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 2bnh_1_A DATA FIRST_RESID 1 DATA SEQUENCE MNLDIHCEQL SDARWTELLP LLQQYEVVRL DDCGLTEEHC KDIGSALRAN DATA SEQUENCE PSLTELCLRT NELGDAGVHL VLQGLQSPTC KIQKLSLQNC SLTEAGCGVL DATA SEQUENCE PSTLRSLPTL RELHLSDNPL GDAGLRLLCE GLLDPQCHLE KLQLEYCRLT DATA SEQUENCE AASCEPLASV LRATRALKEL TVSNNDIGEA GARVLGQGLA DSACQLETLR DATA SEQUENCE LENCGLTPAN CKDLCGIVAS QASLRELDLG SNGLGDAGIA ELCPGLLSPA DATA SEQUENCE SRLKTLWLWE CDITASGCRD LCRVLQAKET LKELSLAGNK LGDEGARLLC DATA SEQUENCE ESLLQPGCQL ESLWVKSCSL TAACCQHVSL MLTQNKHLLE LQLSSNKLGD DATA SEQUENCE SGIQELCQAL SQPGTTLRVL CLGDCEVTNS GCSSLASLLL ANRSLRELDL DATA SEQUENCE SNNCVGDPGV LQLLGSLEQP GCALEQLVLY DTYWTEEVED RLQALEGSKP DATA SEQUENCE GLRVIS 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 0.000 176.523 176.300 0.371 0.000 1.140 1 M CA 0.000 55.515 55.300 0.358 0.000 0.988 1 M CB 0.000 32.706 32.600 0.176 0.000 1.302 2 N N -0.188 118.568 118.700 0.092 0.000 2.477 2 N HA 0.672 5.411 4.740 -0.001 0.000 0.284 2 N C 0.532 175.803 175.510 -0.399 0.000 1.182 2 N CA -0.687 52.325 53.050 -0.062 0.000 0.949 2 N CB 1.790 40.251 38.487 -0.044 0.000 1.204 2 N HN 0.011 nan 8.380 nan 0.000 0.526 3 L N 0.353 121.358 121.223 -0.363 0.000 2.630 3 L HA 0.373 4.712 4.340 -0.001 0.000 0.180 3 L C -0.789 175.951 176.870 -0.218 0.000 1.221 3 L CA 0.968 55.523 54.840 -0.474 0.000 0.853 3 L CB -0.435 41.416 42.059 -0.346 0.000 1.172 3 L HN 0.755 nan 8.230 nan 0.000 0.508 4 D N -0.205 120.127 120.400 -0.112 0.000 5.167 4 D HA -0.184 4.456 4.640 -0.001 0.000 0.237 4 D C -1.123 175.171 176.300 -0.010 0.000 1.278 4 D CA 0.651 54.623 54.000 -0.046 0.000 1.266 4 D CB -0.468 40.307 40.800 -0.041 0.000 0.704 4 D HN 0.125 nan 8.370 nan 0.000 0.350 5 I N 3.602 124.191 120.570 0.030 0.000 2.545 5 I HA 0.528 4.698 4.170 -0.001 0.000 0.292 5 I C -0.411 175.784 176.117 0.130 0.000 1.040 5 I CA -0.556 60.782 61.300 0.064 0.000 1.068 5 I CB 2.098 40.135 38.000 0.062 0.000 1.251 5 I HN 0.452 nan 8.210 nan 0.000 0.424 6 H N 4.622 123.693 119.070 0.002 0.000 2.934 6 H HA 0.389 4.945 4.556 0.001 0.000 0.340 6 H C 0.259 175.587 175.328 -0.001 0.000 1.008 6 H CA -0.853 55.195 56.048 0.000 0.000 1.317 6 H CB 1.206 30.969 29.762 0.002 0.000 1.670 6 H HN 0.736 nan 8.280 nan 0.000 0.516 7 C N 2.289 121.472 119.300 -0.195 0.000 5.878 7 C HA -0.227 4.233 4.460 -0.001 0.000 0.325 7 C C 0.763 175.679 174.990 -0.123 0.000 2.413 7 C CA 1.159 60.026 59.018 -0.252 0.000 2.175 7 C CB -1.609 25.849 27.740 -0.470 0.000 3.211 7 C HN 0.892 nan 8.230 nan 0.000 0.277 8 E N 1.570 121.721 120.200 -0.082 0.000 2.415 8 E HA 0.199 4.549 4.350 -0.001 0.000 0.263 8 E C 0.299 176.884 176.600 -0.024 0.000 0.995 8 E CA 0.160 56.537 56.400 -0.039 0.000 0.915 8 E CB 0.343 30.037 29.700 -0.009 0.000 0.951 8 E HN 0.368 nan 8.360 nan 0.000 0.449 9 Q N 1.755 121.542 119.800 -0.023 0.000 2.312 9 Q HA 0.280 4.620 4.340 -0.001 0.000 0.236 9 Q C -0.431 175.573 176.000 0.007 0.000 0.965 9 Q CA -0.419 55.370 55.803 -0.023 0.000 0.894 9 Q CB 0.875 29.597 28.738 -0.026 0.000 1.225 9 Q HN 0.348 nan 8.270 nan 0.000 0.478 10 L N 1.950 123.175 121.223 0.005 0.000 2.276 10 L HA 0.278 4.617 4.340 -0.001 0.000 0.286 10 L C 0.310 177.230 176.870 0.083 0.000 1.024 10 L CA -0.358 54.523 54.840 0.067 0.000 0.826 10 L CB 0.402 42.518 42.059 0.096 0.000 1.211 10 L HN 0.605 nan 8.230 nan 0.000 0.422 11 S N 0.702 116.457 115.700 0.092 0.000 2.576 11 S HA 0.134 4.603 4.470 -0.001 0.000 0.276 11 S C 0.774 175.454 174.600 0.134 0.000 1.339 11 S CA -0.675 57.576 58.200 0.085 0.000 1.039 11 S CB 1.240 64.481 63.200 0.069 0.000 0.902 11 S HN 0.516 nan 8.310 nan 0.000 0.516 12 D N 1.843 122.310 120.400 0.112 0.000 2.311 12 D HA -0.078 4.562 4.640 -0.001 0.000 0.212 12 D C 1.992 178.389 176.300 0.161 0.000 0.972 12 D CA 1.432 55.520 54.000 0.146 0.000 0.887 12 D CB -0.551 40.299 40.800 0.083 0.000 0.915 12 D HN 0.717 nan 8.370 nan 0.000 0.497 13 A N 0.762 123.652 122.820 0.116 0.000 1.855 13 A HA -0.149 4.171 4.320 -0.001 0.000 0.215 13 A C 2.227 179.874 177.584 0.105 0.000 1.191 13 A CA 1.258 53.349 52.037 0.091 0.000 0.613 13 A CB -0.377 18.662 19.000 0.064 0.000 0.829 13 A HN 0.101 nan 8.150 nan 0.000 0.442 14 R N -1.565 119.012 120.500 0.129 0.000 2.153 14 R HA -0.100 4.240 4.340 -0.001 0.000 0.218 14 R C 2.085 178.496 176.300 0.185 0.000 1.072 14 R CA 0.809 56.986 56.100 0.128 0.000 0.990 14 R CB -0.321 30.049 30.300 0.116 0.000 0.889 14 R HN 0.829 nan 8.270 nan 0.000 0.452 15 W N 1.188 122.518 121.300 0.050 0.000 2.321 15 W HA -0.234 4.425 4.660 -0.002 0.000 0.306 15 W C 1.085 177.634 176.519 0.050 0.000 1.217 15 W CA 1.789 59.175 57.345 0.068 0.000 1.257 15 W CB -0.156 29.360 29.460 0.093 0.000 1.145 15 W HN 0.083 nan 8.180 nan 0.000 0.509 16 T N 0.373 114.930 114.554 0.004 0.000 2.708 16 T HA -0.293 4.057 4.350 -0.001 0.000 0.266 16 T C 1.605 176.232 174.700 -0.121 0.000 1.037 16 T CA 1.869 63.903 62.100 -0.110 0.000 1.146 16 T CB -0.579 68.287 68.868 -0.003 0.000 0.865 16 T HN 0.333 nan 8.240 nan 0.000 0.435 17 E N 0.493 120.667 120.200 -0.044 0.000 2.160 17 E HA -0.134 4.215 4.350 -0.001 0.000 0.195 17 E C 2.090 178.650 176.600 -0.068 0.000 0.991 17 E CA 0.857 57.237 56.400 -0.033 0.000 0.810 17 E CB -0.142 29.563 29.700 0.009 0.000 0.742 17 E HN 0.450 nan 8.360 nan 0.000 0.466 18 L N 0.270 121.421 121.223 -0.119 0.000 1.993 18 L HA -0.162 4.178 4.340 -0.001 0.000 0.206 18 L C 2.680 179.397 176.870 -0.256 0.000 1.074 18 L CA 0.693 55.437 54.840 -0.160 0.000 0.746 18 L CB -0.603 41.362 42.059 -0.156 0.000 0.896 18 L HN 0.243 nan 8.230 nan 0.000 0.435 19 L N 0.076 120.997 121.223 -0.502 0.000 2.143 19 L HA -0.303 4.036 4.340 -0.001 0.000 0.231 19 L C -0.222 176.522 176.870 -0.209 0.000 1.106 19 L CA 2.198 56.769 54.840 -0.448 0.000 0.827 19 L CB -2.300 39.464 42.059 -0.492 0.000 0.915 19 L HN 0.301 nan 8.230 nan 0.000 0.448 20 P HA -0.178 nan 4.420 nan 0.000 0.217 20 P C 1.838 179.109 177.300 -0.049 0.000 1.150 20 P CA 1.637 64.687 63.100 -0.084 0.000 0.832 20 P CB -0.039 31.620 31.700 -0.068 0.000 0.787 21 L N -1.577 119.636 121.223 -0.016 0.000 2.201 21 L HA -0.097 4.242 4.340 -0.001 0.000 0.212 21 L C 2.559 179.508 176.870 0.131 0.000 1.105 21 L CA 0.669 55.557 54.840 0.080 0.000 0.775 21 L CB -1.089 41.091 42.059 0.202 0.000 0.913 21 L HN -0.103 nan 8.230 nan 0.000 0.440 22 L N -0.366 120.884 121.223 0.044 0.000 2.353 22 L HA -0.196 4.144 4.340 -0.001 0.000 0.220 22 L C 2.428 179.320 176.870 0.037 0.000 1.133 22 L CA 1.530 56.398 54.840 0.048 0.000 0.798 22 L CB -0.463 41.578 42.059 -0.030 0.000 0.922 22 L HN 0.305 nan 8.230 nan 0.000 0.445 23 Q N -1.716 118.083 119.800 -0.001 0.000 2.425 23 Q HA -0.052 4.288 4.340 -0.001 0.000 0.204 23 Q C 1.743 177.722 176.000 -0.035 0.000 0.933 23 Q CA 0.419 56.212 55.803 -0.017 0.000 0.939 23 Q CB 0.244 28.961 28.738 -0.035 0.000 1.044 23 Q HN 0.611 nan 8.270 nan 0.000 0.513 24 Q N -0.797 118.968 119.800 -0.057 0.000 2.388 24 Q HA 0.054 4.394 4.340 -0.001 0.000 0.204 24 Q C -0.219 175.668 176.000 -0.188 0.000 0.946 24 Q CA 0.090 55.792 55.803 -0.168 0.000 0.880 24 Q CB 0.363 28.908 28.738 -0.321 0.000 0.997 24 Q HN 0.237 nan 8.270 nan 0.000 0.552 25 Y N 1.985 122.278 120.300 -0.011 0.000 2.578 25 Y HA -0.108 4.442 4.550 -0.000 0.000 0.339 25 Y C 1.435 177.333 175.900 -0.003 0.000 1.231 25 Y CA 0.690 58.786 58.100 -0.005 0.000 1.461 25 Y CB 0.407 38.866 38.460 -0.002 0.000 1.323 25 Y HN 0.115 nan 8.280 nan 0.000 0.590 26 E N 0.700 121.009 120.200 0.181 0.000 2.170 26 E HA 0.030 4.380 4.350 -0.001 0.000 0.191 26 E C -0.597 176.056 176.600 0.090 0.000 0.981 26 E CA 0.665 57.124 56.400 0.098 0.000 0.830 26 E CB 0.326 30.070 29.700 0.073 0.000 0.775 26 E HN 0.232 nan 8.360 nan 0.000 0.470 27 V N 2.002 121.983 119.914 0.112 0.000 2.409 27 V HA 0.232 4.352 4.120 -0.001 0.000 0.290 27 V C -0.488 175.624 176.094 0.030 0.000 1.017 27 V CA -0.676 61.656 62.300 0.054 0.000 0.841 27 V CB 1.820 33.661 31.823 0.030 0.000 1.003 27 V HN -0.167 nan 8.190 nan 0.000 0.426 28 V N 5.422 125.354 119.914 0.029 0.000 2.448 28 V HA 0.601 4.720 4.120 -0.001 0.000 0.295 28 V C -0.092 176.010 176.094 0.012 0.000 1.025 28 V CA -0.700 61.610 62.300 0.017 0.000 0.859 28 V CB 1.898 33.751 31.823 0.050 0.000 0.988 28 V HN 0.848 nan 8.190 nan 0.000 0.431 29 R N 4.548 125.048 120.500 -0.000 0.000 2.435 29 R HA 0.603 4.943 4.340 -0.001 0.000 0.308 29 R C -1.167 175.148 176.300 0.026 0.000 0.975 29 R CA -0.474 55.630 56.100 0.007 0.000 0.867 29 R CB 1.143 31.438 30.300 -0.010 0.000 1.171 29 R HN 0.736 nan 8.270 nan 0.000 0.470 30 L N 3.643 124.891 121.223 0.042 0.000 2.709 30 L HA 0.310 4.649 4.340 -0.001 0.000 0.236 30 L C -0.443 176.454 176.870 0.045 0.000 1.266 30 L CA -0.676 54.199 54.840 0.058 0.000 0.987 30 L CB 0.818 42.927 42.059 0.083 0.000 1.306 30 L HN 0.502 nan 8.230 nan 0.000 0.467 31 D N 2.093 122.527 120.400 0.056 0.000 2.339 31 D HA 0.005 4.645 4.640 -0.001 0.000 0.256 31 D C 0.480 176.862 176.300 0.135 0.000 1.214 31 D CA 0.374 54.416 54.000 0.071 0.000 0.877 31 D CB 0.670 41.486 40.800 0.025 0.000 1.111 31 D HN 0.335 nan 8.370 nan 0.000 0.478 32 D N 2.528 122.979 120.400 0.085 0.000 2.803 32 D HA -0.213 4.427 4.640 -0.001 0.000 0.233 32 D C -0.659 175.650 176.300 0.015 0.000 1.182 32 D CA 0.295 54.332 54.000 0.061 0.000 0.726 32 D CB -1.154 39.716 40.800 0.116 0.000 0.987 32 D HN 0.245 nan 8.370 nan 0.000 0.412 33 C N -0.789 118.496 119.300 -0.024 0.000 2.566 33 C HA 0.867 5.326 4.460 -0.001 0.000 0.401 33 C C 2.062 176.979 174.990 -0.121 0.000 2.232 33 C CA -0.085 58.894 59.018 -0.064 0.000 1.808 33 C CB 1.156 28.856 27.740 -0.066 0.000 2.068 33 C HN 0.590 nan 8.230 nan 0.000 0.441 34 G N 0.243 108.929 108.800 -0.190 0.000 3.609 34 G HA2 0.342 4.302 3.960 -0.001 0.000 0.280 34 G HA3 0.342 4.302 3.960 -0.001 0.000 0.280 34 G C 0.107 174.772 174.900 -0.390 0.000 1.155 34 G CA -0.091 44.880 45.100 -0.215 0.000 0.876 34 G HN 0.561 nan 8.290 nan 0.000 0.535 35 L N 2.685 123.630 121.223 -0.464 0.000 2.615 35 L HA 0.210 4.549 4.340 -0.001 0.000 0.271 35 L C 1.049 177.708 176.870 -0.351 0.000 1.183 35 L CA 0.109 54.557 54.840 -0.654 0.000 0.933 35 L CB -0.034 41.771 42.059 -0.423 0.000 1.199 35 L HN 0.251 nan 8.230 nan 0.000 0.487 36 T N -1.848 112.553 114.554 -0.255 0.000 2.883 36 T HA 0.274 4.624 4.350 -0.001 0.000 0.284 36 T C 0.876 175.634 174.700 0.096 0.000 1.041 36 T CA -0.913 61.183 62.100 -0.006 0.000 1.007 36 T CB 1.555 70.453 68.868 0.049 0.000 1.220 36 T HN 0.550 nan 8.240 nan 0.000 0.552 37 E N 0.203 120.437 120.200 0.057 0.000 2.147 37 E HA -0.268 4.082 4.350 -0.001 0.000 0.199 37 E C 1.864 178.501 176.600 0.063 0.000 1.005 37 E CA 1.659 58.092 56.400 0.055 0.000 0.810 37 E CB -0.119 29.600 29.700 0.031 0.000 0.736 37 E HN 0.818 nan 8.360 nan 0.000 0.460 38 E N -0.166 120.059 120.200 0.043 0.000 2.171 38 E HA -0.251 4.099 4.350 -0.001 0.000 0.197 38 E C 1.557 178.055 176.600 -0.170 0.000 0.997 38 E CA 1.399 57.748 56.400 -0.085 0.000 0.810 38 E CB 0.038 29.619 29.700 -0.199 0.000 0.738 38 E HN 0.443 nan 8.360 nan 0.000 0.467 39 H N -1.593 117.396 119.070 -0.134 0.000 2.465 39 H HA 0.060 4.614 4.556 -0.002 0.000 0.289 39 H C 2.202 177.588 175.328 0.097 0.000 1.022 39 H CA 0.860 56.820 56.048 -0.147 0.000 1.340 39 H CB -0.351 29.060 29.762 -0.585 0.000 1.437 39 H HN 0.187 nan 8.280 nan 0.000 0.539 40 C N 1.092 120.499 119.300 0.179 0.000 2.403 40 C HA -0.147 4.312 4.460 -0.001 0.000 0.277 40 C C 2.698 177.782 174.990 0.156 0.000 1.248 40 C CA 0.843 59.957 59.018 0.160 0.000 1.762 40 C CB -0.297 27.507 27.740 0.107 0.000 2.014 40 C HN 0.481 nan 8.230 nan 0.000 0.486 41 K N 1.078 121.556 120.400 0.129 0.000 2.020 41 K HA -0.171 4.149 4.320 -0.001 0.000 0.212 41 K C 1.521 178.203 176.600 0.137 0.000 1.050 41 K CA 1.955 58.308 56.287 0.108 0.000 0.929 41 K CB -0.667 31.881 32.500 0.079 0.000 0.714 41 K HN 0.475 nan 8.250 nan 0.000 0.443 42 D N 0.512 121.035 120.400 0.205 0.000 2.117 42 D HA -0.110 4.530 4.640 -0.001 0.000 0.197 42 D C 2.095 178.522 176.300 0.211 0.000 0.987 42 D CA 0.781 54.920 54.000 0.231 0.000 0.829 42 D CB -0.220 40.828 40.800 0.414 0.000 0.961 42 D HN 0.243 nan 8.370 nan 0.000 0.460 43 I N 1.137 121.884 120.570 0.295 0.000 2.127 43 I HA -0.208 3.961 4.170 -0.001 0.000 0.241 43 I C 2.574 178.767 176.117 0.127 0.000 1.075 43 I CA 1.434 62.870 61.300 0.226 0.000 1.334 43 I CB -0.688 37.465 38.000 0.255 0.000 1.040 43 I HN 0.035 nan 8.210 nan 0.000 0.405 44 G N 0.502 109.371 108.800 0.115 0.000 2.553 44 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.218 44 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.218 44 G C 1.707 176.642 174.900 0.058 0.000 1.195 44 G CA 1.307 46.453 45.100 0.077 0.000 0.779 44 G HN 0.421 nan 8.290 nan 0.000 0.577 45 S N 1.030 116.765 115.700 0.060 0.000 2.399 45 S HA 0.020 4.490 4.470 -0.001 0.000 0.231 45 S C 2.590 177.203 174.600 0.022 0.000 1.022 45 S CA 1.275 59.498 58.200 0.038 0.000 0.983 45 S CB -0.249 62.973 63.200 0.037 0.000 0.803 45 S HN 0.653 nan 8.310 nan 0.000 0.480 46 A N 1.029 123.863 122.820 0.023 0.000 1.984 46 A HA 0.281 4.600 4.320 -0.001 0.000 0.214 46 A C 1.983 179.572 177.584 0.009 0.000 1.173 46 A CA 0.413 52.448 52.037 -0.004 0.000 0.673 46 A CB -0.401 18.575 19.000 -0.039 0.000 0.830 46 A HN 0.431 nan 8.150 nan 0.000 0.453 47 L N 0.001 121.241 121.223 0.028 0.000 2.217 47 L HA -0.147 4.193 4.340 -0.001 0.000 0.211 47 L C 2.707 179.588 176.870 0.018 0.000 1.107 47 L CA 1.403 56.260 54.840 0.028 0.000 0.783 47 L CB -0.489 41.594 42.059 0.039 0.000 0.919 47 L HN 0.557 nan 8.230 nan 0.000 0.442 48 R N 0.799 121.309 120.500 0.016 0.000 2.189 48 R HA -0.010 4.330 4.340 -0.001 0.000 0.223 48 R C 1.808 178.110 176.300 0.004 0.000 1.092 48 R CA 1.083 57.190 56.100 0.010 0.000 0.989 48 R CB -0.416 29.891 30.300 0.012 0.000 0.876 48 R HN 0.187 nan 8.270 nan 0.000 0.457 49 A N 1.191 124.011 122.820 0.000 0.000 2.307 49 A HA 0.064 4.383 4.320 -0.001 0.000 0.218 49 A C 0.258 177.836 177.584 -0.011 0.000 1.228 49 A CA -0.297 51.735 52.037 -0.007 0.000 0.857 49 A CB -0.106 18.887 19.000 -0.013 0.000 0.897 49 A HN 0.236 nan 8.150 nan 0.000 0.495 50 N N 1.221 119.918 118.700 -0.004 0.000 2.589 50 N HA 0.206 4.946 4.740 -0.001 0.000 0.232 50 N C -2.198 173.310 175.510 -0.004 0.000 1.015 50 N CA -1.791 51.256 53.050 -0.005 0.000 0.931 50 N CB 1.453 39.944 38.487 0.007 0.000 1.150 50 N HN 0.103 nan 8.380 nan 0.000 0.512 51 P HA 0.048 nan 4.420 nan 0.000 0.245 51 P C -0.239 177.057 177.300 -0.007 0.000 1.212 51 P CA 0.402 63.496 63.100 -0.009 0.000 0.774 51 P CB 0.181 31.873 31.700 -0.014 0.000 0.999 52 S N -1.871 113.826 115.700 -0.005 0.000 3.082 52 S HA 0.228 4.698 4.470 -0.001 0.000 0.253 52 S C -0.059 174.548 174.600 0.012 0.000 0.961 52 S CA -0.593 57.606 58.200 -0.001 0.000 1.129 52 S CB -0.862 62.332 63.200 -0.010 0.000 1.083 52 S HN -0.002 nan 8.310 nan 0.000 0.605 53 L N 3.326 124.559 121.223 0.017 0.000 2.319 53 L HA 0.465 4.804 4.340 -0.001 0.000 0.280 53 L C 1.239 178.120 176.870 0.018 0.000 1.099 53 L CA 0.607 55.463 54.840 0.027 0.000 0.828 53 L CB 1.117 43.193 42.059 0.029 0.000 1.150 53 L HN 0.453 nan 8.230 nan 0.000 0.442 54 T N 0.106 114.672 114.554 0.020 0.000 2.990 54 T HA 0.211 4.560 4.350 -0.001 0.000 0.249 54 T C 0.030 174.732 174.700 0.002 0.000 1.039 54 T CA 0.135 62.242 62.100 0.010 0.000 1.036 54 T CB -0.063 68.812 68.868 0.011 0.000 0.994 54 T HN 0.653 nan 8.240 nan 0.000 0.489 55 E N 0.671 120.875 120.200 0.007 0.000 2.321 55 E HA 0.607 4.957 4.350 -0.001 0.000 0.281 55 E C -1.876 174.725 176.600 0.002 0.000 0.910 55 E CA -1.176 55.220 56.400 -0.007 0.000 0.770 55 E CB 1.947 31.636 29.700 -0.018 0.000 1.225 55 E HN 0.158 nan 8.360 nan 0.000 0.417 56 L N 2.236 123.455 121.223 -0.006 0.000 2.346 56 L HA 0.732 5.072 4.340 -0.001 0.000 0.274 56 L C -1.637 175.230 176.870 -0.006 0.000 1.007 56 L CA -0.479 54.366 54.840 0.007 0.000 0.818 56 L CB 2.082 44.151 42.059 0.017 0.000 1.284 56 L HN 0.891 nan 8.230 nan 0.000 0.424 57 C N 6.495 125.800 119.300 0.007 0.000 2.571 57 C HA 0.482 4.942 4.460 -0.001 0.000 0.343 57 C C -0.356 174.647 174.990 0.022 0.000 1.082 57 C CA -0.722 58.300 59.018 0.006 0.000 1.339 57 C CB -0.023 27.717 27.740 0.001 0.000 1.893 57 C HN 0.858 nan 8.230 nan 0.000 0.445 58 L N 6.247 127.486 121.223 0.026 0.000 3.048 58 L HA 0.364 4.704 4.340 -0.001 0.000 0.234 58 L C 0.966 177.850 176.870 0.023 0.000 1.318 58 L CA -0.136 54.721 54.840 0.028 0.000 1.109 58 L CB -0.489 41.589 42.059 0.031 0.000 1.480 58 L HN 0.677 nan 8.230 nan 0.000 0.495 59 R N 0.022 120.538 120.500 0.025 0.000 2.756 59 R HA 0.095 4.435 4.340 -0.001 0.000 0.264 59 R C 0.336 176.647 176.300 0.018 0.000 1.026 59 R CA 0.095 56.210 56.100 0.026 0.000 1.121 59 R CB 0.033 30.347 30.300 0.022 0.000 0.999 59 R HN 0.238 nan 8.270 nan 0.000 0.449 60 T N 2.710 117.273 114.554 0.014 0.000 2.286 60 T HA -0.174 4.176 4.350 -0.001 0.000 0.529 60 T C -0.769 173.924 174.700 -0.011 0.000 0.839 60 T CA 0.655 62.758 62.100 0.005 0.000 2.802 60 T CB -1.093 67.786 68.868 0.018 0.000 1.699 60 T HN 0.690 nan 8.240 nan 0.000 0.428 61 N N 1.287 119.974 118.700 -0.021 0.000 2.555 61 N HA 0.175 4.915 4.740 -0.001 0.000 0.265 61 N C -0.791 174.698 175.510 -0.036 0.000 1.135 61 N CA -0.737 52.285 53.050 -0.045 0.000 0.925 61 N CB 1.781 40.233 38.487 -0.059 0.000 1.662 61 N HN 0.620 nan 8.380 nan 0.000 0.489 62 E N 2.404 122.578 120.200 -0.045 0.000 2.028 62 E HA 0.215 4.565 4.350 -0.001 0.000 0.275 62 E C 0.703 177.289 176.600 -0.023 0.000 1.171 62 E CA -0.070 56.313 56.400 -0.028 0.000 1.186 62 E CB -0.204 29.479 29.700 -0.028 0.000 1.256 62 E HN 0.465 nan 8.360 nan 0.000 0.474 63 L N 1.669 122.884 121.223 -0.013 0.000 2.049 63 L HA 0.249 4.589 4.340 -0.001 0.000 0.203 63 L C 1.306 178.184 176.870 0.014 0.000 1.074 63 L CA 0.658 55.499 54.840 0.001 0.000 0.749 63 L CB -0.651 41.415 42.059 0.012 0.000 0.907 63 L HN 0.581 nan 8.230 nan 0.000 0.439 64 G N 0.132 108.941 108.800 0.016 0.000 2.707 64 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.686 64 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.686 64 G C -0.369 174.551 174.900 0.033 0.000 1.315 64 G CA -0.098 45.013 45.100 0.019 0.000 0.832 64 G HN 0.267 nan 8.290 nan 0.000 0.573 65 D N 0.313 120.733 120.400 0.034 0.000 2.116 65 D HA 0.047 4.686 4.640 -0.001 0.000 0.193 65 D C 2.786 179.130 176.300 0.075 0.000 0.998 65 D CA 2.967 56.998 54.000 0.052 0.000 0.836 65 D CB -0.177 40.646 40.800 0.038 0.000 0.951 65 D HN 0.993 nan 8.370 nan 0.000 0.449 66 A N 0.632 123.477 122.820 0.041 0.000 1.902 66 A HA 0.014 4.334 4.320 -0.001 0.000 0.217 66 A C 2.369 180.001 177.584 0.080 0.000 1.181 66 A CA 1.933 53.991 52.037 0.034 0.000 0.623 66 A CB -1.282 17.715 19.000 -0.005 0.000 0.818 66 A HN 0.310 nan 8.150 nan 0.000 0.443 67 G N -0.400 108.438 108.800 0.063 0.000 2.433 67 G HA2 -0.130 3.830 3.960 -0.001 0.000 0.216 67 G HA3 -0.130 3.830 3.960 -0.001 0.000 0.216 67 G C 1.542 176.493 174.900 0.086 0.000 1.186 67 G CA 1.290 46.431 45.100 0.069 0.000 0.779 67 G HN 0.301 nan 8.290 nan 0.000 0.543 68 V N 0.702 120.663 119.914 0.079 0.000 2.252 68 V HA -0.301 3.819 4.120 -0.001 0.000 0.249 68 V C 2.410 178.558 176.094 0.090 0.000 1.056 68 V CA 2.613 64.956 62.300 0.072 0.000 1.022 68 V CB -0.922 30.939 31.823 0.062 0.000 0.641 68 V HN 0.641 nan 8.190 nan 0.000 0.445 69 H N -0.436 118.646 119.070 0.021 0.000 2.357 69 H HA -0.210 4.346 4.556 -0.001 0.000 0.296 69 H C 2.110 177.452 175.328 0.024 0.000 1.108 69 H CA 2.287 58.347 56.048 0.020 0.000 1.273 69 H CB -0.121 29.652 29.762 0.017 0.000 1.367 69 H HN 0.325 nan 8.280 nan 0.000 0.498 70 L N -0.925 120.419 121.223 0.201 0.000 2.027 70 L HA -0.168 4.172 4.340 -0.001 0.000 0.206 70 L C 2.612 179.525 176.870 0.071 0.000 1.074 70 L CA 1.067 55.991 54.840 0.140 0.000 0.745 70 L CB -0.583 41.550 42.059 0.122 0.000 0.898 70 L HN 0.231 nan 8.230 nan 0.000 0.433 71 V N 0.614 120.567 119.914 0.066 0.000 2.282 71 V HA -0.325 3.795 4.120 -0.001 0.000 0.249 71 V C 2.462 178.565 176.094 0.015 0.000 1.057 71 V CA 1.899 64.228 62.300 0.049 0.000 1.032 71 V CB -0.313 31.540 31.823 0.050 0.000 0.645 71 V HN 0.355 nan 8.190 nan 0.000 0.447 72 L N -0.916 120.295 121.223 -0.019 0.000 2.191 72 L HA -0.220 4.119 4.340 -0.001 0.000 0.212 72 L C 2.578 179.408 176.870 -0.067 0.000 1.103 72 L CA 1.428 56.235 54.840 -0.055 0.000 0.769 72 L CB -0.685 41.316 42.059 -0.097 0.000 0.908 72 L HN 0.429 nan 8.230 nan 0.000 0.438 73 Q N 0.069 119.828 119.800 -0.069 0.000 2.079 73 Q HA -0.125 4.215 4.340 -0.001 0.000 0.200 73 Q C 2.287 178.281 176.000 -0.009 0.000 0.974 73 Q CA 1.474 57.250 55.803 -0.045 0.000 0.840 73 Q CB -0.339 28.394 28.738 -0.008 0.000 0.898 73 Q HN 0.596 nan 8.270 nan 0.000 0.430 74 G N 0.432 109.238 108.800 0.010 0.000 2.559 74 G HA2 -0.134 3.826 3.960 -0.001 0.000 0.216 74 G HA3 -0.134 3.826 3.960 -0.001 0.000 0.216 74 G C 1.258 176.164 174.900 0.011 0.000 1.126 74 G CA 0.301 45.412 45.100 0.018 0.000 0.778 74 G HN 0.162 nan 8.290 nan 0.000 0.543 75 L N -0.691 120.533 121.223 0.001 0.000 2.416 75 L HA 0.144 4.484 4.340 -0.001 0.000 0.216 75 L C 1.542 178.408 176.870 -0.007 0.000 1.098 75 L CA 0.187 55.026 54.840 -0.001 0.000 0.840 75 L CB 0.033 42.089 42.059 -0.006 0.000 0.981 75 L HN 0.174 nan 8.230 nan 0.000 0.462 76 Q N 1.520 121.312 119.800 -0.014 0.000 3.184 76 Q HA 0.093 4.433 4.340 -0.001 0.000 0.288 76 Q C 0.074 176.070 176.000 -0.007 0.000 1.412 76 Q CA -0.192 55.602 55.803 -0.015 0.000 0.991 76 Q CB 0.093 28.815 28.738 -0.026 0.000 1.688 76 Q HN 0.368 nan 8.270 nan 0.000 0.554 77 S N -1.442 114.256 115.700 -0.003 0.000 2.671 77 S HA 0.531 5.001 4.470 -0.001 0.000 0.299 77 S C -2.185 172.415 174.600 0.000 0.000 1.116 77 S CA -1.473 56.727 58.200 0.000 0.000 0.912 77 S CB 1.620 64.822 63.200 0.003 0.000 1.130 77 S HN -0.001 nan 8.310 nan 0.000 0.501 78 P HA 0.033 nan 4.420 nan 0.000 0.220 78 P C 0.808 178.109 177.300 0.001 0.000 1.148 78 P CA 1.135 64.236 63.100 0.001 0.000 0.803 78 P CB -0.172 31.529 31.700 0.001 0.000 0.782 79 T N -4.711 109.843 114.554 0.001 0.000 3.264 79 T HA 0.248 4.597 4.350 -0.001 0.000 0.257 79 T C 0.162 174.863 174.700 0.002 0.000 0.976 79 T CA -0.455 61.645 62.100 0.000 0.000 0.908 79 T CB -1.381 67.486 68.868 -0.002 0.000 1.082 79 T HN -0.072 nan 8.240 nan 0.000 0.567 80 C N 3.116 122.417 119.300 0.003 0.000 2.319 80 C HA 0.614 5.074 4.460 -0.001 0.000 0.335 80 C C 1.081 176.074 174.990 0.006 0.000 1.274 80 C CA -0.795 58.225 59.018 0.004 0.000 1.806 80 C CB 0.346 28.088 27.740 0.002 0.000 2.329 80 C HN 0.763 nan 8.230 nan 0.000 0.524 81 K N 4.207 124.611 120.400 0.006 0.000 2.734 81 K HA 0.254 4.574 4.320 -0.001 0.000 0.200 81 K C -0.015 176.589 176.600 0.008 0.000 1.120 81 K CA -0.287 56.005 56.287 0.009 0.000 1.067 81 K CB 0.316 32.820 32.500 0.007 0.000 0.771 81 K HN 0.689 nan 8.250 nan 0.000 0.481 82 I N 1.900 122.473 120.570 0.005 0.000 2.710 82 I HA -0.139 4.030 4.170 -0.001 0.000 0.286 82 I C 0.557 176.673 176.117 -0.001 0.000 1.181 82 I CA 0.544 61.845 61.300 0.001 0.000 1.430 82 I CB 0.937 38.935 38.000 -0.003 0.000 1.367 82 I HN 0.409 nan 8.210 nan 0.000 0.577 83 Q N 5.148 124.944 119.800 -0.007 0.000 2.511 83 Q HA 0.190 4.529 4.340 -0.001 0.000 0.236 83 Q C 0.068 176.049 176.000 -0.032 0.000 0.893 83 Q CA 0.150 55.947 55.803 -0.010 0.000 0.947 83 Q CB 0.479 29.214 28.738 -0.005 0.000 1.110 83 Q HN 0.475 nan 8.270 nan 0.000 0.591 84 K N 1.268 121.639 120.400 -0.048 0.000 2.244 84 K HA 0.416 4.735 4.320 -0.001 0.000 0.260 84 K C -1.796 174.743 176.600 -0.103 0.000 0.951 84 K CA -0.587 55.642 56.287 -0.097 0.000 0.826 84 K CB 1.366 33.804 32.500 -0.104 0.000 1.108 84 K HN -0.034 nan 8.250 nan 0.000 0.433 85 L N 2.646 123.782 121.223 -0.144 0.000 2.439 85 L HA 0.374 4.714 4.340 -0.001 0.000 0.270 85 L C -1.402 175.384 176.870 -0.140 0.000 0.972 85 L CA 0.004 54.782 54.840 -0.104 0.000 0.836 85 L CB 1.939 43.964 42.059 -0.057 0.000 1.255 85 L HN 0.544 nan 8.230 nan 0.000 0.404 86 S N 5.836 121.484 115.700 -0.087 0.000 2.640 86 S HA 0.572 5.042 4.470 -0.001 0.000 0.320 86 S C -0.274 174.344 174.600 0.030 0.000 1.097 86 S CA -0.519 57.668 58.200 -0.023 0.000 1.092 86 S CB 0.440 63.638 63.200 -0.003 0.000 0.988 86 S HN 0.706 nan 8.310 nan 0.000 0.470 87 L N 4.398 125.652 121.223 0.052 0.000 3.094 87 L HA 0.383 4.722 4.340 -0.001 0.000 0.254 87 L C 0.861 177.765 176.870 0.058 0.000 1.298 87 L CA -0.208 54.659 54.840 0.045 0.000 1.050 87 L CB 0.277 42.358 42.059 0.037 0.000 1.420 87 L HN 0.674 nan 8.230 nan 0.000 0.548 88 Q N 2.345 122.190 119.800 0.076 0.000 2.255 88 Q HA -0.063 4.276 4.340 -0.001 0.000 0.280 88 Q C 0.340 176.366 176.000 0.043 0.000 1.068 88 Q CA 0.494 56.340 55.803 0.072 0.000 0.911 88 Q CB 0.185 28.975 28.738 0.087 0.000 1.157 88 Q HN 0.424 nan 8.270 nan 0.000 0.380 89 N N 3.371 122.092 118.700 0.035 0.000 2.663 89 N HA -0.186 4.554 4.740 -0.001 0.000 0.263 89 N C -1.132 174.384 175.510 0.011 0.000 1.109 89 N CA 0.185 53.244 53.050 0.016 0.000 0.701 89 N CB -1.025 37.464 38.487 0.004 0.000 0.879 89 N HN 0.667 nan 8.380 nan 0.000 0.550 90 C N 0.873 120.182 119.300 0.016 0.000 3.365 90 C HA 0.239 4.699 4.460 -0.001 0.000 0.266 90 C C 1.232 176.229 174.990 0.012 0.000 1.631 90 C CA 0.316 59.341 59.018 0.011 0.000 1.789 90 C CB -0.936 26.815 27.740 0.018 0.000 3.088 90 C HN 0.708 nan 8.230 nan 0.000 0.547 91 S N 0.398 116.104 115.700 0.011 0.000 3.561 91 S HA -0.226 4.244 4.470 -0.001 0.000 0.318 91 S C -0.136 174.475 174.600 0.019 0.000 1.181 91 S CA 0.355 58.562 58.200 0.011 0.000 0.916 91 S CB -1.545 61.658 63.200 0.005 0.000 0.966 91 S HN 0.697 nan 8.310 nan 0.000 0.550 92 L N 2.666 123.904 121.223 0.025 0.000 2.433 92 L HA 0.447 4.787 4.340 -0.001 0.000 0.275 92 L C 0.517 177.404 176.870 0.028 0.000 1.128 92 L CA 1.090 55.948 54.840 0.030 0.000 0.875 92 L CB 0.375 42.455 42.059 0.034 0.000 1.171 92 L HN 0.227 nan 8.230 nan 0.000 0.463 93 T N 3.856 118.426 114.554 0.027 0.000 2.936 93 T HA 0.194 4.544 4.350 -0.001 0.000 0.282 93 T C 1.112 175.827 174.700 0.025 0.000 1.003 93 T CA 0.144 62.258 62.100 0.024 0.000 1.005 93 T CB 1.309 70.188 68.868 0.019 0.000 1.097 93 T HN 0.761 nan 8.240 nan 0.000 0.532 94 E N 0.821 121.034 120.200 0.022 0.000 2.171 94 E HA -0.201 4.149 4.350 -0.001 0.000 0.197 94 E C 2.069 178.683 176.600 0.024 0.000 0.997 94 E CA 1.387 57.800 56.400 0.022 0.000 0.810 94 E CB -0.277 29.434 29.700 0.018 0.000 0.738 94 E HN 0.574 nan 8.360 nan 0.000 0.467 95 A N 1.765 124.598 122.820 0.022 0.000 1.883 95 A HA -0.095 4.225 4.320 -0.001 0.000 0.217 95 A C 2.544 180.150 177.584 0.036 0.000 1.186 95 A CA 1.765 53.815 52.037 0.023 0.000 0.624 95 A CB -1.314 17.696 19.000 0.016 0.000 0.822 95 A HN 0.446 nan 8.150 nan 0.000 0.444 96 G N -1.918 106.907 108.800 0.043 0.000 2.744 96 G HA2 -0.030 3.930 3.960 -0.001 0.000 0.211 96 G HA3 -0.030 3.930 3.960 -0.001 0.000 0.211 96 G C 1.156 176.095 174.900 0.064 0.000 1.143 96 G CA 0.961 46.102 45.100 0.068 0.000 0.788 96 G HN 0.523 nan 8.290 nan 0.000 0.534 97 C N 0.535 119.862 119.300 0.045 0.000 2.500 97 C HA 0.182 4.642 4.460 -0.001 0.000 0.273 97 C C 2.949 177.959 174.990 0.033 0.000 1.428 97 C CA 0.145 59.184 59.018 0.035 0.000 1.766 97 C CB -0.751 27.005 27.740 0.027 0.000 1.817 97 C HN 0.487 nan 8.230 nan 0.000 0.543 98 G N 0.635 109.460 108.800 0.042 0.000 2.559 98 G HA2 -0.061 3.899 3.960 -0.001 0.000 0.216 98 G HA3 -0.061 3.899 3.960 -0.001 0.000 0.216 98 G C 1.456 176.380 174.900 0.040 0.000 1.126 98 G CA 1.199 46.322 45.100 0.039 0.000 0.778 98 G HN 0.442 nan 8.290 nan 0.000 0.543 99 V N 0.941 120.882 119.914 0.046 0.000 2.407 99 V HA -0.071 4.049 4.120 -0.001 0.000 0.245 99 V C 2.811 178.893 176.094 -0.020 0.000 1.041 99 V CA 0.984 63.289 62.300 0.007 0.000 1.040 99 V CB -0.611 31.195 31.823 -0.028 0.000 0.671 99 V HN 0.342 nan 8.190 nan 0.000 0.455 100 L N 0.138 121.355 121.223 -0.009 0.000 2.058 100 L HA -0.256 4.084 4.340 -0.001 0.000 0.226 100 L C 0.149 177.007 176.870 -0.019 0.000 1.089 100 L CA 2.319 57.151 54.840 -0.014 0.000 0.799 100 L CB -2.377 39.680 42.059 -0.002 0.000 0.900 100 L HN 0.359 nan 8.230 nan 0.000 0.442 101 P HA -0.122 nan 4.420 nan 0.000 0.215 101 P C 1.755 179.041 177.300 -0.023 0.000 1.157 101 P CA 1.661 64.752 63.100 -0.016 0.000 0.868 101 P CB 0.011 31.706 31.700 -0.008 0.000 0.788 102 S N -1.279 114.408 115.700 -0.021 0.000 2.423 102 S HA -0.100 4.370 4.470 -0.001 0.000 0.231 102 S C 1.777 176.354 174.600 -0.039 0.000 1.014 102 S CA 1.743 59.928 58.200 -0.026 0.000 0.965 102 S CB -1.302 61.885 63.200 -0.022 0.000 0.785 102 S HN 0.294 nan 8.310 nan 0.000 0.495 103 T N 2.809 117.335 114.554 -0.046 0.000 2.781 103 T HA 0.190 4.539 4.350 -0.001 0.000 0.252 103 T C 1.818 176.492 174.700 -0.044 0.000 1.039 103 T CA 0.520 62.589 62.100 -0.052 0.000 1.147 103 T CB -0.475 68.356 68.868 -0.060 0.000 0.865 103 T HN 0.190 nan 8.240 nan 0.000 0.423 104 L N 0.947 122.146 121.223 -0.041 0.000 2.043 104 L HA -0.184 4.155 4.340 -0.001 0.000 0.212 104 L C 2.935 179.768 176.870 -0.061 0.000 1.075 104 L CA 1.595 56.407 54.840 -0.047 0.000 0.752 104 L CB -0.543 41.491 42.059 -0.041 0.000 0.891 104 L HN 0.227 nan 8.230 nan 0.000 0.432 105 R N -0.174 120.294 120.500 -0.054 0.000 2.081 105 R HA -0.136 4.204 4.340 -0.001 0.000 0.235 105 R C 2.245 178.514 176.300 -0.052 0.000 1.131 105 R CA 1.735 57.801 56.100 -0.058 0.000 0.960 105 R CB -0.079 30.197 30.300 -0.040 0.000 0.856 105 R HN 0.208 nan 8.270 nan 0.000 0.436 106 S N 0.269 115.945 115.700 -0.041 0.000 2.474 106 S HA 0.038 4.507 4.470 -0.001 0.000 0.235 106 S C 0.468 175.051 174.600 -0.029 0.000 0.997 106 S CA 0.511 58.693 58.200 -0.031 0.000 0.949 106 S CB 0.097 63.279 63.200 -0.029 0.000 0.766 106 S HN 0.224 nan 8.310 nan 0.000 0.517 107 L N 2.539 123.740 121.223 -0.038 0.000 2.387 107 L HA 0.306 4.646 4.340 -0.001 0.000 0.259 107 L C -1.826 175.023 176.870 -0.035 0.000 1.050 107 L CA -1.347 53.477 54.840 -0.028 0.000 0.922 107 L CB 1.461 43.504 42.059 -0.026 0.000 1.280 107 L HN -0.068 nan 8.230 nan 0.000 0.449 108 P HA 0.001 nan 4.420 nan 0.000 0.249 108 P C 0.883 178.266 177.300 0.138 0.000 1.229 108 P CA 0.467 63.573 63.100 0.011 0.000 0.788 108 P CB 0.242 31.986 31.700 0.073 0.000 1.072 109 T N -2.123 112.473 114.554 0.071 0.000 3.081 109 T HA 0.102 4.451 4.350 -0.001 0.000 0.255 109 T C 0.794 175.524 174.700 0.050 0.000 1.113 109 T CA -0.281 61.859 62.100 0.065 0.000 1.082 109 T CB -0.403 68.484 68.868 0.032 0.000 0.939 109 T HN -0.061 nan 8.240 nan 0.000 0.506 110 L N 2.660 123.903 121.223 0.033 0.000 2.410 110 L HA 0.294 4.634 4.340 -0.001 0.000 0.273 110 L C 1.114 178.001 176.870 0.028 0.000 1.144 110 L CA -0.039 54.809 54.840 0.013 0.000 0.863 110 L CB 0.517 42.571 42.059 -0.009 0.000 1.140 110 L HN -0.108 nan 8.230 nan 0.000 0.463 111 R N 2.603 123.111 120.500 0.014 0.000 2.084 111 R HA 0.213 4.553 4.340 -0.001 0.000 0.209 111 R C -0.315 175.991 176.300 0.011 0.000 1.173 111 R CA 0.595 56.708 56.100 0.021 0.000 1.053 111 R CB -0.107 30.202 30.300 0.015 0.000 0.948 111 R HN 0.799 nan 8.270 nan 0.000 0.460 112 E N 1.063 121.255 120.200 -0.014 0.000 2.238 112 E HA 0.538 4.887 4.350 -0.001 0.000 0.267 112 E C -1.102 175.455 176.600 -0.072 0.000 0.887 112 E CA -0.889 55.501 56.400 -0.016 0.000 0.769 112 E CB 2.090 31.786 29.700 -0.008 0.000 1.187 112 E HN -0.128 nan 8.360 nan 0.000 0.416 113 L N 2.131 123.352 121.223 -0.003 0.000 2.408 113 L HA 0.426 4.766 4.340 -0.001 0.000 0.268 113 L C -1.801 175.186 176.870 0.195 0.000 0.986 113 L CA -0.597 54.243 54.840 -0.001 0.000 0.820 113 L CB 1.756 43.828 42.059 0.022 0.000 1.303 113 L HN 0.599 nan 8.230 nan 0.000 0.411 114 H N 6.565 125.640 119.070 0.009 0.000 2.638 114 H HA 0.501 5.057 4.556 -0.001 0.000 0.317 114 H C 0.026 175.364 175.328 0.017 0.000 1.006 114 H CA -0.595 55.460 56.048 0.013 0.000 1.222 114 H CB 1.693 31.462 29.762 0.013 0.000 1.419 114 H HN 0.627 nan 8.280 nan 0.000 0.489 115 L N 1.073 122.378 121.223 0.137 0.000 2.906 115 L HA 0.188 4.528 4.340 -0.001 0.000 0.255 115 L C 0.508 177.422 176.870 0.074 0.000 1.166 115 L CA -0.061 54.831 54.840 0.086 0.000 0.977 115 L CB 0.412 42.509 42.059 0.063 0.000 1.313 115 L HN 0.314 nan 8.230 nan 0.000 0.549 116 S N 0.336 116.079 115.700 0.072 0.000 2.549 116 S HA -0.111 4.358 4.470 -0.001 0.000 0.278 116 S C 0.470 175.123 174.600 0.089 0.000 1.344 116 S CA 0.337 58.583 58.200 0.077 0.000 1.025 116 S CB 0.169 63.402 63.200 0.054 0.000 0.851 116 S HN 0.476 nan 8.310 nan 0.000 0.530 117 D N 0.550 121.028 120.400 0.130 0.000 2.811 117 D HA -0.152 4.488 4.640 -0.001 0.000 0.231 117 D C -0.663 175.666 176.300 0.047 0.000 1.157 117 D CA 0.798 54.844 54.000 0.076 0.000 0.716 117 D CB -0.989 39.819 40.800 0.014 0.000 1.077 117 D HN 0.338 nan 8.370 nan 0.000 0.428 118 N N 0.170 118.907 118.700 0.061 0.000 2.399 118 N HA 0.226 4.965 4.740 -0.001 0.000 0.284 118 N C -2.655 172.884 175.510 0.047 0.000 1.025 118 N CA -1.352 51.725 53.050 0.044 0.000 0.885 118 N CB 2.003 40.516 38.487 0.044 0.000 1.339 118 N HN -0.126 nan 8.380 nan 0.000 0.487 119 P HA 0.107 nan 4.420 nan 0.000 0.235 119 P C 0.896 178.215 177.300 0.032 0.000 1.765 119 P CA -0.036 63.086 63.100 0.036 0.000 1.034 119 P CB -0.099 31.617 31.700 0.027 0.000 1.984 120 L N 0.368 121.612 121.223 0.035 0.000 2.141 120 L HA 0.042 4.382 4.340 -0.001 0.000 0.209 120 L C 1.453 178.338 176.870 0.025 0.000 1.094 120 L CA 1.065 55.923 54.840 0.029 0.000 0.763 120 L CB -1.250 40.827 42.059 0.030 0.000 0.908 120 L HN 0.376 nan 8.230 nan 0.000 0.437 121 G N 0.366 109.181 108.800 0.026 0.000 2.846 121 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.660 121 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.660 121 G C 0.072 174.982 174.900 0.017 0.000 1.464 121 G CA -0.086 45.026 45.100 0.021 0.000 0.891 121 G HN 0.271 nan 8.290 nan 0.000 0.552 122 D N 0.265 120.674 120.400 0.014 0.000 2.178 122 D HA -0.081 4.559 4.640 -0.001 0.000 0.201 122 D C 2.676 178.982 176.300 0.010 0.000 0.980 122 D CA 1.717 55.724 54.000 0.010 0.000 0.842 122 D CB -0.209 40.596 40.800 0.008 0.000 0.948 122 D HN 0.794 nan 8.370 nan 0.000 0.472 123 A N 1.330 124.157 122.820 0.011 0.000 1.902 123 A HA -0.033 4.286 4.320 -0.001 0.000 0.217 123 A C 2.433 180.025 177.584 0.013 0.000 1.181 123 A CA 1.931 53.975 52.037 0.011 0.000 0.623 123 A CB -0.989 18.018 19.000 0.012 0.000 0.818 123 A HN 0.308 nan 8.150 nan 0.000 0.443 124 G N -0.529 108.281 108.800 0.016 0.000 2.403 124 G HA2 -0.037 3.922 3.960 -0.001 0.000 0.216 124 G HA3 -0.037 3.922 3.960 -0.001 0.000 0.216 124 G C 1.478 176.388 174.900 0.016 0.000 1.154 124 G CA 1.058 46.168 45.100 0.018 0.000 0.784 124 G HN 0.451 nan 8.290 nan 0.000 0.538 125 L N 0.580 121.812 121.223 0.014 0.000 2.027 125 L HA 0.137 4.476 4.340 -0.001 0.000 0.206 125 L C 2.699 179.575 176.870 0.009 0.000 1.074 125 L CA 1.868 56.715 54.840 0.012 0.000 0.745 125 L CB -0.535 41.530 42.059 0.010 0.000 0.898 125 L HN 0.180 nan 8.230 nan 0.000 0.433 126 R N -0.640 119.865 120.500 0.008 0.000 2.153 126 R HA -0.221 4.119 4.340 -0.001 0.000 0.252 126 R C 2.164 178.468 176.300 0.006 0.000 1.158 126 R CA 2.194 58.298 56.100 0.006 0.000 0.975 126 R CB -0.387 29.917 30.300 0.006 0.000 0.871 126 R HN 0.473 nan 8.270 nan 0.000 0.450 127 L N -0.108 121.119 121.223 0.008 0.000 2.209 127 L HA -0.106 4.233 4.340 -0.001 0.000 0.207 127 L C 2.336 179.209 176.870 0.004 0.000 1.094 127 L CA 0.164 55.008 54.840 0.007 0.000 0.790 127 L CB -0.268 41.797 42.059 0.011 0.000 0.932 127 L HN 0.231 nan 8.230 nan 0.000 0.447 128 L N -0.376 120.851 121.223 0.006 0.000 2.083 128 L HA -0.199 4.141 4.340 -0.001 0.000 0.209 128 L C 2.480 179.350 176.870 0.000 0.000 1.083 128 L CA 1.763 56.606 54.840 0.005 0.000 0.752 128 L CB -0.429 41.635 42.059 0.010 0.000 0.899 128 L HN 0.247 nan 8.230 nan 0.000 0.433 129 C N -0.571 118.730 119.300 0.001 0.000 2.453 129 C HA -0.134 4.325 4.460 -0.001 0.000 0.277 129 C C 2.615 177.603 174.990 -0.004 0.000 1.262 129 C CA 0.851 59.868 59.018 -0.001 0.000 1.718 129 C CB -0.990 26.750 27.740 0.001 0.000 2.031 129 C HN 0.636 nan 8.230 nan 0.000 0.480 130 E N 0.729 120.927 120.200 -0.003 0.000 2.171 130 E HA -0.164 4.186 4.350 -0.001 0.000 0.197 130 E C 2.180 178.774 176.600 -0.010 0.000 0.997 130 E CA 1.406 57.803 56.400 -0.005 0.000 0.810 130 E CB -0.279 29.419 29.700 -0.002 0.000 0.738 130 E HN 0.697 nan 8.360 nan 0.000 0.467 131 G N 0.675 109.468 108.800 -0.011 0.000 2.404 131 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.214 131 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.214 131 G C 1.496 176.380 174.900 -0.026 0.000 1.189 131 G CA 0.393 45.482 45.100 -0.019 0.000 0.789 131 G HN 0.182 nan 8.290 nan 0.000 0.533 132 L N 0.157 121.368 121.223 -0.020 0.000 2.187 132 L HA -0.027 4.313 4.340 -0.001 0.000 0.213 132 L C 2.767 179.623 176.870 -0.023 0.000 1.100 132 L CA 0.399 55.225 54.840 -0.023 0.000 0.765 132 L CB -0.281 41.772 42.059 -0.011 0.000 0.904 132 L HN 0.171 nan 8.230 nan 0.000 0.437 133 L N -1.123 120.089 121.223 -0.017 0.000 2.093 133 L HA -0.132 4.208 4.340 -0.001 0.000 0.208 133 L C 1.243 178.102 176.870 -0.019 0.000 1.085 133 L CA 0.500 55.332 54.840 -0.013 0.000 0.755 133 L CB -0.436 41.618 42.059 -0.008 0.000 0.904 133 L HN 0.249 nan 8.230 nan 0.000 0.435 134 D N 1.160 121.544 120.400 -0.028 0.000 2.487 134 D HA -0.044 4.596 4.640 -0.001 0.000 0.243 134 D C -1.442 174.829 176.300 -0.048 0.000 1.154 134 D CA -1.057 52.923 54.000 -0.034 0.000 0.876 134 D CB 1.367 42.143 40.800 -0.041 0.000 1.161 134 D HN 0.025 nan 8.370 nan 0.000 0.478 135 P HA -0.163 nan 4.420 nan 0.000 0.223 135 P C 0.702 177.970 177.300 -0.053 0.000 1.144 135 P CA 1.073 64.165 63.100 -0.013 0.000 0.783 135 P CB 0.312 32.020 31.700 0.013 0.000 0.771 136 Q N -1.288 118.442 119.800 -0.116 0.000 2.451 136 Q HA 0.027 4.367 4.340 -0.001 0.000 0.206 136 Q C 0.974 176.636 176.000 -0.563 0.000 0.947 136 Q CA 0.120 55.787 55.803 -0.226 0.000 0.937 136 Q CB -0.215 28.457 28.738 -0.109 0.000 1.025 136 Q HN 0.231 nan 8.270 nan 0.000 0.511 137 C N 2.088 121.140 119.300 -0.414 0.000 2.281 137 C HA 0.223 4.683 4.460 -0.001 0.000 0.336 137 C C 0.048 174.826 174.990 -0.352 0.000 1.217 137 C CA -0.673 58.125 59.018 -0.366 0.000 1.730 137 C CB -0.366 27.281 27.740 -0.155 0.000 2.338 137 C HN 0.413 nan 8.230 nan 0.000 0.521 138 H N 5.585 124.653 119.070 -0.003 0.000 2.476 138 H HA 0.246 4.801 4.556 -0.001 0.000 0.256 138 H C -0.202 175.124 175.328 -0.003 0.000 1.321 138 H CA -0.484 55.562 56.048 -0.003 0.000 1.056 138 H CB 0.012 29.771 29.762 -0.004 0.000 1.643 138 H HN 0.559 nan 8.280 nan 0.000 0.541 139 L N 1.846 123.097 121.223 0.046 0.000 2.361 139 L HA 0.079 4.419 4.340 -0.001 0.000 0.278 139 L C 1.140 178.034 176.870 0.040 0.000 1.113 139 L CA 0.454 55.315 54.840 0.034 0.000 0.849 139 L CB 0.641 42.707 42.059 0.010 0.000 1.155 139 L HN 0.279 nan 8.230 nan 0.000 0.452 140 E N 3.296 123.520 120.200 0.039 0.000 2.201 140 E HA 0.094 4.443 4.350 -0.001 0.000 0.193 140 E C -0.259 176.358 176.600 0.029 0.000 0.957 140 E CA 0.413 56.832 56.400 0.032 0.000 0.858 140 E CB 0.416 30.132 29.700 0.028 0.000 0.816 140 E HN 0.493 nan 8.360 nan 0.000 0.475 141 K N 1.224 121.647 120.400 0.038 0.000 2.463 141 K HA 0.435 4.755 4.320 -0.001 0.000 0.255 141 K C -1.428 175.219 176.600 0.078 0.000 0.942 141 K CA -0.663 55.657 56.287 0.055 0.000 0.814 141 K CB 2.480 35.026 32.500 0.076 0.000 1.122 141 K HN -0.116 nan 8.250 nan 0.000 0.425 142 L N 2.506 123.767 121.223 0.063 0.000 2.372 142 L HA 0.297 4.636 4.340 -0.001 0.000 0.274 142 L C -1.234 175.665 176.870 0.048 0.000 0.988 142 L CA -0.103 54.778 54.840 0.070 0.000 0.833 142 L CB 1.737 43.819 42.059 0.038 0.000 1.236 142 L HN 0.548 nan 8.230 nan 0.000 0.410 143 Q N 5.822 125.664 119.800 0.069 0.000 2.348 143 Q HA 0.490 4.830 4.340 -0.001 0.000 0.265 143 Q C -0.722 175.278 176.000 -0.000 0.000 0.998 143 Q CA -0.290 55.495 55.803 -0.030 0.000 0.831 143 Q CB 1.835 30.433 28.738 -0.233 0.000 1.251 143 Q HN 0.708 nan 8.270 nan 0.000 0.456 144 L N 2.404 123.622 121.223 -0.008 0.000 3.168 144 L HA 0.322 4.661 4.340 -0.001 0.000 0.277 144 L C 0.096 176.966 176.870 0.000 0.000 1.308 144 L CA -0.120 54.725 54.840 0.008 0.000 0.976 144 L CB 0.634 42.698 42.059 0.009 0.000 1.383 144 L HN 0.560 nan 8.230 nan 0.000 0.572 145 E N 0.100 120.297 120.200 -0.005 0.000 2.398 145 E HA 0.011 4.361 4.350 -0.001 0.000 0.263 145 E C -0.492 176.159 176.600 0.085 0.000 1.046 145 E CA -0.273 56.113 56.400 -0.024 0.000 0.908 145 E CB 0.378 30.073 29.700 -0.008 0.000 0.963 145 E HN 0.161 nan 8.360 nan 0.000 0.431 146 Y N 0.824 121.129 120.300 0.008 0.000 3.001 146 Y HA -0.272 4.278 4.550 0.000 0.000 0.199 146 Y C 0.218 176.124 175.900 0.009 0.000 1.320 146 Y CA 0.110 58.216 58.100 0.011 0.000 0.974 146 Y CB -1.688 36.780 38.460 0.013 0.000 1.291 146 Y HN 0.458 nan 8.280 nan 0.000 0.465 147 C N 0.881 120.249 119.300 0.114 0.000 2.647 147 C HA 0.258 4.717 4.460 -0.001 0.000 0.296 147 C C 1.058 176.084 174.990 0.060 0.000 1.403 147 C CA -0.567 58.499 59.018 0.080 0.000 1.781 147 C CB -0.425 27.346 27.740 0.052 0.000 2.464 147 C HN 0.686 nan 8.230 nan 0.000 0.559 148 R N -0.083 120.460 120.500 0.071 0.000 3.847 148 R HA -0.189 4.150 4.340 -0.001 0.000 0.304 148 R C -0.009 176.310 176.300 0.031 0.000 1.203 148 R CA 0.620 56.751 56.100 0.051 0.000 0.835 148 R CB -2.500 27.827 30.300 0.046 0.000 1.253 148 R HN 0.570 nan 8.270 nan 0.000 0.516 149 L N -0.025 121.212 121.223 0.023 0.000 2.479 149 L HA 0.397 4.737 4.340 -0.001 0.000 0.248 149 L C 1.513 178.387 176.870 0.007 0.000 1.205 149 L CA 0.323 55.170 54.840 0.012 0.000 0.817 149 L CB 0.486 42.548 42.059 0.005 0.000 1.162 149 L HN 0.320 nan 8.230 nan 0.000 0.486 150 T N -4.194 110.361 114.554 0.003 0.000 2.645 150 T HA 0.446 4.795 4.350 -0.001 0.000 0.300 150 T C 0.588 175.286 174.700 -0.004 0.000 1.210 150 T CA -0.167 61.932 62.100 -0.001 0.000 1.034 150 T CB 1.069 69.939 68.868 0.003 0.000 1.537 150 T HN 0.481 nan 8.240 nan 0.000 0.492 151 A N 0.310 123.127 122.820 -0.005 0.000 1.986 151 A HA 0.153 4.473 4.320 -0.001 0.000 0.220 151 A C 2.553 180.134 177.584 -0.004 0.000 1.171 151 A CA 2.591 54.624 52.037 -0.006 0.000 0.640 151 A CB -1.668 17.328 19.000 -0.007 0.000 0.811 151 A HN 1.423 nan 8.150 nan 0.000 0.451 152 A N -0.561 122.258 122.820 -0.002 0.000 1.917 152 A HA -0.141 4.179 4.320 -0.001 0.000 0.219 152 A C 2.419 180.003 177.584 -0.001 0.000 1.182 152 A CA 2.182 54.218 52.037 -0.001 0.000 0.633 152 A CB -0.929 18.072 19.000 0.001 0.000 0.819 152 A HN 0.477 nan 8.150 nan 0.000 0.448 153 S N -0.966 114.734 115.700 -0.000 0.000 2.399 153 S HA -0.193 4.277 4.470 -0.001 0.000 0.231 153 S C 1.847 176.445 174.600 -0.003 0.000 1.022 153 S CA 1.310 59.510 58.200 -0.000 0.000 0.983 153 S CB -0.742 62.459 63.200 0.000 0.000 0.803 153 S HN 0.747 nan 8.310 nan 0.000 0.480 154 C N 1.294 120.591 119.300 -0.005 0.000 2.411 154 C HA -0.081 4.378 4.460 -0.001 0.000 0.279 154 C C 2.576 177.563 174.990 -0.005 0.000 1.288 154 C CA 0.605 59.619 59.018 -0.006 0.000 1.764 154 C CB -1.233 26.501 27.740 -0.009 0.000 1.974 154 C HN 0.655 nan 8.230 nan 0.000 0.498 155 E N 1.257 121.454 120.200 -0.004 0.000 2.028 155 E HA -0.142 4.208 4.350 -0.001 0.000 0.191 155 E C -0.447 176.152 176.600 -0.002 0.000 0.988 155 E CA 1.569 57.967 56.400 -0.003 0.000 0.799 155 E CB -0.565 29.134 29.700 -0.002 0.000 0.755 155 E HN 0.425 nan 8.360 nan 0.000 0.447 156 P HA -0.164 nan 4.420 nan 0.000 0.217 156 P C 1.476 178.775 177.300 -0.001 0.000 1.150 156 P CA 1.103 64.203 63.100 -0.001 0.000 0.832 156 P CB -0.025 31.675 31.700 0.001 0.000 0.787 157 L N -0.503 120.719 121.223 -0.002 0.000 2.046 157 L HA -0.177 4.163 4.340 -0.001 0.000 0.208 157 L C 2.695 179.563 176.870 -0.003 0.000 1.077 157 L CA 1.720 56.558 54.840 -0.002 0.000 0.747 157 L CB -1.014 41.043 42.059 -0.004 0.000 0.896 157 L HN -0.042 nan 8.230 nan 0.000 0.432 158 A N -0.966 121.852 122.820 -0.004 0.000 1.902 158 A HA -0.194 4.126 4.320 -0.001 0.000 0.217 158 A C 2.450 180.033 177.584 -0.002 0.000 1.181 158 A CA 2.061 54.096 52.037 -0.004 0.000 0.623 158 A CB -0.576 18.421 19.000 -0.004 0.000 0.818 158 A HN 0.411 nan 8.150 nan 0.000 0.443 159 S N -0.492 115.207 115.700 -0.002 0.000 2.382 159 S HA -0.112 4.358 4.470 -0.001 0.000 0.228 159 S C 1.875 176.475 174.600 -0.001 0.000 1.027 159 S CA 1.301 59.500 58.200 -0.001 0.000 0.991 159 S CB -0.431 62.768 63.200 -0.001 0.000 0.823 159 S HN 0.329 nan 8.310 nan 0.000 0.469 160 V N 1.831 121.745 119.914 -0.001 0.000 2.295 160 V HA -0.135 3.984 4.120 -0.001 0.000 0.246 160 V C 2.282 178.376 176.094 0.001 0.000 1.049 160 V CA 1.380 63.680 62.300 -0.000 0.000 1.024 160 V CB -0.597 31.226 31.823 -0.000 0.000 0.648 160 V HN 0.326 nan 8.190 nan 0.000 0.447 161 L N 0.329 121.552 121.223 0.000 0.000 2.013 161 L HA -0.191 4.149 4.340 -0.001 0.000 0.212 161 L C 2.639 179.510 176.870 0.001 0.000 1.073 161 L CA 2.011 56.851 54.840 0.000 0.000 0.753 161 L CB -0.848 41.210 42.059 -0.002 0.000 0.890 161 L HN 0.300 nan 8.230 nan 0.000 0.432 162 R N -1.227 119.273 120.500 0.000 0.000 2.090 162 R HA -0.027 4.313 4.340 -0.001 0.000 0.228 162 R C 2.125 178.426 176.300 0.002 0.000 1.110 162 R CA 1.121 57.221 56.100 0.001 0.000 0.973 162 R CB -0.559 29.741 30.300 -0.000 0.000 0.869 162 R HN 0.435 nan 8.270 nan 0.000 0.440 163 A N 0.949 123.771 122.820 0.003 0.000 1.855 163 A HA -0.058 4.262 4.320 -0.001 0.000 0.213 163 A C 1.572 179.161 177.584 0.008 0.000 1.195 163 A CA 1.094 53.134 52.037 0.004 0.000 0.610 163 A CB -0.558 18.444 19.000 0.003 0.000 0.837 163 A HN 0.292 nan 8.150 nan 0.000 0.444 164 T N -1.388 113.170 114.554 0.008 0.000 2.734 164 T HA 0.236 4.585 4.350 -0.001 0.000 0.314 164 T C 0.873 175.583 174.700 0.015 0.000 1.057 164 T CA 0.327 62.435 62.100 0.014 0.000 1.047 164 T CB 0.310 69.186 68.868 0.013 0.000 0.991 164 T HN 0.398 nan 8.240 nan 0.000 0.540 165 R N 0.636 121.150 120.500 0.023 0.000 2.539 165 R HA 0.333 4.673 4.340 -0.001 0.000 0.342 165 R C 1.662 177.975 176.300 0.021 0.000 0.941 165 R CA 0.307 56.419 56.100 0.019 0.000 1.146 165 R CB 0.293 30.604 30.300 0.019 0.000 1.541 165 R HN 0.582 nan 8.270 nan 0.000 0.525 166 A N 0.721 123.560 122.820 0.032 0.000 2.063 166 A HA 0.136 4.456 4.320 -0.001 0.000 0.211 166 A C 0.634 178.234 177.584 0.026 0.000 1.177 166 A CA -0.077 51.981 52.037 0.035 0.000 0.759 166 A CB 0.198 19.239 19.000 0.067 0.000 0.857 166 A HN 0.099 nan 8.150 nan 0.000 0.468 167 L N 0.808 122.045 121.223 0.022 0.000 2.628 167 L HA 0.051 4.391 4.340 -0.001 0.000 0.274 167 L C 0.875 177.751 176.870 0.009 0.000 1.209 167 L CA 0.572 55.421 54.840 0.016 0.000 0.930 167 L CB 0.325 42.391 42.059 0.012 0.000 1.183 167 L HN 0.105 nan 8.230 nan 0.000 0.492 168 K N 3.015 123.419 120.400 0.008 0.000 2.387 168 K HA 0.185 4.505 4.320 -0.001 0.000 0.197 168 K C 0.003 176.600 176.600 -0.006 0.000 1.127 168 K CA 0.391 56.678 56.287 -0.000 0.000 0.950 168 K CB 0.337 32.837 32.500 -0.000 0.000 1.017 168 K HN 0.712 nan 8.250 nan 0.000 0.519 169 E N 1.066 121.266 120.200 -0.001 0.000 2.199 169 E HA 0.348 4.698 4.350 -0.001 0.000 0.265 169 E C -1.574 175.023 176.600 -0.006 0.000 0.882 169 E CA -0.677 55.718 56.400 -0.008 0.000 0.759 169 E CB 1.164 30.861 29.700 -0.006 0.000 1.148 169 E HN -0.134 nan 8.360 nan 0.000 0.412 170 L N 3.893 125.106 121.223 -0.016 0.000 2.376 170 L HA 0.530 4.869 4.340 -0.001 0.000 0.275 170 L C -1.445 175.409 176.870 -0.027 0.000 0.987 170 L CA -0.091 54.740 54.840 -0.015 0.000 0.828 170 L CB 2.148 44.199 42.059 -0.013 0.000 1.249 170 L HN 0.566 nan 8.230 nan 0.000 0.409 171 T N 4.611 119.147 114.554 -0.030 0.000 2.847 171 T HA 0.485 4.835 4.350 -0.001 0.000 0.291 171 T C 0.090 174.765 174.700 -0.042 0.000 0.998 171 T CA -0.221 61.853 62.100 -0.043 0.000 0.967 171 T CB 1.343 70.174 68.868 -0.062 0.000 0.954 171 T HN 0.545 nan 8.240 nan 0.000 0.441 172 V N 0.211 120.098 119.914 -0.045 0.000 2.925 172 V HA 0.435 4.555 4.120 -0.001 0.000 0.361 172 V C 0.405 176.454 176.094 -0.075 0.000 1.361 172 V CA -0.650 61.621 62.300 -0.049 0.000 1.184 172 V CB -0.202 31.599 31.823 -0.036 0.000 1.245 172 V HN 0.657 nan 8.190 nan 0.000 0.575 173 S N 2.223 117.868 115.700 -0.090 0.000 2.576 173 S HA 0.223 4.693 4.470 -0.001 0.000 0.272 173 S C 0.909 175.363 174.600 -0.244 0.000 1.352 173 S CA 0.491 58.614 58.200 -0.128 0.000 1.021 173 S CB -0.051 63.092 63.200 -0.096 0.000 0.887 173 S HN 0.842 nan 8.310 nan 0.000 0.542 174 N N 1.361 119.882 118.700 -0.297 0.000 2.735 174 N HA -0.175 4.565 4.740 -0.001 0.000 0.248 174 N C -1.153 174.194 175.510 -0.272 0.000 1.083 174 N CA 0.615 53.387 53.050 -0.463 0.000 0.703 174 N CB -1.231 36.456 38.487 -1.332 0.000 1.005 174 N HN 0.533 nan 8.380 nan 0.000 0.550 175 N N 0.503 119.118 118.700 -0.142 0.000 2.258 175 N HA 0.149 4.888 4.740 -0.001 0.000 0.299 175 N C -0.884 174.597 175.510 -0.048 0.000 1.047 175 N CA -0.415 52.597 53.050 -0.063 0.000 0.814 175 N CB 1.565 40.024 38.487 -0.046 0.000 1.413 175 N HN 0.050 nan 8.380 nan 0.000 0.478 176 D N 1.995 122.381 120.400 -0.023 0.000 2.713 176 D HA 0.132 4.772 4.640 -0.001 0.000 0.229 176 D C 1.779 178.068 176.300 -0.019 0.000 1.136 176 D CA -0.251 53.736 54.000 -0.021 0.000 1.010 176 D CB -0.282 40.513 40.800 -0.009 0.000 1.084 176 D HN 0.563 nan 8.370 nan 0.000 0.495 177 I N -1.054 119.500 120.570 -0.025 0.000 2.756 177 I HA 0.190 4.359 4.170 -0.001 0.000 0.262 177 I C 1.213 177.318 176.117 -0.020 0.000 1.225 177 I CA 0.138 61.426 61.300 -0.021 0.000 1.472 177 I CB -0.782 37.204 38.000 -0.024 0.000 1.094 177 I HN 0.298 nan 8.210 nan 0.000 0.454 178 G N 1.979 110.765 108.800 -0.024 0.000 2.888 178 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.441 178 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.441 178 G C 0.374 175.261 174.900 -0.023 0.000 1.461 178 G CA 0.374 45.461 45.100 -0.022 0.000 0.897 178 G HN 0.606 nan 8.290 nan 0.000 0.547 179 E N 0.109 120.296 120.200 -0.022 0.000 2.058 179 E HA -0.122 4.228 4.350 -0.001 0.000 0.194 179 E C 2.864 179.454 176.600 -0.017 0.000 0.997 179 E CA 2.232 58.619 56.400 -0.021 0.000 0.801 179 E CB -0.359 29.329 29.700 -0.019 0.000 0.746 179 E HN 1.136 nan 8.360 nan 0.000 0.450 180 A N 0.782 123.593 122.820 -0.014 0.000 1.883 180 A HA -0.114 4.206 4.320 -0.001 0.000 0.217 180 A C 2.437 180.013 177.584 -0.012 0.000 1.186 180 A CA 1.923 53.953 52.037 -0.012 0.000 0.624 180 A CB -1.296 17.698 19.000 -0.010 0.000 0.822 180 A HN 0.481 nan 8.150 nan 0.000 0.444 181 G N -0.590 108.202 108.800 -0.013 0.000 2.433 181 G HA2 0.015 3.974 3.960 -0.001 0.000 0.216 181 G HA3 0.015 3.974 3.960 -0.001 0.000 0.216 181 G C 1.802 176.693 174.900 -0.015 0.000 1.186 181 G CA 1.530 46.622 45.100 -0.013 0.000 0.779 181 G HN 0.848 nan 8.290 nan 0.000 0.543 182 A N 0.854 123.663 122.820 -0.019 0.000 1.948 182 A HA -0.137 4.183 4.320 -0.001 0.000 0.220 182 A C 2.318 179.892 177.584 -0.017 0.000 1.177 182 A CA 2.172 54.197 52.037 -0.020 0.000 0.636 182 A CB -0.494 18.491 19.000 -0.025 0.000 0.815 182 A HN 0.418 nan 8.150 nan 0.000 0.449 183 R N -0.556 119.935 120.500 -0.015 0.000 2.096 183 R HA -0.081 4.259 4.340 -0.001 0.000 0.235 183 R C 1.805 178.099 176.300 -0.011 0.000 1.127 183 R CA 1.791 57.883 56.100 -0.013 0.000 0.968 183 R CB -0.421 29.872 30.300 -0.012 0.000 0.861 183 R HN 0.287 nan 8.270 nan 0.000 0.440 184 V N 1.002 120.910 119.914 -0.010 0.000 2.283 184 V HA -0.201 3.919 4.120 -0.001 0.000 0.243 184 V C 2.236 178.325 176.094 -0.009 0.000 1.039 184 V CA 1.488 63.783 62.300 -0.008 0.000 1.016 184 V CB -0.642 31.176 31.823 -0.008 0.000 0.650 184 V HN 0.333 nan 8.190 nan 0.000 0.449 185 L N 1.671 122.888 121.223 -0.010 0.000 1.990 185 L HA -0.121 4.218 4.340 -0.001 0.000 0.213 185 L C 2.332 179.196 176.870 -0.011 0.000 1.072 185 L CA 2.643 57.477 54.840 -0.011 0.000 0.755 185 L CB -1.492 40.559 42.059 -0.014 0.000 0.889 185 L HN 0.299 nan 8.230 nan 0.000 0.432 186 G N -1.962 106.830 108.800 -0.012 0.000 2.422 186 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.218 186 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.218 186 G C 1.500 176.395 174.900 -0.009 0.000 1.146 186 G CA 0.759 45.853 45.100 -0.011 0.000 0.769 186 G HN 0.463 nan 8.290 nan 0.000 0.547 187 Q N 0.280 120.075 119.800 -0.008 0.000 2.096 187 Q HA 0.009 4.349 4.340 -0.001 0.000 0.204 187 Q C 2.671 178.668 176.000 -0.006 0.000 0.982 187 Q CA 1.709 57.508 55.803 -0.007 0.000 0.850 187 Q CB -0.732 28.002 28.738 -0.006 0.000 0.901 187 Q HN 0.387 nan 8.270 nan 0.000 0.422 188 G N -0.416 108.380 108.800 -0.006 0.000 2.422 188 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.218 188 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.218 188 G C 1.313 176.210 174.900 -0.005 0.000 1.140 188 G CA 0.515 45.612 45.100 -0.005 0.000 0.775 188 G HN 0.319 nan 8.290 nan 0.000 0.545 189 L N 0.574 121.793 121.223 -0.006 0.000 2.056 189 L HA 0.034 4.374 4.340 -0.001 0.000 0.207 189 L C 3.363 180.230 176.870 -0.005 0.000 1.078 189 L CA 1.161 55.997 54.840 -0.006 0.000 0.749 189 L CB -0.284 41.770 42.059 -0.008 0.000 0.901 189 L HN 0.278 nan 8.230 nan 0.000 0.433 190 A N 0.534 123.351 122.820 -0.006 0.000 1.903 190 A HA -0.269 4.050 4.320 -0.001 0.000 0.219 190 A C 1.398 178.979 177.584 -0.004 0.000 1.191 190 A CA 2.262 54.296 52.037 -0.005 0.000 0.638 190 A CB -0.800 18.197 19.000 -0.005 0.000 0.823 190 A HN 0.635 nan 8.150 nan 0.000 0.451 191 D N -1.022 119.376 120.400 -0.003 0.000 2.587 191 D HA 0.298 4.937 4.640 -0.001 0.000 0.233 191 D C 0.375 176.674 176.300 -0.002 0.000 1.213 191 D CA 0.333 54.332 54.000 -0.003 0.000 0.827 191 D CB -0.364 40.434 40.800 -0.002 0.000 1.006 191 D HN 0.213 nan 8.370 nan 0.000 0.490 192 S N -0.789 114.910 115.700 -0.002 0.000 2.681 192 S HA 0.604 5.074 4.470 -0.001 0.000 0.270 192 S C 0.990 175.590 174.600 -0.000 0.000 1.209 192 S CA -0.078 58.121 58.200 -0.001 0.000 0.988 192 S CB 1.343 64.542 63.200 -0.002 0.000 1.006 192 S HN 0.243 nan 8.310 nan 0.000 0.558 193 A N 0.351 123.172 122.820 0.001 0.000 2.259 193 A HA 0.267 4.587 4.320 -0.001 0.000 0.213 193 A C 1.032 178.617 177.584 0.002 0.000 1.209 193 A CA 0.288 52.326 52.037 0.002 0.000 0.910 193 A CB -1.018 17.984 19.000 0.003 0.000 0.946 193 A HN 1.084 nan 8.150 nan 0.000 0.497 194 C N -0.259 119.043 119.300 0.003 0.000 2.539 194 C HA 0.637 5.097 4.460 -0.001 0.000 0.392 194 C C 0.111 175.101 174.990 -0.000 0.000 1.269 194 C CA -0.703 58.317 59.018 0.003 0.000 2.250 194 C CB -0.194 27.549 27.740 0.005 0.000 2.584 194 C HN 0.490 nan 8.230 nan 0.000 0.589 195 Q N 1.994 121.793 119.800 -0.001 0.000 2.844 195 Q HA 0.426 4.766 4.340 -0.001 0.000 0.235 195 Q C -0.169 175.827 176.000 -0.006 0.000 1.336 195 Q CA -0.073 55.727 55.803 -0.004 0.000 1.026 195 Q CB 0.165 28.900 28.738 -0.005 0.000 1.513 195 Q HN 0.730 nan 8.270 nan 0.000 0.577 196 L N 1.256 122.475 121.223 -0.006 0.000 2.506 196 L HA -0.084 4.256 4.340 -0.001 0.000 0.281 196 L C 0.767 177.629 176.870 -0.014 0.000 1.228 196 L CA 1.340 56.175 54.840 -0.009 0.000 0.850 196 L CB 0.616 42.669 42.059 -0.010 0.000 1.110 196 L HN 0.596 nan 8.230 nan 0.000 0.496 197 E N 0.593 120.782 120.200 -0.018 0.000 2.406 197 E HA 0.154 4.504 4.350 -0.001 0.000 0.204 197 E C -0.395 176.183 176.600 -0.036 0.000 0.820 197 E CA 0.204 56.589 56.400 -0.025 0.000 1.136 197 E CB 0.701 30.386 29.700 -0.024 0.000 1.129 197 E HN 0.630 nan 8.360 nan 0.000 0.530 198 T N 1.715 116.246 114.554 -0.038 0.000 2.809 198 T HA 0.473 4.823 4.350 -0.001 0.000 0.284 198 T C -1.321 173.351 174.700 -0.045 0.000 0.992 198 T CA -0.464 61.603 62.100 -0.054 0.000 0.957 198 T CB 1.506 70.335 68.868 -0.065 0.000 0.942 198 T HN -0.092 nan 8.240 nan 0.000 0.439 199 L N 4.455 125.650 121.223 -0.047 0.000 2.406 199 L HA 0.583 4.923 4.340 -0.001 0.000 0.270 199 L C -0.823 176.025 176.870 -0.037 0.000 0.982 199 L CA -0.482 54.337 54.840 -0.036 0.000 0.843 199 L CB 1.022 43.066 42.059 -0.026 0.000 1.225 199 L HN 0.512 nan 8.230 nan 0.000 0.412 200 R N 6.211 126.688 120.500 -0.037 0.000 2.310 200 R HA 0.561 4.901 4.340 -0.001 0.000 0.324 200 R C -0.707 175.578 176.300 -0.025 0.000 0.955 200 R CA -0.493 55.590 56.100 -0.028 0.000 0.830 200 R CB 1.315 31.591 30.300 -0.039 0.000 1.154 200 R HN 0.641 nan 8.270 nan 0.000 0.458 201 L N 2.581 123.793 121.223 -0.018 0.000 3.096 201 L HA 0.273 4.613 4.340 -0.001 0.000 0.272 201 L C 0.233 177.075 176.870 -0.046 0.000 1.311 201 L CA -0.193 54.626 54.840 -0.035 0.000 0.943 201 L CB 0.443 42.480 42.059 -0.036 0.000 1.348 201 L HN 0.604 nan 8.230 nan 0.000 0.562 202 E N 1.355 121.537 120.200 -0.029 0.000 2.360 202 E HA -0.057 4.293 4.350 -0.001 0.000 0.269 202 E C 0.418 176.963 176.600 -0.092 0.000 1.022 202 E CA -0.256 56.121 56.400 -0.038 0.000 0.887 202 E CB 0.504 30.256 29.700 0.087 0.000 0.990 202 E HN 0.309 nan 8.360 nan 0.000 0.426 203 N N 2.994 121.611 118.700 -0.137 0.000 2.699 203 N HA -0.210 4.530 4.740 -0.001 0.000 0.256 203 N C -0.872 174.576 175.510 -0.103 0.000 0.993 203 N CA 0.739 53.714 53.050 -0.125 0.000 0.759 203 N CB -1.479 36.951 38.487 -0.095 0.000 0.906 203 N HN 0.461 nan 8.380 nan 0.000 0.541 204 C N -0.563 118.681 119.300 -0.093 0.000 2.884 204 C HA 0.570 5.029 4.460 -0.001 0.000 0.287 204 C C 1.626 176.580 174.990 -0.060 0.000 1.310 204 C CA -0.068 58.907 59.018 -0.073 0.000 1.725 204 C CB -0.814 26.887 27.740 -0.065 0.000 2.060 204 C HN 0.854 nan 8.230 nan 0.000 0.618 205 G N 1.858 110.618 108.800 -0.066 0.000 2.272 205 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.280 205 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.280 205 G C -0.048 174.821 174.900 -0.052 0.000 1.067 205 G CA -0.077 44.990 45.100 -0.055 0.000 0.902 205 G HN 0.579 nan 8.290 nan 0.000 0.500 206 L N 0.020 121.206 121.223 -0.062 0.000 2.472 206 L HA 0.662 5.002 4.340 -0.001 0.000 0.260 206 L C 1.301 178.141 176.870 -0.050 0.000 1.209 206 L CA 0.448 55.256 54.840 -0.053 0.000 0.817 206 L CB 0.921 42.945 42.059 -0.058 0.000 1.106 206 L HN 0.537 nan 8.230 nan 0.000 0.479 207 T N -2.974 111.555 114.554 -0.041 0.000 2.883 207 T HA 0.364 4.714 4.350 -0.001 0.000 0.296 207 T C -2.309 172.371 174.700 -0.032 0.000 1.117 207 T CA -1.749 60.329 62.100 -0.036 0.000 1.006 207 T CB 1.851 70.701 68.868 -0.029 0.000 1.191 207 T HN 0.209 nan 8.240 nan 0.000 0.508 208 P HA -0.145 nan 4.420 nan 0.000 0.217 208 P C 1.690 178.977 177.300 -0.021 0.000 1.151 208 P CA 1.942 65.027 63.100 -0.025 0.000 0.849 208 P CB -0.276 31.411 31.700 -0.021 0.000 0.787 209 A N -0.427 122.382 122.820 -0.019 0.000 1.908 209 A HA -0.285 4.034 4.320 -0.001 0.000 0.218 209 A C 2.003 179.577 177.584 -0.017 0.000 1.181 209 A CA 2.297 54.325 52.037 -0.016 0.000 0.627 209 A CB -1.830 17.160 19.000 -0.015 0.000 0.818 209 A HN 0.261 nan 8.150 nan 0.000 0.445 210 N N -0.866 117.822 118.700 -0.020 0.000 2.364 210 N HA -0.140 4.600 4.740 -0.001 0.000 0.183 210 N C 1.429 176.927 175.510 -0.019 0.000 1.022 210 N CA 1.237 54.275 53.050 -0.021 0.000 0.883 210 N CB -0.464 38.008 38.487 -0.026 0.000 0.965 210 N HN 0.531 nan 8.380 nan 0.000 0.438 211 C N 1.010 120.298 119.300 -0.020 0.000 2.432 211 C HA -0.013 4.446 4.460 -0.001 0.000 0.280 211 C C 2.341 177.323 174.990 -0.013 0.000 1.353 211 C CA 0.354 59.361 59.018 -0.017 0.000 1.766 211 C CB -0.660 27.069 27.740 -0.018 0.000 1.924 211 C HN 0.438 nan 8.230 nan 0.000 0.509 212 K N 0.774 121.167 120.400 -0.012 0.000 2.097 212 K HA -0.140 4.180 4.320 -0.001 0.000 0.206 212 K C 1.440 178.035 176.600 -0.009 0.000 1.049 212 K CA 1.389 57.670 56.287 -0.010 0.000 0.933 212 K CB -0.192 32.302 32.500 -0.010 0.000 0.717 212 K HN 0.633 nan 8.250 nan 0.000 0.442 213 D N 0.890 121.284 120.400 -0.011 0.000 2.144 213 D HA -0.083 4.556 4.640 -0.001 0.000 0.207 213 D C 2.088 178.382 176.300 -0.010 0.000 0.970 213 D CA 0.691 54.685 54.000 -0.010 0.000 0.853 213 D CB -0.245 40.548 40.800 -0.011 0.000 1.007 213 D HN 0.091 nan 8.370 nan 0.000 0.469 214 L N 1.109 122.325 121.223 -0.011 0.000 2.129 214 L HA -0.205 4.135 4.340 -0.001 0.000 0.212 214 L C 2.880 179.745 176.870 -0.008 0.000 1.087 214 L CA 0.794 55.628 54.840 -0.010 0.000 0.757 214 L CB -0.696 41.355 42.059 -0.012 0.000 0.896 214 L HN 0.228 nan 8.230 nan 0.000 0.434 215 C N 0.633 119.928 119.300 -0.007 0.000 2.398 215 C HA -0.158 4.302 4.460 -0.001 0.000 0.276 215 C C 2.895 177.882 174.990 -0.005 0.000 1.222 215 C CA 1.188 60.203 59.018 -0.005 0.000 1.746 215 C CB -1.189 26.547 27.740 -0.006 0.000 2.039 215 C HN 0.653 nan 8.230 nan 0.000 0.470 216 G N 0.091 108.888 108.800 -0.006 0.000 2.414 216 G HA2 -0.100 3.859 3.960 -0.001 0.000 0.215 216 G HA3 -0.100 3.859 3.960 -0.001 0.000 0.215 216 G C 1.391 176.288 174.900 -0.005 0.000 1.188 216 G CA 1.161 46.258 45.100 -0.005 0.000 0.783 216 G HN 0.471 nan 8.290 nan 0.000 0.537 217 I N 0.614 121.180 120.570 -0.006 0.000 2.118 217 I HA -0.172 3.998 4.170 -0.001 0.000 0.241 217 I C 2.930 179.044 176.117 -0.006 0.000 1.070 217 I CA 0.714 62.010 61.300 -0.006 0.000 1.327 217 I CB -0.758 37.238 38.000 -0.008 0.000 1.034 217 I HN 0.028 nan 8.210 nan 0.000 0.405 218 V N 0.786 120.697 119.914 -0.005 0.000 2.278 218 V HA -0.393 3.726 4.120 -0.001 0.000 0.251 218 V C 2.683 178.775 176.094 -0.003 0.000 1.062 218 V CA 2.169 64.466 62.300 -0.004 0.000 1.038 218 V CB -1.263 30.558 31.823 -0.002 0.000 0.646 218 V HN 0.563 nan 8.190 nan 0.000 0.447 219 A N 0.178 122.996 122.820 -0.003 0.000 1.917 219 A HA -0.229 4.091 4.320 -0.001 0.000 0.219 219 A C 2.359 179.941 177.584 -0.003 0.000 1.182 219 A CA 2.719 54.754 52.037 -0.003 0.000 0.633 219 A CB -0.536 18.462 19.000 -0.003 0.000 0.819 219 A HN 0.746 nan 8.150 nan 0.000 0.448 220 S N -2.323 113.375 115.700 -0.004 0.000 2.512 220 S HA 0.151 4.620 4.470 -0.001 0.000 0.216 220 S C 0.581 175.179 174.600 -0.005 0.000 1.006 220 S CA -0.298 57.900 58.200 -0.004 0.000 0.915 220 S CB 0.114 63.312 63.200 -0.004 0.000 0.824 220 S HN 0.364 nan 8.310 nan 0.000 0.497 221 Q N 1.871 121.667 119.800 -0.005 0.000 2.513 221 Q HA 0.473 4.813 4.340 -0.001 0.000 0.227 221 Q C 1.095 177.091 176.000 -0.007 0.000 1.257 221 Q CA 0.120 55.919 55.803 -0.006 0.000 0.915 221 Q CB 0.574 29.308 28.738 -0.008 0.000 1.507 221 Q HN 0.565 nan 8.270 nan 0.000 0.543 222 A N 2.015 124.831 122.820 -0.006 0.000 1.972 222 A HA -0.179 4.141 4.320 -0.001 0.000 0.219 222 A C 2.035 179.614 177.584 -0.008 0.000 1.169 222 A CA 1.821 53.854 52.037 -0.007 0.000 0.635 222 A CB -0.059 18.937 19.000 -0.006 0.000 0.810 222 A HN 0.639 nan 8.150 nan 0.000 0.446 223 S N -0.965 114.730 115.700 -0.009 0.000 2.453 223 S HA 0.100 4.570 4.470 -0.001 0.000 0.231 223 S C 0.645 175.237 174.600 -0.014 0.000 1.005 223 S CA -0.020 58.173 58.200 -0.011 0.000 0.949 223 S CB -0.653 62.541 63.200 -0.009 0.000 0.774 223 S HN 0.262 nan 8.310 nan 0.000 0.510 224 L N 2.404 123.619 121.223 -0.014 0.000 2.559 224 L HA 0.168 4.508 4.340 -0.001 0.000 0.282 224 L C 1.338 178.195 176.870 -0.022 0.000 1.232 224 L CA 0.490 55.319 54.840 -0.018 0.000 0.885 224 L CB 0.354 42.404 42.059 -0.015 0.000 1.131 224 L HN 0.130 nan 8.230 nan 0.000 0.498 225 R N 1.997 122.478 120.500 -0.031 0.000 2.573 225 R HA 0.296 4.635 4.340 -0.001 0.000 0.224 225 R C -0.544 175.724 176.300 -0.055 0.000 0.904 225 R CA 0.160 56.238 56.100 -0.038 0.000 0.995 225 R CB 0.457 30.734 30.300 -0.040 0.000 1.430 225 R HN 0.687 nan 8.270 nan 0.000 0.631 226 E N 1.068 121.227 120.200 -0.069 0.000 2.263 226 E HA 0.366 4.715 4.350 -0.001 0.000 0.268 226 E C -1.425 175.125 176.600 -0.082 0.000 0.884 226 E CA -0.798 55.538 56.400 -0.106 0.000 0.766 226 E CB 2.583 32.178 29.700 -0.175 0.000 1.196 226 E HN -0.197 nan 8.360 nan 0.000 0.416 227 L N 2.668 123.860 121.223 -0.052 0.000 2.372 227 L HA 0.436 4.776 4.340 -0.001 0.000 0.273 227 L C -1.383 175.507 176.870 0.033 0.000 0.989 227 L CA -0.417 54.415 54.840 -0.014 0.000 0.841 227 L CB 1.394 43.457 42.059 0.005 0.000 1.225 227 L HN 0.421 nan 8.230 nan 0.000 0.414 228 D N 4.808 125.223 120.400 0.025 0.000 2.232 228 D HA 0.404 5.044 4.640 -0.001 0.000 0.242 228 D C -0.010 176.344 176.300 0.089 0.000 1.093 228 D CA 0.023 54.099 54.000 0.127 0.000 0.845 228 D CB 1.399 42.246 40.800 0.078 0.000 1.124 228 D HN 0.715 nan 8.370 nan 0.000 0.467 229 L N 2.829 124.106 121.223 0.089 0.000 3.519 229 L HA 0.306 4.645 4.340 -0.001 0.000 0.323 229 L C 1.268 178.044 176.870 -0.158 0.000 1.289 229 L CA -0.547 54.277 54.840 -0.027 0.000 1.039 229 L CB 0.977 43.020 42.059 -0.026 0.000 1.438 229 L HN 0.358 nan 8.230 nan 0.000 0.619 230 G N -0.697 107.957 108.800 -0.242 0.000 2.744 230 G HA2 0.068 4.028 3.960 -0.001 0.000 0.257 230 G HA3 0.068 4.028 3.960 -0.001 0.000 0.257 230 G C 0.751 175.128 174.900 -0.872 0.000 1.244 230 G CA 0.487 45.045 45.100 -0.902 0.000 0.916 230 G HN 0.199 nan 8.290 nan 0.000 0.564 231 S N -0.665 114.285 115.700 -1.251 0.000 3.427 231 S HA -0.180 4.289 4.470 -0.001 0.000 0.373 231 S C 0.179 174.547 174.600 -0.387 0.000 0.973 231 S CA 0.943 58.685 58.200 -0.764 0.000 1.218 231 S CB -1.527 61.251 63.200 -0.703 0.000 0.912 231 S HN 0.709 nan 8.310 nan 0.000 0.483 232 N N 0.137 118.645 118.700 -0.319 0.000 2.225 232 N HA 0.444 5.184 4.740 -0.001 0.000 0.298 232 N C 0.074 175.492 175.510 -0.153 0.000 1.076 232 N CA -0.045 52.890 53.050 -0.192 0.000 0.792 232 N CB 1.809 40.200 38.487 -0.160 0.000 1.498 232 N HN 0.269 nan 8.380 nan 0.000 0.474 233 G N 1.582 110.318 108.800 -0.107 0.000 3.343 233 G HA2 0.286 4.246 3.960 -0.001 0.000 0.264 233 G HA3 0.286 4.246 3.960 -0.001 0.000 0.264 233 G C 1.143 176.004 174.900 -0.066 0.000 0.884 233 G CA -0.138 44.913 45.100 -0.081 0.000 1.916 233 G HN 0.506 nan 8.290 nan 0.000 0.618 234 L N 1.187 122.366 121.223 -0.072 0.000 2.162 234 L HA 0.268 4.608 4.340 -0.001 0.000 0.205 234 L C 1.764 178.609 176.870 -0.042 0.000 1.086 234 L CA 0.481 55.288 54.840 -0.054 0.000 0.778 234 L CB -1.002 41.024 42.059 -0.056 0.000 0.928 234 L HN 0.523 nan 8.230 nan 0.000 0.446 235 G N 0.853 109.627 108.800 -0.044 0.000 2.877 235 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.279 235 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.279 235 G C 0.054 174.939 174.900 -0.024 0.000 1.431 235 G CA -0.012 45.069 45.100 -0.031 0.000 0.883 235 G HN 0.252 nan 8.290 nan 0.000 0.547 236 D N 0.073 120.463 120.400 -0.017 0.000 2.182 236 D HA -0.077 4.563 4.640 -0.001 0.000 0.201 236 D C 2.738 179.031 176.300 -0.012 0.000 0.986 236 D CA 2.002 55.995 54.000 -0.012 0.000 0.847 236 D CB -0.540 40.255 40.800 -0.007 0.000 0.942 236 D HN 0.875 nan 8.370 nan 0.000 0.467 237 A N 1.326 124.138 122.820 -0.013 0.000 1.883 237 A HA -0.099 4.221 4.320 -0.001 0.000 0.217 237 A C 2.470 180.046 177.584 -0.014 0.000 1.186 237 A CA 2.300 54.330 52.037 -0.012 0.000 0.624 237 A CB -1.229 17.763 19.000 -0.013 0.000 0.822 237 A HN 0.321 nan 8.150 nan 0.000 0.444 238 G N -0.221 108.568 108.800 -0.018 0.000 2.418 238 G HA2 -0.141 3.819 3.960 -0.001 0.000 0.217 238 G HA3 -0.141 3.819 3.960 -0.001 0.000 0.217 238 G C 1.403 176.293 174.900 -0.016 0.000 1.158 238 G CA 1.049 46.137 45.100 -0.020 0.000 0.771 238 G HN 0.360 nan 8.290 nan 0.000 0.545 239 I N 1.973 122.534 120.570 -0.015 0.000 2.208 239 I HA -0.176 3.993 4.170 -0.001 0.000 0.245 239 I C 3.267 179.381 176.117 -0.006 0.000 1.097 239 I CA 1.264 62.558 61.300 -0.010 0.000 1.363 239 I CB -1.301 36.694 38.000 -0.008 0.000 1.051 239 I HN 0.268 nan 8.210 nan 0.000 0.413 240 A N 0.679 123.495 122.820 -0.006 0.000 1.908 240 A HA -0.197 4.123 4.320 -0.001 0.000 0.218 240 A C 2.160 179.741 177.584 -0.004 0.000 1.181 240 A CA 1.530 53.565 52.037 -0.004 0.000 0.627 240 A CB -0.430 18.567 19.000 -0.004 0.000 0.818 240 A HN 0.447 nan 8.150 nan 0.000 0.445 241 E N -0.461 119.736 120.200 -0.006 0.000 2.072 241 E HA -0.159 4.191 4.350 -0.001 0.000 0.191 241 E C 1.966 178.563 176.600 -0.005 0.000 0.985 241 E CA 0.968 57.364 56.400 -0.006 0.000 0.801 241 E CB -0.617 29.078 29.700 -0.009 0.000 0.750 241 E HN 0.485 nan 8.360 nan 0.000 0.452 242 L N 1.157 122.377 121.223 -0.006 0.000 2.083 242 L HA -0.162 4.177 4.340 -0.001 0.000 0.209 242 L C 2.445 179.315 176.870 -0.000 0.000 1.083 242 L CA 1.346 56.184 54.840 -0.004 0.000 0.752 242 L CB -0.546 41.510 42.059 -0.004 0.000 0.899 242 L HN 0.135 nan 8.230 nan 0.000 0.433 243 C N 0.237 119.537 119.300 0.001 0.000 2.393 243 C HA -0.152 4.308 4.460 -0.001 0.000 0.276 243 C C 0.152 175.143 174.990 0.003 0.000 1.215 243 C CA 1.258 60.278 59.018 0.003 0.000 1.743 243 C CB -2.054 25.688 27.740 0.003 0.000 2.044 243 C HN 0.471 nan 8.230 nan 0.000 0.464 244 P HA -0.064 nan 4.420 nan 0.000 0.219 244 P C 1.522 178.822 177.300 0.000 0.000 1.146 244 P CA 2.370 65.470 63.100 0.001 0.000 0.808 244 P CB -0.375 31.325 31.700 -0.001 0.000 0.779 245 G N 0.874 109.674 108.800 -0.000 0.000 2.418 245 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.217 245 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.217 245 G C 1.630 176.531 174.900 0.001 0.000 1.158 245 G CA 0.411 45.511 45.100 -0.000 0.000 0.771 245 G HN 0.246 nan 8.290 nan 0.000 0.545 246 L N 0.035 121.260 121.223 0.003 0.000 2.362 246 L HA 0.127 4.467 4.340 -0.001 0.000 0.219 246 L C 2.193 179.066 176.870 0.005 0.000 1.134 246 L CA 0.221 55.064 54.840 0.006 0.000 0.807 246 L CB -0.261 41.804 42.059 0.010 0.000 0.927 246 L HN 0.171 nan 8.230 nan 0.000 0.447 247 L N -1.004 120.222 121.223 0.004 0.000 2.591 247 L HA 0.086 4.426 4.340 -0.001 0.000 0.228 247 L C 1.317 178.188 176.870 0.001 0.000 1.133 247 L CA -0.240 54.602 54.840 0.003 0.000 0.880 247 L CB -0.092 41.968 42.059 0.003 0.000 1.033 247 L HN 0.084 nan 8.230 nan 0.000 0.450 248 S N 1.652 117.353 115.700 0.001 0.000 2.549 248 S HA 0.110 4.579 4.470 -0.001 0.000 0.286 248 S C -1.094 173.505 174.600 -0.001 0.000 1.314 248 S CA -1.135 57.065 58.200 -0.000 0.000 1.062 248 S CB 0.687 63.886 63.200 -0.001 0.000 0.865 248 S HN 0.073 nan 8.310 nan 0.000 0.498 249 P HA 0.054 nan 4.420 nan 0.000 0.239 249 P C 0.441 177.739 177.300 -0.002 0.000 1.184 249 P CA 0.551 63.650 63.100 -0.002 0.000 0.760 249 P CB -0.059 31.640 31.700 -0.002 0.000 0.884 250 A N -0.675 122.143 122.820 -0.002 0.000 2.252 250 A HA 0.144 4.464 4.320 -0.001 0.000 0.213 250 A C 1.305 178.887 177.584 -0.004 0.000 1.188 250 A CA 0.134 52.169 52.037 -0.003 0.000 0.863 250 A CB -0.272 18.726 19.000 -0.003 0.000 0.893 250 A HN 0.209 nan 8.150 nan 0.000 0.495 251 S N 0.837 116.536 115.700 -0.003 0.000 2.439 251 S HA 0.315 4.785 4.470 -0.001 0.000 0.282 251 S C 0.451 175.050 174.600 -0.003 0.000 1.170 251 S CA -0.574 57.624 58.200 -0.003 0.000 1.054 251 S CB 0.057 63.256 63.200 -0.001 0.000 0.956 251 S HN 0.348 nan 8.310 nan 0.000 0.490 252 R N 4.203 124.700 120.500 -0.005 0.000 2.609 252 R HA 0.217 4.557 4.340 -0.001 0.000 0.326 252 R C -0.008 176.288 176.300 -0.006 0.000 1.090 252 R CA -0.295 55.802 56.100 -0.006 0.000 1.072 252 R CB -0.381 29.914 30.300 -0.008 0.000 1.330 252 R HN 0.623 nan 8.270 nan 0.000 0.572 253 L N 2.046 123.267 121.223 -0.004 0.000 2.601 253 L HA -0.127 4.212 4.340 -0.001 0.000 0.277 253 L C 1.564 178.434 176.870 0.001 0.000 1.219 253 L CA 0.787 55.625 54.840 -0.003 0.000 0.915 253 L CB 0.575 42.637 42.059 0.005 0.000 1.160 253 L HN 0.156 nan 8.230 nan 0.000 0.494 254 K N 2.044 122.440 120.400 -0.007 0.000 2.262 254 K HA 0.105 4.424 4.320 -0.001 0.000 0.200 254 K C 0.095 176.698 176.600 0.006 0.000 1.058 254 K CA 0.343 56.628 56.287 -0.004 0.000 0.974 254 K CB 0.561 33.051 32.500 -0.018 0.000 0.910 254 K HN 0.579 nan 8.250 nan 0.000 0.484 255 T N 2.042 116.583 114.554 -0.022 0.000 2.786 255 T HA 0.407 4.756 4.350 -0.001 0.000 0.283 255 T C -1.514 173.211 174.700 0.041 0.000 0.992 255 T CA -0.610 61.475 62.100 -0.024 0.000 0.954 255 T CB 1.576 70.321 68.868 -0.205 0.000 0.934 255 T HN 0.077 nan 8.240 nan 0.000 0.440 256 L N 3.877 125.212 121.223 0.187 0.000 2.342 256 L HA 0.527 4.867 4.340 -0.001 0.000 0.276 256 L C -1.542 175.590 176.870 0.437 0.000 0.997 256 L CA -0.768 54.201 54.840 0.216 0.000 0.838 256 L CB 0.869 43.008 42.059 0.134 0.000 1.224 256 L HN 0.760 nan 8.230 nan 0.000 0.416 257 W N 7.742 129.032 121.300 -0.016 0.000 2.278 257 W HA 0.411 5.071 4.660 -0.001 0.000 0.317 257 W C -0.596 175.953 176.519 0.050 0.000 1.030 257 W CA -0.710 56.653 57.345 0.030 0.000 1.334 257 W CB 1.650 31.145 29.460 0.059 0.000 1.215 257 W HN 0.443 nan 8.180 nan 0.000 0.405 258 L N 6.713 127.988 121.223 0.087 0.000 3.186 258 L HA 0.188 4.527 4.340 -0.001 0.000 0.292 258 L C 0.394 177.228 176.870 -0.059 0.000 1.303 258 L CA -0.527 54.306 54.840 -0.012 0.000 0.940 258 L CB -0.293 41.764 42.059 -0.004 0.000 1.358 258 L HN 0.308 nan 8.230 nan 0.000 0.581 259 W N 0.030 121.220 121.300 -0.183 0.000 2.184 259 W HA 0.258 4.917 4.660 -0.000 0.000 0.338 259 W C 0.310 176.781 176.519 -0.079 0.000 1.257 259 W CA -0.688 56.556 57.345 -0.169 0.000 1.243 259 W CB 0.282 29.590 29.460 -0.252 0.000 1.122 259 W HN 0.273 nan 8.180 nan 0.000 0.585 260 E N 0.551 120.756 120.200 0.009 0.000 2.149 260 E HA -0.234 4.116 4.350 -0.001 0.000 0.191 260 E C 0.059 176.510 176.600 -0.248 0.000 1.384 260 E CA 0.331 56.661 56.400 -0.118 0.000 0.698 260 E CB -1.143 28.466 29.700 -0.151 0.000 1.086 260 E HN 0.500 nan 8.360 nan 0.000 0.338 261 C N 0.931 120.134 119.300 -0.162 0.000 2.863 261 C HA 0.081 4.541 4.460 -0.001 0.000 0.284 261 C C 0.326 175.262 174.990 -0.090 0.000 1.426 261 C CA -0.190 58.736 59.018 -0.153 0.000 1.782 261 C CB -0.401 27.254 27.740 -0.142 0.000 2.554 261 C HN 0.643 nan 8.230 nan 0.000 0.566 262 D N 1.459 121.818 120.400 -0.068 0.000 2.708 262 D HA -0.161 4.479 4.640 -0.001 0.000 0.236 262 D C -0.037 176.245 176.300 -0.031 0.000 1.146 262 D CA 0.896 54.871 54.000 -0.042 0.000 0.662 262 D CB -0.588 40.185 40.800 -0.044 0.000 1.059 262 D HN 0.506 nan 8.370 nan 0.000 0.428 263 I N -0.128 120.426 120.570 -0.025 0.000 2.664 263 I HA 0.350 4.520 4.170 -0.001 0.000 0.308 263 I C 1.291 177.405 176.117 -0.005 0.000 0.984 263 I CA -0.152 61.139 61.300 -0.016 0.000 1.213 263 I CB 1.849 39.840 38.000 -0.014 0.000 1.379 263 I HN 0.045 nan 8.210 nan 0.000 0.501 264 T N 0.176 114.729 114.554 -0.001 0.000 2.696 264 T HA 0.530 4.879 4.350 -0.001 0.000 0.291 264 T C 0.717 175.421 174.700 0.007 0.000 1.095 264 T CA -0.114 61.989 62.100 0.004 0.000 1.026 264 T CB 1.137 70.007 68.868 0.003 0.000 1.390 264 T HN 0.528 nan 8.240 nan 0.000 0.513 265 A N 0.984 123.810 122.820 0.011 0.000 1.917 265 A HA -0.055 4.265 4.320 -0.001 0.000 0.219 265 A C 2.459 180.049 177.584 0.009 0.000 1.182 265 A CA 2.771 54.816 52.037 0.013 0.000 0.633 265 A CB -1.768 17.241 19.000 0.015 0.000 0.819 265 A HN 0.917 nan 8.150 nan 0.000 0.448 266 S N -0.413 115.290 115.700 0.006 0.000 2.365 266 S HA -0.121 4.349 4.470 -0.001 0.000 0.225 266 S C 2.057 176.659 174.600 0.003 0.000 1.039 266 S CA 1.329 59.531 58.200 0.004 0.000 1.033 266 S CB -0.834 62.367 63.200 0.002 0.000 0.887 266 S HN 0.809 nan 8.310 nan 0.000 0.447 267 G N -0.027 108.774 108.800 0.002 0.000 2.402 267 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.216 267 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.216 267 G C 1.617 176.520 174.900 0.005 0.000 1.162 267 G CA 0.861 45.962 45.100 0.001 0.000 0.777 267 G HN 0.573 nan 8.290 nan 0.000 0.539 268 C N 0.166 119.471 119.300 0.008 0.000 2.403 268 C HA 0.012 4.471 4.460 -0.001 0.000 0.282 268 C C 2.832 177.830 174.990 0.012 0.000 1.297 268 C CA 1.116 60.141 59.018 0.013 0.000 1.785 268 C CB -0.946 26.804 27.740 0.017 0.000 1.963 268 C HN 0.525 nan 8.230 nan 0.000 0.507 269 R N 0.383 120.889 120.500 0.009 0.000 2.066 269 R HA -0.110 4.230 4.340 -0.001 0.000 0.232 269 R C 1.942 178.246 176.300 0.008 0.000 1.131 269 R CA 1.924 58.029 56.100 0.008 0.000 0.955 269 R CB -0.426 29.878 30.300 0.006 0.000 0.851 269 R HN 0.588 nan 8.270 nan 0.000 0.432 270 D N 0.678 121.082 120.400 0.006 0.000 2.123 270 D HA -0.192 4.448 4.640 -0.001 0.000 0.196 270 D C 2.028 178.334 176.300 0.009 0.000 0.992 270 D CA 1.113 55.117 54.000 0.006 0.000 0.833 270 D CB -0.110 40.692 40.800 0.003 0.000 0.954 270 D HN 0.287 nan 8.370 nan 0.000 0.455 271 L N 0.762 121.992 121.223 0.011 0.000 2.042 271 L HA -0.216 4.124 4.340 -0.001 0.000 0.210 271 L C 2.783 179.663 176.870 0.018 0.000 1.076 271 L CA 0.937 55.787 54.840 0.016 0.000 0.749 271 L CB -0.466 41.604 42.059 0.019 0.000 0.893 271 L HN 0.165 nan 8.230 nan 0.000 0.432 272 C N -0.488 118.822 119.300 0.017 0.000 2.411 272 C HA -0.160 4.300 4.460 -0.001 0.000 0.279 272 C C 2.842 177.841 174.990 0.015 0.000 1.288 272 C CA 0.572 59.601 59.018 0.017 0.000 1.764 272 C CB -1.152 26.597 27.740 0.015 0.000 1.974 272 C HN 0.448 nan 8.230 nan 0.000 0.498 273 R N 0.331 120.838 120.500 0.012 0.000 2.081 273 R HA -0.103 4.237 4.340 -0.001 0.000 0.235 273 R C 2.139 178.446 176.300 0.011 0.000 1.131 273 R CA 1.343 57.449 56.100 0.010 0.000 0.960 273 R CB -0.590 29.715 30.300 0.007 0.000 0.856 273 R HN 0.424 nan 8.270 nan 0.000 0.436 274 V N 1.405 121.326 119.914 0.013 0.000 2.295 274 V HA -0.229 3.891 4.120 -0.001 0.000 0.246 274 V C 2.213 178.317 176.094 0.017 0.000 1.049 274 V CA 1.453 63.761 62.300 0.014 0.000 1.024 274 V CB -0.444 31.389 31.823 0.016 0.000 0.648 274 V HN 0.203 nan 8.190 nan 0.000 0.447 275 L N -0.315 120.921 121.223 0.021 0.000 2.187 275 L HA -0.214 4.126 4.340 -0.001 0.000 0.213 275 L C 2.394 179.278 176.870 0.023 0.000 1.100 275 L CA 1.887 56.743 54.840 0.026 0.000 0.765 275 L CB -0.725 41.353 42.059 0.032 0.000 0.904 275 L HN 0.423 nan 8.230 nan 0.000 0.437 276 Q N -2.108 117.703 119.800 0.019 0.000 2.123 276 Q HA 0.029 4.369 4.340 -0.001 0.000 0.196 276 Q C 2.227 178.234 176.000 0.011 0.000 0.958 276 Q CA 1.141 56.955 55.803 0.017 0.000 0.841 276 Q CB -0.156 28.591 28.738 0.015 0.000 0.915 276 Q HN 0.561 nan 8.270 nan 0.000 0.455 277 A N 0.829 123.655 122.820 0.009 0.000 1.930 277 A HA -0.025 4.295 4.320 -0.001 0.000 0.215 277 A C 0.703 178.289 177.584 0.002 0.000 1.176 277 A CA 0.646 52.686 52.037 0.005 0.000 0.632 277 A CB 0.186 19.189 19.000 0.005 0.000 0.819 277 A HN -0.051 nan 8.150 nan 0.000 0.445 278 K N 1.770 122.172 120.400 0.004 0.000 2.250 278 K HA 0.087 4.407 4.320 -0.001 0.000 0.285 278 K C 0.771 177.367 176.600 -0.006 0.000 1.097 278 K CA -0.040 56.247 56.287 0.001 0.000 0.913 278 K CB 0.978 33.481 32.500 0.006 0.000 1.179 278 K HN 0.674 nan 8.250 nan 0.000 0.462 279 E N 2.185 122.376 120.200 -0.015 0.000 2.347 279 E HA -0.124 4.226 4.350 -0.001 0.000 0.196 279 E C 0.330 176.911 176.600 -0.032 0.000 1.008 279 E CA 1.197 57.578 56.400 -0.033 0.000 0.852 279 E CB 0.013 29.689 29.700 -0.040 0.000 0.783 279 E HN 0.446 nan 8.360 nan 0.000 0.505 280 T N 0.401 114.945 114.554 -0.017 0.000 2.937 280 T HA 0.016 4.365 4.350 -0.001 0.000 0.260 280 T C 1.156 175.855 174.700 -0.002 0.000 1.051 280 T CA -0.012 62.081 62.100 -0.012 0.000 1.141 280 T CB -0.432 68.431 68.868 -0.009 0.000 0.879 280 T HN 0.121 nan 8.240 nan 0.000 0.459 281 L N 2.392 123.619 121.223 0.007 0.000 2.584 281 L HA 0.138 4.478 4.340 -0.001 0.000 0.272 281 L C 0.820 177.708 176.870 0.029 0.000 1.195 281 L CA 0.539 55.392 54.840 0.023 0.000 0.920 281 L CB 0.159 42.236 42.059 0.030 0.000 1.173 281 L HN 0.021 nan 8.230 nan 0.000 0.489 282 K N 3.736 124.161 120.400 0.042 0.000 2.450 282 K HA 0.271 4.591 4.320 -0.001 0.000 0.206 282 K C -0.462 176.197 176.600 0.098 0.000 1.148 282 K CA 0.097 56.417 56.287 0.055 0.000 1.014 282 K CB 1.082 33.605 32.500 0.038 0.000 0.966 282 K HN 0.651 nan 8.250 nan 0.000 0.566 283 E N 1.264 121.537 120.200 0.121 0.000 2.263 283 E HA 0.351 4.701 4.350 -0.001 0.000 0.268 283 E C -1.763 174.988 176.600 0.251 0.000 0.884 283 E CA -0.643 55.880 56.400 0.206 0.000 0.766 283 E CB 2.332 32.161 29.700 0.215 0.000 1.196 283 E HN -0.134 nan 8.360 nan 0.000 0.416 284 L N 2.122 123.471 121.223 0.210 0.000 2.439 284 L HA 0.500 4.839 4.340 -0.001 0.000 0.270 284 L C -1.335 175.504 176.870 -0.050 0.000 0.972 284 L CA -0.252 54.660 54.840 0.121 0.000 0.836 284 L CB 2.082 44.197 42.059 0.093 0.000 1.255 284 L HN 0.442 nan 8.230 nan 0.000 0.404 285 S N 5.328 120.834 115.700 -0.323 0.000 2.449 285 S HA 0.626 5.096 4.470 -0.001 0.000 0.310 285 S C 0.000 174.446 174.600 -0.257 0.000 1.096 285 S CA -0.551 57.284 58.200 -0.608 0.000 1.095 285 S CB 0.794 62.903 63.200 -1.819 0.000 1.007 285 S HN 0.781 nan 8.310 nan 0.000 0.474 286 L N 3.460 124.636 121.223 -0.079 0.000 3.184 286 L HA 0.421 4.761 4.340 -0.001 0.000 0.283 286 L C 1.057 177.951 176.870 0.040 0.000 1.218 286 L CA -0.368 54.469 54.840 -0.006 0.000 1.028 286 L CB 0.114 42.184 42.059 0.018 0.000 1.400 286 L HN 0.792 nan 8.230 nan 0.000 0.591 287 A N -0.210 122.645 122.820 0.058 0.000 2.547 287 A HA 0.346 4.666 4.320 -0.001 0.000 0.233 287 A C 1.545 179.217 177.584 0.146 0.000 1.067 287 A CA 1.039 53.139 52.037 0.105 0.000 0.763 287 A CB -0.158 18.914 19.000 0.121 0.000 1.007 287 A HN 0.672 nan 8.150 nan 0.000 0.506 288 G N 0.894 109.768 108.800 0.123 0.000 2.220 288 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.269 288 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.269 288 G C 0.251 175.199 174.900 0.080 0.000 0.977 288 G CA 0.462 45.641 45.100 0.130 0.000 0.634 288 G HN 0.880 nan 8.290 nan 0.000 0.539 289 N N 0.314 119.049 118.700 0.058 0.000 2.518 289 N HA 0.421 5.161 4.740 -0.001 0.000 0.283 289 N C 0.162 175.688 175.510 0.027 0.000 1.119 289 N CA -0.255 52.813 53.050 0.029 0.000 0.983 289 N CB 1.060 39.557 38.487 0.018 0.000 1.139 289 N HN 0.035 nan 8.380 nan 0.000 0.465 290 K N 2.466 122.877 120.400 0.018 0.000 2.480 290 K HA 0.203 4.523 4.320 -0.001 0.000 0.241 290 K C 1.226 177.836 176.600 0.016 0.000 1.261 290 K CA -0.007 56.290 56.287 0.017 0.000 1.193 290 K CB -0.491 32.017 32.500 0.013 0.000 1.598 290 K HN 0.408 nan 8.250 nan 0.000 0.278 291 L N -0.108 121.127 121.223 0.020 0.000 2.109 291 L HA 0.021 4.361 4.340 -0.001 0.000 0.207 291 L C 1.160 178.043 176.870 0.021 0.000 1.086 291 L CA 0.716 55.569 54.840 0.021 0.000 0.760 291 L CB -0.878 41.196 42.059 0.025 0.000 0.910 291 L HN 0.746 nan 8.230 nan 0.000 0.437 292 G N 0.369 109.182 108.800 0.021 0.000 2.860 292 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.553 292 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.553 292 G C 0.070 174.986 174.900 0.026 0.000 1.439 292 G CA -0.079 45.032 45.100 0.020 0.000 0.879 292 G HN 0.271 nan 8.290 nan 0.000 0.545 293 D N 0.018 120.432 120.400 0.023 0.000 2.263 293 D HA -0.089 4.551 4.640 -0.001 0.000 0.208 293 D C 2.040 178.376 176.300 0.061 0.000 0.971 293 D CA 1.577 55.597 54.000 0.032 0.000 0.867 293 D CB 0.124 40.932 40.800 0.014 0.000 0.929 293 D HN 0.577 nan 8.370 nan 0.000 0.492 294 E N 1.127 121.357 120.200 0.049 0.000 2.106 294 E HA -0.089 4.261 4.350 -0.001 0.000 0.192 294 E C 2.154 178.784 176.600 0.050 0.000 0.984 294 E CA 1.456 57.888 56.400 0.053 0.000 0.806 294 E CB -0.592 29.129 29.700 0.035 0.000 0.750 294 E HN 0.208 nan 8.360 nan 0.000 0.458 295 G N 0.212 109.036 108.800 0.041 0.000 2.408 295 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.217 295 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.217 295 G C 1.712 176.641 174.900 0.048 0.000 1.150 295 G CA 0.872 45.995 45.100 0.037 0.000 0.776 295 G HN 0.435 nan 8.290 nan 0.000 0.542 296 A N 0.772 123.627 122.820 0.059 0.000 1.908 296 A HA -0.064 4.256 4.320 -0.001 0.000 0.218 296 A C 2.303 179.947 177.584 0.099 0.000 1.181 296 A CA 1.919 53.998 52.037 0.071 0.000 0.627 296 A CB -0.488 18.552 19.000 0.067 0.000 0.818 296 A HN 0.367 nan 8.150 nan 0.000 0.445 297 R N -0.293 120.286 120.500 0.133 0.000 2.080 297 R HA -0.122 4.217 4.340 -0.001 0.000 0.236 297 R C 2.072 178.384 176.300 0.020 0.000 1.137 297 R CA 1.817 57.987 56.100 0.117 0.000 0.943 297 R CB -0.500 29.857 30.300 0.096 0.000 0.846 297 R HN 0.524 nan 8.270 nan 0.000 0.431 298 L N 0.823 122.060 121.223 0.023 0.000 2.012 298 L HA -0.249 4.091 4.340 -0.001 0.000 0.210 298 L C 2.583 179.463 176.870 0.018 0.000 1.073 298 L CA 1.396 56.242 54.840 0.010 0.000 0.748 298 L CB -0.591 41.477 42.059 0.015 0.000 0.891 298 L HN 0.264 nan 8.230 nan 0.000 0.431 299 L N -0.911 120.331 121.223 0.032 0.000 2.013 299 L HA -0.294 4.045 4.340 -0.001 0.000 0.212 299 L C 2.759 179.651 176.870 0.036 0.000 1.073 299 L CA 1.499 56.362 54.840 0.038 0.000 0.753 299 L CB -0.811 41.276 42.059 0.047 0.000 0.890 299 L HN 0.426 nan 8.230 nan 0.000 0.432 300 C N -0.631 118.692 119.300 0.039 0.000 2.425 300 C HA -0.149 4.310 4.460 -0.001 0.000 0.277 300 C C 2.733 177.727 174.990 0.007 0.000 1.280 300 C CA 0.720 59.758 59.018 0.033 0.000 1.744 300 C CB -0.726 27.047 27.740 0.056 0.000 1.989 300 C HN 0.548 nan 8.230 nan 0.000 0.491 301 E N 1.879 122.070 120.200 -0.015 0.000 2.070 301 E HA -0.189 4.161 4.350 -0.001 0.000 0.197 301 E C 2.133 178.732 176.600 -0.001 0.000 1.004 301 E CA 2.279 58.664 56.400 -0.025 0.000 0.805 301 E CB -0.230 29.452 29.700 -0.029 0.000 0.744 301 E HN 0.602 nan 8.360 nan 0.000 0.451 302 S N -0.001 115.705 115.700 0.011 0.000 2.345 302 S HA -0.084 4.386 4.470 -0.001 0.000 0.220 302 S C 1.924 176.544 174.600 0.033 0.000 1.031 302 S CA 1.177 59.390 58.200 0.022 0.000 0.996 302 S CB -0.388 62.828 63.200 0.027 0.000 0.882 302 S HN 0.275 nan 8.310 nan 0.000 0.445 303 L N 1.139 122.385 121.223 0.039 0.000 2.447 303 L HA -0.041 4.299 4.340 -0.001 0.000 0.225 303 L C 1.854 178.752 176.870 0.047 0.000 1.148 303 L CA 0.654 55.526 54.840 0.052 0.000 0.808 303 L CB -0.476 41.616 42.059 0.054 0.000 0.928 303 L HN 0.288 nan 8.230 nan 0.000 0.448 304 L N -1.300 119.942 121.223 0.030 0.000 2.375 304 L HA 0.012 4.352 4.340 -0.001 0.000 0.215 304 L C 0.862 177.749 176.870 0.027 0.000 1.108 304 L CA -0.050 54.803 54.840 0.022 0.000 0.830 304 L CB 0.012 42.075 42.059 0.007 0.000 0.959 304 L HN 0.237 nan 8.230 nan 0.000 0.457 305 Q N 1.365 121.184 119.800 0.033 0.000 2.271 305 Q HA 0.048 4.388 4.340 -0.001 0.000 0.273 305 Q C -1.465 174.571 176.000 0.060 0.000 1.051 305 Q CA -1.531 54.294 55.803 0.036 0.000 0.901 305 Q CB 0.558 29.315 28.738 0.030 0.000 1.174 305 Q HN 0.097 nan 8.270 nan 0.000 0.385 306 P HA -0.104 nan 4.420 nan 0.000 0.225 306 P C 0.798 178.169 177.300 0.117 0.000 1.148 306 P CA 0.925 64.084 63.100 0.099 0.000 0.779 306 P CB 0.281 32.021 31.700 0.067 0.000 0.780 307 G N -0.615 108.225 108.800 0.066 0.000 2.920 307 G HA2 -0.065 3.895 3.960 -0.001 0.000 0.208 307 G HA3 -0.065 3.895 3.960 -0.001 0.000 0.208 307 G C 0.316 175.229 174.900 0.022 0.000 1.159 307 G CA -0.104 45.018 45.100 0.037 0.000 0.784 307 G HN 0.397 nan 8.290 nan 0.000 0.535 308 C N 1.101 120.432 119.300 0.051 0.000 2.325 308 C HA 0.527 4.987 4.460 -0.001 0.000 0.347 308 C C 0.895 175.903 174.990 0.031 0.000 1.263 308 C CA -0.625 58.419 59.018 0.044 0.000 1.806 308 C CB 0.323 28.103 27.740 0.067 0.000 2.405 308 C HN 0.527 nan 8.230 nan 0.000 0.537 309 Q N 3.893 123.664 119.800 -0.047 0.000 2.157 309 Q HA 0.147 4.486 4.340 -0.001 0.000 0.229 309 Q C -0.231 175.753 176.000 -0.028 0.000 0.827 309 Q CA -0.520 55.191 55.803 -0.154 0.000 1.055 309 Q CB 0.597 29.177 28.738 -0.265 0.000 1.157 309 Q HN 0.728 nan 8.270 nan 0.000 0.482 310 L N 1.652 122.902 121.223 0.044 0.000 2.540 310 L HA -0.085 4.255 4.340 -0.001 0.000 0.276 310 L C 1.015 177.947 176.870 0.103 0.000 1.212 310 L CA 1.221 56.106 54.840 0.075 0.000 0.893 310 L CB 0.557 42.668 42.059 0.088 0.000 1.138 310 L HN 0.127 nan 8.230 nan 0.000 0.491 311 E N 1.140 121.405 120.200 0.107 0.000 2.290 311 E HA 0.156 4.505 4.350 -0.001 0.000 0.197 311 E C -0.275 176.413 176.600 0.146 0.000 0.948 311 E CA 0.191 56.664 56.400 0.121 0.000 0.895 311 E CB 0.478 30.240 29.700 0.103 0.000 0.865 311 E HN 0.651 nan 8.360 nan 0.000 0.486 312 S N 0.913 116.723 115.700 0.184 0.000 2.557 312 S HA 0.470 4.940 4.470 -0.001 0.000 0.291 312 S C -1.377 173.398 174.600 0.292 0.000 1.116 312 S CA -0.679 57.679 58.200 0.264 0.000 0.992 312 S CB 1.995 65.419 63.200 0.374 0.000 1.028 312 S HN 0.047 nan 8.310 nan 0.000 0.484 313 L N 3.230 124.627 121.223 0.289 0.000 2.381 313 L HA 0.732 5.072 4.340 -0.001 0.000 0.274 313 L C -2.235 174.831 176.870 0.327 0.000 0.988 313 L CA -0.400 54.593 54.840 0.254 0.000 0.824 313 L CB 0.878 43.021 42.059 0.141 0.000 1.263 313 L HN 0.726 nan 8.230 nan 0.000 0.410 314 W N 5.266 126.528 121.300 -0.065 0.000 2.417 314 W HA 0.623 5.282 4.660 -0.001 0.000 0.315 314 W C 0.083 176.546 176.519 -0.094 0.000 1.045 314 W CA -0.843 56.439 57.345 -0.106 0.000 1.221 314 W CB 1.877 31.199 29.460 -0.230 0.000 1.309 314 W HN 0.397 nan 8.180 nan 0.000 0.453 315 V N 1.312 121.294 119.914 0.112 0.000 2.792 315 V HA 0.285 4.404 4.120 -0.001 0.000 0.360 315 V C 0.060 176.176 176.094 0.037 0.000 1.306 315 V CA -1.066 61.275 62.300 0.067 0.000 1.245 315 V CB -0.113 31.739 31.823 0.049 0.000 1.382 315 V HN 0.422 nan 8.190 nan 0.000 0.636 316 K N 0.772 121.197 120.400 0.041 0.000 2.401 316 K HA 0.321 4.640 4.320 -0.001 0.000 0.278 316 K C 0.713 177.333 176.600 0.033 0.000 1.018 316 K CA 0.847 57.141 56.287 0.012 0.000 0.981 316 K CB 0.578 33.083 32.500 0.008 0.000 0.933 316 K HN 0.546 nan 8.250 nan 0.000 0.477 317 S N 2.267 117.979 115.700 0.019 0.000 3.524 317 S HA -0.159 4.311 4.470 -0.001 0.000 0.377 317 S C -0.033 174.589 174.600 0.037 0.000 0.949 317 S CA 0.486 58.703 58.200 0.029 0.000 1.264 317 S CB -1.282 61.944 63.200 0.043 0.000 0.918 317 S HN 0.709 nan 8.310 nan 0.000 0.517 318 C N 1.479 120.796 119.300 0.028 0.000 2.863 318 C HA 0.418 4.878 4.460 -0.001 0.000 0.284 318 C C 1.177 176.180 174.990 0.021 0.000 1.426 318 C CA 0.073 59.109 59.018 0.029 0.000 1.782 318 C CB -1.170 26.589 27.740 0.031 0.000 2.554 318 C HN 0.903 nan 8.230 nan 0.000 0.566 319 S N 1.041 116.751 115.700 0.017 0.000 3.706 319 S HA -0.159 4.310 4.470 -0.001 0.000 0.363 319 S C -0.262 174.344 174.600 0.009 0.000 0.999 319 S CA 0.470 58.678 58.200 0.013 0.000 1.143 319 S CB -1.587 61.622 63.200 0.014 0.000 0.902 319 S HN 0.686 nan 8.310 nan 0.000 0.476 320 L N 1.148 122.375 121.223 0.006 0.000 2.325 320 L HA 0.685 5.025 4.340 -0.001 0.000 0.278 320 L C 0.998 177.864 176.870 -0.006 0.000 1.023 320 L CA -0.574 54.267 54.840 0.001 0.000 0.811 320 L CB 1.753 43.813 42.059 0.002 0.000 1.249 320 L HN 0.439 nan 8.230 nan 0.000 0.431 321 T N -1.652 112.894 114.554 -0.013 0.000 2.870 321 T HA 0.515 4.865 4.350 -0.001 0.000 0.277 321 T C 0.961 175.643 174.700 -0.031 0.000 1.000 321 T CA -0.087 62.002 62.100 -0.018 0.000 0.982 321 T CB 1.577 70.434 68.868 -0.017 0.000 1.249 321 T HN 0.544 nan 8.240 nan 0.000 0.589 322 A N -0.138 122.663 122.820 -0.032 0.000 2.121 322 A HA 0.337 4.657 4.320 -0.001 0.000 0.218 322 A C 2.441 179.987 177.584 -0.063 0.000 1.154 322 A CA 1.348 53.360 52.037 -0.041 0.000 0.679 322 A CB -1.498 17.482 19.000 -0.033 0.000 0.795 322 A HN 1.214 nan 8.150 nan 0.000 0.458 323 A N -0.449 122.333 122.820 -0.063 0.000 2.131 323 A HA -0.169 4.150 4.320 -0.001 0.000 0.220 323 A C 2.107 179.586 177.584 -0.176 0.000 1.158 323 A CA 1.634 53.616 52.037 -0.092 0.000 0.665 323 A CB -1.250 17.715 19.000 -0.059 0.000 0.795 323 A HN 1.247 nan 8.150 nan 0.000 0.460 324 C N -3.889 115.315 119.300 -0.160 0.000 2.906 324 C HA 0.250 4.709 4.460 -0.001 0.000 0.274 324 C C 2.251 177.119 174.990 -0.204 0.000 1.257 324 C CA -0.094 58.785 59.018 -0.232 0.000 1.695 324 C CB -1.859 25.835 27.740 -0.076 0.000 1.958 324 C HN 0.581 nan 8.230 nan 0.000 0.619 325 C N 2.331 121.547 119.300 -0.139 0.000 2.411 325 C HA -0.166 4.293 4.460 -0.001 0.000 0.279 325 C C 3.111 178.050 174.990 -0.086 0.000 1.288 325 C CA 1.968 60.934 59.018 -0.086 0.000 1.764 325 C CB -1.348 26.356 27.740 -0.060 0.000 1.974 325 C HN 0.805 nan 8.230 nan 0.000 0.498 326 Q N 0.499 120.208 119.800 -0.152 0.000 2.096 326 Q HA -0.244 4.095 4.340 -0.001 0.000 0.204 326 Q C 1.502 177.522 176.000 0.033 0.000 0.982 326 Q CA 2.122 57.876 55.803 -0.082 0.000 0.850 326 Q CB -0.719 27.955 28.738 -0.107 0.000 0.901 326 Q HN 0.786 nan 8.270 nan 0.000 0.422 327 H N 0.433 119.504 119.070 0.002 0.000 2.317 327 H HA -0.011 4.544 4.556 -0.001 0.000 0.304 327 H C 2.391 177.721 175.328 0.004 0.000 1.067 327 H CA 0.875 56.925 56.048 0.004 0.000 1.352 327 H CB 0.162 29.928 29.762 0.006 0.000 1.398 327 H HN 0.002 nan 8.280 nan 0.000 0.510 328 V N 0.816 120.793 119.914 0.106 0.000 2.380 328 V HA -0.300 3.820 4.120 -0.001 0.000 0.251 328 V C 2.310 178.428 176.094 0.040 0.000 1.063 328 V CA 1.928 64.263 62.300 0.058 0.000 1.055 328 V CB -0.482 31.355 31.823 0.025 0.000 0.657 328 V HN 0.383 nan 8.190 nan 0.000 0.455 329 S N -0.043 115.676 115.700 0.032 0.000 2.343 329 S HA -0.171 4.299 4.470 -0.001 0.000 0.219 329 S C 1.881 176.499 174.600 0.029 0.000 1.033 329 S CA 1.789 60.001 58.200 0.021 0.000 1.014 329 S CB -0.480 62.727 63.200 0.011 0.000 0.915 329 S HN 0.470 nan 8.310 nan 0.000 0.435 330 L N 2.287 123.539 121.223 0.048 0.000 1.971 330 L HA -0.089 4.251 4.340 -0.001 0.000 0.215 330 L C 2.257 179.147 176.870 0.032 0.000 1.072 330 L CA 2.030 56.895 54.840 0.043 0.000 0.758 330 L CB -0.868 41.229 42.059 0.064 0.000 0.889 330 L HN 0.336 nan 8.230 nan 0.000 0.433 331 M N -0.959 118.666 119.600 0.042 0.000 2.082 331 M HA -0.266 4.213 4.480 -0.001 0.000 0.258 331 M C 2.296 178.608 176.300 0.019 0.000 1.069 331 M CA 2.149 57.467 55.300 0.030 0.000 1.102 331 M CB -0.586 32.039 32.600 0.042 0.000 1.336 331 M HN 0.437 nan 8.290 nan 0.000 0.404 332 L N 0.293 121.528 121.223 0.020 0.000 2.261 332 L HA -0.204 4.136 4.340 -0.001 0.000 0.216 332 L C 2.332 179.202 176.870 0.001 0.000 1.114 332 L CA 1.847 56.693 54.840 0.010 0.000 0.777 332 L CB -0.758 41.306 42.059 0.008 0.000 0.910 332 L HN 0.525 nan 8.230 nan 0.000 0.440 333 T N -5.131 109.424 114.554 0.002 0.000 3.054 333 T HA -0.037 4.313 4.350 -0.001 0.000 0.259 333 T C 1.598 176.291 174.700 -0.011 0.000 1.092 333 T CA 0.303 62.401 62.100 -0.004 0.000 1.121 333 T CB 0.139 69.007 68.868 0.000 0.000 0.912 333 T HN 0.169 nan 8.240 nan 0.000 0.489 334 Q N 0.821 120.614 119.800 -0.011 0.000 2.217 334 Q HA 0.315 4.655 4.340 -0.001 0.000 0.217 334 Q C -0.044 175.934 176.000 -0.037 0.000 0.844 334 Q CA -0.054 55.737 55.803 -0.020 0.000 0.957 334 Q CB 0.311 29.043 28.738 -0.010 0.000 1.127 334 Q HN 0.484 nan 8.270 nan 0.000 0.503 335 N N 1.957 120.634 118.700 -0.038 0.000 2.419 335 N HA 0.067 4.807 4.740 -0.001 0.000 0.277 335 N C -0.240 175.197 175.510 -0.121 0.000 1.006 335 N CA -0.052 52.960 53.050 -0.065 0.000 0.923 335 N CB 0.879 39.360 38.487 -0.010 0.000 1.140 335 N HN -0.166 nan 8.380 nan 0.000 0.488 336 K N 3.185 123.416 120.400 -0.282 0.000 2.832 336 K HA 0.203 4.522 4.320 -0.001 0.000 0.211 336 K C -0.196 176.130 176.600 -0.456 0.000 1.112 336 K CA -0.224 55.869 56.287 -0.324 0.000 1.108 336 K CB -0.021 32.311 32.500 -0.280 0.000 0.899 336 K HN 0.658 nan 8.250 nan 0.000 0.464 337 H N -0.919 118.166 119.070 0.024 0.000 2.998 337 H HA 0.168 4.723 4.556 -0.001 0.000 0.223 337 H C -0.307 175.044 175.328 0.037 0.000 0.906 337 H CA -0.691 55.374 56.048 0.029 0.000 1.014 337 H CB 0.560 30.340 29.762 0.030 0.000 1.389 337 H HN -0.006 nan 8.280 nan 0.000 0.467 338 L N 2.799 124.106 121.223 0.140 0.000 2.562 338 L HA 0.004 4.344 4.340 -0.001 0.000 0.271 338 L C 0.301 177.217 176.870 0.077 0.000 1.167 338 L CA 0.543 55.446 54.840 0.104 0.000 0.917 338 L CB 0.224 42.330 42.059 0.079 0.000 1.187 338 L HN 0.340 nan 8.230 nan 0.000 0.482 339 L N 3.214 124.488 121.223 0.085 0.000 2.575 339 L HA 0.325 4.665 4.340 -0.001 0.000 0.228 339 L C 0.394 177.297 176.870 0.056 0.000 1.075 339 L CA 0.047 54.926 54.840 0.065 0.000 0.867 339 L CB 0.294 42.397 42.059 0.073 0.000 1.097 339 L HN 0.648 nan 8.230 nan 0.000 0.485 340 E N 1.029 121.273 120.200 0.073 0.000 2.260 340 E HA 0.431 4.780 4.350 -0.001 0.000 0.266 340 E C -1.722 174.904 176.600 0.042 0.000 0.887 340 E CA -0.558 55.875 56.400 0.055 0.000 0.777 340 E CB 2.316 32.077 29.700 0.102 0.000 1.205 340 E HN -0.086 nan 8.360 nan 0.000 0.414 341 L N 3.867 125.078 121.223 -0.021 0.000 2.381 341 L HA 0.432 4.772 4.340 -0.001 0.000 0.274 341 L C -1.484 175.303 176.870 -0.138 0.000 0.988 341 L CA -0.386 54.430 54.840 -0.040 0.000 0.824 341 L CB 1.864 43.914 42.059 -0.014 0.000 1.263 341 L HN 0.528 nan 8.230 nan 0.000 0.410 342 Q N 4.718 124.392 119.800 -0.209 0.000 2.425 342 Q HA 0.479 4.818 4.340 -0.001 0.000 0.254 342 Q C -1.233 174.663 176.000 -0.175 0.000 1.032 342 Q CA 0.182 55.786 55.803 -0.332 0.000 0.798 342 Q CB 1.061 29.349 28.738 -0.751 0.000 1.210 342 Q HN 0.832 nan 8.270 nan 0.000 0.491 343 L N 1.924 123.068 121.223 -0.131 0.000 3.014 343 L HA 0.353 4.693 4.340 -0.001 0.000 0.263 343 L C -0.021 176.808 176.870 -0.069 0.000 1.207 343 L CA -0.291 54.504 54.840 -0.075 0.000 1.017 343 L CB 0.558 42.586 42.059 -0.051 0.000 1.360 343 L HN 0.459 nan 8.230 nan 0.000 0.560 344 S N -0.379 115.264 115.700 -0.095 0.000 2.580 344 S HA 0.061 4.531 4.470 -0.001 0.000 0.266 344 S C 1.107 175.683 174.600 -0.041 0.000 1.354 344 S CA -0.118 58.041 58.200 -0.070 0.000 1.008 344 S CB 0.972 64.118 63.200 -0.091 0.000 0.898 344 S HN 0.356 nan 8.310 nan 0.000 0.555 345 S N 1.434 117.117 115.700 -0.027 0.000 3.682 345 S HA -0.135 4.335 4.470 -0.001 0.000 0.354 345 S C -0.370 174.226 174.600 -0.006 0.000 1.034 345 S CA 0.353 58.546 58.200 -0.012 0.000 1.084 345 S CB -1.378 61.819 63.200 -0.006 0.000 0.903 345 S HN 0.678 nan 8.310 nan 0.000 0.470 346 N N 0.610 119.304 118.700 -0.011 0.000 2.229 346 N HA 0.265 5.004 4.740 -0.001 0.000 0.298 346 N C -0.485 175.019 175.510 -0.009 0.000 1.114 346 N CA -0.723 52.322 53.050 -0.008 0.000 0.776 346 N CB 1.277 39.757 38.487 -0.011 0.000 1.501 346 N HN 0.142 nan 8.380 nan 0.000 0.474 347 K N 2.157 122.553 120.400 -0.007 0.000 2.502 347 K HA 0.262 4.582 4.320 -0.001 0.000 0.244 347 K C 1.049 177.641 176.600 -0.012 0.000 1.249 347 K CA 0.026 56.308 56.287 -0.008 0.000 1.193 347 K CB -0.021 32.476 32.500 -0.005 0.000 1.674 347 K HN 0.358 nan 8.250 nan 0.000 0.302 348 L N 0.337 121.551 121.223 -0.015 0.000 2.209 348 L HA 0.045 4.385 4.340 -0.001 0.000 0.207 348 L C 1.182 178.042 176.870 -0.018 0.000 1.094 348 L CA 0.468 55.296 54.840 -0.020 0.000 0.790 348 L CB -0.579 41.466 42.059 -0.023 0.000 0.932 348 L HN 0.714 nan 8.230 nan 0.000 0.447 349 G N 0.556 109.348 108.800 -0.014 0.000 2.894 349 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.247 349 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.247 349 G C -0.084 174.808 174.900 -0.013 0.000 1.442 349 G CA 0.070 45.163 45.100 -0.012 0.000 0.897 349 G HN 0.233 nan 8.290 nan 0.000 0.550 350 D N -0.004 120.389 120.400 -0.011 0.000 2.178 350 D HA -0.064 4.576 4.640 -0.001 0.000 0.201 350 D C 2.783 179.075 176.300 -0.014 0.000 0.980 350 D CA 2.192 56.185 54.000 -0.012 0.000 0.842 350 D CB -0.257 40.537 40.800 -0.009 0.000 0.948 350 D HN 0.662 nan 8.370 nan 0.000 0.472 351 S N -0.421 115.270 115.700 -0.015 0.000 2.371 351 S HA -0.021 4.449 4.470 -0.001 0.000 0.224 351 S C 2.249 176.836 174.600 -0.021 0.000 1.029 351 S CA 0.978 59.168 58.200 -0.017 0.000 0.978 351 S CB -0.851 62.340 63.200 -0.016 0.000 0.833 351 S HN 0.262 nan 8.310 nan 0.000 0.466 352 G N 2.225 111.011 108.800 -0.024 0.000 2.402 352 G HA2 -0.021 3.939 3.960 -0.001 0.000 0.216 352 G HA3 -0.021 3.939 3.960 -0.001 0.000 0.216 352 G C 1.369 176.253 174.900 -0.026 0.000 1.162 352 G CA 0.777 45.860 45.100 -0.029 0.000 0.777 352 G HN 0.445 nan 8.290 nan 0.000 0.539 353 I N 1.082 121.638 120.570 -0.023 0.000 2.394 353 I HA -0.158 4.012 4.170 -0.001 0.000 0.251 353 I C 2.695 178.800 176.117 -0.020 0.000 1.136 353 I CA 1.170 62.457 61.300 -0.022 0.000 1.425 353 I CB -0.863 37.124 38.000 -0.020 0.000 1.079 353 I HN 0.361 nan 8.210 nan 0.000 0.425 354 Q N 1.436 121.225 119.800 -0.019 0.000 2.119 354 Q HA -0.208 4.131 4.340 -0.001 0.000 0.201 354 Q C 1.824 177.814 176.000 -0.017 0.000 0.972 354 Q CA 1.451 57.244 55.803 -0.017 0.000 0.847 354 Q CB 0.075 28.804 28.738 -0.015 0.000 0.903 354 Q HN 0.554 nan 8.270 nan 0.000 0.433 355 E N 0.537 120.726 120.200 -0.019 0.000 2.077 355 E HA -0.173 4.177 4.350 -0.001 0.000 0.193 355 E C 2.242 178.833 176.600 -0.015 0.000 0.989 355 E CA 1.237 57.626 56.400 -0.018 0.000 0.800 355 E CB -0.128 29.556 29.700 -0.025 0.000 0.746 355 E HN 0.420 nan 8.360 nan 0.000 0.452 356 L N 0.336 121.549 121.223 -0.017 0.000 2.093 356 L HA -0.157 4.183 4.340 -0.001 0.000 0.208 356 L C 2.663 179.525 176.870 -0.014 0.000 1.085 356 L CA 0.541 55.372 54.840 -0.015 0.000 0.755 356 L CB -0.473 41.575 42.059 -0.018 0.000 0.904 356 L HN 0.265 nan 8.230 nan 0.000 0.435 357 C N 0.365 119.655 119.300 -0.016 0.000 2.425 357 C HA -0.175 4.285 4.460 -0.001 0.000 0.277 357 C C 2.961 177.943 174.990 -0.013 0.000 1.280 357 C CA 1.329 60.337 59.018 -0.016 0.000 1.744 357 C CB -0.813 26.916 27.740 -0.017 0.000 1.989 357 C HN 0.645 nan 8.230 nan 0.000 0.491 358 Q N 0.893 120.686 119.800 -0.012 0.000 2.096 358 Q HA -0.014 4.325 4.340 -0.001 0.000 0.197 358 Q C 2.229 178.224 176.000 -0.007 0.000 0.964 358 Q CA 1.613 57.410 55.803 -0.009 0.000 0.838 358 Q CB -0.526 28.207 28.738 -0.008 0.000 0.906 358 Q HN 0.501 nan 8.270 nan 0.000 0.444 359 A N 2.270 125.087 122.820 -0.006 0.000 1.859 359 A HA -0.156 4.164 4.320 -0.001 0.000 0.217 359 A C 2.221 179.802 177.584 -0.006 0.000 1.198 359 A CA 1.633 53.668 52.037 -0.004 0.000 0.629 359 A CB -1.041 17.959 19.000 -0.000 0.000 0.830 359 A HN 0.413 nan 8.150 nan 0.000 0.446 360 L N 0.126 121.345 121.223 -0.008 0.000 2.549 360 L HA -0.110 4.229 4.340 -0.001 0.000 0.230 360 L C 2.416 179.280 176.870 -0.010 0.000 1.162 360 L CA 0.834 55.668 54.840 -0.010 0.000 0.834 360 L CB -0.304 41.748 42.059 -0.012 0.000 0.947 360 L HN 0.309 nan 8.230 nan 0.000 0.452 361 S N -1.335 114.359 115.700 -0.010 0.000 2.436 361 S HA -0.025 4.445 4.470 -0.001 0.000 0.228 361 S C 0.992 175.587 174.600 -0.009 0.000 1.014 361 S CA 0.374 58.568 58.200 -0.010 0.000 0.950 361 S CB -0.005 63.189 63.200 -0.010 0.000 0.784 361 S HN 0.388 nan 8.310 nan 0.000 0.504 362 Q N 1.667 121.462 119.800 -0.008 0.000 2.524 362 Q HA 0.210 4.550 4.340 -0.001 0.000 0.246 362 Q C -2.262 173.733 176.000 -0.009 0.000 1.063 362 Q CA -0.960 54.839 55.803 -0.008 0.000 0.945 362 Q CB -0.436 28.297 28.738 -0.007 0.000 1.292 362 Q HN 0.243 nan 8.270 nan 0.000 0.518 363 P HA 0.204 nan 4.420 nan 0.000 0.283 363 P C -0.117 177.177 177.300 -0.011 0.000 1.278 363 P CA -0.171 62.923 63.100 -0.009 0.000 0.834 363 P CB 0.757 32.452 31.700 -0.008 0.000 1.150 364 G N -0.302 108.491 108.800 -0.012 0.000 2.198 364 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.257 364 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.257 364 G C 0.094 174.982 174.900 -0.019 0.000 1.042 364 G CA 0.334 45.425 45.100 -0.015 0.000 0.791 364 G HN 0.872 nan 8.290 nan 0.000 0.502 365 T N -2.650 111.894 114.554 -0.016 0.000 2.902 365 T HA 0.690 5.039 4.350 -0.001 0.000 0.283 365 T C 1.228 175.919 174.700 -0.015 0.000 1.009 365 T CA 0.434 62.524 62.100 -0.016 0.000 1.051 365 T CB 1.940 70.801 68.868 -0.012 0.000 0.999 365 T HN 0.836 nan 8.240 nan 0.000 0.474 366 T N -0.702 113.842 114.554 -0.016 0.000 2.971 366 T HA 0.210 4.559 4.350 -0.001 0.000 0.252 366 T C 0.675 175.377 174.700 0.003 0.000 1.022 366 T CA -0.473 61.622 62.100 -0.009 0.000 0.980 366 T CB -0.270 68.587 68.868 -0.018 0.000 1.044 366 T HN 0.410 nan 8.240 nan 0.000 0.501 367 L N 2.851 124.075 121.223 0.002 0.000 2.640 367 L HA 0.203 4.543 4.340 -0.001 0.000 0.280 367 L C 1.469 178.342 176.870 0.005 0.000 1.229 367 L CA 0.374 55.219 54.840 0.008 0.000 0.919 367 L CB 0.348 42.408 42.059 0.002 0.000 1.168 367 L HN 0.193 nan 8.230 nan 0.000 0.496 368 R N 2.862 123.369 120.500 0.012 0.000 2.250 368 R HA 0.294 4.634 4.340 -0.001 0.000 0.194 368 R C -0.732 175.569 176.300 0.002 0.000 0.927 368 R CA 0.192 56.297 56.100 0.009 0.000 1.052 368 R CB 0.643 30.955 30.300 0.020 0.000 1.055 368 R HN 0.489 nan 8.270 nan 0.000 0.537 369 V N 2.378 122.291 119.914 -0.001 0.000 2.525 369 V HA 0.353 4.473 4.120 -0.001 0.000 0.299 369 V C -1.397 174.674 176.094 -0.038 0.000 1.034 369 V CA -0.889 61.401 62.300 -0.018 0.000 0.863 369 V CB 1.712 33.527 31.823 -0.014 0.000 0.999 369 V HN 0.069 nan 8.190 nan 0.000 0.423 370 L N 6.258 127.452 121.223 -0.048 0.000 2.343 370 L HA 0.715 5.054 4.340 -0.001 0.000 0.278 370 L C -0.550 176.273 176.870 -0.078 0.000 0.996 370 L CA 0.074 54.878 54.840 -0.059 0.000 0.831 370 L CB 1.225 43.259 42.059 -0.042 0.000 1.232 370 L HN 0.738 nan 8.230 nan 0.000 0.413 371 C N 5.682 124.915 119.300 -0.112 0.000 2.295 371 C HA 0.536 4.995 4.460 -0.001 0.000 0.331 371 C C 0.889 175.821 174.990 -0.097 0.000 1.280 371 C CA -0.628 58.317 59.018 -0.122 0.000 1.746 371 C CB 0.350 27.972 27.740 -0.198 0.000 2.328 371 C HN 0.810 nan 8.230 nan 0.000 0.521 372 L N 2.744 123.924 121.223 -0.071 0.000 3.347 372 L HA 0.282 4.622 4.340 -0.001 0.000 0.306 372 L C 1.227 178.073 176.870 -0.041 0.000 1.301 372 L CA 0.021 54.829 54.840 -0.053 0.000 0.985 372 L CB -0.168 41.866 42.059 -0.042 0.000 1.400 372 L HN 0.922 nan 8.230 nan 0.000 0.601 373 G N -0.716 108.058 108.800 -0.044 0.000 2.432 373 G HA2 0.118 4.077 3.960 -0.001 0.000 0.239 373 G HA3 0.118 4.077 3.960 -0.001 0.000 0.239 373 G C 0.312 175.198 174.900 -0.023 0.000 1.291 373 G CA 0.146 45.231 45.100 -0.025 0.000 0.863 373 G HN 0.457 nan 8.290 nan 0.000 0.560 374 D N -0.264 120.129 120.400 -0.012 0.000 2.697 374 D HA -0.179 4.460 4.640 -0.001 0.000 0.238 374 D C 0.967 177.261 176.300 -0.011 0.000 1.152 374 D CA 0.845 54.840 54.000 -0.008 0.000 0.666 374 D CB -1.228 39.568 40.800 -0.007 0.000 1.037 374 D HN 0.324 nan 8.370 nan 0.000 0.423 375 C N 0.383 119.676 119.300 -0.012 0.000 3.104 375 C HA 0.224 4.683 4.460 -0.001 0.000 0.284 375 C C 1.006 175.991 174.990 -0.009 0.000 1.326 375 C CA 0.081 59.091 59.018 -0.014 0.000 1.725 375 C CB -0.643 27.085 27.740 -0.020 0.000 2.156 375 C HN 0.619 nan 8.230 nan 0.000 0.638 376 E N -0.446 119.751 120.200 -0.005 0.000 2.833 376 E HA -0.138 4.212 4.350 -0.001 0.000 0.289 376 E C -0.199 176.399 176.600 -0.003 0.000 0.980 376 E CA -0.044 56.355 56.400 -0.001 0.000 0.897 376 E CB -1.537 28.162 29.700 -0.001 0.000 1.440 376 E HN 0.446 nan 8.360 nan 0.000 0.410 377 V N 1.270 121.181 119.914 -0.004 0.000 2.686 377 V HA 0.246 4.366 4.120 -0.001 0.000 0.295 377 V C 1.203 177.297 176.094 0.000 0.000 1.055 377 V CA 0.940 63.237 62.300 -0.006 0.000 1.050 377 V CB 1.375 33.192 31.823 -0.010 0.000 0.984 377 V HN 0.411 nan 8.190 nan 0.000 0.482 378 T N 0.831 115.385 114.554 0.000 0.000 2.844 378 T HA 0.293 4.643 4.350 -0.001 0.000 0.274 378 T C 0.938 175.640 174.700 0.003 0.000 0.991 378 T CA -0.667 61.436 62.100 0.005 0.000 0.983 378 T CB 1.017 69.888 68.868 0.005 0.000 1.310 378 T HN 0.414 nan 8.240 nan 0.000 0.596 379 N N 0.444 119.148 118.700 0.006 0.000 2.309 379 N HA -0.042 4.698 4.740 -0.001 0.000 0.182 379 N C 2.043 177.550 175.510 -0.004 0.000 1.018 379 N CA 1.167 54.219 53.050 0.003 0.000 0.876 379 N CB -0.577 37.915 38.487 0.008 0.000 0.972 379 N HN 0.595 nan 8.380 nan 0.000 0.434 380 S N -0.007 115.691 115.700 -0.003 0.000 2.387 380 S HA -0.021 4.449 4.470 -0.001 0.000 0.226 380 S C 2.079 176.673 174.600 -0.010 0.000 1.026 380 S CA 0.999 59.195 58.200 -0.006 0.000 0.972 380 S CB -0.512 62.685 63.200 -0.005 0.000 0.814 380 S HN 0.487 nan 8.310 nan 0.000 0.477 381 G N 0.886 109.681 108.800 -0.009 0.000 2.418 381 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.217 381 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.217 381 G C 1.510 176.401 174.900 -0.016 0.000 1.158 381 G CA 1.078 46.170 45.100 -0.012 0.000 0.771 381 G HN 0.570 nan 8.290 nan 0.000 0.545 382 C N 1.011 120.301 119.300 -0.016 0.000 2.403 382 C HA -0.054 4.405 4.460 -0.001 0.000 0.282 382 C C 3.344 178.319 174.990 -0.024 0.000 1.297 382 C CA 1.208 60.213 59.018 -0.023 0.000 1.785 382 C CB -0.998 26.728 27.740 -0.024 0.000 1.963 382 C HN 0.421 nan 8.230 nan 0.000 0.507 383 S N 1.105 116.793 115.700 -0.020 0.000 2.348 383 S HA -0.154 4.316 4.470 -0.001 0.000 0.221 383 S C 2.072 176.660 174.600 -0.020 0.000 1.033 383 S CA 1.834 60.022 58.200 -0.020 0.000 1.010 383 S CB -0.379 62.811 63.200 -0.016 0.000 0.891 383 S HN 0.743 nan 8.310 nan 0.000 0.442 384 S N 2.261 117.950 115.700 -0.018 0.000 2.359 384 S HA -0.089 4.381 4.470 -0.001 0.000 0.223 384 S C 1.890 176.478 174.600 -0.021 0.000 1.039 384 S CA 1.281 59.471 58.200 -0.018 0.000 1.042 384 S CB -0.717 62.473 63.200 -0.017 0.000 0.915 384 S HN 0.331 nan 8.310 nan 0.000 0.439 385 L N 1.264 122.473 121.223 -0.023 0.000 2.042 385 L HA -0.174 4.166 4.340 -0.001 0.000 0.210 385 L C 2.865 179.717 176.870 -0.029 0.000 1.076 385 L CA 1.241 56.065 54.840 -0.026 0.000 0.749 385 L CB -0.787 41.254 42.059 -0.029 0.000 0.893 385 L HN 0.361 nan 8.230 nan 0.000 0.432 386 A N -0.725 122.077 122.820 -0.031 0.000 1.908 386 A HA -0.218 4.102 4.320 -0.001 0.000 0.218 386 A C 2.510 180.077 177.584 -0.028 0.000 1.181 386 A CA 2.219 54.236 52.037 -0.033 0.000 0.627 386 A CB -0.630 18.349 19.000 -0.035 0.000 0.818 386 A HN 0.392 nan 8.150 nan 0.000 0.445 387 S N -0.561 115.124 115.700 -0.024 0.000 2.356 387 S HA -0.142 4.328 4.470 -0.001 0.000 0.223 387 S C 1.877 176.465 174.600 -0.020 0.000 1.032 387 S CA 1.349 59.536 58.200 -0.021 0.000 1.005 387 S CB -0.521 62.668 63.200 -0.018 0.000 0.867 387 S HN 0.550 nan 8.310 nan 0.000 0.449 388 L N 2.380 123.591 121.223 -0.021 0.000 1.997 388 L HA -0.128 4.212 4.340 -0.001 0.000 0.216 388 L C 1.918 178.775 176.870 -0.021 0.000 1.074 388 L CA 1.782 56.610 54.840 -0.020 0.000 0.763 388 L CB -0.808 41.239 42.059 -0.021 0.000 0.890 388 L HN 0.311 nan 8.230 nan 0.000 0.434 389 L N -1.152 120.056 121.223 -0.025 0.000 2.263 389 L HA -0.241 4.099 4.340 -0.001 0.000 0.216 389 L C 2.334 179.190 176.870 -0.023 0.000 1.111 389 L CA 1.132 55.956 54.840 -0.026 0.000 0.773 389 L CB -0.488 41.552 42.059 -0.032 0.000 0.906 389 L HN 0.424 nan 8.230 nan 0.000 0.439 390 L N -1.621 119.589 121.223 -0.022 0.000 2.416 390 L HA 0.054 4.394 4.340 -0.001 0.000 0.216 390 L C 2.542 179.402 176.870 -0.016 0.000 1.098 390 L CA 0.499 55.328 54.840 -0.020 0.000 0.840 390 L CB -0.335 41.712 42.059 -0.019 0.000 0.981 390 L HN 0.138 nan 8.230 nan 0.000 0.462 391 A N -0.386 122.424 122.820 -0.016 0.000 1.887 391 A HA -0.010 4.310 4.320 -0.001 0.000 0.210 391 A C 1.205 178.782 177.584 -0.013 0.000 1.221 391 A CA 0.110 52.139 52.037 -0.013 0.000 0.635 391 A CB -0.282 18.710 19.000 -0.013 0.000 0.881 391 A HN 0.352 nan 8.150 nan 0.000 0.456 392 N N 0.136 118.827 118.700 -0.014 0.000 2.492 392 N HA 0.106 4.845 4.740 -0.001 0.000 0.262 392 N C 0.019 175.521 175.510 -0.012 0.000 1.202 392 N CA 0.147 53.190 53.050 -0.013 0.000 0.926 392 N CB 0.750 39.229 38.487 -0.014 0.000 1.078 392 N HN 0.210 nan 8.380 nan 0.000 0.454 393 R N 0.817 121.311 120.500 -0.011 0.000 2.437 393 R HA 0.111 4.451 4.340 -0.001 0.000 0.257 393 R C 1.727 178.022 176.300 -0.008 0.000 0.927 393 R CA 0.077 56.171 56.100 -0.009 0.000 1.078 393 R CB 0.291 30.586 30.300 -0.008 0.000 1.161 393 R HN 0.650 nan 8.270 nan 0.000 0.529 394 S N 0.157 115.852 115.700 -0.008 0.000 2.439 394 S HA 0.131 4.601 4.470 -0.001 0.000 0.224 394 S C 0.862 175.460 174.600 -0.005 0.000 1.029 394 S CA -0.037 58.160 58.200 -0.005 0.000 0.946 394 S CB -0.067 63.130 63.200 -0.005 0.000 0.797 394 S HN 0.084 nan 8.310 nan 0.000 0.504 395 L N 1.840 123.058 121.223 -0.009 0.000 2.485 395 L HA 0.249 4.589 4.340 -0.001 0.000 0.275 395 L C 1.670 178.533 176.870 -0.010 0.000 1.207 395 L CA -0.412 54.422 54.840 -0.011 0.000 0.855 395 L CB 0.425 42.474 42.059 -0.016 0.000 1.114 395 L HN 0.156 nan 8.230 nan 0.000 0.485 396 R N 0.822 121.316 120.500 -0.009 0.000 2.350 396 R HA 0.233 4.572 4.340 -0.001 0.000 0.199 396 R C -0.090 176.202 176.300 -0.013 0.000 0.876 396 R CA 0.229 56.324 56.100 -0.008 0.000 1.062 396 R CB 0.353 30.653 30.300 -0.000 0.000 1.263 396 R HN 0.602 nan 8.270 nan 0.000 0.641 397 E N 0.898 121.089 120.200 -0.016 0.000 2.234 397 E HA 0.393 4.743 4.350 -0.001 0.000 0.266 397 E C -1.543 175.037 176.600 -0.032 0.000 0.877 397 E CA -0.705 55.682 56.400 -0.023 0.000 0.758 397 E CB 1.458 31.149 29.700 -0.016 0.000 1.170 397 E HN -0.122 nan 8.360 nan 0.000 0.415 398 L N 4.356 125.556 121.223 -0.039 0.000 2.406 398 L HA 0.464 4.804 4.340 -0.001 0.000 0.272 398 L C -1.582 175.259 176.870 -0.049 0.000 0.980 398 L CA -0.477 54.336 54.840 -0.044 0.000 0.831 398 L CB 1.784 43.818 42.059 -0.042 0.000 1.253 398 L HN 0.444 nan 8.230 nan 0.000 0.406 399 D N 4.716 125.085 120.400 -0.051 0.000 2.303 399 D HA 0.355 4.995 4.640 -0.001 0.000 0.236 399 D C -0.187 176.090 176.300 -0.038 0.000 1.068 399 D CA -0.021 53.953 54.000 -0.044 0.000 0.830 399 D CB 1.334 42.108 40.800 -0.043 0.000 1.109 399 D HN 0.693 nan 8.370 nan 0.000 0.496 400 L N 2.257 123.462 121.223 -0.030 0.000 3.122 400 L HA 0.205 4.545 4.340 -0.001 0.000 0.274 400 L C 0.494 177.360 176.870 -0.007 0.000 1.222 400 L CA -0.302 54.525 54.840 -0.022 0.000 1.028 400 L CB 0.449 42.492 42.059 -0.027 0.000 1.386 400 L HN 0.205 nan 8.230 nan 0.000 0.578 401 S N 0.961 116.668 115.700 0.011 0.000 2.561 401 S HA -0.083 4.387 4.470 -0.001 0.000 0.294 401 S C 0.956 175.566 174.600 0.018 0.000 1.294 401 S CA 0.175 58.400 58.200 0.041 0.000 1.055 401 S CB 0.129 63.401 63.200 0.120 0.000 0.819 401 S HN 0.531 nan 8.310 nan 0.000 0.503 402 N N 1.828 120.532 118.700 0.008 0.000 2.725 402 N HA -0.177 4.562 4.740 -0.001 0.000 0.251 402 N C -0.643 174.868 175.510 0.001 0.000 1.031 402 N CA 0.517 53.566 53.050 -0.002 0.000 0.720 402 N CB -1.218 37.272 38.487 0.005 0.000 0.930 402 N HN 0.600 nan 8.380 nan 0.000 0.543 403 N N -1.015 117.685 118.700 0.000 0.000 2.725 403 N HA 0.377 5.117 4.740 -0.001 0.000 0.312 403 N C -0.153 175.366 175.510 0.014 0.000 1.295 403 N CA -0.258 52.795 53.050 0.005 0.000 0.914 403 N CB 0.488 38.975 38.487 0.000 0.000 1.177 403 N HN 0.143 nan 8.380 nan 0.000 0.601 404 C N 1.646 120.956 119.300 0.017 0.000 2.694 404 C HA 0.436 4.896 4.460 -0.001 0.000 0.517 404 C C 0.231 175.239 174.990 0.029 0.000 1.184 404 C CA -0.648 58.386 59.018 0.026 0.000 1.476 404 C CB -1.924 25.829 27.740 0.021 0.000 1.743 404 C HN 0.154 nan 8.230 nan 0.000 0.612 405 V N 1.570 121.505 119.914 0.036 0.000 2.495 405 V HA 0.862 4.982 4.120 -0.001 0.000 0.298 405 V C 0.689 176.829 176.094 0.077 0.000 1.031 405 V CA 0.153 62.478 62.300 0.043 0.000 0.871 405 V CB 1.786 33.628 31.823 0.032 0.000 0.988 405 V HN 0.747 nan 8.190 nan 0.000 0.432 406 G N 2.111 110.957 108.800 0.078 0.000 3.175 406 G HA2 0.451 4.411 3.960 -0.001 0.000 0.255 406 G HA3 0.451 4.411 3.960 -0.001 0.000 0.255 406 G C 0.055 175.016 174.900 0.102 0.000 1.352 406 G CA -0.263 44.906 45.100 0.114 0.000 1.037 406 G HN 0.565 nan 8.290 nan 0.000 0.556 407 D N 0.663 121.133 120.400 0.117 0.000 2.160 407 D HA -0.129 4.510 4.640 -0.001 0.000 0.189 407 D C 0.005 176.309 176.300 0.007 0.000 1.003 407 D CA 2.272 56.316 54.000 0.072 0.000 0.846 407 D CB -0.630 40.216 40.800 0.077 0.000 0.949 407 D HN 0.224 nan 8.370 nan 0.000 0.446 408 P HA -0.158 nan 4.420 nan 0.000 0.214 408 P C 1.759 179.045 177.300 -0.022 0.000 1.163 408 P CA 2.145 65.241 63.100 -0.008 0.000 0.889 408 P CB -0.338 31.363 31.700 0.002 0.000 0.790 409 G N 0.467 109.260 108.800 -0.012 0.000 2.514 409 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.217 409 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.217 409 G C 1.799 176.669 174.900 -0.050 0.000 1.198 409 G CA 1.703 46.790 45.100 -0.022 0.000 0.780 409 G HN 0.186 nan 8.290 nan 0.000 0.565 410 V N 1.122 120.997 119.914 -0.065 0.000 2.287 410 V HA -0.198 3.922 4.120 -0.001 0.000 0.248 410 V C 2.936 178.932 176.094 -0.163 0.000 1.053 410 V CA 1.754 63.968 62.300 -0.143 0.000 1.027 410 V CB -0.691 30.987 31.823 -0.242 0.000 0.646 410 V HN 0.353 nan 8.190 nan 0.000 0.447 411 L N -0.543 120.599 121.223 -0.135 0.000 2.043 411 L HA -0.314 4.026 4.340 -0.001 0.000 0.212 411 L C 2.777 179.591 176.870 -0.093 0.000 1.075 411 L CA 1.909 56.678 54.840 -0.120 0.000 0.752 411 L CB -0.605 41.404 42.059 -0.084 0.000 0.891 411 L HN 0.404 nan 8.230 nan 0.000 0.432 412 Q N -0.371 119.385 119.800 -0.073 0.000 2.050 412 Q HA -0.213 4.127 4.340 -0.001 0.000 0.202 412 Q C 2.375 178.334 176.000 -0.068 0.000 0.980 412 Q CA 1.426 57.194 55.803 -0.059 0.000 0.840 412 Q CB -0.216 28.495 28.738 -0.045 0.000 0.898 412 Q HN 0.492 nan 8.270 nan 0.000 0.424 413 L N 0.405 121.580 121.223 -0.081 0.000 2.013 413 L HA -0.258 4.082 4.340 -0.001 0.000 0.212 413 L C 2.356 179.169 176.870 -0.094 0.000 1.073 413 L CA 1.160 55.949 54.840 -0.085 0.000 0.753 413 L CB -0.621 41.378 42.059 -0.101 0.000 0.890 413 L HN 0.317 nan 8.230 nan 0.000 0.432 414 L N -0.570 120.582 121.223 -0.118 0.000 2.042 414 L HA -0.159 4.180 4.340 -0.001 0.000 0.210 414 L C 2.731 179.552 176.870 -0.082 0.000 1.076 414 L CA 1.416 56.187 54.840 -0.115 0.000 0.749 414 L CB -1.392 40.580 42.059 -0.145 0.000 0.893 414 L HN 0.351 nan 8.230 nan 0.000 0.432 415 G N -0.595 108.162 108.800 -0.072 0.000 2.476 415 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.218 415 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.218 415 G C 1.760 176.631 174.900 -0.048 0.000 1.164 415 G CA 1.085 46.152 45.100 -0.055 0.000 0.768 415 G HN 0.339 nan 8.290 nan 0.000 0.560 416 S N 0.324 115.995 115.700 -0.049 0.000 2.368 416 S HA -0.009 4.460 4.470 -0.001 0.000 0.225 416 S C 2.289 176.864 174.600 -0.043 0.000 1.030 416 S CA 0.908 59.083 58.200 -0.042 0.000 0.999 416 S CB -0.222 62.953 63.200 -0.043 0.000 0.844 416 S HN 0.328 nan 8.310 nan 0.000 0.459 417 L N 1.111 122.303 121.223 -0.052 0.000 2.291 417 L HA -0.012 4.328 4.340 -0.001 0.000 0.214 417 L C 2.102 178.946 176.870 -0.044 0.000 1.120 417 L CA 0.914 55.724 54.840 -0.050 0.000 0.799 417 L CB -0.473 41.548 42.059 -0.062 0.000 0.925 417 L HN 0.305 nan 8.230 nan 0.000 0.446 418 E N -0.349 119.825 120.200 -0.044 0.000 2.478 418 E HA -0.070 4.279 4.350 -0.001 0.000 0.198 418 E C 0.276 176.858 176.600 -0.029 0.000 1.046 418 E CA 0.073 56.450 56.400 -0.037 0.000 0.870 418 E CB 0.158 29.834 29.700 -0.039 0.000 0.818 418 E HN 0.432 nan 8.360 nan 0.000 0.527 419 Q N 0.138 119.921 119.800 -0.029 0.000 2.340 419 Q HA 0.083 4.423 4.340 -0.001 0.000 0.249 419 Q C -1.764 174.224 176.000 -0.020 0.000 0.957 419 Q CA -1.819 53.970 55.803 -0.023 0.000 0.882 419 Q CB 0.352 29.076 28.738 -0.023 0.000 1.235 419 Q HN -0.043 nan 8.270 nan 0.000 0.439 420 P HA -0.042 nan 4.420 nan 0.000 0.222 420 P C 1.055 178.346 177.300 -0.014 0.000 1.153 420 P CA 1.121 64.213 63.100 -0.014 0.000 0.798 420 P CB 0.265 31.957 31.700 -0.012 0.000 0.796 421 G N -0.591 108.200 108.800 -0.014 0.000 2.443 421 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.219 421 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.219 421 G C 0.421 175.313 174.900 -0.015 0.000 1.131 421 G CA 0.039 45.131 45.100 -0.013 0.000 0.775 421 G HN 0.403 nan 8.290 nan 0.000 0.547 422 C N 1.750 121.039 119.300 -0.018 0.000 2.638 422 C HA 0.581 5.041 4.460 -0.001 0.000 0.410 422 C C 1.512 176.491 174.990 -0.019 0.000 1.404 422 C CA -0.096 58.910 59.018 -0.020 0.000 1.651 422 C CB -0.129 27.596 27.740 -0.025 0.000 2.495 422 C HN 0.455 nan 8.230 nan 0.000 0.606 423 A N 5.812 128.621 122.820 -0.017 0.000 2.594 423 A HA 0.380 4.700 4.320 -0.001 0.000 0.287 423 A C 0.121 177.696 177.584 -0.016 0.000 1.227 423 A CA -0.332 51.696 52.037 -0.015 0.000 0.952 423 A CB -0.207 18.786 19.000 -0.011 0.000 1.161 423 A HN 0.887 nan 8.150 nan 0.000 0.524 424 L N 0.277 121.488 121.223 -0.021 0.000 2.455 424 L HA 0.219 4.559 4.340 -0.001 0.000 0.272 424 L C 0.844 177.701 176.870 -0.022 0.000 1.174 424 L CA 0.762 55.588 54.840 -0.023 0.000 0.869 424 L CB 0.548 42.589 42.059 -0.030 0.000 1.130 424 L HN 0.420 nan 8.230 nan 0.000 0.474 425 E N 2.783 122.972 120.200 -0.018 0.000 2.481 425 E HA 0.133 4.482 4.350 -0.001 0.000 0.198 425 E C -0.459 176.129 176.600 -0.020 0.000 1.027 425 E CA 0.077 56.467 56.400 -0.016 0.000 0.900 425 E CB 0.441 30.136 29.700 -0.008 0.000 0.993 425 E HN 0.615 nan 8.360 nan 0.000 0.482 426 Q N 0.945 120.728 119.800 -0.028 0.000 2.429 426 Q HA 0.267 4.607 4.340 -0.001 0.000 0.247 426 Q C -2.246 173.726 176.000 -0.047 0.000 0.915 426 Q CA -0.475 55.306 55.803 -0.036 0.000 0.971 426 Q CB 1.310 30.032 28.738 -0.027 0.000 1.468 426 Q HN 0.041 nan 8.270 nan 0.000 0.439 427 L N 4.542 125.728 121.223 -0.061 0.000 2.319 427 L HA 0.625 4.965 4.340 -0.001 0.000 0.281 427 L C -1.646 175.168 176.870 -0.093 0.000 1.005 427 L CA -0.508 54.290 54.840 -0.070 0.000 0.828 427 L CB 1.819 43.833 42.059 -0.075 0.000 1.227 427 L HN 0.474 nan 8.230 nan 0.000 0.415 428 V N 7.296 127.150 119.914 -0.098 0.000 2.364 428 V HA 0.339 4.458 4.120 -0.001 0.000 0.272 428 V C 0.396 176.410 176.094 -0.133 0.000 1.036 428 V CA -0.186 62.018 62.300 -0.160 0.000 0.880 428 V CB 1.266 33.017 31.823 -0.119 0.000 0.991 428 V HN 0.658 nan 8.190 nan 0.000 0.460 429 L N 5.931 127.047 121.223 -0.178 0.000 3.083 429 L HA 0.400 4.739 4.340 -0.001 0.000 0.286 429 L C -0.499 176.338 176.870 -0.055 0.000 1.307 429 L CA -0.356 54.449 54.840 -0.058 0.000 0.897 429 L CB 0.112 42.206 42.059 0.059 0.000 1.306 429 L HN 0.519 nan 8.230 nan 0.000 0.569 430 Y N 0.096 120.378 120.300 -0.029 0.000 2.426 430 Y HA -0.026 4.524 4.550 -0.001 0.000 0.344 430 Y C 1.154 176.964 175.900 -0.149 0.000 1.256 430 Y CA -0.083 57.971 58.100 -0.076 0.000 1.451 430 Y CB 0.279 38.710 38.460 -0.048 0.000 1.342 430 Y HN 0.321 nan 8.280 nan 0.000 0.600 431 D N -0.006 120.366 120.400 -0.047 0.000 2.751 431 D HA -0.173 4.467 4.640 -0.001 0.000 0.233 431 D C -0.746 175.256 176.300 -0.497 0.000 1.149 431 D CA 1.134 54.988 54.000 -0.243 0.000 0.682 431 D CB -1.687 39.085 40.800 -0.047 0.000 1.068 431 D HN 0.492 nan 8.370 nan 0.000 0.429 432 T N -0.186 113.944 114.554 -0.707 0.000 2.893 432 T HA 0.615 4.965 4.350 -0.001 0.000 0.293 432 T C -0.448 173.716 174.700 -0.894 0.000 1.027 432 T CA -0.613 61.173 62.100 -0.523 0.000 0.988 432 T CB 1.730 70.572 68.868 -0.044 0.000 1.043 432 T HN -0.046 nan 8.240 nan 0.000 0.461 433 Y N 0.366 120.667 120.300 0.002 0.000 2.602 433 Y HA 0.790 5.340 4.550 -0.000 0.000 0.342 433 Y C -0.798 175.165 175.900 0.105 0.000 1.029 433 Y CA -1.373 56.618 58.100 -0.181 0.000 1.080 433 Y CB 1.710 40.087 38.460 -0.139 0.000 1.284 433 Y HN 0.925 nan 8.280 nan 0.000 0.485 434 W N -1.314 120.092 121.300 0.176 0.000 3.153 434 W HA 0.615 5.276 4.660 0.001 0.000 0.316 434 W C -1.074 175.487 176.519 0.070 0.000 1.255 434 W CA -1.436 55.962 57.345 0.089 0.000 1.192 434 W CB -0.069 29.419 29.460 0.045 0.000 1.400 434 W HN 0.661 nan 8.180 nan 0.000 0.568 435 T N -1.558 113.198 114.554 0.338 0.000 2.802 435 T HA 0.125 4.474 4.350 -0.001 0.000 0.305 435 T C 0.774 175.625 174.700 0.252 0.000 1.053 435 T CA 0.495 62.719 62.100 0.207 0.000 1.058 435 T CB 1.090 70.042 68.868 0.139 0.000 0.988 435 T HN 0.682 nan 8.240 nan 0.000 0.539 436 E N 0.833 121.122 120.200 0.149 0.000 2.130 436 E HA -0.226 4.124 4.350 -0.001 0.000 0.196 436 E C 2.054 178.735 176.600 0.136 0.000 0.998 436 E CA 1.807 58.288 56.400 0.135 0.000 0.806 436 E CB -0.123 29.623 29.700 0.076 0.000 0.738 436 E HN 0.773 nan 8.360 nan 0.000 0.459 437 E N 0.396 120.660 120.200 0.107 0.000 2.038 437 E HA -0.168 4.181 4.350 -0.001 0.000 0.195 437 E C 2.197 178.830 176.600 0.055 0.000 1.000 437 E CA 1.116 57.557 56.400 0.068 0.000 0.803 437 E CB -0.307 29.421 29.700 0.047 0.000 0.750 437 E HN 0.024 nan 8.360 nan 0.000 0.448 438 V N 1.124 121.078 119.914 0.066 0.000 2.287 438 V HA -0.298 3.822 4.120 -0.001 0.000 0.248 438 V C 2.398 178.423 176.094 -0.115 0.000 1.053 438 V CA 2.147 64.401 62.300 -0.076 0.000 1.027 438 V CB -0.523 31.201 31.823 -0.165 0.000 0.646 438 V HN 0.266 nan 8.190 nan 0.000 0.447 439 E N 0.579 120.879 120.200 0.166 0.000 2.058 439 E HA -0.265 4.085 4.350 -0.001 0.000 0.194 439 E C 1.849 178.521 176.600 0.119 0.000 0.997 439 E CA 1.977 58.562 56.400 0.308 0.000 0.801 439 E CB -0.413 29.573 29.700 0.476 0.000 0.746 439 E HN 0.571 nan 8.360 nan 0.000 0.450 440 D N -0.587 119.865 120.400 0.086 0.000 2.144 440 D HA -0.113 4.527 4.640 -0.001 0.000 0.199 440 D C 2.013 178.318 176.300 0.008 0.000 0.984 440 D CA 0.802 54.829 54.000 0.046 0.000 0.834 440 D CB -0.099 40.726 40.800 0.040 0.000 0.955 440 D HN 0.031 nan 8.370 nan 0.000 0.465 441 R N 0.233 120.720 120.500 -0.021 0.000 2.092 441 R HA -0.041 4.298 4.340 -0.001 0.000 0.231 441 R C 2.104 178.361 176.300 -0.071 0.000 1.119 441 R CA 0.311 56.380 56.100 -0.051 0.000 0.970 441 R CB -0.771 29.483 30.300 -0.078 0.000 0.864 441 R HN 0.175 nan 8.270 nan 0.000 0.440 442 L N 0.597 121.763 121.223 -0.095 0.000 2.027 442 L HA -0.129 4.211 4.340 -0.001 0.000 0.206 442 L C 1.860 178.709 176.870 -0.035 0.000 1.074 442 L CA 1.800 56.576 54.840 -0.107 0.000 0.745 442 L CB -0.425 41.540 42.059 -0.157 0.000 0.898 442 L HN 0.189 nan 8.230 nan 0.000 0.433 443 Q N -0.824 118.981 119.800 0.008 0.000 2.170 443 Q HA -0.180 4.159 4.340 -0.001 0.000 0.203 443 Q C 2.179 178.181 176.000 0.004 0.000 0.976 443 Q CA 1.428 57.244 55.803 0.022 0.000 0.858 443 Q CB -0.243 28.519 28.738 0.041 0.000 0.907 443 Q HN 0.723 nan 8.270 nan 0.000 0.433 444 A N 0.813 123.629 122.820 -0.007 0.000 1.841 444 A HA -0.195 4.125 4.320 -0.001 0.000 0.214 444 A C 2.016 179.588 177.584 -0.019 0.000 1.195 444 A CA 1.305 53.335 52.037 -0.011 0.000 0.611 444 A CB -0.846 18.145 19.000 -0.016 0.000 0.835 444 A HN 0.404 nan 8.150 nan 0.000 0.443 445 L N 0.505 121.709 121.223 -0.032 0.000 2.051 445 L HA -0.224 4.115 4.340 -0.001 0.000 0.214 445 L C 1.901 178.754 176.870 -0.028 0.000 1.076 445 L CA 2.623 57.441 54.840 -0.037 0.000 0.758 445 L CB -0.722 41.302 42.059 -0.059 0.000 0.890 445 L HN 0.551 nan 8.230 nan 0.000 0.433 446 E N -0.935 119.252 120.200 -0.022 0.000 2.515 446 E HA -0.059 4.290 4.350 -0.001 0.000 0.201 446 E C 1.691 178.287 176.600 -0.006 0.000 1.071 446 E CA 0.528 56.921 56.400 -0.012 0.000 0.880 446 E CB -0.234 29.465 29.700 -0.003 0.000 0.828 446 E HN 0.739 nan 8.360 nan 0.000 0.540 447 G N -0.251 108.545 108.800 -0.007 0.000 2.833 447 G HA2 -0.034 3.926 3.960 -0.001 0.000 0.214 447 G HA3 -0.034 3.926 3.960 -0.001 0.000 0.214 447 G C 1.387 176.283 174.900 -0.006 0.000 1.075 447 G CA -0.197 44.901 45.100 -0.004 0.000 0.799 447 G HN 0.082 nan 8.290 nan 0.000 0.541 448 S N 0.114 115.807 115.700 -0.011 0.000 2.486 448 S HA 0.216 4.686 4.470 -0.001 0.000 0.220 448 S C 0.679 175.272 174.600 -0.012 0.000 1.011 448 S CA 0.346 58.539 58.200 -0.012 0.000 0.921 448 S CB 0.317 63.507 63.200 -0.015 0.000 0.785 448 S HN 0.218 nan 8.310 nan 0.000 0.517 449 K N 1.210 121.602 120.400 -0.013 0.000 2.723 449 K HA 0.273 4.592 4.320 -0.001 0.000 0.229 449 K C -2.717 173.876 176.600 -0.011 0.000 1.022 449 K CA -1.315 54.964 56.287 -0.013 0.000 1.045 449 K CB 1.963 34.452 32.500 -0.018 0.000 1.227 449 K HN -0.114 nan 8.250 nan 0.000 0.516 450 P HA -0.057 nan 4.420 nan 0.000 0.229 450 P C 0.863 178.160 177.300 -0.005 0.000 1.160 450 P CA 0.544 63.641 63.100 -0.005 0.000 0.777 450 P CB 0.368 32.067 31.700 -0.001 0.000 0.814 451 G N -0.010 108.786 108.800 -0.006 0.000 3.414 451 G HA2 0.322 4.282 3.960 -0.001 0.000 0.258 451 G HA3 0.322 4.282 3.960 -0.001 0.000 0.258 451 G C -0.364 174.530 174.900 -0.010 0.000 1.348 451 G CA 0.113 45.209 45.100 -0.006 0.000 1.319 451 G HN 0.283 nan 8.290 nan 0.000 0.555 452 L N -0.916 120.300 121.223 -0.012 0.000 2.611 452 L HA 0.734 5.074 4.340 -0.001 0.000 0.260 452 L C -1.588 175.270 176.870 -0.020 0.000 0.924 452 L CA -1.014 53.815 54.840 -0.019 0.000 0.901 452 L CB 1.749 43.793 42.059 -0.025 0.000 1.369 452 L HN 0.073 nan 8.230 nan 0.000 0.415 453 R N 3.343 123.829 120.500 -0.024 0.000 2.575 453 R HA 0.666 5.005 4.340 -0.001 0.000 0.293 453 R C -1.412 174.864 176.300 -0.040 0.000 0.983 453 R CA -0.600 55.486 56.100 -0.024 0.000 0.887 453 R CB 2.503 32.793 30.300 -0.017 0.000 1.184 453 R HN 0.362 nan 8.270 nan 0.000 0.445 454 V N 5.327 125.217 119.914 -0.040 0.000 2.304 454 V HA 0.328 4.448 4.120 -0.001 0.000 0.269 454 V C 0.339 176.404 176.094 -0.048 0.000 1.036 454 V CA -0.487 61.781 62.300 -0.053 0.000 0.840 454 V CB 0.370 32.158 31.823 -0.059 0.000 1.036 454 V HN 0.634 nan 8.190 nan 0.000 0.466 455 I N 4.749 125.252 120.570 -0.112 0.000 2.581 455 I HA 0.532 4.702 4.170 -0.001 0.000 0.288 455 I C 0.622 176.561 176.117 -0.297 0.000 1.047 455 I CA 0.484 61.661 61.300 -0.204 0.000 1.374 455 I CB 1.441 39.258 38.000 -0.305 0.000 1.423 455 I HN 0.790 nan 8.210 nan 0.000 0.549 456 S N 0.000 115.527 115.700 -0.289 0.000 2.498 456 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 456 S CA 0.000 58.075 58.200 -0.208 0.000 1.107 456 S CB 0.000 63.215 63.200 0.024 0.000 0.593 456 S HN 0.000 nan 8.310 nan 0.000 0.517