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 1di9_1_A DATA FIRST_RESID 4 DATA SEQUENCE ERPTFYRQEL NKTIWEVPER YQNLSPVGSG AYGSVCAAFD TKTGLRVAVK DATA SEQUENCE KLSRPFQSII HAKRTYRELR LLKHMKHENV IGLLDVFTPA RSLEEFNDVY DATA SEQUENCE LVTHLMGADL NNIVKCQKLT DDHVQFLIYQ ILRGLKYIHS ADIIHRDLKP DATA SEQUENCE SNLAVNEDCE LKILDFGLAR HTDDEMTGYV ATRWYRAPEI MLNWMHYNQT DATA SEQUENCE VDIWSVGCIM AELLTGRTLF PGTDHIDQLK LILRLVGTPG AELLKKISSE DATA SEQUENCE SARNYIQSLT QMPKMNFANV FIGANPLAVD LLEKMLVLDS DKRITAAQAL DATA SEQUENCE AHAYFAQYHD PDDEPVADPY DQSFESRDLL IDEWKSLTYD EVISFVPP 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 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.633 176.600 0.055 0.000 1.382 4 E CA 0.000 56.421 56.400 0.035 0.000 0.976 4 E CB 0.000 29.715 29.700 0.024 0.000 0.812 5 R N 2.604 123.152 120.500 0.080 0.000 2.296 5 R HA 0.409 4.748 4.340 -0.002 0.000 0.323 5 R C -1.614 174.757 176.300 0.118 0.000 1.067 5 R CA -0.819 55.362 56.100 0.134 0.000 0.946 5 R CB 0.219 30.617 30.300 0.163 0.000 0.991 5 R HN 0.603 nan 8.270 nan 0.000 0.448 6 P HA 0.063 nan 4.420 nan 0.000 0.274 6 P C -0.724 176.598 177.300 0.037 0.000 1.260 6 P CA -0.290 62.786 63.100 -0.041 0.000 0.793 6 P CB 0.576 32.150 31.700 -0.212 0.000 1.048 7 T N 0.740 115.290 114.554 -0.006 0.000 2.882 7 T HA 0.437 4.785 4.350 -0.002 0.000 0.287 7 T C -0.131 174.616 174.700 0.077 0.000 0.992 7 T CA 0.177 62.352 62.100 0.124 0.000 1.076 7 T CB -0.034 68.880 68.868 0.078 0.000 0.961 7 T HN 0.126 nan 8.240 nan 0.000 0.490 8 F N 1.879 121.844 119.950 0.025 0.000 2.483 8 F HA 0.633 5.159 4.527 -0.001 0.000 0.329 8 F C -0.089 175.790 175.800 0.130 0.000 1.064 8 F CA -1.291 56.719 58.000 0.016 0.000 0.986 8 F CB 1.119 40.083 39.000 -0.060 0.000 1.218 8 F HN 0.574 nan 8.300 nan 0.000 0.484 9 Y N -1.162 119.237 120.300 0.165 0.000 2.545 9 Y HA 0.853 5.402 4.550 -0.002 0.000 0.348 9 Y C -1.090 174.896 175.900 0.144 0.000 1.002 9 Y CA -1.815 56.357 58.100 0.119 0.000 1.039 9 Y CB 1.275 39.775 38.460 0.066 0.000 1.271 9 Y HN 0.534 nan 8.280 nan 0.000 0.467 10 R N 1.800 122.411 120.500 0.186 0.000 2.787 10 R HA 0.678 5.016 4.340 -0.002 0.000 0.271 10 R C -1.362 175.036 176.300 0.163 0.000 0.993 10 R CA -1.062 55.108 56.100 0.115 0.000 0.993 10 R CB 2.082 32.458 30.300 0.126 0.000 1.155 10 R HN 0.915 nan 8.270 nan 0.000 0.486 11 Q N -0.265 119.625 119.800 0.150 0.000 2.617 11 Q HA 0.221 4.560 4.340 -0.002 0.000 0.270 11 Q C -1.677 174.420 176.000 0.161 0.000 0.967 11 Q CA -0.923 54.971 55.803 0.151 0.000 0.887 11 Q CB 1.568 30.398 28.738 0.153 0.000 1.516 11 Q HN 0.547 nan 8.270 nan 0.000 0.395 12 E N 2.559 122.833 120.200 0.123 0.000 2.229 12 E HA 0.409 4.758 4.350 -0.002 0.000 0.283 12 E C -1.117 175.527 176.600 0.073 0.000 1.030 12 E CA -0.520 55.957 56.400 0.129 0.000 0.836 12 E CB 0.799 30.557 29.700 0.097 0.000 1.068 12 E HN 0.579 nan 8.360 nan 0.000 0.401 13 L N 5.017 126.296 121.223 0.094 0.000 2.470 13 L HA 0.326 4.665 4.340 -0.002 0.000 0.253 13 L C -1.060 175.852 176.870 0.069 0.000 1.163 13 L CA -0.775 54.038 54.840 -0.045 0.000 0.932 13 L CB 0.431 42.224 42.059 -0.444 0.000 1.213 13 L HN 0.681 nan 8.230 nan 0.000 0.485 14 N N 1.655 120.387 118.700 0.054 0.000 2.531 14 N HA -0.183 4.556 4.740 -0.002 0.000 0.279 14 N C 0.607 176.174 175.510 0.096 0.000 1.267 14 N CA 1.174 54.263 53.050 0.065 0.000 0.663 14 N CB -0.811 37.711 38.487 0.058 0.000 0.886 14 N HN 0.681 nan 8.380 nan 0.000 0.544 15 K N -2.581 117.867 120.400 0.080 0.000 2.960 15 K HA -0.254 4.065 4.320 -0.002 0.000 0.259 15 K C 0.324 176.984 176.600 0.100 0.000 1.025 15 K CA 2.094 58.427 56.287 0.076 0.000 0.756 15 K CB -2.083 30.449 32.500 0.053 0.000 1.221 15 K HN 0.829 nan 8.250 nan 0.000 0.483 16 T N -0.557 114.095 114.554 0.163 0.000 2.928 16 T HA 0.653 5.002 4.350 -0.002 0.000 0.296 16 T C -0.171 174.707 174.700 0.296 0.000 1.000 16 T CA -0.495 61.730 62.100 0.210 0.000 0.989 16 T CB 1.286 70.352 68.868 0.329 0.000 1.005 16 T HN 0.379 nan 8.240 nan 0.000 0.442 17 I N 3.103 123.800 120.570 0.211 0.000 2.297 17 I HA 0.292 4.461 4.170 -0.002 0.000 0.291 17 I C -0.673 175.628 176.117 0.306 0.000 1.033 17 I CA -0.521 60.924 61.300 0.243 0.000 1.253 17 I CB 0.714 38.800 38.000 0.145 0.000 1.396 17 I HN 0.537 nan 8.210 nan 0.000 0.476 18 W N 5.671 127.035 121.300 0.107 0.000 2.315 18 W HA 0.354 5.013 4.660 -0.001 0.000 0.316 18 W C 0.347 176.895 176.519 0.048 0.000 1.211 18 W CA -0.452 56.992 57.345 0.165 0.000 1.201 18 W CB 0.620 30.155 29.460 0.126 0.000 1.184 18 W HN 0.369 nan 8.180 nan 0.000 0.544 19 E N 2.970 123.292 120.200 0.204 0.000 2.267 19 E HA 0.420 4.769 4.350 -0.002 0.000 0.248 19 E C -1.114 175.449 176.600 -0.062 0.000 0.899 19 E CA -0.445 55.992 56.400 0.061 0.000 0.764 19 E CB 0.885 30.655 29.700 0.117 0.000 1.227 19 E HN 0.338 nan 8.360 nan 0.000 0.421 20 V N 1.232 121.008 119.914 -0.229 0.000 3.046 20 V HA 0.763 4.882 4.120 -0.002 0.000 0.316 20 V C -2.779 172.948 176.094 -0.611 0.000 1.104 20 V CA -2.888 59.139 62.300 -0.454 0.000 1.006 20 V CB 1.740 33.402 31.823 -0.268 0.000 1.058 20 V HN 0.431 nan 8.190 nan 0.000 0.440 21 P HA 0.272 nan 4.420 nan 0.000 0.271 21 P C 0.488 177.667 177.300 -0.202 0.000 1.218 21 P CA 0.026 62.611 63.100 -0.858 0.000 0.780 21 P CB 0.497 31.641 31.700 -0.927 0.000 0.901 22 E N 2.314 122.472 120.200 -0.071 0.000 2.219 22 E HA -0.295 4.054 4.350 -0.002 0.000 0.198 22 E C 1.819 178.377 176.600 -0.070 0.000 0.998 22 E CA 1.096 57.522 56.400 0.042 0.000 0.818 22 E CB -0.196 29.470 29.700 -0.058 0.000 0.741 22 E HN 0.498 nan 8.360 nan 0.000 0.477 23 R N 0.463 120.811 120.500 -0.255 0.000 2.127 23 R HA -0.151 4.188 4.340 -0.002 0.000 0.238 23 R C 0.230 176.271 176.300 -0.433 0.000 1.134 23 R CA 1.032 56.891 56.100 -0.402 0.000 0.975 23 R CB -0.637 29.300 30.300 -0.605 0.000 0.865 23 R HN 0.096 nan 8.270 nan 0.000 0.447 24 Y N 2.036 122.337 120.300 0.001 0.000 2.365 24 Y HA 0.286 4.835 4.550 -0.002 0.000 0.340 24 Y C 0.389 176.400 175.900 0.184 0.000 1.016 24 Y CA -0.545 57.594 58.100 0.064 0.000 1.196 24 Y CB 0.852 39.348 38.460 0.059 0.000 1.167 24 Y HN 0.014 nan 8.280 nan 0.000 0.509 25 Q N 1.226 121.196 119.800 0.284 0.000 2.416 25 Q HA 0.242 4.581 4.340 -0.002 0.000 0.279 25 Q C -0.315 175.826 176.000 0.235 0.000 1.101 25 Q CA -1.297 54.655 55.803 0.249 0.000 0.830 25 Q CB 1.778 30.619 28.738 0.171 0.000 1.402 25 Q HN 0.700 nan 8.270 nan 0.000 0.445 26 N N 0.439 119.240 118.700 0.167 0.000 2.667 26 N HA -0.203 4.536 4.740 -0.002 0.000 0.263 26 N C -1.578 173.986 175.510 0.089 0.000 1.038 26 N CA 0.149 53.264 53.050 0.108 0.000 0.749 26 N CB -0.852 37.683 38.487 0.081 0.000 0.892 26 N HN 0.367 nan 8.380 nan 0.000 0.546 27 L N 0.648 121.910 121.223 0.066 0.000 2.367 27 L HA 0.403 4.742 4.340 -0.002 0.000 0.275 27 L C 0.804 177.616 176.870 -0.097 0.000 1.129 27 L CA 0.487 55.306 54.840 -0.035 0.000 0.839 27 L CB 1.411 43.392 42.059 -0.130 0.000 1.133 27 L HN 0.361 nan 8.230 nan 0.000 0.453 28 S N 4.443 120.078 115.700 -0.109 0.000 2.672 28 S HA 0.648 5.117 4.470 -0.002 0.000 0.291 28 S C -2.622 171.903 174.600 -0.124 0.000 1.145 28 S CA -1.335 56.803 58.200 -0.102 0.000 1.013 28 S CB 1.368 64.543 63.200 -0.041 0.000 1.017 28 S HN 0.268 nan 8.310 nan 0.000 0.487 29 P HA 0.098 nan 4.420 nan 0.000 0.270 29 P C 0.448 177.720 177.300 -0.046 0.000 1.221 29 P CA -0.086 62.947 63.100 -0.112 0.000 0.788 29 P CB 0.480 32.126 31.700 -0.090 0.000 0.904 30 V N -3.470 116.435 119.914 -0.016 0.000 3.406 30 V HA 0.615 4.734 4.120 -0.002 0.000 0.266 30 V C 0.195 176.297 176.094 0.014 0.000 1.697 30 V CA 0.413 62.715 62.300 0.002 0.000 1.046 30 V CB 0.080 31.909 31.823 0.010 0.000 0.879 30 V HN 0.780 nan 8.190 nan 0.000 0.399 31 G N -0.606 108.207 108.800 0.022 0.000 2.341 31 G HA2 0.681 4.640 3.960 -0.002 0.000 0.300 31 G HA3 0.681 4.640 3.960 -0.002 0.000 0.300 31 G C -0.920 174.007 174.900 0.044 0.000 1.706 31 G CA 0.345 45.462 45.100 0.028 0.000 0.916 31 G HN 1.130 nan 8.290 nan 0.000 0.716 32 S N -0.813 114.911 115.700 0.039 0.000 2.526 32 S HA 1.059 5.528 4.470 -0.002 0.000 0.293 32 S C 0.291 174.902 174.600 0.019 0.000 1.092 32 S CA 0.010 58.237 58.200 0.044 0.000 0.980 32 S CB 2.138 65.372 63.200 0.057 0.000 1.048 32 S HN 2.192 nan 8.310 nan 0.000 0.483 33 G N -0.677 108.125 108.800 0.004 0.000 2.682 33 G HA2 0.697 4.656 3.960 -0.002 0.000 0.303 33 G HA3 0.697 4.656 3.960 -0.002 0.000 0.303 33 G C 0.567 175.450 174.900 -0.028 0.000 1.341 33 G CA 0.371 45.465 45.100 -0.011 0.000 0.784 33 G HN 1.408 nan 8.290 nan 0.000 0.497 34 A N -1.697 121.103 122.820 -0.033 0.000 2.178 34 A HA 0.312 4.631 4.320 -0.002 0.000 0.218 34 A C 2.108 179.639 177.584 -0.089 0.000 1.157 34 A CA 2.560 54.574 52.037 -0.038 0.000 0.689 34 A CB -1.160 17.825 19.000 -0.026 0.000 0.787 34 A HN 1.639 nan 8.150 nan 0.000 0.465 35 Y N -1.091 119.144 120.300 -0.109 0.000 2.163 35 Y HA 0.383 4.932 4.550 -0.002 0.000 0.288 35 Y C 1.317 177.114 175.900 -0.172 0.000 1.112 35 Y CA 0.760 58.762 58.100 -0.163 0.000 1.104 35 Y CB -0.673 37.708 38.460 -0.133 0.000 1.016 35 Y HN 1.082 nan 8.280 nan 0.000 0.497 36 G N -0.910 107.819 108.800 -0.119 0.000 2.378 36 G HA2 0.438 4.397 3.960 -0.002 0.000 0.302 36 G HA3 0.438 4.397 3.960 -0.002 0.000 0.302 36 G C -0.922 173.957 174.900 -0.035 0.000 1.669 36 G CA -0.291 44.736 45.100 -0.123 0.000 0.920 36 G HN 0.685 nan 8.290 nan 0.000 0.697 37 S N -0.953 114.771 115.700 0.039 0.000 2.566 37 S HA 0.459 4.928 4.470 -0.002 0.000 0.280 37 S C 0.458 175.223 174.600 0.275 0.000 1.343 37 S CA -0.198 58.110 58.200 0.181 0.000 1.036 37 S CB 1.342 64.743 63.200 0.334 0.000 0.866 37 S HN 0.966 nan 8.310 nan 0.000 0.526 38 V N 1.702 121.755 119.914 0.232 0.000 2.588 38 V HA 0.417 4.536 4.120 -0.002 0.000 0.304 38 V C -0.292 175.875 176.094 0.122 0.000 1.042 38 V CA -0.705 61.729 62.300 0.223 0.000 0.877 38 V CB 1.556 33.440 31.823 0.102 0.000 0.996 38 V HN 1.023 nan 8.190 nan 0.000 0.425 39 C N 3.393 122.743 119.300 0.082 0.000 2.507 39 C HA 0.869 5.328 4.460 -0.002 0.000 0.319 39 C C 0.718 175.693 174.990 -0.025 0.000 1.208 39 C CA -0.756 58.186 59.018 -0.127 0.000 1.619 39 C CB 1.297 28.735 27.740 -0.503 0.000 2.230 39 C HN 1.019 nan 8.230 nan 0.000 0.492 40 A N 2.087 124.894 122.820 -0.022 0.000 2.316 40 A HA 0.889 5.208 4.320 -0.002 0.000 0.284 40 A C -0.073 177.541 177.584 0.049 0.000 1.115 40 A CA 0.106 52.163 52.037 0.032 0.000 0.812 40 A CB 0.475 19.495 19.000 0.034 0.000 1.064 40 A HN 1.649 nan 8.150 nan 0.000 0.489 41 A N 0.590 123.478 122.820 0.114 0.000 2.601 41 A HA 0.621 4.940 4.320 -0.002 0.000 0.291 41 A C -1.514 176.237 177.584 0.279 0.000 1.075 41 A CA -0.471 51.675 52.037 0.181 0.000 0.671 41 A CB 0.684 19.794 19.000 0.183 0.000 1.277 41 A HN 1.481 nan 8.150 nan 0.000 0.417 42 F N 1.645 121.677 119.950 0.137 0.000 2.388 42 F HA 0.514 5.040 4.527 -0.002 0.000 0.358 42 F C -0.064 175.816 175.800 0.134 0.000 1.122 42 F CA -0.878 57.192 58.000 0.115 0.000 1.056 42 F CB 1.165 40.204 39.000 0.065 0.000 1.155 42 F HN 0.567 nan 8.300 nan 0.000 0.461 43 D N 4.165 124.340 120.400 -0.375 0.000 2.402 43 D HA 0.046 4.685 4.640 -0.002 0.000 0.235 43 D C 1.393 177.230 176.300 -0.772 0.000 1.226 43 D CA 0.274 54.026 54.000 -0.414 0.000 0.918 43 D CB 0.785 41.484 40.800 -0.169 0.000 1.043 43 D HN 0.663 nan 8.370 nan 0.000 0.506 44 T N 1.024 115.229 114.554 -0.581 0.000 2.897 44 T HA -0.212 4.137 4.350 -0.002 0.000 0.271 44 T C 1.641 176.173 174.700 -0.281 0.000 1.084 44 T CA 0.959 62.829 62.100 -0.384 0.000 1.123 44 T CB -0.096 68.727 68.868 -0.076 0.000 0.865 44 T HN 0.353 nan 8.240 nan 0.000 0.496 45 K N 1.094 121.310 120.400 -0.306 0.000 2.296 45 K HA -0.013 4.305 4.320 -0.002 0.000 0.200 45 K C 2.072 178.572 176.600 -0.166 0.000 1.048 45 K CA 1.389 57.551 56.287 -0.210 0.000 0.966 45 K CB 0.072 32.440 32.500 -0.221 0.000 0.754 45 K HN 0.646 nan 8.250 nan 0.000 0.466 46 T N -5.675 108.754 114.554 -0.210 0.000 2.969 46 T HA 0.224 4.573 4.350 -0.002 0.000 0.258 46 T C 1.140 175.762 174.700 -0.131 0.000 0.962 46 T CA 0.408 62.430 62.100 -0.130 0.000 0.903 46 T CB 0.895 69.711 68.868 -0.086 0.000 1.177 46 T HN 0.184 nan 8.240 nan 0.000 0.511 47 G N 1.658 110.277 108.800 -0.301 0.000 2.143 47 G HA2 -0.184 3.775 3.960 -0.002 0.000 0.249 47 G HA3 -0.184 3.775 3.960 -0.002 0.000 0.249 47 G C -0.134 174.726 174.900 -0.068 0.000 0.981 47 G CA 0.261 45.246 45.100 -0.191 0.000 0.665 47 G HN 0.665 nan 8.290 nan 0.000 0.528 48 L N 0.362 121.479 121.223 -0.178 0.000 2.379 48 L HA 0.640 4.979 4.340 -0.002 0.000 0.269 48 L C 0.850 177.771 176.870 0.085 0.000 1.084 48 L CA -1.224 53.633 54.840 0.028 0.000 0.802 48 L CB 0.759 42.852 42.059 0.057 0.000 1.175 48 L HN -0.061 nan 8.230 nan 0.000 0.448 49 R N 1.964 122.587 120.500 0.205 0.000 2.265 49 R HA 0.469 4.808 4.340 -0.002 0.000 0.314 49 R C -0.703 175.697 176.300 0.167 0.000 1.053 49 R CA -0.361 55.876 56.100 0.228 0.000 0.931 49 R CB 1.147 31.563 30.300 0.195 0.000 1.024 49 R HN 0.499 nan 8.270 nan 0.000 0.457 50 V N -1.114 118.890 119.914 0.150 0.000 3.001 50 V HA 0.899 5.018 4.120 -0.002 0.000 0.314 50 V C -0.321 175.824 176.094 0.084 0.000 1.099 50 V CA -1.400 60.964 62.300 0.107 0.000 0.989 50 V CB 2.156 34.043 31.823 0.107 0.000 1.040 50 V HN 0.723 nan 8.190 nan 0.000 0.434 51 A N 2.397 125.251 122.820 0.056 0.000 2.276 51 A HA 0.830 5.149 4.320 -0.002 0.000 0.316 51 A C -0.570 177.032 177.584 0.029 0.000 1.229 51 A CA -0.619 51.449 52.037 0.050 0.000 0.851 51 A CB 1.194 20.224 19.000 0.050 0.000 1.165 51 A HN 1.309 nan 8.150 nan 0.000 0.513 52 V N 3.437 123.397 119.914 0.077 0.000 2.378 52 V HA 0.386 4.505 4.120 -0.002 0.000 0.288 52 V C 0.085 176.339 176.094 0.268 0.000 1.016 52 V CA -0.582 61.793 62.300 0.125 0.000 0.840 52 V CB 1.407 33.352 31.823 0.202 0.000 0.994 52 V HN 0.893 nan 8.190 nan 0.000 0.431 53 K N 4.680 125.131 120.400 0.085 0.000 2.265 53 K HA 0.467 4.786 4.320 -0.002 0.000 0.267 53 K C -0.399 176.059 176.600 -0.236 0.000 0.994 53 K CA -0.704 55.589 56.287 0.011 0.000 0.860 53 K CB 1.149 33.611 32.500 -0.064 0.000 1.099 53 K HN 0.651 nan 8.250 nan 0.000 0.448 54 K N 7.088 127.207 120.400 -0.468 0.000 2.299 54 K HA 0.213 4.532 4.320 -0.002 0.000 0.268 54 K C -0.494 175.718 176.600 -0.647 0.000 1.075 54 K CA -0.532 55.173 56.287 -0.971 0.000 0.936 54 K CB 0.463 31.988 32.500 -1.624 0.000 1.228 54 K HN 0.610 nan 8.250 nan 0.000 0.454 55 L N 2.908 123.786 121.223 -0.575 0.000 2.514 55 L HA 0.014 4.353 4.340 -0.002 0.000 0.280 55 L C 0.226 176.839 176.870 -0.428 0.000 1.223 55 L CA 0.064 54.638 54.840 -0.443 0.000 0.864 55 L CB 0.843 42.638 42.059 -0.441 0.000 1.118 55 L HN 0.658 nan 8.230 nan 0.000 0.494 56 S N 3.296 118.807 115.700 -0.315 0.000 2.439 56 S HA 0.251 4.720 4.470 -0.002 0.000 0.282 56 S C 0.162 174.660 174.600 -0.171 0.000 1.170 56 S CA -0.630 57.436 58.200 -0.223 0.000 1.054 56 S CB 0.483 63.606 63.200 -0.128 0.000 0.956 56 S HN 0.580 nan 8.310 nan 0.000 0.490 57 R N 1.405 121.793 120.500 -0.187 0.000 3.158 57 R HA -0.145 4.194 4.340 -0.002 0.000 0.244 57 R C -1.888 174.302 176.300 -0.184 0.000 0.900 57 R CA 0.412 56.425 56.100 -0.145 0.000 0.618 57 R CB -1.612 28.650 30.300 -0.064 0.000 1.061 57 R HN 0.514 nan 8.270 nan 0.000 0.471 58 P HA -0.209 nan 4.420 nan 0.000 0.217 58 P C 0.215 176.922 177.300 -0.988 0.000 1.148 58 P CA 1.590 64.159 63.100 -0.885 0.000 0.834 58 P CB 0.066 30.956 31.700 -1.349 0.000 0.783 59 F N -0.775 119.132 119.950 -0.072 0.000 2.879 59 F HA 0.385 4.911 4.527 -0.002 0.000 0.354 59 F C 1.972 177.753 175.800 -0.031 0.000 1.291 59 F CA -0.803 57.174 58.000 -0.038 0.000 1.238 59 F CB -0.374 38.577 39.000 -0.081 0.000 1.005 59 F HN -0.116 nan 8.300 nan 0.000 0.508 60 Q N 0.833 120.651 119.800 0.030 0.000 1.775 60 Q HA 0.023 4.362 4.340 -0.002 0.000 0.303 60 Q C 1.098 177.079 176.000 -0.031 0.000 0.954 60 Q CA 0.951 56.723 55.803 -0.052 0.000 0.883 60 Q CB 0.056 28.668 28.738 -0.210 0.000 0.916 60 Q HN 0.444 nan 8.270 nan 0.000 0.427 61 S N -0.600 115.035 115.700 -0.109 0.000 2.624 61 S HA 0.137 4.606 4.470 -0.002 0.000 0.263 61 S C 1.445 176.077 174.600 0.053 0.000 1.287 61 S CA -0.532 57.642 58.200 -0.044 0.000 0.990 61 S CB 0.354 63.488 63.200 -0.108 0.000 0.950 61 S HN 0.449 nan 8.310 nan 0.000 0.561 62 I N 0.578 121.192 120.570 0.073 0.000 2.361 62 I HA -0.166 4.003 4.170 -0.002 0.000 0.251 62 I C 1.811 177.943 176.117 0.025 0.000 1.133 62 I CA 0.979 62.355 61.300 0.126 0.000 1.413 62 I CB -0.337 37.760 38.000 0.162 0.000 1.073 62 I HN 0.630 nan 8.210 nan 0.000 0.424 63 I N 0.140 120.725 120.570 0.025 0.000 2.179 63 I HA -0.314 3.855 4.170 -0.002 0.000 0.242 63 I C 2.491 178.618 176.117 0.016 0.000 1.088 63 I CA 1.920 63.222 61.300 0.004 0.000 1.357 63 I CB -1.633 36.396 38.000 0.048 0.000 1.051 63 I HN 0.375 nan 8.210 nan 0.000 0.409 64 H N 0.533 119.540 119.070 -0.105 0.000 2.387 64 H HA -0.066 4.489 4.556 -0.002 0.000 0.299 64 H C 2.242 177.480 175.328 -0.150 0.000 1.090 64 H CA 1.184 57.148 56.048 -0.139 0.000 1.332 64 H CB 0.376 30.052 29.762 -0.143 0.000 1.386 64 H HN 0.324 nan 8.280 nan 0.000 0.516 65 A N 1.083 123.940 122.820 0.061 0.000 1.972 65 A HA -0.176 4.143 4.320 -0.002 0.000 0.219 65 A C 2.259 179.779 177.584 -0.107 0.000 1.169 65 A CA 1.523 53.657 52.037 0.160 0.000 0.635 65 A CB -0.274 18.925 19.000 0.333 0.000 0.810 65 A HN 0.283 nan 8.150 nan 0.000 0.446 66 K N -0.638 119.472 120.400 -0.483 0.000 2.076 66 K HA -0.032 4.287 4.320 -0.002 0.000 0.204 66 K C 2.284 178.713 176.600 -0.286 0.000 1.051 66 K CA 0.782 56.585 56.287 -0.806 0.000 0.949 66 K CB -0.138 31.776 32.500 -0.976 0.000 0.726 66 K HN 0.387 nan 8.250 nan 0.000 0.443 67 R N -0.078 120.298 120.500 -0.207 0.000 2.091 67 R HA -0.111 4.228 4.340 -0.002 0.000 0.238 67 R C 2.243 178.460 176.300 -0.139 0.000 1.136 67 R CA 2.025 58.031 56.100 -0.156 0.000 0.959 67 R CB -0.450 29.723 30.300 -0.213 0.000 0.856 67 R HN 0.250 nan 8.270 nan 0.000 0.437 68 T N 0.244 114.711 114.554 -0.144 0.000 2.674 68 T HA -0.220 4.129 4.350 -0.002 0.000 0.265 68 T C 1.452 176.158 174.700 0.011 0.000 1.039 68 T CA 1.580 63.612 62.100 -0.114 0.000 1.150 68 T CB -0.497 68.267 68.868 -0.174 0.000 0.864 68 T HN 0.294 nan 8.240 nan 0.000 0.427 69 Y N 2.284 122.563 120.300 -0.034 0.000 2.097 69 Y HA -0.177 4.372 4.550 -0.001 0.000 0.282 69 Y C 2.701 178.514 175.900 -0.146 0.000 1.152 69 Y CA 1.669 59.742 58.100 -0.046 0.000 1.136 69 Y CB -0.411 38.031 38.460 -0.031 0.000 0.975 69 Y HN -0.008 nan 8.280 nan 0.000 0.498 70 R N 0.399 120.811 120.500 -0.146 0.000 2.094 70 R HA -0.285 4.054 4.340 -0.002 0.000 0.239 70 R C 2.401 178.631 176.300 -0.117 0.000 1.137 70 R CA 2.298 58.359 56.100 -0.066 0.000 0.943 70 R CB -0.577 29.804 30.300 0.136 0.000 0.850 70 R HN 0.595 nan 8.270 nan 0.000 0.433 71 E N -0.090 120.040 120.200 -0.117 0.000 2.153 71 E HA -0.207 4.142 4.350 -0.002 0.000 0.194 71 E C 1.950 178.455 176.600 -0.157 0.000 0.988 71 E CA 1.099 57.419 56.400 -0.133 0.000 0.811 71 E CB -0.064 29.555 29.700 -0.136 0.000 0.746 71 E HN 0.302 nan 8.360 nan 0.000 0.466 72 L N 1.008 122.128 121.223 -0.171 0.000 2.072 72 L HA -0.064 4.275 4.340 -0.002 0.000 0.205 72 L C 2.166 178.934 176.870 -0.171 0.000 1.079 72 L CA 1.516 56.263 54.840 -0.155 0.000 0.752 72 L CB -0.417 41.584 42.059 -0.097 0.000 0.906 72 L HN 0.007 nan 8.230 nan 0.000 0.436 73 R N -0.405 119.915 120.500 -0.300 0.000 2.073 73 R HA -0.132 4.206 4.340 -0.002 0.000 0.234 73 R C 2.212 178.523 176.300 0.017 0.000 1.134 73 R CA 1.699 57.672 56.100 -0.213 0.000 0.952 73 R CB -1.317 28.695 30.300 -0.479 0.000 0.850 73 R HN 0.384 nan 8.270 nan 0.000 0.433 74 L N 1.060 122.256 121.223 -0.045 0.000 2.017 74 L HA -0.108 4.231 4.340 -0.002 0.000 0.208 74 L C 2.209 178.947 176.870 -0.220 0.000 1.073 74 L CA 1.589 56.314 54.840 -0.191 0.000 0.745 74 L CB -0.534 41.363 42.059 -0.269 0.000 0.894 74 L HN 0.083 nan 8.230 nan 0.000 0.432 75 L N -0.746 120.368 121.223 -0.181 0.000 2.141 75 L HA -0.196 4.143 4.340 -0.002 0.000 0.209 75 L C 2.493 179.339 176.870 -0.040 0.000 1.094 75 L CA 1.201 55.955 54.840 -0.143 0.000 0.763 75 L CB -0.522 41.456 42.059 -0.135 0.000 0.908 75 L HN 0.254 nan 8.230 nan 0.000 0.437 76 K N -1.278 119.129 120.400 0.012 0.000 2.288 76 K HA -0.172 4.147 4.320 -0.002 0.000 0.201 76 K C 1.922 178.618 176.600 0.162 0.000 1.048 76 K CA 0.825 57.186 56.287 0.123 0.000 0.956 76 K CB -0.020 32.568 32.500 0.145 0.000 0.746 76 K HN 0.267 nan 8.250 nan 0.000 0.461 77 H N 0.103 119.181 119.070 0.014 0.000 2.399 77 H HA 0.136 4.691 4.556 -0.002 0.000 0.300 77 H C 0.221 175.584 175.328 0.058 0.000 1.048 77 H CA 0.461 56.527 56.048 0.030 0.000 1.370 77 H CB 0.298 30.022 29.762 -0.064 0.000 1.428 77 H HN -0.110 nan 8.280 nan 0.000 0.534 78 M N 2.155 121.764 119.600 0.014 0.000 2.574 78 M HA 0.016 4.495 4.480 -0.002 0.000 0.349 78 M C -0.623 175.711 176.300 0.056 0.000 1.735 78 M CA 1.045 56.397 55.300 0.086 0.000 1.178 78 M CB -0.569 32.036 32.600 0.008 0.000 2.070 78 M HN 0.224 nan 8.290 nan 0.000 0.460 79 K N 3.136 123.562 120.400 0.044 0.000 2.752 79 K HA 0.313 4.632 4.320 -0.002 0.000 0.199 79 K C -0.865 175.557 176.600 -0.296 0.000 1.069 79 K CA -0.374 55.871 56.287 -0.069 0.000 1.033 79 K CB 1.366 33.849 32.500 -0.029 0.000 1.229 79 K HN 0.566 nan 8.250 nan 0.000 0.572 80 H N 1.029 119.818 119.070 -0.468 0.000 3.038 80 H HA 0.126 4.681 4.556 -0.002 0.000 0.362 80 H C -0.001 175.156 175.328 -0.285 0.000 1.167 80 H CA -0.341 55.351 56.048 -0.594 0.000 1.197 80 H CB 1.624 30.674 29.762 -1.188 0.000 1.840 80 H HN 0.410 nan 8.280 nan 0.000 0.540 81 E N 2.121 122.010 120.200 -0.519 0.000 2.209 81 E HA -0.173 4.176 4.350 -0.002 0.000 0.196 81 E C 0.295 176.863 176.600 -0.052 0.000 0.993 81 E CA 1.425 57.676 56.400 -0.248 0.000 0.819 81 E CB 0.124 29.651 29.700 -0.288 0.000 0.745 81 E HN 0.520 nan 8.360 nan 0.000 0.477 82 N N -0.101 118.730 118.700 0.219 0.000 2.251 82 N HA 0.095 4.834 4.740 -0.002 0.000 0.217 82 N C -1.219 174.336 175.510 0.075 0.000 1.124 82 N CA -0.210 52.913 53.050 0.122 0.000 0.843 82 N CB 1.166 39.705 38.487 0.086 0.000 1.024 82 N HN -0.152 nan 8.380 nan 0.000 0.501 83 V N 1.028 121.010 119.914 0.115 0.000 2.841 83 V HA 0.361 4.480 4.120 -0.002 0.000 0.310 83 V C -0.231 175.943 176.094 0.134 0.000 1.090 83 V CA -0.896 61.487 62.300 0.140 0.000 0.930 83 V CB 2.634 34.568 31.823 0.184 0.000 1.014 83 V HN 0.079 nan 8.190 nan 0.000 0.425 84 I N 3.387 124.061 120.570 0.175 0.000 2.396 84 I HA 0.437 4.605 4.170 -0.002 0.000 0.289 84 I C 1.100 177.291 176.117 0.124 0.000 1.056 84 I CA 0.573 61.971 61.300 0.163 0.000 1.365 84 I CB 1.043 39.141 38.000 0.163 0.000 1.407 84 I HN 0.823 nan 8.210 nan 0.000 0.509 85 G N 6.130 115.002 108.800 0.120 0.000 2.606 85 G HA2 0.515 4.474 3.960 -0.002 0.000 0.262 85 G HA3 0.515 4.474 3.960 -0.002 0.000 0.262 85 G C -1.108 173.811 174.900 0.031 0.000 1.394 85 G CA -0.578 44.561 45.100 0.064 0.000 1.044 85 G HN 0.386 nan 8.290 nan 0.000 0.553 86 L N 0.033 121.276 121.223 0.033 0.000 2.296 86 L HA 0.483 4.822 4.340 -0.002 0.000 0.286 86 L C 0.734 177.632 176.870 0.047 0.000 1.023 86 L CA -0.346 54.481 54.840 -0.022 0.000 0.812 86 L CB 1.372 43.384 42.059 -0.078 0.000 1.223 86 L HN 0.469 nan 8.230 nan 0.000 0.421 87 L N 2.522 123.722 121.223 -0.039 0.000 2.249 87 L HA 0.298 4.637 4.340 -0.002 0.000 0.207 87 L C -0.093 176.866 176.870 0.148 0.000 1.090 87 L CA 0.427 55.291 54.840 0.041 0.000 0.802 87 L CB 0.056 42.062 42.059 -0.088 0.000 0.947 87 L HN 0.671 nan 8.230 nan 0.000 0.453 88 D N -1.984 118.337 120.400 -0.131 0.000 2.683 88 D HA 0.413 5.052 4.640 -0.002 0.000 0.246 88 D C -1.708 174.303 176.300 -0.481 0.000 1.238 88 D CA -0.215 53.643 54.000 -0.237 0.000 0.759 88 D CB 2.440 43.371 40.800 0.219 0.000 1.349 88 D HN -0.267 nan 8.370 nan 0.000 0.426 89 V N 2.627 122.247 119.914 -0.490 0.000 2.891 89 V HA 0.912 5.031 4.120 -0.002 0.000 0.304 89 V C -1.789 174.278 176.094 -0.045 0.000 1.171 89 V CA -0.434 61.633 62.300 -0.387 0.000 0.943 89 V CB 1.218 32.773 31.823 -0.447 0.000 1.037 89 V HN 0.611 nan 8.190 nan 0.000 0.427 90 F N 2.370 122.380 119.950 0.100 0.000 2.779 90 F HA 0.939 5.464 4.527 -0.002 0.000 0.316 90 F C -0.819 175.200 175.800 0.366 0.000 1.164 90 F CA -0.396 57.737 58.000 0.223 0.000 0.924 90 F CB 1.540 40.674 39.000 0.223 0.000 1.348 90 F HN 0.681 nan 8.300 nan 0.000 0.467 91 T N 0.818 115.853 114.554 0.801 0.000 3.012 91 T HA 0.465 4.814 4.350 -0.002 0.000 0.330 91 T C -2.553 172.342 174.700 0.325 0.000 1.321 91 T CA -1.343 61.152 62.100 0.659 0.000 1.067 91 T CB 1.987 71.248 68.868 0.655 0.000 1.235 91 T HN 0.570 nan 8.240 nan 0.000 0.479 92 P HA 0.170 nan 4.420 nan 0.000 0.223 92 P C 0.606 177.748 177.300 -0.264 0.000 1.151 92 P CA 0.167 62.897 63.100 -0.617 0.000 0.787 92 P CB -0.194 31.254 31.700 -0.420 0.000 0.788 93 A N 1.017 123.859 122.820 0.036 0.000 2.555 93 A HA 0.028 4.347 4.320 -0.002 0.000 0.233 93 A C 1.094 178.732 177.584 0.090 0.000 1.060 93 A CA 0.218 52.313 52.037 0.097 0.000 0.759 93 A CB -0.114 19.038 19.000 0.253 0.000 0.995 93 A HN 0.103 nan 8.150 nan 0.000 0.506 94 R N 0.139 120.675 120.500 0.061 0.000 2.437 94 R HA 0.223 4.562 4.340 -0.002 0.000 0.257 94 R C -0.180 176.181 176.300 0.101 0.000 0.927 94 R CA 0.747 56.892 56.100 0.076 0.000 1.078 94 R CB 0.300 30.622 30.300 0.036 0.000 1.161 94 R HN 0.875 nan 8.270 nan 0.000 0.529 95 S N -1.698 114.040 115.700 0.063 0.000 2.595 95 S HA 0.102 4.571 4.470 -0.002 0.000 0.270 95 S C 0.112 174.486 174.600 -0.377 0.000 1.145 95 S CA -0.918 57.264 58.200 -0.030 0.000 0.825 95 S CB 0.818 64.001 63.200 -0.029 0.000 1.107 95 S HN -0.012 nan 8.310 nan 0.000 0.461 96 L N 1.448 122.272 121.223 -0.665 0.000 2.079 96 L HA 0.033 4.372 4.340 -0.002 0.000 0.210 96 L C 2.198 178.869 176.870 -0.330 0.000 1.081 96 L CA 2.293 56.618 54.840 -0.858 0.000 0.752 96 L CB -1.234 40.504 42.059 -0.534 0.000 0.896 96 L HN 0.868 nan 8.230 nan 0.000 0.433 97 E N 0.149 120.232 120.200 -0.195 0.000 2.070 97 E HA -0.236 4.113 4.350 -0.002 0.000 0.197 97 E C 2.152 178.713 176.600 -0.065 0.000 1.004 97 E CA 1.981 58.321 56.400 -0.101 0.000 0.805 97 E CB -0.255 29.404 29.700 -0.067 0.000 0.744 97 E HN 0.649 nan 8.360 nan 0.000 0.451 98 E N -0.529 119.643 120.200 -0.048 0.000 2.170 98 E HA -0.026 4.323 4.350 -0.002 0.000 0.191 98 E C 0.031 176.665 176.600 0.055 0.000 0.981 98 E CA -0.308 56.092 56.400 0.001 0.000 0.830 98 E CB -0.085 29.623 29.700 0.013 0.000 0.775 98 E HN 0.132 nan 8.360 nan 0.000 0.470 99 F N 2.371 122.229 119.950 -0.154 0.000 2.433 99 F HA -0.140 4.385 4.527 -0.002 0.000 0.398 99 F C 0.760 176.563 175.800 0.004 0.000 1.002 99 F CA 0.507 58.450 58.000 -0.095 0.000 1.053 99 F CB 0.020 38.837 39.000 -0.304 0.000 0.928 99 F HN -0.078 nan 8.300 nan 0.000 0.529 100 N N 2.551 121.128 118.700 -0.206 0.000 2.028 100 N HA 0.011 4.750 4.740 -0.002 0.000 0.230 100 N C -0.960 174.425 175.510 -0.208 0.000 1.354 100 N CA 0.013 52.964 53.050 -0.164 0.000 0.855 100 N CB 0.566 39.017 38.487 -0.061 0.000 1.111 100 N HN 0.469 nan 8.380 nan 0.000 0.480 101 D N 0.721 121.004 120.400 -0.195 0.000 2.481 101 D HA 0.443 5.082 4.640 -0.002 0.000 0.244 101 D C -0.589 175.637 176.300 -0.124 0.000 1.057 101 D CA -0.287 53.575 54.000 -0.230 0.000 0.848 101 D CB 3.393 44.097 40.800 -0.160 0.000 1.388 101 D HN -0.313 nan 8.370 nan 0.000 0.475 102 V N 2.344 122.067 119.914 -0.319 0.000 2.638 102 V HA 0.373 4.492 4.120 -0.002 0.000 0.306 102 V C -1.212 174.606 176.094 -0.460 0.000 1.052 102 V CA -0.765 61.442 62.300 -0.155 0.000 0.885 102 V CB 1.416 33.185 31.823 -0.090 0.000 0.999 102 V HN 0.403 nan 8.190 nan 0.000 0.424 103 Y N 4.466 124.501 120.300 -0.442 0.000 2.364 103 Y HA 0.718 5.267 4.550 -0.002 0.000 0.340 103 Y C -0.129 175.354 175.900 -0.694 0.000 0.975 103 Y CA -0.734 56.949 58.100 -0.696 0.000 1.089 103 Y CB 1.782 39.530 38.460 -1.186 0.000 1.192 103 Y HN 0.438 nan 8.280 nan 0.000 0.454 104 L N 4.052 125.069 121.223 -0.344 0.000 2.329 104 L HA 0.779 5.118 4.340 -0.002 0.000 0.279 104 L C -0.903 175.821 176.870 -0.244 0.000 1.014 104 L CA -1.083 53.579 54.840 -0.297 0.000 0.814 104 L CB 1.643 43.569 42.059 -0.220 0.000 1.257 104 L HN 0.304 nan 8.230 nan 0.000 0.424 105 V N 1.337 121.107 119.914 -0.239 0.000 2.487 105 V HA 0.704 4.823 4.120 -0.002 0.000 0.298 105 V C 0.053 176.073 176.094 -0.124 0.000 1.028 105 V CA -0.354 61.847 62.300 -0.165 0.000 0.860 105 V CB 1.972 33.697 31.823 -0.163 0.000 0.991 105 V HN 0.959 nan 8.190 nan 0.000 0.427 106 T N 0.228 114.732 114.554 -0.083 0.000 2.778 106 T HA 0.528 4.877 4.350 -0.002 0.000 0.293 106 T C -0.359 174.306 174.700 -0.057 0.000 1.144 106 T CA -0.812 61.239 62.100 -0.083 0.000 1.010 106 T CB 1.450 70.309 68.868 -0.014 0.000 1.325 106 T HN 0.538 nan 8.240 nan 0.000 0.515 107 H N -0.059 119.035 119.070 0.041 0.000 2.836 107 H HA 0.293 4.848 4.556 -0.002 0.000 0.368 107 H C -0.240 175.115 175.328 0.045 0.000 1.164 107 H CA -0.125 55.951 56.048 0.047 0.000 1.425 107 H CB 0.712 30.498 29.762 0.040 0.000 1.414 107 H HN 0.469 nan 8.280 nan 0.000 0.614 108 L N 3.003 124.337 121.223 0.185 0.000 2.275 108 L HA 0.224 4.562 4.340 -0.002 0.000 0.288 108 L C 0.166 177.094 176.870 0.098 0.000 1.046 108 L CA -0.293 54.618 54.840 0.118 0.000 0.805 108 L CB 0.812 42.937 42.059 0.110 0.000 1.193 108 L HN 0.568 nan 8.230 nan 0.000 0.426 109 M N 4.653 124.295 119.600 0.071 0.000 2.188 109 M HA 0.306 4.785 4.480 -0.002 0.000 0.354 109 M C 0.911 177.232 176.300 0.036 0.000 1.342 109 M CA 0.602 55.930 55.300 0.046 0.000 1.117 109 M CB 1.127 33.748 32.600 0.035 0.000 1.670 109 M HN 0.823 nan 8.290 nan 0.000 0.466 110 G N 3.785 112.600 108.800 0.026 0.000 2.417 110 G HA2 0.379 4.338 3.960 -0.002 0.000 0.212 110 G HA3 0.379 4.338 3.960 -0.002 0.000 0.212 110 G C -0.050 174.857 174.900 0.011 0.000 1.187 110 G CA 0.506 45.619 45.100 0.021 0.000 0.804 110 G HN 0.847 nan 8.290 nan 0.000 0.534 111 A N 0.597 123.417 122.820 0.001 0.000 2.459 111 A HA 0.586 4.905 4.320 -0.002 0.000 0.296 111 A C -0.974 176.600 177.584 -0.017 0.000 1.039 111 A CA -0.458 51.576 52.037 -0.006 0.000 0.698 111 A CB 1.428 20.422 19.000 -0.009 0.000 1.261 111 A HN 0.292 nan 8.150 nan 0.000 0.405 112 D N 1.170 121.559 120.400 -0.019 0.000 2.447 112 D HA 0.259 4.898 4.640 -0.002 0.000 0.265 112 D C 0.984 177.257 176.300 -0.045 0.000 1.250 112 D CA -0.611 53.368 54.000 -0.035 0.000 1.046 112 D CB 0.306 41.086 40.800 -0.033 0.000 1.095 112 D HN 0.254 nan 8.370 nan 0.000 0.555 113 L N -0.022 121.161 121.223 -0.066 0.000 2.201 113 L HA -0.084 4.255 4.340 -0.002 0.000 0.212 113 L C 1.616 178.458 176.870 -0.046 0.000 1.105 113 L CA 1.507 56.305 54.840 -0.071 0.000 0.775 113 L CB -0.838 41.158 42.059 -0.105 0.000 0.913 113 L HN 0.330 nan 8.230 nan 0.000 0.440 114 N N 0.183 118.862 118.700 -0.034 0.000 2.058 114 N HA -0.202 4.537 4.740 -0.002 0.000 0.191 114 N C 1.543 177.053 175.510 0.000 0.000 1.037 114 N CA 1.819 54.867 53.050 -0.003 0.000 0.848 114 N CB -0.539 37.956 38.487 0.014 0.000 1.021 114 N HN 0.511 nan 8.380 nan 0.000 0.422 115 N N 0.744 119.441 118.700 -0.005 0.000 2.096 115 N HA -0.150 4.589 4.740 -0.002 0.000 0.195 115 N C 1.588 177.093 175.510 -0.008 0.000 1.017 115 N CA 1.031 54.079 53.050 -0.003 0.000 0.870 115 N CB -0.020 38.463 38.487 -0.008 0.000 1.024 115 N HN 0.194 nan 8.380 nan 0.000 0.434 116 I N 0.192 120.750 120.570 -0.020 0.000 2.233 116 I HA -0.115 4.054 4.170 -0.002 0.000 0.243 116 I C 2.073 178.182 176.117 -0.014 0.000 1.093 116 I CA 0.917 62.201 61.300 -0.028 0.000 1.380 116 I CB -1.193 36.778 38.000 -0.049 0.000 1.067 116 I HN -0.007 nan 8.210 nan 0.000 0.413 117 V N 1.975 121.885 119.914 -0.007 0.000 2.720 117 V HA -0.224 3.894 4.120 -0.002 0.000 0.256 117 V C 2.160 178.264 176.094 0.017 0.000 1.082 117 V CA 1.849 64.155 62.300 0.009 0.000 1.101 117 V CB -1.017 30.816 31.823 0.015 0.000 0.693 117 V HN 0.550 nan 8.190 nan 0.000 0.479 118 K N -1.716 118.693 120.400 0.016 0.000 2.374 118 K HA 0.125 4.444 4.320 -0.002 0.000 0.196 118 K C 1.187 177.797 176.600 0.017 0.000 1.023 118 K CA 0.621 56.920 56.287 0.020 0.000 1.103 118 K CB 0.132 32.646 32.500 0.024 0.000 0.848 118 K HN 0.429 nan 8.250 nan 0.000 0.528 119 C N -0.249 119.059 119.300 0.012 0.000 3.204 119 C HA 0.310 4.769 4.460 -0.002 0.000 0.159 119 C C 1.306 176.306 174.990 0.018 0.000 2.514 119 C CA 0.359 59.384 59.018 0.012 0.000 1.044 119 C CB -0.224 27.519 27.740 0.005 0.000 1.400 119 C HN 0.613 nan 8.230 nan 0.000 0.704 120 Q N 1.107 120.914 119.800 0.011 0.000 2.540 120 Q HA 0.424 4.763 4.340 -0.002 0.000 0.256 120 Q C -0.177 175.854 176.000 0.051 0.000 1.084 120 Q CA 0.823 56.643 55.803 0.028 0.000 0.956 120 Q CB -0.474 28.261 28.738 -0.005 0.000 1.303 120 Q HN 0.821 nan 8.270 nan 0.000 0.509 121 K N 2.152 122.603 120.400 0.084 0.000 2.357 121 K HA 0.581 4.899 4.320 -0.002 0.000 0.251 121 K C -0.006 176.684 176.600 0.149 0.000 1.069 121 K CA -0.493 55.846 56.287 0.086 0.000 0.994 121 K CB -0.356 32.184 32.500 0.067 0.000 1.411 121 K HN 0.674 nan 8.250 nan 0.000 0.450 122 L N 3.077 124.396 121.223 0.160 0.000 2.601 122 L HA 0.037 4.376 4.340 -0.002 0.000 0.277 122 L C 1.516 178.506 176.870 0.199 0.000 1.219 122 L CA -0.005 54.998 54.840 0.271 0.000 0.915 122 L CB -0.035 42.127 42.059 0.171 0.000 1.160 122 L HN 0.876 nan 8.230 nan 0.000 0.494 123 T N -1.954 112.701 114.554 0.168 0.000 2.824 123 T HA 0.084 4.433 4.350 -0.002 0.000 0.277 123 T C 0.762 175.485 174.700 0.038 0.000 0.975 123 T CA -0.588 61.500 62.100 -0.020 0.000 0.966 123 T CB 1.539 70.262 68.868 -0.242 0.000 1.054 123 T HN 0.612 nan 8.240 nan 0.000 0.533 124 D N -0.286 120.138 120.400 0.040 0.000 2.144 124 D HA -0.134 4.505 4.640 -0.002 0.000 0.199 124 D C 1.636 178.005 176.300 0.116 0.000 0.984 124 D CA 1.338 55.407 54.000 0.115 0.000 0.834 124 D CB -0.363 40.511 40.800 0.124 0.000 0.955 124 D HN 0.741 nan 8.370 nan 0.000 0.465 125 D N -1.548 118.873 120.400 0.036 0.000 2.117 125 D HA -0.150 4.489 4.640 -0.002 0.000 0.197 125 D C 1.786 178.197 176.300 0.184 0.000 0.987 125 D CA 1.218 55.264 54.000 0.077 0.000 0.829 125 D CB -0.081 40.720 40.800 0.000 0.000 0.961 125 D HN 0.446 nan 8.370 nan 0.000 0.460 126 H N -1.106 118.042 119.070 0.130 0.000 2.319 126 H HA -0.101 4.454 4.556 -0.002 0.000 0.299 126 H C 2.242 177.649 175.328 0.131 0.000 1.092 126 H CA 1.172 57.303 56.048 0.138 0.000 1.302 126 H CB 0.091 29.912 29.762 0.098 0.000 1.373 126 H HN 0.021 nan 8.280 nan 0.000 0.497 127 V N 1.044 121.115 119.914 0.260 0.000 2.287 127 V HA -0.314 3.805 4.120 -0.002 0.000 0.248 127 V C 2.275 178.503 176.094 0.224 0.000 1.053 127 V CA 1.854 64.281 62.300 0.212 0.000 1.027 127 V CB -0.603 31.356 31.823 0.226 0.000 0.646 127 V HN 0.471 nan 8.190 nan 0.000 0.447 128 Q N -1.145 118.753 119.800 0.163 0.000 2.014 128 Q HA -0.262 4.077 4.340 -0.002 0.000 0.207 128 Q C 2.216 178.328 176.000 0.187 0.000 0.993 128 Q CA 2.392 58.239 55.803 0.074 0.000 0.850 128 Q CB -0.351 28.384 28.738 -0.006 0.000 0.916 128 Q HN 0.620 nan 8.270 nan 0.000 0.417 129 F N 0.989 120.811 119.950 -0.214 0.000 2.134 129 F HA -0.179 4.347 4.527 -0.002 0.000 0.299 129 F C 1.819 177.507 175.800 -0.187 0.000 1.097 129 F CA 1.246 58.923 58.000 -0.538 0.000 1.264 129 F CB -0.288 38.410 39.000 -0.504 0.000 1.001 129 F HN -0.005 nan 8.300 nan 0.000 0.479 130 L N -0.526 120.613 121.223 -0.140 0.000 2.027 130 L HA -0.237 4.102 4.340 -0.002 0.000 0.206 130 L C 2.430 179.197 176.870 -0.171 0.000 1.074 130 L CA 0.753 55.460 54.840 -0.222 0.000 0.745 130 L CB -0.653 41.353 42.059 -0.087 0.000 0.898 130 L HN 0.079 nan 8.230 nan 0.000 0.433 131 I N -1.033 119.532 120.570 -0.008 0.000 2.394 131 I HA -0.290 3.879 4.170 -0.002 0.000 0.251 131 I C 2.466 178.498 176.117 -0.141 0.000 1.136 131 I CA 1.440 62.756 61.300 0.027 0.000 1.425 131 I CB -1.073 37.089 38.000 0.271 0.000 1.079 131 I HN 0.282 nan 8.210 nan 0.000 0.425 132 Y N 2.286 122.384 120.300 -0.336 0.000 2.181 132 Y HA -0.262 4.287 4.550 -0.002 0.000 0.288 132 Y C 2.670 178.290 175.900 -0.466 0.000 1.146 132 Y CA 1.820 59.491 58.100 -0.715 0.000 1.164 132 Y CB -0.285 37.867 38.460 -0.515 0.000 0.982 132 Y HN 0.219 nan 8.280 nan 0.000 0.515 133 Q N 0.013 119.554 119.800 -0.431 0.000 2.084 133 Q HA -0.158 4.181 4.340 -0.002 0.000 0.202 133 Q C 2.342 178.107 176.000 -0.391 0.000 0.978 133 Q CA 2.032 57.571 55.803 -0.441 0.000 0.844 133 Q CB -0.179 28.285 28.738 -0.456 0.000 0.898 133 Q HN 0.565 nan 8.270 nan 0.000 0.426 134 I N 0.612 120.977 120.570 -0.342 0.000 2.226 134 I HA -0.288 3.881 4.170 -0.002 0.000 0.245 134 I C 2.111 178.030 176.117 -0.331 0.000 1.100 134 I CA 1.137 62.259 61.300 -0.296 0.000 1.374 134 I CB -0.236 37.618 38.000 -0.243 0.000 1.057 134 I HN 0.217 nan 8.210 nan 0.000 0.413 135 L N 0.165 121.158 121.223 -0.383 0.000 2.201 135 L HA -0.153 4.186 4.340 -0.002 0.000 0.212 135 L C 2.713 179.333 176.870 -0.415 0.000 1.105 135 L CA 0.919 55.532 54.840 -0.378 0.000 0.775 135 L CB -0.465 41.355 42.059 -0.398 0.000 0.913 135 L HN 0.221 nan 8.230 nan 0.000 0.440 136 R N 0.194 120.376 120.500 -0.531 0.000 2.073 136 R HA -0.098 4.241 4.340 -0.002 0.000 0.229 136 R C 2.232 178.322 176.300 -0.349 0.000 1.120 136 R CA 1.361 57.213 56.100 -0.414 0.000 0.967 136 R CB -0.339 29.682 30.300 -0.464 0.000 0.862 136 R HN 0.314 nan 8.270 nan 0.000 0.436 137 G N 0.551 109.111 108.800 -0.401 0.000 2.421 137 G HA2 -0.161 3.798 3.960 -0.002 0.000 0.217 137 G HA3 -0.161 3.798 3.960 -0.002 0.000 0.217 137 G C 1.413 176.114 174.900 -0.332 0.000 1.143 137 G CA 0.204 44.989 45.100 -0.526 0.000 0.784 137 G HN 0.206 nan 8.290 nan 0.000 0.541 138 L N 0.099 121.119 121.223 -0.339 0.000 2.056 138 L HA -0.025 4.314 4.340 -0.002 0.000 0.207 138 L C 2.852 179.467 176.870 -0.424 0.000 1.078 138 L CA 1.393 55.964 54.840 -0.449 0.000 0.749 138 L CB -0.261 41.483 42.059 -0.526 0.000 0.901 138 L HN 0.237 nan 8.230 nan 0.000 0.433 139 K N -0.228 120.015 120.400 -0.261 0.000 2.032 139 K HA -0.297 4.022 4.320 -0.002 0.000 0.209 139 K C 2.306 178.881 176.600 -0.042 0.000 1.048 139 K CA 2.079 58.300 56.287 -0.110 0.000 0.927 139 K CB -0.410 32.056 32.500 -0.056 0.000 0.712 139 K HN 0.190 nan 8.250 nan 0.000 0.441 140 Y N 1.457 121.641 120.300 -0.194 0.000 2.165 140 Y HA -0.212 4.337 4.550 -0.002 0.000 0.286 140 Y C 1.835 177.704 175.900 -0.052 0.000 1.155 140 Y CA 1.817 59.838 58.100 -0.132 0.000 1.164 140 Y CB -0.164 38.094 38.460 -0.336 0.000 0.978 140 Y HN 0.052 nan 8.280 nan 0.000 0.513 141 I N -0.503 120.013 120.570 -0.090 0.000 2.163 141 I HA -0.339 3.830 4.170 -0.002 0.000 0.240 141 I C 2.225 178.383 176.117 0.070 0.000 1.081 141 I CA 1.784 63.071 61.300 -0.022 0.000 1.353 141 I CB -0.682 37.409 38.000 0.151 0.000 1.054 141 I HN 0.307 nan 8.210 nan 0.000 0.407 142 H N 0.105 119.168 119.070 -0.012 0.000 2.489 142 H HA -0.101 4.454 4.556 -0.002 0.000 0.293 142 H C 2.360 177.684 175.328 -0.006 0.000 1.066 142 H CA 1.060 57.115 56.048 0.012 0.000 1.305 142 H CB 0.104 29.880 29.762 0.024 0.000 1.386 142 H HN 0.397 nan 8.280 nan 0.000 0.551 143 S N 0.170 115.910 115.700 0.068 0.000 2.489 143 S HA 0.062 4.531 4.470 -0.002 0.000 0.228 143 S C 1.950 176.553 174.600 0.006 0.000 0.995 143 S CA 0.419 58.634 58.200 0.025 0.000 0.934 143 S CB 0.319 63.516 63.200 -0.006 0.000 0.771 143 S HN 0.390 nan 8.310 nan 0.000 0.522 144 A N 1.052 123.858 122.820 -0.023 0.000 2.345 144 A HA 0.290 4.609 4.320 -0.002 0.000 0.225 144 A C 0.438 178.082 177.584 0.101 0.000 1.243 144 A CA 0.014 52.073 52.037 0.037 0.000 0.875 144 A CB -0.293 18.695 19.000 -0.020 0.000 0.929 144 A HN 0.301 nan 8.150 nan 0.000 0.502 145 D N -0.619 119.833 120.400 0.086 0.000 2.772 145 D HA -0.143 4.496 4.640 -0.002 0.000 0.233 145 D C -0.395 175.978 176.300 0.122 0.000 1.143 145 D CA 0.958 55.013 54.000 0.091 0.000 0.700 145 D CB -1.098 39.749 40.800 0.078 0.000 1.076 145 D HN 0.543 nan 8.370 nan 0.000 0.430 146 I N 0.838 121.488 120.570 0.134 0.000 2.412 146 I HA 0.357 4.526 4.170 -0.002 0.000 0.296 146 I C 0.788 177.049 176.117 0.241 0.000 0.987 146 I CA -0.720 60.675 61.300 0.160 0.000 1.180 146 I CB 1.562 39.605 38.000 0.073 0.000 1.340 146 I HN -0.135 nan 8.210 nan 0.000 0.455 147 I N 5.311 126.020 120.570 0.231 0.000 2.382 147 I HA 0.167 4.336 4.170 -0.002 0.000 0.286 147 I C 1.121 177.390 176.117 0.255 0.000 1.002 147 I CA -0.554 60.887 61.300 0.235 0.000 1.135 147 I CB 1.359 39.484 38.000 0.209 0.000 1.288 147 I HN 0.689 nan 8.210 nan 0.000 0.448 148 H N 8.378 127.527 119.070 0.132 0.000 2.389 148 H HA -0.119 4.436 4.556 -0.002 0.000 0.299 148 H C 1.156 176.458 175.328 -0.043 0.000 1.081 148 H CA 1.855 57.859 56.048 -0.073 0.000 1.345 148 H CB 0.405 29.919 29.762 -0.414 0.000 1.393 148 H HN 0.693 nan 8.280 nan 0.000 0.520 149 R N 0.587 121.189 120.500 0.171 0.000 3.701 149 R HA -0.239 4.100 4.340 -0.002 0.000 0.276 149 R C -0.827 175.526 176.300 0.090 0.000 1.150 149 R CA 1.561 57.681 56.100 0.033 0.000 0.763 149 R CB -2.522 27.691 30.300 -0.145 0.000 1.147 149 R HN 0.410 nan 8.270 nan 0.000 0.489 150 D N -0.199 120.379 120.400 0.297 0.000 3.120 150 D HA 0.257 4.896 4.640 -0.002 0.000 0.331 150 D C -0.470 175.885 176.300 0.093 0.000 1.595 150 D CA -0.411 53.719 54.000 0.217 0.000 0.771 150 D CB 0.367 41.304 40.800 0.230 0.000 1.274 150 D HN 0.276 nan 8.370 nan 0.000 0.503 151 L N 1.663 122.800 121.223 -0.143 0.000 2.410 151 L HA 0.358 4.697 4.340 -0.002 0.000 0.273 151 L C 0.171 176.878 176.870 -0.271 0.000 1.144 151 L CA 0.588 55.198 54.840 -0.383 0.000 0.863 151 L CB 0.536 42.370 42.059 -0.375 0.000 1.140 151 L HN 0.010 nan 8.230 nan 0.000 0.463 152 K N 3.457 123.647 120.400 -0.351 0.000 2.556 152 K HA 0.325 4.644 4.320 -0.002 0.000 0.274 152 K C -2.226 174.116 176.600 -0.429 0.000 0.966 152 K CA -1.609 54.357 56.287 -0.534 0.000 0.865 152 K CB 1.504 33.827 32.500 -0.296 0.000 1.444 152 K HN -0.006 nan 8.250 nan 0.000 0.433 153 P HA -0.259 nan 4.420 nan 0.000 0.217 153 P C 1.062 178.267 177.300 -0.158 0.000 1.151 153 P CA 1.624 64.568 63.100 -0.259 0.000 0.849 153 P CB 0.136 31.725 31.700 -0.185 0.000 0.787 154 S N -2.483 113.140 115.700 -0.128 0.000 2.603 154 S HA 0.008 4.477 4.470 -0.002 0.000 0.229 154 S C 1.269 175.835 174.600 -0.057 0.000 0.972 154 S CA 0.539 58.699 58.200 -0.067 0.000 0.935 154 S CB -0.868 62.310 63.200 -0.036 0.000 0.769 154 S HN 0.056 nan 8.310 nan 0.000 0.536 155 N N 1.061 119.704 118.700 -0.094 0.000 2.234 155 N HA 0.378 5.117 4.740 -0.002 0.000 0.227 155 N C -1.023 174.426 175.510 -0.102 0.000 1.151 155 N CA 0.031 53.042 53.050 -0.064 0.000 0.865 155 N CB 0.690 39.145 38.487 -0.053 0.000 1.066 155 N HN 0.444 nan 8.380 nan 0.000 0.515 156 L N 0.785 121.940 121.223 -0.113 0.000 2.377 156 L HA 0.612 4.951 4.340 -0.002 0.000 0.270 156 L C -0.170 176.650 176.870 -0.084 0.000 0.991 156 L CA -0.909 53.859 54.840 -0.121 0.000 0.851 156 L CB 1.730 43.691 42.059 -0.165 0.000 1.218 156 L HN -0.116 nan 8.230 nan 0.000 0.420 157 A N 3.748 126.533 122.820 -0.060 0.000 2.363 157 A HA 0.719 5.038 4.320 -0.002 0.000 0.270 157 A C -0.294 177.252 177.584 -0.064 0.000 1.121 157 A CA -0.287 51.724 52.037 -0.043 0.000 0.800 157 A CB 0.844 19.833 19.000 -0.017 0.000 1.052 157 A HN 0.434 nan 8.150 nan 0.000 0.493 158 V N 4.276 124.156 119.914 -0.056 0.000 2.524 158 V HA 0.255 4.374 4.120 -0.002 0.000 0.297 158 V C -0.290 175.781 176.094 -0.040 0.000 1.035 158 V CA -0.974 61.288 62.300 -0.063 0.000 0.867 158 V CB 1.475 33.253 31.823 -0.075 0.000 1.004 158 V HN 1.109 nan 8.190 nan 0.000 0.426 159 N N 3.482 122.163 118.700 -0.032 0.000 2.364 159 N HA 0.225 4.964 4.740 -0.002 0.000 0.264 159 N C 0.877 176.384 175.510 -0.004 0.000 1.263 159 N CA -0.499 52.543 53.050 -0.014 0.000 0.959 159 N CB 0.541 39.021 38.487 -0.012 0.000 1.204 159 N HN 0.451 nan 8.380 nan 0.000 0.550 160 E N -0.610 119.591 120.200 0.003 0.000 2.147 160 E HA -0.200 4.149 4.350 -0.002 0.000 0.199 160 E C 0.086 176.696 176.600 0.017 0.000 1.005 160 E CA 1.473 57.877 56.400 0.006 0.000 0.810 160 E CB -0.314 29.392 29.700 0.011 0.000 0.736 160 E HN 0.612 nan 8.360 nan 0.000 0.460 161 D N -0.691 119.729 120.400 0.035 0.000 2.328 161 D HA -0.004 4.634 4.640 -0.002 0.000 0.226 161 D C 0.679 177.057 176.300 0.131 0.000 1.066 161 D CA 0.058 54.098 54.000 0.066 0.000 0.861 161 D CB -0.214 40.628 40.800 0.069 0.000 0.912 161 D HN 0.113 nan 8.370 nan 0.000 0.521 162 C N 1.396 120.747 119.300 0.085 0.000 4.417 162 C HA -0.195 4.264 4.460 -0.002 0.000 0.284 162 C C 0.215 175.265 174.990 0.101 0.000 1.379 162 C CA -0.160 58.917 59.018 0.099 0.000 1.918 162 C CB -2.341 25.505 27.740 0.178 0.000 1.280 162 C HN 0.317 nan 8.230 nan 0.000 0.783 163 E N 0.439 120.676 120.200 0.062 0.000 2.259 163 E HA 0.477 4.826 4.350 -0.002 0.000 0.281 163 E C 0.006 176.529 176.600 -0.129 0.000 1.037 163 E CA -0.097 56.281 56.400 -0.037 0.000 0.854 163 E CB 1.186 30.900 29.700 0.024 0.000 1.051 163 E HN 0.645 nan 8.360 nan 0.000 0.409 164 L N 3.078 124.165 121.223 -0.226 0.000 2.325 164 L HA 0.478 4.817 4.340 -0.002 0.000 0.278 164 L C -0.945 175.838 176.870 -0.146 0.000 1.023 164 L CA -0.526 54.200 54.840 -0.190 0.000 0.811 164 L CB 0.873 42.785 42.059 -0.246 0.000 1.249 164 L HN 0.396 nan 8.230 nan 0.000 0.431 165 K N 5.214 125.552 120.400 -0.103 0.000 2.422 165 K HA 0.541 4.860 4.320 -0.002 0.000 0.251 165 K C -1.341 175.228 176.600 -0.051 0.000 0.933 165 K CA -0.646 55.606 56.287 -0.057 0.000 0.798 165 K CB 2.555 35.039 32.500 -0.027 0.000 1.238 165 K HN 0.525 nan 8.250 nan 0.000 0.428 166 I N 5.141 125.697 120.570 -0.024 0.000 2.331 166 I HA 0.335 4.504 4.170 -0.002 0.000 0.292 166 I C -0.098 176.092 176.117 0.122 0.000 0.998 166 I CA -0.572 60.702 61.300 -0.045 0.000 1.267 166 I CB 0.644 38.569 38.000 -0.124 0.000 1.386 166 I HN 0.475 nan 8.210 nan 0.000 0.476 167 L N 2.863 124.159 121.223 0.120 0.000 2.332 167 L HA 0.723 5.062 4.340 -0.002 0.000 0.242 167 L C -0.530 176.517 176.870 0.296 0.000 1.127 167 L CA -0.829 54.173 54.840 0.269 0.000 0.948 167 L CB 0.984 43.142 42.059 0.166 0.000 1.553 167 L HN 0.389 nan 8.230 nan 0.000 0.419 168 D N 0.459 121.023 120.400 0.274 0.000 2.904 168 D HA -0.205 4.434 4.640 -0.002 0.000 0.231 168 D C -0.684 175.693 176.300 0.128 0.000 1.185 168 D CA 0.719 54.827 54.000 0.180 0.000 0.783 168 D CB -0.644 40.221 40.800 0.108 0.000 0.961 168 D HN 0.430 nan 8.370 nan 0.000 0.409 169 F N 0.162 119.972 119.950 -0.234 0.000 2.485 169 F HA 0.394 4.920 4.527 -0.002 0.000 0.327 169 F C 2.058 177.614 175.800 -0.408 0.000 1.203 169 F CA 0.283 57.885 58.000 -0.663 0.000 1.295 169 F CB 0.470 39.214 39.000 -0.427 0.000 1.191 169 F HN 0.158 nan 8.300 nan 0.000 0.588 170 G N 2.014 110.657 108.800 -0.261 0.000 2.372 170 G HA2 0.389 4.348 3.960 -0.002 0.000 0.286 170 G HA3 0.389 4.348 3.960 -0.002 0.000 0.286 170 G C 0.189 175.072 174.900 -0.029 0.000 1.153 170 G CA -0.303 44.747 45.100 -0.084 0.000 0.985 170 G HN 0.680 nan 8.290 nan 0.000 0.429 171 L N 1.390 122.581 121.223 -0.053 0.000 2.817 171 L HA 0.345 4.684 4.340 -0.002 0.000 0.248 171 L C 1.573 178.403 176.870 -0.067 0.000 1.133 171 L CA 0.199 55.013 54.840 -0.043 0.000 0.935 171 L CB 0.178 42.200 42.059 -0.061 0.000 1.266 171 L HN 0.606 nan 8.230 nan 0.000 0.535 172 A N 0.699 123.457 122.820 -0.105 0.000 3.981 172 A HA 0.907 5.226 4.320 -0.002 0.000 0.153 172 A C -0.016 177.515 177.584 -0.088 0.000 1.090 172 A CA 0.124 52.092 52.037 -0.115 0.000 0.990 172 A CB 0.425 19.321 19.000 -0.174 0.000 1.553 172 A HN 0.050 nan 8.150 nan 0.000 0.696 173 R N 0.574 121.013 120.500 -0.101 0.000 2.921 173 R HA 0.464 4.803 4.340 -0.002 0.000 0.269 173 R C -0.601 175.680 176.300 -0.031 0.000 1.696 173 R CA -0.562 55.517 56.100 -0.035 0.000 1.161 173 R CB -0.971 29.333 30.300 0.006 0.000 1.337 173 R HN 0.795 nan 8.270 nan 0.000 0.496 174 H N 1.611 120.672 119.070 -0.014 0.000 3.201 174 H HA -0.055 4.500 4.556 -0.002 0.000 0.301 174 H C 1.008 176.332 175.328 -0.007 0.000 0.948 174 H CA 2.134 58.172 56.048 -0.017 0.000 1.369 174 H CB 0.717 30.463 29.762 -0.026 0.000 1.293 174 H HN 0.862 nan 8.280 nan 0.000 0.575 175 T N 0.474 115.091 114.554 0.106 0.000 2.856 175 T HA -0.025 4.323 4.350 -0.002 0.000 0.306 175 T C 1.167 175.908 174.700 0.068 0.000 1.062 175 T CA -0.870 61.268 62.100 0.062 0.000 1.083 175 T CB 0.871 69.761 68.868 0.038 0.000 0.984 175 T HN 0.391 nan 8.240 nan 0.000 0.542 176 D N 0.892 121.318 120.400 0.043 0.000 2.133 176 D HA -0.156 4.483 4.640 -0.002 0.000 0.192 176 D C 1.638 177.959 176.300 0.035 0.000 1.001 176 D CA 1.830 55.851 54.000 0.035 0.000 0.844 176 D CB -0.538 40.264 40.800 0.004 0.000 0.944 176 D HN 0.884 nan 8.370 nan 0.000 0.447 177 D N 0.331 120.746 120.400 0.025 0.000 2.123 177 D HA -0.168 4.471 4.640 -0.002 0.000 0.196 177 D C 1.751 178.063 176.300 0.020 0.000 0.992 177 D CA 1.102 55.114 54.000 0.020 0.000 0.833 177 D CB 0.141 40.950 40.800 0.015 0.000 0.954 177 D HN 0.033 nan 8.370 nan 0.000 0.455 178 E N -0.294 119.926 120.200 0.033 0.000 2.058 178 E HA -0.161 4.188 4.350 -0.002 0.000 0.194 178 E C 1.872 178.438 176.600 -0.056 0.000 0.997 178 E CA 0.865 57.276 56.400 0.018 0.000 0.801 178 E CB -0.276 29.498 29.700 0.124 0.000 0.746 178 E HN 0.470 nan 8.360 nan 0.000 0.450 179 M N 0.720 120.307 119.600 -0.022 0.000 2.561 179 M HA 0.054 4.533 4.480 -0.002 0.000 0.238 179 M C 0.344 176.697 176.300 0.089 0.000 1.131 179 M CA 0.410 55.690 55.300 -0.034 0.000 1.046 179 M CB -0.426 32.189 32.600 0.026 0.000 1.532 179 M HN -0.222 nan 8.290 nan 0.000 0.497 180 T N 1.014 115.613 114.554 0.075 0.000 2.856 180 T HA 0.550 4.899 4.350 -0.002 0.000 0.292 180 T C 0.850 175.591 174.700 0.069 0.000 0.980 180 T CA 0.596 62.756 62.100 0.100 0.000 1.091 180 T CB 1.421 70.317 68.868 0.046 0.000 0.936 180 T HN 0.652 nan 8.240 nan 0.000 0.503 181 G N 1.971 110.842 108.800 0.120 0.000 2.542 181 G HA2 -0.244 3.715 3.960 -0.002 0.000 0.235 181 G HA3 -0.244 3.715 3.960 -0.002 0.000 0.235 181 G C -0.720 174.300 174.900 0.200 0.000 1.286 181 G CA -0.454 44.731 45.100 0.142 0.000 0.904 181 G HN 0.751 nan 8.290 nan 0.000 0.577 182 Y N 1.764 122.121 120.300 0.096 0.000 2.632 182 Y HA 0.486 5.035 4.550 -0.002 0.000 0.336 182 Y C 0.784 176.695 175.900 0.019 0.000 1.237 182 Y CA -0.099 58.130 58.100 0.215 0.000 1.595 182 Y CB -0.088 38.513 38.460 0.235 0.000 1.508 182 Y HN 1.085 nan 8.280 nan 0.000 0.480 183 V N 1.263 120.881 119.914 -0.492 0.000 2.686 183 V HA 0.706 4.825 4.120 -0.002 0.000 0.306 183 V C 0.595 175.618 176.094 -1.784 0.000 1.065 183 V CA -0.468 61.285 62.300 -0.912 0.000 0.894 183 V CB 1.112 32.663 31.823 -0.453 0.000 1.004 183 V HN 0.521 nan 8.190 nan 0.000 0.424 184 A N 2.566 124.287 122.820 -1.832 0.000 2.234 184 A HA -0.055 4.264 4.320 -0.002 0.000 0.216 184 A C 1.956 179.186 177.584 -0.590 0.000 1.167 184 A CA 2.080 53.308 52.037 -1.347 0.000 0.698 184 A CB -0.837 17.872 19.000 -0.484 0.000 0.779 184 A HN 1.605 nan 8.150 nan 0.000 0.475 185 T N -3.804 110.406 114.554 -0.574 0.000 3.113 185 T HA 0.032 4.381 4.350 -0.002 0.000 0.263 185 T C 1.541 176.016 174.700 -0.374 0.000 1.143 185 T CA 1.153 63.012 62.100 -0.402 0.000 1.090 185 T CB -0.083 68.517 68.868 -0.446 0.000 0.922 185 T HN 0.547 nan 8.240 nan 0.000 0.521 186 R N -1.551 118.689 120.500 -0.434 0.000 2.513 186 R HA 0.179 4.518 4.340 -0.002 0.000 0.245 186 R C 1.127 177.348 176.300 -0.131 0.000 0.908 186 R CA -0.219 55.703 56.100 -0.297 0.000 1.023 186 R CB 0.226 30.317 30.300 -0.348 0.000 1.338 186 R HN 0.339 nan 8.270 nan 0.000 0.575 187 W N 0.353 121.487 121.300 -0.277 0.000 2.387 187 W HA -0.109 4.550 4.660 -0.001 0.000 0.272 187 W C 0.626 176.914 176.519 -0.385 0.000 1.224 187 W CA 0.659 57.771 57.345 -0.389 0.000 1.210 187 W CB -0.584 28.489 29.460 -0.645 0.000 1.125 187 W HN 0.153 nan 8.180 nan 0.000 0.572 188 Y N -0.277 120.182 120.300 0.264 0.000 2.485 188 Y HA 0.242 4.790 4.550 -0.002 0.000 0.260 188 Y C 1.155 177.204 175.900 0.248 0.000 1.173 188 Y CA -0.387 57.860 58.100 0.246 0.000 1.252 188 Y CB -0.398 38.136 38.460 0.123 0.000 1.123 188 Y HN -0.441 nan 8.280 nan 0.000 0.524 189 R N 1.446 122.072 120.500 0.210 0.000 2.390 189 R HA 0.474 4.813 4.340 -0.002 0.000 0.291 189 R C 0.302 176.532 176.300 -0.116 0.000 1.070 189 R CA -0.526 55.599 56.100 0.041 0.000 1.014 189 R CB 0.541 30.772 30.300 -0.114 0.000 1.007 189 R HN 0.200 nan 8.270 nan 0.000 0.466 190 A N 5.548 128.197 122.820 -0.285 0.000 2.483 190 A HA 0.192 4.511 4.320 -0.002 0.000 0.238 190 A C -1.117 175.955 177.584 -0.852 0.000 1.070 190 A CA -0.892 50.618 52.037 -0.879 0.000 0.770 190 A CB -0.037 18.672 19.000 -0.485 0.000 1.008 190 A HN 0.504 nan 8.150 nan 0.000 0.497 191 P HA -0.216 nan 4.420 nan 0.000 0.216 191 P C 1.076 177.623 177.300 -1.255 0.000 1.153 191 P CA 1.615 64.054 63.100 -1.101 0.000 0.848 191 P CB 0.001 30.991 31.700 -1.184 0.000 0.787 192 E N 0.278 119.868 120.200 -1.016 0.000 2.204 192 E HA -0.160 4.189 4.350 -0.002 0.000 0.195 192 E C 2.128 178.513 176.600 -0.359 0.000 0.990 192 E CA 0.865 56.889 56.400 -0.627 0.000 0.821 192 E CB -1.044 28.615 29.700 -0.068 0.000 0.750 192 E HN 0.321 nan 8.360 nan 0.000 0.477 193 I N -0.069 120.295 120.570 -0.343 0.000 2.731 193 I HA -0.039 4.130 4.170 -0.002 0.000 0.260 193 I C 2.671 178.656 176.117 -0.219 0.000 1.138 193 I CA 0.286 61.466 61.300 -0.201 0.000 1.461 193 I CB 0.050 37.887 38.000 -0.272 0.000 1.128 193 I HN 0.050 nan 8.210 nan 0.000 0.438 194 M N 0.233 119.637 119.600 -0.327 0.000 2.229 194 M HA -0.147 4.332 4.480 -0.002 0.000 0.264 194 M C 1.152 177.344 176.300 -0.180 0.000 1.063 194 M CA 1.839 56.974 55.300 -0.275 0.000 1.114 194 M CB 0.160 32.541 32.600 -0.366 0.000 1.387 194 M HN 0.226 nan 8.290 nan 0.000 0.420 195 L N -0.321 120.718 121.223 -0.308 0.000 2.766 195 L HA 0.192 4.531 4.340 -0.002 0.000 0.242 195 L C -0.048 176.794 176.870 -0.047 0.000 1.136 195 L CA -0.339 54.400 54.840 -0.168 0.000 0.933 195 L CB 0.069 41.969 42.059 -0.265 0.000 1.241 195 L HN 0.290 nan 8.230 nan 0.000 0.522 196 N N -0.443 118.215 118.700 -0.070 0.000 2.756 196 N HA -0.223 4.516 4.740 -0.002 0.000 0.248 196 N C 0.442 176.080 175.510 0.214 0.000 1.062 196 N CA 0.578 53.669 53.050 0.068 0.000 0.696 196 N CB -1.224 37.313 38.487 0.083 0.000 0.946 196 N HN 0.410 nan 8.380 nan 0.000 0.548 197 W N 0.086 121.395 121.300 0.016 0.000 2.388 197 W HA 0.075 4.734 4.660 -0.002 0.000 0.294 197 W C 1.730 178.256 176.519 0.012 0.000 1.212 197 W CA 0.946 58.296 57.345 0.009 0.000 1.271 197 W CB -0.233 29.221 29.460 -0.010 0.000 1.126 197 W HN 0.397 nan 8.180 nan 0.000 0.535 198 M N -4.209 115.545 119.600 0.257 0.000 3.012 198 M HA 0.411 4.890 4.480 -0.002 0.000 0.272 198 M C -0.297 176.066 176.300 0.104 0.000 1.187 198 M CA -0.768 54.620 55.300 0.147 0.000 0.813 198 M CB 0.651 33.334 32.600 0.139 0.000 1.626 198 M HN -0.153 nan 8.290 nan 0.000 0.507 199 H N 0.792 119.883 119.070 0.034 0.000 3.026 199 H HA 0.433 4.988 4.556 -0.002 0.000 0.289 199 H C -1.049 174.248 175.328 -0.052 0.000 1.022 199 H CA 0.398 56.410 56.048 -0.060 0.000 1.477 199 H CB -0.697 29.006 29.762 -0.099 0.000 1.510 199 H HN 0.661 nan 8.280 nan 0.000 0.535 200 Y N 2.628 122.933 120.300 0.008 0.000 2.295 200 Y HA 0.462 5.011 4.550 -0.002 0.000 0.331 200 Y C 0.033 175.929 175.900 -0.006 0.000 1.311 200 Y CA -1.099 57.001 58.100 -0.001 0.000 1.430 200 Y CB 0.768 39.218 38.460 -0.017 0.000 1.339 200 Y HN 0.921 nan 8.280 nan 0.000 0.552 201 N N -1.427 117.450 118.700 0.296 0.000 3.157 201 N HA 0.147 4.886 4.740 -0.002 0.000 0.291 201 N C 0.191 175.801 175.510 0.167 0.000 1.515 201 N CA -0.546 52.604 53.050 0.166 0.000 0.807 201 N CB 0.409 38.917 38.487 0.036 0.000 1.672 201 N HN 0.749 nan 8.380 nan 0.000 0.592 202 Q N -1.020 118.765 119.800 -0.024 0.000 2.290 202 Q HA -0.255 4.084 4.340 -0.002 0.000 0.211 202 Q C 0.734 176.631 176.000 -0.172 0.000 0.991 202 Q CA 2.427 58.057 55.803 -0.289 0.000 0.893 202 Q CB -1.110 27.148 28.738 -0.800 0.000 0.913 202 Q HN 0.825 nan 8.270 nan 0.000 0.428 203 T N -0.866 113.678 114.554 -0.017 0.000 2.946 203 T HA -0.097 4.252 4.350 -0.002 0.000 0.271 203 T C 1.892 176.672 174.700 0.134 0.000 1.104 203 T CA 1.142 63.292 62.100 0.084 0.000 1.114 203 T CB -0.676 68.254 68.868 0.103 0.000 0.867 203 T HN 0.409 nan 8.240 nan 0.000 0.513 204 V N 0.022 119.993 119.914 0.094 0.000 2.515 204 V HA -0.107 4.012 4.120 -0.002 0.000 0.250 204 V C 2.079 178.258 176.094 0.141 0.000 1.058 204 V CA 1.801 64.143 62.300 0.071 0.000 1.064 204 V CB -0.762 31.005 31.823 -0.092 0.000 0.675 204 V HN 0.221 nan 8.190 nan 0.000 0.461 205 D N 0.871 121.360 120.400 0.148 0.000 2.144 205 D HA -0.078 4.561 4.640 -0.002 0.000 0.199 205 D C 2.193 178.590 176.300 0.162 0.000 0.984 205 D CA 1.436 55.533 54.000 0.161 0.000 0.834 205 D CB -0.175 40.782 40.800 0.262 0.000 0.955 205 D HN 0.408 nan 8.370 nan 0.000 0.465 206 I N 0.494 121.188 120.570 0.207 0.000 2.361 206 I HA -0.223 3.946 4.170 -0.002 0.000 0.251 206 I C 2.280 178.501 176.117 0.173 0.000 1.133 206 I CA 0.704 62.102 61.300 0.163 0.000 1.413 206 I CB -0.978 37.126 38.000 0.174 0.000 1.073 206 I HN 0.296 nan 8.210 nan 0.000 0.424 207 W N 1.863 123.208 121.300 0.074 0.000 2.381 207 W HA -0.176 4.483 4.660 -0.002 0.000 0.301 207 W C 2.468 179.053 176.519 0.109 0.000 1.205 207 W CA 1.534 58.936 57.345 0.095 0.000 1.285 207 W CB -0.233 29.270 29.460 0.072 0.000 1.133 207 W HN 0.092 nan 8.180 nan 0.000 0.521 208 S N 0.960 116.835 115.700 0.291 0.000 2.356 208 S HA -0.198 4.271 4.470 -0.002 0.000 0.223 208 S C 1.871 176.501 174.600 0.050 0.000 1.032 208 S CA 1.782 60.104 58.200 0.203 0.000 1.005 208 S CB -0.851 62.419 63.200 0.117 0.000 0.867 208 S HN 0.107 nan 8.310 nan 0.000 0.449 209 V N 1.854 121.766 119.914 -0.004 0.000 2.469 209 V HA -0.175 3.944 4.120 -0.002 0.000 0.251 209 V C 2.580 178.633 176.094 -0.068 0.000 1.064 209 V CA 1.879 64.146 62.300 -0.054 0.000 1.066 209 V CB -1.564 30.231 31.823 -0.047 0.000 0.667 209 V HN 0.597 nan 8.190 nan 0.000 0.461 210 G N -1.082 107.655 108.800 -0.104 0.000 2.421 210 G HA2 -0.261 3.698 3.960 -0.002 0.000 0.216 210 G HA3 -0.261 3.698 3.960 -0.002 0.000 0.216 210 G C 1.739 176.520 174.900 -0.199 0.000 1.171 210 G CA 1.310 46.294 45.100 -0.193 0.000 0.775 210 G HN 0.542 nan 8.290 nan 0.000 0.543 211 C N 0.388 119.599 119.300 -0.149 0.000 2.429 211 C HA 0.043 4.502 4.460 -0.002 0.000 0.277 211 C C 2.839 177.872 174.990 0.072 0.000 1.262 211 C CA 0.420 59.425 59.018 -0.021 0.000 1.733 211 C CB -1.015 26.879 27.740 0.256 0.000 2.010 211 C HN 0.461 nan 8.230 nan 0.000 0.483 212 I N 0.382 120.987 120.570 0.058 0.000 2.142 212 I HA -0.301 3.868 4.170 -0.002 0.000 0.240 212 I C 2.717 178.804 176.117 -0.049 0.000 1.078 212 I CA 1.838 63.121 61.300 -0.028 0.000 1.343 212 I CB -0.513 37.405 38.000 -0.137 0.000 1.046 212 I HN 0.370 nan 8.210 nan 0.000 0.405 213 M N 0.638 120.193 119.600 -0.075 0.000 2.149 213 M HA -0.230 4.249 4.480 -0.002 0.000 0.261 213 M C 2.378 178.589 176.300 -0.147 0.000 1.064 213 M CA 2.157 57.407 55.300 -0.084 0.000 1.102 213 M CB -0.124 32.424 32.600 -0.087 0.000 1.369 213 M HN 0.296 nan 8.290 nan 0.000 0.408 214 A N -0.143 122.552 122.820 -0.208 0.000 1.902 214 A HA -0.240 4.079 4.320 -0.002 0.000 0.217 214 A C 1.908 179.438 177.584 -0.090 0.000 1.181 214 A CA 2.027 53.906 52.037 -0.264 0.000 0.623 214 A CB -0.855 18.001 19.000 -0.241 0.000 0.818 214 A HN 0.703 nan 8.150 nan 0.000 0.443 215 E N -0.152 120.021 120.200 -0.045 0.000 2.110 215 E HA -0.134 4.215 4.350 -0.002 0.000 0.193 215 E C 1.894 178.496 176.600 0.004 0.000 0.988 215 E CA 0.895 57.295 56.400 0.000 0.000 0.804 215 E CB -0.190 29.548 29.700 0.063 0.000 0.745 215 E HN 0.636 nan 8.360 nan 0.000 0.458 216 L N 0.353 121.571 121.223 -0.008 0.000 2.046 216 L HA -0.187 4.152 4.340 -0.002 0.000 0.208 216 L C 2.500 179.383 176.870 0.022 0.000 1.077 216 L CA 0.885 55.731 54.840 0.011 0.000 0.747 216 L CB -0.365 41.704 42.059 0.016 0.000 0.896 216 L HN 0.272 nan 8.230 nan 0.000 0.432 217 L N -0.627 120.593 121.223 -0.005 0.000 2.109 217 L HA -0.140 4.199 4.340 -0.002 0.000 0.207 217 L C 2.630 179.524 176.870 0.040 0.000 1.086 217 L CA 1.779 56.624 54.840 0.007 0.000 0.760 217 L CB -0.635 41.386 42.059 -0.064 0.000 0.910 217 L HN 0.428 nan 8.230 nan 0.000 0.437 218 T N -4.677 109.906 114.554 0.048 0.000 3.037 218 T HA 0.218 4.566 4.350 -0.002 0.000 0.251 218 T C 1.519 176.232 174.700 0.023 0.000 1.079 218 T CA 0.503 62.634 62.100 0.052 0.000 1.067 218 T CB 0.628 69.536 68.868 0.067 0.000 0.948 218 T HN 0.400 nan 8.240 nan 0.000 0.496 219 G N 1.870 110.681 108.800 0.020 0.000 2.148 219 G HA2 -0.209 3.750 3.960 -0.002 0.000 0.254 219 G HA3 -0.209 3.750 3.960 -0.002 0.000 0.254 219 G C 0.062 174.965 174.900 0.004 0.000 0.981 219 G CA 0.046 45.156 45.100 0.017 0.000 0.670 219 G HN 0.677 nan 8.290 nan 0.000 0.528 220 R N -0.283 120.209 120.500 -0.014 0.000 2.854 220 R HA 0.615 4.954 4.340 -0.002 0.000 0.271 220 R C -0.016 176.235 176.300 -0.081 0.000 0.994 220 R CA -0.446 55.625 56.100 -0.049 0.000 0.945 220 R CB 0.394 30.651 30.300 -0.071 0.000 1.194 220 R HN 0.131 nan 8.270 nan 0.000 0.476 221 T N 2.112 116.575 114.554 -0.152 0.000 2.916 221 T HA 0.033 4.382 4.350 -0.002 0.000 0.303 221 T C 1.510 176.022 174.700 -0.313 0.000 1.025 221 T CA -0.292 61.661 62.100 -0.245 0.000 1.142 221 T CB 0.653 69.193 68.868 -0.546 0.000 0.947 221 T HN 0.336 nan 8.240 nan 0.000 0.544 222 L N 2.375 123.389 121.223 -0.348 0.000 2.023 222 L HA 0.237 4.576 4.340 -0.002 0.000 0.205 222 L C 0.331 176.773 176.870 -0.713 0.000 1.073 222 L CA 1.755 56.247 54.840 -0.580 0.000 0.745 222 L CB -0.223 41.370 42.059 -0.776 0.000 0.900 222 L HN 0.616 nan 8.230 nan 0.000 0.435 223 F N 1.443 121.250 119.950 -0.238 0.000 2.449 223 F HA 0.401 4.927 4.527 -0.002 0.000 0.329 223 F C -2.036 173.467 175.800 -0.496 0.000 1.245 223 F CA -2.761 55.104 58.000 -0.225 0.000 1.193 223 F CB 0.080 39.054 39.000 -0.043 0.000 1.425 223 F HN 0.064 nan 8.300 nan 0.000 0.544 224 P HA 0.135 nan 4.420 nan 0.000 0.225 224 P C 0.584 177.727 177.300 -0.261 0.000 1.813 224 P CA 0.172 62.599 63.100 -1.122 0.000 1.013 224 P CB 0.336 31.488 31.700 -0.913 0.000 1.961 225 G N 1.397 110.194 108.800 -0.006 0.000 2.441 225 G HA2 0.154 4.113 3.960 -0.002 0.000 0.243 225 G HA3 0.154 4.113 3.960 -0.002 0.000 0.243 225 G C 1.239 176.406 174.900 0.445 0.000 1.281 225 G CA -0.131 45.102 45.100 0.222 0.000 0.854 225 G HN 0.340 nan 8.290 nan 0.000 0.560 226 T N -1.474 113.292 114.554 0.353 0.000 3.085 226 T HA 0.159 4.508 4.350 -0.002 0.000 0.263 226 T C 0.467 175.341 174.700 0.289 0.000 1.127 226 T CA 0.913 63.242 62.100 0.380 0.000 1.103 226 T CB -0.394 68.565 68.868 0.152 0.000 0.921 226 T HN 0.811 nan 8.240 nan 0.000 0.510 227 D N -2.436 118.107 120.400 0.240 0.000 2.769 227 D HA 0.148 4.787 4.640 -0.002 0.000 0.309 227 D C 0.416 176.838 176.300 0.203 0.000 1.315 227 D CA -0.891 53.239 54.000 0.217 0.000 0.780 227 D CB -0.027 40.873 40.800 0.166 0.000 1.312 227 D HN -0.017 nan 8.370 nan 0.000 0.437 228 H N -0.556 118.531 119.070 0.029 0.000 2.321 228 H HA -0.125 4.430 4.556 -0.002 0.000 0.295 228 H C 1.479 176.814 175.328 0.012 0.000 1.102 228 H CA 1.621 57.669 56.048 -0.001 0.000 1.266 228 H CB 0.036 29.777 29.762 -0.035 0.000 1.363 228 H HN 0.311 nan 8.280 nan 0.000 0.492 229 I N 0.865 121.528 120.570 0.155 0.000 2.163 229 I HA -0.207 3.962 4.170 -0.002 0.000 0.240 229 I C 2.366 178.555 176.117 0.120 0.000 1.081 229 I CA 1.230 62.601 61.300 0.120 0.000 1.353 229 I CB -1.150 36.893 38.000 0.072 0.000 1.054 229 I HN 0.203 nan 8.210 nan 0.000 0.407 230 D N 0.649 121.115 120.400 0.111 0.000 2.133 230 D HA -0.287 4.352 4.640 -0.002 0.000 0.195 230 D C 2.259 178.615 176.300 0.094 0.000 0.997 230 D CA 1.631 55.692 54.000 0.102 0.000 0.840 230 D CB -0.049 40.816 40.800 0.109 0.000 0.947 230 D HN 0.339 nan 8.370 nan 0.000 0.452 231 Q N -0.950 118.906 119.800 0.092 0.000 2.124 231 Q HA -0.142 4.197 4.340 -0.002 0.000 0.202 231 Q C 2.165 178.150 176.000 -0.025 0.000 0.977 231 Q CA 0.953 56.788 55.803 0.053 0.000 0.850 231 Q CB -0.187 28.580 28.738 0.048 0.000 0.901 231 Q HN 0.374 nan 8.270 nan 0.000 0.429 232 L N 1.002 122.226 121.223 0.001 0.000 2.046 232 L HA -0.179 4.160 4.340 -0.002 0.000 0.208 232 L C 1.828 178.714 176.870 0.026 0.000 1.077 232 L CA 1.903 56.741 54.840 -0.004 0.000 0.747 232 L CB -0.307 41.816 42.059 0.107 0.000 0.896 232 L HN 0.047 nan 8.230 nan 0.000 0.432 233 K N -0.626 119.816 120.400 0.070 0.000 2.026 233 K HA -0.155 4.164 4.320 -0.002 0.000 0.208 233 K C 2.098 178.736 176.600 0.063 0.000 1.048 233 K CA 1.776 58.106 56.287 0.071 0.000 0.929 233 K CB -0.402 32.147 32.500 0.080 0.000 0.713 233 K HN 0.341 nan 8.250 nan 0.000 0.439 234 L N 0.819 122.084 121.223 0.070 0.000 2.042 234 L HA -0.230 4.109 4.340 -0.002 0.000 0.210 234 L C 2.395 179.358 176.870 0.155 0.000 1.076 234 L CA 1.320 56.243 54.840 0.139 0.000 0.749 234 L CB -0.503 41.683 42.059 0.211 0.000 0.893 234 L HN 0.212 nan 8.230 nan 0.000 0.432 235 I N -0.411 120.073 120.570 -0.143 0.000 2.202 235 I HA -0.295 3.874 4.170 -0.002 0.000 0.242 235 I C 2.365 178.500 176.117 0.030 0.000 1.091 235 I CA 1.250 62.317 61.300 -0.389 0.000 1.368 235 I CB -0.190 37.464 38.000 -0.578 0.000 1.058 235 I HN 0.218 nan 8.210 nan 0.000 0.410 236 L N 0.246 121.500 121.223 0.050 0.000 2.291 236 L HA -0.137 4.202 4.340 -0.002 0.000 0.214 236 L C 2.653 179.590 176.870 0.112 0.000 1.120 236 L CA 0.870 55.773 54.840 0.104 0.000 0.799 236 L CB -0.582 41.528 42.059 0.086 0.000 0.925 236 L HN 0.265 nan 8.230 nan 0.000 0.446 237 R N 0.489 121.051 120.500 0.103 0.000 2.115 237 R HA -0.175 4.164 4.340 -0.002 0.000 0.230 237 R C 2.214 178.576 176.300 0.104 0.000 1.111 237 R CA 1.129 57.282 56.100 0.088 0.000 0.976 237 R CB 0.012 30.354 30.300 0.069 0.000 0.870 237 R HN 0.231 nan 8.270 nan 0.000 0.445 238 L N 0.057 121.374 121.223 0.156 0.000 2.130 238 L HA 0.003 4.342 4.340 -0.002 0.000 0.200 238 L C 1.874 178.901 176.870 0.262 0.000 1.075 238 L CA 1.254 56.178 54.840 0.140 0.000 0.768 238 L CB 0.095 42.247 42.059 0.156 0.000 0.933 238 L HN 0.106 nan 8.230 nan 0.000 0.451 239 V N -1.788 118.324 119.914 0.329 0.000 3.649 239 V HA 0.531 4.650 4.120 -0.002 0.000 0.275 239 V C 0.949 177.194 176.094 0.252 0.000 1.281 239 V CA 0.109 62.637 62.300 0.379 0.000 1.143 239 V CB -1.454 30.634 31.823 0.442 0.000 0.892 239 V HN 0.656 nan 8.190 nan 0.000 0.441 240 G N 1.085 109.999 108.800 0.191 0.000 2.733 240 G HA2 -0.072 3.887 3.960 -0.002 0.000 0.686 240 G HA3 -0.072 3.887 3.960 -0.002 0.000 0.686 240 G C -0.207 174.759 174.900 0.111 0.000 1.373 240 G CA -0.249 44.928 45.100 0.130 0.000 0.838 240 G HN 1.380 nan 8.290 nan 0.000 0.588 241 T N 0.337 114.932 114.554 0.068 0.000 2.860 241 T HA 0.649 4.998 4.350 -0.002 0.000 0.299 241 T C -1.546 173.170 174.700 0.026 0.000 1.045 241 T CA -0.369 61.755 62.100 0.039 0.000 1.071 241 T CB 1.591 70.460 68.868 0.002 0.000 0.985 241 T HN 0.753 nan 8.240 nan 0.000 0.537 242 P HA 0.338 nan 4.420 nan 0.000 0.275 242 P C 0.370 177.641 177.300 -0.048 0.000 1.228 242 P CA -0.302 62.776 63.100 -0.037 0.000 0.786 242 P CB 0.726 32.350 31.700 -0.126 0.000 0.927 243 G N 0.699 109.480 108.800 -0.031 0.000 2.543 243 G HA2 0.380 4.339 3.960 -0.002 0.000 0.290 243 G HA3 0.380 4.339 3.960 -0.002 0.000 0.290 243 G C 1.138 176.009 174.900 -0.048 0.000 1.310 243 G CA -0.072 45.010 45.100 -0.030 0.000 1.025 243 G HN 0.475 nan 8.290 nan 0.000 0.502 244 A N -0.931 121.866 122.820 -0.040 0.000 1.908 244 A HA -0.113 4.206 4.320 -0.002 0.000 0.218 244 A C 2.072 179.629 177.584 -0.045 0.000 1.181 244 A CA 2.275 54.285 52.037 -0.045 0.000 0.627 244 A CB -0.694 18.286 19.000 -0.032 0.000 0.818 244 A HN 0.791 nan 8.150 nan 0.000 0.445 245 E N -0.736 119.446 120.200 -0.030 0.000 2.058 245 E HA -0.227 4.122 4.350 -0.002 0.000 0.194 245 E C 1.905 178.485 176.600 -0.034 0.000 0.997 245 E CA 1.529 57.915 56.400 -0.023 0.000 0.801 245 E CB -0.215 29.481 29.700 -0.007 0.000 0.746 245 E HN 0.462 nan 8.360 nan 0.000 0.450 246 L N 0.853 122.051 121.223 -0.042 0.000 2.093 246 L HA -0.105 4.234 4.340 -0.002 0.000 0.208 246 L C 2.126 178.919 176.870 -0.129 0.000 1.085 246 L CA 1.382 56.184 54.840 -0.063 0.000 0.755 246 L CB -0.427 41.597 42.059 -0.058 0.000 0.904 246 L HN 0.234 nan 8.230 nan 0.000 0.435 247 L N -0.526 120.609 121.223 -0.147 0.000 2.013 247 L HA -0.298 4.041 4.340 -0.002 0.000 0.212 247 L C 2.586 179.374 176.870 -0.137 0.000 1.073 247 L CA 1.829 56.558 54.840 -0.184 0.000 0.753 247 L CB -0.625 41.345 42.059 -0.148 0.000 0.890 247 L HN 0.271 nan 8.230 nan 0.000 0.432 248 K N 0.343 120.690 120.400 -0.087 0.000 2.032 248 K HA -0.208 4.111 4.320 -0.002 0.000 0.209 248 K C 1.960 178.527 176.600 -0.054 0.000 1.048 248 K CA 1.517 57.768 56.287 -0.061 0.000 0.927 248 K CB -0.201 32.276 32.500 -0.039 0.000 0.712 248 K HN 0.278 nan 8.250 nan 0.000 0.441 249 K N 0.714 121.084 120.400 -0.049 0.000 2.442 249 K HA -0.038 4.281 4.320 -0.002 0.000 0.198 249 K C 0.418 177.004 176.600 -0.024 0.000 1.044 249 K CA 0.537 56.810 56.287 -0.023 0.000 0.948 249 K CB -0.133 32.367 32.500 -0.000 0.000 0.762 249 K HN 0.182 nan 8.250 nan 0.000 0.472 250 I N 2.085 122.603 120.570 -0.086 0.000 2.311 250 I HA -0.044 4.125 4.170 -0.002 0.000 0.297 250 I C 0.975 177.064 176.117 -0.045 0.000 1.131 250 I CA -0.235 61.007 61.300 -0.098 0.000 1.289 250 I CB 1.172 38.972 38.000 -0.332 0.000 1.446 250 I HN 0.088 nan 8.210 nan 0.000 0.524 251 S N 3.133 118.842 115.700 0.014 0.000 2.359 251 S HA -0.187 4.282 4.470 -0.002 0.000 0.223 251 S C 1.242 175.854 174.600 0.021 0.000 1.039 251 S CA 0.989 59.201 58.200 0.019 0.000 1.042 251 S CB -0.177 63.044 63.200 0.037 0.000 0.915 251 S HN 0.747 nan 8.310 nan 0.000 0.439 252 S N 1.749 117.480 115.700 0.052 0.000 2.571 252 S HA -0.033 4.436 4.470 -0.002 0.000 0.297 252 S C 1.001 175.617 174.600 0.026 0.000 1.234 252 S CA -0.233 58.003 58.200 0.059 0.000 1.120 252 S CB 0.285 63.557 63.200 0.121 0.000 0.923 252 S HN 0.473 nan 8.310 nan 0.000 0.504 253 E N 3.680 123.892 120.200 0.019 0.000 2.152 253 E HA -0.090 4.258 4.350 -0.002 0.000 0.192 253 E C 1.758 178.371 176.600 0.022 0.000 0.983 253 E CA 1.064 57.468 56.400 0.006 0.000 0.818 253 E CB -0.083 29.620 29.700 0.006 0.000 0.758 253 E HN 0.805 nan 8.360 nan 0.000 0.467 254 S N 0.562 116.289 115.700 0.044 0.000 2.343 254 S HA -0.160 4.309 4.470 -0.002 0.000 0.219 254 S C 2.095 176.760 174.600 0.109 0.000 1.033 254 S CA 1.098 59.338 58.200 0.066 0.000 1.014 254 S CB -0.328 62.908 63.200 0.060 0.000 0.915 254 S HN 0.458 nan 8.310 nan 0.000 0.435 255 A N 1.753 124.650 122.820 0.128 0.000 1.917 255 A HA -0.193 4.126 4.320 -0.002 0.000 0.219 255 A C 2.098 179.722 177.584 0.067 0.000 1.182 255 A CA 1.942 54.099 52.037 0.200 0.000 0.633 255 A CB -0.616 18.572 19.000 0.315 0.000 0.819 255 A HN 0.455 nan 8.150 nan 0.000 0.448 256 R N -0.144 120.323 120.500 -0.054 0.000 2.075 256 R HA -0.145 4.193 4.340 -0.002 0.000 0.232 256 R C 2.238 178.485 176.300 -0.089 0.000 1.126 256 R CA 1.576 57.582 56.100 -0.157 0.000 0.963 256 R CB -0.410 29.801 30.300 -0.147 0.000 0.858 256 R HN 0.735 nan 8.270 nan 0.000 0.435 257 N N -0.253 118.436 118.700 -0.018 0.000 2.223 257 N HA -0.236 4.503 4.740 -0.002 0.000 0.185 257 N C 1.703 177.227 175.510 0.024 0.000 1.016 257 N CA 1.133 54.182 53.050 -0.002 0.000 0.863 257 N CB -0.123 38.379 38.487 0.026 0.000 0.983 257 N HN 0.296 nan 8.380 nan 0.000 0.429 258 Y N 1.901 122.194 120.300 -0.013 0.000 2.163 258 Y HA -0.023 4.526 4.550 -0.002 0.000 0.288 258 Y C 2.254 178.156 175.900 0.003 0.000 1.136 258 Y CA 1.203 59.309 58.100 0.010 0.000 1.147 258 Y CB -0.538 37.948 38.460 0.044 0.000 0.987 258 Y HN 0.009 nan 8.280 nan 0.000 0.509 259 I N 0.346 120.735 120.570 -0.302 0.000 2.208 259 I HA -0.377 3.792 4.170 -0.002 0.000 0.245 259 I C 2.163 178.096 176.117 -0.307 0.000 1.097 259 I CA 1.758 62.844 61.300 -0.358 0.000 1.363 259 I CB -0.574 37.278 38.000 -0.246 0.000 1.051 259 I HN 0.316 nan 8.210 nan 0.000 0.413 260 Q N 0.275 119.944 119.800 -0.218 0.000 2.439 260 Q HA -0.151 4.188 4.340 -0.002 0.000 0.211 260 Q C 2.196 178.105 176.000 -0.152 0.000 0.978 260 Q CA 1.534 57.242 55.803 -0.157 0.000 0.897 260 Q CB -0.153 28.519 28.738 -0.110 0.000 0.956 260 Q HN 0.606 nan 8.270 nan 0.000 0.483 261 S N -0.407 115.163 115.700 -0.216 0.000 2.496 261 S HA 0.035 4.504 4.470 -0.002 0.000 0.224 261 S C 0.728 175.228 174.600 -0.166 0.000 0.996 261 S CA -0.139 57.961 58.200 -0.166 0.000 0.927 261 S CB -0.035 63.076 63.200 -0.149 0.000 0.774 261 S HN 0.172 nan 8.310 nan 0.000 0.524 262 L N 2.448 123.537 121.223 -0.223 0.000 2.371 262 L HA 0.321 4.660 4.340 -0.002 0.000 0.272 262 L C 0.253 177.072 176.870 -0.085 0.000 1.124 262 L CA -0.602 54.149 54.840 -0.149 0.000 0.816 262 L CB 0.734 42.692 42.059 -0.168 0.000 1.129 262 L HN 0.032 nan 8.230 nan 0.000 0.448 263 T N 2.270 116.795 114.554 -0.049 0.000 2.888 263 T HA 0.025 4.374 4.350 -0.002 0.000 0.301 263 T C 0.173 174.858 174.700 -0.024 0.000 1.001 263 T CA -0.213 61.869 62.100 -0.030 0.000 1.147 263 T CB 0.299 69.159 68.868 -0.015 0.000 0.931 263 T HN 0.482 nan 8.240 nan 0.000 0.541 264 Q N 2.731 122.518 119.800 -0.022 0.000 2.300 264 Q HA 0.245 4.584 4.340 -0.002 0.000 0.280 264 Q C -0.229 175.773 176.000 0.002 0.000 1.033 264 Q CA 0.512 56.307 55.803 -0.013 0.000 0.903 264 Q CB 0.351 29.080 28.738 -0.014 0.000 1.195 264 Q HN 0.564 nan 8.270 nan 0.000 0.386 265 M N 4.518 124.127 119.600 0.014 0.000 2.530 265 M HA 0.530 5.009 4.480 -0.002 0.000 0.307 265 M C -2.373 173.952 176.300 0.041 0.000 1.161 265 M CA -2.118 53.199 55.300 0.028 0.000 0.903 265 M CB 2.221 34.843 32.600 0.036 0.000 1.711 265 M HN 0.410 nan 8.290 nan 0.000 0.451 266 P HA 0.236 nan 4.420 nan 0.000 0.284 266 P C -1.493 175.860 177.300 0.087 0.000 1.258 266 P CA -0.647 62.488 63.100 0.057 0.000 0.824 266 P CB 1.076 32.803 31.700 0.045 0.000 1.038 267 K N 3.003 123.467 120.400 0.108 0.000 2.448 267 K HA 0.111 4.430 4.320 -0.002 0.000 0.278 267 K C 0.215 176.923 176.600 0.181 0.000 1.009 267 K CA -0.004 56.386 56.287 0.171 0.000 0.995 267 K CB 0.082 32.677 32.500 0.157 0.000 0.917 267 K HN 0.409 nan 8.250 nan 0.000 0.481 268 M N 2.526 122.270 119.600 0.241 0.000 2.163 268 M HA 0.038 4.517 4.480 -0.002 0.000 0.305 268 M C 0.623 177.105 176.300 0.303 0.000 1.166 268 M CA -0.464 54.951 55.300 0.191 0.000 1.132 268 M CB 0.416 33.066 32.600 0.083 0.000 1.413 268 M HN 0.604 nan 8.290 nan 0.000 0.478 269 N N 0.964 119.779 118.700 0.192 0.000 2.402 269 N HA 0.067 4.806 4.740 -0.002 0.000 0.252 269 N C -0.032 175.648 175.510 0.282 0.000 1.118 269 N CA 0.097 53.273 53.050 0.210 0.000 0.945 269 N CB 0.266 38.812 38.487 0.099 0.000 1.147 269 N HN 0.427 nan 8.380 nan 0.000 0.495 270 F N 2.297 122.273 119.950 0.044 0.000 2.333 270 F HA -0.059 4.467 4.527 -0.002 0.000 0.300 270 F C 2.253 178.123 175.800 0.116 0.000 1.083 270 F CA 0.697 58.763 58.000 0.110 0.000 1.395 270 F CB -0.890 38.250 39.000 0.233 0.000 1.056 270 F HN 0.640 nan 8.300 nan 0.000 0.529 271 A N 0.076 123.044 122.820 0.247 0.000 1.972 271 A HA -0.209 4.110 4.320 -0.002 0.000 0.219 271 A C 1.985 179.612 177.584 0.071 0.000 1.169 271 A CA 1.899 54.023 52.037 0.146 0.000 0.635 271 A CB -0.927 18.128 19.000 0.092 0.000 0.810 271 A HN 0.489 nan 8.150 nan 0.000 0.446 272 N N -0.907 117.809 118.700 0.027 0.000 2.422 272 N HA 0.063 4.802 4.740 -0.002 0.000 0.181 272 N C 1.215 176.640 175.510 -0.142 0.000 1.080 272 N CA 0.523 53.550 53.050 -0.039 0.000 0.893 272 N CB 0.307 38.778 38.487 -0.027 0.000 0.973 272 N HN 0.282 nan 8.380 nan 0.000 0.456 273 V N 0.115 119.868 119.914 -0.269 0.000 2.426 273 V HA -0.014 4.105 4.120 -0.002 0.000 0.242 273 V C 0.144 175.826 176.094 -0.687 0.000 1.036 273 V CA 1.131 63.072 62.300 -0.599 0.000 1.044 273 V CB -0.171 31.043 31.823 -1.014 0.000 0.688 273 V HN 0.140 nan 8.190 nan 0.000 0.462 274 F N 1.000 120.894 119.950 -0.094 0.000 2.560 274 F HA 0.462 4.987 4.527 -0.002 0.000 0.338 274 F C 0.393 176.165 175.800 -0.046 0.000 1.201 274 F CA -0.835 57.117 58.000 -0.080 0.000 1.291 274 F CB -0.843 38.108 39.000 -0.080 0.000 1.627 274 F HN -0.031 nan 8.300 nan 0.000 0.588 275 I N 1.938 122.525 120.570 0.027 0.000 2.752 275 I HA 0.107 4.276 4.170 -0.002 0.000 0.286 275 I C 1.395 177.537 176.117 0.041 0.000 1.180 275 I CA 0.809 62.123 61.300 0.023 0.000 1.404 275 I CB -0.261 37.730 38.000 -0.013 0.000 1.389 275 I HN 0.797 nan 8.210 nan 0.000 0.549 276 G N 4.222 113.047 108.800 0.042 0.000 2.176 276 G HA2 -0.214 3.745 3.960 -0.002 0.000 0.253 276 G HA3 -0.214 3.745 3.960 -0.002 0.000 0.253 276 G C 0.390 175.314 174.900 0.041 0.000 0.979 276 G CA -0.079 45.042 45.100 0.036 0.000 0.641 276 G HN 0.984 nan 8.290 nan 0.000 0.530 277 A N 0.169 123.024 122.820 0.058 0.000 2.425 277 A HA 0.550 4.869 4.320 -0.002 0.000 0.249 277 A C 0.790 178.375 177.584 0.002 0.000 1.084 277 A CA 0.359 52.415 52.037 0.032 0.000 0.781 277 A CB 0.257 19.280 19.000 0.038 0.000 1.019 277 A HN 0.852 nan 8.150 nan 0.000 0.490 278 N N 2.389 121.080 118.700 -0.016 0.000 2.301 278 N HA -0.030 4.709 4.740 -0.002 0.000 0.267 278 N C -1.723 173.746 175.510 -0.069 0.000 1.304 278 N CA -1.020 52.020 53.050 -0.016 0.000 0.851 278 N CB 0.680 39.188 38.487 0.036 0.000 1.070 278 N HN 0.218 nan 8.380 nan 0.000 0.483 279 P HA -0.157 nan 4.420 nan 0.000 0.217 279 P C 1.425 178.690 177.300 -0.058 0.000 1.148 279 P CA 1.211 64.297 63.100 -0.024 0.000 0.834 279 P CB 0.239 31.939 31.700 0.001 0.000 0.783 280 L N -1.696 119.489 121.223 -0.064 0.000 2.109 280 L HA -0.112 4.227 4.340 -0.002 0.000 0.207 280 L C 2.452 179.117 176.870 -0.343 0.000 1.086 280 L CA 1.320 56.132 54.840 -0.046 0.000 0.760 280 L CB -1.069 41.051 42.059 0.103 0.000 0.910 280 L HN -0.040 nan 8.230 nan 0.000 0.437 281 A N -0.129 122.282 122.820 -0.683 0.000 1.877 281 A HA -0.143 4.176 4.320 -0.002 0.000 0.216 281 A C 2.350 179.629 177.584 -0.508 0.000 1.186 281 A CA 1.659 53.098 52.037 -0.997 0.000 0.620 281 A CB -0.816 17.668 19.000 -0.859 0.000 0.822 281 A HN 0.155 nan 8.150 nan 0.000 0.443 282 V N 0.641 120.387 119.914 -0.281 0.000 2.255 282 V HA -0.322 3.797 4.120 -0.002 0.000 0.247 282 V C 2.380 178.410 176.094 -0.107 0.000 1.051 282 V CA 2.680 64.917 62.300 -0.104 0.000 1.018 282 V CB -0.902 30.939 31.823 0.030 0.000 0.641 282 V HN 0.773 nan 8.190 nan 0.000 0.445 283 D N -0.478 119.855 120.400 -0.111 0.000 2.123 283 D HA -0.210 4.429 4.640 -0.002 0.000 0.196 283 D C 1.957 178.167 176.300 -0.150 0.000 0.992 283 D CA 1.432 55.386 54.000 -0.076 0.000 0.833 283 D CB -0.155 40.668 40.800 0.038 0.000 0.954 283 D HN 0.281 nan 8.370 nan 0.000 0.455 284 L N 0.166 121.194 121.223 -0.326 0.000 2.046 284 L HA -0.035 4.304 4.340 -0.002 0.000 0.208 284 L C 2.113 178.821 176.870 -0.269 0.000 1.077 284 L CA 1.429 55.980 54.840 -0.482 0.000 0.747 284 L CB -0.514 41.117 42.059 -0.714 0.000 0.896 284 L HN 0.218 nan 8.230 nan 0.000 0.432 285 L N -0.748 120.329 121.223 -0.242 0.000 2.131 285 L HA -0.223 4.116 4.340 -0.002 0.000 0.210 285 L C 2.476 179.327 176.870 -0.030 0.000 1.092 285 L CA 1.397 56.158 54.840 -0.132 0.000 0.759 285 L CB -0.553 41.410 42.059 -0.160 0.000 0.903 285 L HN 0.401 nan 8.230 nan 0.000 0.435 286 E N -0.105 119.993 120.200 -0.171 0.000 2.150 286 E HA -0.170 4.179 4.350 -0.002 0.000 0.193 286 E C 1.862 178.361 176.600 -0.168 0.000 0.985 286 E CA 0.712 56.883 56.400 -0.381 0.000 0.814 286 E CB 0.112 29.520 29.700 -0.488 0.000 0.752 286 E HN 0.378 nan 8.360 nan 0.000 0.466 287 K N -0.122 120.216 120.400 -0.103 0.000 2.418 287 K HA 0.080 4.399 4.320 -0.002 0.000 0.195 287 K C 1.756 178.361 176.600 0.009 0.000 1.035 287 K CA 0.544 56.812 56.287 -0.031 0.000 1.003 287 K CB 0.204 32.697 32.500 -0.013 0.000 0.793 287 K HN 0.244 nan 8.250 nan 0.000 0.494 288 M N -0.034 119.558 119.600 -0.013 0.000 2.556 288 M HA 0.098 4.577 4.480 -0.002 0.000 0.264 288 M C 1.131 177.450 176.300 0.032 0.000 1.163 288 M CA 0.664 55.973 55.300 0.014 0.000 1.186 288 M CB 0.153 32.728 32.600 -0.042 0.000 1.321 288 M HN -0.095 nan 8.290 nan 0.000 0.485 289 L N 1.640 122.852 121.223 -0.019 0.000 2.939 289 L HA 0.178 4.517 4.340 -0.002 0.000 0.239 289 L C -0.414 176.616 176.870 0.267 0.000 1.325 289 L CA -0.577 54.205 54.840 -0.097 0.000 1.170 289 L CB -0.609 41.399 42.059 -0.085 0.000 1.538 289 L HN -0.043 nan 8.230 nan 0.000 0.452 290 V N 0.743 120.846 119.914 0.314 0.000 2.498 290 V HA -0.011 4.108 4.120 -0.002 0.000 0.279 290 V C 1.220 177.583 176.094 0.447 0.000 1.048 290 V CA -0.337 62.146 62.300 0.305 0.000 0.967 290 V CB 2.015 33.951 31.823 0.188 0.000 0.988 290 V HN 0.338 nan 8.190 nan 0.000 0.473 291 L N 3.174 124.627 121.223 0.384 0.000 2.042 291 L HA -0.042 4.297 4.340 -0.002 0.000 0.210 291 L C 1.349 178.356 176.870 0.229 0.000 1.076 291 L CA 1.729 56.754 54.840 0.308 0.000 0.749 291 L CB -0.374 41.839 42.059 0.256 0.000 0.893 291 L HN 0.798 nan 8.230 nan 0.000 0.432 292 D N -1.104 119.411 120.400 0.190 0.000 2.344 292 D HA -0.003 4.636 4.640 -0.002 0.000 0.253 292 D C 1.442 177.833 176.300 0.152 0.000 1.255 292 D CA 0.731 54.820 54.000 0.149 0.000 0.894 292 D CB 1.188 42.050 40.800 0.103 0.000 1.067 292 D HN 0.375 nan 8.370 nan 0.000 0.492 293 S N 3.011 118.800 115.700 0.148 0.000 2.420 293 S HA -0.220 4.249 4.470 -0.002 0.000 0.237 293 S C 1.197 175.867 174.600 0.117 0.000 1.023 293 S CA 0.926 59.210 58.200 0.140 0.000 0.991 293 S CB 0.021 63.293 63.200 0.120 0.000 0.792 293 S HN 0.456 nan 8.310 nan 0.000 0.488 294 D N 1.836 122.294 120.400 0.097 0.000 2.218 294 D HA -0.010 4.629 4.640 -0.002 0.000 0.204 294 D C 1.548 177.895 176.300 0.079 0.000 0.976 294 D CA 1.022 55.069 54.000 0.077 0.000 0.853 294 D CB -0.119 40.718 40.800 0.061 0.000 0.939 294 D HN 0.633 nan 8.370 nan 0.000 0.481 295 K N 0.144 120.598 120.400 0.090 0.000 2.358 295 K HA 0.161 4.480 4.320 -0.002 0.000 0.197 295 K C 0.620 177.278 176.600 0.096 0.000 1.025 295 K CA -0.222 56.115 56.287 0.084 0.000 1.104 295 K CB 0.917 33.463 32.500 0.076 0.000 0.855 295 K HN -0.026 nan 8.250 nan 0.000 0.531 296 R N 1.145 121.716 120.500 0.119 0.000 2.679 296 R HA 0.214 4.553 4.340 -0.002 0.000 0.269 296 R C 0.292 176.655 176.300 0.105 0.000 1.076 296 R CA -0.308 55.869 56.100 0.129 0.000 1.160 296 R CB 0.652 31.055 30.300 0.172 0.000 1.054 296 R HN 0.081 nan 8.270 nan 0.000 0.507 297 I N 1.176 121.803 120.570 0.095 0.000 2.638 297 I HA 0.011 4.180 4.170 -0.002 0.000 0.286 297 I C 0.563 176.742 176.117 0.103 0.000 1.088 297 I CA 0.171 61.525 61.300 0.091 0.000 1.397 297 I CB 1.014 39.061 38.000 0.079 0.000 1.414 297 I HN 0.723 nan 8.210 nan 0.000 0.566 298 T N 3.534 118.150 114.554 0.102 0.000 2.902 298 T HA 0.474 4.823 4.350 -0.002 0.000 0.280 298 T C 1.033 175.793 174.700 0.100 0.000 0.992 298 T CA -0.175 61.994 62.100 0.116 0.000 1.015 298 T CB 1.635 70.570 68.868 0.111 0.000 1.044 298 T HN 0.701 nan 8.240 nan 0.000 0.520 299 A N 1.176 124.056 122.820 0.099 0.000 1.883 299 A HA 0.132 4.451 4.320 -0.002 0.000 0.217 299 A C 2.649 180.243 177.584 0.017 0.000 1.186 299 A CA 2.013 54.060 52.037 0.017 0.000 0.624 299 A CB -1.611 17.351 19.000 -0.063 0.000 0.822 299 A HN 1.281 nan 8.150 nan 0.000 0.444 300 A N -0.878 121.971 122.820 0.049 0.000 1.933 300 A HA -0.224 4.095 4.320 -0.002 0.000 0.218 300 A C 2.121 179.744 177.584 0.066 0.000 1.175 300 A CA 1.804 53.875 52.037 0.057 0.000 0.628 300 A CB -0.559 18.485 19.000 0.074 0.000 0.814 300 A HN 0.670 nan 8.150 nan 0.000 0.444 301 Q N -0.745 119.102 119.800 0.079 0.000 2.119 301 Q HA 0.008 4.346 4.340 -0.002 0.000 0.201 301 Q C 2.393 178.464 176.000 0.118 0.000 0.972 301 Q CA 1.274 57.131 55.803 0.091 0.000 0.847 301 Q CB -0.364 28.430 28.738 0.095 0.000 0.903 301 Q HN 0.675 nan 8.270 nan 0.000 0.433 302 A N 0.795 123.693 122.820 0.129 0.000 1.933 302 A HA -0.143 4.176 4.320 -0.002 0.000 0.218 302 A C 2.026 179.787 177.584 0.296 0.000 1.175 302 A CA 0.999 53.166 52.037 0.217 0.000 0.628 302 A CB -0.650 18.462 19.000 0.187 0.000 0.814 302 A HN 0.303 nan 8.150 nan 0.000 0.444 303 L N -0.898 120.380 121.223 0.093 0.000 2.187 303 L HA -0.187 4.152 4.340 -0.002 0.000 0.213 303 L C 2.637 179.395 176.870 -0.186 0.000 1.100 303 L CA 0.965 55.809 54.840 0.006 0.000 0.765 303 L CB -0.295 41.746 42.059 -0.031 0.000 0.904 303 L HN 0.432 nan 8.230 nan 0.000 0.437 304 A N -2.396 120.320 122.820 -0.174 0.000 2.251 304 A HA -0.031 4.287 4.320 -0.002 0.000 0.209 304 A C 0.894 178.485 177.584 0.012 0.000 1.187 304 A CA -0.168 51.697 52.037 -0.287 0.000 0.823 304 A CB -0.612 18.340 19.000 -0.081 0.000 0.846 304 A HN 0.309 nan 8.150 nan 0.000 0.486 305 H N -0.070 119.059 119.070 0.099 0.000 2.815 305 H HA 0.296 4.851 4.556 -0.002 0.000 0.350 305 H C 1.477 176.862 175.328 0.095 0.000 1.080 305 H CA 0.460 56.572 56.048 0.107 0.000 1.433 305 H CB 1.211 31.050 29.762 0.128 0.000 1.432 305 H HN 0.174 nan 8.280 nan 0.000 0.592 306 A N 5.056 127.692 122.820 -0.306 0.000 1.986 306 A HA -0.278 4.040 4.320 -0.002 0.000 0.220 306 A C 1.991 179.630 177.584 0.092 0.000 1.171 306 A CA 1.534 53.514 52.037 -0.094 0.000 0.640 306 A CB -0.970 17.920 19.000 -0.183 0.000 0.811 306 A HN 0.856 nan 8.150 nan 0.000 0.451 307 Y N -0.687 119.655 120.300 0.070 0.000 2.384 307 Y HA -0.160 4.388 4.550 -0.002 0.000 0.289 307 Y C 0.966 176.748 175.900 -0.197 0.000 1.152 307 Y CA 1.109 59.135 58.100 -0.123 0.000 1.258 307 Y CB -0.301 37.964 38.460 -0.324 0.000 0.979 307 Y HN 0.304 nan 8.280 nan 0.000 0.549 308 F N -1.251 118.805 119.950 0.177 0.000 2.653 308 F HA 0.385 4.911 4.527 -0.002 0.000 0.304 308 F C 2.074 177.926 175.800 0.087 0.000 1.092 308 F CA 0.006 58.072 58.000 0.111 0.000 1.279 308 F CB -0.943 38.216 39.000 0.265 0.000 1.044 308 F HN 0.045 nan 8.300 nan 0.000 0.564 309 A N 0.372 123.302 122.820 0.183 0.000 1.940 309 A HA -0.366 3.953 4.320 -0.002 0.000 0.221 309 A C 2.255 179.847 177.584 0.014 0.000 1.190 309 A CA 2.433 54.541 52.037 0.118 0.000 0.647 309 A CB -0.801 18.229 19.000 0.050 0.000 0.821 309 A HN 0.425 nan 8.150 nan 0.000 0.457 310 Q N -1.675 118.063 119.800 -0.102 0.000 2.135 310 Q HA -0.198 4.141 4.340 -0.002 0.000 0.204 310 Q C 1.438 177.104 176.000 -0.558 0.000 0.981 310 Q CA 2.429 58.010 55.803 -0.370 0.000 0.856 310 Q CB -0.386 28.030 28.738 -0.535 0.000 0.902 310 Q HN 0.768 nan 8.270 nan 0.000 0.425 311 Y N -1.840 118.361 120.300 -0.165 0.000 2.498 311 Y HA 0.217 4.766 4.550 -0.002 0.000 0.259 311 Y C 0.370 176.026 175.900 -0.407 0.000 1.086 311 Y CA -0.142 57.711 58.100 -0.412 0.000 1.287 311 Y CB -0.131 37.840 38.460 -0.814 0.000 1.146 311 Y HN 0.155 nan 8.280 nan 0.000 0.523 312 H N 2.063 121.072 119.070 -0.103 0.000 3.094 312 H HA 0.154 4.709 4.556 -0.002 0.000 0.320 312 H C -0.866 174.522 175.328 0.102 0.000 1.000 312 H CA 0.226 56.349 56.048 0.125 0.000 1.413 312 H CB 0.244 30.135 29.762 0.215 0.000 1.405 312 H HN 0.131 nan 8.280 nan 0.000 0.586 313 D N 6.689 126.966 120.400 -0.205 0.000 2.365 313 D HA 0.144 4.783 4.640 -0.002 0.000 0.235 313 D C -2.202 173.969 176.300 -0.215 0.000 1.368 313 D CA -1.780 52.065 54.000 -0.259 0.000 1.001 313 D CB 1.413 42.189 40.800 -0.039 0.000 1.364 313 D HN 0.346 nan 8.370 nan 0.000 0.577 314 P HA -0.075 nan 4.420 nan 0.000 0.223 314 P C 0.203 177.514 177.300 0.017 0.000 1.144 314 P CA 0.804 63.871 63.100 -0.055 0.000 0.783 314 P CB 0.548 32.230 31.700 -0.029 0.000 0.771 315 D N -0.681 119.715 120.400 -0.006 0.000 2.349 315 D HA 0.005 4.644 4.640 -0.002 0.000 0.214 315 D C 0.252 176.572 176.300 0.034 0.000 1.063 315 D CA 0.574 54.586 54.000 0.019 0.000 0.847 315 D CB 0.087 40.890 40.800 0.005 0.000 0.933 315 D HN 0.199 nan 8.370 nan 0.000 0.513 316 D N 0.687 121.117 120.400 0.050 0.000 2.945 316 D HA 0.094 4.732 4.640 -0.002 0.000 0.366 316 D C -0.742 175.620 176.300 0.103 0.000 1.352 316 D CA -0.141 53.897 54.000 0.062 0.000 0.810 316 D CB 0.032 40.866 40.800 0.057 0.000 1.170 316 D HN -0.133 nan 8.370 nan 0.000 0.461 317 E N 1.485 121.755 120.200 0.117 0.000 3.626 317 E HA 0.195 4.544 4.350 -0.002 0.000 0.245 317 E C -2.469 174.228 176.600 0.162 0.000 1.236 317 E CA -1.421 55.069 56.400 0.150 0.000 1.072 317 E CB 1.301 31.099 29.700 0.163 0.000 1.309 317 E HN 0.255 nan 8.360 nan 0.000 0.400 318 P HA -0.010 nan 4.420 nan 0.000 0.269 318 P C 0.303 177.796 177.300 0.323 0.000 1.209 318 P CA -0.129 63.094 63.100 0.206 0.000 0.776 318 P CB 1.119 32.913 31.700 0.157 0.000 0.876 319 V N -0.209 119.855 119.914 0.249 0.000 3.262 319 V HA 0.824 4.943 4.120 -0.002 0.000 0.313 319 V C 0.165 176.381 176.094 0.202 0.000 1.070 319 V CA -1.007 61.409 62.300 0.193 0.000 1.049 319 V CB 0.578 32.460 31.823 0.099 0.000 1.157 319 V HN 0.741 nan 8.190 nan 0.000 0.454 320 A N 0.422 123.167 122.820 -0.124 0.000 2.269 320 A HA 0.603 4.922 4.320 -0.002 0.000 0.319 320 A C -0.153 177.447 177.584 0.026 0.000 1.110 320 A CA -0.650 51.246 52.037 -0.235 0.000 0.847 320 A CB 0.213 18.700 19.000 -0.855 0.000 1.161 320 A HN 0.951 nan 8.150 nan 0.000 0.497 321 D N 0.872 121.332 120.400 0.100 0.000 2.368 321 D HA 0.332 4.971 4.640 -0.002 0.000 0.240 321 D C -2.301 174.173 176.300 0.291 0.000 1.169 321 D CA -0.654 53.460 54.000 0.190 0.000 0.906 321 D CB -0.019 40.914 40.800 0.222 0.000 1.187 321 D HN 0.187 nan 8.370 nan 0.000 0.435 322 P HA -0.020 nan 4.420 nan 0.000 0.265 322 P C -0.846 176.548 177.300 0.156 0.000 1.193 322 P CA 0.251 63.443 63.100 0.153 0.000 0.765 322 P CB 0.144 31.902 31.700 0.096 0.000 0.823 323 Y N 3.000 123.239 120.300 -0.103 0.000 2.388 323 Y HA 0.254 4.803 4.550 -0.002 0.000 0.328 323 Y C -0.310 175.515 175.900 -0.126 0.000 0.963 323 Y CA -1.108 56.792 58.100 -0.332 0.000 1.240 323 Y CB 0.590 38.796 38.460 -0.423 0.000 1.118 323 Y HN 0.262 nan 8.280 nan 0.000 0.484 324 D N 5.932 126.083 120.400 -0.414 0.000 2.352 324 D HA 0.054 4.693 4.640 -0.002 0.000 0.245 324 D C -0.381 175.684 176.300 -0.391 0.000 1.224 324 D CA 0.047 53.874 54.000 -0.288 0.000 0.879 324 D CB 0.731 41.456 40.800 -0.125 0.000 1.057 324 D HN 0.829 nan 8.370 nan 0.000 0.491 325 Q N 1.696 121.315 119.800 -0.302 0.000 2.354 325 Q HA 0.159 4.498 4.340 -0.002 0.000 0.372 325 Q C 0.588 176.424 176.000 -0.272 0.000 0.923 325 Q CA -0.512 55.157 55.803 -0.224 0.000 1.123 325 Q CB 0.292 28.870 28.738 -0.267 0.000 1.298 325 Q HN 0.256 nan 8.270 nan 0.000 0.419 326 S N 0.217 115.883 115.700 -0.056 0.000 2.481 326 S HA -0.157 4.312 4.470 -0.002 0.000 0.231 326 S C 1.554 176.149 174.600 -0.008 0.000 0.996 326 S CA 0.538 58.712 58.200 -0.043 0.000 0.942 326 S CB -0.800 62.409 63.200 0.015 0.000 0.768 326 S HN 0.649 nan 8.310 nan 0.000 0.520 327 F N 2.128 122.144 119.950 0.109 0.000 2.269 327 F HA 0.166 4.692 4.527 -0.002 0.000 0.301 327 F C 2.059 178.036 175.800 0.295 0.000 1.082 327 F CA 0.836 58.983 58.000 0.245 0.000 1.360 327 F CB -0.798 38.475 39.000 0.454 0.000 1.041 327 F HN 0.052 nan 8.300 nan 0.000 0.512 328 E N 1.087 120.771 120.200 -0.860 0.000 2.160 328 E HA -0.189 4.160 4.350 -0.002 0.000 0.195 328 E C 2.173 178.696 176.600 -0.128 0.000 0.991 328 E CA 1.688 57.767 56.400 -0.535 0.000 0.810 328 E CB -0.476 28.875 29.700 -0.582 0.000 0.742 328 E HN 0.632 nan 8.360 nan 0.000 0.466 329 S N -0.182 115.467 115.700 -0.085 0.000 2.577 329 S HA 0.121 4.590 4.470 -0.002 0.000 0.219 329 S C 0.806 175.437 174.600 0.052 0.000 0.962 329 S CA -0.386 57.806 58.200 -0.013 0.000 0.921 329 S CB 0.286 63.464 63.200 -0.036 0.000 0.789 329 S HN -0.008 nan 8.310 nan 0.000 0.497 330 R N 1.369 121.947 120.500 0.129 0.000 2.368 330 R HA 0.328 4.667 4.340 -0.002 0.000 0.302 330 R C -1.410 175.015 176.300 0.208 0.000 1.002 330 R CA -0.443 55.736 56.100 0.132 0.000 0.929 330 R CB 0.560 30.930 30.300 0.116 0.000 1.073 330 R HN 0.208 nan 8.270 nan 0.000 0.464 331 D N 5.185 125.642 120.400 0.095 0.000 2.303 331 D HA 0.356 4.995 4.640 -0.002 0.000 0.236 331 D C -0.333 175.953 176.300 -0.023 0.000 1.068 331 D CA -0.128 53.945 54.000 0.122 0.000 0.830 331 D CB 1.524 42.368 40.800 0.074 0.000 1.109 331 D HN 0.348 nan 8.370 nan 0.000 0.496 332 L N 1.051 122.256 121.223 -0.029 0.000 2.397 332 L HA 0.496 4.835 4.340 -0.002 0.000 0.251 332 L C -0.078 176.724 176.870 -0.114 0.000 1.064 332 L CA -0.998 53.631 54.840 -0.352 0.000 0.859 332 L CB 1.723 43.075 42.059 -1.179 0.000 1.468 332 L HN 0.055 nan 8.230 nan 0.000 0.411 333 L N 0.522 121.650 121.223 -0.158 0.000 2.469 333 L HA 0.333 4.672 4.340 -0.002 0.000 0.253 333 L C 1.188 178.142 176.870 0.139 0.000 1.143 333 L CA -0.390 54.459 54.840 0.014 0.000 0.804 333 L CB 0.935 42.977 42.059 -0.027 0.000 1.214 333 L HN 0.573 nan 8.230 nan 0.000 0.476 334 I N 0.274 120.955 120.570 0.185 0.000 2.179 334 I HA -0.262 3.907 4.170 -0.002 0.000 0.242 334 I C 1.732 177.936 176.117 0.145 0.000 1.088 334 I CA 1.339 62.784 61.300 0.242 0.000 1.357 334 I CB -0.136 37.961 38.000 0.162 0.000 1.051 334 I HN 0.710 nan 8.210 nan 0.000 0.409 335 D N 0.555 120.977 120.400 0.037 0.000 2.178 335 D HA -0.174 4.465 4.640 -0.002 0.000 0.201 335 D C 2.105 178.368 176.300 -0.062 0.000 0.980 335 D CA 1.108 55.088 54.000 -0.033 0.000 0.842 335 D CB -0.099 40.673 40.800 -0.045 0.000 0.948 335 D HN 0.415 nan 8.370 nan 0.000 0.472 336 E N -0.953 119.191 120.200 -0.094 0.000 2.107 336 E HA -0.102 4.247 4.350 -0.002 0.000 0.191 336 E C 1.944 178.427 176.600 -0.195 0.000 0.982 336 E CA 0.466 56.747 56.400 -0.197 0.000 0.809 336 E CB -0.083 29.425 29.700 -0.320 0.000 0.756 336 E HN 0.424 nan 8.360 nan 0.000 0.459 337 W N 1.370 122.615 121.300 -0.092 0.000 2.436 337 W HA -0.060 4.599 4.660 -0.002 0.000 0.284 337 W C 2.403 178.876 176.519 -0.076 0.000 1.225 337 W CA 0.425 57.708 57.345 -0.104 0.000 1.271 337 W CB 0.187 29.660 29.460 0.021 0.000 1.114 337 W HN -0.031 nan 8.180 nan 0.000 0.559 338 K N 0.147 120.590 120.400 0.072 0.000 2.097 338 K HA -0.177 4.141 4.320 -0.002 0.000 0.205 338 K C 2.332 178.914 176.600 -0.030 0.000 1.050 338 K CA 1.612 57.729 56.287 -0.283 0.000 0.938 338 K CB -0.376 31.762 32.500 -0.604 0.000 0.718 338 K HN -0.039 nan 8.250 nan 0.000 0.442 339 S N 0.530 116.218 115.700 -0.021 0.000 2.355 339 S HA -0.063 4.406 4.470 -0.002 0.000 0.222 339 S C 1.920 176.557 174.600 0.062 0.000 1.031 339 S CA 0.882 59.098 58.200 0.027 0.000 0.993 339 S CB -0.250 62.935 63.200 -0.026 0.000 0.859 339 S HN 0.347 nan 8.310 nan 0.000 0.453 340 L N 0.832 122.049 121.223 -0.010 0.000 2.042 340 L HA -0.131 4.208 4.340 -0.002 0.000 0.210 340 L C 2.804 179.787 176.870 0.188 0.000 1.076 340 L CA 1.726 56.545 54.840 -0.034 0.000 0.749 340 L CB -1.079 40.746 42.059 -0.390 0.000 0.893 340 L HN 0.361 nan 8.230 nan 0.000 0.432 341 T N -1.467 113.267 114.554 0.300 0.000 2.674 341 T HA -0.254 4.095 4.350 -0.002 0.000 0.265 341 T C 1.673 176.545 174.700 0.286 0.000 1.039 341 T CA 1.477 63.864 62.100 0.479 0.000 1.150 341 T CB -0.397 68.873 68.868 0.669 0.000 0.864 341 T HN 0.264 nan 8.240 nan 0.000 0.427 342 Y N 2.634 122.912 120.300 -0.037 0.000 2.081 342 Y HA -0.240 4.309 4.550 -0.001 0.000 0.280 342 Y C 2.194 177.955 175.900 -0.231 0.000 1.163 342 Y CA 1.574 59.369 58.100 -0.509 0.000 1.135 342 Y CB -0.721 37.377 38.460 -0.603 0.000 0.970 342 Y HN 0.203 nan 8.280 nan 0.000 0.498 343 D N -0.043 120.276 120.400 -0.136 0.000 2.133 343 D HA -0.191 4.448 4.640 -0.002 0.000 0.195 343 D C 2.006 178.242 176.300 -0.107 0.000 0.997 343 D CA 1.638 55.541 54.000 -0.160 0.000 0.840 343 D CB -0.207 40.575 40.800 -0.030 0.000 0.947 343 D HN 0.481 nan 8.370 nan 0.000 0.452 344 E N 0.444 120.648 120.200 0.006 0.000 2.153 344 E HA -0.098 4.251 4.350 -0.002 0.000 0.194 344 E C 2.452 179.066 176.600 0.023 0.000 0.988 344 E CA 0.275 56.704 56.400 0.049 0.000 0.811 344 E CB -0.136 29.624 29.700 0.100 0.000 0.746 344 E HN 0.205 nan 8.360 nan 0.000 0.466 345 V N 2.244 122.126 119.914 -0.054 0.000 2.323 345 V HA -0.207 3.912 4.120 -0.002 0.000 0.244 345 V C 2.521 178.572 176.094 -0.071 0.000 1.041 345 V CA 1.678 63.948 62.300 -0.049 0.000 1.025 345 V CB -0.686 31.087 31.823 -0.083 0.000 0.656 345 V HN 0.335 nan 8.190 nan 0.000 0.451 346 I N 0.249 120.653 120.570 -0.276 0.000 2.756 346 I HA -0.078 4.091 4.170 -0.002 0.000 0.262 346 I C 2.095 178.164 176.117 -0.080 0.000 1.225 346 I CA 1.739 62.901 61.300 -0.229 0.000 1.472 346 I CB -0.434 37.310 38.000 -0.426 0.000 1.094 346 I HN 0.387 nan 8.210 nan 0.000 0.454 347 S N 0.060 115.738 115.700 -0.036 0.000 2.556 347 S HA 0.150 4.619 4.470 -0.002 0.000 0.216 347 S C 0.608 175.242 174.600 0.056 0.000 0.970 347 S CA -0.688 57.513 58.200 0.002 0.000 0.912 347 S CB -0.695 62.504 63.200 -0.002 0.000 0.790 347 S HN 0.437 nan 8.310 nan 0.000 0.504 348 F N 2.771 122.707 119.950 -0.024 0.000 2.586 348 F HA 0.441 4.967 4.527 -0.002 0.000 0.344 348 F C -0.371 175.433 175.800 0.007 0.000 1.188 348 F CA -0.139 57.861 58.000 0.000 0.000 1.359 348 F CB 0.668 39.677 39.000 0.015 0.000 1.129 348 F HN -0.012 nan 8.300 nan 0.000 0.609 349 V N 6.524 125.642 119.914 -1.328 0.000 2.567 349 V HA 0.285 4.404 4.120 -0.002 0.000 0.298 349 V C -2.121 173.181 176.094 -1.320 0.000 1.047 349 V CA -1.446 60.280 62.300 -0.956 0.000 0.880 349 V CB 1.637 33.205 31.823 -0.426 0.000 1.009 349 V HN 0.746 nan 8.190 nan 0.000 0.429 350 P HA 0.256 nan 4.420 nan 0.000 0.270 350 P C -2.346 174.848 177.300 -0.176 0.000 1.223 350 P CA -0.572 62.347 63.100 -0.302 0.000 0.785 350 P CB 0.031 31.722 31.700 -0.014 0.000 0.923 351 P HA 0.000 nan 4.420 nan 0.000 0.216 351 P CA 0.000 63.089 63.100 -0.019 0.000 0.800 351 P CB 0.000 31.721 31.700 0.035 0.000 0.726