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 1s4f_1_B DATA FIRST_RESID 92 DATA SEQUENCE VIREHNKWIL KKIRFQGNLN TKKMLNPGKL SEQLDREGRK RNIYNHQIGT DATA SEQUENCE IMSSAGIRLE KLPIVRAQTD TKTFHEAIRD KIDKSENRQN PELHNKLLEI DATA SEQUENCE FHTIAQPTLK HTYGEVTWEQ LEAGVNRKGA AGFLEKKNIG EVLDSEKHLV DATA SEQUENCE EQLVRDLKAG RKIKYYETAI PKNEKRDVSD DWQAGDLVVE KRPRVIQYPE DATA SEQUENCE AKTRLAITKV MYNWVKQQPV VIPGYEGKTP LFNIFDKVRK EWDSFNEPVA DATA SEQUENCE VSFDTKAWDT QVTSKDLQLI GEIQKYYYKK EWHKFIDTIT DHMTEVPVIT DATA SEQUENCE ADGEVYIRNG QRGSGQPDTS AGNSMLNVLT MMYAFCESTG VPYKSFNRVA DATA SEQUENCE RIHVcGDDGF LITEKGLGLK FANKGMQILH EAGKPQKITE GEKMKVAYRF DATA SEQUENCE EDIEFcSHTP VPVRWSDNTS SHMAGRDTAV ILSKMATRLD SSGERGTTAY DATA SEQUENCE EKAVAFSFLL MYSWNPLVRR ICLLVLSQQP ETDPSKHATY YYKGDPIGAY DATA SEQUENCE KDVIGRNLSE LKRTGFEKLA NLNLSLSTLG VWTKHTSKRI IQDCVAIGKE DATA SEQUENCE EGNWLVKPDR LISSKTGHLY IPDKGFTLQG KHY 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 92 V HA 0.000 nan 4.120 nan 0.000 0.244 92 V C 0.000 176.094 176.094 0.001 0.000 1.182 92 V CA 0.000 62.298 62.300 -0.003 0.000 1.235 92 V CB 0.000 31.819 31.823 -0.007 0.000 1.184 93 I N -1.881 118.691 120.570 0.004 0.000 3.067 93 I HA 0.733 4.903 4.170 -0.000 0.000 0.312 93 I C 0.076 176.214 176.117 0.036 0.000 1.073 93 I CA -1.225 60.085 61.300 0.016 0.000 1.016 93 I CB 1.787 39.789 38.000 0.003 0.000 1.227 93 I HN -0.107 nan 8.210 nan 0.000 0.456 94 R N 1.805 122.350 120.500 0.075 0.000 2.594 94 R HA 0.135 4.475 4.340 -0.000 0.000 0.272 94 R C 0.811 177.198 176.300 0.146 0.000 1.074 94 R CA -0.505 55.651 56.100 0.093 0.000 1.105 94 R CB 0.653 31.026 30.300 0.122 0.000 1.008 94 R HN 0.667 nan 8.270 nan 0.000 0.472 95 E N 1.901 122.150 120.200 0.082 0.000 2.070 95 E HA -0.253 4.097 4.350 -0.000 0.000 0.197 95 E C 1.691 178.431 176.600 0.234 0.000 1.004 95 E CA 1.963 58.428 56.400 0.107 0.000 0.805 95 E CB -0.245 29.483 29.700 0.047 0.000 0.744 95 E HN 0.732 nan 8.360 nan 0.000 0.451 96 H N -1.034 118.096 119.070 0.100 0.000 2.567 96 H HA 0.117 4.673 4.556 -0.000 0.000 0.276 96 H C 1.320 176.829 175.328 0.302 0.000 1.016 96 H CA 0.392 56.538 56.048 0.164 0.000 1.186 96 H CB 0.169 29.999 29.762 0.113 0.000 1.351 96 H HN -0.014 nan 8.280 nan 0.000 0.605 97 N N 1.115 120.026 118.700 0.352 0.000 2.454 97 N HA -0.021 4.719 4.740 -0.000 0.000 0.177 97 N C 1.375 176.796 175.510 -0.149 0.000 1.049 97 N CA 0.334 53.429 53.050 0.074 0.000 0.887 97 N CB 0.142 38.645 38.487 0.028 0.000 1.095 97 N HN 0.363 nan 8.380 nan 0.000 0.446 98 K N 1.214 121.616 120.400 0.003 0.000 2.293 98 K HA -0.165 4.155 4.320 -0.000 0.000 0.204 98 K C 1.879 178.438 176.600 -0.068 0.000 1.045 98 K CA 1.104 57.363 56.287 -0.046 0.000 0.933 98 K CB -0.225 32.296 32.500 0.034 0.000 0.736 98 K HN 0.484 nan 8.250 nan 0.000 0.463 99 W N 0.996 122.300 121.300 0.008 0.000 2.325 99 W HA -0.243 4.417 4.660 -0.000 0.000 0.299 99 W C 1.529 178.041 176.519 -0.011 0.000 1.215 99 W CA 0.433 57.776 57.345 -0.002 0.000 1.244 99 W CB -1.083 28.374 29.460 -0.006 0.000 1.140 99 W HN -0.001 nan 8.180 nan 0.000 0.523 100 I N 2.343 122.187 120.570 -1.209 0.000 2.151 100 I HA -0.310 3.860 4.170 -0.000 0.000 0.243 100 I C 2.658 178.517 176.117 -0.430 0.000 1.080 100 I CA 1.686 62.309 61.300 -1.128 0.000 1.339 100 I CB -0.815 36.479 38.000 -1.177 0.000 1.039 100 I HN -0.044 nan 8.210 nan 0.000 0.409 101 L N -0.153 120.887 121.223 -0.304 0.000 2.263 101 L HA -0.266 4.074 4.340 -0.000 0.000 0.216 101 L C 2.314 179.123 176.870 -0.101 0.000 1.111 101 L CA 1.344 56.086 54.840 -0.165 0.000 0.773 101 L CB -0.906 41.083 42.059 -0.118 0.000 0.906 101 L HN 0.233 nan 8.230 nan 0.000 0.439 102 K N 0.012 120.372 120.400 -0.066 0.000 2.288 102 K HA -0.085 4.235 4.320 -0.000 0.000 0.201 102 K C 1.932 178.514 176.600 -0.030 0.000 1.048 102 K CA 0.721 56.996 56.287 -0.020 0.000 0.956 102 K CB 0.041 32.563 32.500 0.037 0.000 0.746 102 K HN 0.266 nan 8.250 nan 0.000 0.461 103 K N 0.694 121.066 120.400 -0.046 0.000 2.365 103 K HA 0.098 4.417 4.320 -0.000 0.000 0.197 103 K C 0.564 177.107 176.600 -0.095 0.000 1.042 103 K CA 0.186 56.445 56.287 -0.046 0.000 0.987 103 K CB 0.147 32.638 32.500 -0.015 0.000 0.779 103 K HN 0.115 nan 8.250 nan 0.000 0.484 104 I N 1.808 122.311 120.570 -0.112 0.000 2.710 104 I HA -0.106 4.064 4.170 -0.000 0.000 0.286 104 I C 1.487 177.488 176.117 -0.194 0.000 1.181 104 I CA 0.346 61.567 61.300 -0.131 0.000 1.430 104 I CB 0.548 38.487 38.000 -0.102 0.000 1.367 104 I HN 0.102 nan 8.210 nan 0.000 0.577 105 R N 4.456 124.753 120.500 -0.339 0.000 2.197 105 R HA 0.293 4.633 4.340 -0.000 0.000 0.188 105 R C 0.225 176.166 176.300 -0.599 0.000 1.015 105 R CA 0.569 56.305 56.100 -0.607 0.000 1.132 105 R CB 0.094 29.722 30.300 -1.121 0.000 1.134 105 R HN 0.408 nan 8.270 nan 0.000 0.560 106 F N 1.057 121.022 119.950 0.025 0.000 2.450 106 F HA 0.391 4.918 4.527 -0.000 0.000 0.361 106 F C 0.890 176.698 175.800 0.013 0.000 1.092 106 F CA -1.048 56.969 58.000 0.028 0.000 1.105 106 F CB 0.315 39.351 39.000 0.060 0.000 1.458 106 F HN -0.235 nan 8.300 nan 0.000 0.496 107 Q N 0.196 120.143 119.800 0.245 0.000 2.260 107 Q HA 0.461 4.801 4.340 -0.000 0.000 0.242 107 Q C -0.118 175.935 176.000 0.090 0.000 0.932 107 Q CA -0.627 55.244 55.803 0.114 0.000 0.891 107 Q CB 1.538 30.323 28.738 0.079 0.000 1.222 107 Q HN 0.822 nan 8.270 nan 0.000 0.453 108 G N 1.984 110.810 108.800 0.042 0.000 2.483 108 G HA2 0.043 4.003 3.960 -0.000 0.000 0.248 108 G HA3 0.043 4.003 3.960 -0.000 0.000 0.248 108 G C -0.034 174.872 174.900 0.010 0.000 1.248 108 G CA -0.234 44.881 45.100 0.024 0.000 0.838 108 G HN 0.774 nan 8.290 nan 0.000 0.566 109 N N 1.566 120.269 118.700 0.005 0.000 2.536 109 N HA 0.115 4.855 4.740 -0.000 0.000 0.286 109 N C 0.974 176.473 175.510 -0.018 0.000 1.577 109 N CA -0.146 52.895 53.050 -0.016 0.000 0.883 109 N CB 0.518 38.994 38.487 -0.018 0.000 1.390 109 N HN 0.412 nan 8.380 nan 0.000 0.491 110 L N -0.247 120.967 121.223 -0.014 0.000 2.515 110 L HA 0.188 4.528 4.340 -0.000 0.000 0.223 110 L C 0.621 177.480 176.870 -0.019 0.000 1.079 110 L CA 0.054 54.886 54.840 -0.014 0.000 0.857 110 L CB -0.081 41.971 42.059 -0.010 0.000 1.050 110 L HN 0.119 nan 8.230 nan 0.000 0.476 111 N N 1.445 120.132 118.700 -0.022 0.000 2.716 111 N HA -0.164 4.576 4.740 -0.000 0.000 0.250 111 N C 0.124 175.624 175.510 -0.018 0.000 1.033 111 N CA 0.851 53.887 53.050 -0.023 0.000 0.727 111 N CB -0.996 37.474 38.487 -0.029 0.000 0.950 111 N HN 0.455 nan 8.380 nan 0.000 0.541 112 T N -2.039 112.506 114.554 -0.016 0.000 2.930 112 T HA 0.184 4.534 4.350 -0.000 0.000 0.306 112 T C 1.019 175.711 174.700 -0.013 0.000 1.045 112 T CA -0.010 62.083 62.100 -0.013 0.000 1.134 112 T CB 1.281 70.141 68.868 -0.013 0.000 0.961 112 T HN 0.344 nan 8.240 nan 0.000 0.545 113 K N 0.748 121.142 120.400 -0.011 0.000 2.373 113 K HA 0.213 4.533 4.320 -0.000 0.000 0.202 113 K C 0.928 177.523 176.600 -0.009 0.000 1.025 113 K CA -0.297 55.984 56.287 -0.011 0.000 1.115 113 K CB 0.418 32.912 32.500 -0.010 0.000 0.858 113 K HN 0.337 nan 8.250 nan 0.000 0.525 114 K N -0.126 120.269 120.400 -0.008 0.000 2.585 114 K HA 0.265 4.585 4.320 -0.000 0.000 0.210 114 K C -0.562 176.034 176.600 -0.007 0.000 1.294 114 K CA 0.023 56.306 56.287 -0.007 0.000 1.025 114 K CB 1.023 33.520 32.500 -0.005 0.000 1.076 114 K HN 0.073 nan 8.250 nan 0.000 0.613 115 M N 1.332 120.927 119.600 -0.009 0.000 2.457 115 M HA 0.342 4.822 4.480 -0.000 0.000 0.300 115 M C -1.396 174.895 176.300 -0.015 0.000 1.141 115 M CA -1.117 54.176 55.300 -0.011 0.000 0.901 115 M CB 1.856 34.450 32.600 -0.011 0.000 1.687 115 M HN -0.085 nan 8.290 nan 0.000 0.449 116 L N 3.990 125.203 121.223 -0.018 0.000 2.410 116 L HA 0.268 4.608 4.340 -0.000 0.000 0.273 116 L C -0.391 176.463 176.870 -0.028 0.000 1.152 116 L CA 0.634 55.460 54.840 -0.023 0.000 0.855 116 L CB 0.245 42.289 42.059 -0.026 0.000 1.129 116 L HN 0.783 nan 8.230 nan 0.000 0.463 117 N N 5.266 123.951 118.700 -0.026 0.000 2.886 117 N HA 0.360 5.100 4.740 -0.000 0.000 0.285 117 N C -1.891 173.602 175.510 -0.028 0.000 1.706 117 N CA -1.657 51.378 53.050 -0.026 0.000 0.904 117 N CB 0.485 38.961 38.487 -0.018 0.000 1.224 117 N HN 0.323 nan 8.380 nan 0.000 0.488 118 P HA -0.066 nan 4.420 nan 0.000 0.219 118 P C 0.471 177.752 177.300 -0.032 0.000 1.159 118 P CA 1.855 64.927 63.100 -0.046 0.000 0.944 118 P CB 0.105 31.759 31.700 -0.076 0.000 0.792 119 G N -2.897 105.886 108.800 -0.029 0.000 2.500 119 G HA2 0.465 4.425 3.960 -0.000 0.000 0.299 119 G HA3 0.465 4.425 3.960 -0.000 0.000 0.299 119 G C -1.771 173.139 174.900 0.018 0.000 1.242 119 G CA -0.499 44.600 45.100 -0.000 0.000 0.859 119 G HN 0.222 nan 8.290 nan 0.000 0.481 120 K N -0.143 120.295 120.400 0.063 0.000 2.426 120 K HA 0.695 5.015 4.320 -0.000 0.000 0.251 120 K C -0.600 176.061 176.600 0.101 0.000 0.941 120 K CA -0.760 55.592 56.287 0.109 0.000 0.808 120 K CB 1.824 34.443 32.500 0.197 0.000 1.265 120 K HN 0.421 nan 8.250 nan 0.000 0.432 121 L N 1.969 123.243 121.223 0.084 0.000 2.439 121 L HA 0.234 4.574 4.340 -0.000 0.000 0.259 121 L C 1.452 178.423 176.870 0.170 0.000 1.129 121 L CA -0.481 54.378 54.840 0.031 0.000 0.803 121 L CB 1.508 43.576 42.059 0.014 0.000 1.161 121 L HN 0.886 nan 8.230 nan 0.000 0.462 122 S N -1.636 114.105 115.700 0.068 0.000 2.603 122 S HA 0.078 4.547 4.470 -0.000 0.000 0.220 122 S C 0.432 175.160 174.600 0.213 0.000 0.967 122 S CA -0.114 58.285 58.200 0.331 0.000 0.920 122 S CB -0.122 63.130 63.200 0.086 0.000 0.773 122 S HN 0.630 nan 8.310 nan 0.000 0.529 123 E N 0.710 120.971 120.200 0.102 0.000 2.227 123 E HA 0.563 4.913 4.350 -0.000 0.000 0.268 123 E C -0.570 176.058 176.600 0.047 0.000 0.990 123 E CA -0.619 55.812 56.400 0.052 0.000 0.856 123 E CB 1.136 30.850 29.700 0.023 0.000 1.159 123 E HN 0.327 nan 8.360 nan 0.000 0.401 124 Q N 1.419 121.230 119.800 0.018 0.000 2.511 124 Q HA 0.346 4.686 4.340 -0.000 0.000 0.289 124 Q C -1.812 174.187 176.000 -0.002 0.000 1.021 124 Q CA -0.893 54.913 55.803 0.006 0.000 0.785 124 Q CB 1.267 29.995 28.738 -0.017 0.000 1.472 124 Q HN 0.290 nan 8.270 nan 0.000 0.411 125 L N 3.178 124.399 121.223 -0.003 0.000 2.261 125 L HA 0.219 4.559 4.340 -0.000 0.000 0.289 125 L C 0.094 176.957 176.870 -0.012 0.000 1.059 125 L CA 0.337 55.175 54.840 -0.004 0.000 0.816 125 L CB 0.771 42.830 42.059 -0.000 0.000 1.191 125 L HN 0.630 nan 8.230 nan 0.000 0.431 126 D N 2.903 123.294 120.400 -0.014 0.000 2.438 126 D HA -0.181 4.458 4.640 -0.000 0.000 0.230 126 D C 0.958 177.247 176.300 -0.018 0.000 1.248 126 D CA 0.089 54.078 54.000 -0.019 0.000 0.883 126 D CB 0.864 41.653 40.800 -0.018 0.000 1.233 126 D HN 0.502 nan 8.370 nan 0.000 0.500 127 R N 1.647 122.134 120.500 -0.021 0.000 2.323 127 R HA -0.092 4.248 4.340 -0.000 0.000 0.198 127 R C 0.380 176.669 176.300 -0.018 0.000 0.988 127 R CA 0.689 56.777 56.100 -0.020 0.000 1.041 127 R CB -0.013 30.272 30.300 -0.024 0.000 0.926 127 R HN 0.412 nan 8.270 nan 0.000 0.476 128 E N -1.366 118.824 120.200 -0.017 0.000 2.921 128 E HA 0.220 4.569 4.350 -0.000 0.000 0.203 128 E C 0.190 176.783 176.600 -0.012 0.000 0.975 128 E CA 0.492 56.883 56.400 -0.015 0.000 1.225 128 E CB 0.659 30.349 29.700 -0.017 0.000 1.048 128 E HN 0.368 nan 8.360 nan 0.000 0.477 129 G N 0.322 109.116 108.800 -0.010 0.000 2.953 129 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.201 129 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.201 129 G C 0.255 175.151 174.900 -0.007 0.000 1.501 129 G CA -0.293 44.803 45.100 -0.007 0.000 1.094 129 G HN 0.143 nan 8.290 nan 0.000 0.555 130 R N 1.314 121.808 120.500 -0.009 0.000 2.777 130 R HA 0.090 4.429 4.340 -0.000 0.000 0.268 130 R C 0.302 176.598 176.300 -0.007 0.000 0.979 130 R CA 0.904 56.999 56.100 -0.008 0.000 1.117 130 R CB 0.054 30.347 30.300 -0.012 0.000 0.985 130 R HN 0.521 nan 8.270 nan 0.000 0.442 131 K N 2.915 123.312 120.400 -0.004 0.000 2.478 131 K HA 0.160 4.480 4.320 -0.000 0.000 0.236 131 K C -0.472 176.125 176.600 -0.005 0.000 1.021 131 K CA -0.435 55.851 56.287 -0.002 0.000 1.010 131 K CB 0.479 32.982 32.500 0.005 0.000 1.331 131 K HN 0.446 nan 8.250 nan 0.000 0.470 132 R N 1.410 121.904 120.500 -0.011 0.000 2.549 132 R HA 0.341 4.681 4.340 -0.000 0.000 0.259 132 R C -0.487 175.806 176.300 -0.012 0.000 1.095 132 R CA -0.793 55.298 56.100 -0.014 0.000 1.148 132 R CB 0.145 30.430 30.300 -0.025 0.000 1.181 132 R HN 0.287 nan 8.270 nan 0.000 0.571 133 N N -0.575 118.119 118.700 -0.010 0.000 2.509 133 N HA 0.224 4.964 4.740 -0.000 0.000 0.287 133 N C 0.485 175.979 175.510 -0.027 0.000 1.121 133 N CA -0.384 52.668 53.050 0.003 0.000 0.977 133 N CB 1.129 39.627 38.487 0.019 0.000 1.167 133 N HN 0.509 nan 8.380 nan 0.000 0.476 134 I N 0.251 120.791 120.570 -0.050 0.000 2.193 134 I HA -0.132 4.038 4.170 -0.000 0.000 0.240 134 I C 0.236 176.124 176.117 -0.382 0.000 1.084 134 I CA 1.204 62.332 61.300 -0.287 0.000 1.365 134 I CB -0.074 37.636 38.000 -0.483 0.000 1.064 134 I HN 0.487 nan 8.210 nan 0.000 0.410 135 Y N -0.238 120.093 120.300 0.052 0.000 2.771 135 Y HA 0.325 4.875 4.550 -0.000 0.000 0.359 135 Y C 0.439 176.387 175.900 0.080 0.000 1.247 135 Y CA -1.039 57.093 58.100 0.054 0.000 1.324 135 Y CB 0.153 38.647 38.460 0.058 0.000 1.539 135 Y HN -0.132 nan 8.280 nan 0.000 0.698 136 N N 0.418 119.298 118.700 0.299 0.000 2.469 136 N HA 0.117 4.857 4.740 -0.000 0.000 0.253 136 N C 0.362 176.023 175.510 0.252 0.000 0.970 136 N CA -0.057 53.131 53.050 0.230 0.000 0.940 136 N CB 0.626 39.226 38.487 0.188 0.000 1.128 136 N HN 0.767 nan 8.380 nan 0.000 0.503 137 H N 2.545 121.694 119.070 0.132 0.000 2.522 137 H HA -0.287 4.269 4.556 -0.000 0.000 0.289 137 H C 1.138 176.507 175.328 0.068 0.000 1.070 137 H CA 2.012 58.122 56.048 0.102 0.000 1.128 137 H CB 0.584 30.395 29.762 0.081 0.000 1.440 137 H HN 0.487 nan 8.280 nan 0.000 0.651 138 Q N 0.443 120.300 119.800 0.094 0.000 2.012 138 Q HA -0.221 4.119 4.340 -0.000 0.000 0.211 138 Q C 2.679 178.688 176.000 0.016 0.000 1.009 138 Q CA 2.034 57.820 55.803 -0.028 0.000 0.866 138 Q CB -0.908 27.813 28.738 -0.029 0.000 0.945 138 Q HN 0.637 nan 8.270 nan 0.000 0.414 139 I N 0.516 121.105 120.570 0.032 0.000 2.118 139 I HA -0.280 3.890 4.170 -0.000 0.000 0.241 139 I C 2.415 178.537 176.117 0.008 0.000 1.070 139 I CA 1.596 62.895 61.300 -0.002 0.000 1.327 139 I CB -0.838 37.147 38.000 -0.025 0.000 1.034 139 I HN 0.333 nan 8.210 nan 0.000 0.405 140 G N -0.034 108.800 108.800 0.057 0.000 2.446 140 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 140 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 140 G C 1.608 176.543 174.900 0.058 0.000 1.168 140 G CA 1.473 46.595 45.100 0.035 0.000 0.771 140 G HN 0.339 nan 8.290 nan 0.000 0.551 141 T N 1.603 116.225 114.554 0.114 0.000 2.652 141 T HA -0.121 4.229 4.350 -0.000 0.000 0.267 141 T C 2.363 177.081 174.700 0.029 0.000 1.039 141 T CA 1.245 63.399 62.100 0.090 0.000 1.153 141 T CB -0.239 68.672 68.868 0.072 0.000 0.863 141 T HN 0.259 nan 8.240 nan 0.000 0.428 142 I N 1.085 121.658 120.570 0.005 0.000 2.091 142 I HA -0.255 3.915 4.170 -0.000 0.000 0.239 142 I C 2.620 178.736 176.117 -0.001 0.000 1.061 142 I CA 1.686 62.979 61.300 -0.011 0.000 1.317 142 I CB -0.479 37.507 38.000 -0.024 0.000 1.031 142 I HN 0.255 nan 8.210 nan 0.000 0.401 143 M N -0.105 119.492 119.600 -0.004 0.000 2.267 143 M HA -0.187 4.293 4.480 -0.000 0.000 0.263 143 M C 2.330 178.641 176.300 0.018 0.000 1.063 143 M CA 1.486 56.786 55.300 -0.001 0.000 1.090 143 M CB -0.508 32.072 32.600 -0.032 0.000 1.392 143 M HN 0.192 nan 8.290 nan 0.000 0.422 144 S N 0.125 115.839 115.700 0.023 0.000 2.362 144 S HA -0.065 4.405 4.470 -0.000 0.000 0.221 144 S C 2.025 176.643 174.600 0.029 0.000 1.032 144 S CA 1.278 59.501 58.200 0.039 0.000 0.973 144 S CB -0.183 63.048 63.200 0.051 0.000 0.849 144 S HN 0.449 nan 8.310 nan 0.000 0.465 145 S N 2.325 118.035 115.700 0.017 0.000 2.393 145 S HA -0.135 4.335 4.470 -0.000 0.000 0.234 145 S C 1.154 175.760 174.600 0.011 0.000 1.064 145 S CA 1.237 59.441 58.200 0.006 0.000 1.088 145 S CB -0.588 62.608 63.200 -0.007 0.000 0.939 145 S HN 0.677 nan 8.310 nan 0.000 0.448 146 A N 0.736 123.568 122.820 0.020 0.000 2.259 146 A HA 0.606 4.926 4.320 -0.000 0.000 0.278 146 A C 1.374 178.987 177.584 0.047 0.000 1.107 146 A CA -0.053 52.002 52.037 0.029 0.000 0.828 146 A CB -0.157 18.866 19.000 0.038 0.000 1.111 146 A HN 0.382 nan 8.150 nan 0.000 0.498 147 G N -0.256 108.576 108.800 0.052 0.000 3.229 147 G HA2 0.284 4.244 3.960 -0.000 0.000 0.214 147 G HA3 0.284 4.244 3.960 -0.000 0.000 0.214 147 G C 0.152 175.120 174.900 0.113 0.000 1.256 147 G CA 0.032 45.172 45.100 0.065 0.000 1.042 147 G HN 0.515 nan 8.290 nan 0.000 0.497 148 I N 0.443 121.078 120.570 0.109 0.000 2.325 148 I HA 0.250 4.420 4.170 -0.000 0.000 0.291 148 I C 0.162 176.322 176.117 0.073 0.000 1.019 148 I CA -0.588 60.778 61.300 0.109 0.000 1.302 148 I CB 1.136 39.181 38.000 0.075 0.000 1.401 148 I HN 0.023 nan 8.210 nan 0.000 0.485 149 R N 6.684 127.228 120.500 0.074 0.000 2.369 149 R HA 0.324 4.664 4.340 -0.000 0.000 0.310 149 R C 0.846 177.143 176.300 -0.004 0.000 1.141 149 R CA -0.497 55.648 56.100 0.074 0.000 1.116 149 R CB 0.595 30.950 30.300 0.092 0.000 1.135 149 R HN 0.695 nan 8.270 nan 0.000 0.529 150 L N 1.832 122.988 121.223 -0.112 0.000 2.211 150 L HA -0.319 4.021 4.340 -0.000 0.000 0.216 150 L C 1.679 178.389 176.870 -0.266 0.000 1.092 150 L CA 1.700 56.306 54.840 -0.390 0.000 0.767 150 L CB -0.549 40.926 42.059 -0.972 0.000 0.894 150 L HN 0.644 nan 8.230 nan 0.000 0.437 151 E N 0.213 120.294 120.200 -0.198 0.000 2.204 151 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 151 E C 1.383 178.036 176.600 0.089 0.000 0.990 151 E CA 0.757 57.113 56.400 -0.074 0.000 0.821 151 E CB -0.132 29.575 29.700 0.012 0.000 0.750 151 E HN 0.432 nan 8.360 nan 0.000 0.477 152 K N 0.795 121.261 120.400 0.111 0.000 2.374 152 K HA 0.183 4.502 4.320 -0.000 0.000 0.196 152 K C 0.299 177.084 176.600 0.308 0.000 1.023 152 K CA 0.031 56.462 56.287 0.240 0.000 1.103 152 K CB 0.267 32.856 32.500 0.149 0.000 0.848 152 K HN 0.200 nan 8.250 nan 0.000 0.528 153 L N 4.054 125.371 121.223 0.156 0.000 2.456 153 L HA 0.104 4.444 4.340 -0.000 0.000 0.277 153 L C -1.991 174.788 176.870 -0.151 0.000 1.124 153 L CA -1.769 53.081 54.840 0.016 0.000 0.880 153 L CB -0.052 42.003 42.059 -0.007 0.000 1.192 153 L HN -0.246 nan 8.230 nan 0.000 0.463 154 P HA 0.065 nan 4.420 nan 0.000 0.245 154 P C -0.488 176.387 177.300 -0.710 0.000 1.347 154 P CA 0.747 63.174 63.100 -1.121 0.000 1.314 154 P CB -0.163 31.103 31.700 -0.724 0.000 1.679 155 I N 2.611 122.849 120.570 -0.553 0.000 2.685 155 I HA 0.379 4.549 4.170 -0.000 0.000 0.289 155 I C -1.018 175.041 176.117 -0.096 0.000 1.292 155 I CA -1.057 60.096 61.300 -0.244 0.000 1.050 155 I CB 1.893 39.823 38.000 -0.117 0.000 1.301 155 I HN -0.007 nan 8.210 nan 0.000 0.425 156 V N 3.859 123.736 119.914 -0.062 0.000 3.158 156 V HA 0.689 4.808 4.120 -0.000 0.000 0.311 156 V C -0.578 175.514 176.094 -0.002 0.000 1.181 156 V CA -0.896 61.415 62.300 0.018 0.000 1.054 156 V CB 2.053 33.920 31.823 0.073 0.000 1.085 156 V HN 0.813 nan 8.190 nan 0.000 0.446 157 R N 0.846 121.351 120.500 0.008 0.000 2.546 157 R HA 0.818 5.158 4.340 -0.000 0.000 0.266 157 R C -0.120 176.185 176.300 0.007 0.000 1.086 157 R CA 0.005 56.103 56.100 -0.003 0.000 1.160 157 R CB 1.248 31.543 30.300 -0.008 0.000 1.138 157 R HN 1.108 nan 8.270 nan 0.000 0.567 158 A N 1.197 124.019 122.820 0.004 0.000 2.292 158 A HA 0.207 4.527 4.320 -0.000 0.000 0.319 158 A C -0.493 177.100 177.584 0.014 0.000 1.206 158 A CA -0.700 51.344 52.037 0.013 0.000 0.835 158 A CB 0.687 19.695 19.000 0.012 0.000 1.164 158 A HN 0.654 nan 8.150 nan 0.000 0.505 159 Q N 1.335 121.152 119.800 0.028 0.000 2.239 159 Q HA 0.077 4.417 4.340 -0.000 0.000 0.286 159 Q C 0.293 176.308 176.000 0.025 0.000 1.102 159 Q CA 0.346 56.167 55.803 0.029 0.000 0.936 159 Q CB 0.396 29.160 28.738 0.043 0.000 1.127 159 Q HN 0.738 nan 8.270 nan 0.000 0.380 160 T N 1.186 115.739 114.554 -0.002 0.000 3.069 160 T HA -0.026 4.324 4.350 -0.000 0.000 0.252 160 T C -0.265 174.413 174.700 -0.037 0.000 1.053 160 T CA -0.132 61.943 62.100 -0.042 0.000 0.964 160 T CB 0.118 68.947 68.868 -0.065 0.000 1.005 160 T HN 0.712 nan 8.240 nan 0.000 0.532 161 D N 0.546 120.949 120.400 0.005 0.000 2.443 161 D HA 0.041 4.681 4.640 -0.000 0.000 0.239 161 D C 1.203 177.534 176.300 0.052 0.000 1.136 161 D CA 0.154 54.162 54.000 0.012 0.000 0.879 161 D CB 0.591 41.398 40.800 0.011 0.000 1.195 161 D HN -0.117 nan 8.370 nan 0.000 0.443 162 T N 1.217 115.784 114.554 0.021 0.000 2.653 162 T HA -0.302 4.048 4.350 -0.000 0.000 0.268 162 T C 1.503 176.146 174.700 -0.096 0.000 1.035 162 T CA 2.145 64.230 62.100 -0.025 0.000 1.154 162 T CB -0.358 68.410 68.868 -0.166 0.000 0.862 162 T HN 0.609 nan 8.240 nan 0.000 0.441 163 K N 1.412 121.774 120.400 -0.062 0.000 2.030 163 K HA -0.217 4.103 4.320 -0.000 0.000 0.222 163 K C 2.270 178.884 176.600 0.023 0.000 1.056 163 K CA 2.771 59.040 56.287 -0.030 0.000 0.957 163 K CB -1.165 31.333 32.500 -0.003 0.000 0.727 163 K HN 0.528 nan 8.250 nan 0.000 0.452 164 T N -2.331 112.261 114.554 0.064 0.000 3.100 164 T HA 0.014 4.364 4.350 -0.000 0.000 0.253 164 T C 1.683 176.481 174.700 0.164 0.000 1.118 164 T CA 0.356 62.510 62.100 0.090 0.000 1.058 164 T CB -0.402 68.513 68.868 0.077 0.000 0.953 164 T HN 0.239 nan 8.240 nan 0.000 0.515 165 F N 2.178 122.145 119.950 0.028 0.000 2.163 165 F HA 0.105 4.631 4.527 -0.000 0.000 0.297 165 F C 2.156 178.055 175.800 0.164 0.000 1.094 165 F CA 0.915 58.963 58.000 0.079 0.000 1.290 165 F CB -0.746 38.298 39.000 0.075 0.000 1.017 165 F HN 0.340 nan 8.300 nan 0.000 0.483 166 H N -0.333 118.632 119.070 -0.174 0.000 2.423 166 H HA -0.096 4.460 4.556 -0.000 0.000 0.297 166 H C 2.032 177.240 175.328 -0.200 0.000 1.075 166 H CA 0.992 56.860 56.048 -0.300 0.000 1.342 166 H CB 0.081 29.756 29.762 -0.145 0.000 1.395 166 H HN 0.407 nan 8.280 nan 0.000 0.530 167 E N 1.015 121.240 120.200 0.042 0.000 2.049 167 E HA -0.223 4.127 4.350 -0.000 0.000 0.198 167 E C 2.563 179.146 176.600 -0.028 0.000 1.007 167 E CA 0.813 57.217 56.400 0.008 0.000 0.809 167 E CB -0.141 29.578 29.700 0.031 0.000 0.749 167 E HN 0.423 nan 8.360 nan 0.000 0.450 168 A N 1.649 124.465 122.820 -0.006 0.000 1.869 168 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 168 A C 2.276 179.807 177.584 -0.088 0.000 1.203 168 A CA 1.855 53.887 52.037 -0.008 0.000 0.638 168 A CB -1.017 18.029 19.000 0.075 0.000 0.831 168 A HN 0.199 nan 8.150 nan 0.000 0.450 169 I N -1.007 119.442 120.570 -0.201 0.000 2.185 169 I HA -0.346 3.824 4.170 -0.000 0.000 0.246 169 I C 2.842 178.801 176.117 -0.264 0.000 1.088 169 I CA 1.862 62.985 61.300 -0.296 0.000 1.347 169 I CB -0.343 37.350 38.000 -0.510 0.000 1.041 169 I HN 0.322 nan 8.210 nan 0.000 0.415 170 R N 0.294 120.667 120.500 -0.211 0.000 2.073 170 R HA -0.128 4.212 4.340 -0.000 0.000 0.229 170 R C 1.758 177.992 176.300 -0.109 0.000 1.120 170 R CA 1.413 57.413 56.100 -0.165 0.000 0.967 170 R CB -0.271 29.954 30.300 -0.124 0.000 0.862 170 R HN 0.322 nan 8.270 nan 0.000 0.436 171 D N 0.032 120.386 120.400 -0.076 0.000 2.264 171 D HA -0.082 4.558 4.640 -0.000 0.000 0.208 171 D C 1.214 177.490 176.300 -0.041 0.000 0.966 171 D CA 1.274 55.248 54.000 -0.045 0.000 0.864 171 D CB 0.253 41.040 40.800 -0.021 0.000 0.933 171 D HN 0.238 nan 8.370 nan 0.000 0.499 172 K N -1.159 119.208 120.400 -0.054 0.000 2.556 172 K HA 0.289 4.609 4.320 -0.000 0.000 0.201 172 K C 1.750 178.315 176.600 -0.058 0.000 1.423 172 K CA -0.025 56.238 56.287 -0.040 0.000 1.010 172 K CB 1.015 33.509 32.500 -0.011 0.000 1.409 172 K HN -0.015 nan 8.250 nan 0.000 0.538 173 I N 1.390 121.903 120.570 -0.095 0.000 3.035 173 I HA -0.042 4.128 4.170 -0.000 0.000 0.271 173 I C 0.518 176.549 176.117 -0.143 0.000 1.190 173 I CA 0.438 61.672 61.300 -0.111 0.000 1.472 173 I CB 0.168 38.086 38.000 -0.137 0.000 1.116 173 I HN 0.052 nan 8.210 nan 0.000 0.443 174 D N 3.827 124.120 120.400 -0.178 0.000 2.541 174 D HA 0.058 4.698 4.640 -0.000 0.000 0.231 174 D C -0.123 176.117 176.300 -0.101 0.000 1.163 174 D CA 0.275 54.177 54.000 -0.164 0.000 1.077 174 D CB -0.285 40.409 40.800 -0.176 0.000 1.110 174 D HN 0.394 nan 8.370 nan 0.000 0.499 175 K N -0.717 119.635 120.400 -0.081 0.000 2.509 175 K HA 0.611 4.931 4.320 -0.000 0.000 0.266 175 K C -0.642 175.928 176.600 -0.051 0.000 0.987 175 K CA -1.042 55.208 56.287 -0.061 0.000 0.868 175 K CB 0.925 33.390 32.500 -0.059 0.000 1.421 175 K HN 0.049 nan 8.250 nan 0.000 0.444 176 S N 0.063 115.736 115.700 -0.046 0.000 2.632 176 S HA 0.193 4.663 4.470 -0.000 0.000 0.271 176 S C -0.250 174.322 174.600 -0.048 0.000 1.260 176 S CA -0.972 57.204 58.200 -0.040 0.000 1.010 176 S CB 0.706 63.886 63.200 -0.034 0.000 0.965 176 S HN 0.591 nan 8.310 nan 0.000 0.534 177 E N 1.757 121.930 120.200 -0.045 0.000 2.414 177 E HA 0.051 4.401 4.350 -0.000 0.000 0.263 177 E C 0.023 176.585 176.600 -0.062 0.000 1.000 177 E CA -0.126 56.240 56.400 -0.056 0.000 0.914 177 E CB 0.297 29.968 29.700 -0.049 0.000 0.948 177 E HN 0.520 nan 8.360 nan 0.000 0.444 178 N N 2.642 121.292 118.700 -0.083 0.000 2.416 178 N HA -0.013 4.727 4.740 -0.000 0.000 0.246 178 N C 0.130 175.596 175.510 -0.075 0.000 1.260 178 N CA 0.308 53.300 53.050 -0.097 0.000 0.897 178 N CB 0.590 38.992 38.487 -0.141 0.000 1.110 178 N HN 0.329 nan 8.380 nan 0.000 0.439 179 R N 1.131 121.588 120.500 -0.072 0.000 2.390 179 R HA 0.101 4.440 4.340 -0.000 0.000 0.291 179 R C -0.556 175.716 176.300 -0.047 0.000 1.070 179 R CA -0.026 56.049 56.100 -0.042 0.000 1.014 179 R CB 0.511 30.797 30.300 -0.023 0.000 1.007 179 R HN 0.513 nan 8.270 nan 0.000 0.466 180 Q N 2.899 122.687 119.800 -0.020 0.000 2.304 180 Q HA 0.193 4.533 4.340 -0.000 0.000 0.270 180 Q C -0.884 175.113 176.000 -0.004 0.000 1.035 180 Q CA -1.153 54.635 55.803 -0.025 0.000 0.781 180 Q CB 2.034 30.761 28.738 -0.018 0.000 1.261 180 Q HN 0.710 nan 8.270 nan 0.000 0.444 181 N N 2.575 121.273 118.700 -0.004 0.000 2.292 181 N HA -0.081 4.659 4.740 -0.000 0.000 0.258 181 N C -2.158 173.358 175.510 0.011 0.000 1.261 181 N CA -0.497 52.565 53.050 0.019 0.000 0.845 181 N CB 0.404 38.920 38.487 0.048 0.000 1.064 181 N HN 0.272 nan 8.380 nan 0.000 0.471 182 P HA -0.264 nan 4.420 nan 0.000 0.216 182 P C 1.103 178.428 177.300 0.042 0.000 1.167 182 P CA 2.123 65.249 63.100 0.043 0.000 0.914 182 P CB 0.076 31.800 31.700 0.040 0.000 0.793 183 E N -0.143 120.081 120.200 0.040 0.000 2.114 183 E HA -0.214 4.136 4.350 -0.000 0.000 0.199 183 E C 2.110 178.708 176.600 -0.004 0.000 1.008 183 E CA 0.827 57.257 56.400 0.050 0.000 0.810 183 E CB -1.236 28.516 29.700 0.086 0.000 0.739 183 E HN 0.150 nan 8.360 nan 0.000 0.456 184 L N 1.174 122.339 121.223 -0.098 0.000 2.054 184 L HA -0.326 4.014 4.340 -0.000 0.000 0.240 184 L C 2.679 179.313 176.870 -0.394 0.000 1.107 184 L CA 2.279 56.907 54.840 -0.354 0.000 0.833 184 L CB -0.789 40.991 42.059 -0.466 0.000 0.929 184 L HN 0.419 nan 8.230 nan 0.000 0.447 185 H N -0.383 118.606 119.070 -0.136 0.000 2.518 185 H HA -0.121 4.435 4.556 -0.000 0.000 0.292 185 H C 2.008 177.297 175.328 -0.065 0.000 1.068 185 H CA 1.255 57.237 56.048 -0.109 0.000 1.275 185 H CB -0.187 29.526 29.762 -0.081 0.000 1.375 185 H HN 0.513 nan 8.280 nan 0.000 0.563 186 N N 1.127 119.851 118.700 0.040 0.000 2.132 186 N HA -0.083 4.657 4.740 -0.000 0.000 0.187 186 N C 1.858 177.401 175.510 0.054 0.000 1.038 186 N CA 0.640 53.730 53.050 0.066 0.000 0.846 186 N CB -0.085 38.449 38.487 0.079 0.000 1.012 186 N HN 0.357 nan 8.380 nan 0.000 0.429 187 K N 0.995 121.421 120.400 0.043 0.000 2.160 187 K HA -0.075 4.245 4.320 -0.000 0.000 0.206 187 K C 2.104 178.635 176.600 -0.116 0.000 1.047 187 K CA 0.761 57.095 56.287 0.080 0.000 0.930 187 K CB -0.172 32.475 32.500 0.244 0.000 0.720 187 K HN 0.157 nan 8.250 nan 0.000 0.450 188 L N 0.789 121.897 121.223 -0.190 0.000 2.044 188 L HA -0.131 4.209 4.340 -0.000 0.000 0.205 188 L C 2.435 179.262 176.870 -0.072 0.000 1.075 188 L CA 0.712 55.430 54.840 -0.203 0.000 0.747 188 L CB -0.368 41.546 42.059 -0.241 0.000 0.903 188 L HN 0.220 nan 8.230 nan 0.000 0.435 189 L N 0.074 121.292 121.223 -0.008 0.000 2.012 189 L HA -0.285 4.055 4.340 -0.000 0.000 0.210 189 L C 2.557 179.509 176.870 0.135 0.000 1.073 189 L CA 1.763 56.638 54.840 0.057 0.000 0.748 189 L CB -0.240 41.874 42.059 0.092 0.000 0.891 189 L HN 0.411 nan 8.230 nan 0.000 0.431 190 E N 0.173 120.464 120.200 0.151 0.000 2.033 190 E HA -0.288 4.062 4.350 -0.000 0.000 0.199 190 E C 2.215 178.889 176.600 0.123 0.000 1.011 190 E CA 2.044 58.568 56.400 0.206 0.000 0.815 190 E CB -0.161 29.667 29.700 0.214 0.000 0.755 190 E HN 0.544 nan 8.360 nan 0.000 0.451 191 I N 0.512 121.046 120.570 -0.061 0.000 2.208 191 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 191 I C 2.372 178.446 176.117 -0.072 0.000 1.097 191 I CA 0.990 62.200 61.300 -0.150 0.000 1.363 191 I CB -0.410 37.360 38.000 -0.383 0.000 1.051 191 I HN 0.227 nan 8.210 nan 0.000 0.413 192 F N 1.758 121.605 119.950 -0.171 0.000 2.120 192 F HA -0.301 4.226 4.527 -0.000 0.000 0.300 192 F C 2.639 178.304 175.800 -0.225 0.000 1.095 192 F CA 1.866 59.741 58.000 -0.208 0.000 1.249 192 F CB -0.768 38.056 39.000 -0.292 0.000 0.995 192 F HN 0.125 nan 8.300 nan 0.000 0.480 193 H N -0.187 118.596 119.070 -0.478 0.000 2.352 193 H HA -0.159 4.397 4.556 -0.000 0.000 0.299 193 H C 2.486 177.561 175.328 -0.421 0.000 1.097 193 H CA 2.170 57.868 56.048 -0.583 0.000 1.311 193 H CB -1.053 28.574 29.762 -0.224 0.000 1.377 193 H HN 0.430 nan 8.280 nan 0.000 0.504 194 T N -0.317 114.172 114.554 -0.108 0.000 3.051 194 T HA -0.046 4.304 4.350 -0.000 0.000 0.269 194 T C 1.692 176.329 174.700 -0.105 0.000 1.127 194 T CA 1.066 63.132 62.100 -0.056 0.000 1.107 194 T CB -0.615 68.282 68.868 0.048 0.000 0.898 194 T HN 0.546 nan 8.240 nan 0.000 0.517 195 I N -2.161 118.277 120.570 -0.219 0.000 4.147 195 I HA 0.678 4.847 4.170 -0.000 0.000 0.329 195 I C 0.710 176.691 176.117 -0.226 0.000 1.424 195 I CA -1.092 60.116 61.300 -0.154 0.000 1.127 195 I CB 0.002 37.956 38.000 -0.077 0.000 1.128 195 I HN 0.118 nan 8.210 nan 0.000 0.417 196 A N 1.545 124.049 122.820 -0.526 0.000 2.407 196 A HA 0.425 4.745 4.320 -0.000 0.000 0.248 196 A C -0.060 177.436 177.584 -0.146 0.000 1.082 196 A CA -0.001 51.688 52.037 -0.579 0.000 0.785 196 A CB 0.246 18.472 19.000 -1.290 0.000 1.020 196 A HN 0.569 nan 8.150 nan 0.000 0.489 197 Q N 1.861 121.698 119.800 0.062 0.000 2.431 197 Q HA 0.244 4.584 4.340 -0.000 0.000 0.249 197 Q C -1.998 174.039 176.000 0.061 0.000 1.025 197 Q CA -1.701 54.159 55.803 0.095 0.000 0.835 197 Q CB 1.313 30.164 28.738 0.189 0.000 1.207 197 Q HN 0.505 nan 8.270 nan 0.000 0.490 198 P HA -0.141 nan 4.420 nan 0.000 0.225 198 P C 0.793 178.041 177.300 -0.088 0.000 1.148 198 P CA 1.072 64.163 63.100 -0.016 0.000 0.779 198 P CB 0.357 32.062 31.700 0.007 0.000 0.780 199 T N 0.043 114.570 114.554 -0.045 0.000 2.622 199 T HA -0.123 4.227 4.350 -0.000 0.000 0.266 199 T C 1.628 176.273 174.700 -0.091 0.000 1.047 199 T CA 1.129 63.200 62.100 -0.048 0.000 1.159 199 T CB -1.070 67.790 68.868 -0.012 0.000 0.863 199 T HN 0.115 nan 8.240 nan 0.000 0.422 200 L N 0.676 121.846 121.223 -0.088 0.000 2.610 200 L HA 0.148 4.488 4.340 -0.000 0.000 0.232 200 L C 1.230 177.908 176.870 -0.320 0.000 1.149 200 L CA 0.034 54.775 54.840 -0.166 0.000 0.872 200 L CB -0.460 41.559 42.059 -0.067 0.000 0.992 200 L HN 0.214 nan 8.230 nan 0.000 0.447 201 K N 0.146 120.297 120.400 -0.415 0.000 2.559 201 K HA -0.150 4.170 4.320 -0.000 0.000 0.279 201 K C 0.523 176.840 176.600 -0.471 0.000 0.967 201 K CA 0.005 55.832 56.287 -0.767 0.000 1.000 201 K CB 0.221 32.204 32.500 -0.861 0.000 0.890 201 K HN 0.167 nan 8.250 nan 0.000 0.501 202 H N 0.416 119.264 119.070 -0.371 0.000 2.767 202 H HA -0.197 4.359 4.556 -0.000 0.000 0.309 202 H C 1.136 176.389 175.328 -0.125 0.000 1.061 202 H CA 1.532 57.485 56.048 -0.159 0.000 1.166 202 H CB -1.760 27.935 29.762 -0.111 0.000 1.363 202 H HN 0.778 nan 8.280 nan 0.000 0.376 203 T N -2.743 111.734 114.554 -0.127 0.000 3.044 203 T HA 0.015 4.365 4.350 -0.000 0.000 0.250 203 T C 0.603 175.272 174.700 -0.051 0.000 1.081 203 T CA -0.260 61.781 62.100 -0.097 0.000 1.040 203 T CB 0.039 68.819 68.868 -0.146 0.000 0.962 203 T HN 0.127 nan 8.240 nan 0.000 0.506 204 Y N 1.743 121.925 120.300 -0.196 0.000 2.442 204 Y HA 0.612 5.162 4.550 -0.000 0.000 0.330 204 Y C 1.098 176.804 175.900 -0.323 0.000 1.129 204 Y CA -0.694 57.107 58.100 -0.500 0.000 1.365 204 Y CB 0.614 38.291 38.460 -1.305 0.000 1.233 204 Y HN 0.356 nan 8.280 nan 0.000 0.529 205 G N 1.924 110.788 108.800 0.106 0.000 2.727 205 G HA2 0.355 4.315 3.960 -0.000 0.000 0.289 205 G HA3 0.355 4.315 3.960 -0.000 0.000 0.289 205 G C -1.011 173.993 174.900 0.174 0.000 1.418 205 G CA -0.985 44.332 45.100 0.361 0.000 0.818 205 G HN 0.509 nan 8.290 nan 0.000 0.486 206 E N -1.483 118.835 120.200 0.198 0.000 2.504 206 E HA 0.274 4.624 4.350 -0.000 0.000 0.266 206 E C -0.186 176.396 176.600 -0.030 0.000 1.239 206 E CA 0.141 56.501 56.400 -0.067 0.000 1.064 206 E CB 0.506 30.301 29.700 0.157 0.000 0.996 206 E HN 0.246 nan 8.360 nan 0.000 0.479 207 V N -0.377 119.461 119.914 -0.126 0.000 3.084 207 V HA 0.333 4.453 4.120 -0.000 0.000 0.311 207 V C -0.333 175.646 176.094 -0.191 0.000 1.311 207 V CA -0.416 61.787 62.300 -0.160 0.000 1.062 207 V CB 1.762 33.424 31.823 -0.269 0.000 1.113 207 V HN 0.931 nan 8.190 nan 0.000 0.468 208 T N -2.994 111.448 114.554 -0.187 0.000 2.875 208 T HA 0.305 4.655 4.350 -0.000 0.000 0.284 208 T C 0.326 174.969 174.700 -0.096 0.000 0.995 208 T CA -0.277 61.752 62.100 -0.119 0.000 1.060 208 T CB 0.869 69.713 68.868 -0.039 0.000 0.967 208 T HN 0.587 nan 8.240 nan 0.000 0.476 209 W N 1.111 122.398 121.300 -0.022 0.000 2.341 209 W HA -0.052 4.608 4.660 -0.000 0.000 0.283 209 W C 1.960 178.471 176.519 -0.015 0.000 1.215 209 W CA 0.739 58.078 57.345 -0.011 0.000 1.211 209 W CB -0.136 29.318 29.460 -0.011 0.000 1.131 209 W HN 0.810 nan 8.180 nan 0.000 0.552 210 E N -0.684 119.631 120.200 0.191 0.000 2.107 210 E HA -0.235 4.115 4.350 -0.000 0.000 0.191 210 E C 1.895 178.519 176.600 0.040 0.000 0.982 210 E CA 1.289 57.751 56.400 0.104 0.000 0.809 210 E CB -0.519 29.223 29.700 0.070 0.000 0.756 210 E HN 0.352 nan 8.360 nan 0.000 0.459 211 Q N -0.284 119.491 119.800 -0.042 0.000 2.384 211 Q HA 0.081 4.421 4.340 -0.000 0.000 0.207 211 Q C 1.625 177.532 176.000 -0.155 0.000 0.904 211 Q CA -0.021 55.702 55.803 -0.133 0.000 0.933 211 Q CB 0.259 28.833 28.738 -0.274 0.000 1.077 211 Q HN 0.240 nan 8.270 nan 0.000 0.522 212 L N 0.915 122.098 121.223 -0.067 0.000 2.095 212 L HA -0.004 4.336 4.340 -0.000 0.000 0.204 212 L C 1.660 178.638 176.870 0.179 0.000 1.080 212 L CA 1.833 56.726 54.840 0.089 0.000 0.759 212 L CB -0.164 41.926 42.059 0.051 0.000 0.914 212 L HN 0.146 nan 8.230 nan 0.000 0.439 213 E N 0.410 120.710 120.200 0.167 0.000 2.265 213 E HA -0.062 4.287 4.350 -0.000 0.000 0.196 213 E C 0.937 177.615 176.600 0.130 0.000 0.996 213 E CA 0.464 56.960 56.400 0.160 0.000 0.832 213 E CB -0.266 29.526 29.700 0.153 0.000 0.756 213 E HN 0.575 nan 8.360 nan 0.000 0.491 214 A N 0.606 123.499 122.820 0.121 0.000 2.553 214 A HA 0.208 4.528 4.320 -0.000 0.000 0.258 214 A C 1.421 179.079 177.584 0.123 0.000 1.069 214 A CA 0.807 52.912 52.037 0.113 0.000 0.767 214 A CB -0.638 18.427 19.000 0.109 0.000 0.997 214 A HN 0.366 nan 8.150 nan 0.000 0.512 215 G N 1.353 110.217 108.800 0.107 0.000 2.270 215 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.268 215 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.268 215 G C 0.682 175.641 174.900 0.098 0.000 0.982 215 G CA 0.829 45.992 45.100 0.103 0.000 0.628 215 G HN 2.310 nan 8.290 nan 0.000 0.544 216 V N -0.180 119.796 119.914 0.105 0.000 2.644 216 V HA 0.239 4.359 4.120 -0.000 0.000 0.303 216 V C 0.762 176.902 176.094 0.077 0.000 1.058 216 V CA 0.068 62.425 62.300 0.094 0.000 1.228 216 V CB 0.312 32.202 31.823 0.112 0.000 0.861 216 V HN 0.661 nan 8.190 nan 0.000 0.484 217 N N 4.482 123.219 118.700 0.062 0.000 2.434 217 N HA 0.093 4.833 4.740 -0.000 0.000 0.273 217 N C 1.104 176.637 175.510 0.037 0.000 1.210 217 N CA 0.180 53.260 53.050 0.049 0.000 0.992 217 N CB 0.055 38.564 38.487 0.037 0.000 1.355 217 N HN 0.684 nan 8.380 nan 0.000 0.495 218 R N 1.935 122.460 120.500 0.042 0.000 2.185 218 R HA -0.144 4.196 4.340 -0.000 0.000 0.247 218 R C 0.304 176.614 176.300 0.016 0.000 1.159 218 R CA 1.212 57.333 56.100 0.034 0.000 0.988 218 R CB -0.020 30.300 30.300 0.033 0.000 0.871 218 R HN 0.528 nan 8.270 nan 0.000 0.458 219 K N 0.913 121.316 120.400 0.006 0.000 3.192 219 K HA 0.110 4.430 4.320 -0.000 0.000 0.269 219 K C -0.060 176.523 176.600 -0.029 0.000 1.270 219 K CA -0.303 55.976 56.287 -0.013 0.000 1.249 219 K CB 0.849 33.336 32.500 -0.021 0.000 1.528 219 K HN 0.120 nan 8.250 nan 0.000 0.360 220 G N 0.568 109.354 108.800 -0.024 0.000 2.322 220 G HA2 0.450 4.410 3.960 -0.000 0.000 0.309 220 G HA3 0.450 4.410 3.960 -0.000 0.000 0.309 220 G C 0.048 174.908 174.900 -0.066 0.000 1.121 220 G CA -0.628 44.439 45.100 -0.055 0.000 0.886 220 G HN 0.405 nan 8.290 nan 0.000 0.447 221 A N 1.547 124.270 122.820 -0.162 0.000 2.639 221 A HA 0.363 4.683 4.320 -0.000 0.000 0.229 221 A C 1.691 179.314 177.584 0.065 0.000 1.062 221 A CA 0.997 52.954 52.037 -0.134 0.000 0.761 221 A CB 0.258 18.933 19.000 -0.543 0.000 0.988 221 A HN 1.813 nan 8.150 nan 0.000 0.510 222 A N 1.217 124.131 122.820 0.156 0.000 2.197 222 A HA 0.543 4.863 4.320 -0.000 0.000 0.210 222 A C 1.484 179.210 177.584 0.237 0.000 1.180 222 A CA 1.168 53.304 52.037 0.164 0.000 0.846 222 A CB -0.772 18.280 19.000 0.087 0.000 0.884 222 A HN 2.951 nan 8.150 nan 0.000 0.487 223 G N -1.610 107.414 108.800 0.374 0.000 2.777 223 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.686 223 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.686 223 G C 0.113 175.144 174.900 0.217 0.000 1.177 223 G CA -0.135 45.072 45.100 0.177 0.000 0.775 223 G HN 0.619 nan 8.290 nan 0.000 0.613 224 F N 1.501 121.507 119.950 0.094 0.000 2.094 224 F HA -0.159 4.368 4.527 -0.000 0.000 0.300 224 F C 2.626 178.455 175.800 0.049 0.000 1.217 224 F CA 2.608 60.645 58.000 0.062 0.000 1.229 224 F CB -0.371 38.629 39.000 0.001 0.000 0.934 224 F HN 0.411 nan 8.300 nan 0.000 0.542 225 L N 0.059 121.449 121.223 0.279 0.000 2.834 225 L HA -0.051 4.289 4.340 -0.000 0.000 0.252 225 L C 0.137 177.066 176.870 0.098 0.000 1.152 225 L CA 0.489 55.393 54.840 0.107 0.000 0.898 225 L CB -1.121 40.942 42.059 0.007 0.000 1.078 225 L HN 0.258 nan 8.230 nan 0.000 0.439 226 E N 0.424 120.688 120.200 0.107 0.000 2.176 226 E HA 0.177 4.526 4.350 -0.000 0.000 0.267 226 E C 0.272 176.895 176.600 0.039 0.000 0.893 226 E CA -0.625 55.828 56.400 0.088 0.000 0.761 226 E CB 1.301 31.075 29.700 0.124 0.000 1.133 226 E HN 0.083 nan 8.360 nan 0.000 0.409 227 K N 3.533 123.949 120.400 0.027 0.000 1.969 227 K HA -0.125 4.195 4.320 -0.000 0.000 0.223 227 K C 0.337 176.946 176.600 0.016 0.000 1.048 227 K CA 1.413 57.706 56.287 0.010 0.000 0.983 227 K CB -0.518 31.988 32.500 0.010 0.000 0.738 227 K HN 0.257 nan 8.250 nan 0.000 0.446 228 K N 1.072 121.487 120.400 0.025 0.000 2.102 228 K HA 0.168 4.488 4.320 -0.000 0.000 0.244 228 K C 0.117 176.740 176.600 0.039 0.000 1.021 228 K CA -0.405 55.897 56.287 0.025 0.000 0.913 228 K CB 0.632 33.145 32.500 0.022 0.000 1.062 228 K HN 0.541 nan 8.250 nan 0.000 0.485 229 N N -0.564 118.155 118.700 0.032 0.000 2.989 229 N HA 0.335 5.075 4.740 -0.000 0.000 0.338 229 N C -0.516 175.019 175.510 0.040 0.000 1.369 229 N CA -0.892 52.182 53.050 0.039 0.000 0.794 229 N CB 0.505 39.005 38.487 0.023 0.000 1.359 229 N HN 0.113 nan 8.380 nan 0.000 0.609 230 I N 0.199 120.793 120.570 0.041 0.000 2.892 230 I HA 0.024 4.194 4.170 -0.000 0.000 0.287 230 I C 1.808 177.948 176.117 0.039 0.000 1.205 230 I CA 1.605 62.935 61.300 0.051 0.000 1.409 230 I CB -0.038 37.991 38.000 0.049 0.000 1.367 230 I HN 1.098 nan 8.210 nan 0.000 0.597 231 G N 4.914 113.741 108.800 0.045 0.000 4.039 231 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.220 231 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.220 231 G C 1.140 176.045 174.900 0.010 0.000 1.391 231 G CA 0.502 45.619 45.100 0.028 0.000 0.920 231 G HN 0.562 nan 8.290 nan 0.000 0.599 232 E N 0.353 120.559 120.200 0.011 0.000 2.031 232 E HA -0.001 4.349 4.350 -0.000 0.000 0.193 232 E C 2.752 179.351 176.600 -0.001 0.000 0.994 232 E CA 1.771 58.173 56.400 0.004 0.000 0.800 232 E CB -0.184 29.521 29.700 0.008 0.000 0.752 232 E HN 0.457 nan 8.360 nan 0.000 0.447 233 V N 1.346 121.268 119.914 0.014 0.000 2.407 233 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 233 V C 2.297 178.369 176.094 -0.036 0.000 1.055 233 V CA 1.413 63.722 62.300 0.014 0.000 1.049 233 V CB -0.497 31.360 31.823 0.057 0.000 0.662 233 V HN 0.280 nan 8.190 nan 0.000 0.455 234 L N -0.218 120.982 121.223 -0.038 0.000 1.989 234 L HA -0.192 4.148 4.340 -0.000 0.000 0.211 234 L C 2.463 179.229 176.870 -0.174 0.000 1.071 234 L CA 1.763 56.523 54.840 -0.134 0.000 0.749 234 L CB -0.843 41.193 42.059 -0.039 0.000 0.890 234 L HN 0.368 nan 8.230 nan 0.000 0.431 235 D N -0.167 120.180 120.400 -0.089 0.000 2.119 235 D HA -0.131 4.509 4.640 -0.000 0.000 0.199 235 D C 2.107 178.361 176.300 -0.076 0.000 0.987 235 D CA 1.624 55.579 54.000 -0.075 0.000 0.858 235 D CB -0.366 40.412 40.800 -0.037 0.000 1.008 235 D HN 0.169 nan 8.370 nan 0.000 0.450 236 S N 0.721 116.394 115.700 -0.045 0.000 2.359 236 S HA -0.086 4.384 4.470 -0.000 0.000 0.186 236 S C 1.425 176.010 174.600 -0.025 0.000 1.163 236 S CA 0.311 58.496 58.200 -0.025 0.000 1.479 236 S CB -0.602 62.593 63.200 -0.008 0.000 0.880 236 S HN 0.290 nan 8.310 nan 0.000 0.395 237 E N 1.471 121.667 120.200 -0.005 0.000 2.466 237 E HA -0.205 4.145 4.350 -0.000 0.000 0.208 237 E C 1.409 178.004 176.600 -0.007 0.000 1.196 237 E CA 0.171 56.582 56.400 0.018 0.000 0.955 237 E CB -0.323 29.399 29.700 0.036 0.000 0.919 237 E HN 0.315 nan 8.360 nan 0.000 0.619 238 K N 0.293 120.621 120.400 -0.121 0.000 2.044 238 K HA -0.221 4.099 4.320 -0.000 0.000 0.210 238 K C 1.864 178.358 176.600 -0.176 0.000 1.049 238 K CA 1.299 57.370 56.287 -0.360 0.000 0.927 238 K CB -0.004 32.118 32.500 -0.630 0.000 0.713 238 K HN 0.325 nan 8.250 nan 0.000 0.443 239 H N 0.299 119.323 119.070 -0.078 0.000 2.457 239 H HA -0.118 4.438 4.556 -0.000 0.000 0.297 239 H C 2.065 177.451 175.328 0.096 0.000 1.092 239 H CA 1.531 57.597 56.048 0.030 0.000 1.309 239 H CB 0.048 29.819 29.762 0.014 0.000 1.382 239 H HN 0.235 nan 8.280 nan 0.000 0.535 240 L N -0.227 121.108 121.223 0.188 0.000 2.056 240 L HA -0.146 4.193 4.340 -0.000 0.000 0.207 240 L C 2.670 179.656 176.870 0.192 0.000 1.078 240 L CA 0.571 55.508 54.840 0.162 0.000 0.749 240 L CB -0.401 41.729 42.059 0.118 0.000 0.901 240 L HN 0.051 nan 8.230 nan 0.000 0.433 241 V N 0.103 120.165 119.914 0.247 0.000 2.233 241 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 241 V C 2.399 178.686 176.094 0.322 0.000 1.050 241 V CA 2.006 64.503 62.300 0.329 0.000 1.010 241 V CB -0.715 31.470 31.823 0.604 0.000 0.637 241 V HN 0.474 nan 8.190 nan 0.000 0.444 242 E N -0.042 120.411 120.200 0.422 0.000 2.136 242 E HA -0.394 3.956 4.350 -0.000 0.000 0.202 242 E C 2.232 178.977 176.600 0.242 0.000 1.019 242 E CA 1.988 58.590 56.400 0.336 0.000 0.819 242 E CB -0.249 29.654 29.700 0.338 0.000 0.739 242 E HN 0.622 nan 8.360 nan 0.000 0.458 243 Q N 1.017 120.948 119.800 0.217 0.000 2.050 243 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 243 Q C 2.149 178.242 176.000 0.155 0.000 0.980 243 Q CA 1.067 56.973 55.803 0.172 0.000 0.840 243 Q CB -0.259 28.569 28.738 0.150 0.000 0.898 243 Q HN 0.306 nan 8.270 nan 0.000 0.424 244 L N -0.425 120.889 121.223 0.152 0.000 2.079 244 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 244 L C 2.038 178.983 176.870 0.124 0.000 1.081 244 L CA 1.154 56.065 54.840 0.118 0.000 0.752 244 L CB -0.269 41.856 42.059 0.110 0.000 0.896 244 L HN 0.221 nan 8.230 nan 0.000 0.433 245 V N -0.297 119.729 119.914 0.187 0.000 2.237 245 V HA -0.332 3.788 4.120 -0.000 0.000 0.245 245 V C 2.603 178.899 176.094 0.338 0.000 1.046 245 V CA 2.142 64.616 62.300 0.290 0.000 1.007 245 V CB -0.722 31.272 31.823 0.284 0.000 0.638 245 V HN 0.489 nan 8.190 nan 0.000 0.445 246 R N -0.167 120.490 120.500 0.261 0.000 2.127 246 R HA -0.192 4.148 4.340 -0.000 0.000 0.238 246 R C 1.945 178.345 176.300 0.166 0.000 1.134 246 R CA 1.885 58.114 56.100 0.216 0.000 0.975 246 R CB -0.269 30.127 30.300 0.160 0.000 0.865 246 R HN 0.588 nan 8.270 nan 0.000 0.447 247 D N 0.215 120.696 120.400 0.135 0.000 2.103 247 D HA -0.137 4.503 4.640 -0.000 0.000 0.199 247 D C 1.792 178.128 176.300 0.059 0.000 0.978 247 D CA 0.690 54.742 54.000 0.087 0.000 0.829 247 D CB -0.135 40.708 40.800 0.072 0.000 0.981 247 D HN 0.119 nan 8.370 nan 0.000 0.464 248 L N 1.155 122.388 121.223 0.015 0.000 2.056 248 L HA -0.075 4.265 4.340 -0.000 0.000 0.207 248 L C 2.173 179.058 176.870 0.024 0.000 1.078 248 L CA 1.383 56.135 54.840 -0.147 0.000 0.749 248 L CB -0.936 40.762 42.059 -0.603 0.000 0.901 248 L HN 0.027 nan 8.230 nan 0.000 0.433 249 K N -0.298 120.296 120.400 0.322 0.000 2.026 249 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 249 K C 1.958 178.685 176.600 0.211 0.000 1.048 249 K CA 1.533 58.108 56.287 0.481 0.000 0.929 249 K CB 0.061 32.857 32.500 0.494 0.000 0.713 249 K HN 0.256 nan 8.250 nan 0.000 0.439 250 A N 0.142 123.042 122.820 0.134 0.000 1.972 250 A HA 0.011 4.331 4.320 -0.000 0.000 0.219 250 A C 1.537 179.153 177.584 0.053 0.000 1.169 250 A CA 1.699 53.779 52.037 0.071 0.000 0.635 250 A CB -0.644 18.391 19.000 0.058 0.000 0.810 250 A HN 0.628 nan 8.150 nan 0.000 0.446 251 G N -1.579 107.249 108.800 0.047 0.000 2.132 251 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.234 251 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.234 251 G C 0.147 175.051 174.900 0.005 0.000 0.989 251 G CA 0.221 45.329 45.100 0.013 0.000 0.676 251 G HN 0.640 nan 8.290 nan 0.000 0.522 252 R N 0.036 120.549 120.500 0.022 0.000 2.540 252 R HA 0.457 4.797 4.340 -0.000 0.000 0.287 252 R C 0.110 176.436 176.300 0.044 0.000 0.980 252 R CA -1.114 55.002 56.100 0.026 0.000 0.966 252 R CB 0.693 31.011 30.300 0.030 0.000 1.106 252 R HN 0.011 nan 8.270 nan 0.000 0.480 253 K N 1.980 122.410 120.400 0.050 0.000 2.508 253 K HA -0.162 4.158 4.320 -0.000 0.000 0.262 253 K C 0.073 176.730 176.600 0.094 0.000 1.016 253 K CA 1.074 57.409 56.287 0.081 0.000 1.122 253 K CB -0.116 32.421 32.500 0.061 0.000 0.778 253 K HN 0.507 nan 8.250 nan 0.000 0.469 254 I N 0.927 121.578 120.570 0.136 0.000 3.006 254 I HA 0.224 4.394 4.170 -0.000 0.000 0.306 254 I C -1.105 175.038 176.117 0.044 0.000 1.250 254 I CA -0.891 60.460 61.300 0.085 0.000 0.996 254 I CB 2.135 40.179 38.000 0.073 0.000 1.261 254 I HN 0.540 nan 8.210 nan 0.000 0.442 255 K N 5.605 126.024 120.400 0.033 0.000 2.296 255 K HA 0.234 4.554 4.320 -0.000 0.000 0.257 255 K C -1.277 175.353 176.600 0.050 0.000 1.088 255 K CA -0.361 55.948 56.287 0.036 0.000 0.980 255 K CB 0.589 33.123 32.500 0.057 0.000 1.430 255 K HN 0.324 nan 8.250 nan 0.000 0.441 256 Y N 4.076 124.230 120.300 -0.245 0.000 2.308 256 Y HA 0.283 4.833 4.550 -0.000 0.000 0.329 256 Y C -0.673 175.191 175.900 -0.059 0.000 1.111 256 Y CA -0.390 57.539 58.100 -0.285 0.000 1.179 256 Y CB 0.570 38.642 38.460 -0.646 0.000 1.201 256 Y HN 0.521 nan 8.280 nan 0.000 0.483 257 Y N 1.366 121.098 120.300 -0.947 0.000 2.702 257 Y HA 0.652 5.202 4.550 -0.000 0.000 0.336 257 Y C -1.921 173.520 175.900 -0.765 0.000 1.203 257 Y CA -1.428 56.252 58.100 -0.701 0.000 1.072 257 Y CB 1.061 39.285 38.460 -0.393 0.000 1.327 257 Y HN 0.541 nan 8.280 nan 0.000 0.456 258 E N 0.602 120.502 120.200 -0.500 0.000 2.288 258 E HA 0.575 4.925 4.350 -0.000 0.000 0.268 258 E C -1.403 175.016 176.600 -0.301 0.000 0.885 258 E CA -1.408 54.685 56.400 -0.513 0.000 0.767 258 E CB 2.518 32.006 29.700 -0.353 0.000 1.220 258 E HN 0.653 nan 8.360 nan 0.000 0.427 259 T N 1.214 115.480 114.554 -0.481 0.000 2.795 259 T HA 0.561 4.911 4.350 -0.000 0.000 0.282 259 T C -0.678 173.908 174.700 -0.190 0.000 0.980 259 T CA -0.610 61.297 62.100 -0.322 0.000 1.012 259 T CB 1.155 69.758 68.868 -0.442 0.000 0.936 259 T HN 0.465 nan 8.240 nan 0.000 0.457 260 A N 4.455 127.307 122.820 0.054 0.000 2.273 260 A HA 0.803 5.123 4.320 -0.000 0.000 0.315 260 A C -0.075 177.779 177.584 0.451 0.000 1.256 260 A CA -0.848 51.356 52.037 0.278 0.000 0.851 260 A CB 0.169 19.364 19.000 0.324 0.000 1.172 260 A HN 0.915 nan 8.150 nan 0.000 0.508 261 I N 0.125 120.901 120.570 0.343 0.000 3.042 261 I HA 0.796 4.966 4.170 -0.000 0.000 0.310 261 I C -2.943 173.069 176.117 -0.176 0.000 1.117 261 I CA -3.032 58.262 61.300 -0.010 0.000 1.003 261 I CB 2.991 41.016 38.000 0.042 0.000 1.228 261 I HN 0.317 nan 8.210 nan 0.000 0.443 262 P HA 0.225 nan 4.420 nan 0.000 0.301 262 P C -1.158 176.058 177.300 -0.139 0.000 1.348 262 P CA -0.504 62.401 63.100 -0.324 0.000 0.826 262 P CB 1.477 32.833 31.700 -0.573 0.000 0.945 263 K N 3.887 124.272 120.400 -0.024 0.000 2.430 263 K HA -0.033 4.287 4.320 -0.000 0.000 0.280 263 K C 0.148 176.731 176.600 -0.029 0.000 1.063 263 K CA -0.064 56.210 56.287 -0.021 0.000 1.071 263 K CB -0.251 32.252 32.500 0.004 0.000 0.899 263 K HN 0.282 nan 8.250 nan 0.000 0.473 264 N N 4.703 123.379 118.700 -0.040 0.000 2.402 264 N HA 0.006 4.746 4.740 -0.000 0.000 0.252 264 N C -1.404 174.094 175.510 -0.020 0.000 1.118 264 N CA -0.114 52.916 53.050 -0.034 0.000 0.945 264 N CB 0.462 38.924 38.487 -0.041 0.000 1.147 264 N HN 0.725 nan 8.380 nan 0.000 0.495 265 E N 1.247 121.440 120.200 -0.013 0.000 2.437 265 E HA 0.347 4.697 4.350 -0.000 0.000 0.280 265 E C -1.267 175.330 176.600 -0.005 0.000 1.044 265 E CA -0.973 55.424 56.400 -0.004 0.000 0.826 265 E CB 0.919 30.619 29.700 0.000 0.000 1.358 265 E HN 0.144 nan 8.360 nan 0.000 0.459 266 K N 0.715 121.114 120.400 -0.001 0.000 2.118 266 K HA 0.493 4.813 4.320 -0.000 0.000 0.264 266 K C -0.392 176.199 176.600 -0.015 0.000 1.000 266 K CA -0.358 55.923 56.287 -0.010 0.000 0.929 266 K CB 1.255 33.750 32.500 -0.009 0.000 1.021 266 K HN 0.319 nan 8.250 nan 0.000 0.463 267 R N 0.964 121.444 120.500 -0.033 0.000 2.725 267 R HA 0.165 4.505 4.340 -0.000 0.000 0.277 267 R C -1.333 174.908 176.300 -0.098 0.000 0.987 267 R CA -1.100 54.971 56.100 -0.049 0.000 0.901 267 R CB 1.599 31.878 30.300 -0.035 0.000 1.207 267 R HN 0.634 nan 8.270 nan 0.000 0.463 268 D N 1.418 121.753 120.400 -0.109 0.000 2.425 268 D HA 0.097 4.737 4.640 -0.000 0.000 0.247 268 D C 0.479 176.654 176.300 -0.207 0.000 1.147 268 D CA -0.020 53.878 54.000 -0.169 0.000 0.879 268 D CB 1.219 41.938 40.800 -0.135 0.000 1.179 268 D HN 0.347 nan 8.370 nan 0.000 0.456 269 V N 1.302 121.004 119.914 -0.354 0.000 3.017 269 V HA 0.211 4.331 4.120 -0.000 0.000 0.354 269 V C 1.535 177.333 176.094 -0.493 0.000 1.389 269 V CA 0.145 62.210 62.300 -0.391 0.000 1.163 269 V CB -0.191 31.347 31.823 -0.475 0.000 1.178 269 V HN 0.486 nan 8.190 nan 0.000 0.547 270 S N 1.829 117.306 115.700 -0.372 0.000 2.359 270 S HA -0.279 4.191 4.470 -0.000 0.000 0.222 270 S C 1.668 176.189 174.600 -0.133 0.000 1.038 270 S CA 2.589 60.629 58.200 -0.266 0.000 1.051 270 S CB -0.337 62.750 63.200 -0.187 0.000 0.944 270 S HN 0.756 nan 8.310 nan 0.000 0.433 271 D N 1.338 121.679 120.400 -0.097 0.000 2.104 271 D HA -0.120 4.520 4.640 -0.000 0.000 0.194 271 D C 1.752 178.056 176.300 0.007 0.000 0.994 271 D CA 1.341 55.319 54.000 -0.037 0.000 0.830 271 D CB -0.749 40.031 40.800 -0.034 0.000 0.959 271 D HN 0.522 nan 8.370 nan 0.000 0.452 272 D N 0.271 120.671 120.400 0.001 0.000 2.182 272 D HA -0.176 4.464 4.640 -0.000 0.000 0.193 272 D C 2.052 178.487 176.300 0.225 0.000 0.999 272 D CA 0.976 55.033 54.000 0.096 0.000 0.850 272 D CB -0.369 40.494 40.800 0.105 0.000 0.994 272 D HN 0.309 nan 8.370 nan 0.000 0.450 273 W N 1.356 122.650 121.300 -0.009 0.000 2.387 273 W HA -0.104 4.556 4.660 -0.000 0.000 0.272 273 W C 2.511 179.024 176.519 -0.011 0.000 1.224 273 W CA 0.189 57.528 57.345 -0.009 0.000 1.210 273 W CB -1.251 28.202 29.460 -0.012 0.000 1.125 273 W HN 0.200 nan 8.180 nan 0.000 0.572 274 Q N 0.308 120.220 119.800 0.187 0.000 2.096 274 Q HA -0.050 4.290 4.340 -0.000 0.000 0.204 274 Q C 1.181 177.234 176.000 0.088 0.000 0.982 274 Q CA 1.835 57.699 55.803 0.101 0.000 0.850 274 Q CB -0.432 28.331 28.738 0.042 0.000 0.901 274 Q HN 0.091 nan 8.270 nan 0.000 0.422 275 A N -1.459 121.414 122.820 0.088 0.000 2.264 275 A HA 0.545 4.865 4.320 -0.000 0.000 0.304 275 A C 1.287 178.917 177.584 0.076 0.000 1.100 275 A CA -0.049 52.027 52.037 0.065 0.000 0.839 275 A CB 0.347 19.378 19.000 0.052 0.000 1.121 275 A HN 0.424 nan 8.150 nan 0.000 0.496 276 G N -0.000 108.828 108.800 0.046 0.000 2.606 276 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.223 276 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.223 276 G C 0.492 175.411 174.900 0.033 0.000 1.106 276 G CA 1.372 46.489 45.100 0.029 0.000 0.745 276 G HN 0.827 nan 8.290 nan 0.000 0.597 277 D N 0.473 120.911 120.400 0.062 0.000 2.376 277 D HA 0.068 4.707 4.640 -0.000 0.000 0.278 277 D C 0.677 177.055 176.300 0.131 0.000 1.384 277 D CA 0.101 54.148 54.000 0.078 0.000 1.033 277 D CB -0.195 40.658 40.800 0.089 0.000 1.102 277 D HN 0.084 nan 8.370 nan 0.000 0.530 278 L N 5.410 126.642 121.223 0.014 0.000 2.719 278 L HA 0.146 4.486 4.340 -0.000 0.000 0.236 278 L C 0.342 177.201 176.870 -0.019 0.000 1.285 278 L CA -0.885 53.862 54.840 -0.155 0.000 1.222 278 L CB -0.243 41.599 42.059 -0.361 0.000 1.493 278 L HN 0.255 nan 8.230 nan 0.000 0.415 279 V N -1.002 119.058 119.914 0.244 0.000 3.230 279 V HA -0.073 4.047 4.120 -0.000 0.000 0.302 279 V C 1.055 177.315 176.094 0.276 0.000 1.158 279 V CA 0.018 62.461 62.300 0.238 0.000 1.279 279 V CB 1.095 33.066 31.823 0.247 0.000 0.983 279 V HN 0.272 nan 8.190 nan 0.000 0.506 280 V N 2.382 122.396 119.914 0.166 0.000 3.548 280 V HA 0.285 4.405 4.120 -0.000 0.000 0.279 280 V C 0.492 176.661 176.094 0.125 0.000 1.446 280 V CA 0.979 63.365 62.300 0.143 0.000 1.023 280 V CB -0.420 31.441 31.823 0.063 0.000 0.820 280 V HN 1.201 nan 8.190 nan 0.000 0.438 281 E N -0.333 119.931 120.200 0.107 0.000 2.407 281 E HA 0.591 4.941 4.350 -0.000 0.000 0.279 281 E C -1.208 175.430 176.600 0.064 0.000 1.012 281 E CA -1.019 55.424 56.400 0.072 0.000 0.800 281 E CB 2.429 32.159 29.700 0.050 0.000 1.276 281 E HN 0.015 nan 8.360 nan 0.000 0.452 282 K N 1.050 121.477 120.400 0.044 0.000 2.259 282 K HA 0.327 4.647 4.320 -0.000 0.000 0.249 282 K C -0.604 176.021 176.600 0.041 0.000 0.942 282 K CA -0.981 55.329 56.287 0.038 0.000 0.816 282 K CB 1.677 34.187 32.500 0.018 0.000 1.155 282 K HN 0.597 nan 8.250 nan 0.000 0.428 283 R N 4.352 124.879 120.500 0.046 0.000 2.585 283 R HA 0.121 4.461 4.340 -0.000 0.000 0.275 283 R C -2.089 174.251 176.300 0.066 0.000 1.018 283 R CA -0.837 55.299 56.100 0.059 0.000 1.072 283 R CB 0.095 30.429 30.300 0.057 0.000 0.953 283 R HN 0.409 nan 8.270 nan 0.000 0.419 284 P HA 0.116 nan 4.420 nan 0.000 0.274 284 P C -0.982 176.390 177.300 0.121 0.000 1.231 284 P CA -0.238 62.918 63.100 0.095 0.000 0.790 284 P CB 0.884 32.648 31.700 0.107 0.000 0.951 285 R N 0.674 121.232 120.500 0.096 0.000 2.441 285 R HA 0.363 4.703 4.340 -0.000 0.000 0.284 285 R C -0.024 176.376 176.300 0.166 0.000 1.070 285 R CA -0.820 55.345 56.100 0.107 0.000 1.047 285 R CB 0.959 31.301 30.300 0.070 0.000 1.016 285 R HN 0.388 nan 8.270 nan 0.000 0.477 286 V N 2.547 122.586 119.914 0.207 0.000 2.370 286 V HA 0.467 4.587 4.120 -0.000 0.000 0.279 286 V C 0.026 176.263 176.094 0.237 0.000 1.029 286 V CA -0.629 61.861 62.300 0.318 0.000 0.870 286 V CB 0.959 33.007 31.823 0.375 0.000 0.984 286 V HN 0.585 nan 8.190 nan 0.000 0.451 287 I N 5.641 126.355 120.570 0.239 0.000 2.365 287 I HA 0.430 4.600 4.170 -0.000 0.000 0.291 287 I C 0.092 176.381 176.117 0.287 0.000 1.004 287 I CA -0.215 61.217 61.300 0.219 0.000 1.311 287 I CB 1.464 39.569 38.000 0.176 0.000 1.401 287 I HN 0.693 nan 8.210 nan 0.000 0.491 288 Q N 7.404 127.348 119.800 0.239 0.000 2.363 288 Q HA 0.402 4.742 4.340 -0.000 0.000 0.265 288 Q C -1.502 174.603 176.000 0.176 0.000 1.032 288 Q CA -0.674 55.230 55.803 0.168 0.000 0.746 288 Q CB 1.902 30.712 28.738 0.121 0.000 1.237 288 Q HN 0.598 nan 8.270 nan 0.000 0.475 289 Y N 0.041 120.339 120.300 -0.003 0.000 2.545 289 Y HA 0.826 5.376 4.550 -0.000 0.000 0.348 289 Y C -3.107 172.715 175.900 -0.130 0.000 1.002 289 Y CA -3.260 54.819 58.100 -0.035 0.000 1.039 289 Y CB 1.290 39.742 38.460 -0.013 0.000 1.271 289 Y HN 0.317 nan 8.280 nan 0.000 0.467 290 P HA 0.223 nan 4.420 nan 0.000 0.279 290 P C -0.739 176.467 177.300 -0.157 0.000 1.276 290 P CA -0.567 62.341 63.100 -0.320 0.000 0.801 290 P CB 0.846 32.493 31.700 -0.089 0.000 1.127 291 E N -0.502 119.525 120.200 -0.287 0.000 2.447 291 E HA 0.036 4.386 4.350 -0.000 0.000 0.259 291 E C 1.221 177.860 176.600 0.064 0.000 1.196 291 E CA 0.018 56.369 56.400 -0.083 0.000 0.995 291 E CB 0.196 29.831 29.700 -0.110 0.000 0.974 291 E HN 0.400 nan 8.360 nan 0.000 0.465 292 A N 2.146 125.029 122.820 0.104 0.000 1.929 292 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 292 A C 1.779 179.425 177.584 0.104 0.000 1.176 292 A CA 1.296 53.395 52.037 0.104 0.000 0.628 292 A CB -0.110 18.948 19.000 0.096 0.000 0.816 292 A HN 0.493 nan 8.150 nan 0.000 0.444 293 K N -0.866 119.591 120.400 0.094 0.000 2.001 293 K HA -0.095 4.225 4.320 -0.000 0.000 0.208 293 K C 2.124 178.787 176.600 0.105 0.000 1.048 293 K CA 1.785 58.140 56.287 0.113 0.000 0.932 293 K CB -0.459 32.100 32.500 0.099 0.000 0.715 293 K HN 0.416 nan 8.250 nan 0.000 0.437 294 T N 0.922 115.515 114.554 0.065 0.000 2.746 294 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 294 T C 1.867 176.613 174.700 0.076 0.000 1.039 294 T CA 1.165 63.303 62.100 0.063 0.000 1.142 294 T CB -0.094 68.805 68.868 0.050 0.000 0.866 294 T HN 0.221 nan 8.240 nan 0.000 0.444 295 R N 0.052 120.599 120.500 0.080 0.000 2.082 295 R HA -0.066 4.274 4.340 -0.000 0.000 0.234 295 R C 2.319 178.664 176.300 0.075 0.000 1.136 295 R CA 1.187 57.334 56.100 0.079 0.000 0.935 295 R CB -0.607 29.743 30.300 0.082 0.000 0.842 295 R HN 0.201 nan 8.270 nan 0.000 0.430 296 L N 0.558 121.843 121.223 0.103 0.000 1.990 296 L HA -0.228 4.112 4.340 -0.000 0.000 0.213 296 L C 2.444 179.341 176.870 0.047 0.000 1.072 296 L CA 2.130 57.040 54.840 0.116 0.000 0.755 296 L CB -1.287 40.920 42.059 0.247 0.000 0.889 296 L HN 0.253 nan 8.230 nan 0.000 0.432 297 A N -0.192 122.680 122.820 0.087 0.000 1.863 297 A HA -0.294 4.025 4.320 -0.000 0.000 0.218 297 A C 2.312 179.937 177.584 0.068 0.000 1.233 297 A CA 2.544 54.623 52.037 0.070 0.000 0.655 297 A CB -1.085 17.973 19.000 0.096 0.000 0.839 297 A HN 0.405 nan 8.150 nan 0.000 0.454 298 I N -0.771 119.861 120.570 0.103 0.000 2.068 298 I HA -0.320 3.850 4.170 -0.000 0.000 0.238 298 I C 2.669 178.798 176.117 0.019 0.000 1.046 298 I CA 2.186 63.572 61.300 0.143 0.000 1.306 298 I CB -0.951 37.096 38.000 0.080 0.000 1.023 298 I HN 0.349 nan 8.210 nan 0.000 0.399 299 T N 0.186 114.740 114.554 -0.000 0.000 2.778 299 T HA -0.281 4.069 4.350 -0.000 0.000 0.269 299 T C 1.867 176.552 174.700 -0.025 0.000 1.050 299 T CA 1.711 63.795 62.100 -0.027 0.000 1.137 299 T CB -0.268 68.597 68.868 -0.004 0.000 0.860 299 T HN 0.309 nan 8.240 nan 0.000 0.468 300 K N 0.559 120.898 120.400 -0.101 0.000 2.057 300 K HA -0.059 4.261 4.320 -0.000 0.000 0.206 300 K C 2.427 178.878 176.600 -0.248 0.000 1.050 300 K CA 1.328 57.490 56.287 -0.209 0.000 0.935 300 K CB -0.239 31.979 32.500 -0.470 0.000 0.715 300 K HN 0.310 nan 8.250 nan 0.000 0.439 301 V N -0.223 119.468 119.914 -0.372 0.000 2.379 301 V HA -0.028 4.092 4.120 -0.000 0.000 0.243 301 V C 1.501 177.280 176.094 -0.525 0.000 1.035 301 V CA 1.224 63.113 62.300 -0.685 0.000 1.035 301 V CB -0.198 30.748 31.823 -1.463 0.000 0.673 301 V HN 0.259 nan 8.190 nan 0.000 0.457 302 M N -0.656 118.675 119.600 -0.448 0.000 2.652 302 M HA 0.158 4.638 4.480 -0.000 0.000 0.226 302 M C 1.419 177.690 176.300 -0.047 0.000 1.244 302 M CA 0.241 55.355 55.300 -0.310 0.000 0.986 302 M CB -0.473 31.902 32.600 -0.375 0.000 1.666 302 M HN 0.600 nan 8.290 nan 0.000 0.460 303 Y N 2.098 122.313 120.300 -0.142 0.000 2.040 303 Y HA -0.376 4.174 4.550 -0.000 0.000 0.275 303 Y C 1.699 177.519 175.900 -0.134 0.000 1.171 303 Y CA 2.530 60.557 58.100 -0.121 0.000 1.123 303 Y CB -0.229 38.159 38.460 -0.120 0.000 0.963 303 Y HN 0.355 nan 8.280 nan 0.000 0.493 304 N N -0.544 118.215 118.700 0.098 0.000 2.091 304 N HA -0.298 4.442 4.740 -0.000 0.000 0.193 304 N C 1.721 177.030 175.510 -0.334 0.000 1.021 304 N CA 1.853 54.789 53.050 -0.189 0.000 0.862 304 N CB -0.675 37.423 38.487 -0.648 0.000 1.018 304 N HN 0.655 nan 8.380 nan 0.000 0.429 305 W N 1.112 122.135 121.300 -0.462 0.000 2.501 305 W HA -0.012 4.648 4.660 -0.000 0.000 0.309 305 W C 1.655 177.989 176.519 -0.308 0.000 1.165 305 W CA 0.499 57.635 57.345 -0.349 0.000 1.381 305 W CB -0.587 28.791 29.460 -0.137 0.000 1.142 305 W HN -0.158 nan 8.180 nan 0.000 0.509 306 V N 2.030 121.794 119.914 -0.250 0.000 2.380 306 V HA -0.311 3.809 4.120 -0.000 0.000 0.251 306 V C 2.104 177.915 176.094 -0.471 0.000 1.063 306 V CA 2.368 64.434 62.300 -0.390 0.000 1.055 306 V CB -0.825 30.874 31.823 -0.205 0.000 0.657 306 V HN 0.006 nan 8.190 nan 0.000 0.455 307 K N -0.908 119.194 120.400 -0.497 0.000 2.393 307 K HA 0.137 4.457 4.320 -0.000 0.000 0.193 307 K C 0.727 177.106 176.600 -0.368 0.000 1.026 307 K CA 0.039 56.029 56.287 -0.494 0.000 1.064 307 K CB 0.071 32.056 32.500 -0.858 0.000 0.833 307 K HN 0.350 nan 8.250 nan 0.000 0.521 308 Q N 0.376 119.918 119.800 -0.430 0.000 2.435 308 Q HA -0.267 4.073 4.340 -0.000 0.000 0.312 308 Q C 0.311 176.221 176.000 -0.151 0.000 1.333 308 Q CA 0.491 56.059 55.803 -0.390 0.000 0.883 308 Q CB -1.269 27.059 28.738 -0.684 0.000 1.170 308 Q HN 0.333 nan 8.270 nan 0.000 0.443 309 Q N -0.905 118.858 119.800 -0.061 0.000 2.050 309 Q HA -0.034 4.306 4.340 -0.000 0.000 0.202 309 Q C -1.090 174.953 176.000 0.072 0.000 0.980 309 Q CA 1.458 57.293 55.803 0.053 0.000 0.840 309 Q CB -0.643 28.180 28.738 0.142 0.000 0.898 309 Q HN 0.492 nan 8.270 nan 0.000 0.424 310 P HA 0.182 nan 4.420 nan 0.000 0.253 310 P C -0.983 176.372 177.300 0.092 0.000 1.667 310 P CA -0.286 62.900 63.100 0.143 0.000 1.118 310 P CB 1.000 32.859 31.700 0.265 0.000 1.595 311 V N 4.124 124.065 119.914 0.045 0.000 2.441 311 V HA -0.064 4.056 4.120 -0.000 0.000 0.279 311 V C 1.737 177.848 176.094 0.028 0.000 0.990 311 V CA 0.702 62.996 62.300 -0.010 0.000 1.116 311 V CB 0.111 31.972 31.823 0.063 0.000 0.977 311 V HN 0.475 nan 8.190 nan 0.000 0.470 312 V N 3.983 123.894 119.914 -0.006 0.000 3.578 312 V HA 0.428 4.548 4.120 -0.000 0.000 0.290 312 V C 0.535 176.686 176.094 0.096 0.000 1.376 312 V CA 0.283 62.638 62.300 0.091 0.000 1.083 312 V CB -0.146 31.727 31.823 0.082 0.000 0.911 312 V HN 0.581 nan 8.190 nan 0.000 0.433 313 I N 2.866 123.429 120.570 -0.011 0.000 2.307 313 I HA 0.430 4.599 4.170 -0.000 0.000 0.289 313 I C -2.331 173.827 176.117 0.068 0.000 1.021 313 I CA -2.077 59.232 61.300 0.015 0.000 1.224 313 I CB 1.302 39.228 38.000 -0.123 0.000 1.376 313 I HN 0.074 nan 8.210 nan 0.000 0.470 314 P HA -0.062 nan 4.420 nan 0.000 0.263 314 P C 1.040 178.353 177.300 0.023 0.000 1.168 314 P CA 0.825 63.942 63.100 0.027 0.000 0.759 314 P CB 0.493 32.188 31.700 -0.008 0.000 0.782 315 G N 2.128 110.924 108.800 -0.007 0.000 2.216 315 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.269 315 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.269 315 G C 0.173 175.131 174.900 0.097 0.000 0.981 315 G CA 0.216 45.299 45.100 -0.029 0.000 0.658 315 G HN 0.642 nan 8.290 nan 0.000 0.539 316 Y N 1.328 121.627 120.300 -0.003 0.000 2.802 316 Y HA 0.317 4.867 4.550 -0.000 0.000 0.333 316 Y C 0.971 176.885 175.900 0.023 0.000 1.244 316 Y CA 0.545 58.637 58.100 -0.013 0.000 1.558 316 Y CB 0.683 39.096 38.460 -0.078 0.000 1.233 316 Y HN 0.204 nan 8.280 nan 0.000 0.547 317 E N 4.275 124.154 120.200 -0.536 0.000 2.939 317 E HA 0.268 4.618 4.350 -0.000 0.000 0.215 317 E C 0.896 177.102 176.600 -0.657 0.000 1.025 317 E CA 0.352 56.514 56.400 -0.397 0.000 1.259 317 E CB -0.211 29.506 29.700 0.030 0.000 1.228 317 E HN 0.824 nan 8.360 nan 0.000 0.443 318 G N 0.342 108.365 108.800 -1.295 0.000 2.777 318 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.211 318 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.211 318 G C 1.195 175.920 174.900 -0.292 0.000 1.149 318 G CA 0.007 44.654 45.100 -0.755 0.000 0.785 318 G HN 0.216 nan 8.290 nan 0.000 0.536 319 K N -0.343 119.947 120.400 -0.183 0.000 2.380 319 K HA 0.138 4.458 4.320 -0.000 0.000 0.198 319 K C 0.056 176.619 176.600 -0.061 0.000 1.070 319 K CA 0.113 56.382 56.287 -0.030 0.000 1.040 319 K CB 0.882 33.441 32.500 0.098 0.000 0.903 319 K HN 0.038 nan 8.250 nan 0.000 0.549 320 T N 3.498 117.982 114.554 -0.116 0.000 2.771 320 T HA 0.258 4.608 4.350 -0.000 0.000 0.291 320 T C -2.642 171.913 174.700 -0.241 0.000 0.954 320 T CA -1.629 60.394 62.100 -0.129 0.000 1.045 320 T CB 1.516 70.324 68.868 -0.099 0.000 0.917 320 T HN -0.145 nan 8.240 nan 0.000 0.484 321 P HA 0.141 nan 4.420 nan 0.000 0.271 321 P C 0.749 177.573 177.300 -0.793 0.000 1.216 321 P CA -0.549 62.157 63.100 -0.657 0.000 0.776 321 P CB 0.495 31.581 31.700 -1.023 0.000 0.881 322 L N 2.661 123.471 121.223 -0.687 0.000 2.261 322 L HA -0.136 4.204 4.340 -0.000 0.000 0.216 322 L C 1.674 178.261 176.870 -0.472 0.000 1.114 322 L CA 1.677 56.179 54.840 -0.563 0.000 0.777 322 L CB -1.752 39.992 42.059 -0.525 0.000 0.910 322 L HN 0.444 nan 8.230 nan 0.000 0.440 323 F N -0.102 119.736 119.950 -0.187 0.000 2.771 323 F HA 0.039 4.565 4.527 -0.000 0.000 0.299 323 F C 1.149 176.910 175.800 -0.064 0.000 1.177 323 F CA 0.263 58.180 58.000 -0.139 0.000 1.450 323 F CB -1.375 37.520 39.000 -0.176 0.000 1.114 323 F HN 0.387 nan 8.300 nan 0.000 0.587 324 N N -0.764 117.993 118.700 0.095 0.000 1.986 324 N HA 0.049 4.789 4.740 -0.000 0.000 0.227 324 N C 0.902 176.436 175.510 0.041 0.000 1.387 324 N CA 0.073 53.207 53.050 0.141 0.000 0.810 324 N CB -1.100 37.509 38.487 0.204 0.000 1.140 324 N HN 0.366 nan 8.380 nan 0.000 0.504 325 I N 0.262 120.772 120.570 -0.101 0.000 2.090 325 I HA -0.116 4.054 4.170 -0.000 0.000 0.236 325 I C 1.319 177.416 176.117 -0.033 0.000 1.064 325 I CA 1.441 62.651 61.300 -0.151 0.000 1.324 325 I CB -0.161 37.632 38.000 -0.344 0.000 1.044 325 I HN 0.042 nan 8.210 nan 0.000 0.399 326 F N 1.170 121.148 119.950 0.047 0.000 2.225 326 F HA -0.332 4.195 4.527 -0.000 0.000 0.302 326 F C 2.245 178.158 175.800 0.189 0.000 1.068 326 F CA 1.121 59.178 58.000 0.095 0.000 1.327 326 F CB -0.397 38.646 39.000 0.072 0.000 1.043 326 F HN 0.276 nan 8.300 nan 0.000 0.506 327 D N 0.136 120.745 120.400 0.349 0.000 2.144 327 D HA -0.164 4.476 4.640 -0.000 0.000 0.200 327 D C 2.103 178.529 176.300 0.209 0.000 0.978 327 D CA 1.010 55.179 54.000 0.282 0.000 0.833 327 D CB -0.263 40.669 40.800 0.221 0.000 0.961 327 D HN 0.284 nan 8.370 nan 0.000 0.470 328 K N 0.803 121.309 120.400 0.177 0.000 2.025 328 K HA -0.081 4.238 4.320 -0.000 0.000 0.207 328 K C 2.036 178.761 176.600 0.207 0.000 1.049 328 K CA 0.661 57.042 56.287 0.158 0.000 0.933 328 K CB 0.060 32.635 32.500 0.125 0.000 0.714 328 K HN -0.114 nan 8.250 nan 0.000 0.438 329 V N 1.580 121.628 119.914 0.223 0.000 2.568 329 V HA -0.231 3.889 4.120 -0.000 0.000 0.253 329 V C 2.389 178.740 176.094 0.427 0.000 1.072 329 V CA 1.890 64.380 62.300 0.317 0.000 1.084 329 V CB -0.629 31.364 31.823 0.284 0.000 0.676 329 V HN 0.340 nan 8.190 nan 0.000 0.469 330 R N 0.749 121.424 120.500 0.291 0.000 2.096 330 R HA -0.117 4.223 4.340 -0.000 0.000 0.235 330 R C 2.223 178.597 176.300 0.123 0.000 1.127 330 R CA 1.422 57.506 56.100 -0.027 0.000 0.968 330 R CB -0.337 29.851 30.300 -0.185 0.000 0.861 330 R HN 0.332 nan 8.270 nan 0.000 0.440 331 K N 0.881 121.379 120.400 0.163 0.000 2.009 331 K HA -0.152 4.167 4.320 -0.000 0.000 0.210 331 K C 1.977 178.702 176.600 0.207 0.000 1.049 331 K CA 2.075 58.453 56.287 0.151 0.000 0.929 331 K CB -0.387 32.189 32.500 0.127 0.000 0.714 331 K HN 0.451 nan 8.250 nan 0.000 0.440 332 E N -0.107 120.258 120.200 0.276 0.000 2.085 332 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 332 E C 1.866 178.764 176.600 0.496 0.000 0.994 332 E CA 0.860 57.471 56.400 0.350 0.000 0.801 332 E CB -0.216 29.721 29.700 0.396 0.000 0.743 332 E HN 0.435 nan 8.360 nan 0.000 0.453 333 W N 2.373 123.840 121.300 0.278 0.000 2.355 333 W HA -0.180 4.480 4.660 -0.000 0.000 0.309 333 W C 1.020 177.672 176.519 0.221 0.000 1.206 333 W CA 1.449 58.944 57.345 0.249 0.000 1.284 333 W CB -0.118 29.463 29.460 0.202 0.000 1.145 333 W HN 0.042 nan 8.180 nan 0.000 0.502 334 D N -0.101 120.507 120.400 0.347 0.000 2.350 334 D HA -0.137 4.503 4.640 -0.000 0.000 0.216 334 D C 2.289 178.649 176.300 0.101 0.000 0.968 334 D CA 1.511 55.629 54.000 0.196 0.000 0.894 334 D CB -0.328 40.557 40.800 0.142 0.000 0.909 334 D HN 0.188 nan 8.370 nan 0.000 0.520 335 S N -0.742 115.019 115.700 0.101 0.000 2.522 335 S HA -0.026 4.444 4.470 -0.000 0.000 0.227 335 S C 0.663 175.131 174.600 -0.220 0.000 0.986 335 S CA -0.156 58.001 58.200 -0.070 0.000 0.929 335 S CB -0.214 62.900 63.200 -0.143 0.000 0.769 335 S HN -0.033 nan 8.310 nan 0.000 0.529 336 F N 1.661 121.533 119.950 -0.130 0.000 2.408 336 F HA 0.495 5.022 4.527 -0.000 0.000 0.325 336 F C 1.542 177.252 175.800 -0.149 0.000 1.082 336 F CA -0.987 56.912 58.000 -0.169 0.000 1.032 336 F CB 0.892 39.726 39.000 -0.277 0.000 1.259 336 F HN -0.044 nan 8.300 nan 0.000 0.503 337 N N 0.071 118.820 118.700 0.083 0.000 2.124 337 N HA -0.096 4.644 4.740 -0.000 0.000 0.189 337 N C -0.002 175.513 175.510 0.010 0.000 1.050 337 N CA 0.779 53.846 53.050 0.028 0.000 0.848 337 N CB 0.101 38.602 38.487 0.023 0.000 1.027 337 N HN 0.540 nan 8.380 nan 0.000 0.435 338 E N 0.921 121.118 120.200 -0.005 0.000 3.303 338 E HA 0.261 4.611 4.350 -0.000 0.000 0.215 338 E C -2.681 173.822 176.600 -0.162 0.000 1.181 338 E CA -2.268 54.107 56.400 -0.042 0.000 0.998 338 E CB 0.925 30.630 29.700 0.008 0.000 1.312 338 E HN 0.055 nan 8.360 nan 0.000 0.412 339 P HA -0.057 nan 4.420 nan 0.000 0.266 339 P C -0.993 175.857 177.300 -0.750 0.000 1.193 339 P CA 0.014 62.591 63.100 -0.871 0.000 0.770 339 P CB 0.864 31.517 31.700 -1.745 0.000 0.836 340 V N 1.538 121.032 119.914 -0.700 0.000 2.891 340 V HA 0.606 4.726 4.120 -0.000 0.000 0.304 340 V C -0.755 175.235 176.094 -0.173 0.000 1.171 340 V CA -0.714 61.375 62.300 -0.351 0.000 0.943 340 V CB 2.262 33.894 31.823 -0.318 0.000 1.037 340 V HN 0.632 nan 8.190 nan 0.000 0.427 341 A N 4.475 127.345 122.820 0.085 0.000 2.303 341 A HA 0.876 5.196 4.320 -0.000 0.000 0.320 341 A C -0.943 176.698 177.584 0.095 0.000 1.192 341 A CA -0.489 51.657 52.037 0.183 0.000 0.821 341 A CB 1.435 20.569 19.000 0.224 0.000 1.188 341 A HN 0.757 nan 8.150 nan 0.000 0.492 342 V N 2.441 122.468 119.914 0.188 0.000 2.459 342 V HA 0.448 4.568 4.120 -0.000 0.000 0.295 342 V C 0.302 176.501 176.094 0.176 0.000 1.029 342 V CA -0.430 61.992 62.300 0.203 0.000 0.874 342 V CB 1.724 33.786 31.823 0.397 0.000 0.985 342 V HN 0.917 nan 8.190 nan 0.000 0.438 343 S N 4.291 120.048 115.700 0.095 0.000 2.578 343 S HA 0.661 5.131 4.470 -0.000 0.000 0.283 343 S C -0.505 174.211 174.600 0.193 0.000 1.195 343 S CA -0.399 57.821 58.200 0.034 0.000 1.050 343 S CB 0.801 64.022 63.200 0.034 0.000 1.012 343 S HN 0.480 nan 8.310 nan 0.000 0.511 344 F N 1.294 121.387 119.950 0.238 0.000 2.411 344 F HA 0.319 4.846 4.527 -0.000 0.000 0.350 344 F C 0.597 176.488 175.800 0.152 0.000 1.114 344 F CA -0.633 57.487 58.000 0.199 0.000 1.135 344 F CB 0.781 39.895 39.000 0.191 0.000 1.120 344 F HN 0.492 nan 8.300 nan 0.000 0.495 345 D N 2.062 122.653 120.400 0.319 0.000 2.735 345 D HA 0.146 4.786 4.640 -0.000 0.000 0.291 345 D C -0.716 175.706 176.300 0.204 0.000 1.205 345 D CA -0.101 54.026 54.000 0.213 0.000 0.777 345 D CB 0.778 41.665 40.800 0.144 0.000 1.234 345 D HN 0.287 nan 8.370 nan 0.000 0.520 346 T N 0.866 115.575 114.554 0.258 0.000 2.913 346 T HA 0.168 4.518 4.350 -0.000 0.000 0.297 346 T C 0.269 175.095 174.700 0.210 0.000 1.029 346 T CA -0.298 61.961 62.100 0.265 0.000 1.104 346 T CB 1.244 70.383 68.868 0.451 0.000 0.964 346 T HN 0.117 nan 8.240 nan 0.000 0.532 347 K N 1.708 122.196 120.400 0.146 0.000 2.234 347 K HA 0.498 4.818 4.320 -0.000 0.000 0.282 347 K C 0.513 177.174 176.600 0.100 0.000 1.039 347 K CA -0.219 56.133 56.287 0.108 0.000 0.928 347 K CB 0.227 32.770 32.500 0.072 0.000 1.039 347 K HN 0.771 nan 8.250 nan 0.000 0.470 348 A N 5.765 128.649 122.820 0.107 0.000 2.364 348 A HA -0.177 4.143 4.320 -0.000 0.000 0.288 348 A C 1.154 178.801 177.584 0.104 0.000 1.433 348 A CA 1.042 53.137 52.037 0.097 0.000 0.757 348 A CB -1.939 17.089 19.000 0.046 0.000 1.098 348 A HN 1.105 nan 8.150 nan 0.000 0.380 349 W N 0.984 122.300 121.300 0.025 0.000 2.280 349 W HA -0.312 4.348 4.660 -0.000 0.000 0.332 349 W C 1.175 177.706 176.519 0.020 0.000 1.300 349 W CA 2.572 59.931 57.345 0.024 0.000 1.274 349 W CB -0.425 29.053 29.460 0.031 0.000 1.141 349 W HN 0.696 nan 8.180 nan 0.000 0.474 350 D N -0.604 119.892 120.400 0.160 0.000 2.221 350 D HA -0.145 4.495 4.640 -0.000 0.000 0.204 350 D C 2.074 178.337 176.300 -0.060 0.000 0.982 350 D CA 2.043 56.088 54.000 0.076 0.000 0.857 350 D CB -0.778 40.118 40.800 0.160 0.000 0.934 350 D HN 0.130 nan 8.370 nan 0.000 0.475 351 T N -0.052 114.468 114.554 -0.056 0.000 3.035 351 T HA -0.090 4.260 4.350 -0.000 0.000 0.268 351 T C 1.651 176.269 174.700 -0.137 0.000 1.109 351 T CA 0.828 62.887 62.100 -0.068 0.000 1.119 351 T CB 0.182 69.029 68.868 -0.035 0.000 0.900 351 T HN -0.015 nan 8.240 nan 0.000 0.503 352 Q N 0.097 119.746 119.800 -0.252 0.000 2.391 352 Q HA 0.221 4.561 4.340 -0.000 0.000 0.211 352 Q C 0.467 176.247 176.000 -0.367 0.000 0.908 352 Q CA 0.039 55.649 55.803 -0.322 0.000 0.920 352 Q CB 0.311 28.797 28.738 -0.419 0.000 1.056 352 Q HN 0.235 nan 8.270 nan 0.000 0.523 353 V N 2.090 121.749 119.914 -0.425 0.000 2.506 353 V HA -0.065 4.055 4.120 -0.000 0.000 0.296 353 V C 0.563 176.561 176.094 -0.160 0.000 1.004 353 V CA 0.618 62.736 62.300 -0.303 0.000 1.150 353 V CB 0.240 31.953 31.823 -0.184 0.000 0.911 353 V HN 0.177 nan 8.190 nan 0.000 0.476 354 T N 4.409 118.887 114.554 -0.127 0.000 2.899 354 T HA 0.145 4.495 4.350 -0.000 0.000 0.284 354 T C 1.418 176.071 174.700 -0.079 0.000 1.004 354 T CA -0.146 61.904 62.100 -0.083 0.000 1.043 354 T CB 1.493 70.333 68.868 -0.046 0.000 1.013 354 T HN 0.807 nan 8.240 nan 0.000 0.518 355 S N 1.478 117.129 115.700 -0.083 0.000 2.365 355 S HA -0.144 4.326 4.470 -0.000 0.000 0.225 355 S C 2.037 176.544 174.600 -0.154 0.000 1.039 355 S CA 1.367 59.511 58.200 -0.093 0.000 1.033 355 S CB -0.174 62.977 63.200 -0.082 0.000 0.887 355 S HN 0.579 nan 8.310 nan 0.000 0.447 356 K N 0.951 121.202 120.400 -0.248 0.000 2.057 356 K HA -0.115 4.205 4.320 -0.000 0.000 0.207 356 K C 1.694 177.999 176.600 -0.493 0.000 1.049 356 K CA 1.416 57.390 56.287 -0.522 0.000 0.931 356 K CB -0.304 31.620 32.500 -0.960 0.000 0.714 356 K HN 0.323 nan 8.250 nan 0.000 0.440 357 D N 1.192 121.485 120.400 -0.178 0.000 2.123 357 D HA -0.162 4.477 4.640 -0.000 0.000 0.196 357 D C 2.003 178.296 176.300 -0.011 0.000 0.992 357 D CA 1.082 55.128 54.000 0.077 0.000 0.833 357 D CB -0.149 40.694 40.800 0.071 0.000 0.954 357 D HN 0.160 nan 8.370 nan 0.000 0.455 358 L N 0.617 121.808 121.223 -0.053 0.000 2.056 358 L HA -0.176 4.164 4.340 -0.000 0.000 0.207 358 L C 2.628 179.454 176.870 -0.074 0.000 1.078 358 L CA 1.001 55.817 54.840 -0.040 0.000 0.749 358 L CB -0.299 41.736 42.059 -0.039 0.000 0.901 358 L HN -0.013 nan 8.230 nan 0.000 0.433 359 Q N -0.250 119.478 119.800 -0.119 0.000 2.135 359 Q HA -0.254 4.086 4.340 -0.000 0.000 0.204 359 Q C 2.330 178.258 176.000 -0.121 0.000 0.981 359 Q CA 1.406 57.133 55.803 -0.127 0.000 0.856 359 Q CB -0.226 28.417 28.738 -0.157 0.000 0.902 359 Q HN 0.524 nan 8.270 nan 0.000 0.425 360 L N 0.441 121.595 121.223 -0.114 0.000 2.012 360 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 360 L C 1.929 178.715 176.870 -0.140 0.000 1.073 360 L CA 1.129 55.917 54.840 -0.086 0.000 0.748 360 L CB -0.100 41.973 42.059 0.023 0.000 0.891 360 L HN 0.219 nan 8.230 nan 0.000 0.431 361 I N 0.399 120.910 120.570 -0.099 0.000 2.700 361 I HA -0.150 4.020 4.170 -0.000 0.000 0.261 361 I C 2.409 178.399 176.117 -0.212 0.000 1.219 361 I CA 1.173 62.398 61.300 -0.124 0.000 1.463 361 I CB -1.139 36.877 38.000 0.025 0.000 1.092 361 I HN 0.257 nan 8.210 nan 0.000 0.452 362 G N 0.104 108.805 108.800 -0.165 0.000 2.434 362 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.214 362 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.214 362 G C 1.524 176.304 174.900 -0.200 0.000 1.202 362 G CA 0.331 45.329 45.100 -0.170 0.000 0.788 362 G HN 0.307 nan 8.290 nan 0.000 0.539 363 E N 0.926 121.022 120.200 -0.173 0.000 2.048 363 E HA -0.172 4.178 4.350 -0.000 0.000 0.202 363 E C 2.576 179.039 176.600 -0.228 0.000 1.021 363 E CA 0.928 57.237 56.400 -0.151 0.000 0.825 363 E CB -0.629 29.000 29.700 -0.119 0.000 0.756 363 E HN 0.523 nan 8.360 nan 0.000 0.454 364 I N 1.077 121.394 120.570 -0.421 0.000 2.194 364 I HA -0.344 3.826 4.170 -0.000 0.000 0.246 364 I C 2.699 178.577 176.117 -0.397 0.000 1.093 364 I CA 1.467 62.358 61.300 -0.680 0.000 1.355 364 I CB -0.419 37.000 38.000 -0.967 0.000 1.046 364 I HN 0.161 nan 8.210 nan 0.000 0.413 365 Q N 0.651 120.158 119.800 -0.489 0.000 2.084 365 Q HA -0.221 4.119 4.340 -0.000 0.000 0.202 365 Q C 2.238 178.185 176.000 -0.088 0.000 0.978 365 Q CA 1.547 57.066 55.803 -0.473 0.000 0.844 365 Q CB -0.028 28.395 28.738 -0.525 0.000 0.898 365 Q HN 0.449 nan 8.270 nan 0.000 0.426 366 K N -0.447 119.854 120.400 -0.166 0.000 2.148 366 K HA -0.180 4.140 4.320 -0.000 0.000 0.204 366 K C 1.890 178.448 176.600 -0.069 0.000 1.050 366 K CA 1.050 57.156 56.287 -0.301 0.000 0.942 366 K CB -0.172 32.050 32.500 -0.462 0.000 0.724 366 K HN 0.237 nan 8.250 nan 0.000 0.446 367 Y N 0.258 120.490 120.300 -0.114 0.000 2.128 367 Y HA -0.298 4.252 4.550 -0.000 0.000 0.284 367 Y C 1.496 177.226 175.900 -0.283 0.000 1.154 367 Y CA 1.671 59.660 58.100 -0.184 0.000 1.149 367 Y CB -0.136 38.250 38.460 -0.124 0.000 0.976 367 Y HN 0.025 nan 8.280 nan 0.000 0.505 368 Y N -2.095 118.245 120.300 0.067 0.000 2.523 368 Y HA 0.057 4.607 4.550 -0.000 0.000 0.279 368 Y C -0.189 175.679 175.900 -0.052 0.000 1.139 368 Y CA -0.012 58.058 58.100 -0.049 0.000 1.296 368 Y CB -0.327 38.240 38.460 0.179 0.000 1.045 368 Y HN -0.023 nan 8.280 nan 0.000 0.538 369 Y N 1.188 121.660 120.300 0.287 0.000 2.342 369 Y HA 0.282 4.832 4.550 -0.000 0.000 0.334 369 Y C 0.430 176.654 175.900 0.540 0.000 1.067 369 Y CA -1.700 56.620 58.100 0.367 0.000 1.128 369 Y CB 0.756 39.345 38.460 0.216 0.000 1.200 369 Y HN -0.197 nan 8.280 nan 0.000 0.464 370 K N 2.894 123.594 120.400 0.499 0.000 2.527 370 K HA -0.064 4.256 4.320 -0.000 0.000 0.278 370 K C 0.775 177.520 176.600 0.242 0.000 0.981 370 K CA 0.218 56.695 56.287 0.316 0.000 1.009 370 K CB 0.529 33.158 32.500 0.215 0.000 0.895 370 K HN 0.687 nan 8.250 nan 0.000 0.493 371 K N 1.827 122.093 120.400 -0.223 0.000 2.360 371 K HA -0.205 4.115 4.320 -0.000 0.000 0.201 371 K C 1.144 177.569 176.600 -0.291 0.000 1.046 371 K CA 1.596 57.494 56.287 -0.649 0.000 0.940 371 K CB -0.065 32.066 32.500 -0.616 0.000 0.748 371 K HN 0.627 nan 8.250 nan 0.000 0.465 372 E N -0.888 119.173 120.200 -0.232 0.000 2.438 372 E HA -0.119 4.230 4.350 -0.000 0.000 0.192 372 E C 0.413 176.672 176.600 -0.569 0.000 1.110 372 E CA 0.212 56.356 56.400 -0.427 0.000 0.893 372 E CB -0.110 29.245 29.700 -0.575 0.000 0.990 372 E HN 0.454 nan 8.360 nan 0.000 0.490 373 W N -1.364 120.014 121.300 0.130 0.000 1.583 373 W HA 0.253 4.913 4.660 -0.000 0.000 0.214 373 W C 1.547 178.222 176.519 0.259 0.000 0.808 373 W CA -0.530 56.907 57.345 0.153 0.000 0.964 373 W CB 0.347 29.865 29.460 0.096 0.000 0.909 373 W HN 0.182 nan 8.180 nan 0.000 0.503 374 H N 0.579 119.814 119.070 0.274 0.000 2.421 374 H HA -0.119 4.437 4.556 -0.000 0.000 0.298 374 H C 1.967 177.396 175.328 0.169 0.000 1.087 374 H CA 1.197 57.360 56.048 0.193 0.000 1.330 374 H CB 0.340 30.177 29.762 0.124 0.000 1.388 374 H HN 0.110 nan 8.280 nan 0.000 0.526 375 K N 0.663 121.241 120.400 0.296 0.000 2.062 375 K HA -0.125 4.195 4.320 -0.000 0.000 0.205 375 K C 2.005 178.745 176.600 0.233 0.000 1.051 375 K CA 0.790 57.193 56.287 0.193 0.000 0.941 375 K CB -0.118 32.463 32.500 0.135 0.000 0.719 375 K HN 0.116 nan 8.250 nan 0.000 0.440 376 F N 1.719 121.771 119.950 0.171 0.000 2.027 376 F HA -0.328 4.199 4.527 -0.000 0.000 0.297 376 F C 1.894 177.710 175.800 0.027 0.000 1.129 376 F CA 1.747 59.838 58.000 0.151 0.000 1.195 376 F CB -0.240 38.955 39.000 0.326 0.000 0.960 376 F HN -0.043 nan 8.300 nan 0.000 0.485 377 I N 0.605 121.480 120.570 0.509 0.000 2.118 377 I HA -0.379 3.791 4.170 -0.000 0.000 0.241 377 I C 1.988 178.134 176.117 0.048 0.000 1.070 377 I CA 2.078 63.499 61.300 0.202 0.000 1.327 377 I CB -0.674 37.339 38.000 0.022 0.000 1.034 377 I HN 0.187 nan 8.210 nan 0.000 0.405 378 D N 0.005 120.435 120.400 0.050 0.000 2.190 378 D HA -0.166 4.473 4.640 -0.000 0.000 0.200 378 D C 2.138 178.393 176.300 -0.075 0.000 0.992 378 D CA 1.526 55.518 54.000 -0.013 0.000 0.854 378 D CB -0.088 40.722 40.800 0.016 0.000 0.936 378 D HN 0.303 nan 8.370 nan 0.000 0.462 379 T N 0.087 114.590 114.554 -0.084 0.000 2.668 379 T HA -0.045 4.305 4.350 -0.000 0.000 0.258 379 T C 2.036 176.594 174.700 -0.236 0.000 1.051 379 T CA 0.286 62.273 62.100 -0.188 0.000 1.155 379 T CB -0.347 68.422 68.868 -0.165 0.000 0.864 379 T HN 0.149 nan 8.240 nan 0.000 0.413 380 I N 0.973 121.413 120.570 -0.217 0.000 2.399 380 I HA -0.229 3.941 4.170 -0.000 0.000 0.254 380 I C 2.001 177.997 176.117 -0.202 0.000 1.146 380 I CA 1.225 62.382 61.300 -0.238 0.000 1.412 380 I CB -0.079 37.778 38.000 -0.237 0.000 1.076 380 I HN 0.286 nan 8.210 nan 0.000 0.432 381 T N -0.534 113.932 114.554 -0.147 0.000 2.978 381 T HA -0.129 4.221 4.350 -0.000 0.000 0.262 381 T C 1.387 176.011 174.700 -0.127 0.000 1.063 381 T CA 1.273 63.301 62.100 -0.120 0.000 1.140 381 T CB -0.107 68.703 68.868 -0.096 0.000 0.886 381 T HN 0.418 nan 8.240 nan 0.000 0.470 382 D N 0.665 120.964 120.400 -0.168 0.000 2.097 382 D HA -0.131 4.508 4.640 -0.000 0.000 0.197 382 D C 2.000 178.216 176.300 -0.141 0.000 0.984 382 D CA 1.018 54.915 54.000 -0.172 0.000 0.826 382 D CB -0.084 40.577 40.800 -0.233 0.000 0.973 382 D HN 0.324 nan 8.370 nan 0.000 0.460 383 H N -0.304 118.666 119.070 -0.166 0.000 2.387 383 H HA -0.066 4.490 4.556 -0.000 0.000 0.299 383 H C 1.983 177.242 175.328 -0.115 0.000 1.099 383 H CA 1.100 57.046 56.048 -0.170 0.000 1.315 383 H CB -0.270 29.250 29.762 -0.404 0.000 1.380 383 H HN 0.360 nan 8.280 nan 0.000 0.513 384 M N 0.031 119.602 119.600 -0.048 0.000 2.630 384 M HA -0.058 4.421 4.480 -0.000 0.000 0.254 384 M C 1.600 177.919 176.300 0.031 0.000 1.092 384 M CA 0.819 56.127 55.300 0.012 0.000 1.087 384 M CB -0.115 32.463 32.600 -0.037 0.000 1.453 384 M HN 0.075 nan 8.290 nan 0.000 0.509 385 T N -0.053 114.505 114.554 0.006 0.000 3.035 385 T HA -0.053 4.296 4.350 -0.000 0.000 0.268 385 T C 0.600 175.311 174.700 0.019 0.000 1.109 385 T CA 0.835 62.931 62.100 -0.006 0.000 1.119 385 T CB -0.080 68.769 68.868 -0.031 0.000 0.900 385 T HN 0.458 nan 8.240 nan 0.000 0.503 386 E N 0.854 121.086 120.200 0.054 0.000 2.565 386 E HA 0.346 4.696 4.350 -0.000 0.000 0.343 386 E C -1.845 174.816 176.600 0.101 0.000 0.968 386 E CA -0.220 56.217 56.400 0.061 0.000 0.773 386 E CB 1.214 30.941 29.700 0.045 0.000 1.513 386 E HN -0.046 nan 8.360 nan 0.000 0.384 387 V N 5.041 125.012 119.914 0.095 0.000 2.394 387 V HA 0.421 4.541 4.120 -0.000 0.000 0.282 387 V C -2.257 173.821 176.094 -0.026 0.000 1.031 387 V CA -1.931 60.421 62.300 0.088 0.000 0.881 387 V CB 1.546 33.430 31.823 0.101 0.000 0.982 387 V HN 0.570 nan 8.190 nan 0.000 0.451 388 P HA 0.299 nan 4.420 nan 0.000 0.287 388 P C -0.792 176.368 177.300 -0.234 0.000 1.307 388 P CA -0.099 62.922 63.100 -0.131 0.000 0.777 388 P CB 0.933 32.582 31.700 -0.085 0.000 0.883 389 V N 5.641 125.282 119.914 -0.455 0.000 2.547 389 V HA 0.418 4.538 4.120 -0.000 0.000 0.299 389 V C 0.365 176.100 176.094 -0.598 0.000 1.040 389 V CA -0.599 61.335 62.300 -0.610 0.000 0.913 389 V CB 1.747 32.916 31.823 -1.090 0.000 0.992 389 V HN 0.384 nan 8.190 nan 0.000 0.449 390 I N 3.866 124.190 120.570 -0.410 0.000 2.382 390 I HA 0.324 4.494 4.170 -0.000 0.000 0.285 390 I C 0.711 176.662 176.117 -0.278 0.000 1.007 390 I CA -0.313 60.721 61.300 -0.444 0.000 1.142 390 I CB 1.983 39.592 38.000 -0.651 0.000 1.289 390 I HN 0.772 nan 8.210 nan 0.000 0.453 391 T N 2.296 116.768 114.554 -0.137 0.000 2.813 391 T HA 0.325 4.675 4.350 -0.000 0.000 0.297 391 T C 1.316 176.123 174.700 0.177 0.000 1.036 391 T CA -0.082 62.119 62.100 0.168 0.000 1.044 391 T CB 1.660 70.709 68.868 0.301 0.000 0.993 391 T HN 0.625 nan 8.240 nan 0.000 0.535 392 A N 1.274 124.321 122.820 0.378 0.000 1.933 392 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 392 A C 2.069 179.885 177.584 0.387 0.000 1.175 392 A CA 1.615 53.888 52.037 0.393 0.000 0.628 392 A CB -0.921 18.215 19.000 0.227 0.000 0.814 392 A HN 1.000 nan 8.150 nan 0.000 0.444 393 D N -2.186 118.413 120.400 0.333 0.000 2.348 393 D HA 0.153 4.793 4.640 -0.000 0.000 0.216 393 D C 1.269 177.694 176.300 0.209 0.000 0.970 393 D CA 1.251 55.408 54.000 0.261 0.000 0.889 393 D CB -0.156 40.802 40.800 0.264 0.000 0.912 393 D HN 0.735 nan 8.370 nan 0.000 0.524 394 G N 0.368 109.240 108.800 0.121 0.000 2.316 394 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.203 394 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.203 394 G C 0.092 174.915 174.900 -0.129 0.000 0.999 394 G CA -0.364 44.701 45.100 -0.060 0.000 0.649 394 G HN 0.230 nan 8.290 nan 0.000 0.489 395 E N 0.669 120.858 120.200 -0.018 0.000 2.452 395 E HA 0.353 4.703 4.350 -0.000 0.000 0.261 395 E C 0.006 176.538 176.600 -0.112 0.000 0.987 395 E CA 0.262 56.632 56.400 -0.049 0.000 0.926 395 E CB 1.705 31.364 29.700 -0.070 0.000 0.934 395 E HN 0.249 nan 8.360 nan 0.000 0.452 396 V N 5.436 125.283 119.914 -0.112 0.000 2.384 396 V HA 0.305 4.425 4.120 -0.000 0.000 0.287 396 V C -0.622 175.438 176.094 -0.058 0.000 1.020 396 V CA -0.675 61.526 62.300 -0.166 0.000 0.850 396 V CB 0.517 32.225 31.823 -0.191 0.000 0.987 396 V HN 0.523 nan 8.190 nan 0.000 0.436 397 Y N 3.623 123.841 120.300 -0.136 0.000 2.602 397 Y HA 0.862 5.412 4.550 -0.000 0.000 0.342 397 Y C -0.904 174.947 175.900 -0.082 0.000 1.029 397 Y CA -1.856 56.178 58.100 -0.111 0.000 1.080 397 Y CB 1.445 39.829 38.460 -0.127 0.000 1.284 397 Y HN 0.343 nan 8.280 nan 0.000 0.485 398 I N 2.910 123.553 120.570 0.122 0.000 2.412 398 I HA 0.331 4.501 4.170 -0.000 0.000 0.279 398 I C -0.047 176.143 176.117 0.120 0.000 1.063 398 I CA -0.723 60.611 61.300 0.057 0.000 1.193 398 I CB 0.649 38.664 38.000 0.025 0.000 1.370 398 I HN 0.617 nan 8.210 nan 0.000 0.479 399 R N 4.791 125.380 120.500 0.148 0.000 2.401 399 R HA 0.175 4.515 4.340 -0.000 0.000 0.299 399 R C -0.117 176.227 176.300 0.073 0.000 1.064 399 R CA -0.158 56.034 56.100 0.154 0.000 1.000 399 R CB 0.404 30.812 30.300 0.180 0.000 0.973 399 R HN 0.442 nan 8.270 nan 0.000 0.438 400 N N 3.803 122.530 118.700 0.045 0.000 3.124 400 N HA 0.077 4.817 4.740 -0.000 0.000 0.284 400 N C -0.313 175.202 175.510 0.008 0.000 1.209 400 N CA 0.534 53.595 53.050 0.018 0.000 1.149 400 N CB 0.972 39.460 38.487 0.001 0.000 1.434 400 N HN 0.896 nan 8.380 nan 0.000 0.529 401 G N 1.498 110.310 108.800 0.020 0.000 2.697 401 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.181 401 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.181 401 G C -0.440 174.458 174.900 -0.004 0.000 0.306 401 G CA 0.016 45.122 45.100 0.010 0.000 1.011 401 G HN 0.573 nan 8.290 nan 0.000 0.465 402 Q N -0.111 119.695 119.800 0.011 0.000 2.833 402 Q HA 0.601 4.941 4.340 -0.000 0.000 0.340 402 Q C -0.250 175.766 176.000 0.027 0.000 0.800 402 Q CA -1.272 54.526 55.803 -0.007 0.000 0.821 402 Q CB 1.082 29.822 28.738 0.003 0.000 1.340 402 Q HN 0.617 nan 8.270 nan 0.000 0.515 403 R N 0.189 120.712 120.500 0.039 0.000 2.229 403 R HA 0.464 4.804 4.340 -0.000 0.000 0.332 403 R C -0.619 175.742 176.300 0.101 0.000 0.989 403 R CA 0.018 56.172 56.100 0.089 0.000 0.842 403 R CB 0.852 31.239 30.300 0.145 0.000 1.119 403 R HN 0.656 nan 8.270 nan 0.000 0.456 404 G N 2.684 111.547 108.800 0.105 0.000 2.444 404 G HA2 0.089 4.048 3.960 -0.000 0.000 0.303 404 G HA3 0.089 4.048 3.960 -0.000 0.000 0.303 404 G C 0.934 175.903 174.900 0.116 0.000 1.032 404 G CA 0.057 45.223 45.100 0.110 0.000 1.137 404 G HN 0.905 nan 8.290 nan 0.000 0.430 405 S N 2.000 117.771 115.700 0.117 0.000 2.434 405 S HA -0.188 4.282 4.470 -0.000 0.000 0.243 405 S C 2.246 176.897 174.600 0.086 0.000 1.045 405 S CA 1.946 60.205 58.200 0.098 0.000 1.019 405 S CB -0.303 62.953 63.200 0.093 0.000 0.811 405 S HN 0.740 nan 8.310 nan 0.000 0.485 406 G N 0.217 109.093 108.800 0.125 0.000 2.777 406 G HA2 0.167 4.127 3.960 -0.000 0.000 0.211 406 G HA3 0.167 4.127 3.960 -0.000 0.000 0.211 406 G C 0.453 175.422 174.900 0.115 0.000 1.149 406 G CA -0.377 44.804 45.100 0.135 0.000 0.785 406 G HN 0.629 nan 8.290 nan 0.000 0.536 407 Q N 0.399 120.263 119.800 0.107 0.000 2.349 407 Q HA 0.078 4.417 4.340 -0.000 0.000 0.287 407 Q C -1.501 174.531 176.000 0.053 0.000 1.044 407 Q CA -1.114 54.746 55.803 0.095 0.000 0.918 407 Q CB 1.108 29.906 28.738 0.100 0.000 1.242 407 Q HN 0.050 nan 8.270 nan 0.000 0.405 408 P HA -0.196 nan 4.420 nan 0.000 0.216 408 P C 0.406 177.689 177.300 -0.029 0.000 1.150 408 P CA 1.307 64.406 63.100 -0.001 0.000 0.837 408 P CB 0.251 31.953 31.700 0.005 0.000 0.786 409 D N -2.113 118.291 120.400 0.008 0.000 2.347 409 D HA -0.076 4.564 4.640 -0.000 0.000 0.215 409 D C 1.454 177.748 176.300 -0.011 0.000 0.976 409 D CA 0.768 54.773 54.000 0.010 0.000 0.884 409 D CB -0.569 40.294 40.800 0.105 0.000 0.915 409 D HN -0.044 nan 8.370 nan 0.000 0.526 410 T N -0.924 113.636 114.554 0.009 0.000 2.527 410 T HA -0.337 4.013 4.350 -0.000 0.000 0.258 410 T C 1.864 176.552 174.700 -0.020 0.000 1.175 410 T CA 2.123 64.237 62.100 0.023 0.000 1.168 410 T CB -0.943 67.938 68.868 0.022 0.000 0.860 410 T HN 0.202 nan 8.240 nan 0.000 0.429 411 S N 0.614 116.271 115.700 -0.071 0.000 2.378 411 S HA -0.186 4.284 4.470 -0.000 0.000 0.221 411 S C 2.350 176.877 174.600 -0.120 0.000 1.037 411 S CA 2.018 60.171 58.200 -0.078 0.000 1.069 411 S CB -0.846 62.314 63.200 -0.066 0.000 1.006 411 S HN 0.586 nan 8.310 nan 0.000 0.423 412 A N 1.008 123.636 122.820 -0.319 0.000 1.851 412 A HA 0.085 4.405 4.320 -0.000 0.000 0.216 412 A C 2.497 179.898 177.584 -0.306 0.000 1.195 412 A CA 2.121 53.776 52.037 -0.637 0.000 0.622 412 A CB -1.936 16.259 19.000 -1.342 0.000 0.831 412 A HN 0.748 nan 8.150 nan 0.000 0.444 413 G N 0.003 108.753 108.800 -0.082 0.000 2.556 413 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.220 413 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.220 413 G C 1.465 176.443 174.900 0.129 0.000 1.156 413 G CA 1.494 46.679 45.100 0.141 0.000 0.766 413 G HN 0.552 nan 8.290 nan 0.000 0.583 414 N N 0.495 119.241 118.700 0.075 0.000 2.092 414 N HA -0.042 4.698 4.740 -0.000 0.000 0.189 414 N C 2.665 178.109 175.510 -0.110 0.000 1.040 414 N CA 1.255 54.338 53.050 0.056 0.000 0.845 414 N CB -0.798 37.646 38.487 -0.072 0.000 1.017 414 N HN 0.230 nan 8.380 nan 0.000 0.426 415 S N 1.456 117.086 115.700 -0.117 0.000 2.378 415 S HA -0.248 4.221 4.470 -0.000 0.000 0.229 415 S C 1.895 176.471 174.600 -0.041 0.000 1.052 415 S CA 1.745 59.905 58.200 -0.067 0.000 1.084 415 S CB -0.355 62.920 63.200 0.125 0.000 0.950 415 S HN 0.307 nan 8.310 nan 0.000 0.440 416 M N 1.747 121.336 119.600 -0.018 0.000 2.200 416 M HA -0.066 4.414 4.480 -0.000 0.000 0.261 416 M C 1.938 178.273 176.300 0.057 0.000 1.074 416 M CA 1.573 56.903 55.300 0.050 0.000 1.098 416 M CB -1.176 31.525 32.600 0.168 0.000 1.268 416 M HN 0.271 nan 8.290 nan 0.000 0.432 417 L N 0.966 122.258 121.223 0.114 0.000 2.151 417 L HA -0.269 4.071 4.340 -0.000 0.000 0.215 417 L C 2.062 179.039 176.870 0.179 0.000 1.084 417 L CA 2.413 57.356 54.840 0.171 0.000 0.764 417 L CB -1.317 40.927 42.059 0.308 0.000 0.891 417 L HN 0.671 nan 8.230 nan 0.000 0.435 418 N N -0.528 118.192 118.700 0.034 0.000 2.109 418 N HA -0.158 4.582 4.740 -0.000 0.000 0.188 418 N C 2.000 177.413 175.510 -0.162 0.000 1.034 418 N CA 2.207 55.168 53.050 -0.148 0.000 0.846 418 N CB -0.474 37.703 38.487 -0.516 0.000 1.010 418 N HN 0.386 nan 8.380 nan 0.000 0.425 419 V N -0.075 119.759 119.914 -0.133 0.000 2.343 419 V HA -0.149 3.971 4.120 -0.000 0.000 0.247 419 V C 2.257 178.233 176.094 -0.197 0.000 1.051 419 V CA 1.532 63.729 62.300 -0.171 0.000 1.036 419 V CB -0.914 30.848 31.823 -0.102 0.000 0.654 419 V HN 0.262 nan 8.190 nan 0.000 0.451 420 L N 0.437 121.594 121.223 -0.110 0.000 2.012 420 L HA -0.148 4.191 4.340 -0.000 0.000 0.210 420 L C 2.903 179.707 176.870 -0.110 0.000 1.073 420 L CA 2.406 57.178 54.840 -0.114 0.000 0.748 420 L CB -1.331 40.694 42.059 -0.056 0.000 0.891 420 L HN 0.359 nan 8.230 nan 0.000 0.431 421 T N -0.561 113.957 114.554 -0.060 0.000 2.708 421 T HA -0.179 4.171 4.350 -0.000 0.000 0.266 421 T C 2.007 176.721 174.700 0.024 0.000 1.037 421 T CA 1.244 63.339 62.100 -0.008 0.000 1.146 421 T CB -0.109 68.795 68.868 0.060 0.000 0.865 421 T HN 0.098 nan 8.240 nan 0.000 0.435 422 M N 0.684 120.202 119.600 -0.137 0.000 2.065 422 M HA 0.016 4.496 4.480 -0.000 0.000 0.259 422 M C 2.366 178.565 176.300 -0.170 0.000 1.069 422 M CA 1.622 56.789 55.300 -0.223 0.000 1.110 422 M CB -1.203 30.958 32.600 -0.732 0.000 1.328 422 M HN 0.316 nan 8.290 nan 0.000 0.405 423 M N -1.571 117.828 119.600 -0.335 0.000 2.065 423 M HA -0.274 4.206 4.480 -0.000 0.000 0.259 423 M C 2.289 178.544 176.300 -0.075 0.000 1.069 423 M CA 1.990 56.994 55.300 -0.494 0.000 1.110 423 M CB -0.954 31.180 32.600 -0.778 0.000 1.328 423 M HN 0.214 nan 8.290 nan 0.000 0.405 424 Y N 1.068 121.262 120.300 -0.177 0.000 2.081 424 Y HA -0.331 4.219 4.550 -0.000 0.000 0.280 424 Y C 2.395 178.349 175.900 0.089 0.000 1.163 424 Y CA 2.036 60.090 58.100 -0.078 0.000 1.135 424 Y CB -0.575 37.802 38.460 -0.138 0.000 0.970 424 Y HN 0.188 nan 8.280 nan 0.000 0.498 425 A N 0.021 122.959 122.820 0.196 0.000 1.908 425 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 425 A C 2.222 179.913 177.584 0.178 0.000 1.181 425 A CA 1.646 53.799 52.037 0.195 0.000 0.627 425 A CB -1.609 17.638 19.000 0.412 0.000 0.818 425 A HN 0.686 nan 8.150 nan 0.000 0.445 426 F N 0.598 120.474 119.950 -0.123 0.000 2.046 426 F HA -0.289 4.238 4.527 -0.000 0.000 0.297 426 F C 2.589 178.370 175.800 -0.032 0.000 1.123 426 F CA 2.022 59.842 58.000 -0.300 0.000 1.199 426 F CB -0.764 38.019 39.000 -0.361 0.000 0.972 426 F HN 0.320 nan 8.300 nan 0.000 0.474 427 C N 0.914 120.387 119.300 0.289 0.000 2.398 427 C HA -0.204 4.256 4.460 -0.000 0.000 0.276 427 C C 2.587 177.566 174.990 -0.019 0.000 1.222 427 C CA 1.268 60.400 59.018 0.189 0.000 1.746 427 C CB -1.227 26.731 27.740 0.363 0.000 2.039 427 C HN 0.501 nan 8.230 nan 0.000 0.470 428 E N 0.864 121.003 120.200 -0.102 0.000 2.401 428 E HA -0.098 4.251 4.350 -0.000 0.000 0.199 428 E C 2.153 178.698 176.600 -0.092 0.000 1.023 428 E CA 0.903 57.205 56.400 -0.163 0.000 0.859 428 E CB -0.269 29.218 29.700 -0.356 0.000 0.780 428 E HN 0.646 nan 8.360 nan 0.000 0.523 429 S N -0.417 115.234 115.700 -0.082 0.000 2.468 429 S HA -0.040 4.430 4.470 -0.000 0.000 0.226 429 S C 2.096 176.614 174.600 -0.136 0.000 1.051 429 S CA 1.092 59.255 58.200 -0.062 0.000 0.943 429 S CB 0.271 63.498 63.200 0.044 0.000 0.810 429 S HN 0.470 nan 8.310 nan 0.000 0.509 430 T N -1.832 112.572 114.554 -0.250 0.000 3.004 430 T HA 0.463 4.813 4.350 -0.000 0.000 0.243 430 T C 1.626 176.247 174.700 -0.132 0.000 1.020 430 T CA 1.114 63.062 62.100 -0.253 0.000 1.145 430 T CB -0.025 68.557 68.868 -0.476 0.000 0.876 430 T HN 0.522 nan 8.240 nan 0.000 0.449 431 G N 0.575 109.314 108.800 -0.102 0.000 2.296 431 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.188 431 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.188 431 G C 0.048 174.927 174.900 -0.036 0.000 1.000 431 G CA -0.231 44.831 45.100 -0.063 0.000 0.672 431 G HN 0.651 nan 8.290 nan 0.000 0.483 432 V N 2.789 122.704 119.914 0.003 0.000 2.720 432 V HA 0.276 4.396 4.120 -0.000 0.000 0.307 432 V C -1.342 174.793 176.094 0.068 0.000 1.071 432 V CA -0.068 62.280 62.300 0.081 0.000 1.199 432 V CB 0.912 32.878 31.823 0.238 0.000 0.900 432 V HN 0.185 nan 8.190 nan 0.000 0.494 433 P HA 0.202 nan 4.420 nan 0.000 0.278 433 P C 0.027 177.392 177.300 0.108 0.000 1.238 433 P CA -0.299 62.774 63.100 -0.045 0.000 0.794 433 P CB 0.386 32.065 31.700 -0.034 0.000 0.955 434 Y N 1.772 122.132 120.300 0.099 0.000 2.151 434 Y HA -0.235 4.315 4.550 -0.000 0.000 0.284 434 Y C 2.045 178.012 175.900 0.111 0.000 1.166 434 Y CA 1.381 59.548 58.100 0.112 0.000 1.163 434 Y CB -1.344 37.165 38.460 0.081 0.000 0.974 434 Y HN 0.332 nan 8.280 nan 0.000 0.511 435 K N -0.451 120.081 120.400 0.220 0.000 2.362 435 K HA 0.031 4.351 4.320 -0.000 0.000 0.200 435 K C 1.386 178.059 176.600 0.122 0.000 1.046 435 K CA 1.058 57.428 56.287 0.139 0.000 0.952 435 K CB -0.570 31.979 32.500 0.082 0.000 0.753 435 K HN 0.185 nan 8.250 nan 0.000 0.466 436 S N 0.748 116.528 115.700 0.133 0.000 2.556 436 S HA 0.102 4.572 4.470 -0.000 0.000 0.216 436 S C 1.032 175.692 174.600 0.101 0.000 0.970 436 S CA -0.571 57.684 58.200 0.092 0.000 0.912 436 S CB -0.368 62.869 63.200 0.061 0.000 0.790 436 S HN 0.281 nan 8.310 nan 0.000 0.504 437 F N 3.722 123.700 119.950 0.047 0.000 2.043 437 F HA -0.134 4.393 4.527 -0.000 0.000 0.297 437 F C 1.985 177.749 175.800 -0.060 0.000 1.121 437 F CA 1.478 59.476 58.000 -0.004 0.000 1.199 437 F CB -0.292 38.692 39.000 -0.027 0.000 0.968 437 F HN 0.201 nan 8.300 nan 0.000 0.478 438 N N 0.323 119.063 118.700 0.067 0.000 2.626 438 N HA -0.111 4.629 4.740 -0.000 0.000 0.193 438 N C 1.361 176.808 175.510 -0.104 0.000 1.213 438 N CA 0.302 53.333 53.050 -0.031 0.000 0.914 438 N CB -0.096 38.441 38.487 0.084 0.000 0.994 438 N HN 0.309 nan 8.380 nan 0.000 0.447 439 R N -0.232 120.199 120.500 -0.116 0.000 2.237 439 R HA 0.071 4.411 4.340 -0.000 0.000 0.195 439 R C 1.672 177.901 176.300 -0.119 0.000 0.956 439 R CA 0.528 56.570 56.100 -0.096 0.000 1.029 439 R CB 0.197 30.468 30.300 -0.048 0.000 0.972 439 R HN 0.220 nan 8.270 nan 0.000 0.493 440 V N -4.196 115.625 119.914 -0.155 0.000 3.502 440 V HA 0.617 4.737 4.120 -0.000 0.000 0.288 440 V C 0.372 176.447 176.094 -0.031 0.000 1.461 440 V CA 0.113 62.381 62.300 -0.053 0.000 1.029 440 V CB 0.561 32.395 31.823 0.019 0.000 0.843 440 V HN 0.037 nan 8.190 nan 0.000 0.438 441 A N 0.363 122.971 122.820 -0.353 0.000 2.604 441 A HA 0.880 5.200 4.320 -0.000 0.000 0.295 441 A C -1.203 176.134 177.584 -0.412 0.000 1.067 441 A CA -0.773 50.997 52.037 -0.445 0.000 0.683 441 A CB 1.788 20.137 19.000 -1.086 0.000 1.281 441 A HN 0.123 nan 8.150 nan 0.000 0.407 442 R N 0.908 121.309 120.500 -0.165 0.000 2.494 442 R HA 0.596 4.936 4.340 -0.000 0.000 0.305 442 R C -1.036 175.144 176.300 -0.200 0.000 0.959 442 R CA -0.428 55.604 56.100 -0.114 0.000 0.864 442 R CB 1.611 31.916 30.300 0.008 0.000 1.159 442 R HN 0.805 nan 8.270 nan 0.000 0.446 443 I N 1.708 122.149 120.570 -0.215 0.000 2.707 443 I HA 0.413 4.583 4.170 -0.000 0.000 0.309 443 I C -0.755 174.924 176.117 -0.731 0.000 1.001 443 I CA -0.680 60.452 61.300 -0.281 0.000 1.129 443 I CB 1.448 39.455 38.000 0.012 0.000 1.308 443 I HN 0.493 nan 8.210 nan 0.000 0.466 444 H N 4.916 123.694 119.070 -0.487 0.000 2.947 444 H HA 0.498 5.054 4.556 -0.000 0.000 0.354 444 H C -1.505 173.639 175.328 -0.306 0.000 1.085 444 H CA -0.455 55.236 56.048 -0.595 0.000 1.253 444 H CB 2.244 31.221 29.762 -1.308 0.000 1.757 444 H HN 0.325 nan 8.280 nan 0.000 0.523 445 V N 2.417 122.407 119.914 0.127 0.000 2.623 445 V HA 0.169 4.289 4.120 -0.000 0.000 0.304 445 V C -0.524 175.707 176.094 0.229 0.000 1.054 445 V CA -0.433 62.025 62.300 0.262 0.000 0.882 445 V CB 2.086 34.001 31.823 0.153 0.000 1.002 445 V HN 0.936 nan 8.190 nan 0.000 0.424 446 c N 6.458 125.164 118.600 0.176 0.000 2.627 446 c HA 0.702 5.272 4.570 -0.000 0.000 0.369 446 c C 1.245 175.224 174.090 -0.185 0.000 1.246 446 c CA 0.462 56.685 56.329 -0.178 0.000 1.663 446 c CB -1.712 40.482 42.510 -0.527 0.000 1.778 446 c HN 1.424 nan 8.230 nan 0.000 0.516 447 G N 3.174 111.875 108.800 -0.166 0.000 2.588 447 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.273 447 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.273 447 G C 0.820 175.508 174.900 -0.352 0.000 1.211 447 G CA 0.590 45.560 45.100 -0.216 0.000 0.958 447 G HN 0.572 nan 8.290 nan 0.000 0.543 448 D N 1.526 121.662 120.400 -0.440 0.000 2.354 448 D HA 0.142 4.782 4.640 -0.000 0.000 0.209 448 D C 0.542 176.716 176.300 -0.210 0.000 1.015 448 D CA 0.926 54.513 54.000 -0.688 0.000 0.867 448 D CB 0.209 40.595 40.800 -0.690 0.000 0.933 448 D HN 0.558 nan 8.370 nan 0.000 0.520 449 D N -0.414 119.946 120.400 -0.066 0.000 2.225 449 D HA 0.517 5.157 4.640 -0.000 0.000 0.249 449 D C 0.077 176.554 176.300 0.294 0.000 1.052 449 D CA -0.181 53.883 54.000 0.106 0.000 0.909 449 D CB 1.520 42.324 40.800 0.007 0.000 1.186 449 D HN 0.175 nan 8.370 nan 0.000 0.431 450 G N 0.835 109.877 108.800 0.403 0.000 2.322 450 G HA2 0.443 4.403 3.960 -0.000 0.000 0.295 450 G HA3 0.443 4.403 3.960 -0.000 0.000 0.295 450 G C -1.609 173.001 174.900 -0.484 0.000 1.369 450 G CA -0.494 44.799 45.100 0.322 0.000 0.821 450 G HN 0.680 nan 8.290 nan 0.000 0.536 451 F N -1.465 117.918 119.950 -0.946 0.000 2.789 451 F HA 0.905 5.432 4.527 -0.000 0.000 0.319 451 F C -1.337 174.096 175.800 -0.612 0.000 1.168 451 F CA -1.433 55.924 58.000 -1.073 0.000 0.934 451 F CB 1.764 40.504 39.000 -0.433 0.000 1.375 451 F HN 0.846 nan 8.300 nan 0.000 0.480 452 L N 1.593 122.704 121.223 -0.186 0.000 2.434 452 L HA 0.768 5.108 4.340 -0.000 0.000 0.260 452 L C -2.024 174.895 176.870 0.081 0.000 0.983 452 L CA -0.802 53.994 54.840 -0.074 0.000 0.820 452 L CB 2.420 44.559 42.059 0.133 0.000 1.361 452 L HN 0.802 nan 8.230 nan 0.000 0.410 453 I N 2.811 123.357 120.570 -0.039 0.000 2.460 453 I HA 0.682 4.852 4.170 -0.000 0.000 0.298 453 I C -0.017 175.760 176.117 -0.567 0.000 0.989 453 I CA -0.290 60.895 61.300 -0.192 0.000 1.173 453 I CB 2.114 40.073 38.000 -0.067 0.000 1.338 453 I HN 0.812 nan 8.210 nan 0.000 0.456 454 T N 3.452 117.512 114.554 -0.824 0.000 2.677 454 T HA 0.169 4.519 4.350 -0.000 0.000 0.305 454 T C -1.476 172.875 174.700 -0.581 0.000 1.569 454 T CA -0.692 60.979 62.100 -0.715 0.000 0.984 454 T CB 1.320 70.114 68.868 -0.124 0.000 1.629 454 T HN 0.448 nan 8.240 nan 0.000 0.494 455 E N 1.861 121.988 120.200 -0.121 0.000 2.373 455 E HA 0.140 4.490 4.350 -0.000 0.000 0.267 455 E C 0.888 177.455 176.600 -0.055 0.000 1.032 455 E CA -0.174 56.206 56.400 -0.032 0.000 0.889 455 E CB 1.130 30.890 29.700 0.101 0.000 0.984 455 E HN 0.644 nan 8.360 nan 0.000 0.425 456 K N 2.378 122.736 120.400 -0.069 0.000 2.173 456 K HA -0.212 4.108 4.320 -0.000 0.000 0.207 456 K C 1.654 178.263 176.600 0.015 0.000 1.046 456 K CA 1.707 57.974 56.287 -0.035 0.000 0.929 456 K CB -0.297 32.212 32.500 0.016 0.000 0.720 456 K HN 0.618 nan 8.250 nan 0.000 0.453 457 G N 1.419 110.233 108.800 0.023 0.000 2.552 457 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.216 457 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.216 457 G C 1.446 176.359 174.900 0.022 0.000 1.240 457 G CA 1.098 46.214 45.100 0.027 0.000 0.796 457 G HN 0.262 nan 8.290 nan 0.000 0.568 458 L N 1.039 122.278 121.223 0.027 0.000 2.093 458 L HA 0.063 4.403 4.340 -0.000 0.000 0.208 458 L C 3.202 180.102 176.870 0.049 0.000 1.085 458 L CA 0.773 55.607 54.840 -0.010 0.000 0.755 458 L CB -0.833 41.256 42.059 0.049 0.000 0.904 458 L HN 0.342 nan 8.230 nan 0.000 0.435 459 G N 0.858 109.732 108.800 0.124 0.000 2.514 459 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.217 459 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.217 459 G C 1.597 176.596 174.900 0.165 0.000 1.198 459 G CA 0.955 46.171 45.100 0.194 0.000 0.780 459 G HN 0.261 nan 8.290 nan 0.000 0.565 460 L N 0.111 121.382 121.223 0.081 0.000 2.131 460 L HA -0.023 4.317 4.340 -0.000 0.000 0.210 460 L C 2.780 179.685 176.870 0.059 0.000 1.092 460 L CA 1.455 56.338 54.840 0.071 0.000 0.759 460 L CB -0.305 41.800 42.059 0.077 0.000 0.903 460 L HN 0.218 nan 8.230 nan 0.000 0.435 461 K N -0.107 120.320 120.400 0.045 0.000 2.057 461 K HA -0.227 4.093 4.320 -0.000 0.000 0.207 461 K C 2.159 178.795 176.600 0.060 0.000 1.049 461 K CA 1.468 57.765 56.287 0.016 0.000 0.931 461 K CB -0.137 32.339 32.500 -0.040 0.000 0.714 461 K HN 0.138 nan 8.250 nan 0.000 0.440 462 F N 1.101 120.997 119.950 -0.091 0.000 2.163 462 F HA 0.032 4.559 4.527 -0.000 0.000 0.297 462 F C 1.858 177.697 175.800 0.066 0.000 1.094 462 F CA 1.156 59.137 58.000 -0.031 0.000 1.290 462 F CB -0.724 38.313 39.000 0.061 0.000 1.017 462 F HN 0.033 nan 8.300 nan 0.000 0.483 463 A N 0.348 123.106 122.820 -0.103 0.000 2.019 463 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 463 A C 2.052 179.566 177.584 -0.116 0.000 1.164 463 A CA 1.845 53.762 52.037 -0.200 0.000 0.644 463 A CB -0.755 18.216 19.000 -0.049 0.000 0.805 463 A HN 0.606 nan 8.150 nan 0.000 0.449 464 N N -0.936 117.736 118.700 -0.046 0.000 2.508 464 N HA 0.004 4.744 4.740 -0.000 0.000 0.186 464 N C 1.310 176.810 175.510 -0.015 0.000 1.034 464 N CA 0.671 53.708 53.050 -0.021 0.000 0.885 464 N CB -0.009 38.480 38.487 0.003 0.000 1.135 464 N HN 0.430 nan 8.380 nan 0.000 0.435 465 K N 0.790 121.191 120.400 0.003 0.000 2.305 465 K HA 0.094 4.414 4.320 -0.000 0.000 0.199 465 K C 1.934 178.557 176.600 0.039 0.000 1.047 465 K CA 0.403 56.702 56.287 0.020 0.000 0.976 465 K CB 0.075 32.590 32.500 0.025 0.000 0.765 465 K HN 0.106 nan 8.250 nan 0.000 0.474 466 G N 1.739 110.554 108.800 0.024 0.000 2.448 466 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.219 466 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.219 466 G C 1.498 176.417 174.900 0.031 0.000 1.127 466 G CA 0.387 45.516 45.100 0.047 0.000 0.766 466 G HN 0.029 nan 8.290 nan 0.000 0.552 467 M N 0.211 119.805 119.600 -0.011 0.000 2.115 467 M HA -0.126 4.354 4.480 -0.000 0.000 0.258 467 M C 2.514 178.861 176.300 0.078 0.000 1.071 467 M CA 1.373 56.688 55.300 0.024 0.000 1.100 467 M CB -1.344 31.257 32.600 0.002 0.000 1.292 467 M HN 0.281 nan 8.290 nan 0.000 0.415 468 Q N 0.228 120.060 119.800 0.054 0.000 2.084 468 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 468 Q C 2.082 178.166 176.000 0.140 0.000 0.978 468 Q CA 1.407 57.252 55.803 0.069 0.000 0.844 468 Q CB -0.253 28.495 28.738 0.016 0.000 0.898 468 Q HN 0.561 nan 8.270 nan 0.000 0.426 469 I N 0.576 121.224 120.570 0.129 0.000 2.208 469 I HA -0.319 3.851 4.170 -0.000 0.000 0.245 469 I C 2.353 178.592 176.117 0.203 0.000 1.097 469 I CA 0.868 62.267 61.300 0.164 0.000 1.363 469 I CB -0.225 37.867 38.000 0.152 0.000 1.051 469 I HN 0.206 nan 8.210 nan 0.000 0.413 470 L N -0.248 121.091 121.223 0.194 0.000 2.141 470 L HA -0.246 4.094 4.340 -0.000 0.000 0.209 470 L C 2.733 179.687 176.870 0.140 0.000 1.094 470 L CA 1.092 56.039 54.840 0.178 0.000 0.763 470 L CB -0.767 41.395 42.059 0.172 0.000 0.908 470 L HN 0.423 nan 8.230 nan 0.000 0.437 471 H N 1.293 120.400 119.070 0.062 0.000 2.293 471 H HA -0.212 4.344 4.556 -0.000 0.000 0.300 471 H C 1.826 177.171 175.328 0.027 0.000 1.082 471 H CA 2.147 58.217 56.048 0.037 0.000 1.308 471 H CB 0.134 29.916 29.762 0.032 0.000 1.375 471 H HN 0.550 nan 8.280 nan 0.000 0.495 472 E N 0.075 120.379 120.200 0.173 0.000 2.418 472 E HA 0.027 4.377 4.350 -0.000 0.000 0.197 472 E C 1.844 178.450 176.600 0.010 0.000 1.026 472 E CA 0.595 57.047 56.400 0.086 0.000 0.862 472 E CB -0.017 29.773 29.700 0.149 0.000 0.799 472 E HN 0.419 nan 8.360 nan 0.000 0.518 473 A N 1.387 124.215 122.820 0.014 0.000 2.218 473 A HA 0.359 4.679 4.320 -0.000 0.000 0.209 473 A C 1.739 179.256 177.584 -0.111 0.000 1.168 473 A CA 0.485 52.490 52.037 -0.053 0.000 0.804 473 A CB -0.257 18.736 19.000 -0.011 0.000 0.834 473 A HN 0.458 nan 8.150 nan 0.000 0.482 474 G N -0.532 108.192 108.800 -0.127 0.000 2.165 474 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.226 474 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.226 474 G C -0.163 174.620 174.900 -0.196 0.000 1.035 474 G CA 0.217 45.211 45.100 -0.177 0.000 0.744 474 G HN 0.271 nan 8.290 nan 0.000 0.501 475 K N 0.150 120.472 120.400 -0.130 0.000 3.098 475 K HA 0.294 4.614 4.320 -0.000 0.000 0.170 475 K C -2.905 173.705 176.600 0.015 0.000 1.106 475 K CA -1.592 54.641 56.287 -0.091 0.000 0.864 475 K CB 1.967 34.461 32.500 -0.010 0.000 1.047 475 K HN 0.174 nan 8.250 nan 0.000 0.609 476 P HA -0.025 nan 4.420 nan 0.000 0.263 476 P C -0.151 177.212 177.300 0.105 0.000 1.195 476 P CA 0.264 63.402 63.100 0.063 0.000 0.762 476 P CB 0.539 32.257 31.700 0.030 0.000 0.799 477 Q N 2.691 122.567 119.800 0.126 0.000 2.299 477 Q HA 0.197 4.537 4.340 -0.000 0.000 0.246 477 Q C 0.134 176.194 176.000 0.099 0.000 0.935 477 Q CA -0.346 55.530 55.803 0.121 0.000 0.887 477 Q CB 0.876 29.678 28.738 0.108 0.000 1.223 477 Q HN 0.377 nan 8.270 nan 0.000 0.439 478 K N 1.515 121.971 120.400 0.094 0.000 2.416 478 K HA 0.111 4.431 4.320 -0.000 0.000 0.283 478 K C 0.071 176.706 176.600 0.058 0.000 1.037 478 K CA -0.156 56.175 56.287 0.073 0.000 0.995 478 K CB 0.289 32.831 32.500 0.069 0.000 0.938 478 K HN 0.397 nan 8.250 nan 0.000 0.475 479 I N 2.894 123.493 120.570 0.048 0.000 2.533 479 I HA -0.067 4.103 4.170 -0.000 0.000 0.284 479 I C 0.696 176.831 176.117 0.029 0.000 1.109 479 I CA 0.922 62.244 61.300 0.035 0.000 1.412 479 I CB 0.871 38.889 38.000 0.029 0.000 1.396 479 I HN 0.624 nan 8.210 nan 0.000 0.543 480 T N 3.480 118.049 114.554 0.025 0.000 2.938 480 T HA 0.270 4.620 4.350 -0.000 0.000 0.285 480 T C 1.012 175.722 174.700 0.016 0.000 1.028 480 T CA -0.425 61.688 62.100 0.021 0.000 1.005 480 T CB 1.316 70.198 68.868 0.023 0.000 1.157 480 T HN 0.740 nan 8.240 nan 0.000 0.550 481 E N 0.736 120.945 120.200 0.014 0.000 2.118 481 E HA -0.066 4.284 4.350 -0.000 0.000 0.195 481 E C 1.964 178.571 176.600 0.011 0.000 0.992 481 E CA 1.607 58.013 56.400 0.011 0.000 0.804 481 E CB -0.839 28.867 29.700 0.010 0.000 0.741 481 E HN 0.862 nan 8.360 nan 0.000 0.458 482 G N -0.047 108.762 108.800 0.014 0.000 2.470 482 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.220 482 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.220 482 G C 0.194 175.101 174.900 0.012 0.000 1.121 482 G CA 0.744 45.853 45.100 0.015 0.000 0.766 482 G HN 0.462 nan 8.290 nan 0.000 0.553 483 E N -1.137 119.070 120.200 0.011 0.000 2.553 483 E HA -0.191 4.159 4.350 -0.000 0.000 0.264 483 E C -0.043 176.558 176.600 0.002 0.000 1.068 483 E CA 0.963 57.367 56.400 0.006 0.000 0.774 483 E CB -1.306 28.395 29.700 0.001 0.000 1.349 483 E HN 0.819 nan 8.360 nan 0.000 0.404 484 K N -1.248 119.154 120.400 0.004 0.000 2.575 484 K HA 0.541 4.861 4.320 -0.000 0.000 0.279 484 K C -0.095 176.496 176.600 -0.014 0.000 0.969 484 K CA -1.106 55.174 56.287 -0.011 0.000 0.868 484 K CB 1.051 33.548 32.500 -0.006 0.000 1.457 484 K HN -0.094 nan 8.250 nan 0.000 0.426 485 M N 1.619 121.184 119.600 -0.058 0.000 2.234 485 M HA 0.002 4.482 4.480 -0.000 0.000 0.326 485 M C 0.378 176.671 176.300 -0.012 0.000 1.077 485 M CA 0.490 55.755 55.300 -0.060 0.000 1.052 485 M CB 0.071 32.546 32.600 -0.208 0.000 1.607 485 M HN 0.517 nan 8.290 nan 0.000 0.445 486 K N 2.265 122.676 120.400 0.018 0.000 2.339 486 K HA 0.344 4.664 4.320 -0.000 0.000 0.286 486 K C -1.441 175.171 176.600 0.021 0.000 1.050 486 K CA -0.233 56.072 56.287 0.029 0.000 0.956 486 K CB 0.586 33.102 32.500 0.026 0.000 0.990 486 K HN 0.481 nan 8.250 nan 0.000 0.475 487 V N 3.118 123.053 119.914 0.034 0.000 2.495 487 V HA 0.446 4.566 4.120 -0.000 0.000 0.298 487 V C -0.372 175.693 176.094 -0.048 0.000 1.031 487 V CA -1.017 61.252 62.300 -0.052 0.000 0.871 487 V CB 1.469 33.210 31.823 -0.137 0.000 0.988 487 V HN 0.882 nan 8.190 nan 0.000 0.432 488 A N 3.505 126.260 122.820 -0.108 0.000 2.253 488 A HA 0.653 4.973 4.320 -0.000 0.000 0.316 488 A C -0.306 177.282 177.584 0.007 0.000 1.327 488 A CA -0.278 51.737 52.037 -0.036 0.000 0.917 488 A CB 0.140 19.055 19.000 -0.141 0.000 1.162 488 A HN 0.820 nan 8.150 nan 0.000 0.535 489 Y N 1.491 121.860 120.300 0.114 0.000 2.482 489 Y HA 0.150 4.700 4.550 -0.000 0.000 0.270 489 Y C 1.066 177.118 175.900 0.252 0.000 1.152 489 Y CA 0.614 58.824 58.100 0.184 0.000 1.292 489 Y CB 0.244 38.765 38.460 0.101 0.000 1.070 489 Y HN 0.556 nan 8.280 nan 0.000 0.528 490 R N -0.952 119.691 120.500 0.237 0.000 2.621 490 R HA 0.190 4.530 4.340 -0.000 0.000 0.292 490 R C 0.179 176.313 176.300 -0.276 0.000 0.969 490 R CA -0.694 55.465 56.100 0.097 0.000 0.887 490 R CB 0.979 31.300 30.300 0.036 0.000 1.180 490 R HN 0.067 nan 8.270 nan 0.000 0.450 491 F N 3.183 122.701 119.950 -0.720 0.000 2.120 491 F HA -0.282 4.245 4.527 -0.000 0.000 0.300 491 F C 2.076 177.378 175.800 -0.831 0.000 1.095 491 F CA 2.358 59.587 58.000 -1.285 0.000 1.249 491 F CB 0.272 38.501 39.000 -1.285 0.000 0.995 491 F HN 0.702 nan 8.300 nan 0.000 0.480 492 E N -0.853 119.035 120.200 -0.520 0.000 2.267 492 E HA -0.240 4.110 4.350 -0.000 0.000 0.197 492 E C 1.450 177.726 176.600 -0.540 0.000 0.998 492 E CA 1.478 57.566 56.400 -0.520 0.000 0.830 492 E CB -0.593 28.958 29.700 -0.249 0.000 0.751 492 E HN 0.414 nan 8.360 nan 0.000 0.491 493 D N 1.123 121.251 120.400 -0.453 0.000 2.224 493 D HA 0.024 4.663 4.640 -0.000 0.000 0.205 493 D C 0.834 176.867 176.300 -0.445 0.000 0.965 493 D CA 0.335 54.129 54.000 -0.345 0.000 0.852 493 D CB -0.131 40.557 40.800 -0.187 0.000 0.947 493 D HN 0.244 nan 8.370 nan 0.000 0.494 494 I N 1.524 121.688 120.570 -0.677 0.000 2.989 494 I HA -0.188 3.982 4.170 -0.000 0.000 0.311 494 I C 0.704 176.461 176.117 -0.600 0.000 1.221 494 I CA 0.788 61.630 61.300 -0.764 0.000 1.449 494 I CB 0.208 37.515 38.000 -1.155 0.000 1.325 494 I HN -0.106 nan 8.210 nan 0.000 0.557 495 E N 6.289 126.232 120.200 -0.428 0.000 2.199 495 E HA 0.519 4.868 4.350 -0.000 0.000 0.265 495 E C -1.525 175.068 176.600 -0.011 0.000 0.882 495 E CA -0.566 55.723 56.400 -0.185 0.000 0.759 495 E CB 1.377 31.004 29.700 -0.122 0.000 1.148 495 E HN 0.349 nan 8.360 nan 0.000 0.412 496 F N 4.095 124.024 119.950 -0.034 0.000 2.596 496 F HA 0.264 4.791 4.527 -0.000 0.000 0.311 496 F C -0.619 175.224 175.800 0.072 0.000 1.116 496 F CA -1.338 56.702 58.000 0.067 0.000 0.957 496 F CB 1.049 40.156 39.000 0.178 0.000 1.250 496 F HN 0.680 nan 8.300 nan 0.000 0.444 497 c N 3.585 121.854 118.600 -0.553 0.000 3.592 497 c HA -0.133 4.437 4.570 -0.000 0.000 0.281 497 c C 1.167 175.123 174.090 -0.225 0.000 1.400 497 c CA 0.932 56.969 56.329 -0.488 0.000 2.104 497 c CB -3.381 38.728 42.510 -0.667 0.000 1.369 497 c HN 1.085 nan 8.230 nan 0.000 0.597 498 S N -0.836 114.751 115.700 -0.187 0.000 3.587 498 S HA -0.172 4.298 4.470 -0.000 0.000 0.337 498 S C -0.033 174.339 174.600 -0.381 0.000 1.119 498 S CA 1.539 59.585 58.200 -0.258 0.000 0.976 498 S CB -0.952 62.055 63.200 -0.322 0.000 0.922 498 S HN 0.937 nan 8.310 nan 0.000 0.503 499 H N -0.282 118.801 119.070 0.023 0.000 2.974 499 H HA 0.469 5.024 4.556 -0.000 0.000 0.366 499 H C 0.254 175.673 175.328 0.152 0.000 1.155 499 H CA 0.069 56.180 56.048 0.106 0.000 1.186 499 H CB 1.809 31.657 29.762 0.143 0.000 1.799 499 H HN 0.389 nan 8.280 nan 0.000 0.541 500 T N -0.263 114.355 114.554 0.106 0.000 2.949 500 T HA 0.522 4.872 4.350 -0.000 0.000 0.287 500 T C -2.851 171.523 174.700 -0.544 0.000 1.034 500 T CA -2.288 59.640 62.100 -0.287 0.000 1.018 500 T CB 2.514 71.182 68.868 -0.334 0.000 1.135 500 T HN 0.261 nan 8.240 nan 0.000 0.532 501 P HA 0.488 nan 4.420 nan 0.000 0.294 501 P C -1.126 175.883 177.300 -0.484 0.000 1.294 501 P CA -0.635 61.876 63.100 -0.981 0.000 0.827 501 P CB 1.438 32.235 31.700 -1.504 0.000 0.992 502 V N 5.344 125.045 119.914 -0.355 0.000 2.417 502 V HA 0.340 4.460 4.120 -0.000 0.000 0.291 502 V C -2.264 173.774 176.094 -0.093 0.000 1.024 502 V CA -2.303 59.785 62.300 -0.353 0.000 0.861 502 V CB 1.642 32.967 31.823 -0.830 0.000 0.985 502 V HN 0.477 nan 8.190 nan 0.000 0.436 503 P HA 0.326 nan 4.420 nan 0.000 0.276 503 P C -0.993 176.234 177.300 -0.123 0.000 1.235 503 P CA -0.061 63.006 63.100 -0.055 0.000 0.772 503 P CB 0.987 32.682 31.700 -0.009 0.000 0.871 504 V N 5.391 125.182 119.914 -0.205 0.000 2.531 504 V HA 0.397 4.517 4.120 -0.000 0.000 0.301 504 V C -0.113 175.751 176.094 -0.384 0.000 1.034 504 V CA -0.729 61.394 62.300 -0.296 0.000 0.865 504 V CB 2.003 33.594 31.823 -0.387 0.000 0.995 504 V HN 0.398 nan 8.190 nan 0.000 0.424 505 R N 3.268 123.566 120.500 -0.337 0.000 2.229 505 R HA 0.350 4.690 4.340 -0.000 0.000 0.332 505 R C -0.927 175.209 176.300 -0.274 0.000 0.989 505 R CA -0.300 55.671 56.100 -0.214 0.000 0.842 505 R CB 0.794 31.039 30.300 -0.092 0.000 1.119 505 R HN 0.640 nan 8.270 nan 0.000 0.456 506 W N 0.754 122.062 121.300 0.013 0.000 2.215 506 W HA 0.052 4.712 4.660 -0.000 0.000 0.342 506 W C 1.855 178.385 176.519 0.018 0.000 1.237 506 W CA -0.258 57.101 57.345 0.023 0.000 1.283 506 W CB 0.650 30.123 29.460 0.022 0.000 1.131 506 W HN 0.647 nan 8.180 nan 0.000 0.606 507 S N 0.002 115.896 115.700 0.323 0.000 2.420 507 S HA -0.286 4.184 4.470 -0.000 0.000 0.237 507 S C 0.980 175.663 174.600 0.138 0.000 1.023 507 S CA 1.754 60.060 58.200 0.176 0.000 0.991 507 S CB -0.507 62.786 63.200 0.155 0.000 0.792 507 S HN 0.606 nan 8.310 nan 0.000 0.488 508 D N 1.106 121.601 120.400 0.159 0.000 2.690 508 D HA 0.127 4.767 4.640 -0.000 0.000 0.236 508 D C 0.233 176.592 176.300 0.098 0.000 1.218 508 D CA -0.305 53.753 54.000 0.097 0.000 0.829 508 D CB -1.355 39.482 40.800 0.061 0.000 1.009 508 D HN 0.289 nan 8.370 nan 0.000 0.482 509 N N -0.292 118.472 118.700 0.106 0.000 2.717 509 N HA -0.196 4.544 4.740 -0.000 0.000 0.248 509 N C -0.047 175.520 175.510 0.096 0.000 1.099 509 N CA 1.606 54.706 53.050 0.084 0.000 0.843 509 N CB -1.649 36.870 38.487 0.053 0.000 1.155 509 N HN 0.696 nan 8.380 nan 0.000 0.580 510 T N -2.588 112.053 114.554 0.145 0.000 2.874 510 T HA 0.627 4.977 4.350 -0.000 0.000 0.281 510 T C 0.316 175.149 174.700 0.222 0.000 0.994 510 T CA -0.413 61.776 62.100 0.148 0.000 1.015 510 T CB 2.187 71.129 68.868 0.124 0.000 1.028 510 T HN 0.036 nan 8.240 nan 0.000 0.523 511 S N 0.721 116.516 115.700 0.158 0.000 2.538 511 S HA 0.751 5.221 4.470 -0.000 0.000 0.288 511 S C -0.520 174.123 174.600 0.072 0.000 1.108 511 S CA -0.911 57.344 58.200 0.092 0.000 0.971 511 S CB 1.758 64.927 63.200 -0.053 0.000 1.041 511 S HN 1.160 nan 8.310 nan 0.000 0.483 512 S N 1.392 117.134 115.700 0.070 0.000 2.732 512 S HA 0.737 5.207 4.470 -0.000 0.000 0.293 512 S C -1.542 172.964 174.600 -0.156 0.000 1.159 512 S CA -0.900 57.342 58.200 0.070 0.000 0.847 512 S CB 0.914 64.341 63.200 0.378 0.000 1.169 512 S HN 0.726 nan 8.310 nan 0.000 0.501 513 H N -0.124 119.042 119.070 0.160 0.000 2.547 513 H HA 0.603 5.159 4.556 -0.000 0.000 0.342 513 H C -0.328 175.101 175.328 0.168 0.000 1.048 513 H CA -0.576 55.549 56.048 0.129 0.000 1.204 513 H CB 1.439 31.313 29.762 0.185 0.000 1.493 513 H HN 0.473 nan 8.280 nan 0.000 0.511 514 M N 1.259 120.964 119.600 0.175 0.000 2.649 514 M HA 0.593 5.073 4.480 -0.000 0.000 0.294 514 M C 0.022 176.370 176.300 0.080 0.000 1.206 514 M CA -1.230 54.155 55.300 0.142 0.000 0.928 514 M CB 1.422 34.105 32.600 0.139 0.000 1.571 514 M HN 0.615 nan 8.290 nan 0.000 0.501 515 A N 0.732 123.592 122.820 0.067 0.000 2.276 515 A HA 0.672 4.992 4.320 -0.000 0.000 0.300 515 A C 0.082 177.656 177.584 -0.017 0.000 1.235 515 A CA -0.377 51.712 52.037 0.086 0.000 0.867 515 A CB -0.193 18.689 19.000 -0.197 0.000 1.137 515 A HN 0.894 nan 8.150 nan 0.000 0.527 516 G N 1.137 109.878 108.800 -0.099 0.000 2.509 516 G HA2 0.693 4.653 3.960 -0.000 0.000 0.328 516 G HA3 0.693 4.653 3.960 -0.000 0.000 0.328 516 G C -0.344 174.773 174.900 0.362 0.000 1.194 516 G CA -0.679 44.358 45.100 -0.106 0.000 0.967 516 G HN 0.859 nan 8.290 nan 0.000 0.488 517 R N -1.035 119.761 120.500 0.494 0.000 2.733 517 R HA 0.241 4.581 4.340 -0.000 0.000 0.272 517 R C -1.596 174.833 176.300 0.214 0.000 1.029 517 R CA -0.823 55.455 56.100 0.297 0.000 0.888 517 R CB 1.770 32.258 30.300 0.313 0.000 1.251 517 R HN 0.489 nan 8.270 nan 0.000 0.464 518 D N 0.811 121.246 120.400 0.059 0.000 2.425 518 D HA 0.040 4.680 4.640 -0.000 0.000 0.247 518 D C 0.637 176.915 176.300 -0.036 0.000 1.147 518 D CA 0.552 54.552 54.000 -0.001 0.000 0.879 518 D CB 1.627 42.391 40.800 -0.059 0.000 1.179 518 D HN 0.425 nan 8.370 nan 0.000 0.456 519 T N 1.851 116.364 114.554 -0.067 0.000 2.803 519 T HA -0.188 4.162 4.350 -0.000 0.000 0.269 519 T C 1.829 176.415 174.700 -0.190 0.000 1.052 519 T CA 1.430 63.437 62.100 -0.156 0.000 1.136 519 T CB 0.019 68.750 68.868 -0.229 0.000 0.864 519 T HN 0.527 nan 8.240 nan 0.000 0.467 520 A N 1.291 123.994 122.820 -0.196 0.000 1.859 520 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 520 A C 2.614 180.113 177.584 -0.141 0.000 1.198 520 A CA 1.934 53.863 52.037 -0.180 0.000 0.629 520 A CB -1.234 17.667 19.000 -0.165 0.000 0.830 520 A HN 0.361 nan 8.150 nan 0.000 0.446 521 V N 0.371 120.209 119.914 -0.127 0.000 2.287 521 V HA -0.312 3.808 4.120 -0.000 0.000 0.248 521 V C 2.457 178.501 176.094 -0.083 0.000 1.053 521 V CA 2.177 64.414 62.300 -0.105 0.000 1.027 521 V CB -0.835 30.931 31.823 -0.094 0.000 0.646 521 V HN 0.585 nan 8.190 nan 0.000 0.447 522 I N -0.419 120.073 120.570 -0.131 0.000 2.163 522 I HA -0.286 3.884 4.170 -0.000 0.000 0.243 522 I C 2.400 178.493 176.117 -0.040 0.000 1.085 522 I CA 1.718 62.925 61.300 -0.155 0.000 1.347 522 I CB -0.485 37.277 38.000 -0.396 0.000 1.044 522 I HN 0.250 nan 8.210 nan 0.000 0.408 523 L N -0.004 121.158 121.223 -0.102 0.000 2.042 523 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 523 L C 2.703 179.535 176.870 -0.063 0.000 1.076 523 L CA 1.281 56.062 54.840 -0.097 0.000 0.749 523 L CB -0.587 41.403 42.059 -0.115 0.000 0.893 523 L HN 0.204 nan 8.230 nan 0.000 0.432 524 S N -0.437 115.234 115.700 -0.048 0.000 2.382 524 S HA -0.139 4.330 4.470 -0.000 0.000 0.228 524 S C 1.867 176.492 174.600 0.041 0.000 1.027 524 S CA 1.156 59.348 58.200 -0.013 0.000 0.991 524 S CB -0.053 63.116 63.200 -0.053 0.000 0.823 524 S HN 0.391 nan 8.310 nan 0.000 0.469 525 K N 0.365 120.813 120.400 0.080 0.000 2.305 525 K HA 0.192 4.512 4.320 -0.000 0.000 0.199 525 K C 1.969 178.652 176.600 0.139 0.000 1.047 525 K CA 0.450 56.847 56.287 0.184 0.000 0.976 525 K CB -0.111 32.575 32.500 0.309 0.000 0.765 525 K HN 0.345 nan 8.250 nan 0.000 0.474 526 M N 0.228 119.774 119.600 -0.090 0.000 2.236 526 M HA -0.048 4.432 4.480 -0.000 0.000 0.266 526 M C 2.153 178.341 176.300 -0.186 0.000 1.070 526 M CA 1.024 56.031 55.300 -0.488 0.000 1.137 526 M CB 0.029 32.266 32.600 -0.605 0.000 1.378 526 M HN 0.166 nan 8.290 nan 0.000 0.426 527 A N -0.581 122.215 122.820 -0.040 0.000 1.930 527 A HA -0.084 4.235 4.320 -0.000 0.000 0.215 527 A C 1.955 179.689 177.584 0.250 0.000 1.176 527 A CA 1.752 53.845 52.037 0.094 0.000 0.632 527 A CB -0.755 18.276 19.000 0.052 0.000 0.819 527 A HN 0.540 nan 8.150 nan 0.000 0.445 528 T N -3.205 111.464 114.554 0.190 0.000 3.105 528 T HA 0.213 4.563 4.350 -0.000 0.000 0.253 528 T C 0.623 175.392 174.700 0.115 0.000 1.047 528 T CA -0.277 61.901 62.100 0.131 0.000 0.944 528 T CB -0.323 68.591 68.868 0.077 0.000 1.016 528 T HN 0.303 nan 8.240 nan 0.000 0.544 529 R N 2.022 122.614 120.500 0.154 0.000 2.296 529 R HA 0.373 4.713 4.340 -0.000 0.000 0.327 529 R C -0.439 176.027 176.300 0.276 0.000 1.137 529 R CA -0.649 55.579 56.100 0.212 0.000 1.020 529 R CB -0.001 30.461 30.300 0.271 0.000 1.110 529 R HN 0.206 nan 8.270 nan 0.000 0.499 530 L N 1.515 122.834 121.223 0.159 0.000 2.469 530 L HA 0.282 4.622 4.340 -0.000 0.000 0.253 530 L C 0.466 177.222 176.870 -0.189 0.000 1.143 530 L CA -0.264 54.597 54.840 0.035 0.000 0.804 530 L CB 0.456 42.495 42.059 -0.032 0.000 1.214 530 L HN 0.553 nan 8.230 nan 0.000 0.476 531 D N 0.199 120.230 120.400 -0.615 0.000 2.338 531 D HA -0.000 4.639 4.640 -0.000 0.000 0.255 531 D C 0.104 176.221 176.300 -0.305 0.000 1.237 531 D CA 0.208 53.766 54.000 -0.738 0.000 0.883 531 D CB 0.703 40.985 40.800 -0.864 0.000 1.087 531 D HN 0.331 nan 8.370 nan 0.000 0.485 532 S N 2.019 117.618 115.700 -0.169 0.000 3.305 532 S HA 0.002 4.472 4.470 -0.000 0.000 0.248 532 S C 1.216 175.728 174.600 -0.146 0.000 1.288 532 S CA 0.104 58.249 58.200 -0.092 0.000 1.249 532 S CB -0.327 62.882 63.200 0.015 0.000 1.116 532 S HN 0.541 nan 8.310 nan 0.000 0.465 533 S N -1.265 114.316 115.700 -0.199 0.000 2.679 533 S HA 0.447 4.917 4.470 -0.000 0.000 0.258 533 S C 1.349 175.865 174.600 -0.139 0.000 1.068 533 S CA 0.303 58.386 58.200 -0.195 0.000 1.115 533 S CB 0.431 63.446 63.200 -0.308 0.000 1.078 533 S HN 0.703 nan 8.310 nan 0.000 0.603 534 G N 1.784 110.501 108.800 -0.138 0.000 2.217 534 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.246 534 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.246 534 G C -0.082 174.763 174.900 -0.091 0.000 0.990 534 G CA 0.243 45.283 45.100 -0.101 0.000 0.627 534 G HN 0.806 nan 8.290 nan 0.000 0.522 535 E N 0.289 120.427 120.200 -0.104 0.000 2.438 535 E HA 0.301 4.651 4.350 -0.000 0.000 0.261 535 E C 1.726 178.288 176.600 -0.063 0.000 1.103 535 E CA 0.047 56.405 56.400 -0.070 0.000 0.959 535 E CB 0.375 30.041 29.700 -0.056 0.000 0.958 535 E HN 0.211 nan 8.360 nan 0.000 0.447 536 R N 2.477 122.961 120.500 -0.026 0.000 2.211 536 R HA -0.071 4.269 4.340 -0.000 0.000 0.240 536 R C 0.105 176.409 176.300 0.006 0.000 1.144 536 R CA 1.443 57.540 56.100 -0.004 0.000 0.992 536 R CB -1.002 29.309 30.300 0.019 0.000 0.869 536 R HN 0.697 nan 8.270 nan 0.000 0.462 537 G N 0.641 109.435 108.800 -0.011 0.000 3.421 537 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.656 537 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.656 537 G C 0.033 175.000 174.900 0.111 0.000 1.007 537 G CA 0.123 45.233 45.100 0.017 0.000 0.811 537 G HN 0.570 nan 8.290 nan 0.000 0.433 538 T N -0.525 114.108 114.554 0.131 0.000 2.833 538 T HA 0.649 4.999 4.350 -0.000 0.000 0.312 538 T C 1.983 176.769 174.700 0.142 0.000 1.085 538 T CA 0.917 63.087 62.100 0.117 0.000 0.955 538 T CB 0.563 69.483 68.868 0.087 0.000 1.353 538 T HN 1.163 nan 8.240 nan 0.000 0.544 539 T N -0.946 113.665 114.554 0.094 0.000 3.023 539 T HA 0.209 4.559 4.350 -0.000 0.000 0.266 539 T C 2.313 177.057 174.700 0.073 0.000 1.093 539 T CA 0.453 62.598 62.100 0.075 0.000 1.129 539 T CB -0.696 68.197 68.868 0.042 0.000 0.899 539 T HN 0.733 nan 8.240 nan 0.000 0.491 540 A N 1.042 123.906 122.820 0.075 0.000 1.902 540 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 540 A C 2.091 179.714 177.584 0.066 0.000 1.181 540 A CA 1.354 53.418 52.037 0.045 0.000 0.623 540 A CB -1.055 17.958 19.000 0.022 0.000 0.818 540 A HN 0.513 nan 8.150 nan 0.000 0.443 541 Y N 0.805 121.120 120.300 0.024 0.000 2.092 541 Y HA -0.178 4.372 4.550 -0.000 0.000 0.282 541 Y C 2.345 178.283 175.900 0.063 0.000 1.126 541 Y CA 2.118 60.245 58.100 0.045 0.000 1.111 541 Y CB -0.546 37.951 38.460 0.062 0.000 0.987 541 Y HN 0.454 nan 8.280 nan 0.000 0.489 542 E N 0.129 120.324 120.200 -0.008 0.000 2.147 542 E HA -0.290 4.060 4.350 -0.000 0.000 0.199 542 E C 2.169 178.723 176.600 -0.077 0.000 1.005 542 E CA 1.700 58.054 56.400 -0.077 0.000 0.810 542 E CB -0.226 29.502 29.700 0.046 0.000 0.736 542 E HN 0.486 nan 8.360 nan 0.000 0.460 543 K N 0.152 120.550 120.400 -0.003 0.000 2.097 543 K HA -0.061 4.259 4.320 -0.000 0.000 0.205 543 K C 2.074 178.757 176.600 0.138 0.000 1.050 543 K CA 0.894 57.229 56.287 0.081 0.000 0.938 543 K CB -0.019 32.551 32.500 0.116 0.000 0.718 543 K HN 0.045 nan 8.250 nan 0.000 0.442 544 A N 0.479 123.314 122.820 0.025 0.000 2.066 544 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 544 A C 2.110 179.756 177.584 0.103 0.000 1.157 544 A CA 1.000 53.091 52.037 0.090 0.000 0.670 544 A CB -0.186 18.803 19.000 -0.019 0.000 0.804 544 A HN 0.074 nan 8.150 nan 0.000 0.453 545 V N -0.489 119.360 119.914 -0.108 0.000 2.488 545 V HA -0.124 3.996 4.120 -0.000 0.000 0.246 545 V C 2.986 179.151 176.094 0.119 0.000 1.046 545 V CA 1.542 63.807 62.300 -0.058 0.000 1.053 545 V CB -0.983 30.659 31.823 -0.302 0.000 0.679 545 V HN 0.566 nan 8.190 nan 0.000 0.458 546 A N -0.119 122.747 122.820 0.076 0.000 1.902 546 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 546 A C 2.107 179.851 177.584 0.268 0.000 1.181 546 A CA 2.007 54.117 52.037 0.122 0.000 0.623 546 A CB -0.681 18.373 19.000 0.090 0.000 0.818 546 A HN 0.518 nan 8.150 nan 0.000 0.443 547 F N 1.296 121.362 119.950 0.193 0.000 2.146 547 F HA -0.106 4.421 4.527 -0.000 0.000 0.298 547 F C 2.506 178.445 175.800 0.231 0.000 1.096 547 F CA 1.688 59.823 58.000 0.225 0.000 1.275 547 F CB -0.567 38.665 39.000 0.386 0.000 1.008 547 F HN 0.185 nan 8.300 nan 0.000 0.480 548 S N 0.119 115.936 115.700 0.194 0.000 2.370 548 S HA -0.180 4.290 4.470 -0.000 0.000 0.226 548 S C 1.822 176.505 174.600 0.138 0.000 1.033 548 S CA 1.460 59.754 58.200 0.156 0.000 1.011 548 S CB -0.702 62.732 63.200 0.390 0.000 0.852 548 S HN 0.364 nan 8.310 nan 0.000 0.457 549 F N 1.192 121.187 119.950 0.075 0.000 2.502 549 F HA 0.156 4.683 4.527 -0.000 0.000 0.298 549 F C 1.872 177.728 175.800 0.093 0.000 1.111 549 F CA 0.099 58.199 58.000 0.166 0.000 1.445 549 F CB -0.342 38.763 39.000 0.175 0.000 1.081 549 F HN 0.159 nan 8.300 nan 0.000 0.558 550 L N -0.592 120.721 121.223 0.151 0.000 2.044 550 L HA -0.154 4.185 4.340 -0.000 0.000 0.205 550 L C 2.018 178.898 176.870 0.017 0.000 1.075 550 L CA 1.244 56.140 54.840 0.095 0.000 0.747 550 L CB -0.488 41.638 42.059 0.111 0.000 0.903 550 L HN 0.121 nan 8.230 nan 0.000 0.435 551 L N -0.896 120.173 121.223 -0.257 0.000 2.633 551 L HA -0.174 4.166 4.340 -0.000 0.000 0.235 551 L C 2.060 178.756 176.870 -0.290 0.000 1.163 551 L CA 0.496 55.057 54.840 -0.465 0.000 0.859 551 L CB -0.124 41.422 42.059 -0.855 0.000 0.973 551 L HN 0.410 nan 8.230 nan 0.000 0.451 552 M N -2.372 117.099 119.600 -0.214 0.000 2.379 552 M HA 0.106 4.586 4.480 -0.000 0.000 0.268 552 M C 0.361 176.323 176.300 -0.563 0.000 1.185 552 M CA 0.792 55.858 55.300 -0.390 0.000 1.121 552 M CB 0.902 33.129 32.600 -0.622 0.000 1.608 552 M HN 0.098 nan 8.290 nan 0.000 0.569 553 Y N -0.475 119.827 120.300 0.003 0.000 2.738 553 Y HA 0.168 4.718 4.550 -0.000 0.000 0.249 553 Y C 1.773 177.347 175.900 -0.544 0.000 1.153 553 Y CA -0.101 57.789 58.100 -0.349 0.000 1.165 553 Y CB -0.103 38.145 38.460 -0.352 0.000 1.235 553 Y HN 0.161 nan 8.280 nan 0.000 0.559 554 S N -0.171 115.507 115.700 -0.037 0.000 2.493 554 S HA -0.194 4.276 4.470 -0.000 0.000 0.243 554 S C 1.530 176.120 174.600 -0.016 0.000 0.991 554 S CA 1.121 59.336 58.200 0.026 0.000 0.957 554 S CB -0.725 62.636 63.200 0.267 0.000 0.756 554 S HN 0.767 nan 8.310 nan 0.000 0.521 555 W N 1.774 123.136 121.300 0.103 0.000 2.595 555 W HA 0.242 4.902 4.660 -0.000 0.000 0.257 555 W C 0.422 176.975 176.519 0.056 0.000 1.267 555 W CA -0.000 57.370 57.345 0.042 0.000 1.300 555 W CB -1.013 28.474 29.460 0.046 0.000 1.120 555 W HN 0.329 nan 8.180 nan 0.000 0.618 556 N N 2.603 120.900 118.700 -0.671 0.000 2.420 556 N HA 0.139 4.879 4.740 -0.000 0.000 0.249 556 N C -1.864 173.508 175.510 -0.230 0.000 1.033 556 N CA -1.405 51.300 53.050 -0.575 0.000 0.944 556 N CB 1.683 39.521 38.487 -1.082 0.000 1.113 556 N HN -0.373 nan 8.380 nan 0.000 0.502 557 P HA -0.237 nan 4.420 nan 0.000 0.214 557 P C 1.421 178.705 177.300 -0.026 0.000 1.163 557 P CA 0.920 64.007 63.100 -0.022 0.000 0.889 557 P CB 0.292 32.012 31.700 0.035 0.000 0.790 558 L N -0.596 120.625 121.223 -0.004 0.000 1.970 558 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 558 L C 2.223 179.072 176.870 -0.034 0.000 1.071 558 L CA 1.895 56.746 54.840 0.019 0.000 0.751 558 L CB -0.827 41.281 42.059 0.082 0.000 0.889 558 L HN -0.146 nan 8.230 nan 0.000 0.432 559 V N -0.207 119.650 119.914 -0.095 0.000 2.332 559 V HA -0.345 3.775 4.120 -0.000 0.000 0.248 559 V C 2.634 178.696 176.094 -0.054 0.000 1.055 559 V CA 2.278 64.522 62.300 -0.094 0.000 1.038 559 V CB -0.917 30.810 31.823 -0.160 0.000 0.651 559 V HN 0.516 nan 8.190 nan 0.000 0.450 560 R N 0.200 120.654 120.500 -0.075 0.000 2.073 560 R HA -0.165 4.175 4.340 -0.000 0.000 0.234 560 R C 2.543 178.822 176.300 -0.035 0.000 1.134 560 R CA 1.747 57.819 56.100 -0.047 0.000 0.952 560 R CB -0.189 30.072 30.300 -0.065 0.000 0.850 560 R HN 0.424 nan 8.270 nan 0.000 0.433 561 R N -0.075 120.404 120.500 -0.036 0.000 2.148 561 R HA -0.006 4.334 4.340 -0.000 0.000 0.227 561 R C 2.221 178.503 176.300 -0.031 0.000 1.103 561 R CA 1.168 57.249 56.100 -0.032 0.000 0.983 561 R CB -0.098 30.190 30.300 -0.021 0.000 0.874 561 R HN 0.337 nan 8.270 nan 0.000 0.451 562 I N -0.380 120.173 120.570 -0.029 0.000 2.406 562 I HA -0.254 3.915 4.170 -0.000 0.000 0.249 562 I C 2.037 178.136 176.117 -0.030 0.000 1.122 562 I CA 0.696 61.976 61.300 -0.033 0.000 1.431 562 I CB -0.160 37.815 38.000 -0.041 0.000 1.087 562 I HN 0.239 nan 8.210 nan 0.000 0.424 563 C N 0.730 120.021 119.300 -0.014 0.000 2.440 563 C HA -0.097 4.363 4.460 -0.000 0.000 0.278 563 C C 2.697 177.691 174.990 0.006 0.000 1.295 563 C CA 0.490 59.517 59.018 0.016 0.000 1.738 563 C CB -0.948 26.830 27.740 0.064 0.000 1.987 563 C HN 0.445 nan 8.230 nan 0.000 0.492 564 L N 0.236 121.446 121.223 -0.021 0.000 2.093 564 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 564 L C 2.529 179.367 176.870 -0.053 0.000 1.085 564 L CA 1.278 56.088 54.840 -0.050 0.000 0.755 564 L CB -0.617 41.398 42.059 -0.073 0.000 0.904 564 L HN 0.378 nan 8.230 nan 0.000 0.435 565 L N -0.810 120.384 121.223 -0.049 0.000 2.046 565 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 565 L C 2.486 179.329 176.870 -0.045 0.000 1.077 565 L CA 0.863 55.669 54.840 -0.057 0.000 0.747 565 L CB -0.544 41.482 42.059 -0.055 0.000 0.896 565 L HN 0.061 nan 8.230 nan 0.000 0.432 566 V N -0.088 119.809 119.914 -0.028 0.000 2.626 566 V HA -0.235 3.884 4.120 -0.000 0.000 0.252 566 V C 2.144 178.243 176.094 0.008 0.000 1.067 566 V CA 1.325 63.617 62.300 -0.013 0.000 1.081 566 V CB -0.373 31.446 31.823 -0.006 0.000 0.686 566 V HN 0.381 nan 8.190 nan 0.000 0.468 567 L N -0.655 120.571 121.223 0.006 0.000 2.554 567 L HA 0.023 4.363 4.340 -0.000 0.000 0.226 567 L C 2.343 179.207 176.870 -0.010 0.000 1.137 567 L CA 0.440 55.289 54.840 0.015 0.000 0.863 567 L CB -0.223 41.830 42.059 -0.009 0.000 0.985 567 L HN 0.249 nan 8.230 nan 0.000 0.451 568 S N -0.987 114.694 115.700 -0.030 0.000 2.395 568 S HA -0.049 4.421 4.470 -0.000 0.000 0.225 568 S C 0.790 175.379 174.600 -0.017 0.000 1.027 568 S CA 0.478 58.657 58.200 -0.035 0.000 0.965 568 S CB -0.072 63.078 63.200 -0.085 0.000 0.812 568 S HN 0.431 nan 8.310 nan 0.000 0.482 569 Q N 1.424 121.211 119.800 -0.021 0.000 2.300 569 Q HA 0.124 4.464 4.340 -0.000 0.000 0.280 569 Q C -0.494 175.516 176.000 0.018 0.000 1.033 569 Q CA 0.122 55.917 55.803 -0.013 0.000 0.903 569 Q CB 0.027 28.752 28.738 -0.022 0.000 1.195 569 Q HN 0.298 nan 8.270 nan 0.000 0.386 570 Q N 1.244 121.057 119.800 0.021 0.000 2.434 570 Q HA -0.207 4.133 4.340 -0.000 0.000 0.366 570 Q C -1.962 174.073 176.000 0.059 0.000 1.398 570 Q CA -0.295 55.531 55.803 0.037 0.000 1.074 570 Q CB -0.763 27.994 28.738 0.031 0.000 1.236 570 Q HN 0.554 nan 8.270 nan 0.000 0.329 571 P HA -0.168 nan 4.420 nan 0.000 0.225 571 P C 0.601 177.957 177.300 0.093 0.000 1.148 571 P CA 0.998 64.152 63.100 0.091 0.000 0.779 571 P CB 0.287 32.055 31.700 0.114 0.000 0.780 572 E N -1.040 119.207 120.200 0.077 0.000 2.140 572 E HA -0.028 4.321 4.350 -0.000 0.000 0.191 572 E C 0.901 177.538 176.600 0.062 0.000 0.973 572 E CA 0.597 57.038 56.400 0.068 0.000 0.829 572 E CB -0.454 29.278 29.700 0.053 0.000 0.781 572 E HN 0.229 nan 8.360 nan 0.000 0.466 573 T N 1.344 115.930 114.554 0.053 0.000 2.902 573 T HA -0.019 4.331 4.350 -0.000 0.000 0.301 573 T C 0.147 174.869 174.700 0.036 0.000 1.012 573 T CA -0.603 61.518 62.100 0.035 0.000 1.151 573 T CB 0.569 69.454 68.868 0.029 0.000 0.946 573 T HN -0.187 nan 8.240 nan 0.000 0.542 574 D N 5.078 125.476 120.400 -0.002 0.000 2.363 574 D HA 0.268 4.908 4.640 -0.000 0.000 0.240 574 D C -1.727 174.500 176.300 -0.122 0.000 1.236 574 D CA -0.982 52.984 54.000 -0.056 0.000 0.927 574 D CB 0.486 41.230 40.800 -0.094 0.000 1.150 574 D HN 0.538 nan 8.370 nan 0.000 0.458 575 P HA 0.103 nan 4.420 nan 0.000 0.280 575 P C -0.467 176.679 177.300 -0.257 0.000 1.272 575 P CA -0.500 62.417 63.100 -0.305 0.000 0.819 575 P CB 1.060 32.324 31.700 -0.726 0.000 1.122 576 S N -0.034 115.570 115.700 -0.158 0.000 2.603 576 S HA 0.154 4.624 4.470 -0.000 0.000 0.268 576 S C 0.784 175.224 174.600 -0.266 0.000 1.317 576 S CA -0.425 57.670 58.200 -0.175 0.000 1.012 576 S CB -0.050 63.174 63.200 0.040 0.000 0.926 576 S HN 0.311 nan 8.310 nan 0.000 0.539 577 K N 1.480 121.597 120.400 -0.471 0.000 2.397 577 K HA 0.143 4.463 4.320 -0.000 0.000 0.202 577 K C -0.151 176.386 176.600 -0.106 0.000 1.022 577 K CA -0.127 55.892 56.287 -0.446 0.000 1.141 577 K CB 0.069 32.158 32.500 -0.684 0.000 0.857 577 K HN 0.551 nan 8.250 nan 0.000 0.514 578 H N 0.191 119.316 119.070 0.091 0.000 2.605 578 H HA 0.325 4.881 4.556 -0.000 0.000 0.308 578 H C 0.229 175.661 175.328 0.173 0.000 1.080 578 H CA -0.281 55.852 56.048 0.143 0.000 1.119 578 H CB 0.101 29.954 29.762 0.153 0.000 1.479 578 H HN 0.206 nan 8.280 nan 0.000 0.537 579 A N -0.318 122.598 122.820 0.160 0.000 2.470 579 A HA 0.421 4.741 4.320 -0.000 0.000 0.271 579 A C 1.375 178.903 177.584 -0.093 0.000 1.269 579 A CA -0.282 51.736 52.037 -0.030 0.000 0.828 579 A CB 0.381 19.369 19.000 -0.020 0.000 1.374 579 A HN 0.154 nan 8.150 nan 0.000 0.454 580 T N -0.573 113.904 114.554 -0.128 0.000 2.833 580 T HA 0.063 4.413 4.350 -0.000 0.000 0.269 580 T C -0.310 174.117 174.700 -0.456 0.000 1.054 580 T CA 1.914 63.853 62.100 -0.270 0.000 1.135 580 T CB -0.531 68.247 68.868 -0.150 0.000 0.869 580 T HN 0.482 nan 8.240 nan 0.000 0.466 581 Y N -0.772 119.596 120.300 0.113 0.000 2.624 581 Y HA 0.524 5.074 4.550 -0.000 0.000 0.334 581 Y C -0.868 175.250 175.900 0.363 0.000 1.155 581 Y CA -2.373 55.829 58.100 0.171 0.000 1.046 581 Y CB 1.260 39.808 38.460 0.146 0.000 1.316 581 Y HN 0.174 nan 8.280 nan 0.000 0.457 582 Y N -0.761 119.811 120.300 0.454 0.000 2.638 582 Y HA 0.852 5.402 4.550 -0.000 0.000 0.339 582 Y C -1.672 174.272 175.900 0.074 0.000 1.084 582 Y CA -2.236 55.961 58.100 0.162 0.000 1.068 582 Y CB 1.398 39.815 38.460 -0.071 0.000 1.294 582 Y HN 0.510 nan 8.280 nan 0.000 0.480 583 Y N -0.744 119.535 120.300 -0.035 0.000 2.462 583 Y HA 0.727 5.277 4.550 -0.000 0.000 0.346 583 Y C -1.126 174.785 175.900 0.018 0.000 0.976 583 Y CA -2.172 55.752 58.100 -0.292 0.000 1.044 583 Y CB 1.840 39.678 38.460 -1.036 0.000 1.230 583 Y HN 0.679 nan 8.280 nan 0.000 0.455 584 K N 2.817 123.372 120.400 0.257 0.000 2.265 584 K HA 0.597 4.917 4.320 -0.000 0.000 0.267 584 K C 0.276 177.070 176.600 0.323 0.000 0.994 584 K CA 0.321 56.767 56.287 0.264 0.000 0.860 584 K CB 1.014 33.647 32.500 0.221 0.000 1.099 584 K HN 1.165 nan 8.250 nan 0.000 0.448 585 G N 2.901 111.867 108.800 0.278 0.000 2.475 585 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.223 585 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.223 585 G C -1.128 173.872 174.900 0.168 0.000 1.201 585 G CA -0.332 44.906 45.100 0.228 0.000 0.962 585 G HN 0.638 nan 8.290 nan 0.000 0.586 586 D N 1.490 121.930 120.400 0.066 0.000 2.277 586 D HA 0.553 5.193 4.640 -0.000 0.000 0.249 586 D C -0.844 175.310 176.300 -0.242 0.000 1.134 586 D CA -1.818 52.155 54.000 -0.046 0.000 0.863 586 D CB 1.545 42.367 40.800 0.037 0.000 1.143 586 D HN -0.014 nan 8.370 nan 0.000 0.458 587 P HA -0.149 nan 4.420 nan 0.000 0.214 587 P C 1.569 178.754 177.300 -0.192 0.000 1.163 587 P CA 0.815 63.413 63.100 -0.836 0.000 0.889 587 P CB 0.236 31.397 31.700 -0.897 0.000 0.790 588 I N -0.966 119.541 120.570 -0.105 0.000 2.454 588 I HA -0.105 4.065 4.170 -0.000 0.000 0.254 588 I C 2.304 178.463 176.117 0.071 0.000 1.156 588 I CA 1.786 63.098 61.300 0.019 0.000 1.433 588 I CB -2.154 35.876 38.000 0.050 0.000 1.082 588 I HN 0.026 nan 8.210 nan 0.000 0.432 589 G N 0.243 109.057 108.800 0.022 0.000 2.464 589 G HA2 -0.011 3.948 3.960 -0.000 0.000 0.217 589 G HA3 -0.011 3.948 3.960 -0.000 0.000 0.217 589 G C 1.790 176.650 174.900 -0.066 0.000 1.138 589 G CA 0.722 45.809 45.100 -0.023 0.000 0.793 589 G HN 0.473 nan 8.290 nan 0.000 0.539 590 A N -0.036 122.775 122.820 -0.016 0.000 1.935 590 A HA 0.129 4.449 4.320 -0.000 0.000 0.214 590 A C 2.040 179.699 177.584 0.125 0.000 1.178 590 A CA 1.159 53.216 52.037 0.034 0.000 0.640 590 A CB -0.593 18.473 19.000 0.111 0.000 0.825 590 A HN 0.404 nan 8.150 nan 0.000 0.447 591 Y N 1.078 121.425 120.300 0.078 0.000 2.193 591 Y HA -0.324 4.226 4.550 -0.000 0.000 0.285 591 Y C 2.273 178.114 175.900 -0.099 0.000 1.166 591 Y CA 2.459 60.549 58.100 -0.016 0.000 1.181 591 Y CB -0.020 38.444 38.460 0.008 0.000 0.976 591 Y HN 0.282 nan 8.280 nan 0.000 0.520 592 K N 0.631 121.123 120.400 0.153 0.000 2.097 592 K HA -0.176 4.144 4.320 -0.000 0.000 0.205 592 K C 1.711 178.240 176.600 -0.118 0.000 1.050 592 K CA 1.881 58.181 56.287 0.021 0.000 0.938 592 K CB -0.627 31.872 32.500 -0.002 0.000 0.718 592 K HN 0.393 nan 8.250 nan 0.000 0.442 593 D N -0.538 119.771 120.400 -0.151 0.000 2.144 593 D HA -0.123 4.517 4.640 -0.000 0.000 0.199 593 D C 1.616 177.814 176.300 -0.169 0.000 0.984 593 D CA 1.687 55.576 54.000 -0.184 0.000 0.834 593 D CB 0.251 40.918 40.800 -0.220 0.000 0.955 593 D HN 0.137 nan 8.370 nan 0.000 0.465 594 V N -2.188 117.572 119.914 -0.255 0.000 3.379 594 V HA 0.169 4.289 4.120 -0.000 0.000 0.249 594 V C 1.939 177.734 176.094 -0.499 0.000 1.184 594 V CA 0.003 62.090 62.300 -0.356 0.000 1.106 594 V CB -0.052 31.461 31.823 -0.517 0.000 0.826 594 V HN 0.008 nan 8.190 nan 0.000 0.465 595 I N 2.141 122.361 120.570 -0.584 0.000 3.251 595 I HA 0.299 4.469 4.170 -0.000 0.000 0.277 595 I C 2.252 178.172 176.117 -0.330 0.000 1.268 595 I CA 1.333 62.287 61.300 -0.577 0.000 1.449 595 I CB -1.043 36.413 38.000 -0.907 0.000 1.083 595 I HN 0.608 nan 8.210 nan 0.000 0.464 596 G N 1.403 110.048 108.800 -0.257 0.000 2.245 596 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.264 596 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.264 596 G C 0.709 175.465 174.900 -0.239 0.000 0.985 596 G CA 0.256 45.233 45.100 -0.206 0.000 0.625 596 G HN 0.398 nan 8.290 nan 0.000 0.536 597 R N -0.518 119.826 120.500 -0.261 0.000 2.905 597 R HA 0.453 4.793 4.340 -0.000 0.000 0.260 597 R C -0.685 175.623 176.300 0.013 0.000 1.086 597 R CA -0.869 55.059 56.100 -0.286 0.000 0.978 597 R CB 0.909 30.707 30.300 -0.837 0.000 1.215 597 R HN 0.202 nan 8.270 nan 0.000 0.480 598 N N 0.613 119.336 118.700 0.038 0.000 2.473 598 N HA 0.161 4.901 4.740 -0.000 0.000 0.291 598 N C 1.021 176.609 175.510 0.130 0.000 1.083 598 N CA -0.266 52.851 53.050 0.112 0.000 0.951 598 N CB 1.584 40.101 38.487 0.050 0.000 1.164 598 N HN 0.385 nan 8.380 nan 0.000 0.480 599 L N 1.903 123.044 121.223 -0.137 0.000 2.043 599 L HA -0.237 4.102 4.340 -0.000 0.000 0.212 599 L C 1.920 178.766 176.870 -0.041 0.000 1.075 599 L CA 1.455 56.078 54.840 -0.362 0.000 0.752 599 L CB -0.183 41.500 42.059 -0.627 0.000 0.891 599 L HN 0.620 nan 8.230 nan 0.000 0.432 600 S N -0.258 115.449 115.700 0.011 0.000 2.423 600 S HA -0.261 4.209 4.470 -0.000 0.000 0.238 600 S C 1.514 176.180 174.600 0.109 0.000 1.028 600 S CA 1.753 59.986 58.200 0.055 0.000 1.000 600 S CB -0.376 62.862 63.200 0.063 0.000 0.797 600 S HN 0.576 nan 8.310 nan 0.000 0.487 601 E N 0.407 120.731 120.200 0.207 0.000 2.481 601 E HA 0.080 4.430 4.350 -0.000 0.000 0.195 601 E C 0.080 176.921 176.600 0.401 0.000 1.047 601 E CA -0.162 56.437 56.400 0.331 0.000 0.867 601 E CB 0.027 29.962 29.700 0.392 0.000 0.858 601 E HN 0.186 nan 8.360 nan 0.000 0.513 602 L N 2.340 123.690 121.223 0.211 0.000 2.536 602 L HA 0.009 4.349 4.340 -0.000 0.000 0.282 602 L C 1.015 177.807 176.870 -0.130 0.000 1.174 602 L CA 0.998 55.693 54.840 -0.242 0.000 0.989 602 L CB -0.073 41.855 42.059 -0.218 0.000 1.311 602 L HN -0.055 nan 8.230 nan 0.000 0.455 603 K N 3.241 123.571 120.400 -0.117 0.000 2.021 603 K HA -0.012 4.308 4.320 -0.000 0.000 0.205 603 K C 0.441 177.004 176.600 -0.062 0.000 1.047 603 K CA 0.589 56.848 56.287 -0.047 0.000 0.943 603 K CB 0.485 32.986 32.500 0.001 0.000 0.725 603 K HN 0.474 nan 8.250 nan 0.000 0.439 604 R N -0.624 119.811 120.500 -0.107 0.000 2.771 604 R HA 0.317 4.657 4.340 -0.000 0.000 0.274 604 R C -1.673 174.587 176.300 -0.066 0.000 0.987 604 R CA -0.456 55.612 56.100 -0.054 0.000 0.908 604 R CB 2.416 32.701 30.300 -0.025 0.000 1.213 604 R HN -0.068 nan 8.270 nan 0.000 0.468 605 T N 0.546 115.112 114.554 0.019 0.000 2.863 605 T HA 0.396 4.746 4.350 -0.000 0.000 0.285 605 T C -0.268 174.480 174.700 0.080 0.000 1.009 605 T CA -0.574 61.555 62.100 0.049 0.000 0.989 605 T CB 1.722 70.671 68.868 0.134 0.000 1.004 605 T HN 0.737 nan 8.240 nan 0.000 0.455 606 G N 1.999 110.824 108.800 0.042 0.000 2.230 606 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.282 606 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.282 606 G C 0.819 175.783 174.900 0.107 0.000 0.999 606 G CA 0.024 45.161 45.100 0.061 0.000 1.326 606 G HN 0.765 nan 8.290 nan 0.000 0.397 607 F N 2.044 122.006 119.950 0.019 0.000 2.085 607 F HA -0.247 4.280 4.527 -0.000 0.000 0.299 607 F C 2.324 178.145 175.800 0.034 0.000 1.096 607 F CA 2.393 60.414 58.000 0.034 0.000 1.227 607 F CB 0.296 39.312 39.000 0.027 0.000 0.983 607 F HN 0.471 nan 8.300 nan 0.000 0.482 608 E N 0.190 120.438 120.200 0.081 0.000 2.047 608 E HA -0.221 4.129 4.350 -0.000 0.000 0.191 608 E C 2.151 178.697 176.600 -0.090 0.000 0.987 608 E CA 1.369 57.756 56.400 -0.021 0.000 0.799 608 E CB -0.543 29.196 29.700 0.064 0.000 0.752 608 E HN 0.303 nan 8.360 nan 0.000 0.449 609 K N 1.356 121.718 120.400 -0.064 0.000 2.057 609 K HA -0.052 4.268 4.320 -0.000 0.000 0.206 609 K C 2.070 178.620 176.600 -0.084 0.000 1.050 609 K CA 0.475 56.705 56.287 -0.095 0.000 0.935 609 K CB -0.428 31.997 32.500 -0.125 0.000 0.715 609 K HN 0.057 nan 8.250 nan 0.000 0.439 610 L N 0.229 121.421 121.223 -0.052 0.000 2.083 610 L HA -0.096 4.244 4.340 -0.000 0.000 0.209 610 L C 1.992 178.832 176.870 -0.049 0.000 1.083 610 L CA 2.192 57.052 54.840 0.034 0.000 0.752 610 L CB -1.132 40.972 42.059 0.075 0.000 0.899 610 L HN 0.312 nan 8.230 nan 0.000 0.433 611 A N 0.263 122.964 122.820 -0.198 0.000 1.858 611 A HA -0.273 4.047 4.320 -0.000 0.000 0.216 611 A C 2.114 179.635 177.584 -0.106 0.000 1.190 611 A CA 1.725 53.637 52.037 -0.210 0.000 0.617 611 A CB -0.983 17.794 19.000 -0.373 0.000 0.827 611 A HN 0.602 nan 8.150 nan 0.000 0.443 612 N N 0.437 119.079 118.700 -0.098 0.000 2.094 612 N HA -0.137 4.603 4.740 -0.000 0.000 0.191 612 N C 1.616 177.092 175.510 -0.058 0.000 1.023 612 N CA 1.588 54.597 53.050 -0.069 0.000 0.857 612 N CB -0.330 38.115 38.487 -0.070 0.000 1.013 612 N HN 0.507 nan 8.380 nan 0.000 0.426 613 L N 0.334 121.533 121.223 -0.040 0.000 2.456 613 L HA -0.040 4.300 4.340 -0.000 0.000 0.224 613 L C 1.025 177.875 176.870 -0.035 0.000 1.148 613 L CA 0.532 55.373 54.840 0.001 0.000 0.825 613 L CB -0.226 41.897 42.059 0.107 0.000 0.937 613 L HN 0.125 nan 8.230 nan 0.000 0.450 614 N N -0.901 117.755 118.700 -0.073 0.000 2.205 614 N HA 0.128 4.868 4.740 -0.000 0.000 0.201 614 N C 1.634 177.033 175.510 -0.186 0.000 1.128 614 N CA 0.081 53.024 53.050 -0.177 0.000 0.867 614 N CB 0.557 38.975 38.487 -0.116 0.000 0.996 614 N HN 0.247 nan 8.380 nan 0.000 0.503 615 L N 0.889 122.050 121.223 -0.102 0.000 1.943 615 L HA -0.235 4.105 4.340 -0.000 0.000 0.215 615 L C 2.386 179.197 176.870 -0.099 0.000 1.074 615 L CA 1.668 56.470 54.840 -0.064 0.000 0.759 615 L CB -0.910 41.125 42.059 -0.039 0.000 0.888 615 L HN 0.183 nan 8.230 nan 0.000 0.433 616 S N 0.316 115.952 115.700 -0.107 0.000 2.434 616 S HA -0.322 4.148 4.470 -0.000 0.000 0.250 616 S C 1.904 176.407 174.600 -0.162 0.000 1.102 616 S CA 1.941 60.077 58.200 -0.106 0.000 1.104 616 S CB -1.322 61.809 63.200 -0.116 0.000 0.957 616 S HN 0.378 nan 8.310 nan 0.000 0.456 617 L N 0.925 121.944 121.223 -0.341 0.000 2.129 617 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 617 L C 2.695 179.372 176.870 -0.322 0.000 1.087 617 L CA 1.710 56.172 54.840 -0.631 0.000 0.757 617 L CB -0.634 40.486 42.059 -1.566 0.000 0.896 617 L HN 0.432 nan 8.230 nan 0.000 0.434 618 S N -2.192 113.493 115.700 -0.025 0.000 2.468 618 S HA -0.065 4.405 4.470 -0.000 0.000 0.226 618 S C 1.921 176.590 174.600 0.115 0.000 1.051 618 S CA 0.790 59.126 58.200 0.227 0.000 0.943 618 S CB 0.273 63.649 63.200 0.293 0.000 0.810 618 S HN 0.303 nan 8.310 nan 0.000 0.509 619 T N 2.732 117.319 114.554 0.055 0.000 2.708 619 T HA 0.098 4.448 4.350 -0.000 0.000 0.266 619 T C 1.308 176.044 174.700 0.060 0.000 1.037 619 T CA 0.994 63.123 62.100 0.048 0.000 1.146 619 T CB -0.289 68.595 68.868 0.027 0.000 0.865 619 T HN 0.239 nan 8.240 nan 0.000 0.435 620 L N 0.397 121.654 121.223 0.057 0.000 2.612 620 L HA 0.302 4.642 4.340 -0.000 0.000 0.230 620 L C 1.656 178.587 176.870 0.102 0.000 1.140 620 L CA 0.126 55.028 54.840 0.103 0.000 0.896 620 L CB -0.370 41.764 42.059 0.124 0.000 1.065 620 L HN 0.406 nan 8.230 nan 0.000 0.447 621 G N 0.155 109.011 108.800 0.093 0.000 2.258 621 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.274 621 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.274 621 G C 0.762 175.742 174.900 0.134 0.000 1.021 621 G CA 0.485 45.656 45.100 0.118 0.000 0.798 621 G HN 0.209 nan 8.290 nan 0.000 0.507 622 V N -1.277 118.698 119.914 0.101 0.000 2.626 622 V HA 0.131 4.250 4.120 -0.000 0.000 0.252 622 V C 1.356 177.576 176.094 0.209 0.000 1.067 622 V CA 2.123 64.474 62.300 0.085 0.000 1.081 622 V CB -0.741 31.059 31.823 -0.039 0.000 0.686 622 V HN 0.913 nan 8.190 nan 0.000 0.468 623 W N -0.199 121.103 121.300 0.004 0.000 3.029 623 W HA 0.692 5.352 4.660 -0.000 0.000 0.339 623 W C -0.316 176.200 176.519 -0.005 0.000 1.198 623 W CA -1.290 56.055 57.345 -0.001 0.000 1.148 623 W CB 0.210 29.667 29.460 -0.005 0.000 1.451 623 W HN -0.042 nan 8.180 nan 0.000 0.564 624 T N -1.146 113.401 114.554 -0.011 0.000 2.944 624 T HA 0.328 4.677 4.350 -0.000 0.000 0.284 624 T C 1.004 175.422 174.700 -0.470 0.000 1.010 624 T CA -0.412 61.583 62.100 -0.174 0.000 1.025 624 T CB 1.815 70.622 68.868 -0.102 0.000 1.079 624 T HN 0.644 nan 8.240 nan 0.000 0.516 625 K N -0.259 119.877 120.400 -0.439 0.000 2.442 625 K HA -0.078 4.242 4.320 -0.000 0.000 0.198 625 K C 1.151 177.550 176.600 -0.335 0.000 1.042 625 K CA 1.168 57.160 56.287 -0.491 0.000 0.958 625 K CB -0.457 31.826 32.500 -0.362 0.000 0.766 625 K HN 0.809 nan 8.250 nan 0.000 0.474 626 H N 0.162 119.080 119.070 -0.252 0.000 2.551 626 H HA 0.118 4.674 4.556 -0.000 0.000 0.271 626 H C 1.011 176.234 175.328 -0.175 0.000 0.984 626 H CA -0.020 55.921 56.048 -0.178 0.000 1.164 626 H CB 0.659 30.355 29.762 -0.111 0.000 1.437 626 H HN 0.235 nan 8.280 nan 0.000 0.550 627 T N -0.521 113.949 114.554 -0.139 0.000 2.737 627 T HA -0.153 4.197 4.350 -0.000 0.000 0.265 627 T C 2.267 176.921 174.700 -0.075 0.000 1.038 627 T CA 1.289 63.336 62.100 -0.087 0.000 1.144 627 T CB -0.154 68.684 68.868 -0.050 0.000 0.866 627 T HN 0.251 nan 8.240 nan 0.000 0.434 628 S N 0.922 116.509 115.700 -0.188 0.000 2.365 628 S HA -0.167 4.303 4.470 -0.000 0.000 0.225 628 S C 2.025 176.601 174.600 -0.041 0.000 1.039 628 S CA 1.424 59.575 58.200 -0.081 0.000 1.033 628 S CB -0.270 62.849 63.200 -0.136 0.000 0.887 628 S HN 0.454 nan 8.310 nan 0.000 0.447 629 K N 0.829 121.195 120.400 -0.057 0.000 1.978 629 K HA -0.089 4.231 4.320 -0.000 0.000 0.214 629 K C 2.459 179.033 176.600 -0.044 0.000 1.049 629 K CA 1.187 57.446 56.287 -0.048 0.000 0.939 629 K CB -0.154 32.306 32.500 -0.068 0.000 0.721 629 K HN 0.161 nan 8.250 nan 0.000 0.441 630 R N 0.383 120.858 120.500 -0.042 0.000 2.133 630 R HA -0.196 4.144 4.340 -0.000 0.000 0.245 630 R C 2.294 178.579 176.300 -0.026 0.000 1.137 630 R CA 1.887 57.967 56.100 -0.034 0.000 0.947 630 R CB -0.582 29.707 30.300 -0.018 0.000 0.865 630 R HN 0.311 nan 8.270 nan 0.000 0.437 631 I N 0.822 121.385 120.570 -0.011 0.000 2.264 631 I HA -0.268 3.902 4.170 -0.000 0.000 0.248 631 I C 2.413 178.519 176.117 -0.020 0.000 1.111 631 I CA 1.405 62.699 61.300 -0.010 0.000 1.382 631 I CB -0.753 37.254 38.000 0.011 0.000 1.060 631 I HN 0.234 nan 8.210 nan 0.000 0.418 632 I N 0.338 120.897 120.570 -0.017 0.000 2.110 632 I HA -0.335 3.835 4.170 -0.000 0.000 0.236 632 I C 2.652 178.752 176.117 -0.030 0.000 1.068 632 I CA 1.325 62.614 61.300 -0.019 0.000 1.333 632 I CB -0.404 37.588 38.000 -0.014 0.000 1.054 632 I HN 0.263 nan 8.210 nan 0.000 0.402 633 Q N 0.459 120.237 119.800 -0.036 0.000 2.173 633 Q HA -0.278 4.062 4.340 -0.000 0.000 0.208 633 Q C 1.751 177.720 176.000 -0.052 0.000 0.989 633 Q CA 1.904 57.680 55.803 -0.044 0.000 0.872 633 Q CB -0.206 28.500 28.738 -0.052 0.000 0.909 633 Q HN 0.511 nan 8.270 nan 0.000 0.420 634 D N -0.352 120.017 120.400 -0.053 0.000 2.144 634 D HA -0.137 4.503 4.640 -0.000 0.000 0.199 634 D C 1.858 178.108 176.300 -0.082 0.000 0.984 634 D CA 0.853 54.814 54.000 -0.066 0.000 0.834 634 D CB -0.397 40.368 40.800 -0.057 0.000 0.955 634 D HN 0.273 nan 8.370 nan 0.000 0.465 635 C N 0.061 119.322 119.300 -0.066 0.000 2.473 635 C HA -0.071 4.389 4.460 -0.000 0.000 0.279 635 C C 2.919 177.866 174.990 -0.072 0.000 1.250 635 C CA 0.171 59.147 59.018 -0.070 0.000 1.713 635 C CB -0.811 26.903 27.740 -0.043 0.000 2.066 635 C HN 0.163 nan 8.230 nan 0.000 0.474 636 V N 1.883 121.770 119.914 -0.045 0.000 2.250 636 V HA -0.328 3.792 4.120 -0.000 0.000 0.253 636 V C 2.640 178.696 176.094 -0.064 0.000 1.065 636 V CA 2.458 64.741 62.300 -0.029 0.000 1.039 636 V CB -1.607 30.206 31.823 -0.017 0.000 0.647 636 V HN 0.646 nan 8.190 nan 0.000 0.446 637 A N 0.381 123.150 122.820 -0.084 0.000 1.877 637 A HA -0.314 4.006 4.320 -0.000 0.000 0.218 637 A C 2.115 179.578 177.584 -0.202 0.000 1.301 637 A CA 2.714 54.681 52.037 -0.117 0.000 0.699 637 A CB -0.971 17.960 19.000 -0.115 0.000 0.844 637 A HN 0.496 nan 8.150 nan 0.000 0.464 638 I N -0.439 119.966 120.570 -0.274 0.000 2.300 638 I HA -0.263 3.907 4.170 -0.000 0.000 0.252 638 I C 2.104 177.789 176.117 -0.721 0.000 1.119 638 I CA 1.356 62.347 61.300 -0.516 0.000 1.384 638 I CB -0.563 37.158 38.000 -0.464 0.000 1.062 638 I HN 0.496 nan 8.210 nan 0.000 0.426 639 G N -0.271 108.346 108.800 -0.305 0.000 3.434 639 G HA2 0.063 4.023 3.960 -0.000 0.000 0.258 639 G HA3 0.063 4.023 3.960 -0.000 0.000 0.258 639 G C 1.366 176.313 174.900 0.078 0.000 1.128 639 G CA -0.288 44.793 45.100 -0.032 0.000 0.792 639 G HN 0.238 nan 8.290 nan 0.000 0.539 640 K N 0.556 120.945 120.400 -0.017 0.000 2.078 640 K HA 0.054 4.374 4.320 -0.000 0.000 0.203 640 K C 1.281 177.843 176.600 -0.062 0.000 1.043 640 K CA 0.245 56.539 56.287 0.011 0.000 0.960 640 K CB 0.061 32.573 32.500 0.020 0.000 0.761 640 K HN 0.602 nan 8.250 nan 0.000 0.448 641 E N 1.929 122.154 120.200 0.042 0.000 2.436 641 E HA -0.060 4.290 4.350 -0.000 0.000 0.262 641 E C -0.453 176.156 176.600 0.015 0.000 1.063 641 E CA -0.202 56.261 56.400 0.104 0.000 0.944 641 E CB 0.442 30.261 29.700 0.198 0.000 0.950 641 E HN -0.079 nan 8.360 nan 0.000 0.444 642 E N 0.792 120.990 120.200 -0.004 0.000 2.442 642 E HA 0.250 4.600 4.350 -0.000 0.000 0.262 642 E C 0.207 176.679 176.600 -0.213 0.000 1.004 642 E CA 1.364 57.736 56.400 -0.047 0.000 0.928 642 E CB 1.002 30.738 29.700 0.061 0.000 0.937 642 E HN 0.732 nan 8.360 nan 0.000 0.446 643 G N 2.344 110.886 108.800 -0.431 0.000 2.368 643 G HA2 -0.105 3.854 3.960 -0.000 0.000 0.302 643 G HA3 -0.105 3.854 3.960 -0.000 0.000 0.302 643 G C -0.977 173.398 174.900 -0.876 0.000 1.329 643 G CA -0.909 43.673 45.100 -0.864 0.000 0.935 643 G HN 0.406 nan 8.290 nan 0.000 0.590 644 N N 0.328 118.534 118.700 -0.823 0.000 3.105 644 N HA 0.351 5.091 4.740 -0.000 0.000 0.256 644 N C -0.754 174.706 175.510 -0.084 0.000 1.174 644 N CA -0.544 52.299 53.050 -0.345 0.000 1.030 644 N CB -0.076 38.266 38.487 -0.242 0.000 1.305 644 N HN 0.455 nan 8.380 nan 0.000 0.509 645 W N 4.117 125.541 121.300 0.207 0.000 2.507 645 W HA 0.233 4.893 4.660 -0.000 0.000 0.334 645 W C 1.602 178.118 176.519 -0.006 0.000 1.165 645 W CA -0.910 56.494 57.345 0.098 0.000 1.460 645 W CB 0.654 30.115 29.460 0.001 0.000 1.404 645 W HN 0.378 nan 8.180 nan 0.000 0.435 646 L N 4.353 125.552 121.223 -0.040 0.000 2.369 646 L HA -0.244 4.096 4.340 -0.000 0.000 0.220 646 L C 1.836 178.467 176.870 -0.399 0.000 1.119 646 L CA 1.398 55.756 54.840 -0.804 0.000 0.780 646 L CB -0.005 41.740 42.059 -0.524 0.000 0.906 646 L HN 0.476 nan 8.230 nan 0.000 0.442 647 V N -4.219 115.631 119.914 -0.107 0.000 3.602 647 V HA 0.067 4.186 4.120 -0.000 0.000 0.289 647 V C 1.835 177.921 176.094 -0.014 0.000 1.265 647 V CA 0.377 62.634 62.300 -0.070 0.000 1.202 647 V CB -0.517 31.277 31.823 -0.049 0.000 1.012 647 V HN 0.247 nan 8.190 nan 0.000 0.431 648 K N 1.073 121.483 120.400 0.016 0.000 2.242 648 K HA 0.242 4.562 4.320 -0.000 0.000 0.200 648 K C -0.337 176.300 176.600 0.063 0.000 1.050 648 K CA 0.237 56.582 56.287 0.097 0.000 0.981 648 K CB -1.458 31.173 32.500 0.218 0.000 0.795 648 K HN 0.424 nan 8.250 nan 0.000 0.477 649 P HA -0.144 nan 4.420 nan 0.000 0.225 649 P C -0.581 176.705 177.300 -0.023 0.000 1.141 649 P CA 0.969 64.070 63.100 0.002 0.000 0.774 649 P CB -0.065 31.594 31.700 -0.069 0.000 0.760 650 D N -1.012 119.378 120.400 -0.018 0.000 2.393 650 D HA 0.087 4.727 4.640 -0.000 0.000 0.232 650 D C 1.287 177.594 176.300 0.012 0.000 1.192 650 D CA -0.317 53.674 54.000 -0.015 0.000 0.882 650 D CB 0.273 41.063 40.800 -0.016 0.000 1.038 650 D HN -0.155 nan 8.370 nan 0.000 0.499 651 R N 2.204 122.713 120.500 0.014 0.000 2.140 651 R HA -0.220 4.120 4.340 -0.000 0.000 0.250 651 R C 1.751 178.068 176.300 0.027 0.000 1.150 651 R CA 1.175 57.291 56.100 0.026 0.000 0.966 651 R CB -0.206 30.108 30.300 0.023 0.000 0.869 651 R HN 0.505 nan 8.270 nan 0.000 0.445 652 L N 0.499 121.735 121.223 0.021 0.000 1.988 652 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 652 L C 1.883 178.770 176.870 0.028 0.000 1.071 652 L CA 1.669 56.523 54.840 0.023 0.000 0.744 652 L CB -0.488 41.584 42.059 0.021 0.000 0.893 652 L HN 0.030 nan 8.230 nan 0.000 0.433 653 I N -0.466 120.119 120.570 0.025 0.000 2.248 653 I HA -0.306 3.864 4.170 -0.000 0.000 0.248 653 I C 2.824 178.976 176.117 0.059 0.000 1.107 653 I CA 1.738 63.057 61.300 0.032 0.000 1.373 653 I CB -1.148 36.864 38.000 0.021 0.000 1.055 653 I HN 0.457 nan 8.210 nan 0.000 0.418 654 S N -0.402 115.336 115.700 0.063 0.000 2.363 654 S HA -0.288 4.182 4.470 -0.000 0.000 0.218 654 S C 2.453 177.096 174.600 0.070 0.000 1.035 654 S CA 2.396 60.645 58.200 0.082 0.000 1.043 654 S CB -0.869 62.372 63.200 0.069 0.000 0.986 654 S HN 0.562 nan 8.310 nan 0.000 0.423 655 S N 0.996 116.725 115.700 0.048 0.000 2.381 655 S HA -0.241 4.229 4.470 -0.000 0.000 0.230 655 S C 1.890 176.514 174.600 0.040 0.000 1.052 655 S CA 2.002 60.223 58.200 0.036 0.000 1.068 655 S CB -0.708 62.509 63.200 0.027 0.000 0.918 655 S HN 0.675 nan 8.310 nan 0.000 0.448 656 K N -0.024 120.402 120.400 0.043 0.000 2.288 656 K HA -0.015 4.305 4.320 -0.000 0.000 0.201 656 K C 2.296 178.936 176.600 0.067 0.000 1.048 656 K CA 1.494 57.807 56.287 0.043 0.000 0.956 656 K CB -0.202 32.316 32.500 0.030 0.000 0.746 656 K HN 0.792 nan 8.250 nan 0.000 0.461 657 T N -3.993 110.623 114.554 0.103 0.000 3.023 657 T HA 0.158 4.508 4.350 -0.000 0.000 0.249 657 T C 1.423 176.274 174.700 0.252 0.000 1.050 657 T CA 0.563 62.771 62.100 0.179 0.000 1.088 657 T CB 0.552 69.550 68.868 0.217 0.000 0.946 657 T HN 0.249 nan 8.240 nan 0.000 0.480 658 G N 1.399 110.279 108.800 0.132 0.000 2.136 658 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.242 658 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.242 658 G C -0.130 174.657 174.900 -0.187 0.000 0.989 658 G CA 0.156 45.249 45.100 -0.012 0.000 0.682 658 G HN 0.782 nan 8.290 nan 0.000 0.522 659 H N -0.853 118.253 119.070 0.060 0.000 2.637 659 H HA 0.616 5.172 4.556 -0.000 0.000 0.363 659 H C 0.250 175.620 175.328 0.070 0.000 1.131 659 H CA -0.619 55.465 56.048 0.060 0.000 1.183 659 H CB 1.929 31.745 29.762 0.090 0.000 1.637 659 H HN 0.139 nan 8.280 nan 0.000 0.531 660 L N 1.222 122.530 121.223 0.141 0.000 2.397 660 L HA 0.334 4.674 4.340 -0.000 0.000 0.266 660 L C -0.822 176.143 176.870 0.160 0.000 1.040 660 L CA -1.084 53.828 54.840 0.119 0.000 0.800 660 L CB 1.017 43.105 42.059 0.048 0.000 1.324 660 L HN 0.461 nan 8.230 nan 0.000 0.469 661 Y N 0.686 120.999 120.300 0.022 0.000 2.341 661 Y HA 0.508 5.058 4.550 -0.000 0.000 0.338 661 Y C -0.755 175.136 175.900 -0.016 0.000 0.965 661 Y CA -0.883 57.220 58.100 0.005 0.000 1.108 661 Y CB 1.250 39.718 38.460 0.014 0.000 1.180 661 Y HN 0.247 nan 8.280 nan 0.000 0.458 662 I N 9.793 129.927 120.570 -0.726 0.000 2.287 662 I HA 0.353 4.523 4.170 -0.000 0.000 0.290 662 I C -2.130 173.527 176.117 -0.767 0.000 1.069 662 I CA -2.617 58.366 61.300 -0.527 0.000 1.237 662 I CB 0.623 38.421 38.000 -0.336 0.000 1.418 662 I HN 0.543 nan 8.210 nan 0.000 0.481 663 P HA 0.173 nan 4.420 nan 0.000 0.272 663 P C -0.772 176.446 177.300 -0.136 0.000 1.254 663 P CA -0.256 62.733 63.100 -0.185 0.000 0.795 663 P CB 0.710 32.419 31.700 0.015 0.000 1.022 664 D N -0.343 120.035 120.400 -0.038 0.000 2.661 664 D HA 0.148 4.788 4.640 -0.000 0.000 0.228 664 D C -0.527 175.772 176.300 -0.002 0.000 1.183 664 D CA -0.518 53.470 54.000 -0.020 0.000 0.844 664 D CB 1.544 42.345 40.800 0.002 0.000 1.555 664 D HN 0.090 nan 8.370 nan 0.000 0.453 665 K N 0.295 120.704 120.400 0.014 0.000 2.578 665 K HA 0.222 4.541 4.320 -0.000 0.000 0.279 665 K C 0.253 176.851 176.600 -0.003 0.000 0.983 665 K CA 0.465 56.753 56.287 0.002 0.000 1.078 665 K CB 0.107 32.721 32.500 0.190 0.000 0.852 665 K HN 0.578 nan 8.250 nan 0.000 0.490 666 G N 2.217 110.856 108.800 -0.269 0.000 2.753 666 G HA2 0.615 4.575 3.960 -0.000 0.000 0.297 666 G HA3 0.615 4.575 3.960 -0.000 0.000 0.297 666 G C -1.612 173.012 174.900 -0.460 0.000 1.430 666 G CA -0.690 44.321 45.100 -0.148 0.000 1.040 666 G HN 0.229 nan 8.290 nan 0.000 0.530 667 F N 0.840 120.823 119.950 0.055 0.000 2.518 667 F HA 0.489 5.016 4.527 -0.000 0.000 0.323 667 F C 0.637 176.477 175.800 0.067 0.000 1.129 667 F CA -0.790 57.242 58.000 0.055 0.000 0.920 667 F CB 2.586 41.613 39.000 0.044 0.000 1.160 667 F HN 0.277 nan 8.300 nan 0.000 0.440 668 T N 4.831 119.516 114.554 0.219 0.000 2.869 668 T HA 0.667 5.017 4.350 -0.000 0.000 0.295 668 T C -0.462 174.315 174.700 0.129 0.000 0.987 668 T CA -0.199 62.046 62.100 0.242 0.000 1.109 668 T CB 0.449 69.427 68.868 0.183 0.000 0.932 668 T HN 0.268 nan 8.240 nan 0.000 0.518 669 L N 2.702 123.911 121.223 -0.024 0.000 2.401 669 L HA 0.394 4.734 4.340 -0.000 0.000 0.266 669 L C 0.110 176.879 176.870 -0.169 0.000 0.991 669 L CA -0.883 53.821 54.840 -0.225 0.000 0.818 669 L CB 1.894 43.558 42.059 -0.658 0.000 1.321 669 L HN 0.513 nan 8.230 nan 0.000 0.413 670 Q N 1.053 120.847 119.800 -0.010 0.000 2.313 670 Q HA 0.430 4.770 4.340 -0.000 0.000 0.266 670 Q C 0.320 176.347 176.000 0.044 0.000 0.989 670 Q CA 0.162 55.956 55.803 -0.016 0.000 0.890 670 Q CB 1.265 30.008 28.738 0.008 0.000 1.200 670 Q HN 0.871 nan 8.270 nan 0.000 0.396 671 G N 1.714 110.551 108.800 0.061 0.000 2.849 671 G HA2 0.098 4.057 3.960 -0.000 0.000 0.174 671 G HA3 0.098 4.057 3.960 -0.000 0.000 0.174 671 G C 0.375 175.346 174.900 0.118 0.000 1.370 671 G CA -0.397 44.844 45.100 0.235 0.000 1.040 671 G HN 0.536 nan 8.290 nan 0.000 0.582 672 K N -0.428 120.061 120.400 0.149 0.000 1.987 672 K HA -0.116 4.204 4.320 -0.000 0.000 0.216 672 K C 0.782 177.437 176.600 0.092 0.000 1.051 672 K CA 1.104 57.484 56.287 0.154 0.000 0.942 672 K CB -0.420 32.210 32.500 0.217 0.000 0.722 672 K HN 0.457 nan 8.250 nan 0.000 0.444 673 H N 1.413 120.347 119.070 -0.228 0.000 3.412 673 H HA -0.038 4.518 4.556 -0.000 0.000 0.240 673 H C -0.402 174.323 175.328 -1.005 0.000 1.213 673 H CA -0.472 55.168 56.048 -0.680 0.000 1.497 673 H CB -0.848 28.479 29.762 -0.726 0.000 1.619 673 H HN 0.161 nan 8.280 nan 0.000 0.508 674 Y N 0.000 120.313 120.300 0.022 0.000 2.660 674 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 674 Y CA 0.000 58.077 58.100 -0.038 0.000 1.940 674 Y CB 0.000 38.420 38.460 -0.067 0.000 1.050 674 Y HN 0.000 nan 8.280 nan 0.000 0.758