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 3ie0_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRIVPFGAAR EVTGSAHLLL AGGRRVLLDC GMFQGKEEAR NHAPFGFDPK DATA SEQUENCE EVDAVLLTHA HLDHVGRLPK LFREGYRGPV YATRATVLLM EIVLEDALKV DATA SEQUENCE MDEPFFGPED VEEALGHLRP LEYGEWLRLG ALSLAFGQAG HLPGSAFVVA DATA SEQUENCE QGEGRTLVYS GDLGNREKDV LPDPSLPPLA DLVLAEGTYG DRPHRPYRET DATA SEQUENCE VREFLEILEK TLSQGGKVLI PTFAVERAQE ILYVLYTHGH RLPRAPIYLD DATA SEQUENCE SPMAGRVLSL YPRLVRYFSE EVQAHFLQGK NPFRPAGLEV VEHTEASKAL DATA SEQUENCE NRAPGPMVVL AGSGMLAGGR ILHHLKHGLS DPRNALVFVG YQPQGGLGAE DATA SEQUENCE IIARPPAVRI LGEEVPLRAS VHTLGGFYGH AGQDELLDWL QGEPRVVLVH DATA SEQUENCE GEEEKLLALG KLLALRGQEV SLARFGEGVP V VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.293 176.300 -0.012 0.000 1.140 1 M CA 0.000 55.296 55.300 -0.007 0.000 0.988 1 M CB 0.000 32.599 32.600 -0.002 0.000 1.302 2 R N 2.897 123.386 120.500 -0.017 0.000 2.744 2 R HA 0.796 5.141 4.340 0.009 0.000 0.279 2 R C -1.518 174.760 176.300 -0.037 0.000 0.977 2 R CA -0.783 55.301 56.100 -0.027 0.000 0.906 2 R CB 2.734 33.018 30.300 -0.026 0.000 1.197 2 R HN 0.633 nan 8.270 nan 0.000 0.463 3 I N 2.091 122.630 120.570 -0.053 0.000 2.410 3 I HA 0.305 4.480 4.170 0.009 0.000 0.286 3 I C -1.293 174.763 176.117 -0.102 0.000 1.009 3 I CA -0.598 60.659 61.300 -0.071 0.000 1.111 3 I CB 1.890 39.843 38.000 -0.077 0.000 1.262 3 I HN 0.315 nan 8.210 nan 0.000 0.443 4 V N 10.132 129.981 119.914 -0.108 0.000 2.311 4 V HA 0.421 4.546 4.120 0.009 0.000 0.275 4 V C -2.191 173.729 176.094 -0.290 0.000 1.022 4 V CA -1.755 60.412 62.300 -0.223 0.000 0.830 4 V CB 0.798 32.480 31.823 -0.234 0.000 1.012 4 V HN 0.634 nan 8.190 nan 0.000 0.452 5 P HA 0.101 nan 4.420 nan 0.000 0.264 5 P C -0.316 176.667 177.300 -0.528 0.000 1.183 5 P CA 0.452 63.498 63.100 -0.091 0.000 0.763 5 P CB 0.217 31.852 31.700 -0.108 0.000 0.807 6 F N 1.982 121.785 119.950 -0.245 0.000 2.817 6 F HA 0.465 4.996 4.527 0.007 0.000 0.319 6 F C 0.952 176.705 175.800 -0.077 0.000 1.136 6 F CA 0.244 57.987 58.000 -0.429 0.000 1.177 6 F CB 0.769 39.657 39.000 -0.187 0.000 1.088 6 F HN 0.426 nan 8.300 nan 0.000 0.520 7 G N -1.361 107.510 108.800 0.119 0.000 2.368 7 G HA2 0.501 4.466 3.960 0.009 0.000 0.293 7 G HA3 0.501 4.466 3.960 0.009 0.000 0.293 7 G C -0.177 174.827 174.900 0.173 0.000 1.467 7 G CA -0.049 45.203 45.100 0.253 0.000 0.804 7 G HN 0.698 nan 8.290 nan 0.000 0.535 8 A N -1.981 120.937 122.820 0.164 0.000 2.832 8 A HA 0.283 4.608 4.320 0.009 0.000 0.280 8 A C 0.970 178.648 177.584 0.156 0.000 1.464 8 A CA 1.680 53.776 52.037 0.098 0.000 0.804 8 A CB -1.538 17.506 19.000 0.075 0.000 1.020 8 A HN 2.598 nan 8.150 nan 0.000 0.563 9 A N -0.461 122.473 122.820 0.189 0.000 2.260 9 A HA 0.679 5.004 4.320 0.009 0.000 0.312 9 A C 1.060 178.705 177.584 0.103 0.000 1.321 9 A CA 0.251 52.377 52.037 0.149 0.000 0.928 9 A CB 0.068 19.183 19.000 0.192 0.000 1.158 9 A HN 1.557 nan 8.150 nan 0.000 0.542 10 R N -0.122 120.418 120.500 0.066 0.000 3.758 10 R HA -0.215 4.131 4.340 0.009 0.000 0.299 10 R C -0.041 176.274 176.300 0.025 0.000 1.182 10 R CA 1.892 58.015 56.100 0.037 0.000 0.809 10 R CB -2.308 28.010 30.300 0.030 0.000 1.249 10 R HN 1.038 nan 8.270 nan 0.000 0.497 11 E N -2.873 117.342 120.200 0.025 0.000 2.429 11 E HA 0.410 4.766 4.350 0.009 0.000 0.280 11 E C 0.299 176.852 176.600 -0.077 0.000 1.068 11 E CA -0.529 55.869 56.400 -0.003 0.000 0.837 11 E CB 0.876 30.599 29.700 0.038 0.000 1.357 11 E HN -0.010 nan 8.360 nan 0.000 0.455 12 V N -2.041 117.784 119.914 -0.148 0.000 2.825 12 V HA 0.098 4.224 4.120 0.009 0.000 0.246 12 V C 1.035 176.857 176.094 -0.454 0.000 1.068 12 V CA 1.445 63.497 62.300 -0.413 0.000 1.088 12 V CB -0.415 31.243 31.823 -0.275 0.000 0.733 12 V HN 0.784 nan 8.190 nan 0.000 0.468 13 T N -2.582 111.873 114.554 -0.165 0.000 2.824 13 T HA 0.617 4.972 4.350 0.009 0.000 0.277 13 T C 1.276 175.871 174.700 -0.175 0.000 0.975 13 T CA 0.514 62.536 62.100 -0.130 0.000 0.966 13 T CB 0.951 69.826 68.868 0.010 0.000 1.054 13 T HN 1.669 nan 8.240 nan 0.000 0.533 14 G N 0.085 108.606 108.800 -0.464 0.000 2.217 14 G HA2 -0.287 3.678 3.960 0.009 0.000 0.246 14 G HA3 -0.287 3.678 3.960 0.009 0.000 0.246 14 G C 0.439 175.018 174.900 -0.534 0.000 0.990 14 G CA 0.152 44.691 45.100 -0.934 0.000 0.627 14 G HN 1.206 nan 8.290 nan 0.000 0.522 15 S N 0.888 116.337 115.700 -0.419 0.000 4.004 15 S HA 0.335 4.810 4.470 0.009 0.000 0.480 15 S C 0.513 174.831 174.600 -0.469 0.000 1.098 15 S CA 1.463 59.401 58.200 -0.436 0.000 1.033 15 S CB -0.299 62.472 63.200 -0.715 0.000 0.714 15 S HN 2.084 nan 8.310 nan 0.000 0.501 16 A N 5.793 128.173 122.820 -0.734 0.000 2.521 16 A HA 0.504 4.829 4.320 0.009 0.000 0.298 16 A C -1.249 175.861 177.584 -0.791 0.000 1.044 16 A CA -0.773 50.932 52.037 -0.554 0.000 0.911 16 A CB 0.906 19.791 19.000 -0.192 0.000 1.376 16 A HN 0.772 nan 8.150 nan 0.000 0.392 17 H N 2.474 121.426 119.070 -0.197 0.000 2.744 17 H HA 0.456 5.017 4.556 0.008 0.000 0.339 17 H C -1.128 174.059 175.328 -0.235 0.000 1.004 17 H CA -0.744 55.167 56.048 -0.228 0.000 1.257 17 H CB 1.908 31.428 29.762 -0.404 0.000 1.552 17 H HN 0.538 nan 8.280 nan 0.000 0.522 18 L N 4.245 125.417 121.223 -0.084 0.000 2.281 18 L HA 0.193 4.538 4.340 0.009 0.000 0.285 18 L C -0.681 176.123 176.870 -0.111 0.000 1.074 18 L CA -0.568 54.149 54.840 -0.205 0.000 0.817 18 L CB 0.450 42.319 42.059 -0.316 0.000 1.168 18 L HN 0.439 nan 8.230 nan 0.000 0.434 19 L N 6.657 127.813 121.223 -0.111 0.000 2.272 19 L HA 0.517 4.862 4.340 0.009 0.000 0.289 19 L C -1.192 175.645 176.870 -0.055 0.000 1.032 19 L CA -0.044 54.757 54.840 -0.064 0.000 0.810 19 L CB 0.899 42.935 42.059 -0.038 0.000 1.205 19 L HN 0.522 nan 8.230 nan 0.000 0.422 20 L N 6.458 127.658 121.223 -0.038 0.000 2.298 20 L HA 0.936 5.281 4.340 0.009 0.000 0.284 20 L C -0.124 176.736 176.870 -0.015 0.000 1.013 20 L CA -0.246 54.579 54.840 -0.026 0.000 0.824 20 L CB 1.130 43.178 42.059 -0.018 0.000 1.221 20 L HN 0.870 nan 8.230 nan 0.000 0.418 21 A N 1.608 124.422 122.820 -0.011 0.000 2.522 21 A HA 0.611 4.936 4.320 0.009 0.000 0.291 21 A C 0.481 178.062 177.584 -0.004 0.000 1.039 21 A CA -0.033 52.000 52.037 -0.006 0.000 0.643 21 A CB 0.576 19.574 19.000 -0.003 0.000 1.310 21 A HN 0.908 nan 8.150 nan 0.000 0.436 22 G N -0.660 108.137 108.800 -0.004 0.000 2.225 22 G HA2 0.179 4.144 3.960 0.009 0.000 0.272 22 G HA3 0.179 4.144 3.960 0.009 0.000 0.272 22 G C 1.886 176.785 174.900 -0.003 0.000 0.996 22 G CA 1.815 46.913 45.100 -0.004 0.000 0.710 22 G HN 2.993 nan 8.290 nan 0.000 0.522 23 G N -2.103 106.696 108.800 -0.002 0.000 2.160 23 G HA2 -0.164 3.801 3.960 0.009 0.000 0.244 23 G HA3 -0.164 3.801 3.960 0.009 0.000 0.244 23 G C 0.258 175.160 174.900 0.002 0.000 1.022 23 G CA 0.978 46.078 45.100 0.000 0.000 0.741 23 G HN 0.937 nan 8.290 nan 0.000 0.508 24 R N -0.957 119.543 120.500 0.000 0.000 2.888 24 R HA 0.674 5.020 4.340 0.009 0.000 0.264 24 R C -0.112 176.184 176.300 -0.007 0.000 1.045 24 R CA -0.958 55.144 56.100 0.002 0.000 0.962 24 R CB 1.142 31.446 30.300 0.006 0.000 1.210 24 R HN 0.292 nan 8.270 nan 0.000 0.479 25 R N 0.696 121.190 120.500 -0.010 0.000 2.412 25 R HA 0.394 4.739 4.340 0.009 0.000 0.304 25 R C -0.854 175.416 176.300 -0.050 0.000 1.066 25 R CA -0.563 55.513 56.100 -0.041 0.000 0.923 25 R CB 1.720 31.994 30.300 -0.045 0.000 1.156 25 R HN 0.166 nan 8.270 nan 0.000 0.513 26 V N 4.559 124.438 119.914 -0.059 0.000 2.370 26 V HA 0.251 4.376 4.120 0.009 0.000 0.279 26 V C 0.293 176.319 176.094 -0.113 0.000 1.029 26 V CA -0.696 61.572 62.300 -0.052 0.000 0.870 26 V CB 1.719 33.531 31.823 -0.020 0.000 0.984 26 V HN 0.586 nan 8.190 nan 0.000 0.451 27 L N 6.110 127.240 121.223 -0.155 0.000 2.281 27 L HA 0.413 4.758 4.340 0.009 0.000 0.285 27 L C -0.975 175.830 176.870 -0.109 0.000 1.074 27 L CA -0.600 54.103 54.840 -0.228 0.000 0.817 27 L CB 1.369 43.220 42.059 -0.347 0.000 1.168 27 L HN 0.485 nan 8.230 nan 0.000 0.434 28 L N 5.476 126.641 121.223 -0.097 0.000 2.259 28 L HA 0.389 4.734 4.340 0.009 0.000 0.288 28 L C -0.283 176.594 176.870 0.012 0.000 1.051 28 L CA -0.015 54.836 54.840 0.020 0.000 0.824 28 L CB 0.244 42.280 42.059 -0.037 0.000 1.206 28 L HN 0.576 nan 8.230 nan 0.000 0.429 29 D N 1.272 121.738 120.400 0.109 0.000 10.873 29 D HA -0.264 4.381 4.640 0.009 0.000 0.355 29 D C -0.331 175.934 176.300 -0.057 0.000 3.125 29 D CA 0.452 54.501 54.000 0.083 0.000 2.637 29 D CB -0.215 40.694 40.800 0.181 0.000 1.188 29 D HN 0.695 nan 8.370 nan 0.000 0.939 30 C N 2.482 121.755 119.300 -0.045 0.000 3.319 30 C HA 0.563 5.028 4.460 0.009 0.000 0.200 30 C C 0.605 175.573 174.990 -0.038 0.000 1.332 30 C CA 0.471 59.458 59.018 -0.052 0.000 1.170 30 C CB -0.614 27.095 27.740 -0.053 0.000 1.855 30 C HN 0.656 nan 8.230 nan 0.000 0.593 31 G N 2.513 111.241 108.800 -0.120 0.000 2.504 31 G HA2 0.579 4.545 3.960 0.009 0.000 0.288 31 G HA3 0.579 4.545 3.960 0.009 0.000 0.288 31 G C -0.100 174.645 174.900 -0.257 0.000 1.182 31 G CA -0.567 44.453 45.100 -0.134 0.000 0.894 31 G HN 0.828 nan 8.290 nan 0.000 0.521 32 M N -0.494 119.000 119.600 -0.176 0.000 2.267 32 M HA 0.689 5.174 4.480 0.009 0.000 0.303 32 M C -1.089 174.991 176.300 -0.368 0.000 1.164 32 M CA -0.317 54.829 55.300 -0.258 0.000 1.060 32 M CB 0.832 33.441 32.600 0.014 0.000 1.455 32 M HN 0.211 nan 8.290 nan 0.000 0.483 33 F N 0.512 120.410 119.950 -0.086 0.000 2.397 33 F HA 0.488 5.019 4.527 0.007 0.000 0.331 33 F C 0.189 175.969 175.800 -0.033 0.000 1.090 33 F CA -0.257 57.702 58.000 -0.068 0.000 1.065 33 F CB 1.388 40.330 39.000 -0.096 0.000 1.184 33 F HN 0.577 nan 8.300 nan 0.000 0.499 34 Q N 0.581 120.479 119.800 0.163 0.000 2.484 34 Q HA 0.652 4.998 4.340 0.009 0.000 0.285 34 Q C 0.355 176.415 176.000 0.099 0.000 1.097 34 Q CA -0.603 55.270 55.803 0.116 0.000 0.802 34 Q CB 2.559 31.349 28.738 0.087 0.000 1.444 34 Q HN 0.871 nan 8.270 nan 0.000 0.429 35 G N 1.275 110.130 108.800 0.091 0.000 2.536 35 G HA2 -0.381 3.585 3.960 0.009 0.000 0.277 35 G HA3 -0.381 3.585 3.960 0.009 0.000 0.277 35 G C 0.459 175.394 174.900 0.057 0.000 1.155 35 G CA 0.519 45.664 45.100 0.075 0.000 0.960 35 G HN 0.581 nan 8.290 nan 0.000 0.544 36 K N 0.901 121.324 120.400 0.039 0.000 2.103 36 K HA 0.064 4.389 4.320 0.009 0.000 0.204 36 K C 2.107 178.703 176.600 -0.008 0.000 1.052 36 K CA 1.413 57.709 56.287 0.014 0.000 0.945 36 K CB -0.092 32.409 32.500 0.002 0.000 0.722 36 K HN 0.408 nan 8.250 nan 0.000 0.443 37 E N 1.062 121.257 120.200 -0.008 0.000 2.482 37 E HA -0.153 4.202 4.350 0.009 0.000 0.196 37 E C 1.446 178.023 176.600 -0.039 0.000 1.047 37 E CA 0.441 56.796 56.400 -0.075 0.000 0.869 37 E CB 0.021 29.673 29.700 -0.080 0.000 0.836 37 E HN 0.375 nan 8.360 nan 0.000 0.520 38 E N 1.117 121.346 120.200 0.049 0.000 2.197 38 E HA -0.263 4.093 4.350 0.009 0.000 0.205 38 E C 1.656 178.278 176.600 0.038 0.000 1.029 38 E CA 1.387 57.834 56.400 0.078 0.000 0.828 38 E CB -0.015 29.741 29.700 0.094 0.000 0.737 38 E HN 0.242 nan 8.360 nan 0.000 0.464 39 A N 0.438 123.274 122.820 0.028 0.000 2.216 39 A HA -0.079 4.247 4.320 0.009 0.000 0.214 39 A C 1.712 179.294 177.584 -0.004 0.000 1.160 39 A CA 0.552 52.640 52.037 0.085 0.000 0.725 39 A CB -0.216 18.808 19.000 0.040 0.000 0.784 39 A HN 0.155 nan 8.150 nan 0.000 0.472 40 R N -0.431 119.969 120.500 -0.167 0.000 2.313 40 R HA 0.058 4.403 4.340 0.009 0.000 0.199 40 R C 0.687 176.868 176.300 -0.198 0.000 0.958 40 R CA 0.549 56.460 56.100 -0.315 0.000 1.047 40 R CB -0.289 29.518 30.300 -0.821 0.000 0.955 40 R HN 0.652 nan 8.270 nan 0.000 0.481 41 N N -0.290 118.258 118.700 -0.254 0.000 2.463 41 N HA -0.045 4.701 4.740 0.009 0.000 0.181 41 N C 1.031 176.112 175.510 -0.715 0.000 1.078 41 N CA 0.274 52.932 53.050 -0.654 0.000 0.902 41 N CB 0.219 37.967 38.487 -1.232 0.000 0.970 41 N HN 0.272 nan 8.380 nan 0.000 0.451 42 H N -0.089 118.848 119.070 -0.221 0.000 2.547 42 H HA 0.248 4.809 4.556 0.008 0.000 0.272 42 H C 0.990 176.237 175.328 -0.135 0.000 0.971 42 H CA 0.120 56.105 56.048 -0.106 0.000 1.245 42 H CB 0.207 29.945 29.762 -0.040 0.000 1.440 42 H HN 0.157 nan 8.280 nan 0.000 0.540 43 A N 2.917 125.689 122.820 -0.080 0.000 2.310 43 A HA 0.302 4.628 4.320 0.009 0.000 0.260 43 A C -1.818 175.658 177.584 -0.180 0.000 1.112 43 A CA -0.996 50.977 52.037 -0.108 0.000 0.804 43 A CB -0.225 18.694 19.000 -0.135 0.000 1.081 43 A HN 0.046 nan 8.150 nan 0.000 0.499 44 P HA 0.288 nan 4.420 nan 0.000 0.281 44 P C 0.003 177.208 177.300 -0.157 0.000 1.249 44 P CA -0.345 62.648 63.100 -0.178 0.000 0.810 44 P CB 0.527 32.188 31.700 -0.065 0.000 1.008 45 F N 0.838 120.665 119.950 -0.204 0.000 2.154 45 F HA -0.032 4.500 4.527 0.008 0.000 0.301 45 F C 2.197 177.942 175.800 -0.092 0.000 1.087 45 F CA 2.563 60.385 58.000 -0.298 0.000 1.274 45 F CB -0.954 37.406 39.000 -1.067 0.000 1.009 45 F HN 0.635 nan 8.300 nan 0.000 0.485 46 G N -0.964 107.869 108.800 0.056 0.000 2.184 46 G HA2 -0.216 3.749 3.960 0.009 0.000 0.206 46 G HA3 -0.216 3.749 3.960 0.009 0.000 0.206 46 G C 0.088 175.084 174.900 0.160 0.000 0.995 46 G CA -0.081 45.208 45.100 0.315 0.000 0.651 46 G HN 0.466 nan 8.290 nan 0.000 0.511 47 F N -0.888 118.929 119.950 -0.222 0.000 2.692 47 F HA 0.802 5.332 4.527 0.004 0.000 0.320 47 F C -0.837 174.874 175.800 -0.149 0.000 1.123 47 F CA -1.878 55.964 58.000 -0.263 0.000 0.961 47 F CB 0.851 39.479 39.000 -0.620 0.000 1.383 47 F HN -0.088 nan 8.300 nan 0.000 0.483 48 D N 2.863 123.291 120.400 0.048 0.000 2.411 48 D HA 0.349 4.994 4.640 0.009 0.000 0.225 48 D C -1.515 174.775 176.300 -0.016 0.000 1.156 48 D CA -2.662 51.321 54.000 -0.028 0.000 0.874 48 D CB 1.128 41.946 40.800 0.029 0.000 1.034 48 D HN 0.262 nan 8.370 nan 0.000 0.502 49 P HA -0.185 nan 4.420 nan 0.000 0.220 49 P C 0.674 177.971 177.300 -0.006 0.000 1.144 49 P CA 0.961 63.948 63.100 -0.188 0.000 0.800 49 P CB 0.346 31.851 31.700 -0.326 0.000 0.772 50 K N -0.405 119.994 120.400 -0.003 0.000 2.486 50 K HA -0.008 4.318 4.320 0.009 0.000 0.194 50 K C 1.241 177.858 176.600 0.028 0.000 1.033 50 K CA 0.559 56.852 56.287 0.010 0.000 1.004 50 K CB 0.129 32.624 32.500 -0.010 0.000 0.798 50 K HN 0.154 nan 8.250 nan 0.000 0.495 51 E N 0.732 120.962 120.200 0.050 0.000 2.476 51 E HA 0.054 4.409 4.350 0.009 0.000 0.196 51 E C -0.188 176.447 176.600 0.058 0.000 1.029 51 E CA 0.052 56.479 56.400 0.046 0.000 0.896 51 E CB 0.590 30.315 29.700 0.043 0.000 1.012 51 E HN -0.060 nan 8.360 nan 0.000 0.475 52 V N 2.334 122.312 119.914 0.107 0.000 2.530 52 V HA 0.036 4.162 4.120 0.009 0.000 0.282 52 V C 1.116 177.336 176.094 0.209 0.000 1.048 52 V CA -0.013 62.348 62.300 0.101 0.000 0.997 52 V CB 1.394 33.202 31.823 -0.024 0.000 0.987 52 V HN 0.021 nan 8.190 nan 0.000 0.477 53 D N 2.850 123.325 120.400 0.124 0.000 2.354 53 D HA 0.386 5.031 4.640 0.009 0.000 0.209 53 D C 0.509 176.921 176.300 0.188 0.000 1.015 53 D CA 1.037 55.109 54.000 0.120 0.000 0.867 53 D CB 1.102 41.940 40.800 0.064 0.000 0.933 53 D HN 0.716 nan 8.370 nan 0.000 0.520 54 A N -0.083 122.873 122.820 0.227 0.000 2.571 54 A HA 0.436 4.762 4.320 0.009 0.000 0.296 54 A C -1.650 176.014 177.584 0.133 0.000 1.005 54 A CA -0.607 51.599 52.037 0.283 0.000 0.682 54 A CB 1.024 20.210 19.000 0.310 0.000 1.292 54 A HN -0.000 nan 8.150 nan 0.000 0.420 55 V N 1.073 121.073 119.914 0.143 0.000 2.823 55 V HA 0.925 5.050 4.120 0.009 0.000 0.312 55 V C -1.742 174.460 176.094 0.181 0.000 1.072 55 V CA -0.800 61.517 62.300 0.027 0.000 0.937 55 V CB 1.592 33.312 31.823 -0.171 0.000 1.013 55 V HN 1.054 nan 8.190 nan 0.000 0.430 56 L N 5.605 126.924 121.223 0.160 0.000 2.365 56 L HA 0.701 5.047 4.340 0.009 0.000 0.273 56 L C -0.850 176.184 176.870 0.273 0.000 1.000 56 L CA -0.370 54.629 54.840 0.265 0.000 0.819 56 L CB 1.777 43.971 42.059 0.224 0.000 1.284 56 L HN 0.598 nan 8.230 nan 0.000 0.418 57 L N 1.690 123.094 121.223 0.303 0.000 2.313 57 L HA 0.480 4.825 4.340 0.009 0.000 0.283 57 L C 1.255 178.171 176.870 0.077 0.000 1.013 57 L CA -0.034 54.905 54.840 0.165 0.000 0.816 57 L CB 1.653 43.755 42.059 0.072 0.000 1.236 57 L HN 0.804 nan 8.230 nan 0.000 0.419 58 T N -1.560 113.027 114.554 0.056 0.000 3.014 58 T HA 0.124 4.479 4.350 0.009 0.000 0.263 58 T C 0.459 175.112 174.700 -0.078 0.000 1.078 58 T CA 0.875 62.941 62.100 -0.057 0.000 1.135 58 T CB -0.237 68.682 68.868 0.085 0.000 0.895 58 T HN 0.686 nan 8.240 nan 0.000 0.480 59 H N -2.468 116.493 119.070 -0.182 0.000 2.935 59 H HA 0.574 5.136 4.556 0.009 0.000 0.297 59 H C 0.297 175.528 175.328 -0.162 0.000 1.423 59 H CA -0.438 55.468 56.048 -0.238 0.000 1.161 59 H CB 1.029 30.622 29.762 -0.282 0.000 1.841 59 H HN 0.008 nan 8.280 nan 0.000 0.506 60 A N 0.113 122.882 122.820 -0.085 0.000 2.235 60 A HA 0.031 4.356 4.320 0.009 0.000 0.208 60 A C 0.423 178.012 177.584 0.008 0.000 1.172 60 A CA 0.052 52.040 52.037 -0.081 0.000 0.786 60 A CB -1.266 17.673 19.000 -0.102 0.000 0.804 60 A HN 0.643 nan 8.150 nan 0.000 0.479 61 H N -1.197 117.941 119.070 0.113 0.000 2.972 61 H HA 0.059 4.620 4.556 0.009 0.000 0.343 61 H C 1.262 176.629 175.328 0.065 0.000 1.054 61 H CA -0.298 55.824 56.048 0.123 0.000 1.412 61 H CB 0.720 30.648 29.762 0.277 0.000 1.385 61 H HN 0.218 nan 8.280 nan 0.000 0.600 62 L N 2.620 123.973 121.223 0.216 0.000 2.189 62 L HA -0.205 4.141 4.340 0.009 0.000 0.214 62 L C 1.879 178.822 176.870 0.122 0.000 1.097 62 L CA 1.740 56.665 54.840 0.141 0.000 0.764 62 L CB -0.385 41.753 42.059 0.132 0.000 0.900 62 L HN 0.797 nan 8.230 nan 0.000 0.436 63 D N -2.947 117.550 120.400 0.160 0.000 2.338 63 D HA -0.149 4.496 4.640 0.009 0.000 0.239 63 D C 1.035 177.371 176.300 0.059 0.000 1.095 63 D CA 0.703 54.760 54.000 0.094 0.000 0.888 63 D CB -0.286 40.572 40.800 0.097 0.000 0.899 63 D HN 0.568 nan 8.370 nan 0.000 0.525 64 H N -1.305 117.731 119.070 -0.057 0.000 3.540 64 H HA 0.206 4.767 4.556 0.009 0.000 0.259 64 H C 0.796 176.066 175.328 -0.096 0.000 1.197 64 H CA 0.036 56.018 56.048 -0.110 0.000 1.136 64 H CB 1.721 31.306 29.762 -0.294 0.000 1.605 64 H HN 0.026 nan 8.280 nan 0.000 0.657 65 V N -0.448 119.498 119.914 0.052 0.000 3.408 65 V HA 0.092 4.217 4.120 0.009 0.000 0.263 65 V C 2.292 178.397 176.094 0.018 0.000 1.503 65 V CA 1.013 63.326 62.300 0.021 0.000 1.046 65 V CB 1.048 32.874 31.823 0.006 0.000 0.851 65 V HN 0.435 nan 8.190 nan 0.000 0.435 66 G N 0.515 109.342 108.800 0.045 0.000 2.485 66 G HA2 -0.239 3.727 3.960 0.009 0.000 0.221 66 G HA3 -0.239 3.727 3.960 0.009 0.000 0.221 66 G C 1.477 176.457 174.900 0.133 0.000 1.115 66 G CA 0.753 45.909 45.100 0.094 0.000 0.751 66 G HN 0.444 nan 8.290 nan 0.000 0.567 67 R N -0.798 119.765 120.500 0.105 0.000 2.393 67 R HA 0.274 4.619 4.340 0.009 0.000 0.244 67 R C 1.910 178.324 176.300 0.189 0.000 0.920 67 R CA -0.448 55.779 56.100 0.212 0.000 1.076 67 R CB -0.017 30.396 30.300 0.187 0.000 1.119 67 R HN 0.287 nan 8.270 nan 0.000 0.524 68 L N 2.725 123.987 121.223 0.064 0.000 2.012 68 L HA -0.103 4.243 4.340 0.009 0.000 0.210 68 L C -0.924 176.048 176.870 0.170 0.000 1.073 68 L CA 2.129 57.027 54.840 0.098 0.000 0.748 68 L CB -0.757 41.346 42.059 0.073 0.000 0.891 68 L HN 0.036 nan 8.230 nan 0.000 0.431 69 P HA -0.250 nan 4.420 nan 0.000 0.216 69 P C 1.451 178.820 177.300 0.115 0.000 1.150 69 P CA 1.714 64.752 63.100 -0.104 0.000 0.837 69 P CB -0.091 31.185 31.700 -0.708 0.000 0.786 70 K N -0.314 120.186 120.400 0.166 0.000 2.097 70 K HA -0.132 4.193 4.320 0.009 0.000 0.206 70 K C 2.247 179.098 176.600 0.419 0.000 1.049 70 K CA 0.789 57.296 56.287 0.368 0.000 0.933 70 K CB -0.657 32.123 32.500 0.467 0.000 0.717 70 K HN -0.041 nan 8.250 nan 0.000 0.442 71 L N 0.375 121.811 121.223 0.356 0.000 2.079 71 L HA -0.118 4.227 4.340 0.009 0.000 0.210 71 L C 1.752 178.573 176.870 -0.083 0.000 1.081 71 L CA 1.657 56.466 54.840 -0.052 0.000 0.752 71 L CB -0.291 41.532 42.059 -0.394 0.000 0.896 71 L HN 0.152 nan 8.230 nan 0.000 0.433 72 F N -0.890 119.107 119.950 0.079 0.000 2.293 72 F HA -0.020 4.515 4.527 0.013 0.000 0.297 72 F C 2.666 178.515 175.800 0.082 0.000 1.089 72 F CA 1.127 59.176 58.000 0.081 0.000 1.377 72 F CB -0.396 38.630 39.000 0.044 0.000 1.051 72 F HN -0.013 nan 8.300 nan 0.000 0.511 73 R N 0.993 121.653 120.500 0.267 0.000 2.105 73 R HA -0.150 4.196 4.340 0.009 0.000 0.239 73 R C 1.031 177.423 176.300 0.153 0.000 1.135 73 R CA 1.641 57.864 56.100 0.205 0.000 0.967 73 R CB -0.249 30.185 30.300 0.223 0.000 0.861 73 R HN 0.303 nan 8.270 nan 0.000 0.442 74 E N -1.404 118.886 120.200 0.151 0.000 2.368 74 E HA 0.122 4.477 4.350 0.009 0.000 0.188 74 E C 0.507 177.136 176.600 0.048 0.000 1.061 74 E CA 0.277 56.741 56.400 0.106 0.000 0.933 74 E CB 0.971 30.762 29.700 0.152 0.000 1.091 74 E HN 0.654 nan 8.360 nan 0.000 0.458 75 G N 1.198 110.020 108.800 0.036 0.000 2.697 75 G HA2 -0.292 3.673 3.960 0.009 0.000 0.200 75 G HA3 -0.292 3.673 3.960 0.009 0.000 0.200 75 G C -0.038 174.819 174.900 -0.072 0.000 1.106 75 G CA -0.401 44.696 45.100 -0.006 0.000 0.748 75 G HN 0.366 nan 8.290 nan 0.000 0.503 76 Y N 2.998 123.130 120.300 -0.279 0.000 2.987 76 Y HA 0.333 4.887 4.550 0.006 0.000 0.339 76 Y C 1.306 176.884 175.900 -0.537 0.000 1.272 76 Y CA 1.144 58.967 58.100 -0.463 0.000 1.562 76 Y CB 0.499 38.533 38.460 -0.709 0.000 1.253 76 Y HN 0.215 nan 8.280 nan 0.000 0.604 77 R N 4.370 124.230 120.500 -1.066 0.000 2.563 77 R HA 0.208 4.553 4.340 0.009 0.000 0.443 77 R C 0.264 176.059 176.300 -0.841 0.000 0.956 77 R CA 0.342 55.997 56.100 -0.741 0.000 1.141 77 R CB 0.545 30.683 30.300 -0.270 0.000 1.553 77 R HN 0.850 nan 8.270 nan 0.000 0.577 78 G N 1.890 109.717 108.800 -1.622 0.000 2.537 78 G HA2 0.421 4.386 3.960 0.009 0.000 0.297 78 G HA3 0.421 4.386 3.960 0.009 0.000 0.297 78 G C -2.466 172.395 174.900 -0.065 0.000 1.310 78 G CA -0.929 43.730 45.100 -0.734 0.000 1.027 78 G HN -0.137 nan 8.290 nan 0.000 0.505 79 P HA 0.332 nan 4.420 nan 0.000 0.276 79 P C -0.884 176.487 177.300 0.118 0.000 1.244 79 P CA -0.316 62.826 63.100 0.070 0.000 0.801 79 P CB 1.736 33.339 31.700 -0.161 0.000 1.006 80 V N 2.475 122.364 119.914 -0.042 0.000 2.398 80 V HA 0.239 4.364 4.120 0.009 0.000 0.282 80 V C -0.549 175.481 176.094 -0.107 0.000 1.014 80 V CA -0.555 61.773 62.300 0.048 0.000 0.838 80 V CB 0.250 32.188 31.823 0.192 0.000 1.018 80 V HN 0.383 nan 8.190 nan 0.000 0.432 81 Y N 2.547 122.916 120.300 0.116 0.000 2.307 81 Y HA 0.822 5.376 4.550 0.007 0.000 0.324 81 Y C 0.607 176.623 175.900 0.194 0.000 1.238 81 Y CA -0.124 58.039 58.100 0.106 0.000 1.280 81 Y CB 1.593 40.064 38.460 0.018 0.000 1.248 81 Y HN 0.809 nan 8.280 nan 0.000 0.508 82 A N 0.137 123.169 122.820 0.353 0.000 2.567 82 A HA 0.554 4.879 4.320 0.009 0.000 0.291 82 A C -0.485 177.177 177.584 0.129 0.000 1.048 82 A CA -0.685 51.496 52.037 0.240 0.000 0.661 82 A CB 0.191 19.223 19.000 0.053 0.000 1.288 82 A HN 0.752 nan 8.150 nan 0.000 0.424 83 T N -1.169 113.308 114.554 -0.129 0.000 2.898 83 T HA 0.360 4.716 4.350 0.009 0.000 0.301 83 T C 1.147 175.756 174.700 -0.151 0.000 1.049 83 T CA 0.477 62.474 62.100 -0.173 0.000 1.095 83 T CB 0.785 69.403 68.868 -0.417 0.000 0.976 83 T HN 0.913 nan 8.240 nan 0.000 0.539 84 R N 1.520 121.998 120.500 -0.036 0.000 2.119 84 R HA -0.153 4.192 4.340 0.009 0.000 0.246 84 R C 2.505 178.690 176.300 -0.192 0.000 1.146 84 R CA 1.962 58.044 56.100 -0.030 0.000 0.962 84 R CB -1.118 29.247 30.300 0.107 0.000 0.863 84 R HN 0.863 nan 8.270 nan 0.000 0.442 85 A N -0.616 121.874 122.820 -0.550 0.000 1.877 85 A HA -0.153 4.172 4.320 0.009 0.000 0.216 85 A C 2.226 179.529 177.584 -0.469 0.000 1.186 85 A CA 2.080 53.651 52.037 -0.777 0.000 0.620 85 A CB -1.030 16.906 19.000 -1.773 0.000 0.822 85 A HN 0.492 nan 8.150 nan 0.000 0.443 86 T N -0.141 114.153 114.554 -0.434 0.000 2.746 86 T HA -0.111 4.244 4.350 0.009 0.000 0.267 86 T C 1.893 176.487 174.700 -0.177 0.000 1.039 86 T CA 1.517 63.450 62.100 -0.278 0.000 1.142 86 T CB -0.505 68.209 68.868 -0.257 0.000 0.866 86 T HN 0.174 nan 8.240 nan 0.000 0.444 87 V N 1.657 121.481 119.914 -0.151 0.000 2.282 87 V HA -0.180 3.945 4.120 0.009 0.000 0.249 87 V C 2.451 178.495 176.094 -0.084 0.000 1.057 87 V CA 1.672 63.918 62.300 -0.091 0.000 1.032 87 V CB -0.763 31.022 31.823 -0.063 0.000 0.645 87 V HN 0.436 nan 8.190 nan 0.000 0.447 88 L N -1.199 119.965 121.223 -0.099 0.000 2.095 88 L HA -0.085 4.260 4.340 0.009 0.000 0.204 88 L C 2.424 179.256 176.870 -0.063 0.000 1.080 88 L CA 1.145 55.944 54.840 -0.069 0.000 0.759 88 L CB -0.511 41.512 42.059 -0.060 0.000 0.914 88 L HN 0.251 nan 8.230 nan 0.000 0.439 89 L N -0.727 120.439 121.223 -0.094 0.000 2.012 89 L HA -0.295 4.051 4.340 0.009 0.000 0.210 89 L C 2.742 179.583 176.870 -0.047 0.000 1.073 89 L CA 1.486 56.285 54.840 -0.069 0.000 0.748 89 L CB -0.332 41.658 42.059 -0.116 0.000 0.891 89 L HN 0.325 nan 8.230 nan 0.000 0.431 90 M N -0.536 119.027 119.600 -0.062 0.000 2.108 90 M HA -0.325 4.160 4.480 0.009 0.000 0.257 90 M C 2.240 178.525 176.300 -0.024 0.000 1.071 90 M CA 1.934 57.208 55.300 -0.042 0.000 1.093 90 M CB -0.195 32.373 32.600 -0.053 0.000 1.345 90 M HN 0.270 nan 8.290 nan 0.000 0.403 91 E N 0.371 120.555 120.200 -0.027 0.000 2.051 91 E HA -0.218 4.137 4.350 0.009 0.000 0.192 91 E C 1.792 178.394 176.600 0.003 0.000 0.991 91 E CA 1.686 58.077 56.400 -0.016 0.000 0.799 91 E CB -0.174 29.515 29.700 -0.019 0.000 0.748 91 E HN 0.623 nan 8.360 nan 0.000 0.449 92 I N 0.542 121.115 120.570 0.006 0.000 2.226 92 I HA -0.245 3.931 4.170 0.009 0.000 0.245 92 I C 2.418 178.556 176.117 0.034 0.000 1.100 92 I CA 0.659 61.971 61.300 0.019 0.000 1.374 92 I CB -0.239 37.772 38.000 0.018 0.000 1.057 92 I HN 0.048 nan 8.210 nan 0.000 0.413 93 V N 0.606 120.540 119.914 0.033 0.000 2.407 93 V HA -0.250 3.875 4.120 0.009 0.000 0.248 93 V C 2.373 178.510 176.094 0.070 0.000 1.055 93 V CA 1.464 63.798 62.300 0.056 0.000 1.049 93 V CB -0.484 31.370 31.823 0.051 0.000 0.662 93 V HN 0.273 nan 8.190 nan 0.000 0.455 94 L N -0.113 121.142 121.223 0.053 0.000 2.007 94 L HA -0.042 4.304 4.340 0.009 0.000 0.205 94 L C 2.622 179.561 176.870 0.115 0.000 1.073 94 L CA 1.657 56.543 54.840 0.077 0.000 0.744 94 L CB -1.201 40.869 42.059 0.018 0.000 0.898 94 L HN 0.311 nan 8.230 nan 0.000 0.435 95 E N -0.383 119.862 120.200 0.075 0.000 2.114 95 E HA -0.326 4.029 4.350 0.009 0.000 0.199 95 E C 1.823 178.462 176.600 0.064 0.000 1.008 95 E CA 1.870 58.310 56.400 0.065 0.000 0.810 95 E CB -0.421 29.302 29.700 0.040 0.000 0.739 95 E HN 0.568 nan 8.360 nan 0.000 0.456 96 D N 0.309 120.748 120.400 0.065 0.000 2.144 96 D HA -0.063 4.583 4.640 0.009 0.000 0.200 96 D C 1.907 178.252 176.300 0.074 0.000 0.978 96 D CA 1.500 55.537 54.000 0.063 0.000 0.833 96 D CB -0.024 40.815 40.800 0.065 0.000 0.961 96 D HN 0.143 nan 8.370 nan 0.000 0.470 97 A N 0.221 123.106 122.820 0.110 0.000 1.969 97 A HA -0.066 4.259 4.320 0.009 0.000 0.218 97 A C 2.252 179.880 177.584 0.073 0.000 1.169 97 A CA 0.832 52.950 52.037 0.136 0.000 0.635 97 A CB -0.766 18.366 19.000 0.221 0.000 0.810 97 A HN 0.423 nan 8.150 nan 0.000 0.445 98 L N -0.584 120.679 121.223 0.067 0.000 1.961 98 L HA -0.183 4.162 4.340 0.009 0.000 0.209 98 L C 2.576 179.388 176.870 -0.096 0.000 1.075 98 L CA 2.251 57.025 54.840 -0.109 0.000 0.749 98 L CB -0.456 41.590 42.059 -0.021 0.000 0.890 98 L HN 0.493 nan 8.230 nan 0.000 0.433 99 K N -0.300 120.083 120.400 -0.029 0.000 2.001 99 K HA -0.201 4.124 4.320 0.009 0.000 0.223 99 K C 0.777 177.370 176.600 -0.012 0.000 1.055 99 K CA 1.902 58.179 56.287 -0.017 0.000 0.965 99 K CB -0.302 32.203 32.500 0.009 0.000 0.730 99 K HN 0.231 nan 8.250 nan 0.000 0.449 100 V N 2.494 122.416 119.914 0.013 0.000 2.153 100 V HA 0.171 4.296 4.120 0.009 0.000 0.250 100 V C -0.121 175.989 176.094 0.026 0.000 1.334 100 V CA 0.336 62.652 62.300 0.026 0.000 1.249 100 V CB -0.530 31.322 31.823 0.049 0.000 1.371 100 V HN 0.354 nan 8.190 nan 0.000 0.498 101 M N 2.272 121.871 119.600 -0.002 0.000 2.265 101 M HA 0.322 4.807 4.480 0.009 0.000 0.262 101 M C 0.010 176.303 176.300 -0.011 0.000 1.026 101 M CA -0.384 54.914 55.300 -0.003 0.000 0.987 101 M CB 1.705 34.268 32.600 -0.062 0.000 1.937 101 M HN 0.407 nan 8.290 nan 0.000 0.481 102 D N 2.504 122.921 120.400 0.028 0.000 2.075 102 D HA -0.066 4.579 4.640 0.009 0.000 0.196 102 D C -0.248 176.075 176.300 0.039 0.000 0.985 102 D CA 1.373 55.391 54.000 0.030 0.000 0.834 102 D CB 0.242 41.070 40.800 0.046 0.000 0.987 102 D HN 0.570 nan 8.370 nan 0.000 0.452 103 E N 2.190 122.448 120.200 0.096 0.000 1.998 103 E HA 0.199 4.554 4.350 0.009 0.000 0.257 103 E C -2.105 174.620 176.600 0.207 0.000 1.038 103 E CA -1.690 54.811 56.400 0.170 0.000 0.869 103 E CB 1.025 30.893 29.700 0.280 0.000 1.135 103 E HN 0.289 nan 8.360 nan 0.000 0.430 104 P HA 0.053 nan 4.420 nan 0.000 0.276 104 P C 0.007 177.292 177.300 -0.024 0.000 1.253 104 P CA -0.299 62.695 63.100 -0.176 0.000 0.766 104 P CB 0.116 31.639 31.700 -0.295 0.000 0.845 105 F N 2.643 122.562 119.950 -0.051 0.000 2.641 105 F HA 0.447 4.979 4.527 0.008 0.000 0.302 105 F C -0.150 175.760 175.800 0.184 0.000 1.098 105 F CA -1.068 56.956 58.000 0.040 0.000 1.318 105 F CB -0.360 38.507 39.000 -0.222 0.000 1.035 105 F HN 0.123 nan 8.300 nan 0.000 0.551 106 F N -1.154 118.587 119.950 -0.349 0.000 2.773 106 F HA 0.898 5.430 4.527 0.009 0.000 0.314 106 F C -0.453 175.244 175.800 -0.172 0.000 1.160 106 F CA -1.588 56.282 58.000 -0.216 0.000 0.920 106 F CB 0.847 39.678 39.000 -0.282 0.000 1.323 106 F HN 0.027 nan 8.300 nan 0.000 0.457 107 G N -0.419 108.424 108.800 0.072 0.000 2.818 107 G HA2 0.614 4.580 3.960 0.009 0.000 0.286 107 G HA3 0.614 4.580 3.960 0.009 0.000 0.286 107 G C -2.637 172.332 174.900 0.114 0.000 1.364 107 G CA -1.776 43.299 45.100 -0.042 0.000 0.938 107 G HN 0.459 nan 8.290 nan 0.000 0.490 108 P HA -0.198 nan 4.420 nan 0.000 0.217 108 P C 1.461 178.802 177.300 0.069 0.000 1.151 108 P CA 1.764 64.901 63.100 0.061 0.000 0.849 108 P CB 0.128 31.839 31.700 0.020 0.000 0.787 109 E N 0.489 120.727 120.200 0.064 0.000 2.160 109 E HA -0.209 4.147 4.350 0.009 0.000 0.195 109 E C 1.352 177.997 176.600 0.074 0.000 0.991 109 E CA 1.316 57.752 56.400 0.059 0.000 0.810 109 E CB -1.112 28.623 29.700 0.059 0.000 0.742 109 E HN 0.290 nan 8.360 nan 0.000 0.466 110 D N 1.208 121.680 120.400 0.119 0.000 2.137 110 D HA -0.056 4.590 4.640 0.009 0.000 0.202 110 D C 2.345 178.661 176.300 0.026 0.000 0.970 110 D CA 1.065 55.138 54.000 0.121 0.000 0.837 110 D CB -0.142 40.779 40.800 0.201 0.000 0.981 110 D HN 0.102 nan 8.370 nan 0.000 0.475 111 V N 1.679 121.628 119.914 0.059 0.000 2.255 111 V HA -0.273 3.852 4.120 0.009 0.000 0.247 111 V C 2.571 178.620 176.094 -0.074 0.000 1.051 111 V CA 2.087 64.375 62.300 -0.020 0.000 1.018 111 V CB -0.614 31.252 31.823 0.070 0.000 0.641 111 V HN 0.230 nan 8.190 nan 0.000 0.445 112 E N 0.165 120.346 120.200 -0.032 0.000 2.033 112 E HA -0.350 4.005 4.350 0.009 0.000 0.199 112 E C 2.205 178.748 176.600 -0.095 0.000 1.011 112 E CA 2.032 58.403 56.400 -0.050 0.000 0.815 112 E CB -0.195 29.495 29.700 -0.016 0.000 0.755 112 E HN 0.619 nan 8.360 nan 0.000 0.451 113 E N 0.428 120.582 120.200 -0.078 0.000 2.070 113 E HA -0.221 4.134 4.350 0.009 0.000 0.197 113 E C 1.786 178.162 176.600 -0.373 0.000 1.004 113 E CA 1.863 58.210 56.400 -0.088 0.000 0.805 113 E CB -0.514 29.199 29.700 0.023 0.000 0.744 113 E HN 0.386 nan 8.360 nan 0.000 0.451 114 A N 0.338 122.775 122.820 -0.640 0.000 1.883 114 A HA -0.157 4.168 4.320 0.009 0.000 0.217 114 A C 2.378 179.624 177.584 -0.563 0.000 1.186 114 A CA 1.668 53.023 52.037 -1.137 0.000 0.624 114 A CB -0.850 17.815 19.000 -0.558 0.000 0.822 114 A HN 0.355 nan 8.150 nan 0.000 0.444 115 L N -0.623 120.428 121.223 -0.287 0.000 2.201 115 L HA -0.098 4.248 4.340 0.009 0.000 0.212 115 L C 2.743 179.522 176.870 -0.151 0.000 1.105 115 L CA 0.774 55.514 54.840 -0.167 0.000 0.775 115 L CB -0.690 41.302 42.059 -0.111 0.000 0.913 115 L HN 0.504 nan 8.230 nan 0.000 0.440 116 G N -0.950 107.747 108.800 -0.171 0.000 2.450 116 G HA2 -0.262 3.703 3.960 0.009 0.000 0.220 116 G HA3 -0.262 3.703 3.960 0.009 0.000 0.220 116 G C 0.959 175.687 174.900 -0.286 0.000 1.130 116 G CA 0.653 45.630 45.100 -0.205 0.000 0.760 116 G HN 0.471 nan 8.290 nan 0.000 0.557 117 H N -0.633 118.331 119.070 -0.177 0.000 2.529 117 H HA 0.375 4.937 4.556 0.010 0.000 0.277 117 H C 0.689 175.964 175.328 -0.089 0.000 1.004 117 H CA -0.477 55.527 56.048 -0.073 0.000 1.167 117 H CB 0.107 29.931 29.762 0.104 0.000 1.445 117 H HN 0.163 nan 8.280 nan 0.000 0.554 118 L N 1.644 122.848 121.223 -0.033 0.000 2.453 118 L HA 0.227 4.572 4.340 0.009 0.000 0.272 118 L C 0.271 177.083 176.870 -0.096 0.000 1.182 118 L CA 0.389 55.194 54.840 -0.058 0.000 0.858 118 L CB 0.567 42.595 42.059 -0.053 0.000 1.120 118 L HN 0.213 nan 8.230 nan 0.000 0.474 119 R N 4.001 124.420 120.500 -0.136 0.000 2.621 119 R HA 0.417 4.762 4.340 0.009 0.000 0.284 119 R C -2.605 173.707 176.300 0.020 0.000 0.998 119 R CA -1.806 54.232 56.100 -0.103 0.000 0.895 119 R CB 2.268 32.430 30.300 -0.230 0.000 1.195 119 R HN 0.353 nan 8.270 nan 0.000 0.450 120 P HA 0.140 nan 4.420 nan 0.000 0.276 120 P C -1.133 176.260 177.300 0.156 0.000 1.230 120 P CA -0.411 62.747 63.100 0.097 0.000 0.776 120 P CB 1.121 32.856 31.700 0.059 0.000 0.888 121 L N 3.087 124.417 121.223 0.178 0.000 2.482 121 L HA 0.419 4.765 4.340 0.009 0.000 0.269 121 L C -0.481 176.467 176.870 0.131 0.000 0.967 121 L CA -0.332 54.579 54.840 0.119 0.000 0.851 121 L CB 1.587 43.670 42.059 0.039 0.000 1.242 121 L HN 0.201 nan 8.230 nan 0.000 0.404 122 E N 3.002 123.222 120.200 0.034 0.000 2.232 122 E HA 0.288 4.644 4.350 0.009 0.000 0.265 122 E C -1.009 175.558 176.600 -0.054 0.000 1.001 122 E CA -0.643 55.738 56.400 -0.032 0.000 0.870 122 E CB 0.726 30.434 29.700 0.014 0.000 1.175 122 E HN 0.412 nan 8.360 nan 0.000 0.407 123 Y N 0.260 120.595 120.300 0.058 0.000 2.895 123 Y HA 0.098 4.654 4.550 0.009 0.000 0.334 123 Y C 1.734 177.571 175.900 -0.105 0.000 1.261 123 Y CA 1.607 59.688 58.100 -0.032 0.000 1.560 123 Y CB -0.204 38.212 38.460 -0.073 0.000 1.253 123 Y HN 0.772 nan 8.280 nan 0.000 0.582 124 G N 2.066 110.817 108.800 -0.082 0.000 2.198 124 G HA2 -0.267 3.698 3.960 0.009 0.000 0.257 124 G HA3 -0.267 3.698 3.960 0.009 0.000 0.257 124 G C -0.350 174.410 174.900 -0.234 0.000 1.042 124 G CA -0.080 44.904 45.100 -0.193 0.000 0.791 124 G HN 0.635 nan 8.290 nan 0.000 0.502 125 E N -0.923 119.080 120.200 -0.328 0.000 2.216 125 E HA 0.406 4.761 4.350 0.009 0.000 0.260 125 E C -0.587 175.823 176.600 -0.317 0.000 0.880 125 E CA -0.899 55.382 56.400 -0.200 0.000 0.765 125 E CB 1.065 30.706 29.700 -0.099 0.000 1.174 125 E HN 0.331 nan 8.360 nan 0.000 0.417 126 W N 3.541 124.789 121.300 -0.087 0.000 2.322 126 W HA 0.271 4.936 4.660 0.008 0.000 0.307 126 W C -0.046 176.378 176.519 -0.159 0.000 1.220 126 W CA -0.555 56.718 57.345 -0.121 0.000 1.210 126 W CB 0.418 29.831 29.460 -0.078 0.000 1.223 126 W HN 0.337 nan 8.180 nan 0.000 0.511 127 L N 4.954 126.170 121.223 -0.012 0.000 2.357 127 L HA 0.567 4.913 4.340 0.009 0.000 0.273 127 L C -0.371 176.476 176.870 -0.037 0.000 1.080 127 L CA -0.690 54.055 54.840 -0.158 0.000 0.803 127 L CB 0.581 42.375 42.059 -0.442 0.000 1.174 127 L HN 0.289 nan 8.230 nan 0.000 0.443 128 R N 6.374 126.847 120.500 -0.046 0.000 2.439 128 R HA 0.591 4.936 4.340 0.009 0.000 0.310 128 R C -1.640 174.648 176.300 -0.020 0.000 0.955 128 R CA -0.508 55.582 56.100 -0.017 0.000 0.853 128 R CB 1.341 31.638 30.300 -0.005 0.000 1.171 128 R HN 0.673 nan 8.270 nan 0.000 0.449 129 L N 2.102 123.317 121.223 -0.014 0.000 2.457 129 L HA 0.408 4.754 4.340 0.009 0.000 0.266 129 L C 0.921 177.790 176.870 -0.001 0.000 0.979 129 L CA -0.576 54.264 54.840 -0.001 0.000 0.857 129 L CB 1.831 43.891 42.059 0.001 0.000 1.213 129 L HN 0.904 nan 8.230 nan 0.000 0.418 130 G N 2.912 111.712 108.800 0.001 0.000 2.583 130 G HA2 -0.341 3.624 3.960 0.009 0.000 0.292 130 G HA3 -0.341 3.624 3.960 0.009 0.000 0.292 130 G C 0.604 175.498 174.900 -0.009 0.000 1.203 130 G CA 0.504 45.603 45.100 -0.002 0.000 0.987 130 G HN 0.892 nan 8.290 nan 0.000 0.554 131 A N -0.337 122.477 122.820 -0.011 0.000 2.379 131 A HA 0.688 5.013 4.320 0.009 0.000 0.236 131 A C 0.950 178.522 177.584 -0.019 0.000 1.272 131 A CA 0.328 52.354 52.037 -0.019 0.000 0.886 131 A CB -0.145 18.844 19.000 -0.018 0.000 0.962 131 A HN 0.626 nan 8.150 nan 0.000 0.504 132 L N 0.715 121.931 121.223 -0.011 0.000 2.357 132 L HA 0.390 4.735 4.340 0.009 0.000 0.273 132 L C -0.300 176.574 176.870 0.006 0.000 1.080 132 L CA -0.241 54.599 54.840 -0.000 0.000 0.803 132 L CB 1.792 43.853 42.059 0.004 0.000 1.174 132 L HN 0.143 nan 8.230 nan 0.000 0.443 133 S N 4.176 119.899 115.700 0.039 0.000 2.707 133 S HA 0.669 5.145 4.470 0.009 0.000 0.303 133 S C -0.727 174.042 174.600 0.283 0.000 1.132 133 S CA -0.598 57.667 58.200 0.109 0.000 1.046 133 S CB 1.361 64.528 63.200 -0.055 0.000 1.004 133 S HN 0.293 nan 8.310 nan 0.000 0.483 134 L N 2.158 123.544 121.223 0.271 0.000 2.341 134 L HA 1.014 5.359 4.340 0.009 0.000 0.267 134 L C -0.148 176.641 176.870 -0.134 0.000 1.009 134 L CA -0.575 54.327 54.840 0.104 0.000 0.819 134 L CB 1.875 43.879 42.059 -0.092 0.000 1.323 134 L HN 0.775 nan 8.230 nan 0.000 0.425 135 A N 0.938 123.499 122.820 -0.431 0.000 2.594 135 A HA 0.767 5.092 4.320 0.009 0.000 0.296 135 A C -1.557 175.743 177.584 -0.475 0.000 1.061 135 A CA -0.471 51.080 52.037 -0.810 0.000 0.689 135 A CB 0.874 18.803 19.000 -1.785 0.000 1.280 135 A HN 0.321 nan 8.150 nan 0.000 0.406 136 F N 0.760 120.471 119.950 -0.399 0.000 2.371 136 F HA 0.660 5.192 4.527 0.009 0.000 0.329 136 F C 1.175 176.735 175.800 -0.401 0.000 1.107 136 F CA -0.107 57.687 58.000 -0.343 0.000 1.137 136 F CB 1.821 40.604 39.000 -0.361 0.000 1.214 136 F HN 0.760 nan 8.300 nan 0.000 0.536 137 G N 0.661 109.168 108.800 -0.489 0.000 2.571 137 G HA2 0.435 4.401 3.960 0.009 0.000 0.304 137 G HA3 0.435 4.401 3.960 0.009 0.000 0.304 137 G C -1.565 172.960 174.900 -0.625 0.000 1.314 137 G CA -0.769 43.761 45.100 -0.951 0.000 0.975 137 G HN 0.419 nan 8.290 nan 0.000 0.485 138 Q N 0.622 120.209 119.800 -0.355 0.000 2.242 138 Q HA 0.410 4.755 4.340 0.009 0.000 0.284 138 Q C 0.915 176.900 176.000 -0.026 0.000 1.130 138 Q CA 0.823 56.420 55.803 -0.343 0.000 0.940 138 Q CB 0.969 29.481 28.738 -0.376 0.000 1.146 138 Q HN 0.635 nan 8.270 nan 0.000 0.388 139 A N 3.739 126.558 122.820 -0.001 0.000 2.115 139 A HA 0.379 4.704 4.320 0.009 0.000 0.211 139 A C 1.342 178.912 177.584 -0.024 0.000 1.169 139 A CA 0.515 52.594 52.037 0.071 0.000 0.787 139 A CB -0.449 18.564 19.000 0.021 0.000 0.858 139 A HN 1.354 nan 8.150 nan 0.000 0.474 140 G N -0.857 107.904 108.800 -0.066 0.000 2.305 140 G HA2 -0.337 3.628 3.960 0.009 0.000 0.287 140 G HA3 -0.337 3.628 3.960 0.009 0.000 0.287 140 G C 0.414 175.271 174.900 -0.070 0.000 1.036 140 G CA 1.214 46.265 45.100 -0.082 0.000 0.887 140 G HN 0.904 nan 8.290 nan 0.000 0.505 141 H N -1.111 117.822 119.070 -0.229 0.000 3.017 141 H HA 0.659 5.220 4.556 0.009 0.000 0.255 141 H C 0.826 175.966 175.328 -0.313 0.000 0.990 141 H CA 0.612 56.485 56.048 -0.292 0.000 1.205 141 H CB 0.437 29.962 29.762 -0.396 0.000 1.460 141 H HN 0.367 nan 8.280 nan 0.000 0.478 142 L N 0.647 121.634 121.223 -0.394 0.000 2.582 142 L HA 0.370 4.715 4.340 0.009 0.000 0.257 142 L C -2.673 173.979 176.870 -0.363 0.000 0.974 142 L CA -2.168 52.406 54.840 -0.443 0.000 0.851 142 L CB 2.692 44.420 42.059 -0.552 0.000 1.424 142 L HN -0.015 nan 8.230 nan 0.000 0.412 143 P HA 0.124 nan 4.420 nan 0.000 0.263 143 P C 0.350 177.327 177.300 -0.538 0.000 1.195 143 P CA 0.896 63.654 63.100 -0.570 0.000 0.762 143 P CB 0.491 31.704 31.700 -0.812 0.000 0.799 144 G N 2.154 110.715 108.800 -0.399 0.000 2.176 144 G HA2 -0.206 3.759 3.960 0.009 0.000 0.252 144 G HA3 -0.206 3.759 3.960 0.009 0.000 0.252 144 G C 0.202 174.926 174.900 -0.293 0.000 1.024 144 G CA 0.203 45.051 45.100 -0.420 0.000 0.755 144 G HN 0.734 nan 8.290 nan 0.000 0.507 145 S N -0.827 114.783 115.700 -0.150 0.000 2.578 145 S HA 0.945 5.421 4.470 0.009 0.000 0.283 145 S C 0.168 174.712 174.600 -0.093 0.000 1.195 145 S CA 0.503 58.599 58.200 -0.172 0.000 1.050 145 S CB 2.618 65.706 63.200 -0.186 0.000 1.012 145 S HN 1.990 nan 8.310 nan 0.000 0.511 146 A N 1.812 124.493 122.820 -0.232 0.000 2.569 146 A HA 0.829 5.155 4.320 0.009 0.000 0.290 146 A C -0.812 176.721 177.584 -0.085 0.000 1.136 146 A CA -1.167 50.747 52.037 -0.206 0.000 0.710 146 A CB 0.903 19.583 19.000 -0.533 0.000 1.303 146 A HN 1.250 nan 8.150 nan 0.000 0.413 147 F N -0.335 119.652 119.950 0.062 0.000 2.470 147 F HA 0.806 5.338 4.527 0.008 0.000 0.329 147 F C -0.486 175.440 175.800 0.210 0.000 1.072 147 F CA -1.249 56.780 58.000 0.049 0.000 0.989 147 F CB 1.282 40.367 39.000 0.140 0.000 1.193 147 F HN 0.262 nan 8.300 nan 0.000 0.481 148 V N 2.928 123.152 119.914 0.517 0.000 2.439 148 V HA 0.391 4.517 4.120 0.009 0.000 0.282 148 V C -0.295 176.069 176.094 0.449 0.000 1.039 148 V CA -0.847 61.726 62.300 0.456 0.000 0.913 148 V CB 1.340 33.436 31.823 0.455 0.000 0.983 148 V HN 0.719 nan 8.190 nan 0.000 0.460 149 V N 4.447 124.537 119.914 0.294 0.000 2.313 149 V HA 0.676 4.801 4.120 0.009 0.000 0.278 149 V C 0.377 176.597 176.094 0.210 0.000 1.017 149 V CA -0.386 62.078 62.300 0.274 0.000 0.823 149 V CB 1.276 33.254 31.823 0.258 0.000 1.010 149 V HN 0.982 nan 8.190 nan 0.000 0.443 150 A N 5.107 128.045 122.820 0.197 0.000 2.271 150 A HA 0.779 5.104 4.320 0.009 0.000 0.317 150 A C -0.436 177.233 177.584 0.141 0.000 1.245 150 A CA -0.504 51.625 52.037 0.154 0.000 0.857 150 A CB 1.140 20.206 19.000 0.111 0.000 1.175 150 A HN 0.757 nan 8.150 nan 0.000 0.512 151 Q N 2.155 122.039 119.800 0.140 0.000 2.347 151 Q HA 0.654 4.999 4.340 0.009 0.000 0.271 151 Q C -0.554 175.466 176.000 0.033 0.000 1.064 151 Q CA -0.440 55.413 55.803 0.083 0.000 0.800 151 Q CB 2.243 31.034 28.738 0.088 0.000 1.304 151 Q HN 1.365 nan 8.270 nan 0.000 0.438 152 G N 1.652 110.459 108.800 0.012 0.000 2.377 152 G HA2 0.215 4.181 3.960 0.009 0.000 0.297 152 G HA3 0.215 4.181 3.960 0.009 0.000 0.297 152 G C -1.170 173.726 174.900 -0.007 0.000 1.547 152 G CA -0.341 44.756 45.100 -0.005 0.000 0.833 152 G HN 0.732 nan 8.290 nan 0.000 0.583 153 E N -1.032 119.160 120.200 -0.013 0.000 2.513 153 E HA -0.228 4.128 4.350 0.009 0.000 0.257 153 E C 1.468 178.061 176.600 -0.013 0.000 1.098 153 E CA 1.385 57.777 56.400 -0.012 0.000 0.752 153 E CB -1.329 28.366 29.700 -0.008 0.000 1.324 153 E HN 2.542 nan 8.360 nan 0.000 0.403 154 G N -0.260 108.530 108.800 -0.018 0.000 2.175 154 G HA2 -0.388 3.578 3.960 0.009 0.000 0.265 154 G HA3 -0.388 3.578 3.960 0.009 0.000 0.265 154 G C 0.269 175.163 174.900 -0.011 0.000 0.979 154 G CA 1.048 46.137 45.100 -0.018 0.000 0.663 154 G HN 0.216 nan 8.290 nan 0.000 0.533 155 R N -0.435 120.062 120.500 -0.005 0.000 2.828 155 R HA 0.750 5.096 4.340 0.009 0.000 0.264 155 R C -0.755 175.554 176.300 0.015 0.000 1.022 155 R CA -0.400 55.701 56.100 0.002 0.000 1.021 155 R CB 1.241 31.542 30.300 0.002 0.000 1.163 155 R HN 0.110 nan 8.270 nan 0.000 0.494 156 T N 1.897 116.464 114.554 0.022 0.000 2.879 156 T HA 0.440 4.795 4.350 0.009 0.000 0.290 156 T C -0.873 173.855 174.700 0.047 0.000 0.993 156 T CA -0.578 61.548 62.100 0.044 0.000 0.975 156 T CB 1.302 70.198 68.868 0.045 0.000 0.981 156 T HN 0.366 nan 8.240 nan 0.000 0.439 157 L N 4.022 125.288 121.223 0.072 0.000 2.342 157 L HA 0.933 5.278 4.340 0.009 0.000 0.271 157 L C -1.454 175.492 176.870 0.126 0.000 1.008 157 L CA -0.602 54.284 54.840 0.078 0.000 0.818 157 L CB 1.816 43.917 42.059 0.070 0.000 1.296 157 L HN 0.440 nan 8.230 nan 0.000 0.427 158 V N 4.475 124.468 119.914 0.132 0.000 2.525 158 V HA 0.319 4.444 4.120 0.009 0.000 0.299 158 V C -1.384 174.882 176.094 0.286 0.000 1.034 158 V CA -0.426 61.991 62.300 0.195 0.000 0.863 158 V CB 1.553 33.412 31.823 0.060 0.000 0.999 158 V HN 0.728 nan 8.190 nan 0.000 0.423 159 Y N 4.400 124.832 120.300 0.221 0.000 2.417 159 Y HA 0.303 4.860 4.550 0.011 0.000 0.336 159 Y C 1.553 177.638 175.900 0.308 0.000 0.961 159 Y CA -0.093 58.130 58.100 0.205 0.000 1.215 159 Y CB 1.871 40.449 38.460 0.196 0.000 1.120 159 Y HN 0.798 nan 8.280 nan 0.000 0.499 160 S N 4.032 119.777 115.700 0.074 0.000 2.400 160 S HA 0.067 4.543 4.470 0.009 0.000 0.232 160 S C 1.302 175.678 174.600 -0.373 0.000 1.025 160 S CA 0.808 58.938 58.200 -0.117 0.000 0.993 160 S CB -0.853 62.173 63.200 -0.289 0.000 0.808 160 S HN 1.416 nan 8.310 nan 0.000 0.478 161 G N 1.464 109.732 108.800 -0.887 0.000 2.601 161 G HA2 -0.215 3.750 3.960 0.009 0.000 0.261 161 G HA3 -0.215 3.750 3.960 0.009 0.000 0.261 161 G C -1.125 173.631 174.900 -0.239 0.000 1.289 161 G CA 0.125 44.879 45.100 -0.578 0.000 0.920 161 G HN 0.520 nan 8.290 nan 0.000 0.571 162 D N 0.296 120.587 120.400 -0.182 0.000 2.225 162 D HA 0.547 5.192 4.640 0.009 0.000 0.248 162 D C 0.149 176.166 176.300 -0.472 0.000 1.096 162 D CA -0.317 53.432 54.000 -0.419 0.000 0.863 162 D CB 1.403 41.771 40.800 -0.721 0.000 1.156 162 D HN 0.275 nan 8.370 nan 0.000 0.450 163 L N 2.167 123.126 121.223 -0.440 0.000 2.275 163 L HA 0.436 4.781 4.340 0.009 0.000 0.288 163 L C 1.227 177.948 176.870 -0.249 0.000 1.046 163 L CA -0.411 54.190 54.840 -0.399 0.000 0.805 163 L CB 1.109 42.805 42.059 -0.605 0.000 1.193 163 L HN 0.370 nan 8.230 nan 0.000 0.426 164 G N 2.159 110.889 108.800 -0.118 0.000 2.621 164 G HA2 0.057 4.022 3.960 0.009 0.000 0.271 164 G HA3 0.057 4.022 3.960 0.009 0.000 0.271 164 G C -0.013 174.873 174.900 -0.023 0.000 1.236 164 G CA -0.581 44.524 45.100 0.007 0.000 0.958 164 G HN 0.740 nan 8.290 nan 0.000 0.512 165 N N -0.555 118.140 118.700 -0.008 0.000 2.439 165 N HA 0.093 4.838 4.740 0.009 0.000 0.243 165 N C 1.823 177.311 175.510 -0.037 0.000 1.088 165 N CA -0.508 52.539 53.050 -0.005 0.000 0.940 165 N CB 0.365 38.818 38.487 -0.056 0.000 1.180 165 N HN 0.551 nan 8.380 nan 0.000 0.505 166 R N 2.528 123.018 120.500 -0.016 0.000 2.249 166 R HA -0.138 4.207 4.340 0.009 0.000 0.230 166 R C 0.959 177.227 176.300 -0.052 0.000 1.121 166 R CA 1.200 57.285 56.100 -0.026 0.000 0.997 166 R CB -0.113 30.192 30.300 0.008 0.000 0.867 166 R HN 0.612 nan 8.270 nan 0.000 0.465 167 E N 1.232 121.398 120.200 -0.057 0.000 2.152 167 E HA -0.029 4.327 4.350 0.009 0.000 0.192 167 E C 0.111 176.499 176.600 -0.354 0.000 0.983 167 E CA 0.508 56.857 56.400 -0.085 0.000 0.818 167 E CB 0.172 29.890 29.700 0.030 0.000 0.758 167 E HN 0.392 nan 8.360 nan 0.000 0.467 168 K N 0.927 121.037 120.400 -0.482 0.000 2.285 168 K HA -0.045 4.280 4.320 0.009 0.000 0.255 168 K C 0.435 176.730 176.600 -0.509 0.000 1.000 168 K CA 0.212 55.982 56.287 -0.862 0.000 0.887 168 K CB 0.351 32.637 32.500 -0.357 0.000 0.997 168 K HN -0.038 nan 8.250 nan 0.000 0.510 169 D N 0.010 120.189 120.400 -0.368 0.000 2.380 169 D HA -0.024 4.621 4.640 0.009 0.000 0.212 169 D C 1.800 178.025 176.300 -0.126 0.000 1.021 169 D CA 0.472 54.409 54.000 -0.104 0.000 0.884 169 D CB 0.183 41.081 40.800 0.163 0.000 1.001 169 D HN 0.143 nan 8.370 nan 0.000 0.506 170 V N 1.535 121.355 119.914 -0.158 0.000 2.237 170 V HA -0.147 3.979 4.120 0.009 0.000 0.245 170 V C 1.189 177.335 176.094 0.086 0.000 1.046 170 V CA 1.109 63.336 62.300 -0.121 0.000 1.007 170 V CB -0.224 31.621 31.823 0.037 0.000 0.638 170 V HN 0.113 nan 8.190 nan 0.000 0.445 171 L N 0.573 121.822 121.223 0.043 0.000 2.416 171 L HA 0.435 4.780 4.340 0.009 0.000 0.262 171 L C -2.099 174.756 176.870 -0.026 0.000 1.093 171 L CA -2.145 52.705 54.840 0.016 0.000 0.801 171 L CB -0.264 41.759 42.059 -0.061 0.000 1.191 171 L HN 0.122 nan 8.230 nan 0.000 0.459 172 P HA 0.144 nan 4.420 nan 0.000 0.276 172 P C -0.886 176.379 177.300 -0.059 0.000 1.261 172 P CA -0.642 62.422 63.100 -0.060 0.000 0.800 172 P CB 0.781 32.423 31.700 -0.095 0.000 1.066 173 D N 1.003 121.381 120.400 -0.038 0.000 2.414 173 D HA 0.181 4.827 4.640 0.009 0.000 0.242 173 D C -1.961 174.345 176.300 0.010 0.000 1.129 173 D CA -0.816 53.177 54.000 -0.011 0.000 0.885 173 D CB -0.630 40.176 40.800 0.010 0.000 1.198 173 D HN 0.172 nan 8.370 nan 0.000 0.437 174 P HA -0.011 nan 4.420 nan 0.000 0.266 174 P C -0.242 177.195 177.300 0.228 0.000 1.195 174 P CA 0.034 63.203 63.100 0.115 0.000 0.768 174 P CB 0.590 32.322 31.700 0.053 0.000 0.838 175 S N 2.873 118.779 115.700 0.344 0.000 2.601 175 S HA 0.294 4.769 4.470 0.009 0.000 0.271 175 S C 0.026 174.910 174.600 0.474 0.000 1.305 175 S CA -0.655 57.757 58.200 0.353 0.000 1.022 175 S CB -0.079 63.328 63.200 0.344 0.000 0.940 175 S HN 0.233 nan 8.310 nan 0.000 0.525 176 L N 4.464 125.809 121.223 0.203 0.000 2.464 176 L HA 0.408 4.754 4.340 0.009 0.000 0.264 176 L C -1.656 175.085 176.870 -0.216 0.000 1.199 176 L CA -1.729 53.053 54.840 -0.096 0.000 0.818 176 L CB 0.573 42.559 42.059 -0.122 0.000 1.102 176 L HN 0.608 nan 8.230 nan 0.000 0.473 177 P HA 0.327 nan 4.420 nan 0.000 0.281 177 P C -2.705 174.400 177.300 -0.326 0.000 1.264 177 P CA -1.691 60.984 63.100 -0.708 0.000 0.824 177 P CB 0.581 31.464 31.700 -1.362 0.000 1.092 178 P HA 0.174 nan 4.420 nan 0.000 0.276 178 P C -0.272 176.965 177.300 -0.104 0.000 1.252 178 P CA -0.491 62.584 63.100 -0.043 0.000 0.802 178 P CB 0.480 32.225 31.700 0.075 0.000 1.035 179 L N 0.998 122.179 121.223 -0.071 0.000 2.513 179 L HA 0.364 4.709 4.340 0.009 0.000 0.272 179 L C 0.047 176.886 176.870 -0.051 0.000 1.187 179 L CA 0.504 55.298 54.840 -0.077 0.000 0.895 179 L CB -0.729 41.300 42.059 -0.051 0.000 1.147 179 L HN 0.598 nan 8.230 nan 0.000 0.483 180 A N 3.854 126.636 122.820 -0.063 0.000 2.479 180 A HA 0.500 4.825 4.320 0.009 0.000 0.296 180 A C 0.395 177.964 177.584 -0.026 0.000 1.121 180 A CA -0.527 51.491 52.037 -0.032 0.000 0.743 180 A CB 0.797 19.780 19.000 -0.028 0.000 1.323 180 A HN 0.743 nan 8.150 nan 0.000 0.415 181 D N -0.745 119.649 120.400 -0.009 0.000 2.194 181 D HA 0.080 4.725 4.640 0.009 0.000 0.204 181 D C -0.177 176.118 176.300 -0.009 0.000 0.964 181 D CA 1.459 55.453 54.000 -0.009 0.000 0.846 181 D CB 0.279 41.076 40.800 -0.004 0.000 0.962 181 D HN 0.261 nan 8.370 nan 0.000 0.490 182 L N 0.365 121.587 121.223 -0.002 0.000 2.482 182 L HA 0.330 4.676 4.340 0.009 0.000 0.263 182 L C -1.601 175.278 176.870 0.015 0.000 0.957 182 L CA -0.677 54.164 54.840 0.002 0.000 0.836 182 L CB 2.544 44.604 42.059 0.002 0.000 1.324 182 L HN -0.358 nan 8.230 nan 0.000 0.406 183 V N 5.404 125.329 119.914 0.019 0.000 2.407 183 V HA 0.442 4.567 4.120 0.009 0.000 0.291 183 V C -0.584 175.559 176.094 0.082 0.000 1.018 183 V CA -0.503 61.829 62.300 0.053 0.000 0.842 183 V CB 1.561 33.399 31.823 0.026 0.000 0.996 183 V HN 0.656 nan 8.190 nan 0.000 0.426 184 L N 5.864 127.160 121.223 0.121 0.000 2.270 184 L HA 0.837 5.183 4.340 0.009 0.000 0.286 184 L C 0.252 177.237 176.870 0.191 0.000 1.059 184 L CA 0.362 55.259 54.840 0.095 0.000 0.839 184 L CB 0.489 42.559 42.059 0.019 0.000 1.221 184 L HN 0.743 nan 8.230 nan 0.000 0.431 185 A N 4.032 126.934 122.820 0.136 0.000 2.384 185 A HA 0.737 5.062 4.320 0.009 0.000 0.312 185 A C -0.600 177.024 177.584 0.067 0.000 1.113 185 A CA -0.684 51.424 52.037 0.119 0.000 0.779 185 A CB 0.983 20.080 19.000 0.161 0.000 1.307 185 A HN 0.766 nan 8.150 nan 0.000 0.436 186 E N -0.130 120.064 120.200 -0.010 0.000 2.342 186 E HA 0.578 4.933 4.350 0.009 0.000 0.257 186 E C 0.345 176.915 176.600 -0.050 0.000 1.150 186 E CA -0.188 56.192 56.400 -0.033 0.000 0.926 186 E CB 0.909 30.466 29.700 -0.239 0.000 1.074 186 E HN 0.807 nan 8.360 nan 0.000 0.449 187 G N 0.580 109.359 108.800 -0.035 0.000 5.252 187 G HA2 0.047 4.013 3.960 0.009 0.000 0.214 187 G HA3 0.047 4.013 3.960 0.009 0.000 0.214 187 G C 0.413 175.286 174.900 -0.044 0.000 0.817 187 G CA -0.019 45.065 45.100 -0.026 0.000 0.715 187 G HN 0.479 nan 8.290 nan 0.000 0.480 188 T N 0.033 114.525 114.554 -0.104 0.000 2.721 188 T HA -0.195 4.160 4.350 0.009 0.000 0.268 188 T C 0.673 175.225 174.700 -0.247 0.000 1.038 188 T CA 1.324 63.315 62.100 -0.180 0.000 1.145 188 T CB -0.160 68.474 68.868 -0.389 0.000 0.858 188 T HN 0.350 nan 8.240 nan 0.000 0.459 189 Y N 0.566 120.773 120.300 -0.154 0.000 2.495 189 Y HA 0.571 5.126 4.550 0.009 0.000 0.362 189 Y C 1.348 177.186 175.900 -0.104 0.000 0.956 189 Y CA -1.350 56.669 58.100 -0.134 0.000 1.127 189 Y CB 0.471 38.818 38.460 -0.188 0.000 1.173 189 Y HN 0.118 nan 8.280 nan 0.000 0.639 190 G N -0.294 108.519 108.800 0.022 0.000 2.777 190 G HA2 -0.146 3.819 3.960 0.009 0.000 0.211 190 G HA3 -0.146 3.819 3.960 0.009 0.000 0.211 190 G C 1.170 176.082 174.900 0.021 0.000 1.149 190 G CA 0.692 45.804 45.100 0.019 0.000 0.785 190 G HN 0.501 nan 8.290 nan 0.000 0.536 191 D N 0.439 120.850 120.400 0.017 0.000 2.249 191 D HA 0.025 4.670 4.640 0.009 0.000 0.205 191 D C 1.232 177.558 176.300 0.044 0.000 0.962 191 D CA 0.174 54.189 54.000 0.025 0.000 0.860 191 D CB 0.059 40.870 40.800 0.018 0.000 0.955 191 D HN 0.543 nan 8.370 nan 0.000 0.505 192 R N -0.951 119.586 120.500 0.061 0.000 2.764 192 R HA 0.620 4.965 4.340 0.009 0.000 0.270 192 R C -3.125 173.193 176.300 0.030 0.000 1.014 192 R CA -1.699 54.439 56.100 0.064 0.000 0.904 192 R CB 1.179 31.541 30.300 0.103 0.000 1.236 192 R HN -0.179 nan 8.270 nan 0.000 0.466 193 P HA 0.231 nan 4.420 nan 0.000 0.281 193 P C -0.917 176.385 177.300 0.003 0.000 1.264 193 P CA -0.444 62.650 63.100 -0.010 0.000 0.824 193 P CB 0.863 32.582 31.700 0.031 0.000 1.092 194 H N 0.434 119.529 119.070 0.043 0.000 2.547 194 H HA 0.205 4.767 4.556 0.009 0.000 0.362 194 H C 0.695 176.024 175.328 0.002 0.000 1.181 194 H CA 0.032 56.091 56.048 0.018 0.000 1.376 194 H CB 0.757 30.503 29.762 -0.026 0.000 1.488 194 H HN 0.375 nan 8.280 nan 0.000 0.583 195 R N 2.686 123.259 120.500 0.122 0.000 2.491 195 R HA 0.132 4.477 4.340 0.009 0.000 0.283 195 R C -2.413 173.884 176.300 -0.005 0.000 1.072 195 R CA -1.331 54.778 56.100 0.014 0.000 1.048 195 R CB 0.007 30.265 30.300 -0.071 0.000 0.983 195 R HN 0.327 nan 8.270 nan 0.000 0.450 196 P HA -0.151 nan 4.420 nan 0.000 0.264 196 P C -0.598 176.691 177.300 -0.017 0.000 1.173 196 P CA 0.540 63.651 63.100 0.018 0.000 0.761 196 P CB 0.244 31.950 31.700 0.009 0.000 0.794 197 Y N 4.352 124.605 120.300 -0.079 0.000 2.184 197 Y HA -0.185 4.370 4.550 0.009 0.000 0.290 197 Y C 2.254 178.087 175.900 -0.112 0.000 1.129 197 Y CA 1.385 59.418 58.100 -0.112 0.000 1.144 197 Y CB -0.004 38.440 38.460 -0.027 0.000 0.995 197 Y HN 0.209 nan 8.280 nan 0.000 0.513 198 R N 0.430 120.912 120.500 -0.030 0.000 2.096 198 R HA -0.237 4.109 4.340 0.009 0.000 0.240 198 R C 2.326 178.521 176.300 -0.175 0.000 1.139 198 R CA 2.071 58.120 56.100 -0.086 0.000 0.952 198 R CB -0.621 29.697 30.300 0.030 0.000 0.854 198 R HN 0.649 nan 8.270 nan 0.000 0.436 199 E N 0.102 120.219 120.200 -0.139 0.000 2.150 199 E HA -0.128 4.228 4.350 0.009 0.000 0.193 199 E C 1.331 177.807 176.600 -0.207 0.000 0.985 199 E CA 1.558 57.877 56.400 -0.135 0.000 0.814 199 E CB -0.135 29.513 29.700 -0.086 0.000 0.752 199 E HN 0.127 nan 8.360 nan 0.000 0.466 200 T N 0.832 115.186 114.554 -0.333 0.000 2.812 200 T HA -0.064 4.291 4.350 0.009 0.000 0.264 200 T C 1.998 176.398 174.700 -0.499 0.000 1.042 200 T CA 1.220 63.044 62.100 -0.460 0.000 1.140 200 T CB -0.110 68.338 68.868 -0.700 0.000 0.870 200 T HN 0.050 nan 8.240 nan 0.000 0.445 201 V N 1.705 121.266 119.914 -0.588 0.000 2.343 201 V HA -0.195 3.930 4.120 0.009 0.000 0.247 201 V C 2.636 178.621 176.094 -0.182 0.000 1.051 201 V CA 1.624 63.696 62.300 -0.379 0.000 1.036 201 V CB -0.575 30.992 31.823 -0.427 0.000 0.654 201 V HN 0.394 nan 8.190 nan 0.000 0.451 202 R N -0.134 120.254 120.500 -0.187 0.000 2.070 202 R HA -0.213 4.133 4.340 0.009 0.000 0.233 202 R C 2.429 178.678 176.300 -0.085 0.000 1.137 202 R CA 1.853 57.876 56.100 -0.128 0.000 0.945 202 R CB -0.446 29.797 30.300 -0.096 0.000 0.845 202 R HN 0.635 nan 8.270 nan 0.000 0.430 203 E N 0.485 120.641 120.200 -0.074 0.000 2.118 203 E HA -0.235 4.121 4.350 0.009 0.000 0.195 203 E C 1.766 178.384 176.600 0.031 0.000 0.992 203 E CA 1.142 57.526 56.400 -0.027 0.000 0.804 203 E CB -0.174 29.513 29.700 -0.022 0.000 0.741 203 E HN 0.347 nan 8.360 nan 0.000 0.458 204 F N 1.012 120.874 119.950 -0.148 0.000 2.095 204 F HA -0.254 4.279 4.527 0.009 0.000 0.298 204 F C 1.996 177.732 175.800 -0.107 0.000 1.104 204 F CA 1.069 59.014 58.000 -0.092 0.000 1.232 204 F CB 0.027 39.024 39.000 -0.005 0.000 0.987 204 F HN 0.032 nan 8.300 nan 0.000 0.475 205 L N 0.150 121.270 121.223 -0.171 0.000 2.046 205 L HA -0.230 4.115 4.340 0.009 0.000 0.208 205 L C 2.272 179.008 176.870 -0.224 0.000 1.077 205 L CA 1.626 56.286 54.840 -0.300 0.000 0.747 205 L CB -0.916 40.996 42.059 -0.246 0.000 0.896 205 L HN 0.222 nan 8.230 nan 0.000 0.432 206 E N 0.591 120.707 120.200 -0.141 0.000 2.058 206 E HA -0.232 4.123 4.350 0.009 0.000 0.194 206 E C 2.262 178.786 176.600 -0.127 0.000 0.997 206 E CA 1.373 57.709 56.400 -0.108 0.000 0.801 206 E CB -0.206 29.457 29.700 -0.062 0.000 0.746 206 E HN 0.470 nan 8.360 nan 0.000 0.450 207 I N 1.045 121.526 120.570 -0.148 0.000 2.264 207 I HA -0.293 3.882 4.170 0.009 0.000 0.248 207 I C 2.351 178.351 176.117 -0.196 0.000 1.111 207 I CA 1.024 62.202 61.300 -0.204 0.000 1.382 207 I CB -0.226 37.597 38.000 -0.294 0.000 1.060 207 I HN 0.119 nan 8.210 nan 0.000 0.418 208 L N 0.142 121.208 121.223 -0.262 0.000 2.056 208 L HA -0.175 4.170 4.340 0.009 0.000 0.207 208 L C 2.620 179.376 176.870 -0.190 0.000 1.078 208 L CA 1.372 56.047 54.840 -0.274 0.000 0.749 208 L CB -0.528 41.265 42.059 -0.445 0.000 0.901 208 L HN 0.270 nan 8.230 nan 0.000 0.433 209 E N 0.188 120.283 120.200 -0.174 0.000 2.047 209 E HA -0.267 4.088 4.350 0.009 0.000 0.191 209 E C 2.075 178.619 176.600 -0.092 0.000 0.987 209 E CA 1.042 57.365 56.400 -0.128 0.000 0.799 209 E CB -0.104 29.526 29.700 -0.118 0.000 0.752 209 E HN 0.354 nan 8.360 nan 0.000 0.449 210 K N 0.760 121.110 120.400 -0.083 0.000 2.032 210 K HA -0.153 4.173 4.320 0.009 0.000 0.209 210 K C 2.163 178.736 176.600 -0.046 0.000 1.048 210 K CA 1.887 58.142 56.287 -0.053 0.000 0.927 210 K CB -0.032 32.444 32.500 -0.039 0.000 0.712 210 K HN 0.013 nan 8.250 nan 0.000 0.441 211 T N 1.631 116.149 114.554 -0.059 0.000 2.770 211 T HA -0.051 4.305 4.350 0.009 0.000 0.263 211 T C 1.804 176.477 174.700 -0.044 0.000 1.039 211 T CA 1.225 63.299 62.100 -0.043 0.000 1.142 211 T CB -0.078 68.759 68.868 -0.051 0.000 0.868 211 T HN 0.157 nan 8.240 nan 0.000 0.435 212 L N 0.783 121.967 121.223 -0.066 0.000 2.156 212 L HA 0.001 4.346 4.340 0.009 0.000 0.208 212 L C 2.800 179.639 176.870 -0.051 0.000 1.095 212 L CA 0.727 55.530 54.840 -0.062 0.000 0.770 212 L CB -0.588 41.419 42.059 -0.087 0.000 0.914 212 L HN 0.212 nan 8.230 nan 0.000 0.439 213 S N 0.109 115.777 115.700 -0.053 0.000 2.399 213 S HA -0.201 4.274 4.470 0.009 0.000 0.231 213 S C 1.774 176.357 174.600 -0.029 0.000 1.022 213 S CA 1.343 59.518 58.200 -0.043 0.000 0.983 213 S CB -0.186 62.988 63.200 -0.044 0.000 0.803 213 S HN 0.595 nan 8.310 nan 0.000 0.480 214 Q N 0.384 120.170 119.800 -0.024 0.000 2.403 214 Q HA 0.328 4.673 4.340 0.009 0.000 0.203 214 Q C 0.930 176.925 176.000 -0.009 0.000 0.932 214 Q CA 0.540 56.334 55.803 -0.014 0.000 0.945 214 Q CB -0.111 28.622 28.738 -0.008 0.000 1.045 214 Q HN 0.381 nan 8.270 nan 0.000 0.511 215 G N -0.011 108.781 108.800 -0.014 0.000 2.149 215 G HA2 -0.220 3.746 3.960 0.009 0.000 0.235 215 G HA3 -0.220 3.746 3.960 0.009 0.000 0.235 215 G C 0.205 175.105 174.900 -0.001 0.000 1.018 215 G CA -0.182 44.913 45.100 -0.008 0.000 0.728 215 G HN 0.719 nan 8.290 nan 0.000 0.508 216 G N -0.850 107.947 108.800 -0.005 0.000 2.521 216 G HA2 0.658 4.624 3.960 0.009 0.000 0.323 216 G HA3 0.658 4.624 3.960 0.009 0.000 0.323 216 G C -0.206 174.694 174.900 0.001 0.000 1.211 216 G CA -0.852 44.250 45.100 0.003 0.000 0.979 216 G HN 0.364 nan 8.290 nan 0.000 0.490 217 K N -0.316 120.091 120.400 0.010 0.000 2.159 217 K HA 0.486 4.811 4.320 0.009 0.000 0.266 217 K C -0.992 175.609 176.600 0.001 0.000 0.975 217 K CA -0.604 55.687 56.287 0.007 0.000 0.865 217 K CB 2.522 35.032 32.500 0.017 0.000 1.087 217 K HN 0.137 nan 8.250 nan 0.000 0.446 218 V N 4.786 124.695 119.914 -0.009 0.000 2.311 218 V HA 0.153 4.278 4.120 0.009 0.000 0.275 218 V C -0.759 175.331 176.094 -0.008 0.000 1.022 218 V CA -0.868 61.430 62.300 -0.003 0.000 0.830 218 V CB 0.693 32.513 31.823 -0.004 0.000 1.012 218 V HN 0.498 nan 8.190 nan 0.000 0.452 219 L N 6.847 128.058 121.223 -0.021 0.000 2.265 219 L HA 0.520 4.865 4.340 0.009 0.000 0.288 219 L C -0.033 176.792 176.870 -0.076 0.000 1.058 219 L CA -0.095 54.713 54.840 -0.053 0.000 0.809 219 L CB 0.879 42.913 42.059 -0.043 0.000 1.179 219 L HN 0.463 nan 8.230 nan 0.000 0.429 220 I N 6.295 126.827 120.570 -0.065 0.000 2.464 220 I HA 0.254 4.429 4.170 0.009 0.000 0.277 220 I C -2.126 173.932 176.117 -0.099 0.000 1.040 220 I CA -1.683 59.567 61.300 -0.083 0.000 1.153 220 I CB 1.733 39.723 38.000 -0.015 0.000 1.274 220 I HN 0.378 nan 8.210 nan 0.000 0.469 221 P HA 0.116 nan 4.420 nan 0.000 0.271 221 P C -0.402 176.816 177.300 -0.137 0.000 1.220 221 P CA 0.316 63.346 63.100 -0.117 0.000 0.768 221 P CB 1.024 32.648 31.700 -0.127 0.000 0.848 222 T N 0.134 114.604 114.554 -0.141 0.000 2.868 222 T HA 0.571 4.927 4.350 0.009 0.000 0.306 222 T C -0.341 174.257 174.700 -0.171 0.000 1.224 222 T CA -0.737 61.248 62.100 -0.192 0.000 1.012 222 T CB 0.600 69.425 68.868 -0.071 0.000 1.221 222 T HN 0.072 nan 8.240 nan 0.000 0.499 223 F N 0.561 120.555 119.950 0.073 0.000 2.380 223 F HA 0.554 5.087 4.527 0.010 0.000 0.325 223 F C 1.821 177.656 175.800 0.057 0.000 1.136 223 F CA -0.609 57.437 58.000 0.077 0.000 1.171 223 F CB 0.851 39.905 39.000 0.090 0.000 1.230 223 F HN 0.856 nan 8.300 nan 0.000 0.554 224 A N 1.345 124.330 122.820 0.276 0.000 2.081 224 A HA 0.082 4.407 4.320 0.009 0.000 0.214 224 A C 1.763 179.412 177.584 0.108 0.000 1.158 224 A CA 0.589 52.712 52.037 0.143 0.000 0.724 224 A CB -0.523 18.544 19.000 0.112 0.000 0.826 224 A HN 0.582 nan 8.150 nan 0.000 0.463 225 V N -0.735 119.277 119.914 0.163 0.000 2.407 225 V HA -0.056 4.070 4.120 0.009 0.000 0.245 225 V C 2.222 178.369 176.094 0.089 0.000 1.041 225 V CA 2.068 64.434 62.300 0.110 0.000 1.040 225 V CB 0.008 31.911 31.823 0.133 0.000 0.671 225 V HN 0.671 nan 8.190 nan 0.000 0.455 226 E N -1.058 119.218 120.200 0.127 0.000 2.614 226 E HA 0.027 4.382 4.350 0.009 0.000 0.201 226 E C 2.104 178.761 176.600 0.095 0.000 0.889 226 E CA -0.078 56.382 56.400 0.101 0.000 1.564 226 E CB 0.371 30.086 29.700 0.026 0.000 1.623 226 E HN 0.224 nan 8.360 nan 0.000 0.898 227 R N 1.730 122.313 120.500 0.139 0.000 2.073 227 R HA 0.053 4.399 4.340 0.009 0.000 0.234 227 R C 2.083 178.400 176.300 0.029 0.000 1.134 227 R CA 2.112 58.272 56.100 0.100 0.000 0.952 227 R CB -0.939 29.471 30.300 0.182 0.000 0.850 227 R HN 0.162 nan 8.270 nan 0.000 0.433 228 A N 1.119 123.962 122.820 0.039 0.000 1.849 228 A HA -0.259 4.066 4.320 0.009 0.000 0.217 228 A C 1.918 179.502 177.584 0.000 0.000 1.202 228 A CA 2.100 54.140 52.037 0.004 0.000 0.629 228 A CB -0.792 18.210 19.000 0.004 0.000 0.834 228 A HN 0.545 nan 8.150 nan 0.000 0.447 229 Q N -0.156 119.613 119.800 -0.051 0.000 2.226 229 Q HA -0.212 4.133 4.340 0.009 0.000 0.204 229 Q C 1.698 177.805 176.000 0.179 0.000 0.975 229 Q CA 1.667 57.435 55.803 -0.058 0.000 0.866 229 Q CB -0.656 27.793 28.738 -0.482 0.000 0.915 229 Q HN 0.900 nan 8.270 nan 0.000 0.440 230 E N 0.471 120.758 120.200 0.145 0.000 2.107 230 E HA -0.119 4.237 4.350 0.009 0.000 0.191 230 E C 1.794 178.500 176.600 0.177 0.000 0.982 230 E CA 0.433 56.965 56.400 0.219 0.000 0.809 230 E CB 0.193 29.959 29.700 0.110 0.000 0.756 230 E HN 0.200 nan 8.360 nan 0.000 0.459 231 I N 1.324 121.905 120.570 0.019 0.000 2.315 231 I HA -0.236 3.939 4.170 0.009 0.000 0.248 231 I C 2.348 178.576 176.117 0.186 0.000 1.117 231 I CA 0.988 62.274 61.300 -0.022 0.000 1.404 231 I CB -0.975 36.970 38.000 -0.093 0.000 1.071 231 I HN 0.278 nan 8.210 nan 0.000 0.419 232 L N -0.728 120.617 121.223 0.204 0.000 2.046 232 L HA -0.270 4.076 4.340 0.009 0.000 0.208 232 L C 2.704 179.753 176.870 0.298 0.000 1.077 232 L CA 1.435 56.412 54.840 0.230 0.000 0.747 232 L CB -0.899 41.288 42.059 0.213 0.000 0.896 232 L HN 0.173 nan 8.230 nan 0.000 0.432 233 Y N 0.343 120.790 120.300 0.246 0.000 2.207 233 Y HA -0.225 4.331 4.550 0.009 0.000 0.287 233 Y C 2.349 178.382 175.900 0.221 0.000 1.156 233 Y CA 1.500 59.675 58.100 0.125 0.000 1.182 233 Y CB -0.189 38.347 38.460 0.127 0.000 0.979 233 Y HN -0.155 nan 8.280 nan 0.000 0.521 234 V N 0.258 120.385 119.914 0.355 0.000 2.548 234 V HA -0.271 3.855 4.120 0.009 0.000 0.249 234 V C 2.282 178.563 176.094 0.313 0.000 1.055 234 V CA 1.667 64.203 62.300 0.393 0.000 1.065 234 V CB -0.516 31.611 31.823 0.508 0.000 0.681 234 V HN 0.436 nan 8.190 nan 0.000 0.462 235 L N -1.457 119.904 121.223 0.230 0.000 2.313 235 L HA -0.118 4.227 4.340 0.009 0.000 0.214 235 L C 2.329 179.235 176.870 0.061 0.000 1.119 235 L CA 1.461 56.369 54.840 0.114 0.000 0.809 235 L CB -0.478 41.636 42.059 0.091 0.000 0.933 235 L HN 0.435 nan 8.230 nan 0.000 0.449 236 Y N 1.079 121.327 120.300 -0.086 0.000 2.243 236 Y HA -0.187 4.368 4.550 0.009 0.000 0.293 236 Y C 2.671 178.411 175.900 -0.266 0.000 1.124 236 Y CA 1.658 59.645 58.100 -0.188 0.000 1.159 236 Y CB 0.048 38.353 38.460 -0.258 0.000 1.008 236 Y HN 0.161 nan 8.280 nan 0.000 0.527 237 T N -3.133 111.359 114.554 -0.103 0.000 3.148 237 T HA 0.029 4.385 4.350 0.009 0.000 0.253 237 T C 0.793 175.187 174.700 -0.511 0.000 1.134 237 T CA 0.886 62.795 62.100 -0.319 0.000 1.051 237 T CB -0.255 68.367 68.868 -0.409 0.000 0.959 237 T HN 0.511 nan 8.240 nan 0.000 0.525 238 H N -0.794 118.223 119.070 -0.087 0.000 3.535 238 H HA 0.344 4.905 4.556 0.009 0.000 0.260 238 H C 2.225 177.370 175.328 -0.306 0.000 1.173 238 H CA 0.179 56.133 56.048 -0.156 0.000 1.168 238 H CB 0.301 29.987 29.762 -0.127 0.000 1.568 238 H HN 0.470 nan 8.280 nan 0.000 0.602 239 G N 1.424 110.136 108.800 -0.147 0.000 2.527 239 G HA2 -0.302 3.664 3.960 0.009 0.000 0.219 239 G HA3 -0.302 3.664 3.960 0.009 0.000 0.219 239 G C 1.437 176.219 174.900 -0.197 0.000 1.117 239 G CA 1.308 46.300 45.100 -0.180 0.000 0.759 239 G HN 0.582 nan 8.290 nan 0.000 0.556 240 H N 0.561 119.534 119.070 -0.162 0.000 2.457 240 H HA 0.019 4.580 4.556 0.009 0.000 0.294 240 H C 2.193 177.461 175.328 -0.099 0.000 1.064 240 H CA 1.251 57.212 56.048 -0.144 0.000 1.330 240 H CB -0.170 29.497 29.762 -0.158 0.000 1.395 240 H HN 0.487 nan 8.280 nan 0.000 0.541 241 R N 0.580 120.637 120.500 -0.739 0.000 2.432 241 R HA 0.337 4.682 4.340 0.009 0.000 0.260 241 R C -0.497 175.646 176.300 -0.261 0.000 0.935 241 R CA -0.200 55.641 56.100 -0.432 0.000 1.080 241 R CB 0.280 30.269 30.300 -0.519 0.000 1.155 241 R HN 0.203 nan 8.270 nan 0.000 0.531 242 L N 2.790 123.869 121.223 -0.241 0.000 2.322 242 L HA 0.521 4.866 4.340 0.009 0.000 0.279 242 L C -1.943 174.841 176.870 -0.143 0.000 1.036 242 L CA -2.711 52.016 54.840 -0.189 0.000 0.807 242 L CB 1.515 43.452 42.059 -0.203 0.000 1.226 242 L HN -0.027 nan 8.230 nan 0.000 0.433 243 P HA 0.050 nan 4.420 nan 0.000 0.267 243 P C -0.755 176.485 177.300 -0.099 0.000 1.200 243 P CA -0.222 62.819 63.100 -0.098 0.000 0.772 243 P CB 0.534 32.182 31.700 -0.087 0.000 0.855 244 R N 1.238 121.687 120.500 -0.085 0.000 2.522 244 R HA 0.474 4.819 4.340 0.009 0.000 0.284 244 R C 0.091 176.339 176.300 -0.086 0.000 1.032 244 R CA 0.381 56.430 56.100 -0.085 0.000 1.049 244 R CB 0.110 30.367 30.300 -0.070 0.000 0.956 244 R HN 0.661 nan 8.270 nan 0.000 0.422 245 A N 4.636 127.393 122.820 -0.104 0.000 2.594 245 A HA 0.414 4.739 4.320 0.009 0.000 0.296 245 A C -2.682 174.802 177.584 -0.167 0.000 1.056 245 A CA -1.388 50.581 52.037 -0.113 0.000 0.693 245 A CB 1.348 20.288 19.000 -0.100 0.000 1.278 245 A HN 0.529 nan 8.150 nan 0.000 0.408 246 P HA 0.440 nan 4.420 nan 0.000 0.271 246 P C -0.808 176.214 177.300 -0.463 0.000 1.218 246 P CA 0.153 62.998 63.100 -0.426 0.000 0.780 246 P CB 0.667 31.959 31.700 -0.679 0.000 0.901 247 I N 3.382 123.711 120.570 -0.402 0.000 2.371 247 I HA 0.209 4.384 4.170 0.009 0.000 0.282 247 I C -0.247 175.727 176.117 -0.239 0.000 1.031 247 I CA -0.808 60.347 61.300 -0.242 0.000 1.180 247 I CB 0.359 38.292 38.000 -0.112 0.000 1.336 247 I HN 0.284 nan 8.210 nan 0.000 0.467 248 Y N 6.226 126.509 120.300 -0.029 0.000 2.477 248 Y HA 0.235 4.790 4.550 0.009 0.000 0.349 248 Y C 0.205 176.092 175.900 -0.022 0.000 0.977 248 Y CA -0.784 57.301 58.100 -0.025 0.000 1.214 248 Y CB 0.936 39.373 38.460 -0.039 0.000 1.124 248 Y HN 0.438 nan 8.280 nan 0.000 0.521 249 L N 4.809 126.110 121.223 0.131 0.000 2.356 249 L HA 0.201 4.546 4.340 0.009 0.000 0.282 249 L C 0.122 177.045 176.870 0.089 0.000 1.132 249 L CA -0.021 54.867 54.840 0.080 0.000 0.923 249 L CB -0.141 41.946 42.059 0.046 0.000 1.278 249 L HN 0.506 nan 8.230 nan 0.000 0.436 250 D N 2.295 122.754 120.400 0.100 0.000 3.032 250 D HA 0.098 4.743 4.640 0.009 0.000 0.241 250 D C -0.509 175.839 176.300 0.080 0.000 1.196 250 D CA 0.351 54.414 54.000 0.106 0.000 0.927 250 D CB -0.034 40.886 40.800 0.200 0.000 1.129 250 D HN 0.387 nan 8.370 nan 0.000 0.458 251 S N 0.633 116.362 115.700 0.048 0.000 2.737 251 S HA 0.393 4.869 4.470 0.009 0.000 0.269 251 S C -2.182 172.423 174.600 0.007 0.000 1.150 251 S CA -1.204 57.017 58.200 0.034 0.000 1.077 251 S CB 1.608 64.835 63.200 0.046 0.000 1.075 251 S HN -0.116 nan 8.310 nan 0.000 0.476 252 P HA -0.115 nan 4.420 nan 0.000 0.215 252 P C 1.652 178.944 177.300 -0.013 0.000 1.153 252 P CA 1.016 64.094 63.100 -0.035 0.000 0.853 252 P CB 0.036 31.699 31.700 -0.061 0.000 0.788 253 M N -0.381 119.222 119.600 0.006 0.000 2.117 253 M HA -0.128 4.357 4.480 0.009 0.000 0.262 253 M C 1.911 178.214 176.300 0.005 0.000 1.065 253 M CA 2.214 57.525 55.300 0.017 0.000 1.114 253 M CB -0.758 31.867 32.600 0.042 0.000 1.361 253 M HN -0.149 nan 8.290 nan 0.000 0.408 254 A N -0.042 122.782 122.820 0.006 0.000 2.019 254 A HA 0.045 4.370 4.320 0.009 0.000 0.219 254 A C 2.258 179.808 177.584 -0.056 0.000 1.164 254 A CA 1.613 53.636 52.037 -0.022 0.000 0.644 254 A CB -1.702 17.296 19.000 -0.004 0.000 0.805 254 A HN 0.672 nan 8.150 nan 0.000 0.449 255 G N -0.260 108.521 108.800 -0.032 0.000 2.484 255 G HA2 -0.234 3.731 3.960 0.009 0.000 0.215 255 G HA3 -0.234 3.731 3.960 0.009 0.000 0.215 255 G C 1.702 176.579 174.900 -0.038 0.000 1.219 255 G CA 0.851 45.931 45.100 -0.033 0.000 0.791 255 G HN 0.547 nan 8.290 nan 0.000 0.550 256 R N -0.181 120.306 120.500 -0.021 0.000 2.119 256 R HA -0.124 4.222 4.340 0.009 0.000 0.246 256 R C 2.654 178.942 176.300 -0.021 0.000 1.146 256 R CA 1.511 57.605 56.100 -0.010 0.000 0.962 256 R CB -0.680 29.621 30.300 0.002 0.000 0.863 256 R HN 0.339 nan 8.270 nan 0.000 0.442 257 V N 1.199 121.082 119.914 -0.051 0.000 2.270 257 V HA -0.235 3.890 4.120 0.009 0.000 0.245 257 V C 2.226 178.198 176.094 -0.204 0.000 1.043 257 V CA 1.643 63.894 62.300 -0.082 0.000 1.014 257 V CB -0.628 31.126 31.823 -0.115 0.000 0.645 257 V HN 0.235 nan 8.190 nan 0.000 0.447 258 L N 0.640 121.677 121.223 -0.309 0.000 2.043 258 L HA -0.191 4.154 4.340 0.009 0.000 0.212 258 L C 2.508 179.320 176.870 -0.096 0.000 1.075 258 L CA 2.290 56.909 54.840 -0.369 0.000 0.752 258 L CB -0.874 41.050 42.059 -0.225 0.000 0.891 258 L HN 0.312 nan 8.230 nan 0.000 0.432 259 S N -0.626 115.061 115.700 -0.022 0.000 2.402 259 S HA -0.188 4.287 4.470 0.009 0.000 0.233 259 S C 1.766 176.421 174.600 0.092 0.000 1.030 259 S CA 1.605 59.832 58.200 0.045 0.000 1.003 259 S CB -0.529 62.691 63.200 0.034 0.000 0.813 259 S HN 0.484 nan 8.310 nan 0.000 0.477 260 L N 0.271 121.556 121.223 0.103 0.000 2.341 260 L HA 0.182 4.527 4.340 0.009 0.000 0.214 260 L C 1.630 178.663 176.870 0.272 0.000 1.115 260 L CA 1.185 56.117 54.840 0.152 0.000 0.820 260 L CB -0.608 41.525 42.059 0.124 0.000 0.944 260 L HN 0.329 nan 8.230 nan 0.000 0.452 261 Y N 0.379 120.719 120.300 0.067 0.000 2.241 261 Y HA -0.213 4.343 4.550 0.009 0.000 0.286 261 Y C -0.325 175.676 175.900 0.167 0.000 1.166 261 Y CA 0.938 59.132 58.100 0.156 0.000 1.203 261 Y CB -1.202 37.281 38.460 0.038 0.000 0.977 261 Y HN 0.332 nan 8.280 nan 0.000 0.529 262 P HA -0.102 nan 4.420 nan 0.000 0.223 262 P C 0.842 178.120 177.300 -0.037 0.000 1.151 262 P CA 1.409 64.543 63.100 0.057 0.000 0.787 262 P CB 0.012 31.833 31.700 0.203 0.000 0.788 263 R N -1.110 119.420 120.500 0.049 0.000 2.307 263 R HA 0.084 4.430 4.340 0.009 0.000 0.199 263 R C 0.441 176.759 176.300 0.031 0.000 1.000 263 R CA 0.532 56.650 56.100 0.030 0.000 1.023 263 R CB -0.194 30.135 30.300 0.049 0.000 0.908 263 R HN 0.154 nan 8.270 nan 0.000 0.473 264 L N -0.573 120.677 121.223 0.044 0.000 2.959 264 L HA 0.075 4.421 4.340 0.009 0.000 0.259 264 L C 1.476 178.376 176.870 0.049 0.000 1.185 264 L CA 0.320 55.209 54.840 0.081 0.000 0.998 264 L CB 0.280 42.307 42.059 -0.054 0.000 1.337 264 L HN -0.105 nan 8.230 nan 0.000 0.555 265 V N 1.793 121.663 119.914 -0.073 0.000 2.313 265 V HA -0.348 3.777 4.120 0.009 0.000 0.253 265 V C 2.752 178.875 176.094 0.048 0.000 1.070 265 V CA 2.661 64.901 62.300 -0.099 0.000 1.057 265 V CB -0.207 31.312 31.823 -0.506 0.000 0.653 265 V HN 0.750 nan 8.190 nan 0.000 0.450 266 R N -1.659 118.755 120.500 -0.143 0.000 2.237 266 R HA -0.150 4.195 4.340 0.009 0.000 0.219 266 R C 1.767 177.854 176.300 -0.355 0.000 1.080 266 R CA 1.915 57.866 56.100 -0.248 0.000 0.995 266 R CB -0.745 29.333 30.300 -0.371 0.000 0.875 266 R HN 0.578 nan 8.270 nan 0.000 0.462 267 Y N 0.285 120.415 120.300 -0.285 0.000 2.502 267 Y HA 0.223 4.779 4.550 0.009 0.000 0.295 267 Y C 0.020 175.531 175.900 -0.648 0.000 1.193 267 Y CA -0.138 57.680 58.100 -0.471 0.000 1.295 267 Y CB -0.061 38.026 38.460 -0.622 0.000 1.059 267 Y HN -0.089 nan 8.280 nan 0.000 0.514 268 F N -1.564 118.372 119.950 -0.023 0.000 2.572 268 F HA 0.431 4.964 4.527 0.009 0.000 0.342 268 F C 0.899 176.670 175.800 -0.049 0.000 1.064 268 F CA -1.720 56.263 58.000 -0.029 0.000 1.008 268 F CB 0.383 39.410 39.000 0.045 0.000 1.303 268 F HN -0.317 nan 8.300 nan 0.000 0.492 269 S N -0.024 115.783 115.700 0.178 0.000 2.587 269 S HA 0.044 4.519 4.470 0.009 0.000 0.260 269 S C 0.866 175.494 174.600 0.046 0.000 1.353 269 S CA -0.594 57.638 58.200 0.054 0.000 0.995 269 S CB 0.562 63.770 63.200 0.014 0.000 0.912 269 S HN 0.578 nan 8.310 nan 0.000 0.568 270 E N 0.970 121.174 120.200 0.007 0.000 2.077 270 E HA -0.192 4.163 4.350 0.009 0.000 0.193 270 E C 1.959 178.546 176.600 -0.022 0.000 0.989 270 E CA 1.492 57.891 56.400 -0.001 0.000 0.800 270 E CB -0.582 29.111 29.700 -0.012 0.000 0.746 270 E HN 0.918 nan 8.360 nan 0.000 0.452 271 E N 0.739 120.914 120.200 -0.043 0.000 2.033 271 E HA -0.185 4.171 4.350 0.009 0.000 0.199 271 E C 2.140 178.628 176.600 -0.188 0.000 1.011 271 E CA 1.767 58.099 56.400 -0.113 0.000 0.815 271 E CB 0.061 29.731 29.700 -0.050 0.000 0.755 271 E HN 0.019 nan 8.360 nan 0.000 0.451 272 V N 1.069 120.931 119.914 -0.086 0.000 2.407 272 V HA -0.267 3.858 4.120 0.009 0.000 0.248 272 V C 2.424 178.587 176.094 0.115 0.000 1.055 272 V CA 2.100 64.364 62.300 -0.059 0.000 1.049 272 V CB -0.535 31.220 31.823 -0.114 0.000 0.662 272 V HN 0.353 nan 8.190 nan 0.000 0.455 273 Q N -0.484 119.406 119.800 0.151 0.000 2.167 273 Q HA -0.104 4.242 4.340 0.009 0.000 0.202 273 Q C 2.424 178.517 176.000 0.154 0.000 0.970 273 Q CA 1.443 57.375 55.803 0.215 0.000 0.855 273 Q CB -0.313 28.502 28.738 0.128 0.000 0.911 273 Q HN 0.687 nan 8.270 nan 0.000 0.438 274 A N 0.546 123.389 122.820 0.038 0.000 1.902 274 A HA -0.216 4.110 4.320 0.009 0.000 0.217 274 A C 1.529 179.154 177.584 0.067 0.000 1.181 274 A CA 1.452 53.498 52.037 0.016 0.000 0.623 274 A CB -0.789 18.173 19.000 -0.062 0.000 0.818 274 A HN 0.424 nan 8.150 nan 0.000 0.443 275 H N -2.599 116.464 119.070 -0.011 0.000 2.353 275 H HA -0.116 4.445 4.556 0.009 0.000 0.300 275 H C 1.749 176.988 175.328 -0.149 0.000 1.090 275 H CA 1.429 57.403 56.048 -0.124 0.000 1.327 275 H CB -0.142 29.451 29.762 -0.282 0.000 1.383 275 H HN 0.545 nan 8.280 nan 0.000 0.508 276 F N -0.090 119.910 119.950 0.082 0.000 2.293 276 F HA -0.126 4.406 4.527 0.009 0.000 0.300 276 F C 2.194 178.022 175.800 0.048 0.000 1.086 276 F CA 0.467 58.495 58.000 0.047 0.000 1.375 276 F CB -0.149 38.882 39.000 0.051 0.000 1.045 276 F HN 0.115 nan 8.300 nan 0.000 0.516 277 L N -0.102 121.249 121.223 0.213 0.000 2.141 277 L HA -0.135 4.211 4.340 0.009 0.000 0.209 277 L C 2.140 179.068 176.870 0.097 0.000 1.094 277 L CA 1.675 56.595 54.840 0.133 0.000 0.763 277 L CB -0.700 41.416 42.059 0.095 0.000 0.908 277 L HN 0.059 nan 8.230 nan 0.000 0.437 278 Q N 0.051 119.903 119.800 0.087 0.000 2.541 278 Q HA 0.033 4.378 4.340 0.009 0.000 0.215 278 Q C 1.362 177.391 176.000 0.049 0.000 0.977 278 Q CA 0.844 56.683 55.803 0.060 0.000 0.934 278 Q CB -0.173 28.600 28.738 0.059 0.000 0.988 278 Q HN 0.719 nan 8.270 nan 0.000 0.521 279 G N 1.403 110.246 108.800 0.072 0.000 2.143 279 G HA2 -0.275 3.691 3.960 0.009 0.000 0.249 279 G HA3 -0.275 3.691 3.960 0.009 0.000 0.249 279 G C -0.225 174.699 174.900 0.041 0.000 0.981 279 G CA 0.416 45.559 45.100 0.072 0.000 0.665 279 G HN 0.349 nan 8.290 nan 0.000 0.528 280 K N -0.131 120.255 120.400 -0.023 0.000 2.259 280 K HA 0.570 4.895 4.320 0.009 0.000 0.249 280 K C -0.623 175.761 176.600 -0.360 0.000 0.942 280 K CA -1.160 55.064 56.287 -0.105 0.000 0.816 280 K CB 1.407 33.863 32.500 -0.073 0.000 1.155 280 K HN 0.020 nan 8.250 nan 0.000 0.428 281 N N 3.458 121.956 118.700 -0.337 0.000 2.500 281 N HA 0.127 4.873 4.740 0.009 0.000 0.236 281 N C -1.926 173.082 175.510 -0.837 0.000 1.022 281 N CA -2.176 50.545 53.050 -0.548 0.000 0.935 281 N CB 0.894 39.341 38.487 -0.066 0.000 1.147 281 N HN 0.403 nan 8.380 nan 0.000 0.512 282 P HA 0.016 nan 4.420 nan 0.000 0.247 282 P C 0.096 176.673 177.300 -1.205 0.000 1.225 282 P CA 0.417 62.345 63.100 -1.953 0.000 0.768 282 P CB -0.144 30.793 31.700 -1.271 0.000 1.020 283 F N -0.042 119.679 119.950 -0.382 0.000 2.653 283 F HA 0.272 4.804 4.527 0.009 0.000 0.304 283 F C 1.345 177.125 175.800 -0.033 0.000 1.092 283 F CA -0.138 57.815 58.000 -0.078 0.000 1.279 283 F CB 0.332 39.342 39.000 0.018 0.000 1.044 283 F HN -0.270 nan 8.300 nan 0.000 0.564 284 R N 2.055 122.601 120.500 0.077 0.000 2.443 284 R HA 0.274 4.620 4.340 0.009 0.000 0.287 284 R C -2.785 173.645 176.300 0.217 0.000 1.425 284 R CA -1.432 54.746 56.100 0.130 0.000 1.300 284 R CB 0.727 31.085 30.300 0.097 0.000 1.129 284 R HN -0.050 nan 8.270 nan 0.000 0.577 285 P HA 0.080 nan 4.420 nan 0.000 0.274 285 P C -0.229 177.088 177.300 0.028 0.000 1.237 285 P CA -0.301 62.887 63.100 0.146 0.000 0.793 285 P CB 0.867 32.621 31.700 0.091 0.000 0.977 286 A N 1.285 124.072 122.820 -0.054 0.000 2.546 286 A HA 0.391 4.717 4.320 0.009 0.000 0.243 286 A C 1.478 179.019 177.584 -0.071 0.000 1.063 286 A CA 0.872 52.869 52.037 -0.067 0.000 0.757 286 A CB -1.514 17.424 19.000 -0.102 0.000 0.991 286 A HN 0.922 nan 8.150 nan 0.000 0.503 287 G N 0.778 109.537 108.800 -0.069 0.000 2.194 287 G HA2 -0.101 3.865 3.960 0.009 0.000 0.236 287 G HA3 -0.101 3.865 3.960 0.009 0.000 0.236 287 G C 0.218 175.047 174.900 -0.119 0.000 0.987 287 G CA 0.188 45.225 45.100 -0.104 0.000 0.635 287 G HN 1.813 nan 8.290 nan 0.000 0.520 288 L N 1.076 122.261 121.223 -0.064 0.000 2.514 288 L HA 0.659 5.005 4.340 0.009 0.000 0.280 288 L C 0.058 176.905 176.870 -0.038 0.000 1.223 288 L CA 0.396 55.210 54.840 -0.043 0.000 0.864 288 L CB 0.973 43.039 42.059 0.011 0.000 1.118 288 L HN 0.339 nan 8.230 nan 0.000 0.494 289 E N 3.053 123.242 120.200 -0.018 0.000 2.313 289 E HA 0.406 4.761 4.350 0.009 0.000 0.280 289 E C -1.741 174.921 176.600 0.104 0.000 0.898 289 E CA -0.454 55.976 56.400 0.049 0.000 0.803 289 E CB 1.428 31.173 29.700 0.074 0.000 1.286 289 E HN 0.419 nan 8.360 nan 0.000 0.401 290 V N 4.563 124.523 119.914 0.075 0.000 2.461 290 V HA 0.363 4.488 4.120 0.009 0.000 0.275 290 V C -0.084 176.047 176.094 0.061 0.000 1.047 290 V CA -0.656 61.680 62.300 0.060 0.000 0.955 290 V CB 1.408 33.247 31.823 0.027 0.000 0.988 290 V HN 0.555 nan 8.190 nan 0.000 0.471 291 V N 5.354 125.301 119.914 0.055 0.000 2.439 291 V HA 0.357 4.482 4.120 0.009 0.000 0.282 291 V C 0.790 176.848 176.094 -0.060 0.000 1.039 291 V CA -0.404 61.907 62.300 0.018 0.000 0.913 291 V CB 1.520 33.354 31.823 0.017 0.000 0.983 291 V HN 0.906 nan 8.190 nan 0.000 0.460 292 E N 2.339 122.455 120.200 -0.140 0.000 2.079 292 E HA 0.107 4.462 4.350 0.009 0.000 0.191 292 E C 0.125 176.364 176.600 -0.601 0.000 0.961 292 E CA 0.917 57.070 56.400 -0.412 0.000 0.823 292 E CB 0.198 29.534 29.700 -0.607 0.000 0.789 292 E HN 0.852 nan 8.360 nan 0.000 0.459 293 H N -0.868 118.199 119.070 -0.005 0.000 2.651 293 H HA 0.298 4.859 4.556 0.009 0.000 0.353 293 H C 1.147 176.451 175.328 -0.039 0.000 1.178 293 H CA -0.172 55.865 56.048 -0.018 0.000 1.224 293 H CB 1.140 30.891 29.762 -0.018 0.000 1.702 293 H HN -0.217 nan 8.280 nan 0.000 0.550 294 T N 0.526 115.126 114.554 0.076 0.000 2.624 294 T HA -0.224 4.131 4.350 0.009 0.000 0.268 294 T C 1.420 176.094 174.700 -0.043 0.000 1.041 294 T CA 2.094 64.179 62.100 -0.025 0.000 1.159 294 T CB -0.242 68.600 68.868 -0.043 0.000 0.863 294 T HN 0.599 nan 8.240 nan 0.000 0.434 295 E N 1.595 121.789 120.200 -0.011 0.000 2.086 295 E HA -0.148 4.207 4.350 0.009 0.000 0.200 295 E C 2.378 178.955 176.600 -0.039 0.000 1.012 295 E CA 1.540 57.922 56.400 -0.030 0.000 0.812 295 E CB -0.664 29.026 29.700 -0.016 0.000 0.743 295 E HN 0.574 nan 8.360 nan 0.000 0.453 296 A N 0.074 122.884 122.820 -0.016 0.000 1.929 296 A HA -0.111 4.215 4.320 0.009 0.000 0.216 296 A C 2.292 179.826 177.584 -0.083 0.000 1.176 296 A CA 1.517 53.529 52.037 -0.042 0.000 0.628 296 A CB -0.628 18.365 19.000 -0.012 0.000 0.816 296 A HN 0.229 nan 8.150 nan 0.000 0.444 297 S N -0.461 115.199 115.700 -0.066 0.000 2.368 297 S HA -0.148 4.327 4.470 0.009 0.000 0.225 297 S C 2.028 176.571 174.600 -0.096 0.000 1.030 297 S CA 1.504 59.665 58.200 -0.065 0.000 0.999 297 S CB -0.238 62.923 63.200 -0.065 0.000 0.844 297 S HN 0.480 nan 8.310 nan 0.000 0.459 298 K N 1.250 121.567 120.400 -0.138 0.000 2.148 298 K HA 0.114 4.439 4.320 0.009 0.000 0.204 298 K C 2.268 178.787 176.600 -0.135 0.000 1.050 298 K CA 0.979 57.165 56.287 -0.168 0.000 0.942 298 K CB -0.743 31.653 32.500 -0.173 0.000 0.724 298 K HN 0.438 nan 8.250 nan 0.000 0.446 299 A N 1.785 124.539 122.820 -0.111 0.000 1.940 299 A HA -0.141 4.185 4.320 0.009 0.000 0.219 299 A C 2.233 179.754 177.584 -0.106 0.000 1.176 299 A CA 1.199 53.175 52.037 -0.102 0.000 0.631 299 A CB -0.687 18.258 19.000 -0.092 0.000 0.814 299 A HN 0.198 nan 8.150 nan 0.000 0.446 300 L N -0.046 121.106 121.223 -0.118 0.000 2.187 300 L HA -0.227 4.118 4.340 0.009 0.000 0.213 300 L C 2.043 178.903 176.870 -0.017 0.000 1.100 300 L CA 1.081 55.855 54.840 -0.110 0.000 0.765 300 L CB -0.745 41.234 42.059 -0.133 0.000 0.904 300 L HN 0.432 nan 8.230 nan 0.000 0.437 301 N N 0.640 119.326 118.700 -0.023 0.000 2.188 301 N HA -0.141 4.605 4.740 0.009 0.000 0.184 301 N C 1.798 177.265 175.510 -0.072 0.000 1.018 301 N CA 1.190 54.212 53.050 -0.047 0.000 0.858 301 N CB -0.177 38.129 38.487 -0.301 0.000 0.989 301 N HN 0.471 nan 8.380 nan 0.000 0.426 302 R N 0.411 120.854 120.500 -0.095 0.000 2.223 302 R HA 0.317 4.662 4.340 0.009 0.000 0.198 302 R C 0.752 177.037 176.300 -0.024 0.000 0.984 302 R CA 0.096 56.160 56.100 -0.060 0.000 1.018 302 R CB 0.161 30.417 30.300 -0.074 0.000 0.945 302 R HN 0.028 nan 8.270 nan 0.000 0.479 303 A N 3.614 126.419 122.820 -0.025 0.000 2.371 303 A HA 0.325 4.651 4.320 0.009 0.000 0.257 303 A C -2.051 175.543 177.584 0.017 0.000 1.089 303 A CA -1.315 50.719 52.037 -0.004 0.000 0.794 303 A CB 0.036 19.031 19.000 -0.008 0.000 1.029 303 A HN -0.013 nan 8.150 nan 0.000 0.488 304 P HA 0.353 nan 4.420 nan 0.000 0.278 304 P C 0.374 177.698 177.300 0.040 0.000 1.266 304 P CA -0.041 63.077 63.100 0.029 0.000 0.807 304 P CB 0.973 32.687 31.700 0.022 0.000 1.094 305 G N 0.646 109.465 108.800 0.033 0.000 2.588 305 G HA2 0.414 4.379 3.960 0.009 0.000 0.278 305 G HA3 0.414 4.379 3.960 0.009 0.000 0.278 305 G C -2.244 172.666 174.900 0.018 0.000 1.307 305 G CA -1.110 44.008 45.100 0.030 0.000 1.016 305 G HN 0.448 nan 8.290 nan 0.000 0.503 306 P HA 0.391 nan 4.420 nan 0.000 0.277 306 P C -0.516 176.781 177.300 -0.004 0.000 1.240 306 P CA 0.001 63.096 63.100 -0.008 0.000 0.798 306 P CB 1.382 33.064 31.700 -0.030 0.000 0.979 307 M N -0.161 119.434 119.600 -0.007 0.000 2.853 307 M HA 0.513 4.999 4.480 0.009 0.000 0.273 307 M C -2.119 174.171 176.300 -0.017 0.000 1.128 307 M CA -0.996 54.299 55.300 -0.007 0.000 0.814 307 M CB 1.520 34.193 32.600 0.121 0.000 1.667 307 M HN -0.071 nan 8.290 nan 0.000 0.519 308 V N 1.802 121.697 119.914 -0.033 0.000 2.531 308 V HA 0.746 4.871 4.120 0.009 0.000 0.301 308 V C -0.886 175.214 176.094 0.010 0.000 1.034 308 V CA -0.660 61.628 62.300 -0.021 0.000 0.865 308 V CB 1.828 33.629 31.823 -0.038 0.000 0.995 308 V HN 0.695 nan 8.190 nan 0.000 0.424 309 V N 6.183 126.091 119.914 -0.010 0.000 2.444 309 V HA 0.524 4.649 4.120 0.009 0.000 0.294 309 V C -0.698 175.370 176.094 -0.043 0.000 1.022 309 V CA -0.561 61.709 62.300 -0.049 0.000 0.850 309 V CB 1.690 33.357 31.823 -0.260 0.000 0.992 309 V HN 0.595 nan 8.190 nan 0.000 0.426 310 L N 4.580 125.803 121.223 0.001 0.000 2.296 310 L HA 0.934 5.280 4.340 0.009 0.000 0.286 310 L C 0.207 177.099 176.870 0.038 0.000 1.023 310 L CA 0.106 54.953 54.840 0.012 0.000 0.812 310 L CB 1.531 43.604 42.059 0.024 0.000 1.223 310 L HN 0.872 nan 8.230 nan 0.000 0.421 311 A N 1.757 124.604 122.820 0.046 0.000 2.612 311 A HA 0.880 5.205 4.320 0.009 0.000 0.293 311 A C -0.468 177.152 177.584 0.059 0.000 1.075 311 A CA -0.086 52.007 52.037 0.093 0.000 0.680 311 A CB 1.167 20.295 19.000 0.213 0.000 1.279 311 A HN 0.721 nan 8.150 nan 0.000 0.411 312 G N -0.195 108.649 108.800 0.073 0.000 2.552 312 G HA2 0.554 4.520 3.960 0.009 0.000 0.318 312 G HA3 0.554 4.520 3.960 0.009 0.000 0.318 312 G C -0.098 174.847 174.900 0.076 0.000 1.240 312 G CA -0.243 44.895 45.100 0.063 0.000 1.002 312 G HN 0.874 nan 8.290 nan 0.000 0.493 313 S N -1.239 114.510 115.700 0.082 0.000 2.592 313 S HA 0.371 4.846 4.470 0.009 0.000 0.271 313 S C 1.713 176.300 174.600 -0.022 0.000 1.326 313 S CA 0.196 58.457 58.200 0.102 0.000 1.024 313 S CB 1.413 64.710 63.200 0.162 0.000 0.921 313 S HN 0.873 nan 8.310 nan 0.000 0.527 314 G N 1.081 109.735 108.800 -0.243 0.000 2.527 314 G HA2 -0.141 3.825 3.960 0.009 0.000 0.219 314 G HA3 -0.141 3.825 3.960 0.009 0.000 0.219 314 G C 0.653 175.293 174.900 -0.433 0.000 1.117 314 G CA 0.653 45.251 45.100 -0.836 0.000 0.759 314 G HN 0.628 nan 8.290 nan 0.000 0.556 315 M N -0.173 119.389 119.600 -0.065 0.000 2.502 315 M HA 0.374 4.859 4.480 0.009 0.000 0.351 315 M C 0.452 176.815 176.300 0.105 0.000 1.118 315 M CA -0.151 55.200 55.300 0.086 0.000 0.952 315 M CB 0.649 33.370 32.600 0.203 0.000 1.424 315 M HN 0.047 nan 8.290 nan 0.000 0.529 316 L N -0.923 120.356 121.223 0.093 0.000 4.179 316 L HA -0.318 4.028 4.340 0.009 0.000 0.418 316 L C 1.473 178.389 176.870 0.077 0.000 1.168 316 L CA 0.324 55.218 54.840 0.089 0.000 0.972 316 L CB -2.172 39.958 42.059 0.118 0.000 2.005 316 L HN 0.498 nan 8.230 nan 0.000 0.935 317 A N -0.267 122.609 122.820 0.094 0.000 2.178 317 A HA 0.428 4.754 4.320 0.009 0.000 0.218 317 A C 1.396 179.023 177.584 0.072 0.000 1.157 317 A CA 1.769 53.859 52.037 0.089 0.000 0.689 317 A CB -0.136 18.936 19.000 0.119 0.000 0.787 317 A HN 1.212 nan 8.150 nan 0.000 0.465 318 G N -3.919 104.922 108.800 0.067 0.000 2.350 318 G HA2 0.565 4.530 3.960 0.009 0.000 0.282 318 G HA3 0.565 4.530 3.960 0.009 0.000 0.282 318 G C 0.164 175.104 174.900 0.067 0.000 1.314 318 G CA 0.158 45.290 45.100 0.053 0.000 0.915 318 G HN 2.235 nan 8.290 nan 0.000 0.499 319 G N -1.410 107.435 108.800 0.075 0.000 2.663 319 G HA2 0.250 4.215 3.960 0.009 0.000 0.686 319 G HA3 0.250 4.215 3.960 0.009 0.000 0.686 319 G C 0.513 175.479 174.900 0.110 0.000 1.288 319 G CA 0.545 45.700 45.100 0.091 0.000 0.836 319 G HN 1.331 nan 8.290 nan 0.000 0.584 320 R N -0.469 120.095 120.500 0.107 0.000 2.185 320 R HA -0.134 4.211 4.340 0.009 0.000 0.247 320 R C 2.657 178.981 176.300 0.040 0.000 1.159 320 R CA 2.182 58.333 56.100 0.085 0.000 0.988 320 R CB -0.334 29.989 30.300 0.038 0.000 0.871 320 R HN 0.654 nan 8.270 nan 0.000 0.458 321 I N 0.429 121.063 120.570 0.106 0.000 2.264 321 I HA -0.241 3.934 4.170 0.009 0.000 0.248 321 I C 1.506 177.665 176.117 0.070 0.000 1.111 321 I CA 1.467 62.856 61.300 0.148 0.000 1.382 321 I CB -0.075 37.989 38.000 0.106 0.000 1.060 321 I HN 0.186 nan 8.210 nan 0.000 0.418 322 L N -0.388 120.834 121.223 -0.002 0.000 2.127 322 L HA -0.260 4.086 4.340 0.009 0.000 0.211 322 L C 2.475 179.257 176.870 -0.147 0.000 1.089 322 L CA 1.172 55.958 54.840 -0.090 0.000 0.757 322 L CB -1.000 40.958 42.059 -0.168 0.000 0.899 322 L HN 0.387 nan 8.230 nan 0.000 0.434 323 H N -1.556 117.482 119.070 -0.054 0.000 2.462 323 H HA -0.066 4.495 4.556 0.009 0.000 0.292 323 H C 2.177 177.512 175.328 0.012 0.000 1.049 323 H CA 1.068 57.091 56.048 -0.041 0.000 1.334 323 H CB 0.106 29.779 29.762 -0.149 0.000 1.404 323 H HN 0.448 nan 8.280 nan 0.000 0.544 324 H N 0.068 119.245 119.070 0.179 0.000 2.343 324 H HA -0.057 4.505 4.556 0.009 0.000 0.303 324 H C 2.378 177.765 175.328 0.097 0.000 1.068 324 H CA 0.395 56.516 56.048 0.123 0.000 1.359 324 H CB -0.173 29.629 29.762 0.067 0.000 1.402 324 H HN 0.152 nan 8.280 nan 0.000 0.515 325 L N 1.493 122.819 121.223 0.172 0.000 2.012 325 L HA -0.167 4.178 4.340 0.009 0.000 0.210 325 L C 2.603 179.502 176.870 0.049 0.000 1.073 325 L CA 1.550 56.441 54.840 0.084 0.000 0.748 325 L CB -0.703 41.382 42.059 0.043 0.000 0.891 325 L HN 0.170 nan 8.230 nan 0.000 0.431 326 K N -1.191 119.216 120.400 0.012 0.000 2.020 326 K HA -0.224 4.101 4.320 0.009 0.000 0.212 326 K C 1.982 178.487 176.600 -0.158 0.000 1.050 326 K CA 1.772 57.997 56.287 -0.104 0.000 0.929 326 K CB -0.182 32.207 32.500 -0.185 0.000 0.714 326 K HN 0.479 nan 8.250 nan 0.000 0.443 327 H N -2.134 116.964 119.070 0.047 0.000 2.548 327 H HA 0.076 4.637 4.556 0.009 0.000 0.265 327 H C 1.639 176.998 175.328 0.052 0.000 0.969 327 H CA 0.980 57.058 56.048 0.050 0.000 1.155 327 H CB 0.834 30.632 29.762 0.059 0.000 1.394 327 H HN 0.466 nan 8.280 nan 0.000 0.570 328 G N 0.082 108.973 108.800 0.151 0.000 2.781 328 G HA2 -0.034 3.932 3.960 0.009 0.000 0.208 328 G HA3 -0.034 3.932 3.960 0.009 0.000 0.208 328 G C 1.428 176.367 174.900 0.066 0.000 1.099 328 G CA -0.173 44.991 45.100 0.106 0.000 0.776 328 G HN 0.096 nan 8.290 nan 0.000 0.532 329 L N 2.433 123.686 121.223 0.051 0.000 2.353 329 L HA 0.000 4.346 4.340 0.009 0.000 0.220 329 L C 2.904 179.792 176.870 0.031 0.000 1.133 329 L CA 1.828 56.691 54.840 0.037 0.000 0.798 329 L CB -0.242 41.834 42.059 0.028 0.000 0.922 329 L HN 0.369 nan 8.230 nan 0.000 0.445 330 S N -2.711 113.006 115.700 0.027 0.000 2.496 330 S HA -0.018 4.457 4.470 0.009 0.000 0.224 330 S C 0.908 175.525 174.600 0.029 0.000 0.996 330 S CA -0.147 58.066 58.200 0.022 0.000 0.927 330 S CB -0.227 62.981 63.200 0.014 0.000 0.774 330 S HN 0.383 nan 8.310 nan 0.000 0.524 331 D N 3.131 123.554 120.400 0.037 0.000 2.313 331 D HA 0.279 4.925 4.640 0.009 0.000 0.239 331 D C -1.563 174.758 176.300 0.035 0.000 1.142 331 D CA -2.395 51.627 54.000 0.036 0.000 0.847 331 D CB 1.808 42.633 40.800 0.042 0.000 1.082 331 D HN 0.049 nan 8.370 nan 0.000 0.480 332 P HA -0.099 nan 4.420 nan 0.000 0.228 332 P C 0.857 178.178 177.300 0.035 0.000 1.151 332 P CA 0.611 63.730 63.100 0.032 0.000 0.770 332 P CB 0.416 32.131 31.700 0.025 0.000 0.786 333 R N -1.106 119.413 120.500 0.031 0.000 2.236 333 R HA 0.062 4.408 4.340 0.009 0.000 0.208 333 R C 0.846 177.165 176.300 0.031 0.000 1.036 333 R CA 0.203 56.320 56.100 0.028 0.000 1.001 333 R CB -0.265 30.047 30.300 0.021 0.000 0.896 333 R HN 0.282 nan 8.270 nan 0.000 0.464 334 N N 0.581 119.304 118.700 0.038 0.000 2.408 334 N HA 0.353 5.098 4.740 0.009 0.000 0.260 334 N C -0.748 174.799 175.510 0.061 0.000 1.242 334 N CA -0.029 53.045 53.050 0.041 0.000 0.959 334 N CB 1.109 39.621 38.487 0.042 0.000 1.201 334 N HN 0.049 nan 8.380 nan 0.000 0.511 335 A N 0.426 123.282 122.820 0.060 0.000 2.427 335 A HA 0.502 4.827 4.320 0.009 0.000 0.298 335 A C -1.115 176.520 177.584 0.086 0.000 1.036 335 A CA -0.619 51.484 52.037 0.111 0.000 0.701 335 A CB 0.917 19.953 19.000 0.060 0.000 1.250 335 A HN 0.573 nan 8.150 nan 0.000 0.412 336 L N 3.020 124.316 121.223 0.120 0.000 2.295 336 L HA 0.706 5.051 4.340 0.009 0.000 0.285 336 L C -1.244 175.645 176.870 0.031 0.000 1.035 336 L CA -0.725 54.108 54.840 -0.012 0.000 0.806 336 L CB 1.583 43.600 42.059 -0.071 0.000 1.214 336 L HN 0.475 nan 8.230 nan 0.000 0.426 337 V N 5.220 125.085 119.914 -0.082 0.000 2.380 337 V HA 0.309 4.434 4.120 0.009 0.000 0.286 337 V C -0.503 175.537 176.094 -0.091 0.000 1.015 337 V CA -0.479 61.834 62.300 0.022 0.000 0.834 337 V CB 1.334 33.221 31.823 0.107 0.000 1.009 337 V HN 0.441 nan 8.190 nan 0.000 0.428 338 F N 4.185 124.209 119.950 0.123 0.000 2.410 338 F HA 0.382 4.914 4.527 0.009 0.000 0.348 338 F C 0.967 176.873 175.800 0.176 0.000 1.106 338 F CA -0.223 57.846 58.000 0.114 0.000 1.163 338 F CB 1.757 40.832 39.000 0.124 0.000 1.129 338 F HN 0.398 nan 8.300 nan 0.000 0.516 339 V N 0.574 120.681 119.914 0.323 0.000 3.159 339 V HA 0.681 4.806 4.120 0.009 0.000 0.333 339 V C 0.299 176.660 176.094 0.446 0.000 1.424 339 V CA 0.107 62.616 62.300 0.348 0.000 1.125 339 V CB -0.025 31.827 31.823 0.048 0.000 1.075 339 V HN 0.754 nan 8.190 nan 0.000 0.482 340 G N -0.935 108.108 108.800 0.404 0.000 2.690 340 G HA2 0.475 4.440 3.960 0.009 0.000 0.293 340 G HA3 0.475 4.440 3.960 0.009 0.000 0.293 340 G C -1.732 173.098 174.900 -0.116 0.000 1.399 340 G CA -1.019 44.194 45.100 0.188 0.000 0.890 340 G HN 0.218 nan 8.290 nan 0.000 0.485 341 Y N 1.375 121.312 120.300 -0.605 0.000 2.620 341 Y HA 0.280 4.835 4.550 0.009 0.000 0.330 341 Y C 0.145 175.955 175.900 -0.150 0.000 1.186 341 Y CA 0.201 58.003 58.100 -0.497 0.000 1.467 341 Y CB 0.804 39.080 38.460 -0.307 0.000 1.262 341 Y HN 0.250 nan 8.280 nan 0.000 0.550 342 Q N 9.169 128.601 119.800 -0.613 0.000 2.368 342 Q HA 0.300 4.646 4.340 0.009 0.000 0.256 342 Q C -2.276 173.311 176.000 -0.689 0.000 0.980 342 Q CA -2.151 53.359 55.803 -0.489 0.000 0.887 342 Q CB 1.034 29.428 28.738 -0.574 0.000 1.221 342 Q HN 0.584 nan 8.270 nan 0.000 0.458 343 P HA -0.084 nan 4.420 nan 0.000 0.271 343 P C -0.248 176.969 177.300 -0.138 0.000 1.238 343 P CA -0.169 62.894 63.100 -0.061 0.000 0.794 343 P CB 0.615 32.402 31.700 0.144 0.000 0.959 344 Q N 0.206 119.979 119.800 -0.044 0.000 2.337 344 Q HA 0.213 4.559 4.340 0.009 0.000 0.270 344 Q C 0.940 176.921 176.000 -0.031 0.000 1.002 344 Q CA 0.373 56.149 55.803 -0.046 0.000 0.888 344 Q CB -0.577 28.161 28.738 -0.000 0.000 1.222 344 Q HN 0.898 nan 8.270 nan 0.000 0.400 345 G N 1.775 110.550 108.800 -0.041 0.000 2.153 345 G HA2 -0.229 3.737 3.960 0.009 0.000 0.252 345 G HA3 -0.229 3.737 3.960 0.009 0.000 0.252 345 G C 0.332 175.219 174.900 -0.022 0.000 0.994 345 G CA 0.135 45.220 45.100 -0.026 0.000 0.698 345 G HN 1.050 nan 8.290 nan 0.000 0.521 346 G N -1.522 107.255 108.800 -0.038 0.000 2.491 346 G HA2 0.632 4.597 3.960 0.009 0.000 0.327 346 G HA3 0.632 4.597 3.960 0.009 0.000 0.327 346 G C 0.980 175.864 174.900 -0.026 0.000 1.189 346 G CA -0.087 45.000 45.100 -0.022 0.000 0.956 346 G HN 0.810 nan 8.290 nan 0.000 0.491 347 L N 1.192 122.416 121.223 0.002 0.000 2.187 347 L HA 0.069 4.415 4.340 0.009 0.000 0.213 347 L C 2.419 179.301 176.870 0.020 0.000 1.100 347 L CA 2.513 57.364 54.840 0.019 0.000 0.765 347 L CB -0.864 41.220 42.059 0.042 0.000 0.904 347 L HN 0.608 nan 8.230 nan 0.000 0.437 348 G N -0.725 108.058 108.800 -0.027 0.000 2.637 348 G HA2 -0.266 3.700 3.960 0.009 0.000 0.215 348 G HA3 -0.266 3.700 3.960 0.009 0.000 0.215 348 G C 1.609 176.351 174.900 -0.262 0.000 1.289 348 G CA 1.180 46.172 45.100 -0.180 0.000 0.816 348 G HN 0.601 nan 8.290 nan 0.000 0.580 349 A N 0.604 123.263 122.820 -0.268 0.000 1.971 349 A HA -0.227 4.098 4.320 0.009 0.000 0.222 349 A C 2.187 179.702 177.584 -0.114 0.000 1.182 349 A CA 2.499 54.410 52.037 -0.211 0.000 0.649 349 A CB -0.703 18.193 19.000 -0.174 0.000 0.818 349 A HN 0.611 nan 8.150 nan 0.000 0.458 350 E N -0.333 119.825 120.200 -0.071 0.000 2.070 350 E HA -0.210 4.145 4.350 0.009 0.000 0.197 350 E C 1.878 178.472 176.600 -0.009 0.000 1.004 350 E CA 1.640 58.022 56.400 -0.030 0.000 0.805 350 E CB -0.253 29.440 29.700 -0.013 0.000 0.744 350 E HN 0.706 nan 8.360 nan 0.000 0.451 351 I N 0.767 121.347 120.570 0.017 0.000 2.315 351 I HA -0.237 3.938 4.170 0.009 0.000 0.248 351 I C 2.281 178.430 176.117 0.054 0.000 1.117 351 I CA 0.779 62.119 61.300 0.067 0.000 1.404 351 I CB -0.175 37.928 38.000 0.173 0.000 1.071 351 I HN 0.210 nan 8.210 nan 0.000 0.419 352 I N 1.056 121.627 120.570 0.002 0.000 2.567 352 I HA -0.215 3.960 4.170 0.009 0.000 0.257 352 I C 2.422 178.530 176.117 -0.016 0.000 1.184 352 I CA 0.856 62.147 61.300 -0.014 0.000 1.451 352 I CB -0.436 37.496 38.000 -0.113 0.000 1.089 352 I HN 0.154 nan 8.210 nan 0.000 0.441 353 A N 0.511 123.319 122.820 -0.021 0.000 2.235 353 A HA -0.044 4.281 4.320 0.009 0.000 0.208 353 A C 1.439 179.020 177.584 -0.005 0.000 1.172 353 A CA 0.051 52.078 52.037 -0.016 0.000 0.786 353 A CB -0.399 18.589 19.000 -0.019 0.000 0.804 353 A HN 0.406 nan 8.150 nan 0.000 0.479 354 R N -1.357 119.145 120.500 0.004 0.000 3.502 354 R HA -0.128 4.217 4.340 0.009 0.000 0.266 354 R C -2.113 174.191 176.300 0.006 0.000 1.077 354 R CA 0.834 56.938 56.100 0.007 0.000 0.718 354 R CB -2.239 28.061 30.300 -0.001 0.000 1.120 354 R HN 0.521 nan 8.270 nan 0.000 0.457 355 P HA 0.069 nan 4.420 nan 0.000 0.272 355 P C -1.739 175.565 177.300 0.006 0.000 1.254 355 P CA -0.848 62.254 63.100 0.004 0.000 0.795 355 P CB 0.360 32.062 31.700 0.003 0.000 1.022 356 P HA -0.003 nan 4.420 nan 0.000 0.219 356 P C 0.318 177.621 177.300 0.005 0.000 1.150 356 P CA 1.359 64.462 63.100 0.004 0.000 0.814 356 P CB 0.227 31.928 31.700 0.002 0.000 0.787 357 A N -1.523 121.300 122.820 0.004 0.000 2.581 357 A HA 0.647 4.973 4.320 0.009 0.000 0.290 357 A C -1.482 176.105 177.584 0.004 0.000 1.119 357 A CA -0.455 51.584 52.037 0.003 0.000 0.670 357 A CB 1.580 20.579 19.000 -0.001 0.000 1.280 357 A HN -0.147 nan 8.150 nan 0.000 0.425 358 V N -0.144 119.771 119.914 0.002 0.000 3.087 358 V HA 0.588 4.714 4.120 0.009 0.000 0.306 358 V C -0.289 175.801 176.094 -0.007 0.000 1.187 358 V CA -0.728 61.574 62.300 0.003 0.000 0.999 358 V CB 2.087 33.918 31.823 0.014 0.000 1.049 358 V HN 0.929 nan 8.190 nan 0.000 0.431 359 R N 2.473 122.969 120.500 -0.008 0.000 2.198 359 R HA 0.693 5.038 4.340 0.009 0.000 0.339 359 R C -1.393 174.894 176.300 -0.021 0.000 1.020 359 R CA -0.254 55.837 56.100 -0.016 0.000 0.864 359 R CB 0.476 30.769 30.300 -0.012 0.000 1.105 359 R HN 0.703 nan 8.270 nan 0.000 0.463 360 I N 6.043 126.591 120.570 -0.036 0.000 2.436 360 I HA 0.176 4.351 4.170 0.009 0.000 0.289 360 I C 0.187 176.260 176.117 -0.074 0.000 1.010 360 I CA -0.941 60.327 61.300 -0.053 0.000 1.098 360 I CB 1.853 39.818 38.000 -0.059 0.000 1.266 360 I HN 0.702 nan 8.210 nan 0.000 0.434 361 L N 7.136 128.312 121.223 -0.079 0.000 3.823 361 L HA -0.271 4.074 4.340 0.009 0.000 0.525 361 L C 1.160 178.000 176.870 -0.050 0.000 1.247 361 L CA 0.811 55.602 54.840 -0.081 0.000 0.776 361 L CB -1.609 40.365 42.059 -0.142 0.000 1.443 361 L HN 1.161 nan 8.230 nan 0.000 0.831 362 G N -0.419 108.361 108.800 -0.034 0.000 2.166 362 G HA2 -0.271 3.695 3.960 0.009 0.000 0.260 362 G HA3 -0.271 3.695 3.960 0.009 0.000 0.260 362 G C 0.129 175.014 174.900 -0.024 0.000 0.986 362 G CA 0.818 45.905 45.100 -0.022 0.000 0.683 362 G HN 0.623 nan 8.290 nan 0.000 0.527 363 E N -1.017 119.162 120.200 -0.035 0.000 2.390 363 E HA 0.458 4.813 4.350 0.009 0.000 0.277 363 E C -1.077 175.502 176.600 -0.035 0.000 0.939 363 E CA -0.980 55.399 56.400 -0.035 0.000 0.769 363 E CB 1.475 31.148 29.700 -0.046 0.000 1.251 363 E HN 0.081 nan 8.360 nan 0.000 0.450 364 E N 1.556 121.740 120.200 -0.027 0.000 2.105 364 E HA 0.233 4.588 4.350 0.009 0.000 0.285 364 E C -1.502 175.082 176.600 -0.027 0.000 1.055 364 E CA -0.282 56.105 56.400 -0.022 0.000 0.843 364 E CB 1.195 30.887 29.700 -0.014 0.000 1.067 364 E HN 0.211 nan 8.360 nan 0.000 0.398 365 V N 6.947 126.844 119.914 -0.028 0.000 2.357 365 V HA 0.514 4.639 4.120 0.009 0.000 0.284 365 V C -2.486 173.600 176.094 -0.014 0.000 1.018 365 V CA -2.676 59.605 62.300 -0.031 0.000 0.841 365 V CB 1.404 33.196 31.823 -0.052 0.000 0.991 365 V HN 0.665 nan 8.190 nan 0.000 0.437 366 P HA 0.024 nan 4.420 nan 0.000 0.264 366 P C -0.867 176.437 177.300 0.007 0.000 1.179 366 P CA 0.080 63.181 63.100 0.000 0.000 0.763 366 P CB 0.314 32.015 31.700 0.002 0.000 0.806 367 L N 4.624 125.854 121.223 0.012 0.000 2.321 367 L HA 0.281 4.626 4.340 0.009 0.000 0.272 367 L C 0.820 177.702 176.870 0.020 0.000 1.050 367 L CA 0.391 55.242 54.840 0.020 0.000 0.893 367 L CB -0.110 41.963 42.059 0.024 0.000 1.272 367 L HN 0.271 nan 8.230 nan 0.000 0.435 368 R N 3.018 123.532 120.500 0.023 0.000 2.221 368 R HA 0.430 4.775 4.340 0.009 0.000 0.195 368 R C 0.800 177.118 176.300 0.031 0.000 0.956 368 R CA 0.287 56.400 56.100 0.023 0.000 1.064 368 R CB 0.179 30.492 30.300 0.021 0.000 1.049 368 R HN 0.647 nan 8.270 nan 0.000 0.534 369 A N 2.052 124.895 122.820 0.037 0.000 2.547 369 A HA 0.089 4.414 4.320 0.009 0.000 0.233 369 A C 0.568 178.186 177.584 0.056 0.000 1.067 369 A CA 0.157 52.224 52.037 0.050 0.000 0.763 369 A CB 0.184 19.216 19.000 0.052 0.000 1.007 369 A HN 0.363 nan 8.150 nan 0.000 0.506 370 S N 0.491 116.243 115.700 0.086 0.000 2.601 370 S HA 0.530 5.006 4.470 0.009 0.000 0.271 370 S C -0.243 174.403 174.600 0.076 0.000 1.305 370 S CA -0.561 57.683 58.200 0.074 0.000 1.022 370 S CB 0.956 64.276 63.200 0.200 0.000 0.940 370 S HN 0.895 nan 8.310 nan 0.000 0.525 371 V N 3.860 123.715 119.914 -0.100 0.000 2.715 371 V HA 0.579 4.704 4.120 0.009 0.000 0.310 371 V C -0.445 175.458 176.094 -0.319 0.000 1.054 371 V CA -0.617 61.669 62.300 -0.023 0.000 0.928 371 V CB 1.584 33.444 31.823 0.061 0.000 1.007 371 V HN 1.010 nan 8.190 nan 0.000 0.437 372 H N 1.359 120.520 119.070 0.151 0.000 2.996 372 H HA 0.459 5.021 4.556 0.009 0.000 0.368 372 H C -1.226 174.235 175.328 0.222 0.000 1.185 372 H CA -0.580 55.555 56.048 0.145 0.000 1.160 372 H CB 2.561 32.392 29.762 0.115 0.000 1.820 372 H HN 0.520 nan 8.280 nan 0.000 0.547 373 T N 3.477 118.199 114.554 0.280 0.000 2.864 373 T HA 0.270 4.625 4.350 0.009 0.000 0.299 373 T C 0.544 175.335 174.700 0.152 0.000 1.011 373 T CA -0.668 61.597 62.100 0.276 0.000 0.975 373 T CB 0.456 69.445 68.868 0.202 0.000 0.962 373 T HN 0.299 nan 8.240 nan 0.000 0.448 374 L N 3.141 124.447 121.223 0.139 0.000 2.598 374 L HA 0.325 4.670 4.340 0.009 0.000 0.241 374 L C 1.964 178.686 176.870 -0.248 0.000 1.244 374 L CA -0.574 54.229 54.840 -0.061 0.000 1.198 374 L CB -0.107 41.909 42.059 -0.071 0.000 1.448 374 L HN 0.875 nan 8.230 nan 0.000 0.406 375 G N 0.904 109.423 108.800 -0.467 0.000 2.517 375 G HA2 -0.275 3.690 3.960 0.009 0.000 0.222 375 G HA3 -0.275 3.690 3.960 0.009 0.000 0.222 375 G C 1.456 175.841 174.900 -0.859 0.000 1.109 375 G CA 0.860 45.215 45.100 -1.243 0.000 0.746 375 G HN 0.674 nan 8.290 nan 0.000 0.576 376 G N -0.263 108.248 108.800 -0.481 0.000 2.586 376 G HA2 -0.059 3.907 3.960 0.009 0.000 0.215 376 G HA3 -0.059 3.907 3.960 0.009 0.000 0.215 376 G C 1.213 176.021 174.900 -0.154 0.000 1.128 376 G CA 0.057 44.960 45.100 -0.328 0.000 0.774 376 G HN 0.498 nan 8.290 nan 0.000 0.543 377 F N -0.546 119.340 119.950 -0.108 0.000 2.727 377 F HA 0.335 4.868 4.527 0.009 0.000 0.302 377 F C 0.628 176.545 175.800 0.194 0.000 1.097 377 F CA -0.982 57.067 58.000 0.082 0.000 1.330 377 F CB 0.261 39.294 39.000 0.055 0.000 1.084 377 F HN 0.054 nan 8.300 nan 0.000 0.578 378 Y N 0.185 120.511 120.300 0.042 0.000 2.497 378 Y HA 0.010 4.565 4.550 0.009 0.000 0.334 378 Y C 1.691 177.487 175.900 -0.174 0.000 1.199 378 Y CA -0.444 57.639 58.100 -0.028 0.000 1.425 378 Y CB 0.868 39.311 38.460 -0.029 0.000 1.291 378 Y HN 0.073 nan 8.280 nan 0.000 0.562 379 G N 2.267 111.182 108.800 0.191 0.000 2.408 379 G HA2 -0.132 3.834 3.960 0.009 0.000 0.217 379 G HA3 -0.132 3.834 3.960 0.009 0.000 0.217 379 G C 0.413 175.294 174.900 -0.032 0.000 1.150 379 G CA 0.405 45.545 45.100 0.067 0.000 0.776 379 G HN 0.613 nan 8.290 nan 0.000 0.542 380 H N -0.497 118.651 119.070 0.131 0.000 2.570 380 H HA 0.543 5.105 4.556 0.009 0.000 0.342 380 H C 0.062 175.425 175.328 0.058 0.000 1.245 380 H CA -0.527 55.562 56.048 0.069 0.000 1.318 380 H CB 1.355 31.161 29.762 0.074 0.000 1.694 380 H HN 0.173 nan 8.280 nan 0.000 0.592 381 A N 1.022 123.902 122.820 0.100 0.000 2.491 381 A HA 0.316 4.641 4.320 0.009 0.000 0.261 381 A C 0.991 178.568 177.584 -0.011 0.000 1.101 381 A CA 0.340 52.397 52.037 0.034 0.000 0.772 381 A CB -0.492 18.465 19.000 -0.072 0.000 1.043 381 A HN 0.745 nan 8.150 nan 0.000 0.501 382 G N 0.557 109.311 108.800 -0.076 0.000 2.651 382 G HA2 0.273 4.239 3.960 0.009 0.000 0.260 382 G HA3 0.273 4.239 3.960 0.009 0.000 0.260 382 G C 0.772 175.628 174.900 -0.074 0.000 1.216 382 G CA 0.310 45.233 45.100 -0.296 0.000 0.913 382 G HN 0.933 nan 8.290 nan 0.000 0.535 383 Q N -0.443 119.332 119.800 -0.041 0.000 2.096 383 Q HA -0.246 4.099 4.340 0.009 0.000 0.208 383 Q C 2.060 178.073 176.000 0.021 0.000 0.993 383 Q CA 2.508 58.315 55.803 0.008 0.000 0.862 383 Q CB -0.221 28.528 28.738 0.019 0.000 0.915 383 Q HN 0.745 nan 8.270 nan 0.000 0.416 384 D N -0.217 120.195 120.400 0.020 0.000 2.117 384 D HA -0.220 4.426 4.640 0.009 0.000 0.197 384 D C 1.408 177.738 176.300 0.049 0.000 0.987 384 D CA 1.643 55.665 54.000 0.036 0.000 0.829 384 D CB -0.564 40.259 40.800 0.038 0.000 0.961 384 D HN 0.497 nan 8.370 nan 0.000 0.460 385 E N -0.369 119.859 120.200 0.047 0.000 2.106 385 E HA -0.090 4.266 4.350 0.009 0.000 0.192 385 E C 2.072 178.723 176.600 0.085 0.000 0.984 385 E CA 0.171 56.609 56.400 0.063 0.000 0.806 385 E CB -0.001 29.728 29.700 0.048 0.000 0.750 385 E HN 0.101 nan 8.360 nan 0.000 0.458 386 L N 0.616 121.873 121.223 0.058 0.000 1.994 386 L HA -0.187 4.158 4.340 0.009 0.000 0.208 386 L C 2.171 179.118 176.870 0.128 0.000 1.071 386 L CA 1.562 56.449 54.840 0.079 0.000 0.745 386 L CB -0.845 41.238 42.059 0.041 0.000 0.892 386 L HN 0.199 nan 8.230 nan 0.000 0.431 387 L N -0.805 120.469 121.223 0.086 0.000 2.043 387 L HA -0.280 4.065 4.340 0.009 0.000 0.212 387 L C 2.153 179.073 176.870 0.083 0.000 1.075 387 L CA 1.530 56.415 54.840 0.074 0.000 0.752 387 L CB -0.701 41.388 42.059 0.050 0.000 0.891 387 L HN 0.265 nan 8.230 nan 0.000 0.432 388 D N -1.264 119.194 120.400 0.096 0.000 2.117 388 D HA -0.217 4.428 4.640 0.009 0.000 0.197 388 D C 1.688 178.055 176.300 0.111 0.000 0.987 388 D CA 0.979 55.032 54.000 0.088 0.000 0.829 388 D CB -0.201 40.654 40.800 0.091 0.000 0.961 388 D HN 0.334 nan 8.370 nan 0.000 0.460 389 W N 0.506 121.786 121.300 -0.032 0.000 2.379 389 W HA -0.082 4.583 4.660 0.008 0.000 0.307 389 W C 1.549 178.025 176.519 -0.072 0.000 1.200 389 W CA 0.703 58.013 57.345 -0.059 0.000 1.297 389 W CB -0.183 29.235 29.460 -0.071 0.000 1.140 389 W HN -0.086 nan 8.180 nan 0.000 0.507 390 L N 0.878 122.197 121.223 0.159 0.000 2.376 390 L HA -0.009 4.336 4.340 0.009 0.000 0.219 390 L C 1.309 178.145 176.870 -0.057 0.000 1.133 390 L CA 1.138 55.995 54.840 0.027 0.000 0.816 390 L CB -1.828 40.298 42.059 0.112 0.000 0.933 390 L HN 0.077 nan 8.230 nan 0.000 0.449 391 Q N -0.475 119.300 119.800 -0.041 0.000 2.326 391 Q HA 0.145 4.490 4.340 0.009 0.000 0.314 391 Q C 1.348 177.300 176.000 -0.081 0.000 1.091 391 Q CA 1.126 56.901 55.803 -0.046 0.000 0.974 391 Q CB 0.188 28.907 28.738 -0.031 0.000 1.220 391 Q HN 0.490 nan 8.270 nan 0.000 0.398 392 G N 2.420 111.187 108.800 -0.056 0.000 2.196 392 G HA2 -0.258 3.708 3.960 0.009 0.000 0.268 392 G HA3 -0.258 3.708 3.960 0.009 0.000 0.268 392 G C -0.409 174.449 174.900 -0.069 0.000 0.975 392 G CA 0.491 45.555 45.100 -0.060 0.000 0.648 392 G HN 0.639 nan 8.290 nan 0.000 0.538 393 E N 1.001 121.154 120.200 -0.079 0.000 2.194 393 E HA 0.226 4.581 4.350 0.009 0.000 0.284 393 E C -0.908 175.666 176.600 -0.045 0.000 1.035 393 E CA -1.347 55.007 56.400 -0.078 0.000 0.836 393 E CB 1.770 31.407 29.700 -0.104 0.000 1.070 393 E HN 0.269 nan 8.360 nan 0.000 0.401 394 P HA -0.168 nan 4.420 nan 0.000 0.214 394 P C -0.032 177.258 177.300 -0.017 0.000 1.163 394 P CA 1.386 64.472 63.100 -0.024 0.000 0.889 394 P CB 0.502 32.188 31.700 -0.023 0.000 0.790 395 R N -0.942 119.548 120.500 -0.017 0.000 2.670 395 R HA 0.664 5.010 4.340 0.009 0.000 0.289 395 R C -1.165 175.132 176.300 -0.004 0.000 0.965 395 R CA -0.861 55.233 56.100 -0.010 0.000 0.899 395 R CB 2.738 33.032 30.300 -0.010 0.000 1.173 395 R HN -0.180 nan 8.270 nan 0.000 0.456 396 V N 2.723 122.639 119.914 0.003 0.000 2.612 396 V HA 0.276 4.401 4.120 0.009 0.000 0.301 396 V C -0.798 175.304 176.094 0.014 0.000 1.059 396 V CA -0.844 61.466 62.300 0.016 0.000 0.886 396 V CB 2.201 34.040 31.823 0.026 0.000 1.007 396 V HN 0.470 nan 8.190 nan 0.000 0.426 397 V N 5.991 125.913 119.914 0.013 0.000 2.394 397 V HA 0.479 4.604 4.120 0.009 0.000 0.282 397 V C -0.415 175.686 176.094 0.011 0.000 1.031 397 V CA -0.627 61.672 62.300 -0.001 0.000 0.881 397 V CB 1.602 33.408 31.823 -0.028 0.000 0.982 397 V HN 0.540 nan 8.190 nan 0.000 0.451 398 L N 6.677 127.908 121.223 0.014 0.000 2.275 398 L HA 0.687 5.033 4.340 0.009 0.000 0.288 398 L C 0.136 177.026 176.870 0.034 0.000 1.046 398 L CA 0.280 55.138 54.840 0.029 0.000 0.805 398 L CB 1.457 43.533 42.059 0.028 0.000 1.193 398 L HN 0.642 nan 8.230 nan 0.000 0.426 399 V N -0.070 119.882 119.914 0.063 0.000 3.119 399 V HA 0.620 4.745 4.120 0.009 0.000 0.311 399 V C -0.057 176.146 176.094 0.182 0.000 1.259 399 V CA -1.009 61.355 62.300 0.106 0.000 1.067 399 V CB 1.435 33.320 31.823 0.104 0.000 1.123 399 V HN 0.792 nan 8.190 nan 0.000 0.463 400 H N 0.315 119.428 119.070 0.071 0.000 2.861 400 H HA 0.027 4.589 4.556 0.009 0.000 0.319 400 H C -0.161 175.142 175.328 -0.041 0.000 0.994 400 H CA 1.525 57.593 56.048 0.033 0.000 1.032 400 H CB -0.999 28.800 29.762 0.061 0.000 1.615 400 H HN 2.185 nan 8.280 nan 0.000 0.357 401 G N 2.961 111.798 108.800 0.062 0.000 2.368 401 G HA2 0.205 4.171 3.960 0.009 0.000 0.303 401 G HA3 0.205 4.171 3.960 0.009 0.000 0.303 401 G C -1.071 173.812 174.900 -0.028 0.000 1.590 401 G CA -0.519 44.583 45.100 0.004 0.000 0.938 401 G HN 0.338 nan 8.290 nan 0.000 0.675 402 E N 0.647 120.809 120.200 -0.062 0.000 2.414 402 E HA 0.102 4.458 4.350 0.009 0.000 0.263 402 E C 1.168 177.753 176.600 -0.024 0.000 1.000 402 E CA 0.208 56.583 56.400 -0.043 0.000 0.914 402 E CB 1.785 31.453 29.700 -0.054 0.000 0.948 402 E HN 0.677 nan 8.360 nan 0.000 0.444 403 E N 2.674 122.867 120.200 -0.010 0.000 2.095 403 E HA -0.356 3.999 4.350 0.009 0.000 0.212 403 E C 1.184 177.781 176.600 -0.005 0.000 1.044 403 E CA 2.194 58.593 56.400 -0.003 0.000 0.857 403 E CB 0.170 29.870 29.700 -0.000 0.000 0.764 403 E HN 0.475 nan 8.360 nan 0.000 0.462 404 E N 0.435 120.631 120.200 -0.007 0.000 2.118 404 E HA -0.184 4.171 4.350 0.009 0.000 0.195 404 E C 1.975 178.570 176.600 -0.009 0.000 0.992 404 E CA 1.223 57.620 56.400 -0.005 0.000 0.804 404 E CB -0.046 29.653 29.700 -0.002 0.000 0.741 404 E HN 0.169 nan 8.360 nan 0.000 0.458 405 K N 0.145 120.531 120.400 -0.024 0.000 2.057 405 K HA -0.057 4.269 4.320 0.009 0.000 0.206 405 K C 2.059 178.649 176.600 -0.017 0.000 1.050 405 K CA 0.586 56.853 56.287 -0.033 0.000 0.935 405 K CB -0.456 31.995 32.500 -0.082 0.000 0.715 405 K HN 0.119 nan 8.250 nan 0.000 0.439 406 L N 1.002 122.218 121.223 -0.012 0.000 2.017 406 L HA -0.161 4.184 4.340 0.009 0.000 0.208 406 L C 2.247 179.121 176.870 0.006 0.000 1.073 406 L CA 1.278 56.119 54.840 0.002 0.000 0.745 406 L CB -0.852 41.212 42.059 0.008 0.000 0.894 406 L HN 0.036 nan 8.230 nan 0.000 0.432 407 L N -0.614 120.612 121.223 0.005 0.000 1.970 407 L HA -0.204 4.142 4.340 0.009 0.000 0.212 407 L C 2.705 179.581 176.870 0.008 0.000 1.071 407 L CA 2.139 56.983 54.840 0.007 0.000 0.751 407 L CB -1.793 40.269 42.059 0.005 0.000 0.889 407 L HN 0.305 nan 8.230 nan 0.000 0.432 408 A N -0.826 121.998 122.820 0.008 0.000 1.915 408 A HA -0.279 4.046 4.320 0.009 0.000 0.220 408 A C 2.425 180.017 177.584 0.014 0.000 1.198 408 A CA 2.332 54.376 52.037 0.011 0.000 0.647 408 A CB -0.985 18.022 19.000 0.011 0.000 0.825 408 A HN 0.448 nan 8.150 nan 0.000 0.456 409 L N -1.053 120.178 121.223 0.014 0.000 2.056 409 L HA -0.086 4.260 4.340 0.009 0.000 0.207 409 L C 2.623 179.504 176.870 0.019 0.000 1.078 409 L CA 1.493 56.344 54.840 0.019 0.000 0.749 409 L CB -0.854 41.217 42.059 0.020 0.000 0.901 409 L HN 0.483 nan 8.230 nan 0.000 0.433 410 G N -0.034 108.776 108.800 0.016 0.000 2.491 410 G HA2 -0.379 3.586 3.960 0.009 0.000 0.218 410 G HA3 -0.379 3.586 3.960 0.009 0.000 0.218 410 G C 1.575 176.483 174.900 0.013 0.000 1.180 410 G CA 1.144 46.253 45.100 0.014 0.000 0.774 410 G HN 0.329 nan 8.290 nan 0.000 0.562 411 K N -0.034 120.373 120.400 0.012 0.000 2.032 411 K HA -0.131 4.194 4.320 0.009 0.000 0.218 411 K C 2.580 179.188 176.600 0.012 0.000 1.054 411 K CA 1.702 57.996 56.287 0.011 0.000 0.941 411 K CB -0.414 32.093 32.500 0.011 0.000 0.720 411 K HN 0.345 nan 8.250 nan 0.000 0.449 412 L N 0.692 121.924 121.223 0.015 0.000 2.042 412 L HA -0.234 4.112 4.340 0.009 0.000 0.210 412 L C 2.481 179.360 176.870 0.015 0.000 1.076 412 L CA 1.188 56.037 54.840 0.016 0.000 0.749 412 L CB -0.486 41.584 42.059 0.020 0.000 0.893 412 L HN 0.271 nan 8.230 nan 0.000 0.432 413 L N -0.445 120.788 121.223 0.017 0.000 1.989 413 L HA -0.242 4.104 4.340 0.009 0.000 0.211 413 L C 2.956 179.832 176.870 0.010 0.000 1.071 413 L CA 1.334 56.183 54.840 0.015 0.000 0.749 413 L CB -0.856 41.213 42.059 0.018 0.000 0.890 413 L HN 0.265 nan 8.230 nan 0.000 0.431 414 A N 0.371 123.197 122.820 0.009 0.000 1.869 414 A HA -0.249 4.076 4.320 0.009 0.000 0.218 414 A C 2.187 179.774 177.584 0.005 0.000 1.203 414 A CA 1.966 54.006 52.037 0.006 0.000 0.638 414 A CB -1.084 17.919 19.000 0.006 0.000 0.831 414 A HN 0.409 nan 8.150 nan 0.000 0.450 415 L N -1.488 119.739 121.223 0.007 0.000 2.450 415 L HA -0.101 4.244 4.340 0.009 0.000 0.224 415 L C 2.541 179.414 176.870 0.006 0.000 1.149 415 L CA 1.230 56.074 54.840 0.006 0.000 0.816 415 L CB -0.308 41.755 42.059 0.008 0.000 0.932 415 L HN 0.407 nan 8.230 nan 0.000 0.449 416 R N -0.062 120.441 120.500 0.006 0.000 2.317 416 R HA 0.089 4.434 4.340 0.009 0.000 0.208 416 R C 1.147 177.448 176.300 0.001 0.000 0.914 416 R CA 0.650 56.753 56.100 0.004 0.000 1.060 416 R CB 0.308 30.612 30.300 0.006 0.000 1.015 416 R HN 0.287 nan 8.270 nan 0.000 0.498 417 G N 0.468 109.268 108.800 0.001 0.000 2.141 417 G HA2 -0.266 3.699 3.960 0.009 0.000 0.231 417 G HA3 -0.266 3.699 3.960 0.009 0.000 0.231 417 G C -0.344 174.553 174.900 -0.003 0.000 0.984 417 G CA -0.185 44.913 45.100 -0.002 0.000 0.660 417 G HN 0.397 nan 8.290 nan 0.000 0.525 418 Q N 0.278 120.077 119.800 -0.002 0.000 2.271 418 Q HA 0.448 4.793 4.340 0.009 0.000 0.258 418 Q C -0.210 175.790 176.000 -0.001 0.000 0.936 418 Q CA -0.461 55.340 55.803 -0.003 0.000 0.909 418 Q CB 1.271 30.009 28.738 -0.001 0.000 1.253 418 Q HN 0.533 nan 8.270 nan 0.000 0.440 419 E N 1.576 121.774 120.200 -0.003 0.000 2.257 419 E HA 0.237 4.592 4.350 0.009 0.000 0.278 419 E C -1.015 175.585 176.600 -0.000 0.000 1.049 419 E CA -0.152 56.247 56.400 -0.003 0.000 0.876 419 E CB 1.285 30.982 29.700 -0.005 0.000 1.035 419 E HN 0.165 nan 8.360 nan 0.000 0.419 420 V N 2.626 122.541 119.914 0.002 0.000 2.962 420 V HA 0.716 4.841 4.120 0.009 0.000 0.313 420 V C -1.065 175.031 176.094 0.002 0.000 1.099 420 V CA -0.284 62.019 62.300 0.004 0.000 0.971 420 V CB 2.260 34.089 31.823 0.009 0.000 1.028 420 V HN 0.827 nan 8.190 nan 0.000 0.430 421 S N 4.918 120.619 115.700 0.002 0.000 2.625 421 S HA 0.756 5.231 4.470 0.009 0.000 0.271 421 S C -1.699 172.902 174.600 0.002 0.000 1.161 421 S CA -0.790 57.409 58.200 -0.000 0.000 0.820 421 S CB 1.657 64.853 63.200 -0.006 0.000 1.137 421 S HN 0.693 nan 8.310 nan 0.000 0.470 422 L N 2.199 123.423 121.223 0.002 0.000 2.301 422 L HA 0.696 5.042 4.340 0.009 0.000 0.278 422 L C 0.751 177.623 176.870 0.004 0.000 1.022 422 L CA -0.168 54.676 54.840 0.007 0.000 0.854 422 L CB 0.636 42.701 42.059 0.011 0.000 1.226 422 L HN 1.062 nan 8.230 nan 0.000 0.429 423 A N 4.723 127.541 122.820 -0.003 0.000 2.622 423 A HA 0.069 4.395 4.320 0.009 0.000 0.235 423 A C 0.436 178.023 177.584 0.006 0.000 1.013 423 A CA 0.621 52.649 52.037 -0.016 0.000 0.765 423 A CB -0.074 18.910 19.000 -0.027 0.000 0.921 423 A HN 0.700 nan 8.150 nan 0.000 0.506 424 R N 0.901 121.395 120.500 -0.010 0.000 2.562 424 R HA 0.372 4.717 4.340 0.009 0.000 0.298 424 R C -0.653 175.656 176.300 0.015 0.000 0.961 424 R CA -0.654 55.460 56.100 0.024 0.000 0.881 424 R CB 1.519 31.828 30.300 0.014 0.000 1.159 424 R HN 0.707 nan 8.270 nan 0.000 0.450 425 F N 1.862 121.781 119.950 -0.051 0.000 2.612 425 F HA 0.030 4.562 4.527 0.008 0.000 0.389 425 F C 1.402 177.107 175.800 -0.159 0.000 1.055 425 F CA 2.301 60.254 58.000 -0.078 0.000 1.232 425 F CB 0.493 39.485 39.000 -0.013 0.000 1.044 425 F HN 0.901 nan 8.300 nan 0.000 0.560 426 G N 3.808 112.083 108.800 -0.876 0.000 2.347 426 G HA2 -0.339 3.627 3.960 0.009 0.000 0.247 426 G HA3 -0.339 3.627 3.960 0.009 0.000 0.247 426 G C 0.266 174.922 174.900 -0.407 0.000 1.037 426 G CA 0.256 44.940 45.100 -0.693 0.000 0.622 426 G HN 0.643 nan 8.290 nan 0.000 0.521 427 E N 1.933 121.987 120.200 -0.243 0.000 2.029 427 E HA 0.458 4.814 4.350 0.009 0.000 0.276 427 E C 1.174 177.671 176.600 -0.172 0.000 1.163 427 E CA 0.032 56.342 56.400 -0.150 0.000 0.909 427 E CB 0.393 30.047 29.700 -0.076 0.000 1.046 427 E HN 0.524 nan 8.360 nan 0.000 0.406 428 G N 1.916 110.622 108.800 -0.157 0.000 2.614 428 G HA2 0.226 4.192 3.960 0.009 0.000 0.239 428 G HA3 0.226 4.192 3.960 0.009 0.000 0.239 428 G C -0.290 174.559 174.900 -0.086 0.000 1.240 428 G CA -0.384 44.639 45.100 -0.129 0.000 0.842 428 G HN 0.340 nan 8.290 nan 0.000 0.584 429 V N 3.453 123.321 119.914 -0.077 0.000 2.588 429 V HA 0.413 4.538 4.120 0.009 0.000 0.304 429 V C -1.962 174.108 176.094 -0.040 0.000 1.042 429 V CA -1.400 60.867 62.300 -0.055 0.000 0.877 429 V CB 2.397 34.185 31.823 -0.057 0.000 0.996 429 V HN 0.725 nan 8.190 nan 0.000 0.425 430 P HA 0.275 nan 4.420 nan 0.000 0.275 430 P C -0.416 176.874 177.300 -0.017 0.000 1.227 430 P CA 0.094 63.181 63.100 -0.021 0.000 0.781 430 P CB 1.631 33.321 31.700 -0.017 0.000 0.906 431 V N 0.000 119.906 119.914 -0.013 0.000 2.409 431 V HA 0.000 4.125 4.120 0.009 0.000 0.244 431 V CA 0.000 62.296 62.300 -0.007 0.000 1.235 431 V CB 0.000 31.823 31.823 0.001 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556