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 1xlt_1_H DATA FIRST_RESID 1 DATA SEQUENCE MKIAIPKERR PGEDRVAISP EVVKKLVGLG FEVIVEQGAG VGASITDDAL DATA SEQUENCE TAAGATIAST AAQALSQADV VWKVQRPMTA EEGTDEVALI KEGAVLMCHL DATA SEQUENCE GALTNRPVVE ALTKRKITAY AMELMPRISR AQSMDILSSQ SNLAGYRAVI DATA SEQUENCE DGAYEFARAF PMMMTAAGTV PPARVLVFGV GVAGLQAIAT AKRLGAVVMA DATA SEQUENCE TDVRAATKEQ VESLGGKFIT XXXXXXXXXX XXXXXXXXXX EEFRKKQAEA DATA SEQUENCE VLKELVKTDI AITTALIPGK PAPVLITEEM VTKMKPGSVI IDLAVEAGGN DATA SEQUENCE CPLSEPGKIV VKHGVKIVGH TNVPSRVAAD ASPLFAKNLL NFLTPHVDKD DATA SEQUENCE TKTLVMKLED ETVSGTCVTR DGAIVHP 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 0.000 176.310 176.300 0.016 0.000 1.140 1 M CA 0.000 55.209 55.300 -0.151 0.000 0.988 1 M CB 0.000 32.373 32.600 -0.379 0.000 1.302 2 K N 2.203 122.623 120.400 0.034 0.000 2.397 2 K HA 0.547 4.867 4.320 -0.000 0.000 0.265 2 K C -0.165 176.487 176.600 0.088 0.000 0.982 2 K CA 0.086 56.414 56.287 0.067 0.000 0.931 2 K CB 1.173 33.691 32.500 0.029 0.000 0.943 2 K HN 0.713 nan 8.250 nan 0.000 0.501 3 I N -0.483 120.115 120.570 0.046 0.000 2.731 3 I HA 0.386 4.556 4.170 -0.000 0.000 0.289 3 I C -1.647 174.433 176.117 -0.062 0.000 1.399 3 I CA -0.310 60.940 61.300 -0.084 0.000 1.048 3 I CB 1.722 39.578 38.000 -0.240 0.000 1.345 3 I HN 0.679 nan 8.210 nan 0.000 0.425 4 A N 6.560 129.337 122.820 -0.072 0.000 2.486 4 A HA 0.978 5.298 4.320 -0.000 0.000 0.289 4 A C -1.675 175.971 177.584 0.103 0.000 1.176 4 A CA -0.529 51.523 52.037 0.025 0.000 0.757 4 A CB 1.740 20.760 19.000 0.034 0.000 1.337 4 A HN 0.503 nan 8.150 nan 0.000 0.423 5 I N 0.762 121.427 120.570 0.157 0.000 2.610 5 I HA 0.500 4.670 4.170 -0.000 0.000 0.289 5 I C -2.606 173.587 176.117 0.127 0.000 1.163 5 I CA -1.170 60.262 61.300 0.219 0.000 1.044 5 I CB 2.736 40.907 38.000 0.285 0.000 1.251 5 I HN 0.499 nan 8.210 nan 0.000 0.424 6 P HA 0.349 nan 4.420 nan 0.000 0.292 6 P C -1.441 175.888 177.300 0.049 0.000 1.304 6 P CA -0.957 62.183 63.100 0.068 0.000 0.848 6 P CB 1.654 33.391 31.700 0.062 0.000 1.260 7 K N 1.096 121.514 120.400 0.031 0.000 2.257 7 K HA 0.203 4.523 4.320 -0.000 0.000 0.270 7 K C -0.384 176.221 176.600 0.008 0.000 1.098 7 K CA -0.275 56.020 56.287 0.013 0.000 0.943 7 K CB -0.069 32.435 32.500 0.008 0.000 1.316 7 K HN 0.197 nan 8.250 nan 0.000 0.447 8 E N 2.115 122.317 120.200 0.003 0.000 2.485 8 E HA -0.117 4.232 4.350 -0.000 0.000 0.266 8 E C 0.198 176.793 176.600 -0.008 0.000 1.090 8 E CA 0.574 56.973 56.400 -0.001 0.000 0.987 8 E CB 0.435 30.125 29.700 -0.017 0.000 0.974 8 E HN 0.472 nan 8.360 nan 0.000 0.455 9 R N 0.623 121.121 120.500 -0.004 0.000 2.509 9 R HA 0.170 4.510 4.340 -0.000 0.000 0.297 9 R C -0.224 176.072 176.300 -0.008 0.000 0.951 9 R CA -0.360 55.736 56.100 -0.006 0.000 1.103 9 R CB 0.483 30.784 30.300 0.001 0.000 1.283 9 R HN 0.222 nan 8.270 nan 0.000 0.534 10 R N 1.385 121.880 120.500 -0.010 0.000 2.802 10 R HA -0.007 4.333 4.340 -0.000 0.000 0.264 10 R C -2.100 174.191 176.300 -0.015 0.000 0.996 10 R CA -1.050 55.044 56.100 -0.010 0.000 1.123 10 R CB -0.469 29.823 30.300 -0.013 0.000 0.996 10 R HN -0.118 nan 8.270 nan 0.000 0.444 11 P HA -0.087 nan 4.420 nan 0.000 0.242 11 P C -0.035 177.254 177.300 -0.019 0.000 1.116 11 P CA 1.162 64.256 63.100 -0.011 0.000 0.954 11 P CB -0.220 31.476 31.700 -0.006 0.000 0.908 12 G N 2.650 111.438 108.800 -0.021 0.000 2.354 12 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.278 12 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.278 12 G C -0.217 174.656 174.900 -0.044 0.000 0.953 12 G CA -0.227 44.855 45.100 -0.029 0.000 1.346 12 G HN 0.571 nan 8.290 nan 0.000 0.467 13 E N 0.755 120.925 120.200 -0.050 0.000 2.207 13 E HA 0.533 4.883 4.350 -0.000 0.000 0.250 13 E C 0.465 177.023 176.600 -0.072 0.000 0.890 13 E CA -0.846 55.511 56.400 -0.071 0.000 0.749 13 E CB 0.765 30.423 29.700 -0.070 0.000 1.193 13 E HN 0.135 nan 8.360 nan 0.000 0.423 14 D N 2.807 123.159 120.400 -0.080 0.000 2.301 14 D HA 0.019 4.659 4.640 -0.000 0.000 0.206 14 D C 0.377 176.626 176.300 -0.085 0.000 0.979 14 D CA 0.362 54.319 54.000 -0.072 0.000 0.874 14 D CB 0.111 40.870 40.800 -0.067 0.000 0.968 14 D HN 0.520 nan 8.370 nan 0.000 0.510 15 R N 0.292 120.723 120.500 -0.116 0.000 2.615 15 R HA 0.466 4.806 4.340 -0.000 0.000 0.270 15 R C 0.050 176.260 176.300 -0.150 0.000 1.081 15 R CA -0.483 55.533 56.100 -0.139 0.000 1.154 15 R CB 1.085 31.274 30.300 -0.186 0.000 1.063 15 R HN -0.108 nan 8.270 nan 0.000 0.519 16 V N -0.161 119.674 119.914 -0.132 0.000 3.221 16 V HA 0.681 4.801 4.120 -0.000 0.000 0.305 16 V C -0.535 175.506 176.094 -0.088 0.000 1.263 16 V CA -0.143 62.103 62.300 -0.089 0.000 1.048 16 V CB 2.034 33.832 31.823 -0.043 0.000 1.203 16 V HN 0.966 nan 8.190 nan 0.000 0.476 17 A N 1.272 124.075 122.820 -0.028 0.000 2.568 17 A HA 0.635 4.955 4.320 -0.000 0.000 0.287 17 A C -0.339 177.153 177.584 -0.152 0.000 0.967 17 A CA 0.010 52.037 52.037 -0.017 0.000 1.004 17 A CB -0.088 18.930 19.000 0.031 0.000 1.233 17 A HN 0.666 nan 8.150 nan 0.000 0.513 18 I N -1.192 119.337 120.570 -0.069 0.000 3.102 18 I HA 0.665 4.835 4.170 -0.000 0.000 0.310 18 I C -1.457 174.639 176.117 -0.034 0.000 1.246 18 I CA -0.655 60.614 61.300 -0.051 0.000 0.979 18 I CB 2.263 40.289 38.000 0.043 0.000 1.267 18 I HN 0.038 nan 8.210 nan 0.000 0.451 19 S N 4.618 120.304 115.700 -0.024 0.000 2.572 19 S HA 0.525 4.994 4.470 -0.000 0.000 0.274 19 S C -2.392 172.208 174.600 0.000 0.000 1.150 19 S CA -1.253 56.937 58.200 -0.017 0.000 0.944 19 S CB 1.987 65.168 63.200 -0.032 0.000 1.071 19 S HN 0.425 nan 8.310 nan 0.000 0.479 20 P HA -0.173 nan 4.420 nan 0.000 0.220 20 P C 0.826 178.134 177.300 0.013 0.000 1.155 20 P CA 1.580 64.687 63.100 0.011 0.000 0.880 20 P CB 0.169 31.873 31.700 0.006 0.000 0.790 21 E N -1.332 118.871 120.200 0.005 0.000 2.285 21 E HA -0.050 4.300 4.350 -0.000 0.000 0.194 21 E C 1.893 178.500 176.600 0.011 0.000 0.997 21 E CA 0.354 56.758 56.400 0.007 0.000 0.845 21 E CB -0.302 29.398 29.700 0.000 0.000 0.782 21 E HN 0.052 nan 8.360 nan 0.000 0.491 22 V N 0.680 120.596 119.914 0.004 0.000 2.453 22 V HA -0.208 3.911 4.120 -0.000 0.000 0.247 22 V C 2.219 178.335 176.094 0.036 0.000 1.048 22 V CA 1.076 63.379 62.300 0.005 0.000 1.049 22 V CB -0.051 31.754 31.823 -0.030 0.000 0.672 22 V HN 0.125 nan 8.190 nan 0.000 0.457 23 V N 0.359 120.299 119.914 0.043 0.000 2.233 23 V HA -0.358 3.762 4.120 -0.000 0.000 0.247 23 V C 2.439 178.569 176.094 0.060 0.000 1.050 23 V CA 2.603 64.940 62.300 0.062 0.000 1.010 23 V CB -0.819 31.038 31.823 0.056 0.000 0.637 23 V HN 0.602 nan 8.190 nan 0.000 0.444 24 K N 0.494 120.922 120.400 0.047 0.000 2.089 24 K HA -0.300 4.020 4.320 -0.000 0.000 0.210 24 K C 1.989 178.623 176.600 0.057 0.000 1.048 24 K CA 2.208 58.523 56.287 0.047 0.000 0.926 24 K CB -0.204 32.316 32.500 0.034 0.000 0.714 24 K HN 0.245 nan 8.250 nan 0.000 0.448 25 K N 0.182 120.613 120.400 0.052 0.000 2.589 25 K HA -0.006 4.314 4.320 -0.000 0.000 0.192 25 K C 1.137 177.787 176.600 0.082 0.000 1.029 25 K CA 0.226 56.548 56.287 0.058 0.000 1.031 25 K CB 0.184 32.709 32.500 0.042 0.000 0.821 25 K HN 0.122 nan 8.250 nan 0.000 0.502 26 L N -1.642 119.636 121.223 0.091 0.000 2.614 26 L HA 0.065 4.405 4.340 -0.000 0.000 0.185 26 L C 1.721 178.724 176.870 0.222 0.000 1.098 26 L CA 0.636 55.541 54.840 0.109 0.000 0.852 26 L CB -0.498 41.568 42.059 0.011 0.000 1.213 26 L HN 0.061 nan 8.230 nan 0.000 0.491 27 V N -2.177 117.831 119.914 0.157 0.000 2.720 27 V HA -0.023 4.097 4.120 -0.000 0.000 0.256 27 V C 1.899 178.063 176.094 0.117 0.000 1.082 27 V CA 1.737 64.124 62.300 0.145 0.000 1.101 27 V CB -1.681 30.198 31.823 0.094 0.000 0.693 27 V HN 0.391 nan 8.190 nan 0.000 0.479 28 G N 0.046 108.910 108.800 0.107 0.000 2.776 28 G HA2 0.076 4.036 3.960 -0.000 0.000 0.209 28 G HA3 0.076 4.036 3.960 -0.000 0.000 0.209 28 G C 0.821 175.775 174.900 0.091 0.000 1.145 28 G CA 0.582 45.731 45.100 0.081 0.000 0.791 28 G HN 0.563 nan 8.290 nan 0.000 0.530 29 L N -0.372 120.938 121.223 0.145 0.000 3.168 29 L HA 0.448 4.788 4.340 -0.000 0.000 0.277 29 L C 1.611 178.504 176.870 0.038 0.000 1.245 29 L CA 0.556 55.478 54.840 0.137 0.000 1.035 29 L CB 0.711 42.932 42.059 0.270 0.000 1.399 29 L HN 0.232 nan 8.230 nan 0.000 0.580 30 G N -0.760 108.056 108.800 0.026 0.000 2.420 30 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.221 30 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.221 30 G C 0.445 175.326 174.900 -0.033 0.000 1.117 30 G CA -0.276 44.787 45.100 -0.061 0.000 0.657 30 G HN 0.098 nan 8.290 nan 0.000 0.512 31 F N 2.463 122.406 119.950 -0.011 0.000 2.594 31 F HA 0.316 4.843 4.527 -0.000 0.000 0.384 31 F C 0.895 176.690 175.800 -0.008 0.000 1.060 31 F CA 0.905 58.894 58.000 -0.018 0.000 1.278 31 F CB 0.495 39.484 39.000 -0.019 0.000 0.977 31 F HN 0.023 nan 8.300 nan 0.000 0.576 32 E N 2.889 123.213 120.200 0.206 0.000 2.114 32 E HA 0.350 4.699 4.350 -0.000 0.000 0.266 32 E C -0.876 175.790 176.600 0.111 0.000 0.896 32 E CA -0.490 55.980 56.400 0.118 0.000 0.750 32 E CB 1.645 31.384 29.700 0.065 0.000 1.121 32 E HN 0.205 nan 8.360 nan 0.000 0.413 33 V N 4.220 124.190 119.914 0.094 0.000 2.427 33 V HA 0.419 4.539 4.120 -0.000 0.000 0.286 33 V C -0.009 176.123 176.094 0.062 0.000 1.034 33 V CA -0.720 61.624 62.300 0.074 0.000 0.893 33 V CB 1.274 33.146 31.823 0.082 0.000 0.982 33 V HN 0.475 nan 8.190 nan 0.000 0.452 34 I N 5.027 125.631 120.570 0.057 0.000 2.478 34 I HA 0.519 4.689 4.170 -0.000 0.000 0.287 34 I C -0.397 175.756 176.117 0.060 0.000 1.042 34 I CA -0.244 61.087 61.300 0.051 0.000 1.067 34 I CB 2.201 40.225 38.000 0.040 0.000 1.233 34 I HN 0.492 nan 8.210 nan 0.000 0.431 35 V N 3.151 123.100 119.914 0.059 0.000 2.555 35 V HA 0.601 4.721 4.120 -0.000 0.000 0.302 35 V C 0.130 176.253 176.094 0.048 0.000 1.038 35 V CA -0.992 61.347 62.300 0.064 0.000 0.887 35 V CB 1.507 33.370 31.823 0.067 0.000 0.991 35 V HN 0.778 nan 8.190 nan 0.000 0.434 36 E N 2.697 122.926 120.200 0.047 0.000 2.467 36 E HA 0.049 4.399 4.350 -0.000 0.000 0.264 36 E C 0.238 176.855 176.600 0.028 0.000 1.020 36 E CA -0.191 56.230 56.400 0.035 0.000 0.945 36 E CB 0.671 30.392 29.700 0.034 0.000 0.942 36 E HN 0.941 nan 8.360 nan 0.000 0.449 37 Q N 2.370 122.183 119.800 0.022 0.000 2.330 37 Q HA 0.184 4.524 4.340 -0.000 0.000 0.279 37 Q C 0.596 176.604 176.000 0.013 0.000 1.024 37 Q CA 0.430 56.243 55.803 0.017 0.000 0.900 37 Q CB 0.828 29.575 28.738 0.014 0.000 1.221 37 Q HN 0.735 nan 8.270 nan 0.000 0.396 38 G N 2.016 110.822 108.800 0.010 0.000 2.305 38 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.287 38 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.287 38 G C 0.549 175.451 174.900 0.003 0.000 1.036 38 G CA 0.357 45.460 45.100 0.005 0.000 0.887 38 G HN 1.217 nan 8.290 nan 0.000 0.505 39 A N -0.992 121.832 122.820 0.007 0.000 2.044 39 A HA 0.559 4.879 4.320 -0.000 0.000 0.213 39 A C 2.434 180.015 177.584 -0.005 0.000 1.169 39 A CA 1.686 53.726 52.037 0.005 0.000 0.724 39 A CB -0.079 18.932 19.000 0.019 0.000 0.840 39 A HN 1.394 nan 8.150 nan 0.000 0.463 40 G N -0.867 107.931 108.800 -0.003 0.000 2.595 40 G HA2 0.095 4.054 3.960 -0.000 0.000 0.213 40 G HA3 0.095 4.054 3.960 -0.000 0.000 0.213 40 G C 1.458 176.348 174.900 -0.017 0.000 1.141 40 G CA 0.868 45.962 45.100 -0.011 0.000 0.806 40 G HN 0.395 nan 8.290 nan 0.000 0.530 41 V N 2.037 121.944 119.914 -0.013 0.000 2.277 41 V HA -0.244 3.876 4.120 -0.000 0.000 0.255 41 V C 2.799 178.880 176.094 -0.023 0.000 1.074 41 V CA 3.195 65.486 62.300 -0.015 0.000 1.058 41 V CB -0.884 30.933 31.823 -0.011 0.000 0.656 41 V HN 0.349 nan 8.190 nan 0.000 0.449 42 G N -1.068 107.715 108.800 -0.027 0.000 2.475 42 G HA2 -0.136 3.823 3.960 -0.000 0.000 0.220 42 G HA3 -0.136 3.823 3.960 -0.000 0.000 0.220 42 G C 1.272 176.146 174.900 -0.043 0.000 1.125 42 G CA 0.846 45.924 45.100 -0.036 0.000 0.755 42 G HN 1.087 nan 8.290 nan 0.000 0.565 43 A N -0.219 122.576 122.820 -0.042 0.000 2.577 43 A HA 0.561 4.881 4.320 -0.000 0.000 0.280 43 A C 1.243 178.805 177.584 -0.036 0.000 1.331 43 A CA 0.760 52.769 52.037 -0.046 0.000 0.935 43 A CB -0.197 18.771 19.000 -0.053 0.000 1.082 43 A HN 0.669 nan 8.150 nan 0.000 0.525 44 S N -0.295 115.386 115.700 -0.031 0.000 3.631 44 S HA -0.132 4.338 4.470 -0.000 0.000 0.366 44 S C -0.087 174.501 174.600 -0.020 0.000 0.993 44 S CA 0.903 59.088 58.200 -0.025 0.000 1.167 44 S CB -1.445 61.739 63.200 -0.027 0.000 0.909 44 S HN 0.528 nan 8.310 nan 0.000 0.478 45 I N 2.567 123.126 120.570 -0.017 0.000 2.466 45 I HA 0.210 4.380 4.170 -0.000 0.000 0.279 45 I C 1.043 177.156 176.117 -0.006 0.000 1.033 45 I CA -0.306 60.987 61.300 -0.012 0.000 1.123 45 I CB 0.837 38.830 38.000 -0.011 0.000 1.237 45 I HN 0.405 nan 8.210 nan 0.000 0.460 46 T N 1.113 115.665 114.554 -0.004 0.000 2.928 46 T HA 0.089 4.439 4.350 -0.000 0.000 0.305 46 T C 0.994 175.697 174.700 0.004 0.000 1.035 46 T CA -0.381 61.718 62.100 -0.001 0.000 1.145 46 T CB 1.264 70.131 68.868 -0.001 0.000 0.963 46 T HN 0.421 nan 8.240 nan 0.000 0.545 47 D N 2.389 122.793 120.400 0.006 0.000 2.087 47 D HA -0.153 4.487 4.640 -0.000 0.000 0.192 47 D C 1.603 177.910 176.300 0.012 0.000 0.993 47 D CA 1.822 55.829 54.000 0.012 0.000 0.828 47 D CB -0.639 40.168 40.800 0.012 0.000 0.968 47 D HN 0.886 nan 8.370 nan 0.000 0.448 48 D N 0.495 120.901 120.400 0.009 0.000 2.170 48 D HA -0.197 4.443 4.640 -0.000 0.000 0.193 48 D C 1.856 178.162 176.300 0.010 0.000 1.004 48 D CA 2.113 56.119 54.000 0.009 0.000 0.860 48 D CB -0.078 40.726 40.800 0.007 0.000 0.931 48 D HN 0.164 nan 8.370 nan 0.000 0.448 49 A N -0.715 122.110 122.820 0.008 0.000 2.014 49 A HA -0.004 4.316 4.320 -0.000 0.000 0.218 49 A C 2.052 179.642 177.584 0.011 0.000 1.163 49 A CA 0.738 52.779 52.037 0.007 0.000 0.652 49 A CB -0.561 18.442 19.000 0.004 0.000 0.808 49 A HN 0.355 nan 8.150 nan 0.000 0.449 50 L N -0.303 120.928 121.223 0.014 0.000 2.056 50 L HA -0.075 4.265 4.340 -0.000 0.000 0.207 50 L C 2.564 179.449 176.870 0.025 0.000 1.078 50 L CA 2.547 57.399 54.840 0.020 0.000 0.749 50 L CB -0.944 41.129 42.059 0.024 0.000 0.901 50 L HN 0.369 nan 8.230 nan 0.000 0.433 51 T N -0.273 114.295 114.554 0.023 0.000 2.720 51 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 51 T C 1.780 176.493 174.700 0.023 0.000 1.037 51 T CA 1.232 63.347 62.100 0.024 0.000 1.144 51 T CB -0.542 68.338 68.868 0.021 0.000 0.864 51 T HN 0.455 nan 8.240 nan 0.000 0.444 52 A N 0.857 123.688 122.820 0.018 0.000 2.272 52 A HA 0.216 4.536 4.320 -0.000 0.000 0.213 52 A C 2.287 179.883 177.584 0.019 0.000 1.183 52 A CA 1.451 53.498 52.037 0.016 0.000 0.719 52 A CB -0.682 18.326 19.000 0.013 0.000 0.771 52 A HN 0.527 nan 8.150 nan 0.000 0.484 53 A N -2.480 120.354 122.820 0.023 0.000 2.115 53 A HA 0.470 4.790 4.320 -0.000 0.000 0.211 53 A C 1.632 179.235 177.584 0.033 0.000 1.169 53 A CA 1.276 53.329 52.037 0.027 0.000 0.787 53 A CB -0.037 18.980 19.000 0.028 0.000 0.858 53 A HN 1.595 nan 8.150 nan 0.000 0.474 54 G N -2.656 106.165 108.800 0.035 0.000 2.559 54 G HA2 0.348 4.308 3.960 -0.000 0.000 0.202 54 G HA3 0.348 4.308 3.960 -0.000 0.000 0.202 54 G C 0.268 175.195 174.900 0.046 0.000 0.992 54 G CA 0.155 45.279 45.100 0.040 0.000 0.764 54 G HN 1.246 nan 8.290 nan 0.000 0.525 55 A N -0.392 122.455 122.820 0.045 0.000 2.284 55 A HA 0.971 5.291 4.320 -0.000 0.000 0.317 55 A C -0.015 177.593 177.584 0.040 0.000 1.120 55 A CA 0.121 52.188 52.037 0.049 0.000 0.900 55 A CB 1.350 20.384 19.000 0.057 0.000 1.319 55 A HN 0.653 nan 8.150 nan 0.000 0.494 56 T N 0.732 115.310 114.554 0.039 0.000 2.916 56 T HA 0.467 4.817 4.350 -0.000 0.000 0.298 56 T C -0.442 174.278 174.700 0.033 0.000 1.031 56 T CA -0.151 61.968 62.100 0.032 0.000 0.993 56 T CB 0.891 69.776 68.868 0.028 0.000 1.045 56 T HN 0.453 nan 8.240 nan 0.000 0.454 57 I N 2.816 123.402 120.570 0.028 0.000 2.436 57 I HA 0.428 4.597 4.170 -0.000 0.000 0.289 57 I C 0.979 177.111 176.117 0.024 0.000 1.083 57 I CA -0.360 60.956 61.300 0.026 0.000 1.372 57 I CB 0.299 38.312 38.000 0.021 0.000 1.408 57 I HN 0.684 nan 8.210 nan 0.000 0.516 58 A N 4.559 127.395 122.820 0.027 0.000 2.336 58 A HA 0.613 4.933 4.320 -0.000 0.000 0.291 58 A C 0.774 178.371 177.584 0.021 0.000 1.266 58 A CA -0.310 51.742 52.037 0.024 0.000 0.891 58 A CB 0.816 19.832 19.000 0.027 0.000 1.366 58 A HN 0.613 nan 8.150 nan 0.000 0.507 59 S N -1.556 114.155 115.700 0.019 0.000 2.960 59 S HA 0.399 4.869 4.470 -0.000 0.000 0.256 59 S C -0.147 174.463 174.600 0.016 0.000 1.017 59 S CA 0.535 58.745 58.200 0.017 0.000 1.144 59 S CB 0.164 63.372 63.200 0.014 0.000 1.109 59 S HN 1.050 nan 8.310 nan 0.000 0.638 60 T N -0.592 113.973 114.554 0.019 0.000 2.686 60 T HA 0.480 4.830 4.350 -0.000 0.000 0.308 60 T C 0.321 175.034 174.700 0.021 0.000 1.667 60 T CA 0.233 62.344 62.100 0.018 0.000 0.987 60 T CB 0.420 69.296 68.868 0.015 0.000 1.652 60 T HN -0.069 nan 8.240 nan 0.000 0.496 61 A N 0.305 123.137 122.820 0.020 0.000 2.186 61 A HA 0.342 4.662 4.320 -0.000 0.000 0.219 61 A C 1.807 179.404 177.584 0.022 0.000 1.159 61 A CA 2.472 54.522 52.037 0.022 0.000 0.680 61 A CB -0.866 18.145 19.000 0.019 0.000 0.787 61 A HN 1.063 nan 8.150 nan 0.000 0.467 62 A N -2.222 120.610 122.820 0.020 0.000 2.042 62 A HA 0.180 4.499 4.320 -0.000 0.000 0.204 62 A C 1.858 179.453 177.584 0.019 0.000 1.712 62 A CA 0.541 52.589 52.037 0.018 0.000 0.890 62 A CB -0.241 18.768 19.000 0.015 0.000 1.176 62 A HN 0.238 nan 8.150 nan 0.000 0.573 63 Q N 0.352 120.162 119.800 0.017 0.000 2.234 63 Q HA -0.093 4.246 4.340 -0.000 0.000 0.206 63 Q C 1.887 177.900 176.000 0.021 0.000 0.980 63 Q CA 1.493 57.307 55.803 0.017 0.000 0.869 63 Q CB -0.527 28.220 28.738 0.016 0.000 0.912 63 Q HN 0.632 nan 8.270 nan 0.000 0.436 64 A N -0.918 121.917 122.820 0.024 0.000 2.251 64 A HA 0.136 4.456 4.320 -0.000 0.000 0.209 64 A C 1.343 178.946 177.584 0.032 0.000 1.187 64 A CA 0.385 52.439 52.037 0.030 0.000 0.823 64 A CB 0.133 19.152 19.000 0.033 0.000 0.846 64 A HN 0.193 nan 8.150 nan 0.000 0.486 65 L N -2.892 118.347 121.223 0.027 0.000 3.223 65 L HA 0.263 4.603 4.340 -0.000 0.000 0.168 65 L C 1.928 178.810 176.870 0.021 0.000 1.239 65 L CA 1.364 56.220 54.840 0.026 0.000 0.856 65 L CB -1.203 40.873 42.059 0.028 0.000 1.415 65 L HN 0.192 nan 8.230 nan 0.000 0.562 66 S N 0.690 116.401 115.700 0.019 0.000 4.152 66 S HA -0.333 4.137 4.470 -0.000 0.000 0.538 66 S C 0.969 175.578 174.600 0.014 0.000 1.066 66 S CA 2.158 60.368 58.200 0.015 0.000 3.499 66 S CB -1.478 61.730 63.200 0.014 0.000 2.223 66 S HN 0.656 nan 8.310 nan 0.000 0.462 67 Q N 2.280 122.088 119.800 0.013 0.000 2.634 67 Q HA 0.418 4.758 4.340 -0.000 0.000 0.222 67 Q C -0.102 175.905 176.000 0.011 0.000 1.004 67 Q CA 0.660 56.470 55.803 0.011 0.000 0.965 67 Q CB -1.064 27.680 28.738 0.010 0.000 1.586 67 Q HN 0.640 nan 8.270 nan 0.000 0.409 68 A N 1.634 124.461 122.820 0.011 0.000 2.807 68 A HA 0.119 4.439 4.320 -0.000 0.000 0.307 68 A C 0.590 178.176 177.584 0.004 0.000 1.532 68 A CA -0.539 51.502 52.037 0.007 0.000 1.215 68 A CB 0.046 19.051 19.000 0.009 0.000 1.127 68 A HN 0.328 nan 8.150 nan 0.000 0.543 69 D N 0.497 120.900 120.400 0.005 0.000 2.116 69 D HA -0.105 4.535 4.640 -0.000 0.000 0.193 69 D C 0.550 176.854 176.300 0.005 0.000 0.998 69 D CA 2.006 56.011 54.000 0.009 0.000 0.836 69 D CB 0.283 41.091 40.800 0.014 0.000 0.951 69 D HN 0.401 nan 8.370 nan 0.000 0.449 70 V N 0.289 120.188 119.914 -0.026 0.000 2.733 70 V HA 0.480 4.599 4.120 -0.000 0.000 0.306 70 V C -1.394 174.579 176.094 -0.201 0.000 1.084 70 V CA -0.626 61.623 62.300 -0.086 0.000 0.905 70 V CB 2.316 34.075 31.823 -0.106 0.000 1.010 70 V HN -0.141 nan 8.190 nan 0.000 0.424 71 V N 7.822 127.645 119.914 -0.152 0.000 2.925 71 V HA 0.932 5.052 4.120 -0.000 0.000 0.311 71 V C -1.629 174.481 176.094 0.028 0.000 1.104 71 V CA -0.272 61.949 62.300 -0.130 0.000 0.954 71 V CB 2.206 34.031 31.823 0.004 0.000 1.022 71 V HN 1.168 nan 8.190 nan 0.000 0.427 72 W N 4.773 126.107 121.300 0.056 0.000 3.029 72 W HA 0.917 5.577 4.660 -0.000 0.000 0.339 72 W C -0.668 175.904 176.519 0.089 0.000 1.198 72 W CA -1.361 56.028 57.345 0.073 0.000 1.148 72 W CB 0.635 30.126 29.460 0.052 0.000 1.451 72 W HN 0.778 nan 8.180 nan 0.000 0.564 73 K N -1.200 119.416 120.400 0.360 0.000 1.928 73 K HA 0.707 5.027 4.320 -0.000 0.000 0.251 73 K C -0.006 176.715 176.600 0.202 0.000 0.713 73 K CA -0.104 56.312 56.287 0.215 0.000 0.547 73 K CB 0.697 33.287 32.500 0.149 0.000 1.755 73 K HN 0.481 nan 8.250 nan 0.000 0.536 74 V N -2.340 117.597 119.914 0.039 0.000 2.988 74 V HA 0.266 4.386 4.120 -0.000 0.000 0.223 74 V C 0.156 176.254 176.094 0.005 0.000 1.144 74 V CA 0.076 62.297 62.300 -0.133 0.000 1.242 74 V CB -0.772 30.864 31.823 -0.311 0.000 1.073 74 V HN 0.597 nan 8.190 nan 0.000 0.508 75 Q N 1.855 121.654 119.800 -0.003 0.000 2.226 75 Q HA 0.434 4.774 4.340 -0.000 0.000 0.256 75 Q C -0.452 175.595 176.000 0.080 0.000 0.962 75 Q CA -1.094 54.744 55.803 0.059 0.000 0.887 75 Q CB 1.409 30.152 28.738 0.009 0.000 1.282 75 Q HN 0.599 nan 8.270 nan 0.000 0.449 76 R N 2.058 122.616 120.500 0.096 0.000 2.505 76 R HA -0.011 4.328 4.340 -0.000 0.000 0.274 76 R C -2.487 173.844 176.300 0.053 0.000 0.955 76 R CA -0.514 55.628 56.100 0.069 0.000 1.109 76 R CB -0.966 29.364 30.300 0.050 0.000 0.890 76 R HN 0.374 nan 8.270 nan 0.000 0.415 77 P HA -0.033 nan 4.420 nan 0.000 0.271 77 P C -0.116 177.203 177.300 0.032 0.000 1.238 77 P CA -0.031 63.096 63.100 0.044 0.000 0.794 77 P CB 0.506 32.235 31.700 0.049 0.000 0.959 78 M N 0.209 119.825 119.600 0.027 0.000 2.291 78 M HA 0.334 4.814 4.480 -0.000 0.000 0.324 78 M C 0.962 177.273 176.300 0.019 0.000 1.148 78 M CA 0.231 55.544 55.300 0.021 0.000 1.104 78 M CB 1.039 33.649 32.600 0.018 0.000 1.483 78 M HN 0.458 nan 8.290 nan 0.000 0.467 79 T N -2.107 112.456 114.554 0.016 0.000 2.804 79 T HA 0.685 5.035 4.350 -0.000 0.000 0.290 79 T C 0.473 175.180 174.700 0.012 0.000 1.099 79 T CA -0.488 61.620 62.100 0.014 0.000 1.011 79 T CB 1.390 70.266 68.868 0.013 0.000 1.291 79 T HN 0.607 nan 8.240 nan 0.000 0.523 80 A N -0.201 122.626 122.820 0.010 0.000 2.066 80 A HA 0.100 4.420 4.320 -0.000 0.000 0.218 80 A C 2.103 179.692 177.584 0.008 0.000 1.157 80 A CA 1.779 53.822 52.037 0.009 0.000 0.670 80 A CB -1.030 17.975 19.000 0.008 0.000 0.804 80 A HN 0.969 nan 8.150 nan 0.000 0.453 81 E N 1.248 121.453 120.200 0.008 0.000 2.028 81 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 81 E C 1.110 177.715 176.600 0.008 0.000 0.988 81 E CA 1.687 58.091 56.400 0.008 0.000 0.799 81 E CB -0.342 29.363 29.700 0.008 0.000 0.755 81 E HN 0.652 nan 8.360 nan 0.000 0.447 82 E N -0.097 120.108 120.200 0.009 0.000 2.296 82 E HA 0.319 4.669 4.350 -0.000 0.000 0.196 82 E C 0.425 177.030 176.600 0.008 0.000 1.143 82 E CA 0.087 56.492 56.400 0.009 0.000 1.145 82 E CB 0.317 30.024 29.700 0.011 0.000 1.215 82 E HN 0.445 nan 8.360 nan 0.000 0.447 83 G N 0.652 109.457 108.800 0.008 0.000 2.893 83 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.222 83 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.222 83 G C -0.016 174.889 174.900 0.008 0.000 1.345 83 G CA -0.485 44.619 45.100 0.007 0.000 1.129 83 G HN 0.196 nan 8.290 nan 0.000 0.560 84 T N 1.980 116.539 114.554 0.009 0.000 2.749 84 T HA 0.483 4.833 4.350 -0.000 0.000 0.295 84 T C 0.017 174.724 174.700 0.012 0.000 0.936 84 T CA 0.643 62.749 62.100 0.010 0.000 1.060 84 T CB 1.135 70.009 68.868 0.010 0.000 0.904 84 T HN 0.663 nan 8.240 nan 0.000 0.500 85 D N 2.393 122.800 120.400 0.012 0.000 2.488 85 D HA 0.015 4.655 4.640 -0.000 0.000 0.238 85 D C 0.948 177.258 176.300 0.016 0.000 1.138 85 D CA 0.617 54.625 54.000 0.013 0.000 0.873 85 D CB 0.721 41.528 40.800 0.012 0.000 1.183 85 D HN 0.678 nan 8.370 nan 0.000 0.458 86 E N 2.104 122.315 120.200 0.019 0.000 2.520 86 E HA -0.039 4.311 4.350 -0.000 0.000 0.201 86 E C 1.781 178.396 176.600 0.025 0.000 0.894 86 E CA -0.048 56.365 56.400 0.023 0.000 1.161 86 E CB 0.134 29.849 29.700 0.026 0.000 1.137 86 E HN 0.330 nan 8.360 nan 0.000 0.510 87 V N 1.768 121.697 119.914 0.026 0.000 2.277 87 V HA -0.285 3.835 4.120 -0.000 0.000 0.255 87 V C 1.657 177.766 176.094 0.024 0.000 1.074 87 V CA 2.411 64.727 62.300 0.027 0.000 1.058 87 V CB -0.554 31.284 31.823 0.024 0.000 0.656 87 V HN 0.358 nan 8.190 nan 0.000 0.449 88 A N -0.903 121.929 122.820 0.020 0.000 2.305 88 A HA 0.356 4.676 4.320 -0.000 0.000 0.236 88 A C 1.295 178.890 177.584 0.017 0.000 1.392 88 A CA 0.671 52.718 52.037 0.017 0.000 1.205 88 A CB -0.698 18.311 19.000 0.014 0.000 0.881 88 A HN 0.693 nan 8.150 nan 0.000 0.558 89 L N -1.070 120.165 121.223 0.020 0.000 2.993 89 L HA 0.269 4.609 4.340 -0.000 0.000 0.264 89 L C -0.179 176.704 176.870 0.022 0.000 1.154 89 L CA -0.212 54.640 54.840 0.020 0.000 0.972 89 L CB 0.179 42.252 42.059 0.022 0.000 1.373 89 L HN 0.513 nan 8.230 nan 0.000 0.564 90 I N -2.664 117.920 120.570 0.023 0.000 2.676 90 I HA 0.351 4.521 4.170 -0.000 0.000 0.309 90 I C 0.382 176.511 176.117 0.019 0.000 0.990 90 I CA -1.096 60.218 61.300 0.023 0.000 1.168 90 I CB 0.491 38.508 38.000 0.028 0.000 1.343 90 I HN -0.078 nan 8.210 nan 0.000 0.482 91 K N 2.742 123.152 120.400 0.017 0.000 2.524 91 K HA -0.007 4.313 4.320 -0.000 0.000 0.279 91 K C -0.099 176.510 176.600 0.015 0.000 0.993 91 K CA 0.082 56.378 56.287 0.014 0.000 1.030 91 K CB 0.389 32.897 32.500 0.012 0.000 0.891 91 K HN 0.878 nan 8.250 nan 0.000 0.488 92 E N 3.215 123.422 120.200 0.013 0.000 2.257 92 E HA 0.213 4.563 4.350 -0.000 0.000 0.278 92 E C 0.390 176.998 176.600 0.013 0.000 1.049 92 E CA -0.118 56.290 56.400 0.013 0.000 0.876 92 E CB 0.688 30.394 29.700 0.011 0.000 1.035 92 E HN 0.860 nan 8.360 nan 0.000 0.419 93 G N 1.970 110.779 108.800 0.015 0.000 2.154 93 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.186 93 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.186 93 G C 0.339 175.252 174.900 0.021 0.000 1.000 93 G CA -0.292 44.818 45.100 0.015 0.000 0.664 93 G HN 0.913 nan 8.290 nan 0.000 0.513 94 A N -0.669 122.165 122.820 0.024 0.000 2.366 94 A HA 0.730 5.050 4.320 -0.000 0.000 0.250 94 A C 0.777 178.389 177.584 0.046 0.000 1.099 94 A CA 0.649 52.704 52.037 0.030 0.000 0.794 94 A CB 0.630 19.647 19.000 0.028 0.000 1.056 94 A HN 1.250 nan 8.150 nan 0.000 0.499 95 V N 0.245 120.192 119.914 0.056 0.000 2.713 95 V HA 0.656 4.776 4.120 -0.000 0.000 0.307 95 V C 0.016 176.173 176.094 0.106 0.000 1.052 95 V CA -0.483 61.877 62.300 0.100 0.000 0.967 95 V CB 1.242 33.124 31.823 0.099 0.000 1.019 95 V HN 0.842 nan 8.190 nan 0.000 0.459 96 L N 3.893 125.230 121.223 0.190 0.000 2.434 96 L HA 0.769 5.109 4.340 -0.000 0.000 0.260 96 L C -1.398 175.665 176.870 0.320 0.000 0.983 96 L CA -0.483 54.476 54.840 0.198 0.000 0.820 96 L CB 2.196 44.343 42.059 0.146 0.000 1.361 96 L HN 0.601 nan 8.230 nan 0.000 0.410 97 M N 5.230 125.016 119.600 0.311 0.000 2.277 97 M HA 0.568 5.048 4.480 -0.000 0.000 0.282 97 M C -1.007 175.479 176.300 0.310 0.000 1.074 97 M CA -0.375 55.136 55.300 0.352 0.000 0.954 97 M CB 1.270 34.185 32.600 0.525 0.000 1.672 97 M HN 0.995 nan 8.290 nan 0.000 0.471 98 C N -0.429 118.996 119.300 0.208 0.000 3.010 98 C HA 0.356 4.816 4.460 -0.000 0.000 0.312 98 C C -0.700 174.417 174.990 0.211 0.000 1.329 98 C CA -1.074 58.091 59.018 0.245 0.000 1.214 98 C CB 0.998 28.902 27.740 0.274 0.000 1.367 98 C HN 1.009 nan 8.230 nan 0.000 0.434 99 H N 0.698 119.881 119.070 0.187 0.000 3.017 99 H HA 0.491 5.047 4.556 -0.000 0.000 0.276 99 H C 0.612 175.977 175.328 0.062 0.000 1.062 99 H CA 0.332 56.443 56.048 0.105 0.000 1.486 99 H CB 0.758 30.587 29.762 0.112 0.000 1.507 99 H HN 0.618 nan 8.280 nan 0.000 0.508 100 L N 4.171 125.330 121.223 -0.108 0.000 2.221 100 L HA 0.234 4.574 4.340 -0.000 0.000 0.202 100 L C 1.760 178.576 176.870 -0.090 0.000 1.074 100 L CA 1.585 56.389 54.840 -0.059 0.000 0.795 100 L CB -0.352 41.669 42.059 -0.063 0.000 0.960 100 L HN 1.024 nan 8.230 nan 0.000 0.458 101 G N -1.337 107.330 108.800 -0.222 0.000 2.198 101 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.257 101 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.257 101 G C 1.174 176.024 174.900 -0.083 0.000 1.042 101 G CA 0.833 45.848 45.100 -0.142 0.000 0.791 101 G HN 0.670 nan 8.290 nan 0.000 0.502 102 A N -0.505 122.252 122.820 -0.106 0.000 1.908 102 A HA 0.123 4.442 4.320 -0.000 0.000 0.218 102 A C 2.370 179.915 177.584 -0.065 0.000 1.181 102 A CA 2.046 54.035 52.037 -0.080 0.000 0.627 102 A CB -0.265 18.670 19.000 -0.108 0.000 0.818 102 A HN 1.049 nan 8.150 nan 0.000 0.445 103 L N 0.159 121.334 121.223 -0.080 0.000 2.456 103 L HA -0.171 4.169 4.340 -0.000 0.000 0.225 103 L C 2.345 179.201 176.870 -0.023 0.000 1.142 103 L CA 2.204 57.013 54.840 -0.051 0.000 0.796 103 L CB -0.880 41.147 42.059 -0.052 0.000 0.920 103 L HN 0.746 nan 8.230 nan 0.000 0.446 104 T N -7.638 106.905 114.554 -0.019 0.000 3.105 104 T HA 0.069 4.419 4.350 -0.000 0.000 0.257 104 T C 0.855 175.552 174.700 -0.003 0.000 0.949 104 T CA -0.303 61.794 62.100 -0.005 0.000 0.959 104 T CB -0.247 68.623 68.868 0.003 0.000 1.205 104 T HN 0.160 nan 8.240 nan 0.000 0.496 105 N N 1.396 120.092 118.700 -0.007 0.000 2.589 105 N HA 0.300 5.040 4.740 -0.000 0.000 0.232 105 N C 0.850 176.355 175.510 -0.008 0.000 1.015 105 N CA -0.518 52.530 53.050 -0.003 0.000 0.931 105 N CB 0.537 39.026 38.487 0.003 0.000 1.150 105 N HN 0.105 nan 8.380 nan 0.000 0.512 106 R N 2.109 122.606 120.500 -0.005 0.000 2.105 106 R HA 0.074 4.414 4.340 -0.000 0.000 0.214 106 R C -0.989 175.311 176.300 -0.001 0.000 1.091 106 R CA 0.554 56.651 56.100 -0.005 0.000 1.007 106 R CB -1.010 29.289 30.300 -0.001 0.000 0.912 106 R HN 0.465 nan 8.270 nan 0.000 0.450 107 P HA -0.100 nan 4.420 nan 0.000 0.226 107 P C 1.340 178.642 177.300 0.005 0.000 1.146 107 P CA 0.978 64.080 63.100 0.004 0.000 0.773 107 P CB 0.007 31.710 31.700 0.005 0.000 0.772 108 V N -4.440 115.476 119.914 0.004 0.000 2.725 108 V HA -0.047 4.073 4.120 -0.000 0.000 0.247 108 V C 2.052 178.149 176.094 0.005 0.000 1.058 108 V CA 0.948 63.252 62.300 0.006 0.000 1.080 108 V CB -1.302 30.526 31.823 0.009 0.000 0.713 108 V HN -0.023 nan 8.190 nan 0.000 0.465 109 V N 0.890 120.804 119.914 -0.000 0.000 2.490 109 V HA -0.237 3.883 4.120 -0.000 0.000 0.250 109 V C 2.634 178.729 176.094 0.001 0.000 1.061 109 V CA 2.710 65.008 62.300 -0.003 0.000 1.064 109 V CB -0.055 31.762 31.823 -0.011 0.000 0.670 109 V HN 0.802 nan 8.190 nan 0.000 0.461 110 E N -0.185 120.017 120.200 0.003 0.000 2.072 110 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 110 E C 2.224 178.828 176.600 0.006 0.000 0.985 110 E CA 1.230 57.633 56.400 0.004 0.000 0.801 110 E CB -0.319 29.384 29.700 0.005 0.000 0.750 110 E HN 0.672 nan 8.360 nan 0.000 0.452 111 A N 0.781 123.605 122.820 0.008 0.000 1.903 111 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 111 A C 2.028 179.619 177.584 0.011 0.000 1.191 111 A CA 1.738 53.781 52.037 0.010 0.000 0.638 111 A CB -0.602 18.405 19.000 0.012 0.000 0.823 111 A HN 0.261 nan 8.150 nan 0.000 0.451 112 L N -0.806 120.425 121.223 0.012 0.000 2.049 112 L HA -0.052 4.288 4.340 -0.000 0.000 0.203 112 L C 2.662 179.539 176.870 0.011 0.000 1.074 112 L CA 2.249 57.098 54.840 0.015 0.000 0.749 112 L CB -1.641 40.430 42.059 0.019 0.000 0.907 112 L HN 0.328 nan 8.230 nan 0.000 0.439 113 T N 0.223 114.781 114.554 0.006 0.000 2.624 113 T HA -0.293 4.057 4.350 -0.000 0.000 0.266 113 T C 1.220 175.923 174.700 0.005 0.000 1.050 113 T CA 1.582 63.684 62.100 0.003 0.000 1.163 113 T CB -0.473 68.395 68.868 0.001 0.000 0.861 113 T HN 0.292 nan 8.240 nan 0.000 0.443 114 K N 1.532 121.936 120.400 0.006 0.000 3.358 114 K HA 0.149 4.469 4.320 -0.000 0.000 0.297 114 K C 0.960 177.565 176.600 0.007 0.000 1.064 114 K CA 0.309 56.599 56.287 0.006 0.000 1.144 114 K CB 0.053 32.557 32.500 0.006 0.000 1.289 114 K HN 0.293 nan 8.250 nan 0.000 0.372 115 R N -0.167 120.338 120.500 0.008 0.000 2.395 115 R HA 0.039 4.379 4.340 -0.000 0.000 0.280 115 R C -0.669 175.637 176.300 0.010 0.000 0.742 115 R CA -0.167 55.938 56.100 0.010 0.000 0.969 115 R CB 0.518 30.825 30.300 0.012 0.000 1.679 115 R HN 0.135 nan 8.270 nan 0.000 0.480 116 K N 1.076 121.481 120.400 0.008 0.000 3.294 116 K HA -0.099 4.221 4.320 -0.000 0.000 0.277 116 K C -0.394 176.213 176.600 0.011 0.000 1.235 116 K CA 0.381 56.673 56.287 0.008 0.000 0.818 116 K CB -1.050 31.456 32.500 0.009 0.000 1.371 116 K HN 0.048 nan 8.250 nan 0.000 0.520 117 I N 1.019 121.595 120.570 0.010 0.000 2.532 117 I HA 0.121 4.291 4.170 -0.000 0.000 0.292 117 I C 0.982 177.099 176.117 -0.001 0.000 1.014 117 I CA 0.228 61.536 61.300 0.013 0.000 1.340 117 I CB 1.357 39.367 38.000 0.016 0.000 1.422 117 I HN 0.027 nan 8.210 nan 0.000 0.528 118 T N 5.176 119.734 114.554 0.007 0.000 3.250 118 T HA 0.528 4.878 4.350 -0.000 0.000 0.391 118 T C 0.180 174.846 174.700 -0.058 0.000 1.502 118 T CA -0.450 61.628 62.100 -0.036 0.000 1.320 118 T CB 0.583 69.471 68.868 0.033 0.000 1.102 118 T HN 0.697 nan 8.240 nan 0.000 0.610 119 A N 2.753 125.507 122.820 -0.109 0.000 2.327 119 A HA 0.749 5.069 4.320 -0.000 0.000 0.283 119 A C -1.067 176.408 177.584 -0.182 0.000 1.127 119 A CA -0.443 51.560 52.037 -0.057 0.000 0.810 119 A CB 0.409 19.399 19.000 -0.017 0.000 1.066 119 A HN 0.738 nan 8.150 nan 0.000 0.492 120 Y N 0.627 120.969 120.300 0.070 0.000 2.326 120 Y HA 0.523 5.073 4.550 -0.000 0.000 0.329 120 Y C 0.375 176.262 175.900 -0.021 0.000 0.973 120 Y CA -0.307 57.827 58.100 0.057 0.000 1.162 120 Y CB 2.128 40.677 38.460 0.148 0.000 1.147 120 Y HN 0.788 nan 8.280 nan 0.000 0.456 121 A N 4.027 126.884 122.820 0.061 0.000 2.316 121 A HA 0.462 4.781 4.320 -0.000 0.000 0.324 121 A C 0.167 177.696 177.584 -0.092 0.000 1.375 121 A CA -0.697 51.312 52.037 -0.047 0.000 0.882 121 A CB 0.167 19.093 19.000 -0.123 0.000 1.152 121 A HN 0.868 nan 8.150 nan 0.000 0.512 122 M N 1.526 121.048 119.600 -0.129 0.000 2.748 122 M HA -0.065 4.415 4.480 -0.000 0.000 0.241 122 M C 1.834 178.087 176.300 -0.079 0.000 1.080 122 M CA 0.758 55.953 55.300 -0.175 0.000 1.068 122 M CB -0.407 32.002 32.600 -0.318 0.000 1.536 122 M HN 0.814 nan 8.290 nan 0.000 0.540 123 E N -0.167 119.982 120.200 -0.086 0.000 2.526 123 E HA -0.105 4.245 4.350 -0.000 0.000 0.198 123 E C 1.181 177.758 176.600 -0.037 0.000 1.091 123 E CA 0.778 57.156 56.400 -0.036 0.000 0.880 123 E CB -0.291 29.260 29.700 -0.248 0.000 0.873 123 E HN 0.532 nan 8.360 nan 0.000 0.527 124 L N -0.600 120.593 121.223 -0.050 0.000 2.500 124 L HA 0.227 4.567 4.340 -0.000 0.000 0.219 124 L C 0.945 177.818 176.870 0.006 0.000 1.057 124 L CA -0.546 54.280 54.840 -0.023 0.000 0.854 124 L CB -0.142 41.898 42.059 -0.032 0.000 1.078 124 L HN 0.028 nan 8.230 nan 0.000 0.480 125 M N 2.909 122.506 119.600 -0.006 0.000 2.389 125 M HA -0.115 4.365 4.480 -0.000 0.000 0.520 125 M C -2.128 174.188 176.300 0.027 0.000 1.487 125 M CA -0.252 55.054 55.300 0.010 0.000 0.833 125 M CB -0.645 31.939 32.600 -0.026 0.000 1.933 125 M HN -0.209 nan 8.290 nan 0.000 0.531 126 P HA -0.059 nan 4.420 nan 0.000 0.256 126 P C -0.832 176.491 177.300 0.037 0.000 1.189 126 P CA 0.438 63.565 63.100 0.045 0.000 0.808 126 P CB 0.111 31.845 31.700 0.056 0.000 0.793 127 R N 4.833 125.352 120.500 0.031 0.000 2.457 127 R HA 0.183 4.523 4.340 -0.000 0.000 0.335 127 R C 0.990 177.305 176.300 0.026 0.000 1.003 127 R CA 0.366 56.481 56.100 0.026 0.000 1.003 127 R CB -0.615 29.700 30.300 0.025 0.000 0.950 127 R HN 0.572 nan 8.270 nan 0.000 0.428 128 I N -2.269 118.317 120.570 0.026 0.000 4.031 128 I HA 0.371 4.541 4.170 -0.000 0.000 0.263 128 I C 0.021 176.152 176.117 0.023 0.000 1.059 128 I CA -0.847 60.469 61.300 0.026 0.000 1.413 128 I CB 1.433 39.453 38.000 0.032 0.000 1.218 128 I HN 0.145 nan 8.210 nan 0.000 0.398 129 S N -0.578 115.136 115.700 0.024 0.000 2.891 129 S HA 0.317 4.787 4.470 -0.000 0.000 0.247 129 S C 1.624 176.239 174.600 0.025 0.000 1.063 129 S CA -0.192 58.021 58.200 0.021 0.000 0.857 129 S CB 0.005 63.216 63.200 0.018 0.000 0.800 129 S HN 0.428 nan 8.310 nan 0.000 0.540 130 R N 1.880 122.398 120.500 0.031 0.000 2.113 130 R HA -0.072 4.268 4.340 -0.000 0.000 0.231 130 R C 2.247 178.572 176.300 0.042 0.000 1.129 130 R CA 1.649 57.772 56.100 0.038 0.000 0.915 130 R CB -0.673 29.655 30.300 0.046 0.000 0.837 130 R HN 0.394 nan 8.270 nan 0.000 0.430 131 A N 1.239 124.089 122.820 0.049 0.000 2.248 131 A HA -0.141 4.179 4.320 -0.000 0.000 0.210 131 A C 1.859 179.460 177.584 0.028 0.000 1.174 131 A CA 0.798 52.866 52.037 0.051 0.000 0.750 131 A CB -0.335 18.701 19.000 0.060 0.000 0.780 131 A HN 0.418 nan 8.150 nan 0.000 0.478 132 Q N -0.028 119.785 119.800 0.023 0.000 2.045 132 Q HA -0.150 4.190 4.340 -0.000 0.000 0.206 132 Q C 1.341 177.342 176.000 0.003 0.000 0.991 132 Q CA 1.791 57.601 55.803 0.012 0.000 0.851 132 Q CB -0.323 28.422 28.738 0.013 0.000 0.911 132 Q HN 0.595 nan 8.270 nan 0.000 0.418 133 S N 0.767 116.471 115.700 0.007 0.000 2.906 133 S HA 0.067 4.537 4.470 -0.000 0.000 0.234 133 S C 1.092 175.687 174.600 -0.009 0.000 0.973 133 S CA 0.395 58.594 58.200 -0.001 0.000 1.036 133 S CB -0.298 62.907 63.200 0.008 0.000 0.798 133 S HN 0.437 nan 8.310 nan 0.000 0.498 134 M N -1.645 117.942 119.600 -0.021 0.000 2.914 134 M HA 0.295 4.775 4.480 -0.000 0.000 0.482 134 M C -0.794 175.437 176.300 -0.114 0.000 1.307 134 M CA -0.359 54.910 55.300 -0.052 0.000 0.894 134 M CB 0.343 32.966 32.600 0.040 0.000 1.929 134 M HN -0.090 nan 8.290 nan 0.000 0.649 135 D N 3.509 123.863 120.400 -0.078 0.000 2.352 135 D HA 0.220 4.860 4.640 -0.000 0.000 0.245 135 D C 1.213 177.461 176.300 -0.086 0.000 1.224 135 D CA -0.182 53.773 54.000 -0.075 0.000 0.879 135 D CB 0.759 41.543 40.800 -0.026 0.000 1.057 135 D HN 0.646 nan 8.370 nan 0.000 0.491 136 I N 1.625 122.114 120.570 -0.134 0.000 2.142 136 I HA -0.217 3.953 4.170 -0.000 0.000 0.240 136 I C 1.902 178.053 176.117 0.056 0.000 1.078 136 I CA 0.464 61.715 61.300 -0.081 0.000 1.343 136 I CB -0.358 37.575 38.000 -0.112 0.000 1.046 136 I HN 0.241 nan 8.210 nan 0.000 0.405 137 L N 1.184 122.449 121.223 0.070 0.000 2.010 137 L HA -0.301 4.038 4.340 -0.000 0.000 0.219 137 L C 2.907 179.806 176.870 0.047 0.000 1.077 137 L CA 2.355 57.242 54.840 0.077 0.000 0.773 137 L CB -1.102 41.004 42.059 0.078 0.000 0.892 137 L HN 0.517 nan 8.230 nan 0.000 0.436 138 S N -1.355 114.363 115.700 0.030 0.000 2.354 138 S HA -0.227 4.242 4.470 -0.000 0.000 0.219 138 S C 2.286 176.900 174.600 0.023 0.000 1.035 138 S CA 1.956 60.170 58.200 0.024 0.000 1.037 138 S CB -0.514 62.694 63.200 0.013 0.000 0.956 138 S HN 0.752 nan 8.310 nan 0.000 0.428 139 S N 1.342 117.053 115.700 0.018 0.000 2.368 139 S HA -0.223 4.247 4.470 -0.000 0.000 0.226 139 S C 1.897 176.515 174.600 0.030 0.000 1.044 139 S CA 1.478 59.689 58.200 0.020 0.000 1.062 139 S CB -0.956 62.256 63.200 0.018 0.000 0.931 139 S HN 0.572 nan 8.310 nan 0.000 0.440 140 Q N 0.950 120.780 119.800 0.049 0.000 2.224 140 Q HA 0.124 4.464 4.340 -0.000 0.000 0.203 140 Q C 2.401 178.408 176.000 0.012 0.000 0.970 140 Q CA 1.318 57.137 55.803 0.027 0.000 0.865 140 Q CB -0.737 28.017 28.738 0.026 0.000 0.922 140 Q HN 0.657 nan 8.270 nan 0.000 0.445 141 S N 1.136 116.849 115.700 0.022 0.000 2.458 141 S HA -0.026 4.444 4.470 -0.000 0.000 0.223 141 S C 1.605 176.225 174.600 0.034 0.000 1.019 141 S CA 0.178 58.392 58.200 0.024 0.000 0.937 141 S CB -0.009 63.208 63.200 0.029 0.000 0.788 141 S HN 0.398 nan 8.310 nan 0.000 0.511 142 N N 1.837 120.557 118.700 0.034 0.000 2.244 142 N HA 0.013 4.753 4.740 -0.000 0.000 0.183 142 N C 1.442 176.986 175.510 0.056 0.000 1.016 142 N CA 0.811 53.885 53.050 0.040 0.000 0.866 142 N CB -0.138 38.365 38.487 0.027 0.000 0.980 142 N HN 0.375 nan 8.380 nan 0.000 0.430 143 L N 0.310 121.561 121.223 0.047 0.000 2.313 143 L HA 0.075 4.414 4.340 -0.000 0.000 0.214 143 L C 2.250 179.179 176.870 0.098 0.000 1.119 143 L CA 0.547 55.429 54.840 0.071 0.000 0.809 143 L CB -0.271 41.806 42.059 0.029 0.000 0.933 143 L HN 0.119 nan 8.230 nan 0.000 0.449 144 A N -0.065 122.789 122.820 0.057 0.000 2.167 144 A HA 0.068 4.388 4.320 -0.000 0.000 0.214 144 A C 2.232 179.845 177.584 0.049 0.000 1.151 144 A CA 1.124 53.187 52.037 0.042 0.000 0.735 144 A CB -0.518 18.496 19.000 0.024 0.000 0.802 144 A HN 0.401 nan 8.150 nan 0.000 0.467 145 G N -1.290 107.552 108.800 0.070 0.000 2.417 145 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.212 145 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.212 145 G C 1.438 176.379 174.900 0.068 0.000 1.187 145 G CA 0.956 46.094 45.100 0.064 0.000 0.804 145 G HN 0.485 nan 8.290 nan 0.000 0.534 146 Y N 1.647 121.942 120.300 -0.007 0.000 2.014 146 Y HA -0.166 4.384 4.550 -0.000 0.000 0.270 146 Y C 2.859 178.744 175.900 -0.025 0.000 1.145 146 Y CA 2.160 60.249 58.100 -0.018 0.000 1.106 146 Y CB -0.303 38.142 38.460 -0.026 0.000 0.968 146 Y HN -0.015 nan 8.280 nan 0.000 0.484 147 R N 0.794 121.211 120.500 -0.137 0.000 2.226 147 R HA -0.195 4.145 4.340 -0.000 0.000 0.246 147 R C 2.221 178.424 176.300 -0.160 0.000 1.161 147 R CA 1.017 56.992 56.100 -0.209 0.000 0.997 147 R CB -1.155 29.120 30.300 -0.041 0.000 0.870 147 R HN 0.610 nan 8.270 nan 0.000 0.465 148 A N -0.192 122.572 122.820 -0.093 0.000 1.898 148 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 148 A C 2.339 179.884 177.584 -0.065 0.000 1.181 148 A CA 1.460 53.473 52.037 -0.040 0.000 0.620 148 A CB -0.237 18.761 19.000 -0.002 0.000 0.819 148 A HN 0.131 nan 8.150 nan 0.000 0.442 149 V N 0.313 120.147 119.914 -0.133 0.000 2.407 149 V HA -0.138 3.982 4.120 -0.000 0.000 0.245 149 V C 2.353 178.291 176.094 -0.262 0.000 1.041 149 V CA 1.150 63.363 62.300 -0.146 0.000 1.040 149 V CB -0.690 31.046 31.823 -0.145 0.000 0.671 149 V HN 0.446 nan 8.190 nan 0.000 0.455 150 I N 0.837 121.169 120.570 -0.397 0.000 2.208 150 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 150 I C 2.204 178.216 176.117 -0.174 0.000 1.097 150 I CA 1.710 62.787 61.300 -0.371 0.000 1.363 150 I CB -1.262 36.427 38.000 -0.518 0.000 1.051 150 I HN 0.327 nan 8.210 nan 0.000 0.413 151 D N 0.585 120.911 120.400 -0.124 0.000 2.224 151 D HA -0.064 4.576 4.640 -0.000 0.000 0.205 151 D C 2.251 178.610 176.300 0.099 0.000 0.965 151 D CA 1.201 55.208 54.000 0.011 0.000 0.852 151 D CB -0.288 40.540 40.800 0.046 0.000 0.947 151 D HN 0.361 nan 8.370 nan 0.000 0.494 152 G N 0.961 109.787 108.800 0.043 0.000 2.464 152 G HA2 -0.163 3.796 3.960 -0.000 0.000 0.214 152 G HA3 -0.163 3.796 3.960 -0.000 0.000 0.214 152 G C 1.747 176.742 174.900 0.159 0.000 1.218 152 G CA 1.304 46.463 45.100 0.099 0.000 0.794 152 G HN 0.343 nan 8.290 nan 0.000 0.542 153 A N -0.065 122.780 122.820 0.042 0.000 1.940 153 A HA -0.212 4.107 4.320 -0.000 0.000 0.221 153 A C 2.254 179.944 177.584 0.177 0.000 1.190 153 A CA 2.137 54.202 52.037 0.047 0.000 0.647 153 A CB -0.874 17.900 19.000 -0.376 0.000 0.821 153 A HN 0.521 nan 8.150 nan 0.000 0.457 154 Y N 0.613 120.920 120.300 0.012 0.000 2.207 154 Y HA -0.187 4.363 4.550 -0.000 0.000 0.287 154 Y C 2.220 178.170 175.900 0.084 0.000 1.156 154 Y CA 2.153 60.272 58.100 0.032 0.000 1.182 154 Y CB 0.031 38.493 38.460 0.003 0.000 0.979 154 Y HN 0.357 nan 8.280 nan 0.000 0.521 155 E N -0.837 119.450 120.200 0.144 0.000 2.299 155 E HA -0.066 4.284 4.350 -0.000 0.000 0.193 155 E C -0.031 176.661 176.600 0.154 0.000 0.998 155 E CA 0.103 56.555 56.400 0.086 0.000 0.851 155 E CB -0.442 29.346 29.700 0.145 0.000 0.795 155 E HN 0.229 nan 8.360 nan 0.000 0.492 156 F N 1.471 121.442 119.950 0.035 0.000 2.456 156 F HA 0.258 4.785 4.527 -0.000 0.000 0.358 156 F C 0.968 176.777 175.800 0.015 0.000 1.095 156 F CA -1.022 57.009 58.000 0.051 0.000 1.216 156 F CB 0.934 40.022 39.000 0.146 0.000 1.125 156 F HN -0.162 nan 8.300 nan 0.000 0.549 157 A N 7.409 130.062 122.820 -0.277 0.000 2.412 157 A HA 0.326 4.646 4.320 -0.000 0.000 0.253 157 A C 0.497 177.780 177.584 -0.502 0.000 1.334 157 A CA -0.154 51.697 52.037 -0.311 0.000 0.929 157 A CB -0.547 18.330 19.000 -0.206 0.000 0.983 157 A HN 0.672 nan 8.150 nan 0.000 0.508 158 R N -1.445 118.575 120.500 -0.800 0.000 2.799 158 R HA 0.649 4.989 4.340 -0.000 0.000 0.270 158 R C -0.681 175.516 176.300 -0.172 0.000 1.010 158 R CA -0.474 55.257 56.100 -0.615 0.000 0.916 158 R CB 1.678 31.407 30.300 -0.952 0.000 1.228 158 R HN 0.205 nan 8.270 nan 0.000 0.469 159 A N 0.783 123.602 122.820 -0.003 0.000 2.340 159 A HA 0.382 4.702 4.320 -0.000 0.000 0.268 159 A C 0.188 177.965 177.584 0.321 0.000 1.100 159 A CA -0.270 51.868 52.037 0.169 0.000 0.803 159 A CB 0.133 19.189 19.000 0.093 0.000 1.043 159 A HN 0.653 nan 8.150 nan 0.000 0.488 160 F N 1.556 121.584 119.950 0.131 0.000 2.098 160 F HA 0.070 4.597 4.527 -0.000 0.000 0.294 160 F C -0.979 174.868 175.800 0.078 0.000 1.107 160 F CA 0.855 58.931 58.000 0.126 0.000 1.234 160 F CB -0.521 38.530 39.000 0.086 0.000 1.002 160 F HN 0.356 nan 8.300 nan 0.000 0.472 161 P HA 0.069 nan 4.420 nan 0.000 0.278 161 P C -0.592 176.756 177.300 0.081 0.000 1.258 161 P CA -0.390 62.790 63.100 0.133 0.000 0.811 161 P CB 1.029 32.801 31.700 0.120 0.000 1.063 162 M N 2.372 122.004 119.600 0.053 0.000 2.185 162 M HA 0.316 4.796 4.480 -0.000 0.000 0.357 162 M C -0.875 175.445 176.300 0.033 0.000 1.260 162 M CA 0.188 55.509 55.300 0.034 0.000 1.124 162 M CB -0.083 32.531 32.600 0.022 0.000 1.600 162 M HN 0.240 nan 8.290 nan 0.000 0.467 163 M N 5.706 125.322 119.600 0.026 0.000 2.142 163 M HA 0.345 4.825 4.480 -0.000 0.000 0.299 163 M C -1.023 175.285 176.300 0.014 0.000 0.960 163 M CA -0.644 54.669 55.300 0.022 0.000 0.920 163 M CB 1.951 34.565 32.600 0.023 0.000 1.541 163 M HN 0.651 nan 8.290 nan 0.000 0.429 164 M N 2.726 122.333 119.600 0.012 0.000 2.869 164 M HA 0.106 4.586 4.480 -0.000 0.000 0.299 164 M C 0.450 176.753 176.300 0.006 0.000 1.508 164 M CA 0.332 55.637 55.300 0.008 0.000 1.551 164 M CB -0.282 32.323 32.600 0.008 0.000 1.384 164 M HN 0.598 nan 8.290 nan 0.000 0.491 165 T N 0.926 115.483 114.554 0.004 0.000 2.849 165 T HA 0.562 4.912 4.350 -0.000 0.000 0.284 165 T C 1.120 175.821 174.700 0.001 0.000 1.004 165 T CA -0.197 61.904 62.100 0.002 0.000 1.021 165 T CB 0.917 69.785 68.868 0.000 0.000 1.013 165 T HN 0.636 nan 8.240 nan 0.000 0.527 166 A N 1.592 124.412 122.820 0.000 0.000 2.259 166 A HA 0.517 4.837 4.320 -0.000 0.000 0.208 166 A C 1.594 179.177 177.584 -0.002 0.000 1.201 166 A CA 0.648 52.685 52.037 -0.000 0.000 0.824 166 A CB -0.544 18.456 19.000 -0.000 0.000 0.838 166 A HN 0.988 nan 8.150 nan 0.000 0.485 167 A N -1.298 121.520 122.820 -0.003 0.000 2.631 167 A HA 0.581 4.901 4.320 -0.000 0.000 0.294 167 A C 0.969 178.550 177.584 -0.005 0.000 1.156 167 A CA 0.712 52.746 52.037 -0.004 0.000 0.963 167 A CB -0.548 18.448 19.000 -0.006 0.000 1.202 167 A HN 1.844 nan 8.150 nan 0.000 0.523 168 G N -0.605 108.193 108.800 -0.003 0.000 2.301 168 G HA2 0.375 4.335 3.960 -0.000 0.000 0.194 168 G HA3 0.375 4.335 3.960 -0.000 0.000 0.194 168 G C -0.144 174.755 174.900 -0.002 0.000 1.266 168 G CA 0.306 45.404 45.100 -0.003 0.000 1.210 168 G HN 1.835 nan 8.290 nan 0.000 0.524 169 T N -1.970 112.583 114.554 -0.002 0.000 3.143 169 T HA 0.635 4.985 4.350 -0.000 0.000 0.312 169 T C -0.256 174.443 174.700 -0.001 0.000 0.986 169 T CA 0.259 62.359 62.100 0.001 0.000 1.024 169 T CB 0.994 69.864 68.868 0.002 0.000 1.030 169 T HN 2.016 nan 8.240 nan 0.000 0.448 170 V N 2.866 122.780 119.914 0.001 0.000 2.387 170 V HA 0.487 4.607 4.120 -0.000 0.000 0.260 170 V C -1.961 174.137 176.094 0.007 0.000 1.054 170 V CA -1.889 60.410 62.300 -0.001 0.000 0.967 170 V CB -0.343 31.479 31.823 -0.002 0.000 1.036 170 V HN 0.807 nan 8.190 nan 0.000 0.481 171 P HA 0.230 nan 4.420 nan 0.000 0.269 171 P C -2.245 175.062 177.300 0.012 0.000 1.209 171 P CA -1.056 62.048 63.100 0.006 0.000 0.776 171 P CB 0.209 31.908 31.700 -0.000 0.000 0.876 172 P HA 0.023 nan 4.420 nan 0.000 0.269 172 P C -0.417 176.858 177.300 -0.042 0.000 1.217 172 P CA 0.086 63.181 63.100 -0.008 0.000 0.783 172 P CB 0.375 32.066 31.700 -0.016 0.000 0.898 173 A N 2.847 125.590 122.820 -0.129 0.000 2.310 173 A HA 0.414 4.734 4.320 -0.000 0.000 0.299 173 A C 0.387 177.787 177.584 -0.306 0.000 1.147 173 A CA -0.700 51.191 52.037 -0.243 0.000 0.818 173 A CB 0.375 19.022 19.000 -0.587 0.000 1.096 173 A HN 0.454 nan 8.150 nan 0.000 0.495 174 R N 0.836 121.179 120.500 -0.261 0.000 2.368 174 R HA 0.563 4.903 4.340 -0.000 0.000 0.302 174 R C -1.395 174.726 176.300 -0.299 0.000 1.002 174 R CA -0.462 55.502 56.100 -0.226 0.000 0.929 174 R CB 1.584 31.793 30.300 -0.152 0.000 1.073 174 R HN 0.431 nan 8.270 nan 0.000 0.464 175 V N 4.735 124.496 119.914 -0.255 0.000 2.569 175 V HA 0.328 4.448 4.120 -0.000 0.000 0.301 175 V C -0.561 175.403 176.094 -0.218 0.000 1.044 175 V CA -0.799 61.355 62.300 -0.245 0.000 0.874 175 V CB 2.079 33.781 31.823 -0.202 0.000 1.002 175 V HN 0.615 nan 8.190 nan 0.000 0.424 176 L N 5.784 126.845 121.223 -0.270 0.000 2.305 176 L HA 0.706 5.046 4.340 -0.000 0.000 0.284 176 L C -0.915 175.670 176.870 -0.475 0.000 1.013 176 L CA -0.478 54.129 54.840 -0.388 0.000 0.819 176 L CB 1.636 43.407 42.059 -0.481 0.000 1.227 176 L HN 0.480 nan 8.230 nan 0.000 0.417 177 V N 5.515 125.194 119.914 -0.393 0.000 2.439 177 V HA 0.329 4.448 4.120 -0.000 0.000 0.282 177 V C -0.353 175.535 176.094 -0.343 0.000 1.039 177 V CA -0.121 62.012 62.300 -0.279 0.000 0.913 177 V CB 1.449 33.208 31.823 -0.107 0.000 0.983 177 V HN 0.525 nan 8.190 nan 0.000 0.460 178 F N 3.043 122.980 119.950 -0.021 0.000 2.308 178 F HA 0.654 5.181 4.527 -0.000 0.000 0.370 178 F C 0.838 176.643 175.800 0.009 0.000 1.100 178 F CA -0.112 57.879 58.000 -0.016 0.000 1.108 178 F CB 1.609 40.598 39.000 -0.018 0.000 1.293 178 F HN 0.737 nan 8.300 nan 0.000 0.478 179 G N 2.219 111.139 108.800 0.201 0.000 2.932 179 G HA2 -0.138 3.821 3.960 -0.000 0.000 0.180 179 G HA3 -0.138 3.821 3.960 -0.000 0.000 0.180 179 G C -0.554 174.412 174.900 0.111 0.000 1.072 179 G CA -1.060 44.127 45.100 0.145 0.000 0.997 179 G HN 0.473 nan 8.290 nan 0.000 0.541 180 V N 1.347 121.333 119.914 0.121 0.000 2.032 180 V HA 0.369 4.489 4.120 -0.000 0.000 0.233 180 V C 1.701 177.852 176.094 0.095 0.000 1.578 180 V CA 1.478 63.845 62.300 0.112 0.000 1.560 180 V CB -0.720 31.198 31.823 0.159 0.000 1.556 180 V HN 0.845 nan 8.190 nan 0.000 0.496 181 G N 0.843 109.690 108.800 0.079 0.000 3.022 181 G HA2 0.298 4.258 3.960 -0.000 0.000 0.157 181 G HA3 0.298 4.258 3.960 -0.000 0.000 0.157 181 G C 0.996 175.929 174.900 0.055 0.000 1.468 181 G CA 0.484 45.623 45.100 0.065 0.000 1.058 181 G HN 0.189 nan 8.290 nan 0.000 0.581 182 V N 0.440 120.383 119.914 0.048 0.000 2.300 182 V HA 0.165 4.285 4.120 -0.000 0.000 0.241 182 V C 3.139 179.261 176.094 0.046 0.000 1.034 182 V CA 2.403 64.729 62.300 0.043 0.000 1.021 182 V CB -0.515 31.330 31.823 0.037 0.000 0.662 182 V HN 0.705 nan 8.190 nan 0.000 0.458 183 A N 0.347 123.196 122.820 0.047 0.000 1.865 183 A HA -0.109 4.210 4.320 -0.000 0.000 0.217 183 A C 2.386 180.001 177.584 0.052 0.000 1.191 183 A CA 2.279 54.346 52.037 0.049 0.000 0.623 183 A CB -1.694 17.333 19.000 0.046 0.000 0.826 183 A HN 0.756 nan 8.150 nan 0.000 0.444 184 G N -0.505 108.328 108.800 0.055 0.000 2.469 184 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.220 184 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.220 184 G C 1.560 176.490 174.900 0.050 0.000 1.136 184 G CA 1.119 46.252 45.100 0.054 0.000 0.759 184 G HN 0.439 nan 8.290 nan 0.000 0.562 185 L N -0.503 120.752 121.223 0.054 0.000 2.156 185 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 185 L C 2.929 179.829 176.870 0.051 0.000 1.095 185 L CA 1.149 56.021 54.840 0.053 0.000 0.770 185 L CB -0.131 41.959 42.059 0.051 0.000 0.914 185 L HN 0.257 nan 8.230 nan 0.000 0.439 186 Q N 0.005 119.838 119.800 0.054 0.000 2.083 186 Q HA -0.086 4.254 4.340 -0.000 0.000 0.198 186 Q C 2.164 178.206 176.000 0.069 0.000 0.969 186 Q CA 1.765 57.607 55.803 0.065 0.000 0.838 186 Q CB -0.185 28.597 28.738 0.074 0.000 0.900 186 Q HN 0.395 nan 8.270 nan 0.000 0.436 187 A N 0.055 122.909 122.820 0.056 0.000 2.070 187 A HA -0.091 4.229 4.320 -0.000 0.000 0.220 187 A C 1.993 179.603 177.584 0.042 0.000 1.159 187 A CA 1.174 53.236 52.037 0.042 0.000 0.656 187 A CB -0.620 18.397 19.000 0.030 0.000 0.800 187 A HN 0.486 nan 8.150 nan 0.000 0.453 188 I N -0.890 119.704 120.570 0.041 0.000 2.480 188 I HA -0.151 4.019 4.170 -0.000 0.000 0.251 188 I C 2.889 179.036 176.117 0.050 0.000 1.124 188 I CA 0.853 62.174 61.300 0.035 0.000 1.444 188 I CB -0.324 37.696 38.000 0.034 0.000 1.098 188 I HN 0.349 nan 8.210 nan 0.000 0.428 189 A N 0.885 123.739 122.820 0.056 0.000 1.930 189 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 189 A C 2.396 180.024 177.584 0.073 0.000 1.175 189 A CA 2.393 54.466 52.037 0.060 0.000 0.627 189 A CB -0.918 18.117 19.000 0.058 0.000 0.815 189 A HN 0.503 nan 8.150 nan 0.000 0.443 190 T N -3.681 110.923 114.554 0.084 0.000 3.044 190 T HA 0.372 4.722 4.350 -0.000 0.000 0.255 190 T C 1.885 176.633 174.700 0.079 0.000 1.073 190 T CA 1.135 63.288 62.100 0.089 0.000 1.125 190 T CB -0.209 68.734 68.868 0.126 0.000 0.908 190 T HN 0.453 nan 8.240 nan 0.000 0.480 191 A N 1.942 124.824 122.820 0.104 0.000 1.933 191 A HA 0.003 4.323 4.320 -0.000 0.000 0.218 191 A C 2.469 180.177 177.584 0.207 0.000 1.175 191 A CA 1.281 53.449 52.037 0.218 0.000 0.628 191 A CB -0.559 18.547 19.000 0.176 0.000 0.814 191 A HN 0.334 nan 8.150 nan 0.000 0.444 192 K N 0.220 120.689 120.400 0.116 0.000 2.007 192 K HA -0.132 4.188 4.320 -0.000 0.000 0.206 192 K C 2.308 178.963 176.600 0.092 0.000 1.047 192 K CA 1.507 57.847 56.287 0.088 0.000 0.937 192 K CB -0.360 32.174 32.500 0.057 0.000 0.718 192 K HN 0.723 nan 8.250 nan 0.000 0.438 193 R N 0.571 121.121 120.500 0.082 0.000 2.152 193 R HA -0.067 4.273 4.340 -0.000 0.000 0.232 193 R C 2.128 178.476 176.300 0.081 0.000 1.117 193 R CA 1.075 57.217 56.100 0.070 0.000 0.981 193 R CB -0.694 29.643 30.300 0.061 0.000 0.870 193 R HN 0.123 nan 8.270 nan 0.000 0.451 194 L N 0.454 121.741 121.223 0.106 0.000 2.610 194 L HA 0.100 4.440 4.340 -0.000 0.000 0.232 194 L C 0.924 177.912 176.870 0.197 0.000 1.149 194 L CA 0.904 55.816 54.840 0.120 0.000 0.872 194 L CB 0.070 42.163 42.059 0.058 0.000 0.992 194 L HN 0.736 nan 8.230 nan 0.000 0.447 195 G N -1.179 107.718 108.800 0.163 0.000 2.232 195 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.226 195 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.226 195 G C 0.559 175.521 174.900 0.104 0.000 0.996 195 G CA 0.012 45.191 45.100 0.131 0.000 0.626 195 G HN 0.581 nan 8.290 nan 0.000 0.509 196 A N -0.375 122.526 122.820 0.135 0.000 2.455 196 A HA 0.534 4.854 4.320 -0.000 0.000 0.244 196 A C 0.674 178.237 177.584 -0.035 0.000 1.099 196 A CA 1.027 53.039 52.037 -0.041 0.000 0.786 196 A CB 0.535 19.449 19.000 -0.143 0.000 1.051 196 A HN 1.166 nan 8.150 nan 0.000 0.508 197 V N 2.140 122.002 119.914 -0.086 0.000 2.239 197 V HA 0.219 4.339 4.120 -0.000 0.000 0.267 197 V C -0.095 175.951 176.094 -0.081 0.000 1.056 197 V CA -0.340 61.924 62.300 -0.060 0.000 0.830 197 V CB 0.511 32.299 31.823 -0.058 0.000 1.090 197 V HN 0.602 nan 8.190 nan 0.000 0.459 198 V N 5.346 125.226 119.914 -0.056 0.000 2.775 198 V HA 0.427 4.547 4.120 -0.000 0.000 0.299 198 V C 0.102 176.154 176.094 -0.069 0.000 1.062 198 V CA -0.063 62.197 62.300 -0.067 0.000 1.063 198 V CB 1.355 33.160 31.823 -0.030 0.000 0.994 198 V HN 0.843 nan 8.190 nan 0.000 0.483 199 M N 3.683 123.219 119.600 -0.107 0.000 2.265 199 M HA 0.635 5.115 4.480 -0.000 0.000 0.251 199 M C -0.861 175.324 176.300 -0.192 0.000 1.005 199 M CA -0.083 55.146 55.300 -0.118 0.000 0.998 199 M CB 1.515 34.041 32.600 -0.124 0.000 2.070 199 M HN 0.829 nan 8.290 nan 0.000 0.476 200 A N 2.236 124.947 122.820 -0.181 0.000 2.350 200 A HA 0.959 5.279 4.320 -0.000 0.000 0.318 200 A C -0.788 176.544 177.584 -0.420 0.000 1.132 200 A CA -0.617 51.264 52.037 -0.260 0.000 0.811 200 A CB 2.100 21.020 19.000 -0.133 0.000 1.313 200 A HN 0.624 nan 8.150 nan 0.000 0.454 201 T N -0.107 114.214 114.554 -0.388 0.000 2.887 201 T HA 0.610 4.959 4.350 -0.000 0.000 0.288 201 T C -1.716 172.896 174.700 -0.146 0.000 1.021 201 T CA -0.394 61.411 62.100 -0.491 0.000 1.000 201 T CB 1.148 69.892 68.868 -0.206 0.000 1.034 201 T HN 0.766 nan 8.240 nan 0.000 0.467 202 D N 1.500 121.872 120.400 -0.046 0.000 2.654 202 D HA 0.225 4.865 4.640 -0.000 0.000 0.231 202 D C 1.211 177.819 176.300 0.512 0.000 1.239 202 D CA -0.377 53.824 54.000 0.335 0.000 0.790 202 D CB 2.031 43.111 40.800 0.467 0.000 1.480 202 D HN 0.388 nan 8.370 nan 0.000 0.442 203 V N 1.322 121.460 119.914 0.373 0.000 2.302 203 V HA 0.161 4.281 4.120 -0.000 0.000 0.243 203 V C 1.005 177.222 176.094 0.205 0.000 1.036 203 V CA 0.568 63.054 62.300 0.309 0.000 1.020 203 V CB -0.721 31.137 31.823 0.057 0.000 0.657 203 V HN 0.436 nan 8.190 nan 0.000 0.453 204 R N 1.724 122.306 120.500 0.136 0.000 2.543 204 R HA 0.349 4.689 4.340 -0.000 0.000 0.348 204 R C 1.284 177.594 176.300 0.018 0.000 0.981 204 R CA 0.498 56.635 56.100 0.061 0.000 1.019 204 R CB 0.013 30.340 30.300 0.046 0.000 0.944 204 R HN 0.539 nan 8.270 nan 0.000 0.425 205 A N 3.270 126.079 122.820 -0.018 0.000 2.272 205 A HA -0.158 4.162 4.320 -0.000 0.000 0.213 205 A C 1.988 179.477 177.584 -0.158 0.000 1.183 205 A CA 1.568 53.534 52.037 -0.119 0.000 0.719 205 A CB -0.250 18.714 19.000 -0.060 0.000 0.771 205 A HN 0.841 nan 8.150 nan 0.000 0.484 206 A N -1.484 121.280 122.820 -0.094 0.000 2.072 206 A HA 0.074 4.394 4.320 -0.000 0.000 0.216 206 A C 2.151 179.677 177.584 -0.097 0.000 1.156 206 A CA 1.706 53.697 52.037 -0.077 0.000 0.701 206 A CB -0.594 18.386 19.000 -0.033 0.000 0.816 206 A HN 0.380 nan 8.150 nan 0.000 0.458 207 T N -0.297 114.189 114.554 -0.113 0.000 2.812 207 T HA -0.085 4.265 4.350 -0.000 0.000 0.264 207 T C 1.948 176.495 174.700 -0.255 0.000 1.042 207 T CA 1.364 63.416 62.100 -0.079 0.000 1.140 207 T CB -0.161 68.764 68.868 0.094 0.000 0.870 207 T HN 0.563 nan 8.240 nan 0.000 0.445 208 K N 1.018 120.972 120.400 -0.744 0.000 2.189 208 K HA -0.258 4.062 4.320 -0.000 0.000 0.207 208 K C 2.170 178.597 176.600 -0.289 0.000 1.046 208 K CA 1.756 57.487 56.287 -0.927 0.000 0.928 208 K CB -0.062 31.907 32.500 -0.886 0.000 0.720 208 K HN 0.475 nan 8.250 nan 0.000 0.458 209 E N 0.110 120.194 120.200 -0.193 0.000 2.033 209 E HA -0.165 4.185 4.350 -0.000 0.000 0.189 209 E C 2.083 178.661 176.600 -0.037 0.000 0.979 209 E CA 0.792 57.140 56.400 -0.087 0.000 0.802 209 E CB 0.085 29.743 29.700 -0.071 0.000 0.763 209 E HN 0.357 nan 8.360 nan 0.000 0.449 210 Q N 0.073 119.856 119.800 -0.028 0.000 2.030 210 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 210 Q C 2.327 178.353 176.000 0.044 0.000 0.986 210 Q CA 1.831 57.642 55.803 0.013 0.000 0.843 210 Q CB -0.047 28.706 28.738 0.025 0.000 0.904 210 Q HN 0.204 nan 8.270 nan 0.000 0.420 211 V N 1.044 121.007 119.914 0.082 0.000 2.407 211 V HA -0.240 3.879 4.120 -0.000 0.000 0.248 211 V C 1.613 177.762 176.094 0.091 0.000 1.055 211 V CA 1.830 64.208 62.300 0.131 0.000 1.049 211 V CB -0.337 31.665 31.823 0.297 0.000 0.662 211 V HN 0.353 nan 8.190 nan 0.000 0.455 212 E N -0.875 119.364 120.200 0.065 0.000 2.502 212 E HA -0.042 4.308 4.350 -0.000 0.000 0.194 212 E C 2.074 178.690 176.600 0.027 0.000 1.062 212 E CA 0.580 57.006 56.400 0.044 0.000 0.867 212 E CB 0.118 29.833 29.700 0.025 0.000 0.888 212 E HN 0.504 nan 8.360 nan 0.000 0.510 213 S N -0.193 115.522 115.700 0.026 0.000 2.470 213 S HA 0.105 4.575 4.470 -0.000 0.000 0.222 213 S C 1.491 176.106 174.600 0.024 0.000 1.024 213 S CA 0.055 58.266 58.200 0.019 0.000 0.931 213 S CB 0.275 63.484 63.200 0.015 0.000 0.791 213 S HN 0.224 nan 8.310 nan 0.000 0.513 214 L N 0.510 121.753 121.223 0.032 0.000 2.607 214 L HA 0.365 4.704 4.340 -0.000 0.000 0.228 214 L C 1.736 178.626 176.870 0.033 0.000 1.123 214 L CA 0.541 55.401 54.840 0.034 0.000 0.890 214 L CB 0.100 42.183 42.059 0.040 0.000 1.103 214 L HN 0.581 nan 8.230 nan 0.000 0.468 215 G N -0.527 108.291 108.800 0.031 0.000 2.238 215 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.217 215 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.217 215 G C 0.712 175.630 174.900 0.029 0.000 0.996 215 G CA -0.242 44.875 45.100 0.028 0.000 0.632 215 G HN 0.460 nan 8.290 nan 0.000 0.503 216 G N -0.104 108.717 108.800 0.035 0.000 2.527 216 G HA2 0.478 4.438 3.960 -0.000 0.000 0.279 216 G HA3 0.478 4.438 3.960 -0.000 0.000 0.279 216 G C -0.042 174.886 174.900 0.047 0.000 1.374 216 G CA 0.938 46.058 45.100 0.034 0.000 1.053 216 G HN 0.845 nan 8.290 nan 0.000 0.539 217 K N -1.779 118.651 120.400 0.049 0.000 2.498 217 K HA 0.534 4.854 4.320 -0.000 0.000 0.254 217 K C -1.871 174.794 176.600 0.109 0.000 0.933 217 K CA -0.821 55.510 56.287 0.073 0.000 0.806 217 K CB 1.457 33.975 32.500 0.030 0.000 1.301 217 K HN 0.233 nan 8.250 nan 0.000 0.432 218 F N 4.228 124.171 119.950 -0.013 0.000 2.404 218 F HA 0.536 5.063 4.527 -0.000 0.000 0.339 218 F C -0.165 175.628 175.800 -0.011 0.000 1.105 218 F CA -0.773 57.222 58.000 -0.008 0.000 1.087 218 F CB 0.809 39.814 39.000 0.008 0.000 1.143 218 F HN 0.422 nan 8.300 nan 0.000 0.491 219 I N 5.705 126.021 120.570 -0.422 0.000 2.287 219 I HA 0.174 4.344 4.170 -0.000 0.000 0.290 219 I C 0.074 176.084 176.117 -0.178 0.000 1.069 219 I CA -0.165 60.983 61.300 -0.253 0.000 1.237 219 I CB 0.381 38.202 38.000 -0.298 0.000 1.418 219 I HN 0.628 nan 8.210 nan 0.000 0.481 242 E N 0.539 120.793 120.200 0.089 0.000 2.284 242 E HA -0.217 4.133 4.350 -0.000 0.000 0.200 242 E C 1.111 177.773 176.600 0.104 0.000 1.008 242 E CA 1.139 57.586 56.400 0.079 0.000 0.829 242 E CB -0.019 29.726 29.700 0.075 0.000 0.744 242 E HN 0.503 nan 8.360 nan 0.000 0.491 243 F N 1.340 121.298 119.950 0.013 0.000 2.025 243 F HA -0.043 4.484 4.527 -0.000 0.000 0.291 243 F C 1.778 177.585 175.800 0.011 0.000 1.150 243 F CA 0.865 58.876 58.000 0.018 0.000 1.166 243 F CB 0.213 39.226 39.000 0.022 0.000 0.995 243 F HN -0.280 nan 8.300 nan 0.000 0.474 244 R N 1.602 122.193 120.500 0.151 0.000 3.425 244 R HA -0.018 4.322 4.340 -0.000 0.000 0.213 244 R C 0.295 176.574 176.300 -0.034 0.000 1.890 244 R CA 0.399 56.509 56.100 0.017 0.000 1.589 244 R CB -0.678 29.686 30.300 0.106 0.000 1.095 244 R HN 0.387 nan 8.270 nan 0.000 0.547 245 K N -0.366 119.994 120.400 -0.066 0.000 3.124 245 K HA 0.168 4.488 4.320 -0.000 0.000 0.255 245 K C 1.257 177.810 176.600 -0.077 0.000 1.513 245 K CA -0.301 55.957 56.287 -0.049 0.000 1.066 245 K CB -0.229 32.264 32.500 -0.013 0.000 2.122 245 K HN -0.139 nan 8.250 nan 0.000 0.398 246 K N 1.967 122.327 120.400 -0.066 0.000 2.589 246 K HA -0.118 4.202 4.320 -0.000 0.000 0.195 246 K C 1.816 178.347 176.600 -0.115 0.000 1.040 246 K CA 0.950 57.196 56.287 -0.068 0.000 0.950 246 K CB 0.306 32.782 32.500 -0.040 0.000 0.781 246 K HN 0.223 nan 8.250 nan 0.000 0.486 247 Q N -0.061 119.622 119.800 -0.195 0.000 2.388 247 Q HA 0.075 4.415 4.340 -0.000 0.000 0.204 247 Q C 1.729 177.598 176.000 -0.218 0.000 0.946 247 Q CA 0.817 56.444 55.803 -0.293 0.000 0.880 247 Q CB 0.090 28.432 28.738 -0.659 0.000 0.997 247 Q HN 0.188 nan 8.270 nan 0.000 0.552 248 A N 1.246 123.951 122.820 -0.192 0.000 2.216 248 A HA -0.132 4.188 4.320 -0.000 0.000 0.214 248 A C 1.771 179.307 177.584 -0.080 0.000 1.160 248 A CA 1.383 53.349 52.037 -0.119 0.000 0.725 248 A CB -0.353 18.590 19.000 -0.094 0.000 0.784 248 A HN 0.603 nan 8.150 nan 0.000 0.472 249 E N -0.220 119.930 120.200 -0.083 0.000 2.079 249 E HA 0.119 4.469 4.350 -0.000 0.000 0.191 249 E C 1.852 178.419 176.600 -0.056 0.000 0.961 249 E CA 0.596 56.960 56.400 -0.059 0.000 0.823 249 E CB -0.180 29.488 29.700 -0.053 0.000 0.789 249 E HN 0.406 nan 8.360 nan 0.000 0.459 250 A N 0.897 123.675 122.820 -0.070 0.000 2.259 250 A HA -0.007 4.313 4.320 -0.000 0.000 0.212 250 A C 1.889 179.434 177.584 -0.065 0.000 1.178 250 A CA 0.639 52.637 52.037 -0.065 0.000 0.734 250 A CB -0.123 18.834 19.000 -0.072 0.000 0.774 250 A HN 0.228 nan 8.150 nan 0.000 0.481 251 V N -1.262 118.620 119.914 -0.055 0.000 3.125 251 V HA 0.033 4.153 4.120 -0.000 0.000 0.249 251 V C 2.139 178.231 176.094 -0.004 0.000 1.113 251 V CA 0.779 63.067 62.300 -0.019 0.000 1.106 251 V CB -0.071 31.776 31.823 0.039 0.000 0.768 251 V HN 0.612 nan 8.190 nan 0.000 0.468 252 L N -0.185 121.027 121.223 -0.018 0.000 2.291 252 L HA 0.003 4.343 4.340 -0.000 0.000 0.214 252 L C 1.678 178.533 176.870 -0.025 0.000 1.120 252 L CA 1.144 55.974 54.840 -0.017 0.000 0.799 252 L CB -0.085 41.959 42.059 -0.025 0.000 0.925 252 L HN 0.228 nan 8.230 nan 0.000 0.446 253 K N -0.213 120.167 120.400 -0.032 0.000 2.790 253 K HA 0.028 4.348 4.320 -0.000 0.000 0.229 253 K C 0.289 176.863 176.600 -0.042 0.000 1.040 253 K CA 0.071 56.337 56.287 -0.035 0.000 1.211 253 K CB 0.289 32.768 32.500 -0.035 0.000 1.002 253 K HN 0.236 nan 8.250 nan 0.000 0.479 254 E N -0.836 119.338 120.200 -0.044 0.000 3.383 254 E HA -0.020 4.330 4.350 -0.000 0.000 0.256 254 E C 1.329 177.895 176.600 -0.057 0.000 1.197 254 E CA -0.034 56.329 56.400 -0.061 0.000 1.851 254 E CB -0.458 29.190 29.700 -0.086 0.000 2.128 254 E HN 0.062 nan 8.360 nan 0.000 0.951 255 L N 2.137 123.341 121.223 -0.032 0.000 2.129 255 L HA -0.134 4.206 4.340 -0.000 0.000 0.212 255 L C 2.237 179.094 176.870 -0.022 0.000 1.087 255 L CA 1.328 56.161 54.840 -0.011 0.000 0.757 255 L CB -0.372 41.716 42.059 0.049 0.000 0.896 255 L HN -0.024 nan 8.230 nan 0.000 0.434 256 V N -0.469 119.431 119.914 -0.024 0.000 2.295 256 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 256 V C 2.345 178.422 176.094 -0.027 0.000 1.049 256 V CA 1.893 64.179 62.300 -0.024 0.000 1.024 256 V CB -0.527 31.282 31.823 -0.024 0.000 0.648 256 V HN 0.443 nan 8.190 nan 0.000 0.447 257 K N -0.583 119.795 120.400 -0.036 0.000 2.487 257 K HA 0.078 4.398 4.320 -0.000 0.000 0.192 257 K C 0.738 177.305 176.600 -0.055 0.000 1.027 257 K CA 0.126 56.390 56.287 -0.038 0.000 1.054 257 K CB -0.029 32.447 32.500 -0.041 0.000 0.824 257 K HN 0.384 nan 8.250 nan 0.000 0.510 258 T N 1.832 116.344 114.554 -0.070 0.000 2.897 258 T HA 0.055 4.405 4.350 -0.000 0.000 0.294 258 T C 0.715 175.346 174.700 -0.115 0.000 1.004 258 T CA -0.159 61.875 62.100 -0.109 0.000 1.106 258 T CB 1.200 69.993 68.868 -0.125 0.000 0.949 258 T HN 0.078 nan 8.240 nan 0.000 0.520 259 D N 1.583 121.866 120.400 -0.195 0.000 2.369 259 D HA 0.142 4.782 4.640 -0.000 0.000 0.231 259 D C 0.333 176.381 176.300 -0.419 0.000 0.967 259 D CA 0.747 54.574 54.000 -0.288 0.000 0.905 259 D CB 0.456 41.004 40.800 -0.420 0.000 1.044 259 D HN 0.304 nan 8.370 nan 0.000 0.487 260 I N 0.341 120.651 120.570 -0.433 0.000 2.603 260 I HA 0.455 4.625 4.170 -0.000 0.000 0.300 260 I C -0.528 175.475 176.117 -0.191 0.000 1.017 260 I CA -0.865 60.246 61.300 -0.315 0.000 1.098 260 I CB 2.221 40.043 38.000 -0.297 0.000 1.279 260 I HN -0.166 nan 8.210 nan 0.000 0.437 261 A N 6.843 129.600 122.820 -0.105 0.000 2.385 261 A HA 0.838 5.158 4.320 -0.000 0.000 0.290 261 A C -0.893 176.691 177.584 0.000 0.000 1.094 261 A CA -0.355 51.643 52.037 -0.065 0.000 0.729 261 A CB 0.475 19.491 19.000 0.026 0.000 1.194 261 A HN 0.587 nan 8.150 nan 0.000 0.442 262 I N 2.588 123.147 120.570 -0.018 0.000 2.354 262 I HA 0.470 4.640 4.170 -0.000 0.000 0.292 262 I C 0.316 176.498 176.117 0.108 0.000 0.989 262 I CA -0.428 60.893 61.300 0.034 0.000 1.188 262 I CB 2.229 40.234 38.000 0.009 0.000 1.342 262 I HN 0.656 nan 8.210 nan 0.000 0.457 263 T N 0.191 114.833 114.554 0.147 0.000 2.792 263 T HA 0.489 4.839 4.350 -0.000 0.000 0.280 263 T C 0.465 175.235 174.700 0.116 0.000 0.990 263 T CA -0.292 61.927 62.100 0.198 0.000 0.960 263 T CB 1.818 70.783 68.868 0.162 0.000 0.939 263 T HN 0.781 nan 8.240 nan 0.000 0.439 264 T N -0.284 114.342 114.554 0.121 0.000 3.075 264 T HA 0.476 4.826 4.350 -0.000 0.000 0.251 264 T C 1.328 176.074 174.700 0.077 0.000 0.979 264 T CA 0.349 62.499 62.100 0.083 0.000 1.033 264 T CB -0.658 68.257 68.868 0.078 0.000 1.104 264 T HN 1.258 nan 8.240 nan 0.000 0.473 265 A N 1.996 124.875 122.820 0.099 0.000 2.517 265 A HA 0.341 4.661 4.320 -0.000 0.000 0.286 265 A C -0.162 177.450 177.584 0.047 0.000 0.908 265 A CA 0.431 52.515 52.037 0.079 0.000 1.089 265 A CB -0.963 18.083 19.000 0.077 0.000 0.754 265 A HN 0.654 nan 8.150 nan 0.000 0.410 266 L N 2.315 123.565 121.223 0.045 0.000 2.502 266 L HA 0.875 5.215 4.340 -0.000 0.000 0.253 266 L C -0.688 176.200 176.870 0.029 0.000 1.070 266 L CA -0.454 54.406 54.840 0.033 0.000 0.871 266 L CB 2.030 44.110 42.059 0.036 0.000 1.487 266 L HN 0.652 nan 8.230 nan 0.000 0.408 267 I N 2.652 123.236 120.570 0.024 0.000 2.710 267 I HA 0.250 4.420 4.170 -0.000 0.000 0.283 267 I C -2.393 173.736 176.117 0.020 0.000 1.355 267 I CA -1.077 60.236 61.300 0.021 0.000 1.094 267 I CB 2.129 40.138 38.000 0.015 0.000 1.365 267 I HN 0.457 nan 8.210 nan 0.000 0.435 268 P HA 0.126 nan 4.420 nan 0.000 0.272 268 P C 0.888 178.198 177.300 0.017 0.000 1.254 268 P CA 0.920 64.034 63.100 0.024 0.000 0.795 268 P CB 0.838 32.554 31.700 0.026 0.000 1.022 269 G N -0.146 108.664 108.800 0.016 0.000 2.353 269 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.258 269 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.258 269 G C 0.213 175.119 174.900 0.010 0.000 1.013 269 G CA 1.241 46.347 45.100 0.010 0.000 0.622 269 G HN 0.968 nan 8.290 nan 0.000 0.535 270 K N -1.072 119.335 120.400 0.011 0.000 2.305 270 K HA 0.683 5.003 4.320 -0.000 0.000 0.268 270 K C -3.305 173.300 176.600 0.009 0.000 1.034 270 K CA -1.827 54.465 56.287 0.009 0.000 0.879 270 K CB 0.577 33.081 32.500 0.007 0.000 1.506 270 K HN 0.012 nan 8.250 nan 0.000 0.425 271 P HA 0.176 nan 4.420 nan 0.000 0.274 271 P C -1.169 176.133 177.300 0.003 0.000 1.246 271 P CA -0.359 62.743 63.100 0.004 0.000 0.795 271 P CB 0.744 32.444 31.700 0.001 0.000 1.006 272 A N 2.574 125.395 122.820 0.001 0.000 2.279 272 A HA 0.523 4.842 4.320 -0.000 0.000 0.303 272 A C -2.153 175.424 177.584 -0.011 0.000 1.108 272 A CA -1.580 50.457 52.037 -0.001 0.000 0.830 272 A CB -0.529 18.473 19.000 0.003 0.000 1.106 272 A HN 0.450 nan 8.150 nan 0.000 0.493 273 P HA 0.086 nan 4.420 nan 0.000 0.263 273 P C -0.378 176.888 177.300 -0.057 0.000 1.247 273 P CA 0.183 63.268 63.100 -0.024 0.000 0.876 273 P CB 0.037 31.731 31.700 -0.010 0.000 0.928 274 V N 6.012 125.890 119.914 -0.060 0.000 2.452 274 V HA -0.102 4.018 4.120 -0.000 0.000 0.286 274 V C 1.888 177.893 176.094 -0.148 0.000 0.995 274 V CA 0.808 63.054 62.300 -0.091 0.000 1.116 274 V CB -0.239 31.545 31.823 -0.064 0.000 0.954 274 V HN 0.537 nan 8.190 nan 0.000 0.473 275 L N 5.738 126.809 121.223 -0.253 0.000 2.590 275 L HA 0.354 4.693 4.340 -0.000 0.000 0.227 275 L C 0.127 176.730 176.870 -0.445 0.000 1.099 275 L CA 0.386 54.960 54.840 -0.444 0.000 0.872 275 L CB 0.429 41.988 42.059 -0.833 0.000 1.088 275 L HN 0.463 nan 8.230 nan 0.000 0.479 276 I N -0.150 120.256 120.570 -0.274 0.000 2.569 276 I HA 0.307 4.477 4.170 -0.000 0.000 0.290 276 I C -0.305 175.757 176.117 -0.091 0.000 1.088 276 I CA -0.103 61.102 61.300 -0.159 0.000 1.047 276 I CB 1.850 39.795 38.000 -0.091 0.000 1.237 276 I HN -0.057 nan 8.210 nan 0.000 0.421 277 T N 0.477 114.991 114.554 -0.066 0.000 2.930 277 T HA 0.401 4.751 4.350 -0.000 0.000 0.290 277 T C 0.917 175.599 174.700 -0.030 0.000 1.052 277 T CA -0.725 61.349 62.100 -0.044 0.000 1.017 277 T CB 2.540 71.382 68.868 -0.044 0.000 1.137 277 T HN 0.541 nan 8.240 nan 0.000 0.511 278 E N 0.461 120.653 120.200 -0.013 0.000 2.108 278 E HA -0.322 4.028 4.350 -0.000 0.000 0.203 278 E C 1.893 178.461 176.600 -0.054 0.000 1.022 278 E CA 2.188 58.589 56.400 0.001 0.000 0.823 278 E CB -0.057 29.663 29.700 0.033 0.000 0.744 278 E HN 0.902 nan 8.360 nan 0.000 0.456 279 E N 0.371 120.539 120.200 -0.053 0.000 2.049 279 E HA -0.251 4.098 4.350 -0.000 0.000 0.198 279 E C 2.137 178.686 176.600 -0.085 0.000 1.007 279 E CA 2.050 58.406 56.400 -0.073 0.000 0.809 279 E CB -0.151 29.519 29.700 -0.050 0.000 0.749 279 E HN 0.226 nan 8.360 nan 0.000 0.450 280 M N 0.768 120.331 119.600 -0.062 0.000 2.065 280 M HA -0.184 4.296 4.480 -0.000 0.000 0.259 280 M C 2.611 178.878 176.300 -0.055 0.000 1.069 280 M CA 2.066 57.336 55.300 -0.051 0.000 1.110 280 M CB -0.821 31.755 32.600 -0.041 0.000 1.328 280 M HN 0.323 nan 8.290 nan 0.000 0.405 281 V N -0.333 119.551 119.914 -0.050 0.000 2.282 281 V HA -0.269 3.850 4.120 -0.000 0.000 0.249 281 V C 2.376 178.410 176.094 -0.101 0.000 1.057 281 V CA 2.612 64.889 62.300 -0.037 0.000 1.032 281 V CB -2.140 29.690 31.823 0.012 0.000 0.645 281 V HN 0.691 nan 8.190 nan 0.000 0.447 282 T N -2.511 111.895 114.554 -0.248 0.000 2.946 282 T HA -0.127 4.223 4.350 -0.000 0.000 0.271 282 T C 1.612 176.204 174.700 -0.180 0.000 1.104 282 T CA 1.378 63.235 62.100 -0.404 0.000 1.114 282 T CB -0.529 67.984 68.868 -0.592 0.000 0.867 282 T HN 0.532 nan 8.240 nan 0.000 0.513 283 K N 0.488 120.820 120.400 -0.113 0.000 2.444 283 K HA 0.330 4.650 4.320 -0.000 0.000 0.193 283 K C 0.472 177.049 176.600 -0.039 0.000 1.024 283 K CA 0.058 56.306 56.287 -0.066 0.000 1.077 283 K CB 0.011 32.479 32.500 -0.053 0.000 0.833 283 K HN 0.529 nan 8.250 nan 0.000 0.517 284 M N 2.485 122.065 119.600 -0.032 0.000 2.108 284 M HA 0.124 4.604 4.480 -0.000 0.000 0.354 284 M C 0.052 176.356 176.300 0.005 0.000 1.229 284 M CA -0.371 54.924 55.300 -0.010 0.000 1.081 284 M CB 0.884 33.485 32.600 0.001 0.000 1.606 284 M HN -0.038 nan 8.290 nan 0.000 0.467 285 K N 2.480 122.885 120.400 0.008 0.000 2.580 285 K HA 0.052 4.372 4.320 -0.000 0.000 0.278 285 K C -2.665 173.961 176.600 0.043 0.000 0.960 285 K CA -0.877 55.423 56.287 0.022 0.000 0.988 285 K CB -0.809 31.706 32.500 0.025 0.000 0.887 285 K HN 0.242 nan 8.250 nan 0.000 0.509 286 P HA 0.016 nan 4.420 nan 0.000 0.268 286 P C 0.568 177.912 177.300 0.074 0.000 1.204 286 P CA 0.997 64.129 63.100 0.054 0.000 0.768 286 P CB 0.868 32.590 31.700 0.037 0.000 0.842 287 G N 1.612 110.461 108.800 0.082 0.000 2.179 287 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.260 287 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.260 287 G C 0.497 175.523 174.900 0.210 0.000 0.977 287 G CA 0.022 45.189 45.100 0.112 0.000 0.641 287 G HN 0.560 nan 8.290 nan 0.000 0.533 288 S N -1.062 114.733 115.700 0.158 0.000 2.600 288 S HA 0.618 5.088 4.470 -0.000 0.000 0.265 288 S C 0.215 174.856 174.600 0.067 0.000 1.325 288 S CA 0.328 58.595 58.200 0.111 0.000 1.002 288 S CB 2.227 65.450 63.200 0.038 0.000 0.921 288 S HN 1.430 nan 8.310 nan 0.000 0.554 289 V N 2.077 121.982 119.914 -0.014 0.000 2.925 289 V HA 0.710 4.830 4.120 -0.000 0.000 0.311 289 V C -1.820 174.261 176.094 -0.021 0.000 1.104 289 V CA -0.716 61.586 62.300 0.002 0.000 0.954 289 V CB 1.717 33.559 31.823 0.033 0.000 1.022 289 V HN 0.707 nan 8.190 nan 0.000 0.427 290 I N 6.441 127.016 120.570 0.008 0.000 2.466 290 I HA 0.589 4.759 4.170 -0.000 0.000 0.289 290 I C -0.788 175.340 176.117 0.019 0.000 1.026 290 I CA -0.119 61.192 61.300 0.019 0.000 1.078 290 I CB 1.837 39.858 38.000 0.035 0.000 1.249 290 I HN 0.489 nan 8.210 nan 0.000 0.429 291 I N 5.390 125.977 120.570 0.028 0.000 2.378 291 I HA 0.385 4.555 4.170 -0.000 0.000 0.291 291 I C -0.307 175.831 176.117 0.035 0.000 0.992 291 I CA -0.380 60.935 61.300 0.026 0.000 1.154 291 I CB 1.199 39.225 38.000 0.043 0.000 1.315 291 I HN 0.338 nan 8.210 nan 0.000 0.448 292 D N 6.061 126.472 120.400 0.018 0.000 2.460 292 D HA 0.325 4.964 4.640 -0.000 0.000 0.232 292 D C 0.791 177.106 176.300 0.025 0.000 1.079 292 D CA -0.237 53.778 54.000 0.026 0.000 0.864 292 D CB 1.236 42.041 40.800 0.009 0.000 1.048 292 D HN 0.464 nan 8.370 nan 0.000 0.523 293 L N 1.855 123.101 121.223 0.038 0.000 2.465 293 L HA 0.016 4.356 4.340 -0.000 0.000 0.224 293 L C 1.721 178.608 176.870 0.028 0.000 1.145 293 L CA 0.509 55.370 54.840 0.036 0.000 0.834 293 L CB -0.041 42.043 42.059 0.041 0.000 0.944 293 L HN 0.328 nan 8.230 nan 0.000 0.451 294 A N -0.777 122.058 122.820 0.025 0.000 2.460 294 A HA 0.118 4.438 4.320 -0.000 0.000 0.258 294 A C 1.422 179.012 177.584 0.010 0.000 1.300 294 A CA -0.101 51.947 52.037 0.019 0.000 0.913 294 A CB 0.013 19.024 19.000 0.018 0.000 1.031 294 A HN 0.095 nan 8.150 nan 0.000 0.512 295 V N 0.122 120.040 119.914 0.008 0.000 3.488 295 V HA 0.042 4.161 4.120 -0.000 0.000 0.286 295 V C 0.752 176.847 176.094 0.001 0.000 1.206 295 V CA 1.399 63.699 62.300 -0.001 0.000 1.238 295 V CB -1.049 30.767 31.823 -0.010 0.000 1.004 295 V HN 0.648 nan 8.190 nan 0.000 0.445 296 E N 0.267 120.470 120.200 0.006 0.000 2.789 296 E HA 0.464 4.814 4.350 -0.000 0.000 0.217 296 E C 0.508 177.113 176.600 0.010 0.000 0.970 296 E CA 0.531 56.936 56.400 0.008 0.000 1.201 296 E CB 1.190 30.896 29.700 0.010 0.000 1.069 296 E HN 0.493 nan 8.360 nan 0.000 0.499 297 A N -0.041 122.784 122.820 0.007 0.000 3.292 297 A HA 0.565 4.885 4.320 -0.000 0.000 0.231 297 A C 1.004 178.589 177.584 0.001 0.000 0.952 297 A CA 0.127 52.168 52.037 0.007 0.000 1.044 297 A CB -0.267 18.740 19.000 0.011 0.000 1.236 297 A HN 0.246 nan 8.150 nan 0.000 0.525 298 G N 0.000 108.800 108.800 -0.001 0.000 2.855 298 G HA2 0.176 4.136 3.960 -0.000 0.000 0.231 298 G HA3 0.176 4.136 3.960 -0.000 0.000 0.231 298 G C 1.729 176.624 174.900 -0.009 0.000 1.242 298 G CA 1.100 46.196 45.100 -0.005 0.000 0.789 298 G HN 2.848 nan 8.290 nan 0.000 0.517 299 G N -1.104 107.691 108.800 -0.008 0.000 2.541 299 G HA2 0.059 4.019 3.960 -0.000 0.000 0.686 299 G HA3 0.059 4.019 3.960 -0.000 0.000 0.686 299 G C -0.008 174.878 174.900 -0.024 0.000 1.286 299 G CA 0.479 45.573 45.100 -0.011 0.000 0.894 299 G HN 1.044 nan 8.290 nan 0.000 0.575 300 N N -1.006 117.675 118.700 -0.031 0.000 2.336 300 N HA 0.243 4.983 4.740 -0.000 0.000 0.189 300 N C -0.006 175.448 175.510 -0.092 0.000 1.113 300 N CA 0.697 53.703 53.050 -0.073 0.000 0.858 300 N CB 0.646 39.083 38.487 -0.084 0.000 0.970 300 N HN 0.697 nan 8.380 nan 0.000 0.471 301 C N 1.521 120.790 119.300 -0.051 0.000 2.679 301 C HA 0.289 4.748 4.460 -0.000 0.000 0.354 301 C C -1.595 173.380 174.990 -0.025 0.000 1.067 301 C CA -1.771 57.221 59.018 -0.042 0.000 1.317 301 C CB 1.237 28.963 27.740 -0.022 0.000 1.843 301 C HN 0.173 nan 8.230 nan 0.000 0.459 302 P HA -0.181 nan 4.420 nan 0.000 0.217 302 P C 1.526 178.822 177.300 -0.007 0.000 1.151 302 P CA 1.618 64.709 63.100 -0.014 0.000 0.849 302 P CB 0.187 31.879 31.700 -0.014 0.000 0.787 303 L N 0.059 121.281 121.223 -0.002 0.000 2.265 303 L HA -0.090 4.250 4.340 -0.000 0.000 0.215 303 L C 1.662 178.530 176.870 -0.004 0.000 1.117 303 L CA 0.628 55.471 54.840 0.004 0.000 0.782 303 L CB -0.950 41.121 42.059 0.019 0.000 0.914 303 L HN 0.070 nan 8.230 nan 0.000 0.441 304 S N 0.020 115.715 115.700 -0.009 0.000 2.572 304 S HA 0.127 4.597 4.470 -0.000 0.000 0.267 304 S C -0.068 174.521 174.600 -0.019 0.000 1.361 304 S CA -0.359 57.831 58.200 -0.018 0.000 1.009 304 S CB 0.893 64.082 63.200 -0.019 0.000 0.888 304 S HN 0.208 nan 8.310 nan 0.000 0.553 305 E N 0.791 120.974 120.200 -0.028 0.000 2.294 305 E HA 0.290 4.639 4.350 -0.000 0.000 0.272 305 E C -2.994 173.590 176.600 -0.026 0.000 0.896 305 E CA -2.210 54.176 56.400 -0.023 0.000 0.802 305 E CB 1.943 31.631 29.700 -0.021 0.000 1.267 305 E HN 0.358 nan 8.360 nan 0.000 0.406 306 P HA -0.084 nan 4.420 nan 0.000 0.251 306 P C 0.565 177.862 177.300 -0.005 0.000 1.154 306 P CA 1.368 64.463 63.100 -0.008 0.000 0.805 306 P CB 0.081 31.780 31.700 -0.002 0.000 0.759 307 G N 2.205 111.004 108.800 -0.002 0.000 2.132 307 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.234 307 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.234 307 G C -0.167 174.737 174.900 0.007 0.000 0.989 307 G CA 0.232 45.344 45.100 0.020 0.000 0.676 307 G HN 0.664 nan 8.290 nan 0.000 0.522 308 K N -1.165 119.208 120.400 -0.045 0.000 2.555 308 K HA 0.768 5.088 4.320 -0.000 0.000 0.279 308 K C -0.776 175.760 176.600 -0.107 0.000 0.986 308 K CA -1.380 54.876 56.287 -0.051 0.000 0.880 308 K CB 1.579 34.066 32.500 -0.021 0.000 1.474 308 K HN 0.069 nan 8.250 nan 0.000 0.433 309 I N 2.392 122.918 120.570 -0.074 0.000 2.347 309 I HA 0.170 4.340 4.170 -0.000 0.000 0.283 309 I C -0.581 175.517 176.117 -0.032 0.000 1.058 309 I CA -1.102 60.155 61.300 -0.072 0.000 1.202 309 I CB 1.533 39.513 38.000 -0.034 0.000 1.386 309 I HN 0.383 nan 8.210 nan 0.000 0.475 310 V N 7.897 127.791 119.914 -0.033 0.000 2.481 310 V HA 0.461 4.581 4.120 -0.000 0.000 0.286 310 V C -0.556 175.531 176.094 -0.012 0.000 1.042 310 V CA -0.333 61.955 62.300 -0.020 0.000 0.928 310 V CB 2.101 33.912 31.823 -0.020 0.000 0.986 310 V HN 0.412 nan 8.190 nan 0.000 0.462 311 V N 7.150 127.058 119.914 -0.010 0.000 2.384 311 V HA 0.747 4.867 4.120 -0.000 0.000 0.287 311 V C -0.469 175.613 176.094 -0.020 0.000 1.020 311 V CA -0.509 61.789 62.300 -0.004 0.000 0.850 311 V CB 1.532 33.355 31.823 0.001 0.000 0.987 311 V HN 1.066 nan 8.190 nan 0.000 0.436 312 K N 4.930 125.327 120.400 -0.006 0.000 2.443 312 K HA 0.545 4.865 4.320 -0.000 0.000 0.252 312 K C -0.055 176.560 176.600 0.024 0.000 0.933 312 K CA -0.314 55.942 56.287 -0.052 0.000 0.792 312 K CB 0.588 33.086 32.500 -0.003 0.000 1.185 312 K HN 0.835 nan 8.250 nan 0.000 0.425 313 H N 2.518 121.590 119.070 0.002 0.000 2.839 313 H HA -0.171 4.385 4.556 -0.000 0.000 0.298 313 H C 0.604 175.937 175.328 0.007 0.000 1.224 313 H CA 1.307 57.357 56.048 0.003 0.000 1.144 313 H CB -1.378 28.385 29.762 0.002 0.000 1.372 313 H HN 1.147 nan 8.280 nan 0.000 0.408 314 G N -1.027 107.811 108.800 0.064 0.000 2.168 314 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.257 314 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.257 314 G C 0.254 175.194 174.900 0.066 0.000 0.997 314 G CA 0.471 45.604 45.100 0.055 0.000 0.708 314 G HN 0.501 nan 8.290 nan 0.000 0.520 315 V N -0.220 119.739 119.914 0.074 0.000 2.715 315 V HA 0.589 4.709 4.120 -0.000 0.000 0.310 315 V C 0.271 176.395 176.094 0.050 0.000 1.054 315 V CA -0.948 61.393 62.300 0.068 0.000 0.928 315 V CB 2.036 33.905 31.823 0.077 0.000 1.007 315 V HN 0.263 nan 8.190 nan 0.000 0.437 316 K N 3.405 123.833 120.400 0.047 0.000 2.206 316 K HA 0.649 4.968 4.320 -0.000 0.000 0.264 316 K C -1.431 175.182 176.600 0.022 0.000 0.967 316 K CA -0.603 55.704 56.287 0.033 0.000 0.844 316 K CB 1.771 34.297 32.500 0.044 0.000 1.099 316 K HN 0.400 nan 8.250 nan 0.000 0.441 317 I N 3.493 124.065 120.570 0.005 0.000 2.405 317 I HA 0.097 4.267 4.170 -0.000 0.000 0.280 317 I C -0.696 175.394 176.117 -0.046 0.000 1.027 317 I CA -0.576 60.719 61.300 -0.009 0.000 1.161 317 I CB 1.548 39.546 38.000 -0.004 0.000 1.300 317 I HN 0.220 nan 8.210 nan 0.000 0.463 318 V N 4.619 124.497 119.914 -0.060 0.000 2.408 318 V HA 0.566 4.686 4.120 -0.000 0.000 0.267 318 V C 0.981 176.965 176.094 -0.185 0.000 1.047 318 V CA -0.459 61.745 62.300 -0.161 0.000 0.937 318 V CB 0.759 32.517 31.823 -0.108 0.000 0.999 318 V HN 0.855 nan 8.190 nan 0.000 0.472 319 G N 3.902 112.549 108.800 -0.255 0.000 4.487 319 G HA2 0.328 4.288 3.960 -0.000 0.000 0.339 319 G HA3 0.328 4.288 3.960 -0.000 0.000 0.339 319 G C -0.135 174.671 174.900 -0.156 0.000 1.482 319 G CA -0.442 44.568 45.100 -0.151 0.000 1.069 319 G HN 0.681 nan 8.290 nan 0.000 0.515 320 H N 1.033 120.104 119.070 0.002 0.000 2.629 320 H HA 0.330 4.886 4.556 -0.000 0.000 0.357 320 H C 0.608 175.928 175.328 -0.014 0.000 1.121 320 H CA 0.322 56.366 56.048 -0.007 0.000 1.406 320 H CB 1.580 31.334 29.762 -0.013 0.000 1.456 320 H HN 0.430 nan 8.280 nan 0.000 0.579 321 T N -0.744 113.884 114.554 0.123 0.000 2.824 321 T HA 0.243 4.593 4.350 -0.000 0.000 0.280 321 T C 0.422 175.132 174.700 0.016 0.000 0.995 321 T CA -0.993 61.135 62.100 0.047 0.000 1.009 321 T CB 0.921 69.805 68.868 0.027 0.000 0.955 321 T HN 0.671 nan 8.240 nan 0.000 0.452 322 N N 0.578 119.269 118.700 -0.015 0.000 2.815 322 N HA -0.155 4.585 4.740 -0.000 0.000 0.249 322 N C 0.891 176.370 175.510 -0.052 0.000 1.114 322 N CA 0.723 53.741 53.050 -0.052 0.000 0.717 322 N CB -1.698 36.752 38.487 -0.063 0.000 1.074 322 N HN 0.520 nan 8.380 nan 0.000 0.555 323 V N -0.285 119.615 119.914 -0.024 0.000 2.428 323 V HA -0.241 3.879 4.120 -0.000 0.000 0.255 323 V C -0.550 175.519 176.094 -0.042 0.000 1.080 323 V CA 2.491 64.776 62.300 -0.024 0.000 1.083 323 V CB -0.777 31.050 31.823 0.007 0.000 0.665 323 V HN 0.363 nan 8.190 nan 0.000 0.461 324 P HA -0.092 nan 4.420 nan 0.000 0.221 324 P C 2.017 179.265 177.300 -0.086 0.000 1.150 324 P CA 1.587 64.647 63.100 -0.067 0.000 0.800 324 P CB -0.036 31.605 31.700 -0.098 0.000 0.787 325 S N -0.459 115.180 115.700 -0.101 0.000 2.428 325 S HA -0.093 4.377 4.470 -0.000 0.000 0.230 325 S C 1.706 176.253 174.600 -0.088 0.000 1.014 325 S CA 0.781 58.918 58.200 -0.105 0.000 0.957 325 S CB -0.592 62.545 63.200 -0.106 0.000 0.784 325 S HN 0.040 nan 8.310 nan 0.000 0.499 326 R N 0.259 120.706 120.500 -0.087 0.000 2.357 326 R HA 0.041 4.380 4.340 -0.000 0.000 0.202 326 R C 0.540 176.806 176.300 -0.056 0.000 1.047 326 R CA 0.765 56.808 56.100 -0.096 0.000 1.034 326 R CB -0.019 30.202 30.300 -0.131 0.000 0.875 326 R HN 0.344 nan 8.270 nan 0.000 0.473 327 V N -1.552 118.338 119.914 -0.040 0.000 3.199 327 V HA 0.245 4.365 4.120 -0.000 0.000 0.331 327 V C 1.529 177.596 176.094 -0.044 0.000 1.446 327 V CA 0.239 62.531 62.300 -0.014 0.000 1.120 327 V CB 0.523 32.361 31.823 0.026 0.000 1.051 327 V HN 0.189 nan 8.190 nan 0.000 0.495 328 A N 2.037 124.819 122.820 -0.063 0.000 1.887 328 A HA -0.348 3.971 4.320 -0.000 0.000 0.225 328 A C 2.453 179.999 177.584 -0.064 0.000 1.464 328 A CA 3.318 55.310 52.037 -0.075 0.000 0.717 328 A CB -1.151 17.803 19.000 -0.076 0.000 0.848 328 A HN 1.033 nan 8.150 nan 0.000 0.477 329 A N -1.848 120.939 122.820 -0.054 0.000 1.997 329 A HA -0.261 4.059 4.320 -0.000 0.000 0.221 329 A C 1.898 179.452 177.584 -0.049 0.000 1.172 329 A CA 2.338 54.346 52.037 -0.048 0.000 0.645 329 A CB -0.543 18.431 19.000 -0.043 0.000 0.813 329 A HN 0.634 nan 8.150 nan 0.000 0.454 330 D N -1.348 119.020 120.400 -0.055 0.000 2.323 330 D HA 0.219 4.859 4.640 -0.000 0.000 0.218 330 D C 2.321 178.592 176.300 -0.048 0.000 0.973 330 D CA 0.945 54.910 54.000 -0.060 0.000 0.890 330 D CB -0.050 40.699 40.800 -0.085 0.000 1.011 330 D HN 0.334 nan 8.370 nan 0.000 0.499 331 A N 0.879 123.670 122.820 -0.047 0.000 1.859 331 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 331 A C 2.428 179.999 177.584 -0.022 0.000 1.198 331 A CA 2.238 54.252 52.037 -0.039 0.000 0.629 331 A CB -0.848 18.111 19.000 -0.069 0.000 0.830 331 A HN 0.172 nan 8.150 nan 0.000 0.446 332 S N 0.160 115.830 115.700 -0.050 0.000 2.365 332 S HA -0.125 4.345 4.470 -0.000 0.000 0.225 332 S C -0.097 174.505 174.600 0.003 0.000 1.039 332 S CA 1.834 60.014 58.200 -0.033 0.000 1.033 332 S CB -1.181 61.984 63.200 -0.060 0.000 0.887 332 S HN 0.667 nan 8.310 nan 0.000 0.447 333 P HA -0.047 nan 4.420 nan 0.000 0.218 333 P C 1.409 178.694 177.300 -0.025 0.000 1.149 333 P CA 0.918 64.002 63.100 -0.026 0.000 0.817 333 P CB -0.159 31.523 31.700 -0.031 0.000 0.785 334 L N -2.166 119.053 121.223 -0.006 0.000 2.093 334 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 334 L C 2.675 179.543 176.870 -0.004 0.000 1.085 334 L CA 1.416 56.251 54.840 -0.010 0.000 0.755 334 L CB -0.917 41.145 42.059 0.004 0.000 0.904 334 L HN -0.093 nan 8.230 nan 0.000 0.435 335 F N 0.869 120.734 119.950 -0.142 0.000 2.113 335 F HA -0.187 4.340 4.527 -0.000 0.000 0.297 335 F C 2.552 178.192 175.800 -0.266 0.000 1.103 335 F CA 1.229 59.118 58.000 -0.185 0.000 1.248 335 F CB -0.347 38.546 39.000 -0.178 0.000 0.999 335 F HN 0.012 nan 8.300 nan 0.000 0.475 336 A N 0.404 123.165 122.820 -0.098 0.000 1.915 336 A HA -0.287 4.033 4.320 -0.000 0.000 0.220 336 A C 2.370 179.739 177.584 -0.358 0.000 1.198 336 A CA 2.132 53.999 52.037 -0.283 0.000 0.647 336 A CB -0.764 18.142 19.000 -0.156 0.000 0.825 336 A HN 0.334 nan 8.150 nan 0.000 0.456 337 K N -0.671 119.595 120.400 -0.225 0.000 1.973 337 K HA -0.149 4.171 4.320 -0.000 0.000 0.212 337 K C 1.843 178.308 176.600 -0.224 0.000 1.047 337 K CA 1.561 57.742 56.287 -0.176 0.000 0.937 337 K CB -0.802 31.634 32.500 -0.106 0.000 0.721 337 K HN 0.672 nan 8.250 nan 0.000 0.440 338 N N 0.482 119.020 118.700 -0.270 0.000 2.139 338 N HA -0.256 4.484 4.740 -0.000 0.000 0.199 338 N C 1.666 176.978 175.510 -0.329 0.000 1.003 338 N CA 1.289 54.152 53.050 -0.311 0.000 0.892 338 N CB -0.102 38.108 38.487 -0.461 0.000 1.039 338 N HN -0.027 nan 8.380 nan 0.000 0.461 339 L N 0.405 121.340 121.223 -0.480 0.000 1.971 339 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 339 L C 2.189 179.095 176.870 0.059 0.000 1.083 339 L CA 1.091 55.714 54.840 -0.361 0.000 0.753 339 L CB -1.505 39.885 42.059 -1.115 0.000 0.893 339 L HN 0.215 nan 8.230 nan 0.000 0.436 340 L N 0.215 121.397 121.223 -0.069 0.000 2.010 340 L HA -0.290 4.050 4.340 -0.000 0.000 0.219 340 L C 2.130 179.054 176.870 0.090 0.000 1.077 340 L CA 1.950 56.855 54.840 0.109 0.000 0.773 340 L CB -1.125 40.952 42.059 0.030 0.000 0.892 340 L HN 0.395 nan 8.230 nan 0.000 0.436 341 N N -1.210 117.511 118.700 0.035 0.000 2.635 341 N HA -0.185 4.555 4.740 -0.000 0.000 0.191 341 N C 1.455 177.028 175.510 0.105 0.000 1.155 341 N CA 1.370 54.448 53.050 0.047 0.000 0.927 341 N CB -0.179 38.313 38.487 0.008 0.000 0.976 341 N HN 0.694 nan 8.380 nan 0.000 0.448 342 F N -0.523 119.382 119.950 -0.074 0.000 2.490 342 F HA 0.258 4.785 4.527 -0.000 0.000 0.280 342 F C 1.893 177.616 175.800 -0.128 0.000 1.030 342 F CA -0.105 57.824 58.000 -0.119 0.000 1.367 342 F CB -0.647 38.248 39.000 -0.174 0.000 1.131 342 F HN -0.159 nan 8.300 nan 0.000 0.632 343 L N 1.102 122.204 121.223 -0.202 0.000 1.937 343 L HA -0.197 4.143 4.340 -0.000 0.000 0.213 343 L C 2.536 179.359 176.870 -0.077 0.000 1.077 343 L CA 2.863 57.530 54.840 -0.288 0.000 0.758 343 L CB -0.981 41.079 42.059 0.001 0.000 0.888 343 L HN 0.489 nan 8.230 nan 0.000 0.433 344 T N -1.791 112.787 114.554 0.040 0.000 2.780 344 T HA -0.259 4.091 4.350 -0.000 0.000 0.255 344 T C -0.531 174.217 174.700 0.080 0.000 1.065 344 T CA 2.107 64.263 62.100 0.093 0.000 1.155 344 T CB -2.658 66.258 68.868 0.081 0.000 0.837 344 T HN 0.380 nan 8.240 nan 0.000 0.479 345 P HA 0.078 nan 4.420 nan 0.000 0.227 345 P C 0.394 177.670 177.300 -0.039 0.000 1.161 345 P CA 0.796 63.916 63.100 0.034 0.000 0.788 345 P CB -0.114 31.600 31.700 0.023 0.000 0.822 346 H N -1.099 117.897 119.070 -0.123 0.000 2.770 346 H HA 0.378 4.934 4.556 -0.000 0.000 0.315 346 H C -0.345 174.939 175.328 -0.074 0.000 1.127 346 H CA -0.198 55.770 56.048 -0.133 0.000 1.155 346 H CB -0.589 29.012 29.762 -0.270 0.000 1.397 346 H HN -0.094 nan 8.280 nan 0.000 0.538 347 V N 0.781 120.716 119.914 0.036 0.000 2.697 347 V HA 0.086 4.206 4.120 -0.000 0.000 0.300 347 V C -1.025 175.057 176.094 -0.021 0.000 1.115 347 V CA -0.969 61.349 62.300 0.029 0.000 0.912 347 V CB 2.073 33.969 31.823 0.122 0.000 1.024 347 V HN 0.264 nan 8.190 nan 0.000 0.431 348 D N 5.998 126.368 120.400 -0.051 0.000 2.398 348 D HA 0.128 4.768 4.640 -0.000 0.000 0.250 348 D C 1.281 177.528 176.300 -0.088 0.000 1.287 348 D CA -0.015 53.948 54.000 -0.061 0.000 0.992 348 D CB 1.020 41.785 40.800 -0.058 0.000 1.071 348 D HN 0.760 nan 8.370 nan 0.000 0.514 349 K N 1.999 122.357 120.400 -0.071 0.000 2.103 349 K HA -0.108 4.212 4.320 -0.000 0.000 0.204 349 K C 1.038 177.593 176.600 -0.075 0.000 1.052 349 K CA 0.364 56.601 56.287 -0.084 0.000 0.945 349 K CB 0.301 32.779 32.500 -0.036 0.000 0.722 349 K HN 0.087 nan 8.250 nan 0.000 0.443 350 D N 1.472 121.840 120.400 -0.054 0.000 2.144 350 D HA -0.109 4.531 4.640 -0.000 0.000 0.199 350 D C 1.861 178.129 176.300 -0.053 0.000 0.984 350 D CA 1.914 55.887 54.000 -0.045 0.000 0.834 350 D CB 0.018 40.798 40.800 -0.034 0.000 0.955 350 D HN 0.522 nan 8.370 nan 0.000 0.465 351 T N -3.299 111.217 114.554 -0.062 0.000 3.054 351 T HA 0.191 4.541 4.350 -0.000 0.000 0.255 351 T C 0.461 175.109 174.700 -0.087 0.000 1.035 351 T CA -0.283 61.779 62.100 -0.063 0.000 0.941 351 T CB 0.469 69.305 68.868 -0.052 0.000 1.026 351 T HN -0.213 nan 8.240 nan 0.000 0.533 352 K N 0.863 121.190 120.400 -0.122 0.000 3.898 352 K HA -0.094 4.226 4.320 -0.000 0.000 0.282 352 K C -0.541 175.954 176.600 -0.175 0.000 1.014 352 K CA 0.965 57.141 56.287 -0.184 0.000 0.848 352 K CB -1.954 30.450 32.500 -0.161 0.000 1.469 352 K HN 0.649 nan 8.250 nan 0.000 0.446 353 T N 0.234 114.687 114.554 -0.168 0.000 2.907 353 T HA 0.403 4.753 4.350 -0.000 0.000 0.344 353 T C -1.227 173.426 174.700 -0.077 0.000 1.675 353 T CA -0.805 61.225 62.100 -0.115 0.000 1.076 353 T CB 0.515 69.340 68.868 -0.072 0.000 1.483 353 T HN 0.431 nan 8.240 nan 0.000 0.487 354 L N 2.745 123.948 121.223 -0.033 0.000 2.583 354 L HA 0.432 4.772 4.340 -0.000 0.000 0.280 354 L C 0.934 177.814 176.870 0.016 0.000 1.261 354 L CA -0.356 54.493 54.840 0.016 0.000 1.164 354 L CB -0.533 41.558 42.059 0.054 0.000 1.402 354 L HN 0.339 nan 8.230 nan 0.000 0.443 355 V N 5.611 125.522 119.914 -0.004 0.000 3.226 355 V HA 0.092 4.212 4.120 -0.000 0.000 0.385 355 V C 0.852 176.921 176.094 -0.041 0.000 1.268 355 V CA -0.564 61.721 62.300 -0.024 0.000 1.443 355 V CB -0.589 31.206 31.823 -0.047 0.000 1.290 355 V HN 0.855 nan 8.190 nan 0.000 0.490 356 M N 0.333 119.949 119.600 0.026 0.000 2.284 356 M HA 0.182 4.662 4.480 -0.000 0.000 0.351 356 M C 0.323 176.614 176.300 -0.015 0.000 1.443 356 M CA 0.481 55.823 55.300 0.071 0.000 1.031 356 M CB -0.879 31.872 32.600 0.251 0.000 1.893 356 M HN 0.075 nan 8.290 nan 0.000 0.456 357 K N 3.353 123.598 120.400 -0.257 0.000 2.255 357 K HA -0.029 4.291 4.320 -0.000 0.000 0.269 357 K C 0.090 176.709 176.600 0.030 0.000 1.158 357 K CA 0.072 56.269 56.287 -0.149 0.000 1.155 357 K CB -0.273 32.084 32.500 -0.238 0.000 0.889 357 K HN 0.826 nan 8.250 nan 0.000 0.440 358 L N 3.281 124.525 121.223 0.035 0.000 2.651 358 L HA -0.152 4.187 4.340 -0.000 0.000 0.236 358 L C 0.266 177.172 176.870 0.060 0.000 1.173 358 L CA 1.265 56.143 54.840 0.063 0.000 0.843 358 L CB -0.283 41.799 42.059 0.038 0.000 0.964 358 L HN 0.593 nan 8.230 nan 0.000 0.454 359 E N -0.702 119.529 120.200 0.051 0.000 3.832 359 E HA 0.169 4.519 4.350 -0.000 0.000 0.250 359 E C -1.022 175.613 176.600 0.059 0.000 1.215 359 E CA -0.180 56.249 56.400 0.049 0.000 1.179 359 E CB 0.731 30.446 29.700 0.024 0.000 1.270 359 E HN -0.001 nan 8.360 nan 0.000 0.405 360 D N 0.680 121.144 120.400 0.106 0.000 2.646 360 D HA 0.127 4.767 4.640 -0.000 0.000 0.245 360 D C 0.921 177.313 176.300 0.154 0.000 1.099 360 D CA -0.520 53.559 54.000 0.132 0.000 0.849 360 D CB 1.396 42.320 40.800 0.207 0.000 1.448 360 D HN 0.030 nan 8.370 nan 0.000 0.489 361 E N 0.971 121.244 120.200 0.122 0.000 2.324 361 E HA -0.279 4.071 4.350 -0.000 0.000 0.205 361 E C 1.146 177.834 176.600 0.148 0.000 1.031 361 E CA 1.460 57.929 56.400 0.115 0.000 0.836 361 E CB 0.116 29.872 29.700 0.093 0.000 0.742 361 E HN 0.512 nan 8.360 nan 0.000 0.491 362 T N -0.094 114.572 114.554 0.187 0.000 2.739 362 T HA -0.072 4.278 4.350 -0.000 0.000 0.246 362 T C 2.013 176.886 174.700 0.288 0.000 1.058 362 T CA 1.198 63.435 62.100 0.229 0.000 1.184 362 T CB -0.256 68.718 68.868 0.176 0.000 0.887 362 T HN 0.006 nan 8.240 nan 0.000 0.408 363 V N 2.805 122.904 119.914 0.308 0.000 2.453 363 V HA -0.168 3.952 4.120 -0.000 0.000 0.252 363 V C 2.972 179.220 176.094 0.257 0.000 1.068 363 V CA 2.259 64.798 62.300 0.399 0.000 1.070 363 V CB -1.200 30.854 31.823 0.384 0.000 0.664 363 V HN 0.792 nan 8.190 nan 0.000 0.461 364 S N 1.195 117.013 115.700 0.196 0.000 2.368 364 S HA -0.096 4.374 4.470 -0.000 0.000 0.224 364 S C 2.056 176.750 174.600 0.157 0.000 1.029 364 S CA 1.443 59.724 58.200 0.135 0.000 0.988 364 S CB -0.871 62.390 63.200 0.101 0.000 0.838 364 S HN 0.536 nan 8.310 nan 0.000 0.462 365 G N 0.332 109.240 108.800 0.181 0.000 2.572 365 G HA2 0.109 4.069 3.960 -0.000 0.000 0.216 365 G HA3 0.109 4.069 3.960 -0.000 0.000 0.216 365 G C 1.203 176.226 174.900 0.205 0.000 1.133 365 G CA 1.037 46.255 45.100 0.196 0.000 0.791 365 G HN 0.529 nan 8.290 nan 0.000 0.538 366 T N -0.194 114.491 114.554 0.217 0.000 3.266 366 T HA 0.018 4.368 4.350 -0.000 0.000 0.215 366 T C 1.340 176.075 174.700 0.058 0.000 0.957 366 T CA 0.436 62.655 62.100 0.199 0.000 1.730 366 T CB -0.473 68.627 68.868 0.387 0.000 1.427 366 T HN 0.187 nan 8.240 nan 0.000 0.445 367 C N 3.303 122.552 119.300 -0.086 0.000 2.590 367 C HA 0.238 4.697 4.460 -0.000 0.000 0.411 367 C C 1.759 176.699 174.990 -0.083 0.000 1.420 367 C CA -0.272 58.542 59.018 -0.340 0.000 1.643 367 C CB -0.991 26.434 27.740 -0.526 0.000 2.528 367 C HN 0.455 nan 8.230 nan 0.000 0.606 368 V N 4.538 124.394 119.914 -0.097 0.000 3.570 368 V HA 0.208 4.328 4.120 -0.000 0.000 0.257 368 V C 1.103 177.186 176.094 -0.018 0.000 1.272 368 V CA 0.979 63.280 62.300 0.001 0.000 1.079 368 V CB 0.102 31.914 31.823 -0.019 0.000 0.829 368 V HN 0.935 nan 8.190 nan 0.000 0.454 369 T N 2.192 116.708 114.554 -0.063 0.000 2.848 369 T HA 0.576 4.926 4.350 -0.000 0.000 0.285 369 T C -1.088 173.577 174.700 -0.057 0.000 0.995 369 T CA -0.609 61.465 62.100 -0.044 0.000 0.970 369 T CB 0.986 69.837 68.868 -0.029 0.000 0.976 369 T HN 0.132 nan 8.240 nan 0.000 0.441 370 R N 3.935 124.415 120.500 -0.033 0.000 2.502 370 R HA 0.307 4.647 4.340 -0.000 0.000 0.298 370 R C -1.071 175.224 176.300 -0.009 0.000 1.018 370 R CA -0.710 55.376 56.100 -0.024 0.000 0.899 370 R CB 1.004 31.292 30.300 -0.019 0.000 1.181 370 R HN 0.851 nan 8.270 nan 0.000 0.444 371 D N 2.130 122.528 120.400 -0.003 0.000 2.890 371 D HA -0.193 4.447 4.640 -0.000 0.000 0.226 371 D C 1.175 177.476 176.300 0.001 0.000 1.207 371 D CA 2.060 56.061 54.000 0.002 0.000 0.764 371 D CB -0.913 39.890 40.800 0.004 0.000 0.948 371 D HN 0.984 nan 8.370 nan 0.000 0.404 372 G N -1.112 107.689 108.800 0.001 0.000 2.347 372 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.247 372 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.247 372 G C 0.508 175.408 174.900 0.001 0.000 1.037 372 G CA 0.690 45.791 45.100 0.002 0.000 0.622 372 G HN 1.390 nan 8.290 nan 0.000 0.521 373 A N -0.063 122.757 122.820 -0.001 0.000 2.320 373 A HA 0.833 5.153 4.320 -0.000 0.000 0.334 373 A C 0.008 177.590 177.584 -0.003 0.000 1.147 373 A CA -0.544 51.492 52.037 -0.001 0.000 0.820 373 A CB 0.906 19.905 19.000 -0.002 0.000 1.218 373 A HN 0.693 nan 8.150 nan 0.000 0.482 374 I N 1.844 122.414 120.570 0.000 0.000 2.385 374 I HA 0.272 4.442 4.170 -0.000 0.000 0.294 374 I C 0.588 176.709 176.117 0.008 0.000 0.988 374 I CA -0.368 60.934 61.300 0.004 0.000 1.265 374 I CB 1.868 39.873 38.000 0.008 0.000 1.388 374 I HN 0.452 nan 8.210 nan 0.000 0.480 375 V N 3.107 123.030 119.914 0.015 0.000 2.788 375 V HA -0.009 4.111 4.120 -0.000 0.000 0.241 375 V C 0.738 176.848 176.094 0.026 0.000 1.083 375 V CA 0.385 62.694 62.300 0.016 0.000 1.103 375 V CB -0.589 31.234 31.823 -0.000 0.000 0.800 375 V HN 0.712 nan 8.190 nan 0.000 0.476 376 H N 2.453 121.507 119.070 -0.027 0.000 2.607 376 H HA 0.396 4.951 4.556 -0.000 0.000 0.367 376 H C -1.776 173.545 175.328 -0.012 0.000 1.181 376 H CA -1.347 54.689 56.048 -0.020 0.000 1.402 376 H CB 0.772 30.520 29.762 -0.023 0.000 1.474 376 H HN 0.226 nan 8.280 nan 0.000 0.596 377 P HA 0.000 nan 4.420 nan 0.000 0.216 377 P CA 0.000 63.077 63.100 -0.038 0.000 0.800 377 P CB 0.000 31.626 31.700 -0.124 0.000 0.726