HN 0.586 nan 8.150 nan 0.000 0.445 184 G N -0.107 108.714 108.800 0.036 0.000 4.637 184 G HA2 0.492 4.450 3.960 -0.004 0.000 0.308 184 G HA3 0.492 4.450 3.960 -0.004 0.000 0.308 184 G C -0.193 174.702 174.900 -0.008 0.000 1.377 184 G CA -0.354 44.752 45.100 0.010 0.000 1.176 184 G HN 0.266 nan 8.290 nan 0.000 0.601 185 L N 0.832 122.059 121.223 0.007 0.000 2.375 185 L HA 0.344 4.681 4.340 -0.004 0.000 0.271 185 L C -1.711 175.133 176.870 -0.044 0.000 1.107 185 L CA -1.700 53.132 54.840 -0.013 0.000 0.806 185 L CB 1.721 43.819 42.059 0.065 0.000 1.146 185 L HN 0.091 nan 8.230 nan 0.000 0.447 186 P HA -0.022 nan 4.420 nan 0.000 0.267 186 P C -0.810 176.482 177.300 -0.013 0.000 1.201 186 P CA -0.128 62.852 63.100 -0.201 0.000 0.775 186 P CB 0.350 31.655 31.700 -0.658 0.000 0.854 187 D N 0.864 121.286 120.400 0.038 0.000 2.423 187 D HA 0.149 4.787 4.640 -0.004 0.000 0.238 187 D C 1.498 177.910 176.300 0.187 0.000 1.142 187 D CA 1.621 55.676 54.000 0.093 0.000 0.884 187 D CB 0.526 41.365 40.800 0.065 0.000 1.199 187 D HN 0.683 nan 8.370 nan 0.000 0.438 188 G N 1.622 110.516 108.800 0.157 0.000 2.284 188 G HA2 -0.255 3.702 3.960 -0.004 0.000 0.261 188 G HA3 -0.255 3.702 3.960 -0.004 0.000 0.261 188 G C 0.457 175.455 174.900 0.164 0.000 0.997 188 G CA 0.266 45.452 45.100 0.144 0.000 0.621 188 G HN 0.714 nan 8.290 nan 0.000 0.534 189 H N 0.516 119.634 119.070 0.080 0.000 2.603 189 H HA 0.556 5.109 4.556 -0.004 0.000 0.370 189 H C 0.607 176.001 175.328 0.109 0.000 1.225 189 H CA 0.005 56.122 56.048 0.116 0.000 1.410 189 H CB 0.579 30.461 29.762 0.199 0.000 1.495 189 H HN 0.212 nan 8.280 nan 0.000 0.602 190 R N 0.781 121.402 120.500 0.202 0.000 2.725 190 R HA 0.434 4.771 4.340 -0.004 0.000 0.277 190 R C -1.301 175.088 176.300 0.147 0.000 0.987 190 R CA -0.873 55.315 56.100 0.147 0.000 0.901 190 R CB 2.482 32.843 30.300 0.103 0.000 1.207 190 R HN 0.361 nan 8.270 nan 0.000 0.463 191 V N -0.927 119.029 119.914 0.071 0.000 2.823 191 V HA 0.648 4.765 4.120 -0.004 0.000 0.312 191 V C -0.174 175.834 176.094 -0.144 0.000 1.072 191 V CA -0.862 61.386 62.300 -0.087 0.000 0.937 191 V CB 2.104 33.709 31.823 -0.362 0.000 1.013 191 V HN 0.693 nan 8.190 nan 0.000 0.430 192 T N 2.789 117.202 114.554 -0.234 0.000 2.829 192 T HA 0.650 4.997 4.350 -0.004 0.000 0.280 192 T C -0.820 173.656 174.700 -0.374 0.000 0.999 192 T CA -0.033 61.960 62.100 -0.179 0.000 0.983 192 T CB 1.028 69.809 68.868 -0.145 0.000 0.968 192 T HN 0.444 nan 8.240 nan 0.000 0.446 193 F N 2.598 122.569 119.950 0.035 0.000 2.368 193 F HA 0.254 4.778 4.527 -0.004 0.000 0.362 193 F C 0.826 176.552 175.800 -0.124 0.000 1.137 193 F CA -0.928 57.050 58.000 -0.037 0.000 1.161 193 F CB 0.462 39.467 39.000 0.007 0.000 1.265 193 F HN 0.408 nan 8.300 nan 0.000 0.530 194 D N 3.462 123.817 120.400 -0.075 0.000 2.352 194 D HA 0.154 4.791 4.640 -0.004 0.000 0.245 194 D C 0.696 176.854 176.300 -0.237 0.000 1.224 194 D CA 0.078 53.969 54.000 -0.181 0.000 0.879 194 D CB 1.333 41.978 40.800 -0.258 0.000 1.057 194 D HN 0.294 nan 8.370 nan 0.000 0.491 195 V N 3.682 123.400 119.914 -0.326 0.000 3.174 195 V HA -0.008 4.110 4.120 -0.004 0.000 0.254 195 V C 1.204 177.071 176.094 -0.379 0.000 1.120 195 V CA 0.091 62.073 62.300 -0.529 0.000 1.114 195 V CB -0.865 30.438 31.823 -0.867 0.000 0.756 195 V HN 0.784 nan 8.190 nan 0.000 0.467 196 N N 1.132 119.672 118.700 -0.267 0.000 2.725 196 N HA -0.248 4.489 4.740 -0.004 0.000 0.251 196 N C 0.626 176.048 175.510 -0.147 0.000 1.031 196 N CA 1.079 54.020 53.050 -0.182 0.000 0.720 196 N CB -0.601 37.789 38.487 -0.161 0.000 0.930 196 N HN 0.699 nan 8.380 nan 0.000 0.543 197 R N -3.709 116.703 120.500 -0.148 0.000 3.994 197 R HA -0.277 4.061 4.340 -0.004 0.000 0.403 197 R C 1.129 177.389 176.300 -0.067 0.000 1.126 197 R CA 1.302 57.349 56.100 -0.087 0.000 1.143 197 R CB -2.044 28.216 30.300 -0.067 0.000 1.695 197 R HN 0.403 nan 8.270 nan 0.000 0.555 198 A N -0.243 122.495 122.820 -0.137 0.000 2.168 198 A HA -0.038 4.279 4.320 -0.004 0.000 0.215 198 A C 0.347 177.986 177.584 0.091 0.000 1.152 198 A CA 0.513 52.505 52.037 -0.075 0.000 0.716 198 A CB -0.036 18.876 19.000 -0.147 0.000 0.794 198 A HN 0.324 nan 8.150 nan 0.000 0.465 199 W N 0.772 122.065 121.300 -0.012 0.000 2.449 199 W HA 0.460 5.117 4.660 -0.004 0.000 0.331 199 W C 0.588 177.101 176.519 -0.009 0.000 1.119 199 W CA -0.780 56.559 57.345 -0.010 0.000 1.240 199 W CB 0.554 30.010 29.460 -0.007 0.000 1.251 199 W HN 0.177 nan 8.180 nan 0.000 0.576 200 T N -0.321 114.357 114.554 0.206 0.000 2.849 200 T HA 0.223 4.571 4.350 -0.004 0.000 0.284 200 T C -1.811 172.945 174.700 0.093 0.000 1.004 200 T CA -1.330 60.833 62.100 0.105 0.000 1.021 200 T CB 1.599 70.495 68.868 0.046 0.000 1.013 200 T HN 0.041 nan 8.240 nan 0.000 0.527 201 P HA -0.015 nan 4.420 nan 0.000 0.216 201 P C 1.755 179.073 177.300 0.029 0.000 1.153 201 P CA 1.456 64.601 63.100 0.075 0.000 0.848 201 P CB -0.331 31.400 31.700 0.052 0.000 0.787 202 A N -0.583 122.232 122.820 -0.008 0.000 1.892 202 A HA -0.230 4.087 4.320 -0.004 0.000 0.218 202 A C 2.182 179.692 177.584 -0.123 0.000 1.188 202 A CA 1.829 53.840 52.037 -0.044 0.000 0.631 202 A CB -1.711 17.264 19.000 -0.042 0.000 0.822 202 A HN 0.130 nan 8.150 nan 0.000 0.447 203 I N -0.515 119.953 120.570 -0.170 0.000 2.252 203 I HA -0.216 3.951 4.170 -0.004 0.000 0.245 203 I C 2.963 178.704 176.117 -0.627 0.000 1.102 203 I CA 0.883 61.965 61.300 -0.362 0.000 1.385 203 I CB -0.325 37.454 38.000 -0.369 0.000 1.064 203 I HN 0.353 nan 8.210 nan 0.000 0.414 204 A N 0.444 122.978 122.820 -0.477 0.000 1.892 204 A HA -0.192 4.125 4.320 -0.004 0.000 0.218 204 A C 2.451 179.859 177.584 -0.294 0.000 1.188 204 A CA 2.116 53.903 52.037 -0.418 0.000 0.631 204 A CB -1.072 17.983 19.000 0.093 0.000 0.822 204 A HN 0.237 nan 8.150 nan 0.000 0.447 205 V N -0.111 119.706 119.914 -0.162 0.000 2.307 205 V HA -0.263 3.854 4.120 -0.004 0.000 0.245 205 V C 2.551 178.547 176.094 -0.162 0.000 1.045 205 V CA 2.337 64.567 62.300 -0.117 0.000 1.024 205 V CB -0.704 31.086 31.823 -0.054 0.000 0.651 205 V HN 0.802 nan 8.190 nan 0.000 0.449 206 E N 0.090 120.172 120.200 -0.196 0.000 2.038 206 E HA -0.244 4.103 4.350 -0.004 0.000 0.195 206 E C 2.288 178.749 176.600 -0.233 0.000 1.000 206 E CA 2.127 58.413 56.400 -0.191 0.000 0.803 206 E CB -0.164 29.425 29.700 -0.185 0.000 0.750 206 E HN 0.449 nan 8.360 nan 0.000 0.448 207 V N 0.453 120.145 119.914 -0.370 0.000 2.307 207 V HA -0.200 3.917 4.120 -0.004 0.000 0.245 207 V C 2.219 178.173 176.094 -0.234 0.000 1.045 207 V CA 1.673 63.762 62.300 -0.352 0.000 1.024 207 V CB -0.446 31.082 31.823 -0.490 0.000 0.651 207 V HN 0.330 nan 8.190 nan 0.000 0.449 208 L N 0.753 121.843 121.223 -0.222 0.000 2.141 208 L HA -0.050 4.287 4.340 -0.004 0.000 0.209 208 L C 2.108 178.927 176.870 -0.084 0.000 1.094 208 L CA 1.559 56.339 54.840 -0.101 0.000 0.763 208 L CB -0.765 41.274 42.059 -0.034 0.000 0.908 208 L HN 0.393 nan 8.230 nan 0.000 0.437 209 N N -0.940 117.701 118.700 -0.099 0.000 2.383 209 N HA -0.020 4.718 4.740 -0.004 0.000 0.192 209 N C 1.359 176.825 175.510 -0.074 0.000 1.141 209 N CA 0.363 53.367 53.050 -0.076 0.000 0.851 209 N CB 0.491 38.934 38.487 -0.073 0.000 0.976 209 N HN 0.096 nan 8.380 nan 0.000 0.465 210 S N -0.682 114.965 115.700 -0.088 0.000 2.524 210 S HA 0.201 4.668 4.470 -0.004 0.000 0.215 210 S C 0.480 175.041 174.600 -0.065 0.000 0.986 210 S CA -0.245 57.909 58.200 -0.077 0.000 0.911 210 S CB 1.193 64.337 63.200 -0.093 0.000 0.805 210 S HN -0.051 nan 8.310 nan 0.000 0.501 211 V N 1.359 121.234 119.914 -0.065 0.000 2.769 211 V HA 0.403 4.520 4.120 -0.004 0.000 0.312 211 V C 0.367 176.438 176.094 -0.039 0.000 1.061 211 V CA -0.763 61.502 62.300 -0.059 0.000 0.931 211 V CB 2.055 33.828 31.823 -0.083 0.000 1.010 211 V HN 0.123 nan 8.190 nan 0.000 0.433 212 R N 2.575 123.060 120.500 -0.026 0.000 2.254 212 R HA 0.341 4.678 4.340 -0.004 0.000 0.195 212 R C 0.852 177.152 176.300 0.001 0.000 0.957 212 R CA 0.548 56.641 56.100 -0.013 0.000 1.024 212 R CB 0.251 30.547 30.300 -0.007 0.000 0.952 212 R HN 0.748 nan 8.270 nan 0.000 0.484 213 A N 1.623 124.446 122.820 0.006 0.000 2.511 213 A HA 0.051 4.368 4.320 -0.004 0.000 0.242 213 A C 0.387 178.001 177.584 0.049 0.000 1.069 213 A CA 0.239 52.303 52.037 0.045 0.000 0.763 213 A CB 0.290 19.323 19.000 0.054 0.000 1.001 213 A HN 0.166 nan 8.150 nan 0.000 0.498 214 R N 1.816 122.352 120.500 0.061 0.000 2.652 214 R HA 0.145 4.482 4.340 -0.004 0.000 0.372 214 R C -1.003 175.318 176.300 0.036 0.000 1.104 214 R CA -0.211 55.905 56.100 0.027 0.000 1.072 214 R CB -0.401 29.889 30.300 -0.016 0.000 1.367 214 R HN 0.827 nan 8.270 nan 0.000 0.577 215 D N -0.256 120.237 120.400 0.154 0.000 2.360 215 D HA 0.025 4.663 4.640 -0.004 0.000 0.242 215 D C -0.096 176.339 176.300 0.226 0.000 1.184 215 D CA 0.010 54.128 54.000 0.196 0.000 0.930 215 D CB 0.491 41.499 40.800 0.346 0.000 1.161 215 D HN -0.034 nan 8.370 nan 0.000 0.447 216 W N 0.408 121.784 121.300 0.127 0.000 2.314 216 W HA 0.101 4.759 4.660 -0.004 0.000 0.339 216 W C -0.186 176.431 176.519 0.164 0.000 1.293 216 W CA -0.329 57.080 57.345 0.106 0.000 1.288 216 W CB 0.251 29.749 29.460 0.063 0.000 1.186 216 W HN 0.053 nan 8.180 nan 0.000 0.566 217 I N 3.054 123.885 120.570 0.434 0.000 2.378 217 I HA 0.160 4.327 4.170 -0.004 0.000 0.291 217 I C -0.064 176.171 176.117 0.197 0.000 0.992 217 I CA -1.404 60.075 61.300 0.298 0.000 1.154 217 I CB 1.083 39.235 38.000 0.254 0.000 1.315 217 I HN 0.459 nan 8.210 nan 0.000 0.448 218 E N 5.533 125.772 120.200 0.064 0.000 2.156 218 E HA 0.189 4.536 4.350 -0.004 0.000 0.279 218 E C -0.353 176.195 176.600 -0.088 0.000 0.965 218 E CA -0.625 55.751 56.400 -0.041 0.000 0.789 218 E CB 0.826 30.445 29.700 -0.136 0.000 1.098 218 E HN 0.461 nan 8.360 nan 0.000 0.397 219 Q N 4.028 123.784 119.800 -0.073 0.000 2.429 219 Q HA -0.161 4.176 4.340 -0.004 0.000 0.365 219 Q C -2.003 173.944 176.000 -0.087 0.000 1.384 219 Q CA 0.563 56.315 55.803 -0.085 0.000 1.089 219 Q CB -0.299 28.365 28.738 -0.123 0.000 1.264 219 Q HN 0.521 nan 8.270 nan 0.000 0.342 220 P HA -0.105 nan 4.420 nan 0.000 0.217 220 P C 0.072 177.409 177.300 0.060 0.000 1.150 220 P CA 1.121 64.236 63.100 0.025 0.000 0.832 220 P CB 0.292 32.166 31.700 0.290 0.000 0.787 221 C N -1.898 117.439 119.300 0.061 0.000 2.822 221 C HA 0.364 4.822 4.460 -0.004 0.000 0.341 221 C C 2.092 177.087 174.990 0.008 0.000 1.301 221 C CA -0.356 58.700 59.018 0.064 0.000 1.706 221 C CB 0.999 28.792 27.740 0.088 0.000 2.178 221 C HN 0.118 nan 8.230 nan 0.000 0.481 222 Q N 0.305 120.110 119.800 0.009 0.000 2.123 222 Q HA -0.034 4.303 4.340 -0.004 0.000 0.199 222 Q C 0.901 176.890 176.000 -0.018 0.000 0.966 222 Q CA 1.472 57.267 55.803 -0.012 0.000 0.845 222 Q CB 0.176 28.911 28.738 -0.004 0.000 0.907 222 Q HN 0.961 nan 8.270 nan 0.000 0.439 223 T N -3.420 111.130 114.554 -0.006 0.000 2.930 223 T HA 0.266 4.613 4.350 -0.004 0.000 0.290 223 T C 0.660 175.354 174.700 -0.010 0.000 1.052 223 T CA -0.782 61.314 62.100 -0.008 0.000 1.017 223 T CB 1.124 69.993 68.868 0.001 0.000 1.137 223 T HN 0.099 nan 8.240 nan 0.000 0.511 224 L N 0.863 122.077 121.223 -0.016 0.000 2.046 224 L HA 0.085 4.422 4.340 -0.004 0.000 0.208 224 L C 2.019 178.895 176.870 0.011 0.000 1.077 224 L CA 2.213 57.044 54.840 -0.015 0.000 0.747 224 L CB -1.137 40.909 42.059 -0.022 0.000 0.896 224 L HN 0.958 nan 8.230 nan 0.000 0.432 225 D N -1.476 118.934 120.400 0.016 0.000 2.144 225 D HA -0.218 4.419 4.640 -0.004 0.000 0.199 225 D C 2.147 178.476 176.300 0.048 0.000 0.984 225 D CA 1.229 55.246 54.000 0.028 0.000 0.834 225 D CB 0.074 40.884 40.800 0.016 0.000 0.955 225 D HN 0.525 nan 8.370 nan 0.000 0.465 226 Q N -0.783 119.037 119.800 0.035 0.000 2.079 226 Q HA -0.102 4.235 4.340 -0.004 0.000 0.200 226 Q C 2.381 178.441 176.000 0.101 0.000 0.974 226 Q CA 1.248 57.082 55.803 0.053 0.000 0.840 226 Q CB -0.071 28.684 28.738 0.029 0.000 0.898 226 Q HN 0.410 nan 8.270 nan 0.000 0.430 227 C N 0.120 119.461 119.300 0.068 0.000 2.435 227 C HA -0.058 4.399 4.460 -0.004 0.000 0.279 227 C C 2.767 177.799 174.990 0.072 0.000 1.321 227 C CA 0.717 59.777 59.018 0.069 0.000 1.752 227 C CB -1.051 26.707 27.740 0.030 0.000 1.959 227 C HN 0.595 nan 8.230 nan 0.000 0.500 228 A N -0.306 122.554 122.820 0.067 0.000 1.968 228 A HA -0.168 4.149 4.320 -0.004 0.000 0.217 228 A C 1.831 179.453 177.584 0.063 0.000 1.169 228 A CA 1.868 53.937 52.037 0.053 0.000 0.638 228 A CB -0.888 18.138 19.000 0.043 0.000 0.812 228 A HN 0.763 nan 8.150 nan 0.000 0.446 229 H N -0.300 118.774 119.070 0.007 0.000 2.321 229 H HA -0.090 4.464 4.556 -0.004 0.000 0.300 229 H C 1.830 177.162 175.328 0.007 0.000 1.087 229 H CA 2.201 58.251 56.048 0.004 0.000 1.319 229 H CB -0.128 29.636 29.762 0.004 0.000 1.379 229 H HN 0.112 nan 8.280 nan 0.000 0.501 230 V N 0.922 120.888 119.914 0.086 0.000 2.295 230 V HA -0.276 3.842 4.120 -0.004 0.000 0.246 230 V C 2.780 178.861 176.094 -0.022 0.000 1.049 230 V CA 1.687 64.007 62.300 0.032 0.000 1.024 230 V CB -1.356 30.534 31.823 0.110 0.000 0.648 230 V HN 0.722 nan 8.190 nan 0.000 0.447 231 A N -0.000 122.823 122.820 0.006 0.000 1.927 231 A HA -0.306 4.011 4.320 -0.004 0.000 0.220 231 A C 2.338 179.899 177.584 -0.039 0.000 1.185 231 A CA 2.269 54.305 52.037 -0.001 0.000 0.639 231 A CB -0.581 18.429 19.000 0.017 0.000 0.820 231 A HN 0.551 nan 8.150 nan 0.000 0.451 232 R N -1.174 119.280 120.500 -0.078 0.000 2.189 232 R HA 0.017 4.355 4.340 -0.004 0.000 0.218 232 R C 1.715 177.948 176.300 -0.111 0.000 1.074 232 R CA 1.062 57.105 56.100 -0.095 0.000 0.991 232 R CB -0.093 30.134 30.300 -0.121 0.000 0.883 232 R HN 0.488 nan 8.270 nan 0.000 0.457 233 R N 0.253 120.673 120.500 -0.134 0.000 2.362 233 R HA 0.113 4.450 4.340 -0.004 0.000 0.227 233 R C 0.434 176.689 176.300 -0.075 0.000 0.905 233 R CA 0.143 56.170 56.100 -0.120 0.000 1.067 233 R CB 0.952 31.151 30.300 -0.167 0.000 1.078 233 R HN 0.029 nan 8.270 nan 0.000 0.516 234 V N -4.598 115.284 119.914 -0.054 0.000 3.155 234 V HA 0.783 4.900 4.120 -0.004 0.000 0.313 234 V C 0.123 176.199 176.094 -0.029 0.000 1.162 234 V CA -0.704 61.574 62.300 -0.036 0.000 1.048 234 V CB 1.891 33.705 31.823 -0.015 0.000 1.092 234 V HN -0.105 nan 8.190 nan 0.000 0.447 235 A N 0.605 123.409 122.820 -0.025 0.000 2.382 235 A HA 0.472 4.790 4.320 -0.004 0.000 0.228 235 A C 0.632 178.195 177.584 -0.035 0.000 1.217 235 A CA -0.145 51.874 52.037 -0.031 0.000 0.923 235 A CB -0.750 18.231 19.000 -0.031 0.000 0.979 235 A HN 0.887 nan 8.150 nan 0.000 0.515 236 N N 1.190 119.879 118.700 -0.018 0.000 2.515 236 N HA 0.448 5.185 4.740 -0.004 0.000 0.279 236 N C -2.999 172.478 175.510 -0.056 0.000 1.164 236 N CA -1.339 51.697 53.050 -0.024 0.000 0.982 236 N CB 0.365 38.880 38.487 0.047 0.000 1.170 236 N HN 0.006 nan 8.380 nan 0.000 0.474 237 P HA 0.129 nan 4.420 nan 0.000 0.267 237 P C -0.664 176.659 177.300 0.038 0.000 1.205 237 P CA 0.240 63.157 63.100 -0.306 0.000 0.765 237 P CB 0.509 31.607 31.700 -1.003 0.000 0.828 238 I N 3.905 124.588 120.570 0.188 0.000 2.404 238 I HA 0.425 4.593 4.170 -0.004 0.000 0.293 238 I C 0.053 176.408 176.117 0.396 0.000 0.992 238 I CA -0.872 60.592 61.300 0.273 0.000 1.149 238 I CB 1.450 39.527 38.000 0.128 0.000 1.315 238 I HN 0.331 nan 8.210 nan 0.000 0.446 239 M N 7.701 127.458 119.600 0.261 0.000 2.227 239 M HA 0.526 5.003 4.480 -0.004 0.000 0.335 239 M C -1.544 174.692 176.300 -0.106 0.000 1.053 239 M CA -0.163 55.108 55.300 -0.047 0.000 0.973 239 M CB 1.133 33.576 32.600 -0.262 0.000 1.623 239 M HN 0.383 nan 8.290 nan 0.000 0.434 240 L N 3.591 124.696 121.223 -0.197 0.000 2.344 240 L HA 0.574 4.912 4.340 -0.004 0.000 0.272 240 L C -0.090 176.652 176.870 -0.213 0.000 1.035 240 L CA -0.372 54.348 54.840 -0.200 0.000 0.807 240 L CB 1.604 43.521 42.059 -0.236 0.000 1.237 240 L HN 0.821 nan 8.230 nan 0.000 0.442 241 D N -0.521 119.762 120.400 -0.196 0.000 2.467 241 D HA -0.022 4.615 4.640 -0.004 0.000 0.111 241 D C 1.233 177.407 176.300 -0.209 0.000 1.441 241 D CA 0.075 53.970 54.000 -0.175 0.000 1.444 241 D CB 0.142 40.847 40.800 -0.157 0.000 2.206 241 D HN 0.435 nan 8.370 nan 0.000 0.202 242 E N 0.065 120.133 120.200 -0.219 0.000 2.153 242 E HA -0.050 4.297 4.350 -0.004 0.000 0.194 242 E C 2.105 178.472 176.600 -0.387 0.000 0.988 242 E CA 1.361 57.587 56.400 -0.291 0.000 0.811 242 E CB -0.376 29.150 29.700 -0.291 0.000 0.746 242 E HN 0.537 nan 8.360 nan 0.000 0.466 243 C N -0.273 118.836 119.300 -0.318 0.000 2.539 243 C HA 0.207 4.665 4.460 -0.004 0.000 0.271 243 C C 0.775 175.476 174.990 -0.482 0.000 1.412 243 C CA -0.689 58.130 59.018 -0.331 0.000 1.729 243 C CB -1.452 26.191 27.740 -0.162 0.000 1.739 243 C HN 0.081 nan 8.230 nan 0.000 0.570 244 L N 2.072 122.991 121.223 -0.506 0.000 2.315 244 L HA 0.316 4.653 4.340 -0.004 0.000 0.278 244 L C 1.183 177.872 176.870 -0.302 0.000 1.088 244 L CA -0.080 54.496 54.840 -0.440 0.000 0.899 244 L CB -0.172 41.558 42.059 -0.548 0.000 1.277 244 L HN 0.351 nan 8.230 nan 0.000 0.431 245 H N 1.710 120.800 119.070 0.033 0.000 2.562 245 H HA 0.176 4.729 4.556 -0.004 0.000 0.267 245 H C 0.227 175.644 175.328 0.149 0.000 0.959 245 H CA 0.356 56.452 56.048 0.081 0.000 1.204 245 H CB 0.849 30.635 29.762 0.041 0.000 1.430 245 H HN 0.676 nan 8.280 nan 0.000 0.545 246 E N -1.388 118.987 120.200 0.292 0.000 2.439 246 E HA 0.021 4.369 4.350 -0.004 0.000 0.279 246 E C -0.285 176.536 176.600 0.368 0.000 1.077 246 E CA -0.768 55.803 56.400 0.286 0.000 0.849 246 E CB 0.408 30.237 29.700 0.215 0.000 1.408 246 E HN -0.097 nan 8.360 nan 0.000 0.457 247 F N 2.062 122.088 119.950 0.126 0.000 2.171 247 F HA -0.185 4.339 4.527 -0.004 0.000 0.300 247 F C 2.284 178.137 175.800 0.088 0.000 1.090 247 F CA 2.454 60.480 58.000 0.043 0.000 1.293 247 F CB -0.028 38.922 39.000 -0.083 0.000 1.013 247 F HN 0.549 nan 8.300 nan 0.000 0.486 248 S N -0.573 115.175 115.700 0.080 0.000 2.419 248 S HA -0.209 4.258 4.470 -0.004 0.000 0.233 248 S C 1.659 176.236 174.600 -0.039 0.000 1.016 248 S CA 1.395 59.576 58.200 -0.030 0.000 0.974 248 S CB -0.726 62.511 63.200 0.062 0.000 0.786 248 S HN 0.461 nan 8.310 nan 0.000 0.492 249 D N 1.333 121.752 120.400 0.031 0.000 2.183 249 D HA -0.044 4.594 4.640 -0.004 0.000 0.203 249 D C 1.687 177.945 176.300 -0.071 0.000 0.969 249 D CA 1.238 55.226 54.000 -0.020 0.000 0.842 249 D CB -0.441 40.328 40.800 -0.052 0.000 0.957 249 D HN 0.579 nan 8.370 nan 0.000 0.484 250 H N 0.163 119.173 119.070 -0.101 0.000 2.357 250 H HA -0.011 4.542 4.556 -0.004 0.000 0.301 250 H C 1.928 177.260 175.328 0.007 0.000 1.082 250 H CA 0.489 56.556 56.048 0.032 0.000 1.342 250 H CB -0.224 29.502 29.762 -0.060 0.000 1.389 250 H HN -0.003 nan 8.280 nan 0.000 0.511 251 L N 0.482 121.521 121.223 -0.305 0.000 2.046 251 L HA -0.128 4.209 4.340 -0.004 0.000 0.208 251 L C 2.383 179.355 176.870 0.170 0.000 1.077 251 L CA 1.716 56.436 54.840 -0.201 0.000 0.747 251 L CB -0.896 40.918 42.059 -0.409 0.000 0.896 251 L HN 0.310 nan 8.230 nan 0.000 0.432 252 A N -0.946 121.926 122.820 0.087 0.000 1.877 252 A HA -0.126 4.191 4.320 -0.004 0.000 0.216 252 A C 2.454 180.130 177.584 0.153 0.000 1.186 252 A CA 1.783 53.884 52.037 0.106 0.000 0.620 252 A CB -1.120 17.910 19.000 0.050 0.000 0.822 252 A HN 0.494 nan 8.150 nan 0.000 0.443 253 A N -1.305 121.626 122.820 0.184 0.000 1.883 253 A HA -0.214 4.104 4.320 -0.004 0.000 0.217 253 A C 2.013 179.823 177.584 0.376 0.000 1.186 253 A CA 1.763 53.932 52.037 0.221 0.000 0.624 253 A CB -1.056 18.050 19.000 0.177 0.000 0.822 253 A HN 0.915 nan 8.150 nan 0.000 0.444 254 W N 1.878 123.426 121.300 0.413 0.000 2.335 254 W HA -0.261 4.397 4.660 -0.004 0.000 0.311 254 W C 2.617 179.259 176.519 0.207 0.000 1.213 254 W CA 2.876 60.456 57.345 0.391 0.000 1.274 254 W CB -0.386 29.291 29.460 0.362 0.000 1.148 254 W HN 0.414 nan 8.180 nan 0.000 0.498 255 S N 0.143 115.824 115.700 -0.032 0.000 2.428 255 S HA -0.067 4.400 4.470 -0.004 0.000 0.230 255 S C 1.610 176.049 174.600 -0.270 0.000 1.014 255 S CA 0.905 58.864 58.200 -0.402 0.000 0.957 255 S CB -0.453 62.725 63.200 -0.038 0.000 0.784 255 S HN 0.386 nan 8.310 nan 0.000 0.499 256 R N 1.135 121.573 120.500 -0.102 0.000 2.313 256 R HA 0.290 4.627 4.340 -0.004 0.000 0.199 256 R C 1.325 177.575 176.300 -0.083 0.000 0.958 256 R CA 0.375 56.431 56.100 -0.073 0.000 1.047 256 R CB -0.521 29.773 30.300 -0.009 0.000 0.955 256 R HN 0.529 nan 8.270 nan 0.000 0.481 257 G N 0.947 109.669 108.800 -0.131 0.000 2.356 257 G HA2 -0.346 3.612 3.960 -0.004 0.000 0.296 257 G HA3 -0.346 3.612 3.960 -0.004 0.000 0.296 257 G C 0.770 175.684 174.900 0.025 0.000 1.022 257 G CA 0.394 45.461 45.100 -0.055 0.000 0.961 257 G HN 0.468 nan 8.290 nan 0.000 0.510 258 A N -1.488 121.368 122.820 0.060 0.000 2.167 258 A HA 0.478 4.795 4.320 -0.004 0.000 0.214 258 A C 1.599 179.215 177.584 0.054 0.000 1.151 258 A CA 1.829 53.895 52.037 0.049 0.000 0.735 258 A CB -0.300 18.725 19.000 0.041 0.000 0.802 258 A HN 2.181 nan 8.150 nan 0.000 0.467 259 C N -4.169 115.186 119.300 0.091 0.000 3.312 259 C HA 0.782 5.239 4.460 -0.004 0.000 0.332 259 C C -0.156 174.911 174.990 0.128 0.000 1.340 259 C CA -0.573 58.480 59.018 0.057 0.000 1.265 259 C CB 1.016 28.699 27.740 -0.096 0.000 1.563 259 C HN 0.202 nan 8.230 nan 0.000 0.471 260 E N 0.248 120.548 120.200 0.166 0.000 2.526 260 E HA 0.514 4.861 4.350 -0.004 0.000 0.208 260 E C 0.603 177.373 176.600 0.283 0.000 0.997 260 E CA 0.835 57.394 56.400 0.265 0.000 0.961 260 E CB 1.318 31.119 29.700 0.168 0.000 1.030 260 E HN 1.159 nan 8.360 nan 0.000 0.483 261 G N -0.277 108.506 108.800 -0.028 0.000 2.623 261 G HA2 0.552 4.509 3.960 -0.004 0.000 0.290 261 G HA3 0.552 4.509 3.960 -0.004 0.000 0.290 261 G C -1.395 173.164 174.900 -0.567 0.000 1.437 261 G CA -0.295 44.622 45.100 -0.304 0.000 0.798 261 G HN 0.243 nan 8.290 nan 0.000 0.488 262 V N -2.581 117.051 119.914 -0.470 0.000 3.114 262 V HA 0.810 4.927 4.120 -0.004 0.000 0.308 262 V C -0.746 175.254 176.094 -0.156 0.000 1.168 262 V CA -1.447 60.646 62.300 -0.346 0.000 1.015 262 V CB 1.948 33.565 31.823 -0.344 0.000 1.050 262 V HN 0.789 nan 8.190 nan 0.000 0.433 263 K N 2.564 122.906 120.400 -0.096 0.000 2.130 263 K HA 0.723 5.041 4.320 -0.004 0.000 0.268 263 K C -1.095 175.537 176.600 0.053 0.000 0.983 263 K CA -0.494 55.790 56.287 -0.004 0.000 0.893 263 K CB 1.990 34.469 32.500 -0.035 0.000 1.066 263 K HN 0.674 nan 8.250 nan 0.000 0.450 264 I N 2.820 123.444 120.570 0.090 0.000 2.382 264 I HA 0.260 4.427 4.170 -0.004 0.000 0.286 264 I C -0.524 175.658 176.117 0.108 0.000 1.002 264 I CA -0.680 60.692 61.300 0.121 0.000 1.135 264 I CB 1.323 39.399 38.000 0.126 0.000 1.288 264 I HN 0.325 nan 8.210 nan 0.000 0.448 265 K N 7.232 127.702 120.400 0.116 0.000 2.535 265 K HA 0.342 4.659 4.320 -0.004 0.000 0.253 265 K C -2.124 174.559 176.600 0.138 0.000 0.953 265 K CA -1.578 54.786 56.287 0.130 0.000 0.863 265 K CB 2.243 34.824 32.500 0.136 0.000 1.111 265 K HN 0.146 nan 8.250 nan 0.000 0.431 266 P HA -0.289 nan 4.420 nan 0.000 0.218 266 P C 0.838 178.232 177.300 0.156 0.000 1.154 266 P CA 1.349 64.523 63.100 0.123 0.000 0.872 266 P CB 0.198 31.959 31.700 0.103 0.000 0.790 267 N N -0.916 117.895 118.700 0.186 0.000 2.309 267 N HA -0.164 4.574 4.740 -0.004 0.000 0.182 267 N C 1.938 177.587 175.510 0.233 0.000 1.018 267 N CA 0.614 53.798 53.050 0.223 0.000 0.876 267 N CB -0.056 38.586 38.487 0.259 0.000 0.972 267 N HN 0.053 nan 8.380 nan 0.000 0.434 268 R N 0.661 121.281 120.500 0.200 0.000 2.093 268 R HA -0.030 4.307 4.340 -0.004 0.000 0.224 268 R C 1.863 178.283 176.300 0.200 0.000 1.101 268 R CA 1.153 57.367 56.100 0.190 0.000 0.979 268 R CB 0.166 30.540 30.300 0.124 0.000 0.877 268 R HN 0.169 nan 8.270 nan 0.000 0.441 269 V N -3.665 116.356 119.914 0.177 0.000 3.578 269 V HA 0.480 4.597 4.120 -0.004 0.000 0.290 269 V C 0.719 176.902 176.094 0.148 0.000 1.376 269 V CA 0.397 62.801 62.300 0.173 0.000 1.083 269 V CB 0.592 32.510 31.823 0.158 0.000 0.911 269 V HN 0.386 nan 8.190 nan 0.000 0.433 270 G N -1.230 107.658 108.800 0.147 0.000 2.138 270 G HA2 0.357 4.315 3.960 -0.004 0.000 0.193 270 G HA3 0.357 4.315 3.960 -0.004 0.000 0.193 270 G C 0.905 175.875 174.900 0.117 0.000 0.998 270 G CA -0.008 45.167 45.100 0.125 0.000 0.668 270 G HN 2.299 nan 8.290 nan 0.000 0.516 271 G N -1.950 106.921 108.800 0.118 0.000 2.373 271 G HA2 0.244 4.202 3.960 -0.004 0.000 0.634 271 G HA3 0.244 4.202 3.960 -0.004 0.000 0.634 271 G C 0.244 175.187 174.900 0.073 0.000 1.267 271 G CA 0.002 45.168 45.100 0.110 0.000 1.008 271 G HN 1.045 nan 8.290 nan 0.000 0.497 272 L N 0.484 121.722 121.223 0.025 0.000 2.131 272 L HA 0.169 4.506 4.340 -0.004 0.000 0.206 272 L C 3.176 180.035 176.870 -0.017 0.000 1.087 272 L CA 2.957 57.697 54.840 -0.166 0.000 0.767 272 L CB -1.290 40.358 42.059 -0.686 0.000 0.917 272 L HN 0.778 nan 8.230 nan 0.000 0.441 273 T N -0.690 114.044 114.554 0.299 0.000 2.708 273 T HA -0.136 4.211 4.350 -0.004 0.000 0.266 273 T C 2.021 176.815 174.700 0.156 0.000 1.037 273 T CA 0.988 63.314 62.100 0.376 0.000 1.146 273 T CB -0.018 69.069 68.868 0.365 0.000 0.865 273 T HN 0.184 nan 8.240 nan 0.000 0.435 274 R N 1.162 121.730 120.500 0.113 0.000 2.115 274 R HA 0.157 4.494 4.340 -0.004 0.000 0.230 274 R C 2.670 178.999 176.300 0.048 0.000 1.111 274 R CA 1.155 57.293 56.100 0.063 0.000 0.976 274 R CB -0.848 29.498 30.300 0.077 0.000 0.870 274 R HN 0.419 nan 8.270 nan 0.000 0.445 275 A N 1.271 124.121 122.820 0.050 0.000 1.969 275 A HA -0.124 4.194 4.320 -0.004 0.000 0.218 275 A C 2.245 179.848 177.584 0.032 0.000 1.169 275 A CA 0.905 52.965 52.037 0.040 0.000 0.635 275 A CB -0.364 18.654 19.000 0.030 0.000 0.810 275 A HN 0.080 nan 8.150 nan 0.000 0.445 276 R N -0.128 120.382 120.500 0.018 0.000 2.073 276 R HA -0.137 4.200 4.340 -0.004 0.000 0.229 276 R C 2.311 178.638 176.300 0.045 0.000 1.120 276 R CA 1.779 57.893 56.100 0.022 0.000 0.967 276 R CB -0.467 29.846 30.300 0.021 0.000 0.862 276 R HN 0.765 nan 8.270 nan 0.000 0.436 277 Q N 0.343 120.156 119.800 0.022 0.000 2.084 277 Q HA -0.143 4.194 4.340 -0.004 0.000 0.202 277 Q C 2.126 178.167 176.000 0.068 0.000 0.978 277 Q CA 1.662 57.447 55.803 -0.030 0.000 0.844 277 Q CB -0.098 28.528 28.738 -0.186 0.000 0.898 277 Q HN 0.403 nan 8.270 nan 0.000 0.426 278 I N 0.456 121.087 120.570 0.103 0.000 2.315 278 I HA -0.261 3.906 4.170 -0.004 0.000 0.248 278 I C 2.797 179.070 176.117 0.259 0.000 1.117 278 I CA 0.775 62.188 61.300 0.189 0.000 1.404 278 I CB -0.387 37.575 38.000 -0.064 0.000 1.071 278 I HN 0.199 nan 8.210 nan 0.000 0.419 279 R N 1.265 121.867 120.500 0.169 0.000 2.080 279 R HA -0.206 4.131 4.340 -0.004 0.000 0.236 279 R C 1.678 178.066 176.300 0.145 0.000 1.137 279 R CA 2.192 58.387 56.100 0.158 0.000 0.943 279 R CB -0.594 29.763 30.300 0.095 0.000 0.846 279 R HN 0.285 nan 8.270 nan 0.000 0.431 280 D N -0.197 120.274 120.400 0.118 0.000 2.144 280 D HA -0.157 4.480 4.640 -0.004 0.000 0.199 280 D C 1.642 177.989 176.300 0.079 0.000 0.984 280 D CA 0.942 54.991 54.000 0.081 0.000 0.834 280 D CB -0.458 40.380 40.800 0.063 0.000 0.955 280 D HN 0.232 nan 8.370 nan 0.000 0.465 281 F N 1.337 121.291 119.950 0.006 0.000 2.126 281 F HA -0.112 4.412 4.527 -0.004 0.000 0.299 281 F C 2.259 177.936 175.800 -0.205 0.000 1.096 281 F CA 1.940 59.900 58.000 -0.067 0.000 1.255 281 F CB -0.322 38.735 39.000 0.094 0.000 0.997 281 F HN -0.018 nan 8.300 nan 0.000 0.479 282 G N -0.015 108.784 108.800 -0.001 0.000 2.440 282 G HA2 -0.236 3.722 3.960 -0.004 0.000 0.218 282 G HA3 -0.236 3.722 3.960 -0.004 0.000 0.218 282 G C 1.701 176.529 174.900 -0.120 0.000 1.154 282 G CA 1.216 46.299 45.100 -0.029 0.000 0.767 282 G HN 0.347 nan 8.290 nan 0.000 0.552 283 V N 1.250 121.132 119.914 -0.053 0.000 2.287 283 V HA -0.220 3.898 4.120 -0.004 0.000 0.248 283 V C 3.119 179.115 176.094 -0.163 0.000 1.053 283 V CA 2.319 64.584 62.300 -0.059 0.000 1.027 283 V CB -0.793 31.019 31.823 -0.018 0.000 0.646 283 V HN 0.379 nan 8.190 nan 0.000 0.447 284 S N 0.430 115.972 115.700 -0.264 0.000 2.383 284 S HA -0.155 4.312 4.470 -0.004 0.000 0.229 284 S C 1.761 176.111 174.600 -0.416 0.000 1.030 284 S CA 1.763 59.769 58.200 -0.324 0.000 1.002 284 S CB -0.266 62.707 63.200 -0.378 0.000 0.829 284 S HN 0.667 nan 8.310 nan 0.000 0.467 285 V N -1.926 117.607 119.914 -0.636 0.000 3.621 285 V HA 0.629 4.746 4.120 -0.004 0.000 0.285 285 V C 1.110 177.041 176.094 -0.272 0.000 1.346 285 V CA 0.295 62.247 62.300 -0.580 0.000 1.104 285 V CB -0.636 30.540 31.823 -1.078 0.000 0.913 285 V HN 0.490 nan 8.190 nan 0.000 0.432 286 G N -1.048 107.653 108.800 -0.165 0.000 2.149 286 G HA2 -0.250 3.708 3.960 -0.004 0.000 0.235 286 G HA3 -0.250 3.708 3.960 -0.004 0.000 0.235 286 G C -0.316 174.718 174.900 0.224 0.000 1.018 286 G CA 0.075 45.194 45.100 0.032 0.000 0.728 286 G HN 0.494 nan 8.290 nan 0.000 0.508 287 W N 0.737 122.070 121.300 0.056 0.000 2.150 287 W HA 0.553 5.210 4.660 -0.005 0.000 0.341 287 W C 0.909 177.485 176.519 0.094 0.000 1.276 287 W CA -0.584 56.827 57.345 0.110 0.000 1.238 287 W CB 0.369 29.896 29.460 0.112 0.000 1.128 287 W HN 0.251 nan 8.180 nan 0.000 0.581 288 Q N 1.874 121.871 119.800 0.328 0.000 2.245 288 Q HA 0.617 4.954 4.340 -0.004 0.000 0.256 288 Q C -0.554 175.422 176.000 -0.039 0.000 0.942 288 Q CA -0.646 55.245 55.803 0.145 0.000 0.896 288 Q CB 2.052 30.932 28.738 0.236 0.000 1.272 288 Q HN 0.306 nan 8.270 nan 0.000 0.442 289 M N 1.559 121.084 119.600 -0.125 0.000 2.446 289 M HA 0.362 4.839 4.480 -0.004 0.000 0.294 289 M C -1.284 174.848 176.300 -0.280 0.000 1.158 289 M CA -0.653 54.556 55.300 -0.153 0.000 0.899 289 M CB 2.344 34.966 32.600 0.036 0.000 1.687 289 M HN 0.497 nan 8.290 nan 0.000 0.455 290 H N 3.644 122.643 119.070 -0.117 0.000 2.488 290 H HA 0.563 5.116 4.556 -0.005 0.000 0.322 290 H C -1.052 174.260 175.328 -0.026 0.000 1.078 290 H CA -0.130 55.866 56.048 -0.087 0.000 1.260 290 H CB 1.334 31.014 29.762 -0.137 0.000 1.425 290 H HN 0.545 nan 8.280 nan 0.000 0.471 291 I N 3.734 124.373 120.570 0.115 0.000 2.418 291 I HA 0.224 4.391 4.170 -0.004 0.000 0.287 291 I C -0.231 175.954 176.117 0.114 0.000 1.008 291 I CA -0.318 61.041 61.300 0.098 0.000 1.104 291 I CB 1.535 39.578 38.000 0.071 0.000 1.264 291 I HN 0.687 nan 8.210 nan 0.000 0.438 292 E N 3.835 124.114 120.200 0.132 0.000 2.417 292 E HA 0.376 4.723 4.350 -0.004 0.000 0.280 292 E C -2.026 174.690 176.600 0.194 0.000 1.112 292 E CA -0.890 55.616 56.400 0.175 0.000 0.863 292 E CB 1.814 31.658 29.700 0.241 0.000 1.346 292 E HN 0.266 nan 8.360 nan 0.000 0.443 293 D N -0.420 120.129 120.400 0.248 0.000 2.494 293 D HA 0.337 4.974 4.640 -0.004 0.000 0.259 293 D C 0.742 177.252 176.300 0.351 0.000 1.109 293 D CA -0.852 53.302 54.000 0.258 0.000 1.040 293 D CB 2.225 43.161 40.800 0.226 0.000 1.175 293 D HN 0.208 nan 8.370 nan 0.000 0.584 294 V N -0.342 119.771 119.914 0.331 0.000 2.719 294 V HA 0.268 4.385 4.120 -0.004 0.000 0.252 294 V C 1.114 177.511 176.094 0.505 0.000 1.065 294 V CA 1.597 64.104 62.300 0.345 0.000 1.086 294 V CB -0.310 31.734 31.823 0.369 0.000 0.700 294 V HN 0.695 nan 8.190 nan 0.000 0.467 295 G N -2.777 106.364 108.800 0.567 0.000 2.338 295 G HA2 0.578 4.535 3.960 -0.004 0.000 0.295 295 G HA3 0.578 4.535 3.960 -0.004 0.000 0.295 295 G C -0.466 174.672 174.900 0.397 0.000 1.461 295 G CA 0.169 45.660 45.100 0.652 0.000 0.817 295 G HN 0.923 nan 8.290 nan 0.000 0.556 296 G N -1.543 107.454 108.800 0.327 0.000 2.352 296 G HA2 0.555 4.513 3.960 -0.004 0.000 0.324 296 G HA3 0.555 4.513 3.960 -0.004 0.000 0.324 296 G C 0.270 175.296 174.900 0.210 0.000 1.249 296 G CA 0.515 45.764 45.100 0.250 0.000 1.053 296 G HN 2.392 nan 8.290 nan 0.000 0.492 297 T N -2.151 112.532 114.554 0.215 0.000 2.852 297 T HA 0.703 5.051 4.350 -0.004 0.000 0.281 297 T C 1.840 176.608 174.700 0.113 0.000 0.993 297 T CA 0.840 63.041 62.100 0.169 0.000 0.933 297 T CB 1.289 70.282 68.868 0.208 0.000 1.187 297 T HN 2.182 nan 8.240 nan 0.000 0.559 298 A N -0.318 122.467 122.820 -0.058 0.000 2.209 298 A HA 0.158 4.475 4.320 -0.004 0.000 0.212 298 A C 1.962 179.510 177.584 -0.061 0.000 1.158 298 A CA 0.614 52.532 52.037 -0.198 0.000 0.742 298 A CB -1.000 17.655 19.000 -0.575 0.000 0.790 298 A HN 0.726 nan 8.150 nan 0.000 0.472 299 L N -0.168 121.045 121.223 -0.017 0.000 1.993 299 L HA 0.039 4.376 4.340 -0.004 0.000 0.206 299 L C 2.637 179.514 176.870 0.012 0.000 1.074 299 L CA 2.293 57.104 54.840 -0.048 0.000 0.746 299 L CB -1.197 40.734 42.059 -0.213 0.000 0.896 299 L HN 0.288 nan 8.230 nan 0.000 0.435 300 A N -0.634 122.220 122.820 0.056 0.000 1.917 300 A HA -0.255 4.063 4.320 -0.004 0.000 0.219 300 A C 2.003 179.652 177.584 0.109 0.000 1.182 300 A CA 2.063 54.162 52.037 0.103 0.000 0.633 300 A CB -0.988 18.108 19.000 0.161 0.000 0.819 300 A HN 0.612 nan 8.150 nan 0.000 0.448 301 D N -0.675 119.790 120.400 0.109 0.000 2.117 301 D HA -0.094 4.543 4.640 -0.004 0.000 0.197 301 D C 1.988 178.332 176.300 0.073 0.000 0.987 301 D CA 1.854 55.916 54.000 0.103 0.000 0.829 301 D CB -0.650 40.242 40.800 0.153 0.000 0.961 301 D HN 0.421 nan 8.370 nan 0.000 0.460 302 T N 0.811 115.398 114.554 0.055 0.000 2.821 302 T HA -0.075 4.273 4.350 -0.004 0.000 0.267 302 T C 2.029 176.816 174.700 0.144 0.000 1.046 302 T CA 1.266 63.392 62.100 0.042 0.000 1.139 302 T CB -0.185 68.708 68.868 0.042 0.000 0.871 302 T HN 0.184 nan 8.240 nan 0.000 0.454 303 A N 1.620 124.531 122.820 0.153 0.000 1.883 303 A HA 0.105 4.423 4.320 -0.004 0.000 0.217 303 A C 2.644 180.300 177.584 0.119 0.000 1.186 303 A CA 1.880 54.011 52.037 0.157 0.000 0.624 303 A CB -1.140 17.909 19.000 0.081 0.000 0.822 303 A HN 0.508 nan 8.150 nan 0.000 0.444 304 A N -1.117 121.758 122.820 0.092 0.000 1.969 304 A HA 0.044 4.361 4.320 -0.004 0.000 0.218 304 A C 2.113 179.737 177.584 0.067 0.000 1.169 304 A CA 1.533 53.617 52.037 0.077 0.000 0.635 304 A CB -0.464 18.595 19.000 0.098 0.000 0.810 304 A HN 0.515 nan 8.150 nan 0.000 0.445 305 L N -1.214 120.037 121.223 0.046 0.000 2.179 305 L HA -0.081 4.257 4.340 -0.004 0.000 0.208 305 L C 2.369 179.231 176.870 -0.013 0.000 1.096 305 L CA 1.269 56.104 54.840 -0.008 0.000 0.779 305 L CB -0.426 41.595 42.059 -0.062 0.000 0.922 305 L HN 0.469 nan 8.230 nan 0.000 0.443 306 H N -1.229 117.877 119.070 0.060 0.000 2.387 306 H HA -0.179 4.375 4.556 -0.004 0.000 0.299 306 H C 2.069 177.434 175.328 0.063 0.000 1.099 306 H CA 1.966 58.078 56.048 0.108 0.000 1.315 306 H CB 0.030 29.839 29.762 0.077 0.000 1.380 306 H HN 0.269 nan 8.280 nan 0.000 0.513 307 L N 0.691 121.985 121.223 0.118 0.000 2.095 307 L HA 0.046 4.383 4.340 -0.004 0.000 0.204 307 L C 2.575 179.479 176.870 0.057 0.000 1.080 307 L CA 1.542 56.410 54.840 0.046 0.000 0.759 307 L CB -0.755 41.301 42.059 -0.004 0.000 0.914 307 L HN 0.130 nan 8.230 nan 0.000 0.439 308 A N -0.406 122.444 122.820 0.050 0.000 1.902 308 A HA -0.104 4.214 4.320 -0.004 0.000 0.217 308 A C 2.419 180.013 177.584 0.017 0.000 1.181 308 A CA 1.721 53.777 52.037 0.032 0.000 0.623 308 A CB -1.125 17.891 19.000 0.027 0.000 0.818 308 A HN 0.516 nan 8.150 nan 0.000 0.443 309 A N 0.221 123.045 122.820 0.007 0.000 1.969 309 A HA -0.039 4.278 4.320 -0.004 0.000 0.218 309 A C 2.315 179.904 177.584 0.008 0.000 1.169 309 A CA 2.027 54.040 52.037 -0.039 0.000 0.635 309 A CB -0.776 18.150 19.000 -0.122 0.000 0.810 309 A HN 0.997 nan 8.150 nan 0.000 0.445 310 S N -1.099 114.654 115.700 0.087 0.000 2.603 310 S HA 0.066 4.534 4.470 -0.004 0.000 0.220 310 S C 0.592 175.234 174.600 0.071 0.000 0.967 310 S CA 0.448 58.719 58.200 0.119 0.000 0.920 310 S CB -0.583 62.723 63.200 0.177 0.000 0.773 310 S HN 0.319 nan 8.310 nan 0.000 0.529 311 T N 4.956 119.538 114.554 0.046 0.000 2.832 311 T HA 0.400 4.747 4.350 -0.004 0.000 0.296 311 T C -2.683 172.032 174.700 0.026 0.000 0.968 311 T CA -1.182 60.941 62.100 0.039 0.000 1.107 311 T CB 0.965 69.855 68.868 0.037 0.000 0.916 311 T HN 0.148 nan 8.240 nan 0.000 0.517 312 P HA 0.062 nan 4.420 nan 0.000 0.265 312 P C 0.743 178.052 177.300 0.014 0.000 1.187 312 P CA -0.032 63.080 63.100 0.020 0.000 0.766 312 P CB 0.605 32.318 31.700 0.022 0.000 0.820 313 E N 3.757 123.961 120.200 0.007 0.000 2.110 313 E HA -0.217 4.130 4.350 -0.004 0.000 0.193 313 E C 1.795 178.402 176.600 0.011 0.000 0.988 313 E CA 1.716 58.116 56.400 0.001 0.000 0.804 313 E CB -0.783 28.913 29.700 -0.006 0.000 0.745 313 E HN 0.418 nan 8.360 nan 0.000 0.458 314 A N 0.473 123.305 122.820 0.019 0.000 1.986 314 A HA -0.227 4.091 4.320 -0.004 0.000 0.220 314 A C 1.649 179.260 177.584 0.046 0.000 1.171 314 A CA 1.944 54.000 52.037 0.032 0.000 0.640 314 A CB -0.649 18.370 19.000 0.032 0.000 0.811 314 A HN 0.464 nan 8.150 nan 0.000 0.451 315 N N -1.897 116.828 118.700 0.042 0.000 2.236 315 N HA 0.113 4.850 4.740 -0.004 0.000 0.196 315 N C 0.567 176.092 175.510 0.024 0.000 1.114 315 N CA -0.083 53.003 53.050 0.060 0.000 0.859 315 N CB 0.374 38.905 38.487 0.072 0.000 0.982 315 N HN 0.350 nan 8.380 nan 0.000 0.493 316 R N 1.583 122.083 120.500 0.000 0.000 2.229 316 R HA 0.364 4.701 4.340 -0.004 0.000 0.332 316 R C -0.810 175.446 176.300 -0.074 0.000 0.989 316 R CA -0.236 55.844 56.100 -0.033 0.000 0.842 316 R CB 0.429 30.719 30.300 -0.016 0.000 1.119 316 R HN 0.050 nan 8.270 nan 0.000 0.456 317 L N 2.223 123.342 121.223 -0.174 0.000 2.578 317 L HA 0.589 4.927 4.340 -0.004 0.000 0.259 317 L C 0.459 177.282 176.870 -0.078 0.000 1.082 317 L CA -1.179 53.531 54.840 -0.217 0.000 0.843 317 L CB 0.758 42.433 42.059 -0.641 0.000 1.535 317 L HN 0.648 nan 8.230 nan 0.000 0.510 318 A N 0.077 122.926 122.820 0.048 0.000 2.466 318 A HA 0.392 4.709 4.320 -0.004 0.000 0.238 318 A C -0.094 177.622 177.584 0.221 0.000 1.074 318 A CA -0.029 52.082 52.037 0.124 0.000 0.774 318 A CB 0.038 19.099 19.000 0.101 0.000 1.015 318 A HN 0.565 nan 8.150 nan 0.000 0.498 319 S N -0.121 115.657 115.700 0.130 0.000 2.608 319 S HA 0.461 4.929 4.470 -0.004 0.000 0.291 319 S C -0.711 173.990 174.600 0.169 0.000 1.146 319 S CA -0.252 58.034 58.200 0.144 0.000 1.043 319 S CB 0.885 64.141 63.200 0.093 0.000 1.037 319 S HN 0.723 nan 8.310 nan 0.000 0.520 320 W N 3.190 124.462 121.300 -0.047 0.000 2.438 320 W HA 0.598 5.255 4.660 -0.005 0.000 0.324 320 W C -1.644 174.858 176.519 -0.028 0.000 1.119 320 W CA -0.764 56.540 57.345 -0.069 0.000 1.221 320 W CB 0.495 29.864 29.460 -0.151 0.000 1.253 320 W HN 0.291 nan 8.180 nan 0.000 0.555 321 L N 6.565 127.420 121.223 -0.615 0.000 2.276 321 L HA 0.354 4.691 4.340 -0.004 0.000 0.286 321 L C 1.327 177.454 176.870 -1.237 0.000 1.024 321 L CA 0.002 54.453 54.840 -0.648 0.000 0.826 321 L CB 0.866 42.617 42.059 -0.513 0.000 1.211 321 L HN 0.875 nan 8.230 nan 0.000 0.422 322 G N 2.711 110.815 108.800 -1.160 0.000 2.448 322 G HA2 -0.241 3.716 3.960 -0.004 0.000 0.219 322 G HA3 -0.241 3.716 3.960 -0.004 0.000 0.219 322 G C 1.295 175.980 174.900 -0.357 0.000 1.127 322 G CA 0.942 45.367 45.100 -1.124 0.000 0.766 322 G HN 0.868 nan 8.290 nan 0.000 0.552 323 H N -0.176 118.772 119.070 -0.204 0.000 2.546 323 H HA 0.306 4.859 4.556 -0.004 0.000 0.277 323 H C 2.306 177.605 175.328 -0.049 0.000 1.004 323 H CA 0.786 56.795 56.048 -0.065 0.000 1.231 323 H CB -0.363 29.370 29.762 -0.047 0.000 1.382 323 H HN 0.285 nan 8.280 nan 0.000 0.580 324 A N 1.631 124.165 122.820 -0.477 0.000 2.121 324 A HA -0.135 4.182 4.320 -0.004 0.000 0.218 324 A C 1.507 178.968 177.584 -0.205 0.000 1.154 324 A CA 0.831 52.670 52.037 -0.330 0.000 0.679 324 A CB -0.717 18.049 19.000 -0.389 0.000 0.795 324 A HN 0.620 nan 8.150 nan 0.000 0.458 325 H N -1.387 117.641 119.070 -0.071 0.000 2.549 325 H HA 0.335 4.889 4.556 -0.004 0.000 0.279 325 H C -0.231 175.128 175.328 0.052 0.000 1.018 325 H CA -0.251 55.840 56.048 0.071 0.000 1.175 325 H CB 0.236 30.166 29.762 0.280 0.000 1.485 325 H HN 0.322 nan 8.280 nan 0.000 0.543 326 L N 0.083 121.370 121.223 0.107 0.000 2.360 326 L HA 0.348 4.686 4.340 -0.004 0.000 0.271 326 L C 1.212 178.087 176.870 0.009 0.000 1.057 326 L CA -0.413 54.457 54.840 0.049 0.000 0.803 326 L CB 1.401 43.495 42.059 0.058 0.000 1.207 326 L HN 0.026 nan 8.230 nan 0.000 0.445 327 A N 0.262 123.068 122.820 -0.023 0.000 2.195 327 A HA 0.103 4.421 4.320 -0.004 0.000 0.210 327 A C 0.411 177.976 177.584 -0.030 0.000 1.165 327 A CA 0.453 52.471 52.037 -0.032 0.000 0.806 327 A CB -0.097 18.874 19.000 -0.049 0.000 0.847 327 A HN 0.732 nan 8.150 nan 0.000 0.482 328 D N -1.102 119.279 120.400 -0.031 0.000 2.533 328 D HA 0.478 5.116 4.640 -0.004 0.000 0.247 328 D C -1.858 174.423 176.300 -0.031 0.000 1.056 328 D CA -0.177 53.799 54.000 -0.040 0.000 1.054 328 D CB 1.884 42.649 40.800 -0.059 0.000 1.400 328 D HN 0.018 nan 8.370 nan 0.000 0.533 329 D N 0.316 120.688 120.400 -0.046 0.000 2.470 329 D HA 0.229 4.866 4.640 -0.004 0.000 0.233 329 D C -1.971 174.283 176.300 -0.078 0.000 1.372 329 D CA -1.238 52.732 54.000 -0.051 0.000 0.994 329 D CB 1.900 42.674 40.800 -0.044 0.000 1.377 329 D HN -0.018 nan 8.370 nan 0.000 0.586 330 P HA 0.123 nan 4.420 nan 0.000 0.236 330 P C 0.832 178.056 177.300 -0.126 0.000 1.177 330 P CA 0.326 63.340 63.100 -0.143 0.000 0.773 330 P CB 0.135 31.692 31.700 -0.238 0.000 0.878 331 I N -2.577 117.937 120.570 -0.094 0.000 2.976 331 I HA 0.444 4.611 4.170 -0.004 0.000 0.328 331 I C -2.782 173.275 176.117 -0.100 0.000 1.396 331 I CA -2.770 58.471 61.300 -0.098 0.000 0.869 331 I CB 0.870 38.824 38.000 -0.077 0.000 2.156 331 I HN -0.291 nan 8.210 nan 0.000 0.595 332 P HA 0.123 nan 4.420 nan 0.000 0.268 332 P C 1.034 178.290 177.300 -0.073 0.000 1.204 332 P CA 1.131 64.184 63.100 -0.077 0.000 0.768 332 P CB 1.033 32.695 31.700 -0.063 0.000 0.842 333 G N 1.596 110.353 108.800 -0.072 0.000 2.153 333 G HA2 -0.227 3.730 3.960 -0.004 0.000 0.252 333 G HA3 -0.227 3.730 3.960 -0.004 0.000 0.252 333 G C -0.110 174.751 174.900 -0.065 0.000 0.994 333 G CA -0.099 44.964 45.100 -0.060 0.000 0.698 333 G HN 0.659 nan 8.290 nan 0.000 0.521 334 Q N -0.859 118.889 119.800 -0.086 0.000 2.394 334 Q HA 0.616 4.953 4.340 -0.004 0.000 0.273 334 Q C 0.433 176.372 176.000 -0.102 0.000 1.089 334 Q CA -0.315 55.440 55.803 -0.081 0.000 0.812 334 Q CB 2.406 31.092 28.738 -0.087 0.000 1.353 334 Q HN 1.632 nan 8.270 nan 0.000 0.438 335 G N 0.528 109.286 108.800 -0.071 0.000 2.712 335 G HA2 0.018 3.975 3.960 -0.004 0.000 0.683 335 G HA3 0.018 3.975 3.960 -0.004 0.000 0.683 335 G C -0.827 174.029 174.900 -0.074 0.000 1.320 335 G CA -0.580 44.475 45.100 -0.075 0.000 0.847 335 G HN 0.808 nan 8.290 nan 0.000 0.553 336 A N 0.908 123.691 122.820 -0.062 0.000 2.409 336 A HA 0.702 5.020 4.320 -0.004 0.000 0.267 336 A C 0.769 178.359 177.584 0.009 0.000 1.127 336 A CA 0.288 52.300 52.037 -0.041 0.000 0.795 336 A CB 0.192 19.159 19.000 -0.056 0.000 1.061 336 A HN 0.916 nan 8.150 nan 0.000 0.502 337 R N 2.339 122.851 120.500 0.019 0.000 2.892 337 R HA 0.370 4.708 4.340 -0.004 0.000 0.265 337 R C -0.713 175.608 176.300 0.035 0.000 1.025 337 R CA -1.129 55.031 56.100 0.099 0.000 0.982 337 R CB 0.532 30.870 30.300 0.064 0.000 1.185 337 R HN 0.733 nan 8.270 nan 0.000 0.484 338 N N 1.908 120.621 118.700 0.023 0.000 2.420 338 N HA 0.031 4.769 4.740 -0.004 0.000 0.262 338 N C -0.809 174.658 175.510 -0.071 0.000 1.144 338 N CA 0.170 53.186 53.050 -0.056 0.000 0.952 338 N CB 0.548 38.975 38.487 -0.099 0.000 1.081 338 N HN 0.308 nan 8.380 nan 0.000 0.480 339 R N 3.121 123.570 120.500 -0.085 0.000 2.312 339 R HA 0.120 4.457 4.340 -0.004 0.000 0.310 339 R C -0.591 175.639 176.300 -0.116 0.000 1.064 339 R CA -0.577 55.471 56.100 -0.086 0.000 0.983 339 R CB 0.256 30.517 30.300 -0.066 0.000 1.139 339 R HN 0.622 nan 8.270 nan 0.000 0.536 340 D N 1.890 122.200 120.400 -0.149 0.000 2.699 340 D HA -0.193 4.445 4.640 -0.004 0.000 0.239 340 D C 0.903 177.080 176.300 -0.204 0.000 1.136 340 D CA 1.770 55.669 54.000 -0.169 0.000 0.668 340 D CB -0.737 39.998 40.800 -0.108 0.000 1.060 340 D HN 1.031 nan 8.370 nan 0.000 0.429 341 G N -1.538 107.088 108.800 -0.291 0.000 2.175 341 G HA2 -0.229 3.728 3.960 -0.004 0.000 0.244 341 G HA3 -0.229 3.728 3.960 -0.004 0.000 0.244 341 G C 0.194 175.002 174.900 -0.154 0.000 0.982 341 G CA 0.241 45.171 45.100 -0.284 0.000 0.641 341 G HN 0.591 nan 8.290 nan 0.000 0.527 342 L N -0.298 120.849 121.223 -0.127 0.000 2.371 342 L HA 0.895 5.233 4.340 -0.004 0.000 0.262 342 L C 0.080 176.903 176.870 -0.079 0.000 1.006 342 L CA -0.634 54.152 54.840 -0.090 0.000 0.818 342 L CB 2.351 44.358 42.059 -0.086 0.000 1.354 342 L HN 0.475 nan 8.230 nan 0.000 0.415 343 A N 0.617 123.396 122.820 -0.067 0.000 2.475 343 A HA 0.879 5.197 4.320 -0.004 0.000 0.301 343 A C -0.958 176.576 177.584 -0.083 0.000 1.059 343 A CA -0.463 51.537 52.037 -0.062 0.000 0.710 343 A CB 1.999 20.977 19.000 -0.036 0.000 1.288 343 A HN 0.542 nan 8.150 nan 0.000 0.408 344 T N 4.189 118.688 114.554 -0.091 0.000 2.812 344 T HA 0.667 5.014 4.350 -0.004 0.000 0.282 344 T C -2.779 171.840 174.700 -0.135 0.000 0.990 344 T CA -0.947 61.078 62.100 -0.126 0.000 0.960 344 T CB 1.701 70.502 68.868 -0.112 0.000 0.948 344 T HN 0.568 nan 8.240 nan 0.000 0.438 345 P HA 0.381 nan 4.420 nan 0.000 0.276 345 P C -2.772 174.483 177.300 -0.075 0.000 1.244 345 P CA -1.701 61.245 63.100 -0.257 0.000 0.801 345 P CB -0.208 31.213 31.700 -0.464 0.000 1.006 346 P HA 0.169 nan 4.420 nan 0.000 0.273 346 P C 0.316 177.858 177.300 0.403 0.000 1.250 346 P CA 0.013 63.216 63.100 0.173 0.000 0.793 346 P CB 0.257 32.061 31.700 0.174 0.000 1.011 347 S N -1.383 114.514 115.700 0.330 0.000 2.666 347 S HA 0.341 4.809 4.470 -0.004 0.000 0.239 347 S C 0.547 175.260 174.600 0.188 0.000 1.031 347 S CA -0.294 58.153 58.200 0.411 0.000 1.015 347 S CB 0.058 63.511 63.200 0.420 0.000 0.981 347 S HN 0.626 nan 8.310 nan 0.000 0.547 348 A N 3.083 125.989 122.820 0.144 0.000 2.448 348 A HA 0.481 4.798 4.320 -0.004 0.000 0.239 348 A C -2.525 175.076 177.584 0.028 0.000 1.080 348 A CA -0.966 51.115 52.037 0.074 0.000 0.779 348 A CB -0.485 18.557 19.000 0.069 0.000 1.026 348 A HN 0.107 nan 8.150 nan 0.000 0.499 349 P HA 0.310 nan 4.420 nan 0.000 0.266 349 P C 1.006 178.293 177.300 -0.021 0.000 1.193 349 P CA 1.768 64.850 63.100 -0.031 0.000 0.770 349 P CB 0.318 32.007 31.700 -0.018 0.000 0.836 350 G N 1.492 110.262 108.800 -0.049 0.000 2.552 350 G HA2 -0.329 3.629 3.960 -0.004 0.000 0.265 350 G HA3 -0.329 3.629 3.960 -0.004 0.000 0.265 350 G C 0.616 175.468 174.900 -0.081 0.000 1.234 350 G CA 0.210 45.289 45.100 -0.034 0.000 0.944 350 G HN 0.561 nan 8.290 nan 0.000 0.568 351 L N 1.536 122.751 121.223 -0.012 0.000 2.093 351 L HA 0.373 4.710 4.340 -0.004 0.000 0.208 351 L C 2.597 179.563 176.870 0.159 0.000 1.085 351 L CA 3.068 57.917 54.840 0.014 0.000 0.755 351 L CB -0.754 41.348 42.059 0.072 0.000 0.904 351 L HN 2.627 nan 8.230 nan 0.000 0.435 352 G N -1.056 107.810 108.800 0.110 0.000 2.141 352 G HA2 -0.205 3.753 3.960 -0.004 0.000 0.242 352 G HA3 -0.205 3.753 3.960 -0.004 0.000 0.242 352 G C 0.218 175.160 174.900 0.069 0.000 0.982 352 G CA 0.404 45.573 45.100 0.115 0.000 0.662 352 G HN 0.951 nan 8.290 nan 0.000 0.527 353 V N -0.566 119.373 119.914 0.040 0.000 2.656 353 V HA 0.865 4.983 4.120 -0.004 0.000 0.307 353 V C -0.401 175.641 176.094 -0.087 0.000 1.051 353 V CA -1.362 60.917 62.300 -0.035 0.000 0.893 353 V CB 1.851 33.635 31.823 -0.066 0.000 0.999 353 V HN 0.436 nan 8.190 nan 0.000 0.426 354 I N 7.002 127.481 120.570 -0.152 0.000 2.521 354 I HA 0.448 4.615 4.170 -0.004 0.000 0.277 354 I C -2.511 173.364 176.117 -0.402 0.000 1.054 354 I CA -1.740 59.417 61.300 -0.239 0.000 1.117 354 I CB 1.936 39.901 38.000 -0.059 0.000 1.217 354 I HN 0.507 nan 8.210 nan 0.000 0.469 355 P HA 0.065 nan 4.420 nan 0.000 0.272 355 P C -0.739 176.232 177.300 -0.549 0.000 1.223 355 P CA -0.219 62.468 63.100 -0.688 0.000 0.784 355 P CB 0.711 31.831 31.700 -0.967 0.000 0.923 356 D N 2.677 122.881 120.400 -0.327 0.000 2.347 356 D HA 0.148 4.785 4.640 -0.004 0.000 0.235 356 D C -1.617 174.567 176.300 -0.193 0.000 1.149 356 D CA -2.259 51.631 54.000 -0.183 0.000 0.850 356 D CB 0.775 41.504 40.800 -0.119 0.000 1.061 356 D HN 0.071 nan 8.370 nan 0.000 0.487 357 P HA -0.157 nan 4.420 nan 0.000 0.218 357 P C 0.983 178.268 177.300 -0.024 0.000 1.146 357 P CA 0.851 63.919 63.100 -0.053 0.000 0.813 357 P CB 0.467 32.290 31.700 0.206 0.000 0.778 358 E N -0.216 119.977 120.200 -0.011 0.000 2.204 358 E HA -0.115 4.232 4.350 -0.004 0.000 0.195 358 E C 1.885 178.460 176.600 -0.042 0.000 0.990 358 E CA 1.217 57.614 56.400 -0.005 0.000 0.821 358 E CB -1.006 28.692 29.700 -0.002 0.000 0.750 358 E HN 0.124 nan 8.360 nan 0.000 0.477 359 A N -0.475 122.289 122.820 -0.092 0.000 2.206 359 A HA 0.058 4.375 4.320 -0.004 0.000 0.211 359 A C 1.666 179.163 177.584 -0.144 0.000 1.158 359 A CA 0.412 52.380 52.037 -0.115 0.000 0.761 359 A CB -0.158 18.759 19.000 -0.139 0.000 0.801 359 A HN 0.278 nan 8.150 nan 0.000 0.473 360 L N -1.642 119.491 121.223 -0.150 0.000 2.590 360 L HA 0.371 4.709 4.340 -0.004 0.000 0.227 360 L C 1.186 178.063 176.870 0.012 0.000 1.099 360 L CA 0.336 55.071 54.840 -0.175 0.000 0.872 360 L CB -0.319 41.480 42.059 -0.433 0.000 1.088 360 L HN 0.516 nan 8.230 nan 0.000 0.479 361 G N 0.872 109.704 108.800 0.054 0.000 2.710 361 G HA2 -0.175 3.782 3.960 -0.004 0.000 0.668 361 G HA3 -0.175 3.782 3.960 -0.004 0.000 0.668 361 G C -0.571 174.452 174.900 0.206 0.000 1.320 361 G CA -0.862 44.295 45.100 0.095 0.000 0.860 361 G HN 0.047 nan 8.290 nan 0.000 0.538 362 R N 0.839 121.419 120.500 0.133 0.000 2.543 362 R HA 0.328 4.665 4.340 -0.004 0.000 0.277 362 R C -1.712 174.629 176.300 0.068 0.000 1.074 362 R CA -0.956 55.212 56.100 0.113 0.000 1.076 362 R CB 0.488 30.815 30.300 0.044 0.000 0.993 362 R HN 0.440 nan 8.270 nan 0.000 0.459 363 P HA -0.042 nan 4.420 nan 0.000 0.269 363 P C 0.782 177.954 177.300 -0.212 0.000 1.209 363 P CA 0.076 62.914 63.100 -0.437 0.000 0.776 363 P CB 0.545 31.882 31.700 -0.606 0.000 0.876 364 V N -0.772 119.038 119.914 -0.175 0.000 3.174 364 V HA 0.488 4.605 4.120 -0.004 0.000 0.254 364 V C 0.643 176.661 176.094 -0.127 0.000 1.120 364 V CA 0.908 63.161 62.300 -0.078 0.000 1.114 364 V CB -0.749 31.090 31.823 0.028 0.000 0.756 364 V HN 0.662 nan 8.190 nan 0.000 0.467 365 A N -0.521 122.177 122.820 -0.203 0.000 2.594 365 A HA 0.818 5.135 4.320 -0.004 0.000 0.295 365 A C -0.688 176.635 177.584 -0.435 0.000 1.071 365 A CA 0.151 51.996 52.037 -0.320 0.000 0.685 365 A CB 1.870 20.734 19.000 -0.228 0.000 1.285 365 A HN 0.485 nan 8.150 nan 0.000 0.405 366 S N -0.057 115.247 115.700 -0.659 0.000 2.540 366 S HA 0.799 5.267 4.470 -0.004 0.000 0.275 366 S C -2.087 172.090 174.600 -0.705 0.000 1.123 366 S CA -0.292 57.614 58.200 -0.490 0.000 0.907 366 S CB 0.835 63.863 63.200 -0.287 0.000 1.081 366 S HN 0.708 nan 8.310 nan 0.000 0.476 367 Y N 2.264 122.523 120.300 -0.069 0.000 2.354 367 Y HA 0.479 5.026 4.550 -0.006 0.000 0.330 367 Y C -0.567 175.299 175.900 -0.057 0.000 1.011 367 Y CA -0.832 57.233 58.100 -0.059 0.000 1.099 367 Y CB 1.753 40.178 38.460 -0.058 0.000 1.179 367 Y HN 0.789 nan 8.280 nan 0.000 0.442 368 D N -0.489 119.956 120.400 0.075 0.000 2.570 368 D HA 0.513 5.150 4.640 -0.004 0.000 0.244 368 D C -1.025 175.284 176.300 0.014 0.000 1.178 368 D CA -1.050 52.967 54.000 0.027 0.000 0.881 368 D CB 1.978 42.776 40.800 -0.003 0.000 1.453 368 D HN 0.454 nan 8.370 nan 0.000 0.447 369 E N 0.000 120.200 120.200 -0.001 0.000 2.725 369 E HA 0.000 4.347 4.350 -0.004 0.000 0.291 369 E CA 0.000 56.394 56.400 -0.009 0.000 0.976 369 E CB 0.000 29.691 29.700 -0.016 0.000 0.812 369 E HN 0.000 nan 8.360 nan 0.000 0.440