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 2b9v_1_O DATA FIRST_RESID 50 DATA SEQUENCE HDPLSVQTGS DIPXXXXXXX XXQRDYIKRE VMVPMRDGVK LYTVIVIPKN DATA SEQUENCE ARNAPILLTR TPYNAKGRAN RVPNALTMRE VLPQGDDVFV EGGYIRVFQD DATA SEQUENCE IRGKYGSQGD YVMTRPPHGP LNPTKTDETT DAWDTVDWLV HNVPESNGRV DATA SEQUENCE GMTGSSYEGF TVVMALLDPH PALKVAAPES PMVDGWMGDD WFHYGAFRQG DATA SEQUENCE AFDYFVSQMT ARGGGNDIPR RDADDYTNFL KAGSAGSFAT QAGLDQYPFW DATA SEQUENCE QRMHAHPAYD AFWQGQALDK ILAQRKPTVP MLWEQGLWDQ EDMWGAIHAW DATA SEQUENCE QALKDADVKA PNTLVMGPWR HSGVNYNGST LGPLEFEGDT AHQYRRDVFR DATA SEQUENCE PFFDEYLKPG SASVHLPDAI IYNTGDQKWD YYRSWPSVCE SNCTGGLTPL DATA SEQUENCE YLADGHGLSF THPAADGADS YVSDPAHPVP FISRPFAFAQ SSRWKPWLVQ DATA SEQUENCE DQREAESRPD VVTYETEVLD EPVRVSGVPV ADLFAATSGT DSDWVVKLID DATA SEQUENCE VQPAMTPDDP KMGGYELPVS MDIFRGRYRK DFAKPEALQP DATLHYHFTL DATA SEQUENCE PAVNHVFAKG HRIMVQIQSS WFPLYDRNPQ KFVPNIFDAK PADYTVATQS DATA SEQUENCE IHHGGKEATS ILLPVVK 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 50 H HA 0.000 nan 4.556 nan 0.000 0.296 50 H C 0.000 175.328 175.328 0.001 0.000 0.993 50 H CA 0.000 56.048 56.048 0.001 0.000 1.023 50 H CB 0.000 29.762 29.762 0.001 0.000 1.292 51 D N 4.466 124.874 120.400 0.012 0.000 2.358 51 D HA 0.126 4.766 4.640 -0.000 0.000 0.258 51 D C -1.253 175.027 176.300 -0.034 0.000 1.223 51 D CA -2.004 51.976 54.000 -0.034 0.000 0.886 51 D CB 1.302 42.101 40.800 -0.001 0.000 1.120 51 D HN 0.305 nan 8.370 nan 0.000 0.482 52 P HA -0.036 nan 4.420 nan 0.000 0.233 52 P C 1.127 178.420 177.300 -0.012 0.000 1.167 52 P CA 0.494 63.566 63.100 -0.046 0.000 0.770 52 P CB 0.309 31.963 31.700 -0.075 0.000 0.837 53 L N -1.534 119.682 121.223 -0.012 0.000 2.611 53 L HA 0.168 4.508 4.340 -0.000 0.000 0.229 53 L C 1.739 178.612 176.870 0.005 0.000 1.137 53 L CA 0.390 55.228 54.840 -0.003 0.000 0.901 53 L CB -0.168 41.887 42.059 -0.007 0.000 1.098 53 L HN -0.056 nan 8.230 nan 0.000 0.456 54 S N -1.840 113.868 115.700 0.013 0.000 3.325 54 S HA 0.192 4.662 4.470 -0.000 0.000 0.254 54 S C 0.402 175.021 174.600 0.031 0.000 1.084 54 S CA -0.170 58.042 58.200 0.019 0.000 0.786 54 S CB 0.976 64.187 63.200 0.019 0.000 0.849 54 S HN -0.071 nan 8.310 nan 0.000 0.483 55 V N 3.229 123.174 119.914 0.051 0.000 2.394 55 V HA 0.591 4.711 4.120 -0.000 0.000 0.282 55 V C -0.550 175.598 176.094 0.090 0.000 1.031 55 V CA -0.411 61.933 62.300 0.072 0.000 0.881 55 V CB 1.292 33.179 31.823 0.107 0.000 0.982 55 V HN 0.309 nan 8.190 nan 0.000 0.451 56 Q N 3.228 123.065 119.800 0.063 0.000 2.381 56 Q HA 0.373 4.713 4.340 -0.000 0.000 0.263 56 Q C 0.548 176.578 176.000 0.049 0.000 1.030 56 Q CA -0.089 55.750 55.803 0.059 0.000 0.772 56 Q CB 1.588 30.347 28.738 0.035 0.000 1.232 56 Q HN 0.883 nan 8.270 nan 0.000 0.476 57 T N -0.122 114.471 114.554 0.064 0.000 3.069 57 T HA 0.405 4.755 4.350 -0.000 0.000 0.252 57 T C 0.781 175.496 174.700 0.026 0.000 1.053 57 T CA 0.264 62.378 62.100 0.024 0.000 0.964 57 T CB 0.507 69.365 68.868 -0.017 0.000 1.005 57 T HN 0.450 nan 8.240 nan 0.000 0.532 58 G N 0.933 109.756 108.800 0.038 0.000 3.019 58 G HA2 0.548 4.508 3.960 -0.000 0.000 0.152 58 G HA3 0.548 4.508 3.960 -0.000 0.000 0.152 58 G C -0.881 174.031 174.900 0.020 0.000 1.320 58 G CA -0.598 44.519 45.100 0.028 0.000 1.013 58 G HN 0.324 nan 8.290 nan 0.000 0.593 59 S N -0.987 114.723 115.700 0.017 0.000 2.501 59 S HA 0.403 4.873 4.470 -0.000 0.000 0.301 59 S C -0.120 174.487 174.600 0.013 0.000 1.096 59 S CA -0.581 57.627 58.200 0.013 0.000 1.063 59 S CB 1.546 64.752 63.200 0.011 0.000 1.042 59 S HN 0.338 nan 8.310 nan 0.000 0.494 60 D N 2.630 123.037 120.400 0.011 0.000 2.349 60 D HA 0.204 4.844 4.640 -0.000 0.000 0.215 60 D C 0.017 176.322 176.300 0.008 0.000 1.016 60 D CA 0.517 54.523 54.000 0.010 0.000 0.870 60 D CB 0.069 40.874 40.800 0.009 0.000 0.917 60 D HN 0.512 nan 8.370 nan 0.000 0.524 61 I N 3.072 123.647 120.570 0.008 0.000 2.291 61 I HA 0.150 4.320 4.170 -0.000 0.000 0.292 61 I C -1.506 174.616 176.117 0.008 0.000 1.064 61 I CA -1.658 59.647 61.300 0.008 0.000 1.269 61 I CB 0.733 38.737 38.000 0.007 0.000 1.418 61 I HN -0.203 nan 8.210 nan 0.000 0.485 73 R N 2.275 122.714 120.500 -0.102 0.000 2.738 73 R HA 0.024 4.364 4.340 -0.000 0.000 0.268 73 R C 0.171 176.413 176.300 -0.097 0.000 1.062 73 R CA 0.888 56.894 56.100 -0.157 0.000 1.158 73 R CB 0.203 30.231 30.300 -0.454 0.000 1.046 73 R HN 0.157 nan 8.270 nan 0.000 0.493 74 D N 0.627 121.033 120.400 0.009 0.000 2.463 74 D HA 0.038 4.678 4.640 -0.000 0.000 0.224 74 D C -0.585 175.821 176.300 0.177 0.000 1.174 74 D CA -0.181 53.869 54.000 0.083 0.000 0.829 74 D CB -0.154 40.713 40.800 0.111 0.000 0.993 74 D HN 0.500 nan 8.370 nan 0.000 0.497 75 Y N -1.310 119.004 120.300 0.024 0.000 2.689 75 Y HA 0.571 5.121 4.550 -0.000 0.000 0.333 75 Y C -1.344 174.572 175.900 0.027 0.000 1.208 75 Y CA -1.826 56.291 58.100 0.028 0.000 1.055 75 Y CB 0.985 39.467 38.460 0.036 0.000 1.304 75 Y HN -0.049 nan 8.280 nan 0.000 0.455 76 I N 0.094 120.759 120.570 0.159 0.000 2.689 76 I HA 0.704 4.874 4.170 -0.000 0.000 0.299 76 I C -1.519 174.736 176.117 0.230 0.000 1.059 76 I CA -1.112 60.225 61.300 0.062 0.000 1.055 76 I CB 2.415 40.435 38.000 0.032 0.000 1.243 76 I HN 0.788 nan 8.210 nan 0.000 0.425 77 K N 4.928 125.435 120.400 0.178 0.000 2.376 77 K HA 0.571 4.891 4.320 -0.000 0.000 0.257 77 K C -1.152 175.514 176.600 0.109 0.000 0.939 77 K CA -0.689 55.714 56.287 0.193 0.000 0.809 77 K CB 1.918 34.568 32.500 0.250 0.000 1.121 77 K HN 0.741 nan 8.250 nan 0.000 0.425 78 R N 2.617 123.169 120.500 0.087 0.000 2.514 78 R HA 0.275 4.615 4.340 -0.000 0.000 0.301 78 R C -0.880 175.423 176.300 0.006 0.000 0.962 78 R CA -0.715 55.420 56.100 0.058 0.000 0.882 78 R CB 1.887 32.232 30.300 0.075 0.000 1.143 78 R HN 0.580 nan 8.270 nan 0.000 0.452 79 E N 2.064 122.256 120.200 -0.013 0.000 2.176 79 E HA 0.420 4.770 4.350 -0.000 0.000 0.267 79 E C -0.984 175.548 176.600 -0.112 0.000 0.893 79 E CA -0.728 55.594 56.400 -0.131 0.000 0.761 79 E CB 2.308 32.009 29.700 0.001 0.000 1.133 79 E HN 0.142 nan 8.360 nan 0.000 0.409 80 V N 2.463 122.240 119.914 -0.229 0.000 3.078 80 V HA 0.424 4.544 4.120 -0.000 0.000 0.311 80 V C -0.544 175.395 176.094 -0.260 0.000 1.138 80 V CA -1.090 61.100 62.300 -0.183 0.000 1.007 80 V CB 2.178 33.868 31.823 -0.222 0.000 1.045 80 V HN 0.684 nan 8.190 nan 0.000 0.432 81 M N 2.586 122.075 119.600 -0.185 0.000 2.047 81 M HA 0.418 4.898 4.480 -0.000 0.000 0.342 81 M C -0.772 175.352 176.300 -0.293 0.000 1.058 81 M CA -0.405 54.804 55.300 -0.152 0.000 0.991 81 M CB 1.052 33.635 32.600 -0.028 0.000 1.474 81 M HN 0.393 nan 8.290 nan 0.000 0.419 82 V N 7.224 126.880 119.914 -0.430 0.000 2.408 82 V HA 0.270 4.390 4.120 -0.000 0.000 0.267 82 V C -1.849 174.088 176.094 -0.262 0.000 1.047 82 V CA -1.211 60.719 62.300 -0.616 0.000 0.937 82 V CB 0.754 32.138 31.823 -0.732 0.000 0.999 82 V HN 0.562 nan 8.190 nan 0.000 0.472 83 P HA 0.282 nan 4.420 nan 0.000 0.279 83 P C -0.459 176.853 177.300 0.020 0.000 1.239 83 P CA -0.409 62.676 63.100 -0.026 0.000 0.789 83 P CB 0.916 32.634 31.700 0.030 0.000 0.933 84 M N 2.629 122.253 119.600 0.041 0.000 2.363 84 M HA 0.254 4.734 4.480 -0.000 0.000 0.280 84 M C 2.082 178.430 176.300 0.080 0.000 1.182 84 M CA -0.544 54.800 55.300 0.074 0.000 0.974 84 M CB 0.101 32.744 32.600 0.071 0.000 1.452 84 M HN 0.400 nan 8.290 nan 0.000 0.507 85 R N 0.603 121.154 120.500 0.084 0.000 2.193 85 R HA -0.126 4.214 4.340 -0.000 0.000 0.229 85 R C 0.448 176.773 176.300 0.041 0.000 1.110 85 R CA 1.763 57.900 56.100 0.061 0.000 0.988 85 R CB -0.494 29.828 30.300 0.036 0.000 0.871 85 R HN 0.665 nan 8.270 nan 0.000 0.458 86 D N -0.919 119.506 120.400 0.041 0.000 2.369 86 D HA 0.115 4.755 4.640 -0.000 0.000 0.211 86 D C 1.141 177.462 176.300 0.036 0.000 1.077 86 D CA 0.541 54.562 54.000 0.034 0.000 0.842 86 D CB 0.649 41.470 40.800 0.035 0.000 0.947 86 D HN 0.394 nan 8.370 nan 0.000 0.509 87 G N -0.038 108.786 108.800 0.041 0.000 2.254 87 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.225 87 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.225 87 G C 0.241 175.163 174.900 0.036 0.000 1.003 87 G CA 0.035 45.158 45.100 0.038 0.000 0.622 87 G HN 0.347 nan 8.290 nan 0.000 0.507 88 V N 2.233 122.171 119.914 0.039 0.000 2.673 88 V HA 0.319 4.439 4.120 -0.000 0.000 0.303 88 V C 0.715 176.828 176.094 0.031 0.000 1.046 88 V CA 0.633 62.956 62.300 0.040 0.000 1.126 88 V CB 1.167 33.021 31.823 0.051 0.000 0.934 88 V HN 0.379 nan 8.190 nan 0.000 0.487 89 K N 5.742 126.157 120.400 0.026 0.000 2.206 89 K HA 0.642 4.962 4.320 -0.000 0.000 0.264 89 K C -1.053 175.559 176.600 0.021 0.000 0.967 89 K CA -0.534 55.756 56.287 0.005 0.000 0.844 89 K CB 1.650 34.151 32.500 0.001 0.000 1.099 89 K HN 0.479 nan 8.250 nan 0.000 0.441 90 L N 3.152 124.371 121.223 -0.007 0.000 2.307 90 L HA 0.343 4.683 4.340 -0.000 0.000 0.284 90 L C -0.396 176.489 176.870 0.026 0.000 1.023 90 L CA -1.190 53.668 54.840 0.030 0.000 0.810 90 L CB 0.611 42.683 42.059 0.023 0.000 1.231 90 L HN 0.570 nan 8.230 nan 0.000 0.423 91 Y N 2.585 122.873 120.300 -0.020 0.000 2.496 91 Y HA 0.159 4.709 4.550 -0.000 0.000 0.334 91 Y C -0.148 175.740 175.900 -0.020 0.000 1.080 91 Y CA 0.232 58.320 58.100 -0.020 0.000 1.355 91 Y CB 0.630 39.099 38.460 0.015 0.000 1.193 91 Y HN 0.497 nan 8.280 nan 0.000 0.523 92 T N 6.261 120.461 114.554 -0.590 0.000 2.848 92 T HA 0.526 4.876 4.350 -0.000 0.000 0.285 92 T C -1.235 173.172 174.700 -0.488 0.000 0.995 92 T CA -0.715 61.134 62.100 -0.419 0.000 0.970 92 T CB 1.286 69.964 68.868 -0.317 0.000 0.976 92 T HN 0.375 nan 8.240 nan 0.000 0.441 93 V N 4.188 123.955 119.914 -0.244 0.000 2.409 93 V HA 0.547 4.667 4.120 -0.000 0.000 0.291 93 V C -0.622 175.479 176.094 0.012 0.000 1.020 93 V CA -0.803 61.428 62.300 -0.115 0.000 0.848 93 V CB 1.201 33.028 31.823 0.007 0.000 0.990 93 V HN 0.776 nan 8.190 nan 0.000 0.430 94 I N 5.170 125.755 120.570 0.024 0.000 2.362 94 I HA 0.458 4.628 4.170 -0.000 0.000 0.289 94 I C -0.322 175.848 176.117 0.087 0.000 0.994 94 I CA -0.445 60.890 61.300 0.059 0.000 1.158 94 I CB 1.969 40.014 38.000 0.074 0.000 1.315 94 I HN 0.301 nan 8.210 nan 0.000 0.451 95 V N 7.594 127.560 119.914 0.087 0.000 2.328 95 V HA 0.477 4.597 4.120 -0.000 0.000 0.278 95 V C 0.006 176.157 176.094 0.096 0.000 1.021 95 V CA -0.419 61.942 62.300 0.101 0.000 0.838 95 V CB 1.084 32.927 31.823 0.034 0.000 0.999 95 V HN 0.473 nan 8.190 nan 0.000 0.447 96 I N 7.157 127.807 120.570 0.134 0.000 2.406 96 I HA 0.429 4.599 4.170 -0.000 0.000 0.290 96 I C -2.475 173.723 176.117 0.136 0.000 0.999 96 I CA -2.283 59.081 61.300 0.107 0.000 1.124 96 I CB 2.464 40.512 38.000 0.081 0.000 1.289 96 I HN 0.389 nan 8.210 nan 0.000 0.441 97 P HA 0.094 nan 4.420 nan 0.000 0.268 97 P C -0.644 176.707 177.300 0.084 0.000 1.205 97 P CA -0.360 62.809 63.100 0.114 0.000 0.771 97 P CB 0.498 32.247 31.700 0.082 0.000 0.858 98 K N 2.337 122.785 120.400 0.081 0.000 2.469 98 K HA -0.044 4.276 4.320 -0.000 0.000 0.274 98 K C 0.569 177.187 176.600 0.029 0.000 0.983 98 K CA 0.568 56.881 56.287 0.043 0.000 0.974 98 K CB -0.474 32.041 32.500 0.026 0.000 0.913 98 K HN 0.435 nan 8.250 nan 0.000 0.493 99 N N -0.518 118.192 118.700 0.016 0.000 2.693 99 N HA -0.257 4.483 4.740 -0.000 0.000 0.249 99 N C -1.151 174.362 175.510 0.005 0.000 1.119 99 N CA 0.656 53.710 53.050 0.007 0.000 0.717 99 N CB -0.721 37.769 38.487 0.006 0.000 1.071 99 N HN 0.617 nan 8.380 nan 0.000 0.555 100 A N 0.639 123.465 122.820 0.009 0.000 2.409 100 A HA 0.559 4.879 4.320 -0.000 0.000 0.262 100 A C 0.568 178.143 177.584 -0.016 0.000 1.113 100 A CA 0.175 52.212 52.037 -0.000 0.000 0.790 100 A CB 0.541 19.547 19.000 0.009 0.000 1.046 100 A HN 0.354 nan 8.150 nan 0.000 0.496 101 R N 2.014 122.497 120.500 -0.028 0.000 2.533 101 R HA 0.367 4.707 4.340 -0.000 0.000 0.288 101 R C -0.625 175.643 176.300 -0.053 0.000 1.039 101 R CA -0.388 55.689 56.100 -0.037 0.000 0.909 101 R CB 0.682 30.964 30.300 -0.031 0.000 1.195 101 R HN 0.974 nan 8.270 nan 0.000 0.438 102 N N 0.835 119.496 118.700 -0.064 0.000 2.740 102 N HA -0.249 4.491 4.740 -0.000 0.000 0.248 102 N C -1.122 174.324 175.510 -0.106 0.000 1.062 102 N CA 0.782 53.783 53.050 -0.082 0.000 0.704 102 N CB -0.590 37.853 38.487 -0.074 0.000 0.968 102 N HN 0.582 nan 8.380 nan 0.000 0.547 103 A N 0.303 123.057 122.820 -0.110 0.000 2.310 103 A HA 0.649 4.969 4.320 -0.000 0.000 0.299 103 A C -1.943 175.523 177.584 -0.197 0.000 1.147 103 A CA -1.315 50.627 52.037 -0.157 0.000 0.818 103 A CB 0.803 19.738 19.000 -0.109 0.000 1.096 103 A HN 0.066 nan 8.150 nan 0.000 0.495 104 P HA 0.342 nan 4.420 nan 0.000 0.274 104 P C -0.693 176.498 177.300 -0.182 0.000 1.246 104 P CA 0.019 62.936 63.100 -0.305 0.000 0.795 104 P CB 0.722 32.118 31.700 -0.507 0.000 1.006 105 I N 1.074 121.601 120.570 -0.072 0.000 2.460 105 I HA 0.313 4.483 4.170 -0.000 0.000 0.298 105 I C 0.032 176.178 176.117 0.048 0.000 0.989 105 I CA -0.961 60.334 61.300 -0.008 0.000 1.173 105 I CB 1.558 39.531 38.000 -0.045 0.000 1.338 105 I HN 0.153 nan 8.210 nan 0.000 0.456 106 L N 7.280 128.510 121.223 0.011 0.000 2.319 106 L HA 0.541 4.881 4.340 -0.000 0.000 0.281 106 L C -1.187 175.573 176.870 -0.183 0.000 1.005 106 L CA -0.417 54.359 54.840 -0.105 0.000 0.828 106 L CB 1.413 43.266 42.059 -0.345 0.000 1.227 106 L HN 0.461 nan 8.230 nan 0.000 0.415 107 L N 4.607 125.743 121.223 -0.146 0.000 2.329 107 L HA 0.813 5.153 4.340 -0.000 0.000 0.279 107 L C -0.662 176.102 176.870 -0.176 0.000 1.014 107 L CA 0.385 55.122 54.840 -0.172 0.000 0.814 107 L CB 2.145 44.149 42.059 -0.092 0.000 1.257 107 L HN 0.663 nan 8.230 nan 0.000 0.424 108 T N 4.651 119.057 114.554 -0.246 0.000 2.886 108 T HA 0.570 4.920 4.350 -0.000 0.000 0.292 108 T C -0.771 173.943 174.700 0.024 0.000 1.012 108 T CA -0.633 61.395 62.100 -0.121 0.000 0.982 108 T CB 1.361 70.103 68.868 -0.210 0.000 1.018 108 T HN 0.537 nan 8.240 nan 0.000 0.451 109 R N 1.568 122.137 120.500 0.115 0.000 2.343 109 R HA 0.720 5.060 4.340 -0.000 0.000 0.320 109 R C -0.447 175.986 176.300 0.221 0.000 0.956 109 R CA -0.767 55.429 56.100 0.161 0.000 0.836 109 R CB 1.785 32.174 30.300 0.149 0.000 1.151 109 R HN 0.538 nan 8.270 nan 0.000 0.450 110 T N 2.174 116.846 114.554 0.197 0.000 2.909 110 T HA 0.428 4.778 4.350 -0.000 0.000 0.299 110 T C -2.341 172.331 174.700 -0.048 0.000 1.073 110 T CA -2.102 60.075 62.100 0.128 0.000 0.999 110 T CB 1.847 70.847 68.868 0.219 0.000 1.098 110 T HN 0.341 nan 8.240 nan 0.000 0.477 111 P HA 0.244 nan 4.420 nan 0.000 0.266 111 P C -0.447 176.613 177.300 -0.400 0.000 1.381 111 P CA -0.044 62.747 63.100 -0.515 0.000 0.940 111 P CB -0.106 30.971 31.700 -1.038 0.000 1.435 112 Y N 0.478 120.769 120.300 -0.016 0.000 2.774 112 Y HA 0.312 4.862 4.550 -0.000 0.000 0.305 112 Y C 0.510 176.194 175.900 -0.359 0.000 1.067 112 Y CA -1.525 56.526 58.100 -0.083 0.000 1.304 112 Y CB -1.183 37.277 38.460 0.001 0.000 1.209 112 Y HN 0.075 nan 8.280 nan 0.000 0.543 113 N N 0.315 118.671 118.700 -0.574 0.000 2.469 113 N HA -0.215 4.525 4.740 -0.000 0.000 0.283 113 N C 0.898 176.212 175.510 -0.326 0.000 1.326 113 N CA 0.216 52.745 53.050 -0.868 0.000 0.646 113 N CB -0.212 37.541 38.487 -1.222 0.000 0.894 113 N HN 0.510 nan 8.380 nan 0.000 0.533 114 A N 3.685 126.439 122.820 -0.111 0.000 1.908 114 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 114 A C 1.950 179.518 177.584 -0.027 0.000 1.181 114 A CA 1.966 54.008 52.037 0.008 0.000 0.627 114 A CB -0.326 18.806 19.000 0.220 0.000 0.818 114 A HN 0.778 nan 8.150 nan 0.000 0.445 115 K N -0.790 119.652 120.400 0.070 0.000 2.063 115 K HA -0.142 4.178 4.320 -0.000 0.000 0.208 115 K C 1.938 178.504 176.600 -0.057 0.000 1.048 115 K CA 1.553 57.891 56.287 0.085 0.000 0.928 115 K CB -0.479 32.055 32.500 0.056 0.000 0.713 115 K HN 0.416 nan 8.250 nan 0.000 0.442 116 G N 0.468 109.182 108.800 -0.142 0.000 2.430 116 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.216 116 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.216 116 G C 1.412 176.187 174.900 -0.209 0.000 1.146 116 G CA -0.063 44.944 45.100 -0.155 0.000 0.793 116 G HN 0.137 nan 8.290 nan 0.000 0.537 117 R N 0.941 121.244 120.500 -0.330 0.000 2.092 117 R HA 0.047 4.387 4.340 -0.000 0.000 0.231 117 R C 2.287 178.186 176.300 -0.669 0.000 1.119 117 R CA 1.078 56.841 56.100 -0.562 0.000 0.970 117 R CB -0.734 29.017 30.300 -0.914 0.000 0.864 117 R HN 0.312 nan 8.270 nan 0.000 0.440 118 A N 0.902 123.410 122.820 -0.520 0.000 2.411 118 A HA 0.115 4.435 4.320 -0.000 0.000 0.251 118 A C 0.230 177.743 177.584 -0.117 0.000 1.317 118 A CA -0.056 51.832 52.037 -0.249 0.000 0.904 118 A CB -0.097 18.873 19.000 -0.051 0.000 0.993 118 A HN 0.087 nan 8.150 nan 0.000 0.504 119 N N -0.052 118.574 118.700 -0.124 0.000 2.628 119 N HA 0.092 4.832 4.740 -0.000 0.000 0.299 119 N C 1.057 176.533 175.510 -0.056 0.000 1.834 119 N CA -0.273 52.742 53.050 -0.059 0.000 0.871 119 N CB 0.180 38.648 38.487 -0.032 0.000 1.377 119 N HN 0.407 nan 8.380 nan 0.000 0.493 120 R N -0.194 120.268 120.500 -0.064 0.000 2.112 120 R HA -0.042 4.298 4.340 -0.000 0.000 0.242 120 R C -0.200 176.090 176.300 -0.015 0.000 1.137 120 R CA 1.361 57.439 56.100 -0.037 0.000 0.944 120 R CB -0.001 30.283 30.300 -0.026 0.000 0.857 120 R HN -0.016 nan 8.270 nan 0.000 0.435 121 V N 4.307 124.217 119.914 -0.008 0.000 2.313 121 V HA 0.243 4.363 4.120 -0.000 0.000 0.278 121 V C -2.241 173.864 176.094 0.019 0.000 1.017 121 V CA -1.841 60.465 62.300 0.009 0.000 0.823 121 V CB 1.504 33.337 31.823 0.017 0.000 1.010 121 V HN 0.235 nan 8.190 nan 0.000 0.443 122 P HA -0.009 nan 4.420 nan 0.000 0.258 122 P C 0.271 177.603 177.300 0.054 0.000 1.172 122 P CA 0.610 63.727 63.100 0.028 0.000 0.762 122 P CB -0.151 31.561 31.700 0.019 0.000 0.764 123 N N -0.360 118.390 118.700 0.084 0.000 2.721 123 N HA -0.203 4.537 4.740 -0.000 0.000 0.249 123 N C 0.267 175.857 175.510 0.134 0.000 1.072 123 N CA 0.356 53.477 53.050 0.119 0.000 0.710 123 N CB -1.328 37.203 38.487 0.073 0.000 0.993 123 N HN 0.616 nan 8.380 nan 0.000 0.547 124 A N -0.083 122.828 122.820 0.153 0.000 2.429 124 A HA 0.294 4.614 4.320 -0.000 0.000 0.242 124 A C 1.400 179.116 177.584 0.219 0.000 1.088 124 A CA -0.030 52.093 52.037 0.144 0.000 0.784 124 A CB 0.299 19.362 19.000 0.105 0.000 1.038 124 A HN 0.336 nan 8.150 nan 0.000 0.501 125 L N 0.030 121.342 121.223 0.149 0.000 2.341 125 L HA 0.051 4.391 4.340 -0.000 0.000 0.214 125 L C 1.362 178.361 176.870 0.214 0.000 1.115 125 L CA 1.259 56.175 54.840 0.127 0.000 0.820 125 L CB -0.625 41.471 42.059 0.061 0.000 0.944 125 L HN 0.918 nan 8.230 nan 0.000 0.452 126 T N -4.597 110.095 114.554 0.230 0.000 2.912 126 T HA 0.282 4.632 4.350 -0.000 0.000 0.288 126 T C 0.602 175.397 174.700 0.158 0.000 1.030 126 T CA -0.696 61.535 62.100 0.218 0.000 1.020 126 T CB 2.368 71.299 68.868 0.105 0.000 1.056 126 T HN -0.012 nan 8.240 nan 0.000 0.480 127 M N 0.571 120.225 119.600 0.090 0.000 2.175 127 M HA 0.053 4.533 4.480 -0.000 0.000 0.264 127 M C 2.373 178.599 176.300 -0.123 0.000 1.063 127 M CA 1.312 56.489 55.300 -0.205 0.000 1.119 127 M CB -0.214 32.337 32.600 -0.083 0.000 1.377 127 M HN 0.747 nan 8.290 nan 0.000 0.415 128 R N 0.759 121.241 120.500 -0.029 0.000 2.105 128 R HA -0.159 4.181 4.340 -0.000 0.000 0.239 128 R C 1.592 177.878 176.300 -0.023 0.000 1.135 128 R CA 2.191 58.280 56.100 -0.018 0.000 0.967 128 R CB -0.394 29.907 30.300 0.002 0.000 0.861 128 R HN 0.529 nan 8.270 nan 0.000 0.442 129 E N -1.046 119.145 120.200 -0.015 0.000 2.112 129 E HA -0.089 4.261 4.350 -0.000 0.000 0.190 129 E C 1.838 178.419 176.600 -0.032 0.000 0.979 129 E CA 1.088 57.484 56.400 -0.007 0.000 0.814 129 E CB -0.010 29.703 29.700 0.022 0.000 0.762 129 E HN 0.127 nan 8.360 nan 0.000 0.460 130 V N 1.184 121.046 119.914 -0.087 0.000 2.667 130 V HA -0.040 4.080 4.120 -0.000 0.000 0.252 130 V C 0.855 176.884 176.094 -0.109 0.000 1.065 130 V CA 0.779 63.006 62.300 -0.123 0.000 1.083 130 V CB 0.016 31.670 31.823 -0.282 0.000 0.692 130 V HN 0.065 nan 8.190 nan 0.000 0.468 131 L N 0.493 121.661 121.223 -0.090 0.000 2.375 131 L HA 0.420 4.760 4.340 -0.000 0.000 0.268 131 L C -2.124 174.742 176.870 -0.005 0.000 1.058 131 L CA -2.005 52.823 54.840 -0.020 0.000 0.803 131 L CB 0.862 42.930 42.059 0.016 0.000 1.212 131 L HN -0.002 nan 8.230 nan 0.000 0.451 132 P HA -0.046 nan 4.420 nan 0.000 0.271 132 P C -0.022 177.271 177.300 -0.012 0.000 1.238 132 P CA -0.194 62.910 63.100 0.007 0.000 0.794 132 P CB 0.461 32.173 31.700 0.021 0.000 0.959 133 Q N 0.730 120.508 119.800 -0.036 0.000 2.124 133 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 133 Q C 1.943 177.891 176.000 -0.086 0.000 0.977 133 Q CA 2.042 57.817 55.803 -0.047 0.000 0.850 133 Q CB -0.982 27.748 28.738 -0.014 0.000 0.901 133 Q HN 0.679 nan 8.270 nan 0.000 0.429 134 G N -0.153 108.552 108.800 -0.157 0.000 2.559 134 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.216 134 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.216 134 G C 0.481 175.363 174.900 -0.030 0.000 1.126 134 G CA 0.701 45.727 45.100 -0.123 0.000 0.778 134 G HN 0.350 nan 8.290 nan 0.000 0.543 135 D N 0.711 121.109 120.400 -0.003 0.000 2.339 135 D HA 0.033 4.673 4.640 -0.000 0.000 0.217 135 D C 2.010 178.310 176.300 -0.000 0.000 1.050 135 D CA 0.435 54.465 54.000 0.051 0.000 0.856 135 D CB 0.114 40.948 40.800 0.057 0.000 0.922 135 D HN 0.387 nan 8.370 nan 0.000 0.518 136 D N 1.025 121.398 120.400 -0.044 0.000 2.154 136 D HA -0.219 4.421 4.640 -0.000 0.000 0.190 136 D C 2.008 178.231 176.300 -0.128 0.000 1.003 136 D CA 2.000 55.967 54.000 -0.055 0.000 0.849 136 D CB -0.916 39.872 40.800 -0.020 0.000 0.942 136 D HN 0.272 nan 8.370 nan 0.000 0.446 137 V N -2.687 117.053 119.914 -0.291 0.000 2.759 137 V HA -0.070 4.050 4.120 -0.000 0.000 0.256 137 V C 2.324 178.050 176.094 -0.614 0.000 1.080 137 V CA 1.093 63.101 62.300 -0.487 0.000 1.101 137 V CB -1.211 30.167 31.823 -0.742 0.000 0.698 137 V HN -0.006 nan 8.190 nan 0.000 0.477 138 F N 0.397 120.139 119.950 -0.347 0.000 2.335 138 F HA 0.141 4.668 4.527 -0.000 0.000 0.296 138 F C 2.393 178.126 175.800 -0.112 0.000 1.091 138 F CA 1.194 58.949 58.000 -0.409 0.000 1.399 138 F CB -0.712 37.901 39.000 -0.645 0.000 1.067 138 F HN -0.017 nan 8.300 nan 0.000 0.520 139 V N 0.099 120.044 119.914 0.050 0.000 2.343 139 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 139 V C 2.010 178.132 176.094 0.046 0.000 1.051 139 V CA 1.922 64.255 62.300 0.056 0.000 1.036 139 V CB -0.612 31.221 31.823 0.017 0.000 0.654 139 V HN 0.317 nan 8.190 nan 0.000 0.451 140 E N 0.281 120.479 120.200 -0.004 0.000 2.274 140 E HA -0.076 4.274 4.350 -0.000 0.000 0.194 140 E C 2.141 178.752 176.600 0.019 0.000 0.996 140 E CA 0.934 57.330 56.400 -0.007 0.000 0.840 140 E CB -0.265 29.408 29.700 -0.044 0.000 0.772 140 E HN 0.640 nan 8.360 nan 0.000 0.491 141 G N -0.216 108.619 108.800 0.058 0.000 3.042 141 G HA2 0.161 4.121 3.960 -0.000 0.000 0.212 141 G HA3 0.161 4.121 3.960 -0.000 0.000 0.212 141 G C 1.024 176.055 174.900 0.218 0.000 1.166 141 G CA 0.154 45.351 45.100 0.162 0.000 0.767 141 G HN 0.352 nan 8.290 nan 0.000 0.546 142 G N -1.108 107.805 108.800 0.187 0.000 2.147 142 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.244 142 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.244 142 G C 0.133 175.111 174.900 0.130 0.000 1.005 142 G CA -0.001 45.172 45.100 0.122 0.000 0.713 142 G HN 0.361 nan 8.290 nan 0.000 0.515 143 Y N -0.422 119.909 120.300 0.052 0.000 2.379 143 Y HA 0.536 5.086 4.550 -0.000 0.000 0.337 143 Y C 1.513 177.418 175.900 0.009 0.000 1.238 143 Y CA -0.485 57.638 58.100 0.038 0.000 1.405 143 Y CB 0.545 39.045 38.460 0.066 0.000 1.310 143 Y HN 0.173 nan 8.280 nan 0.000 0.569 144 I N 3.368 124.007 120.570 0.114 0.000 2.365 144 I HA 0.273 4.443 4.170 -0.000 0.000 0.291 144 I C -0.115 176.032 176.117 0.050 0.000 1.004 144 I CA -0.598 60.739 61.300 0.062 0.000 1.311 144 I CB 1.080 39.090 38.000 0.018 0.000 1.401 144 I HN 0.416 nan 8.210 nan 0.000 0.491 145 R N 5.205 125.718 120.500 0.022 0.000 2.514 145 R HA 0.690 5.030 4.340 -0.000 0.000 0.301 145 R C -1.691 174.574 176.300 -0.059 0.000 0.962 145 R CA -0.470 55.599 56.100 -0.053 0.000 0.882 145 R CB 1.499 31.781 30.300 -0.029 0.000 1.143 145 R HN 0.386 nan 8.270 nan 0.000 0.452 146 V N 5.241 125.053 119.914 -0.171 0.000 2.577 146 V HA 0.541 4.661 4.120 -0.000 0.000 0.303 146 V C -1.060 174.875 176.094 -0.265 0.000 1.042 146 V CA -0.625 61.604 62.300 -0.119 0.000 0.872 146 V CB 1.597 33.378 31.823 -0.070 0.000 0.998 146 V HN 0.623 nan 8.190 nan 0.000 0.423 147 F N 2.861 122.801 119.950 -0.016 0.000 2.507 147 F HA 0.648 5.175 4.527 -0.000 0.000 0.325 147 F C 0.087 175.882 175.800 -0.009 0.000 1.116 147 F CA -0.298 57.703 58.000 0.002 0.000 0.930 147 F CB 2.054 41.062 39.000 0.014 0.000 1.146 147 F HN 0.421 nan 8.300 nan 0.000 0.447 148 Q N 2.582 122.499 119.800 0.195 0.000 2.347 148 Q HA 0.289 4.629 4.340 -0.000 0.000 0.271 148 Q C -1.724 174.376 176.000 0.166 0.000 1.064 148 Q CA -0.965 54.910 55.803 0.121 0.000 0.800 148 Q CB 1.975 30.746 28.738 0.055 0.000 1.304 148 Q HN 0.491 nan 8.270 nan 0.000 0.438 149 D N 3.970 124.480 120.400 0.183 0.000 2.312 149 D HA 0.216 4.856 4.640 -0.000 0.000 0.252 149 D C 0.457 176.843 176.300 0.144 0.000 1.150 149 D CA -0.017 54.088 54.000 0.175 0.000 0.870 149 D CB 0.623 41.560 40.800 0.229 0.000 1.153 149 D HN 0.539 nan 8.370 nan 0.000 0.457 150 I N -0.905 119.743 120.570 0.131 0.000 3.269 150 I HA 0.231 4.401 4.170 -0.000 0.000 0.287 150 I C 0.853 177.066 176.117 0.160 0.000 1.152 150 I CA -0.896 60.502 61.300 0.163 0.000 1.263 150 I CB 0.625 38.761 38.000 0.227 0.000 1.439 150 I HN 0.127 nan 8.210 nan 0.000 0.637 151 R N 1.958 122.572 120.500 0.191 0.000 2.504 151 R HA 0.125 4.465 4.340 -0.000 0.000 0.291 151 R C 0.948 177.381 176.300 0.223 0.000 0.974 151 R CA 1.296 57.505 56.100 0.181 0.000 1.077 151 R CB -0.285 30.123 30.300 0.179 0.000 0.926 151 R HN 1.133 nan 8.270 nan 0.000 0.407 152 G N 2.990 111.877 108.800 0.144 0.000 2.157 152 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.248 152 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.248 152 G C -0.412 174.465 174.900 -0.037 0.000 0.979 152 G CA 0.167 45.340 45.100 0.122 0.000 0.650 152 G HN 0.515 nan 8.290 nan 0.000 0.529 153 K N -0.853 119.502 120.400 -0.074 0.000 2.318 153 K HA 0.666 4.986 4.320 -0.000 0.000 0.249 153 K C 0.941 177.532 176.600 -0.016 0.000 0.942 153 K CA -0.833 55.347 56.287 -0.180 0.000 0.808 153 K CB 1.470 33.840 32.500 -0.215 0.000 1.189 153 K HN 0.140 nan 8.250 nan 0.000 0.428 154 Y N 0.258 120.483 120.300 -0.126 0.000 2.746 154 Y HA -0.450 4.100 4.550 -0.000 0.000 0.475 154 Y C 1.808 177.626 175.900 -0.136 0.000 1.088 154 Y CA 2.248 60.275 58.100 -0.122 0.000 2.897 154 Y CB -1.466 36.924 38.460 -0.116 0.000 1.110 154 Y HN 0.817 nan 8.280 nan 0.000 0.609 155 G N -0.200 108.601 108.800 0.002 0.000 2.920 155 G HA2 0.235 4.195 3.960 -0.000 0.000 0.208 155 G HA3 0.235 4.195 3.960 -0.000 0.000 0.208 155 G C 0.103 175.030 174.900 0.046 0.000 1.159 155 G CA 0.720 45.735 45.100 -0.142 0.000 0.784 155 G HN 0.278 nan 8.290 nan 0.000 0.535 156 S N 0.158 115.913 115.700 0.091 0.000 2.616 156 S HA 0.410 4.880 4.470 -0.000 0.000 0.277 156 S C 0.197 174.830 174.600 0.055 0.000 1.234 156 S CA -0.541 57.718 58.200 0.097 0.000 1.028 156 S CB 1.649 64.917 63.200 0.113 0.000 0.988 156 S HN 0.423 nan 8.310 nan 0.000 0.522 157 Q N 0.354 120.187 119.800 0.056 0.000 2.222 157 Q HA 0.661 5.001 4.340 -0.000 0.000 0.211 157 Q C 0.596 176.631 176.000 0.057 0.000 1.013 157 Q CA -0.321 55.508 55.803 0.044 0.000 0.993 157 Q CB 0.613 29.374 28.738 0.039 0.000 1.151 157 Q HN 0.972 nan 8.270 nan 0.000 0.544 158 G N 0.472 109.304 108.800 0.054 0.000 2.655 158 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.680 158 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.680 158 G C -1.623 173.325 174.900 0.080 0.000 1.302 158 G CA -0.847 44.294 45.100 0.068 0.000 0.872 158 G HN 0.541 nan 8.290 nan 0.000 0.540 159 D N -0.268 120.186 120.400 0.090 0.000 2.177 159 D HA 0.486 5.126 4.640 -0.000 0.000 0.247 159 D C -0.297 176.099 176.300 0.159 0.000 1.063 159 D CA 0.046 54.105 54.000 0.100 0.000 0.867 159 D CB 1.410 42.251 40.800 0.069 0.000 1.168 159 D HN 0.505 nan 8.370 nan 0.000 0.445 160 Y N 1.710 122.032 120.300 0.037 0.000 2.313 160 Y HA 0.413 4.963 4.550 -0.000 0.000 0.332 160 Y C -0.900 175.042 175.900 0.071 0.000 1.071 160 Y CA -0.462 57.669 58.100 0.051 0.000 1.169 160 Y CB 0.840 39.311 38.460 0.018 0.000 1.192 160 Y HN 0.062 nan 8.280 nan 0.000 0.487 161 V N 8.221 127.818 119.914 -0.527 0.000 2.483 161 V HA 0.179 4.299 4.120 -0.000 0.000 0.297 161 V C -0.154 175.533 176.094 -0.678 0.000 1.027 161 V CA -1.014 61.035 62.300 -0.418 0.000 0.855 161 V CB 1.357 33.119 31.823 -0.101 0.000 0.995 161 V HN 0.895 nan 8.190 nan 0.000 0.424 162 M N 5.442 124.674 119.600 -0.614 0.000 2.260 162 M HA 0.160 4.640 4.480 -0.000 0.000 0.348 162 M C 0.933 177.135 176.300 -0.163 0.000 1.342 162 M CA 0.843 55.865 55.300 -0.464 0.000 1.040 162 M CB -0.229 31.849 32.600 -0.869 0.000 1.810 162 M HN 1.120 nan 8.290 nan 0.000 0.453 163 T N 2.626 117.155 114.554 -0.040 0.000 2.980 163 T HA -0.253 4.097 4.350 -0.000 0.000 0.455 163 T C 0.086 174.830 174.700 0.072 0.000 0.775 163 T CA 0.915 62.833 62.100 -0.303 0.000 2.318 163 T CB -1.478 67.163 68.868 -0.378 0.000 1.636 163 T HN 0.946 nan 8.240 nan 0.000 0.543 164 R N 2.514 123.146 120.500 0.220 0.000 2.473 164 R HA 0.204 4.544 4.340 -0.000 0.000 0.315 164 R C -2.023 174.440 176.300 0.270 0.000 0.972 164 R CA -1.371 54.856 56.100 0.211 0.000 1.047 164 R CB 0.239 30.665 30.300 0.210 0.000 0.932 164 R HN 0.343 nan 8.270 nan 0.000 0.411 165 P HA 0.057 nan 4.420 nan 0.000 0.268 165 P C -2.476 174.894 177.300 0.116 0.000 1.208 165 P CA -1.016 62.154 63.100 0.116 0.000 0.777 165 P CB 0.206 31.907 31.700 0.003 0.000 0.875 166 P HA 0.053 nan 4.420 nan 0.000 0.274 166 P C -0.348 177.008 177.300 0.093 0.000 1.246 166 P CA -0.086 63.074 63.100 0.100 0.000 0.795 166 P CB 0.153 31.904 31.700 0.085 0.000 1.006 167 H N -0.224 118.863 119.070 0.029 0.000 3.094 167 H HA 0.351 4.907 4.556 -0.000 0.000 0.320 167 H C 0.810 176.143 175.328 0.009 0.000 1.000 167 H CA 2.413 58.471 56.048 0.017 0.000 1.413 167 H CB -0.536 29.231 29.762 0.009 0.000 1.405 167 H HN 0.797 nan 8.280 nan 0.000 0.586 168 G N 3.789 112.287 108.800 -0.503 0.000 2.356 168 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.266 168 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.266 168 G C -2.101 172.650 174.900 -0.248 0.000 1.312 168 G CA -0.368 44.532 45.100 -0.333 0.000 0.922 168 G HN 0.460 nan 8.290 nan 0.000 0.480 169 P HA 0.008 nan 4.420 nan 0.000 0.218 169 P C 1.676 178.922 177.300 -0.090 0.000 1.148 169 P CA 1.077 64.111 63.100 -0.109 0.000 0.822 169 P CB 0.109 31.757 31.700 -0.087 0.000 0.784 170 L N -1.926 119.240 121.223 -0.094 0.000 2.592 170 L HA 0.187 4.527 4.340 -0.000 0.000 0.227 170 L C 0.809 177.657 176.870 -0.037 0.000 1.127 170 L CA 0.211 55.012 54.840 -0.065 0.000 0.884 170 L CB -0.399 41.591 42.059 -0.114 0.000 1.065 170 L HN -0.006 nan 8.230 nan 0.000 0.457 171 N N 0.239 118.903 118.700 -0.059 0.000 2.732 171 N HA 0.149 4.889 4.740 -0.000 0.000 0.247 171 N C -2.422 173.056 175.510 -0.054 0.000 1.305 171 N CA -1.188 51.851 53.050 -0.018 0.000 0.762 171 N CB 1.349 39.855 38.487 0.032 0.000 1.361 171 N HN -0.235 nan 8.380 nan 0.000 0.545 172 P HA 0.083 nan 4.420 nan 0.000 0.255 172 P C 0.364 177.725 177.300 0.101 0.000 1.301 172 P CA 0.185 63.268 63.100 -0.028 0.000 0.817 172 P CB -0.176 31.511 31.700 -0.023 0.000 1.259 173 T N -2.527 112.102 114.554 0.124 0.000 2.788 173 T HA 0.224 4.574 4.350 -0.000 0.000 0.280 173 T C 1.175 175.970 174.700 0.158 0.000 0.984 173 T CA -0.476 61.697 62.100 0.122 0.000 0.972 173 T CB 1.018 69.939 68.868 0.088 0.000 1.039 173 T HN -0.192 nan 8.240 nan 0.000 0.530 174 K N 0.589 121.031 120.400 0.069 0.000 2.459 174 K HA 0.112 4.432 4.320 -0.000 0.000 0.193 174 K C 1.016 177.609 176.600 -0.012 0.000 1.030 174 K CA 0.348 56.632 56.287 -0.006 0.000 1.026 174 K CB -0.195 32.293 32.500 -0.019 0.000 0.809 174 K HN 0.914 nan 8.250 nan 0.000 0.504 175 T N -0.645 113.936 114.554 0.045 0.000 2.906 175 T HA 0.532 4.882 4.350 -0.000 0.000 0.295 175 T C -0.828 173.927 174.700 0.091 0.000 1.075 175 T CA -0.911 61.221 62.100 0.053 0.000 1.005 175 T CB 2.672 71.577 68.868 0.061 0.000 1.136 175 T HN 0.052 nan 8.240 nan 0.000 0.498 176 D N -0.462 119.995 120.400 0.096 0.000 2.838 176 D HA 0.272 4.912 4.640 -0.000 0.000 0.334 176 D C 0.555 176.930 176.300 0.126 0.000 1.315 176 D CA -0.671 53.401 54.000 0.120 0.000 0.917 176 D CB 0.079 40.954 40.800 0.125 0.000 1.435 176 D HN 0.356 nan 8.370 nan 0.000 0.517 177 E N -0.550 119.730 120.200 0.133 0.000 2.268 177 E HA -0.039 4.311 4.350 -0.000 0.000 0.195 177 E C 1.456 178.111 176.600 0.093 0.000 0.995 177 E CA 1.244 57.719 56.400 0.125 0.000 0.836 177 E CB -0.361 29.402 29.700 0.106 0.000 0.763 177 E HN 0.568 nan 8.360 nan 0.000 0.491 178 T N 0.554 115.158 114.554 0.084 0.000 2.809 178 T HA -0.103 4.247 4.350 -0.000 0.000 0.260 178 T C 2.134 176.929 174.700 0.158 0.000 1.039 178 T CA 1.895 64.057 62.100 0.102 0.000 1.141 178 T CB -0.323 68.594 68.868 0.082 0.000 0.869 178 T HN 0.395 nan 8.240 nan 0.000 0.437 179 T N 0.544 115.171 114.554 0.122 0.000 2.904 179 T HA -0.093 4.257 4.350 -0.000 0.000 0.267 179 T C 1.518 176.341 174.700 0.206 0.000 1.059 179 T CA 1.073 63.253 62.100 0.133 0.000 1.137 179 T CB -0.429 68.460 68.868 0.035 0.000 0.879 179 T HN 0.106 nan 8.240 nan 0.000 0.467 180 D N 2.087 122.585 120.400 0.164 0.000 2.117 180 D HA 0.069 4.709 4.640 -0.000 0.000 0.197 180 D C 2.459 178.859 176.300 0.166 0.000 0.987 180 D CA 1.502 55.595 54.000 0.155 0.000 0.829 180 D CB -0.672 40.211 40.800 0.138 0.000 0.961 180 D HN 0.570 nan 8.370 nan 0.000 0.460 181 A N -0.252 122.669 122.820 0.168 0.000 1.930 181 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 181 A C 2.174 179.860 177.584 0.169 0.000 1.175 181 A CA 1.178 53.297 52.037 0.137 0.000 0.627 181 A CB -1.165 17.904 19.000 0.115 0.000 0.815 181 A HN 0.383 nan 8.150 nan 0.000 0.443 182 W N 1.153 122.502 121.300 0.082 0.000 2.354 182 W HA -0.187 4.473 4.660 -0.000 0.000 0.315 182 W C 1.500 178.100 176.519 0.135 0.000 1.206 182 W CA 1.948 59.375 57.345 0.137 0.000 1.290 182 W CB 0.003 29.541 29.460 0.130 0.000 1.152 182 W HN 0.370 nan 8.180 nan 0.000 0.489 183 D N -0.920 119.788 120.400 0.514 0.000 2.178 183 D HA -0.161 4.479 4.640 -0.000 0.000 0.201 183 D C 2.107 178.527 176.300 0.200 0.000 0.980 183 D CA 1.995 56.226 54.000 0.386 0.000 0.842 183 D CB -0.789 40.186 40.800 0.292 0.000 0.948 183 D HN 0.158 nan 8.370 nan 0.000 0.472 184 T N 0.355 114.983 114.554 0.123 0.000 2.737 184 T HA -0.071 4.279 4.350 -0.000 0.000 0.265 184 T C 2.258 176.974 174.700 0.027 0.000 1.038 184 T CA 0.640 62.781 62.100 0.068 0.000 1.144 184 T CB -0.255 68.632 68.868 0.032 0.000 0.866 184 T HN -0.032 nan 8.240 nan 0.000 0.434 185 V N 1.742 121.582 119.914 -0.124 0.000 2.407 185 V HA -0.174 3.946 4.120 -0.000 0.000 0.248 185 V C 2.360 178.148 176.094 -0.511 0.000 1.055 185 V CA 1.895 63.994 62.300 -0.334 0.000 1.049 185 V CB -0.604 30.925 31.823 -0.490 0.000 0.662 185 V HN 0.464 nan 8.190 nan 0.000 0.455 186 D N -1.311 118.761 120.400 -0.547 0.000 2.117 186 D HA -0.257 4.383 4.640 -0.000 0.000 0.197 186 D C 1.858 178.198 176.300 0.067 0.000 0.987 186 D CA 1.588 55.407 54.000 -0.303 0.000 0.829 186 D CB -0.210 40.576 40.800 -0.025 0.000 0.961 186 D HN 0.559 nan 8.370 nan 0.000 0.460 187 W N 0.605 121.876 121.300 -0.048 0.000 2.358 187 W HA -0.075 4.585 4.660 -0.000 0.000 0.303 187 W C 1.982 178.493 176.519 -0.014 0.000 1.208 187 W CA 1.123 58.471 57.345 0.006 0.000 1.274 187 W CB -0.267 29.194 29.460 0.002 0.000 1.138 187 W HN 0.001 nan 8.180 nan 0.000 0.515 188 L N 0.215 121.596 121.223 0.264 0.000 2.012 188 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 188 L C 2.495 179.284 176.870 -0.135 0.000 1.073 188 L CA 1.806 56.714 54.840 0.112 0.000 0.748 188 L CB -1.504 40.602 42.059 0.078 0.000 0.891 188 L HN 0.061 nan 8.230 nan 0.000 0.431 189 V N -4.032 115.772 119.914 -0.184 0.000 2.913 189 V HA -0.208 3.912 4.120 -0.000 0.000 0.260 189 V C 1.646 177.504 176.094 -0.394 0.000 1.098 189 V CA 1.520 63.652 62.300 -0.281 0.000 1.121 189 V CB -0.980 30.649 31.823 -0.323 0.000 0.714 189 V HN 0.462 nan 8.190 nan 0.000 0.487 190 H N 0.300 119.207 119.070 -0.271 0.000 2.648 190 H HA 0.354 4.910 4.556 -0.000 0.000 0.265 190 H C 1.102 176.177 175.328 -0.422 0.000 0.961 190 H CA 0.811 56.685 56.048 -0.289 0.000 1.185 190 H CB 0.225 29.839 29.762 -0.247 0.000 1.449 190 H HN 0.526 nan 8.280 nan 0.000 0.523 191 N N -0.293 118.092 118.700 -0.526 0.000 2.241 191 N HA 0.173 4.913 4.740 -0.000 0.000 0.238 191 N C -1.230 174.018 175.510 -0.437 0.000 1.244 191 N CA 0.070 52.691 53.050 -0.714 0.000 0.880 191 N CB 2.167 39.571 38.487 -1.805 0.000 1.179 191 N HN -0.106 nan 8.380 nan 0.000 0.513 192 V N 1.646 121.406 119.914 -0.256 0.000 2.454 192 V HA 0.258 4.378 4.120 -0.000 0.000 0.267 192 V C -1.871 174.158 176.094 -0.108 0.000 0.993 192 V CA -1.154 61.072 62.300 -0.123 0.000 0.836 192 V CB 1.548 33.334 31.823 -0.062 0.000 1.055 192 V HN -0.032 nan 8.190 nan 0.000 0.452 193 P HA -0.120 nan 4.420 nan 0.000 0.218 193 P C 1.190 178.451 177.300 -0.065 0.000 1.148 193 P CA 1.098 64.150 63.100 -0.080 0.000 0.822 193 P CB 0.471 32.134 31.700 -0.062 0.000 0.784 194 E N -0.352 119.818 120.200 -0.050 0.000 2.347 194 E HA -0.043 4.307 4.350 -0.000 0.000 0.196 194 E C 1.014 177.579 176.600 -0.058 0.000 1.008 194 E CA 0.392 56.766 56.400 -0.042 0.000 0.852 194 E CB -0.466 29.222 29.700 -0.021 0.000 0.783 194 E HN 0.351 nan 8.360 nan 0.000 0.505 195 S N 0.856 116.513 115.700 -0.072 0.000 2.669 195 S HA 0.145 4.615 4.470 -0.000 0.000 0.270 195 S C 0.798 175.335 174.600 -0.104 0.000 1.225 195 S CA -0.550 57.596 58.200 -0.090 0.000 0.991 195 S CB 0.868 64.012 63.200 -0.092 0.000 0.987 195 S HN 0.180 nan 8.310 nan 0.000 0.552 196 N N -0.450 118.180 118.700 -0.117 0.000 2.270 196 N HA 0.212 4.952 4.740 -0.000 0.000 0.198 196 N C 1.144 176.581 175.510 -0.123 0.000 1.117 196 N CA 0.376 53.357 53.050 -0.115 0.000 0.845 196 N CB -0.322 38.095 38.487 -0.116 0.000 0.980 196 N HN 1.338 nan 8.380 nan 0.000 0.486 197 G N 0.337 109.056 108.800 -0.136 0.000 2.162 197 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.260 197 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.260 197 G C -0.395 174.423 174.900 -0.137 0.000 0.976 197 G CA 0.002 45.010 45.100 -0.154 0.000 0.655 197 G HN 0.431 nan 8.290 nan 0.000 0.533 198 R N -0.000 120.425 120.500 -0.124 0.000 2.338 198 R HA 0.636 4.976 4.340 -0.000 0.000 0.317 198 R C -0.565 175.666 176.300 -0.115 0.000 0.968 198 R CA -0.591 55.441 56.100 -0.114 0.000 0.849 198 R CB 2.171 32.406 30.300 -0.108 0.000 1.128 198 R HN 0.158 nan 8.270 nan 0.000 0.448 199 V N 1.359 121.202 119.914 -0.118 0.000 2.555 199 V HA 0.634 4.754 4.120 -0.000 0.000 0.302 199 V C 0.414 176.429 176.094 -0.130 0.000 1.038 199 V CA -0.844 61.390 62.300 -0.109 0.000 0.887 199 V CB 2.137 33.885 31.823 -0.125 0.000 0.991 199 V HN 0.930 nan 8.190 nan 0.000 0.434 200 G N 3.790 112.532 108.800 -0.098 0.000 2.461 200 G HA2 0.731 4.691 3.960 -0.000 0.000 0.323 200 G HA3 0.731 4.691 3.960 -0.000 0.000 0.323 200 G C -0.991 173.922 174.900 0.022 0.000 1.229 200 G CA -0.672 44.329 45.100 -0.164 0.000 0.941 200 G HN 0.525 nan 8.290 nan 0.000 0.477 201 M N 1.111 120.746 119.600 0.057 0.000 2.508 201 M HA 0.623 5.103 4.480 -0.000 0.000 0.327 201 M C -0.070 176.342 176.300 0.188 0.000 1.160 201 M CA -0.556 54.791 55.300 0.079 0.000 0.980 201 M CB 2.741 35.353 32.600 0.020 0.000 1.693 201 M HN 0.601 nan 8.290 nan 0.000 0.452 202 T N 0.721 115.333 114.554 0.097 0.000 2.762 202 T HA 0.877 5.227 4.350 -0.000 0.000 0.301 202 T C -1.408 173.331 174.700 0.065 0.000 1.299 202 T CA 0.013 62.175 62.100 0.102 0.000 1.005 202 T CB 2.085 71.041 68.868 0.147 0.000 1.377 202 T HN 1.037 nan 8.240 nan 0.000 0.504 203 G N 0.881 109.731 108.800 0.083 0.000 2.318 203 G HA2 0.423 4.383 3.960 -0.000 0.000 0.302 203 G HA3 0.423 4.383 3.960 -0.000 0.000 0.302 203 G C -1.138 173.843 174.900 0.135 0.000 1.633 203 G CA 0.109 45.285 45.100 0.127 0.000 0.965 203 G HN 0.811 nan 8.290 nan 0.000 0.698 204 S N 0.027 115.821 115.700 0.157 0.000 2.638 204 S HA 0.852 5.322 4.470 -0.000 0.000 0.298 204 S C 1.227 175.974 174.600 0.245 0.000 1.111 204 S CA 1.303 59.581 58.200 0.130 0.000 1.027 204 S CB 1.431 64.643 63.200 0.019 0.000 1.064 204 S HN 2.492 nan 8.310 nan 0.000 0.525 205 S N 1.493 117.351 115.700 0.264 0.000 4.138 205 S HA -0.343 4.127 4.470 -0.000 0.000 0.574 205 S C 0.945 175.808 174.600 0.438 0.000 1.895 205 S CA 1.755 60.212 58.200 0.428 0.000 4.239 205 S CB -1.969 61.573 63.200 0.570 0.000 0.264 205 S HN 0.988 nan 8.310 nan 0.000 0.489 206 Y N 2.261 122.807 120.300 0.410 0.000 2.293 206 Y HA -0.002 4.548 4.550 -0.000 0.000 0.291 206 Y C 2.475 178.605 175.900 0.383 0.000 1.137 206 Y CA 2.131 60.450 58.100 0.364 0.000 1.202 206 Y CB -0.163 38.464 38.460 0.279 0.000 0.990 206 Y HN 0.596 nan 8.280 nan 0.000 0.537 207 E N -1.012 119.523 120.200 0.558 0.000 2.338 207 E HA -0.120 4.230 4.350 -0.000 0.000 0.197 207 E C 2.214 178.999 176.600 0.309 0.000 1.007 207 E CA 0.661 57.307 56.400 0.410 0.000 0.849 207 E CB -0.176 29.739 29.700 0.359 0.000 0.774 207 E HN 0.613 nan 8.360 nan 0.000 0.506 208 G N 0.833 109.818 108.800 0.309 0.000 2.426 208 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.214 208 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.214 208 G C 1.298 176.349 174.900 0.251 0.000 1.156 208 G CA -0.038 45.201 45.100 0.233 0.000 0.802 208 G HN 0.264 nan 8.290 nan 0.000 0.534 209 F N 3.212 123.249 119.950 0.146 0.000 2.120 209 F HA -0.202 4.325 4.527 -0.000 0.000 0.300 209 F C 2.847 178.718 175.800 0.118 0.000 1.095 209 F CA 2.415 60.470 58.000 0.092 0.000 1.249 209 F CB -0.513 38.434 39.000 -0.087 0.000 0.995 209 F HN 0.199 nan 8.300 nan 0.000 0.480 210 T N -2.345 112.272 114.554 0.104 0.000 2.915 210 T HA -0.089 4.261 4.350 -0.000 0.000 0.269 210 T C 1.941 176.634 174.700 -0.013 0.000 1.071 210 T CA 1.255 63.368 62.100 0.022 0.000 1.132 210 T CB -1.094 67.915 68.868 0.235 0.000 0.878 210 T HN 0.184 nan 8.240 nan 0.000 0.479 211 V N 1.154 121.084 119.914 0.027 0.000 2.379 211 V HA -0.067 4.053 4.120 -0.000 0.000 0.245 211 V C 2.892 178.972 176.094 -0.024 0.000 1.044 211 V CA 1.017 63.320 62.300 0.005 0.000 1.036 211 V CB -0.551 31.274 31.823 0.004 0.000 0.664 211 V HN 0.368 nan 8.190 nan 0.000 0.453 212 V N -0.424 119.482 119.914 -0.014 0.000 2.407 212 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 212 V C 2.512 178.595 176.094 -0.019 0.000 1.055 212 V CA 1.701 64.028 62.300 0.046 0.000 1.049 212 V CB -0.579 31.341 31.823 0.163 0.000 0.662 212 V HN 0.411 nan 8.190 nan 0.000 0.455 213 M N -0.222 119.274 119.600 -0.172 0.000 2.229 213 M HA -0.080 4.400 4.480 -0.000 0.000 0.264 213 M C 2.370 178.654 176.300 -0.027 0.000 1.063 213 M CA 2.015 57.217 55.300 -0.164 0.000 1.114 213 M CB -1.272 31.124 32.600 -0.339 0.000 1.387 213 M HN 0.418 nan 8.290 nan 0.000 0.420 214 A N 0.033 122.850 122.820 -0.005 0.000 1.969 214 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 214 A C 2.196 179.824 177.584 0.072 0.000 1.169 214 A CA 0.943 53.013 52.037 0.055 0.000 0.635 214 A CB -0.783 18.244 19.000 0.044 0.000 0.810 214 A HN 0.467 nan 8.150 nan 0.000 0.445 215 L N -0.308 120.947 121.223 0.053 0.000 2.362 215 L HA -0.084 4.255 4.340 -0.000 0.000 0.219 215 L C 2.087 179.012 176.870 0.093 0.000 1.134 215 L CA 0.334 55.216 54.840 0.071 0.000 0.807 215 L CB -0.380 41.727 42.059 0.081 0.000 0.927 215 L HN 0.391 nan 8.230 nan 0.000 0.447 216 L N -0.653 120.623 121.223 0.087 0.000 2.201 216 L HA -0.097 4.242 4.340 -0.000 0.000 0.212 216 L C 0.303 177.228 176.870 0.092 0.000 1.105 216 L CA 0.861 55.754 54.840 0.088 0.000 0.775 216 L CB -0.145 41.959 42.059 0.074 0.000 0.913 216 L HN 0.247 nan 8.230 nan 0.000 0.440 217 D N -0.663 119.806 120.400 0.115 0.000 2.826 217 D HA 0.146 4.786 4.640 -0.000 0.000 0.239 217 D C -2.652 173.797 176.300 0.249 0.000 1.329 217 D CA -1.205 52.882 54.000 0.144 0.000 0.854 217 D CB 1.059 41.919 40.800 0.101 0.000 1.494 217 D HN -0.167 nan 8.370 nan 0.000 0.540 218 P HA 0.132 nan 4.420 nan 0.000 0.279 218 P C -0.045 177.369 177.300 0.189 0.000 1.239 218 P CA -0.277 62.930 63.100 0.179 0.000 0.789 218 P CB 0.660 32.407 31.700 0.078 0.000 0.933 219 H N 5.117 124.122 119.070 -0.107 0.000 2.815 219 H HA 0.035 4.591 4.556 -0.000 0.000 0.350 219 H C -1.158 174.052 175.328 -0.196 0.000 1.080 219 H CA -1.000 54.778 56.048 -0.451 0.000 1.433 219 H CB 0.750 30.029 29.762 -0.805 0.000 1.432 219 H HN 0.260 nan 8.280 nan 0.000 0.592 220 P HA -0.123 nan 4.420 nan 0.000 0.221 220 P C 0.791 178.092 177.300 0.002 0.000 1.145 220 P CA 1.424 64.454 63.100 -0.118 0.000 0.795 220 P CB 0.026 31.627 31.700 -0.165 0.000 0.775 221 A N -0.769 122.175 122.820 0.206 0.000 2.208 221 A HA 0.039 4.359 4.320 -0.000 0.000 0.209 221 A C 1.166 178.726 177.584 -0.041 0.000 1.161 221 A CA -0.020 52.050 52.037 0.056 0.000 0.782 221 A CB -0.936 18.062 19.000 -0.002 0.000 0.816 221 A HN 0.175 nan 8.150 nan 0.000 0.477 222 L N 0.841 122.044 121.223 -0.033 0.000 2.462 222 L HA 0.213 4.553 4.340 -0.000 0.000 0.283 222 L C 0.764 177.563 176.870 -0.119 0.000 1.166 222 L CA 0.086 54.874 54.840 -0.086 0.000 0.964 222 L CB 0.065 42.088 42.059 -0.059 0.000 1.294 222 L HN 0.016 nan 8.230 nan 0.000 0.449 223 K N 3.151 123.455 120.400 -0.160 0.000 2.365 223 K HA 0.236 4.556 4.320 -0.000 0.000 0.197 223 K C 0.099 176.488 176.600 -0.351 0.000 1.042 223 K CA 0.412 56.579 56.287 -0.199 0.000 0.987 223 K CB 0.218 32.635 32.500 -0.138 0.000 0.779 223 K HN 0.405 nan 8.250 nan 0.000 0.484 224 V N -1.056 118.618 119.914 -0.399 0.000 3.225 224 V HA 0.673 4.793 4.120 -0.000 0.000 0.293 224 V C -2.070 173.792 176.094 -0.386 0.000 1.405 224 V CA -0.696 61.285 62.300 -0.531 0.000 1.038 224 V CB 2.243 33.560 31.823 -0.843 0.000 1.123 224 V HN 0.151 nan 8.190 nan 0.000 0.447 225 A N 3.351 126.079 122.820 -0.153 0.000 2.549 225 A HA 1.027 5.347 4.320 -0.000 0.000 0.297 225 A C -0.652 177.038 177.584 0.177 0.000 1.061 225 A CA -0.123 51.931 52.037 0.029 0.000 0.690 225 A CB 2.058 21.007 19.000 -0.084 0.000 1.287 225 A HN 2.325 nan 8.150 nan 0.000 0.402 226 A N 2.255 125.177 122.820 0.169 0.000 2.984 226 A HA 0.710 5.030 4.320 -0.000 0.000 0.320 226 A C -3.146 174.356 177.584 -0.137 0.000 1.142 226 A CA -1.268 50.748 52.037 -0.034 0.000 0.772 226 A CB 0.433 19.351 19.000 -0.136 0.000 1.195 226 A HN 0.400 nan 8.150 nan 0.000 0.459 227 P HA 0.348 nan 4.420 nan 0.000 0.276 227 P C -0.515 176.769 177.300 -0.026 0.000 1.243 227 P CA 0.396 63.413 63.100 -0.139 0.000 0.768 227 P CB 0.787 32.321 31.700 -0.277 0.000 0.856 228 E N 1.412 121.632 120.200 0.033 0.000 2.158 228 E HA 0.283 4.633 4.350 -0.000 0.000 0.271 228 E C -0.125 176.545 176.600 0.117 0.000 0.911 228 E CA -0.744 55.678 56.400 0.036 0.000 0.767 228 E CB 0.724 30.409 29.700 -0.025 0.000 1.120 228 E HN 0.235 nan 8.360 nan 0.000 0.405 229 S N 2.584 118.375 115.700 0.152 0.000 3.317 229 S HA -0.140 4.330 4.470 -0.000 0.000 0.358 229 S C -2.183 172.595 174.600 0.297 0.000 0.945 229 S CA 0.225 58.564 58.200 0.232 0.000 1.279 229 S CB -1.487 61.834 63.200 0.201 0.000 0.905 229 S HN 0.458 nan 8.310 nan 0.000 0.507 230 P HA 0.291 nan 4.420 nan 0.000 0.281 230 P C -0.169 177.309 177.300 0.297 0.000 1.249 230 P CA -0.731 62.562 63.100 0.322 0.000 0.810 230 P CB 0.593 32.514 31.700 0.369 0.000 1.008 231 M N 2.486 122.247 119.600 0.269 0.000 2.266 231 M HA 0.089 4.569 4.480 -0.000 0.000 0.340 231 M C 0.863 177.341 176.300 0.296 0.000 1.486 231 M CA -0.085 55.312 55.300 0.162 0.000 1.209 231 M CB 0.415 32.993 32.600 -0.036 0.000 1.714 231 M HN 0.125 nan 8.290 nan 0.000 0.459 232 V N 0.408 120.484 119.914 0.269 0.000 2.854 232 V HA 0.135 4.255 4.120 -0.000 0.000 0.236 232 V C 0.240 176.498 176.094 0.272 0.000 1.157 232 V CA 0.838 63.327 62.300 0.315 0.000 1.187 232 V CB 0.492 32.513 31.823 0.330 0.000 0.949 232 V HN 0.758 nan 8.190 nan 0.000 0.488 233 D N -0.035 120.478 120.400 0.188 0.000 2.358 233 D HA 0.298 4.938 4.640 -0.000 0.000 0.253 233 D C 0.984 177.261 176.300 -0.038 0.000 1.288 233 D CA 0.391 54.448 54.000 0.095 0.000 0.950 233 D CB 1.627 42.392 40.800 -0.059 0.000 1.197 233 D HN 0.188 nan 8.370 nan 0.000 0.550 234 G N 1.768 110.631 108.800 0.106 0.000 2.498 234 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.219 234 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.219 234 G C 1.077 175.981 174.900 0.007 0.000 1.119 234 G CA 0.252 45.347 45.100 -0.008 0.000 0.766 234 G HN 0.546 nan 8.290 nan 0.000 0.552 235 W N -0.218 120.911 121.300 -0.286 0.000 2.640 235 W HA 0.273 4.933 4.660 -0.000 0.000 0.271 235 W C 2.370 178.488 176.519 -0.668 0.000 1.218 235 W CA 0.107 57.177 57.345 -0.460 0.000 1.382 235 W CB 0.277 29.326 29.460 -0.686 0.000 1.067 235 W HN -0.033 nan 8.180 nan 0.000 0.590 236 M N -0.433 118.810 119.600 -0.595 0.000 2.132 236 M HA 0.156 4.636 4.480 -0.000 0.000 0.263 236 M C 1.508 176.886 176.300 -1.537 0.000 1.065 236 M CA 1.883 56.398 55.300 -1.309 0.000 1.122 236 M CB -1.236 30.178 32.600 -1.977 0.000 1.365 236 M HN 0.256 nan 8.290 nan 0.000 0.411 237 G N -1.159 106.930 108.800 -1.185 0.000 4.983 237 G HA2 0.075 4.035 3.960 -0.000 0.000 0.209 237 G HA3 0.075 4.035 3.960 -0.000 0.000 0.209 237 G C -0.157 174.442 174.900 -0.503 0.000 0.863 237 G CA -0.382 44.129 45.100 -0.982 0.000 0.793 237 G HN 0.203 nan 8.290 nan 0.000 0.341 238 D N 0.205 120.432 120.400 -0.288 0.000 2.976 238 D HA 0.160 4.800 4.640 -0.000 0.000 0.239 238 D C 0.971 177.160 176.300 -0.186 0.000 1.198 238 D CA -0.228 53.693 54.000 -0.132 0.000 1.171 238 D CB 0.558 41.290 40.800 -0.114 0.000 1.012 238 D HN -0.115 nan 8.370 nan 0.000 0.318 239 D N -0.414 119.692 120.400 -0.490 0.000 2.137 239 D HA -0.048 4.592 4.640 -0.000 0.000 0.202 239 D C 2.233 178.170 176.300 -0.605 0.000 0.970 239 D CA 0.818 54.377 54.000 -0.735 0.000 0.837 239 D CB 0.038 40.042 40.800 -1.327 0.000 0.981 239 D HN 0.395 nan 8.370 nan 0.000 0.475 240 W N -0.126 121.111 121.300 -0.106 0.000 2.481 240 W HA 0.083 4.743 4.660 -0.000 0.000 0.293 240 W C 0.617 176.768 176.519 -0.613 0.000 1.201 240 W CA -0.403 56.783 57.345 -0.265 0.000 1.328 240 W CB -0.019 29.471 29.460 0.050 0.000 1.112 240 W HN -0.208 nan 8.180 nan 0.000 0.546 241 F N -1.772 118.147 119.950 -0.050 0.000 2.650 241 F HA 0.424 4.951 4.527 -0.000 0.000 0.320 241 F C -0.325 175.373 175.800 -0.171 0.000 1.091 241 F CA -1.405 56.465 58.000 -0.216 0.000 0.962 241 F CB 1.197 39.750 39.000 -0.746 0.000 1.363 241 F HN -0.310 nan 8.300 nan 0.000 0.482 242 H N 1.085 120.059 119.070 -0.160 0.000 2.970 242 H HA 0.214 4.770 4.556 -0.000 0.000 0.315 242 H C -1.156 173.910 175.328 -0.437 0.000 0.992 242 H CA -0.865 55.011 56.048 -0.286 0.000 1.363 242 H CB 0.858 30.627 29.762 0.011 0.000 1.532 242 H HN 0.659 nan 8.280 nan 0.000 0.514 243 Y N 1.824 121.748 120.300 -0.627 0.000 3.225 243 Y HA -0.307 4.242 4.550 -0.000 0.000 0.211 243 Y C 1.570 176.898 175.900 -0.953 0.000 1.223 243 Y CA 1.471 59.102 58.100 -0.782 0.000 1.284 243 Y CB -1.792 36.350 38.460 -0.530 0.000 1.367 243 Y HN 1.144 nan 8.280 nan 0.000 0.566 244 G N -2.102 105.779 108.800 -1.533 0.000 2.225 244 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.254 244 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.254 244 G C 0.395 175.169 174.900 -0.209 0.000 0.988 244 G CA -0.096 44.269 45.100 -1.225 0.000 0.625 244 G HN 1.585 nan 8.290 nan 0.000 0.527 245 A N 0.357 123.125 122.820 -0.087 0.000 2.354 245 A HA 0.651 4.971 4.320 -0.000 0.000 0.281 245 A C -0.157 177.638 177.584 0.351 0.000 1.174 245 A CA -0.301 51.822 52.037 0.144 0.000 0.828 245 A CB 0.228 19.194 19.000 -0.057 0.000 1.099 245 A HN 1.256 nan 8.150 nan 0.000 0.516 246 F N 2.984 123.041 119.950 0.177 0.000 2.456 246 F HA 0.419 4.946 4.527 -0.000 0.000 0.358 246 F C 0.707 176.399 175.800 -0.179 0.000 1.095 246 F CA -0.302 57.614 58.000 -0.140 0.000 1.216 246 F CB 0.736 39.694 39.000 -0.069 0.000 1.125 246 F HN 0.570 nan 8.300 nan 0.000 0.549 247 R N 5.704 125.448 120.500 -1.260 0.000 2.196 247 R HA 0.149 4.489 4.340 -0.000 0.000 0.340 247 R C 0.781 176.015 176.300 -1.776 0.000 1.043 247 R CA -0.300 55.003 56.100 -1.328 0.000 0.883 247 R CB 0.856 30.553 30.300 -1.006 0.000 1.078 247 R HN 0.769 nan 8.270 nan 0.000 0.462 248 Q N 1.410 120.377 119.800 -1.387 0.000 2.472 248 Q HA -0.037 4.303 4.340 -0.000 0.000 0.208 248 Q C 1.644 176.718 176.000 -1.542 0.000 0.958 248 Q CA 0.837 55.850 55.803 -1.317 0.000 0.932 248 Q CB 0.404 28.508 28.738 -1.058 0.000 1.007 248 Q HN 0.878 nan 8.270 nan 0.000 0.508 249 G N 0.805 108.518 108.800 -1.812 0.000 2.598 249 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.215 249 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.215 249 G C 1.433 175.679 174.900 -1.089 0.000 1.131 249 G CA 0.596 44.530 45.100 -1.944 0.000 0.785 249 G HN 0.378 nan 8.290 nan 0.000 0.539 250 A N 0.678 122.870 122.820 -1.047 0.000 2.024 250 A HA 0.077 4.397 4.320 -0.000 0.000 0.220 250 A C 1.989 178.922 177.584 -1.084 0.000 1.164 250 A CA 1.094 52.607 52.037 -0.873 0.000 0.643 250 A CB -0.470 18.080 19.000 -0.750 0.000 0.806 250 A HN 0.265 nan 8.150 nan 0.000 0.451 251 F N 0.762 120.311 119.950 -0.668 0.000 2.102 251 F HA -0.152 4.375 4.527 -0.000 0.000 0.298 251 F C 2.140 177.766 175.800 -0.289 0.000 1.105 251 F CA 1.286 59.027 58.000 -0.431 0.000 1.239 251 F CB -0.831 38.088 39.000 -0.134 0.000 0.991 251 F HN 0.223 nan 8.300 nan 0.000 0.474 252 D N -1.209 119.147 120.400 -0.073 0.000 2.117 252 D HA -0.238 4.402 4.640 -0.000 0.000 0.197 252 D C 2.143 178.433 176.300 -0.017 0.000 0.987 252 D CA 1.248 55.225 54.000 -0.038 0.000 0.829 252 D CB -0.770 39.984 40.800 -0.076 0.000 0.961 252 D HN 0.347 nan 8.370 nan 0.000 0.460 253 Y N 0.528 120.721 120.300 -0.177 0.000 2.181 253 Y HA -0.213 4.337 4.550 -0.000 0.000 0.288 253 Y C 2.166 178.152 175.900 0.144 0.000 1.146 253 Y CA 1.487 59.571 58.100 -0.025 0.000 1.164 253 Y CB -0.467 37.981 38.460 -0.021 0.000 0.982 253 Y HN -0.082 nan 8.280 nan 0.000 0.515 254 F N -1.419 118.611 119.950 0.133 0.000 2.102 254 F HA -0.255 4.272 4.527 -0.000 0.000 0.298 254 F C 2.269 178.022 175.800 -0.079 0.000 1.105 254 F CA 0.932 58.955 58.000 0.038 0.000 1.239 254 F CB -0.664 38.367 39.000 0.051 0.000 0.991 254 F HN -0.164 nan 8.300 nan 0.000 0.474 255 V N -0.972 118.967 119.914 0.042 0.000 2.759 255 V HA -0.240 3.880 4.120 -0.000 0.000 0.256 255 V C 2.298 178.421 176.094 0.048 0.000 1.080 255 V CA 1.859 64.147 62.300 -0.021 0.000 1.101 255 V CB -0.372 31.407 31.823 -0.072 0.000 0.698 255 V HN 0.352 nan 8.190 nan 0.000 0.477 256 S N -0.872 114.829 115.700 0.001 0.000 2.395 256 S HA -0.120 4.350 4.470 -0.000 0.000 0.225 256 S C 1.904 176.471 174.600 -0.055 0.000 1.027 256 S CA 0.899 59.085 58.200 -0.023 0.000 0.965 256 S CB -0.003 63.174 63.200 -0.039 0.000 0.812 256 S HN 0.573 nan 8.310 nan 0.000 0.482 257 Q N -0.346 119.381 119.800 -0.122 0.000 2.396 257 Q HA 0.321 4.661 4.340 -0.000 0.000 0.209 257 Q C 1.096 177.074 176.000 -0.036 0.000 0.906 257 Q CA 0.460 56.173 55.803 -0.150 0.000 0.927 257 Q CB 0.235 28.771 28.738 -0.337 0.000 1.069 257 Q HN 0.565 nan 8.270 nan 0.000 0.523 258 M N -0.742 118.936 119.600 0.130 0.000 2.347 258 M HA 0.122 4.602 4.480 -0.000 0.000 0.302 258 M C 1.000 177.452 176.300 0.253 0.000 1.051 258 M CA 0.126 55.574 55.300 0.246 0.000 0.988 258 M CB 0.784 33.617 32.600 0.389 0.000 1.475 258 M HN -0.124 nan 8.290 nan 0.000 0.530 259 T N 1.043 115.725 114.554 0.213 0.000 2.942 259 T HA 0.230 4.580 4.350 -0.000 0.000 0.265 259 T C 0.678 175.382 174.700 0.006 0.000 1.062 259 T CA 0.918 63.110 62.100 0.152 0.000 1.139 259 T CB 0.182 69.142 68.868 0.154 0.000 0.883 259 T HN 0.467 nan 8.240 nan 0.000 0.468 260 A N -0.188 122.606 122.820 -0.043 0.000 2.602 260 A HA 0.684 5.004 4.320 -0.000 0.000 0.290 260 A C 0.819 178.288 177.584 -0.191 0.000 1.114 260 A CA -0.674 51.300 52.037 -0.105 0.000 0.683 260 A CB 0.846 19.782 19.000 -0.107 0.000 1.281 260 A HN 0.050 nan 8.150 nan 0.000 0.416 261 R N -0.068 120.313 120.500 -0.199 0.000 2.091 261 R HA -0.077 4.263 4.340 -0.000 0.000 0.238 261 R C 1.211 177.196 176.300 -0.525 0.000 1.136 261 R CA 2.261 58.202 56.100 -0.265 0.000 0.959 261 R CB -0.380 29.814 30.300 -0.177 0.000 0.856 261 R HN 0.874 nan 8.270 nan 0.000 0.437 262 G N -1.023 107.448 108.800 -0.547 0.000 2.829 262 G HA2 0.372 4.332 3.960 -0.000 0.000 0.173 262 G HA3 0.372 4.332 3.960 -0.000 0.000 0.173 262 G C -0.447 174.024 174.900 -0.716 0.000 1.476 262 G CA -0.220 44.320 45.100 -0.934 0.000 1.072 262 G HN 0.400 nan 8.290 nan 0.000 0.577 263 G N -1.191 107.430 108.800 -0.298 0.000 2.491 263 G HA2 0.512 4.472 3.960 -0.000 0.000 0.242 263 G HA3 0.512 4.472 3.960 -0.000 0.000 0.242 263 G C 0.138 175.007 174.900 -0.053 0.000 1.266 263 G CA 0.599 45.680 45.100 -0.032 0.000 0.844 263 G HN 0.852 nan 8.290 nan 0.000 0.571 264 G N 0.186 108.978 108.800 -0.013 0.000 3.140 264 G HA2 0.605 4.565 3.960 -0.000 0.000 0.271 264 G HA3 0.605 4.565 3.960 -0.000 0.000 0.271 264 G C -0.721 174.187 174.900 0.015 0.000 1.370 264 G CA -0.804 44.295 45.100 -0.001 0.000 1.014 264 G HN 0.593 nan 8.290 nan 0.000 0.541 265 N N -0.754 117.957 118.700 0.018 0.000 2.545 265 N HA 0.398 5.138 4.740 -0.000 0.000 0.289 265 N C -1.171 174.347 175.510 0.013 0.000 1.279 265 N CA -0.489 52.570 53.050 0.014 0.000 0.824 265 N CB 2.118 40.611 38.487 0.010 0.000 1.395 265 N HN 0.363 nan 8.380 nan 0.000 0.526 266 D N 0.263 120.668 120.400 0.008 0.000 2.451 266 D HA 0.390 5.030 4.640 -0.000 0.000 0.259 266 D C 0.079 176.381 176.300 0.004 0.000 1.201 266 D CA -0.090 53.915 54.000 0.008 0.000 1.028 266 D CB 0.940 41.745 40.800 0.009 0.000 1.095 266 D HN 0.288 nan 8.370 nan 0.000 0.539 267 I N 2.009 122.587 120.570 0.014 0.000 2.325 267 I HA 0.183 4.353 4.170 -0.000 0.000 0.291 267 I C -1.948 174.163 176.117 -0.010 0.000 1.019 267 I CA -1.736 59.560 61.300 -0.007 0.000 1.302 267 I CB 0.952 38.963 38.000 0.018 0.000 1.401 267 I HN 0.039 nan 8.210 nan 0.000 0.485 268 P HA 0.110 nan 4.420 nan 0.000 0.265 268 P C -0.711 176.561 177.300 -0.046 0.000 1.193 268 P CA -0.086 62.990 63.100 -0.040 0.000 0.765 268 P CB 0.468 32.137 31.700 -0.053 0.000 0.823 269 R N 2.266 122.753 120.500 -0.021 0.000 2.778 269 R HA 0.345 4.685 4.340 -0.000 0.000 0.277 269 R C 0.996 177.285 176.300 -0.019 0.000 0.977 269 R CA -0.915 55.180 56.100 -0.008 0.000 0.950 269 R CB 1.495 31.811 30.300 0.026 0.000 1.165 269 R HN 0.339 nan 8.270 nan 0.000 0.474 270 R N 0.327 120.817 120.500 -0.017 0.000 2.090 270 R HA 0.095 4.435 4.340 -0.000 0.000 0.219 270 R C 0.003 176.304 176.300 0.003 0.000 1.100 270 R CA 1.403 57.494 56.100 -0.015 0.000 0.991 270 R CB 0.210 30.498 30.300 -0.021 0.000 0.893 270 R HN 0.596 nan 8.270 nan 0.000 0.443 271 D N -1.695 118.717 120.400 0.020 0.000 2.350 271 D HA 0.317 4.957 4.640 -0.000 0.000 0.238 271 D C -0.137 176.177 176.300 0.024 0.000 0.989 271 D CA 0.102 54.120 54.000 0.029 0.000 0.921 271 D CB 2.271 43.102 40.800 0.053 0.000 1.297 271 D HN 0.178 nan 8.370 nan 0.000 0.490 272 A N 1.901 124.729 122.820 0.014 0.000 2.066 272 A HA -0.038 4.282 4.320 -0.000 0.000 0.218 272 A C 0.756 178.332 177.584 -0.012 0.000 1.157 272 A CA 0.815 52.848 52.037 -0.007 0.000 0.670 272 A CB 0.065 19.058 19.000 -0.012 0.000 0.804 272 A HN 0.470 nan 8.150 nan 0.000 0.453 273 D N -0.398 120.018 120.400 0.027 0.000 2.329 273 D HA 0.292 4.932 4.640 -0.000 0.000 0.232 273 D C -0.167 176.198 176.300 0.107 0.000 1.088 273 D CA -0.467 53.564 54.000 0.052 0.000 0.835 273 D CB 0.875 41.729 40.800 0.091 0.000 1.078 273 D HN -0.001 nan 8.370 nan 0.000 0.495 274 D N 2.383 122.821 120.400 0.063 0.000 2.310 274 D HA -0.164 4.476 4.640 -0.000 0.000 0.212 274 D C 1.303 177.775 176.300 0.287 0.000 0.965 274 D CA 0.576 54.679 54.000 0.172 0.000 0.879 274 D CB -0.048 40.776 40.800 0.040 0.000 0.921 274 D HN 0.568 nan 8.370 nan 0.000 0.510 275 Y N 1.502 121.887 120.300 0.141 0.000 2.145 275 Y HA -0.258 4.292 4.550 -0.000 0.000 0.286 275 Y C 2.294 178.397 175.900 0.340 0.000 1.145 275 Y CA 1.870 60.131 58.100 0.269 0.000 1.148 275 Y CB -0.365 38.233 38.460 0.229 0.000 0.981 275 Y HN -0.106 nan 8.280 nan 0.000 0.507 276 T N 0.773 115.585 114.554 0.429 0.000 2.701 276 T HA -0.177 4.173 4.350 -0.000 0.000 0.263 276 T C 1.626 176.455 174.700 0.214 0.000 1.040 276 T CA 1.470 63.741 62.100 0.284 0.000 1.147 276 T CB -0.386 68.608 68.868 0.210 0.000 0.865 276 T HN 0.374 nan 8.240 nan 0.000 0.426 277 N N 0.903 119.724 118.700 0.202 0.000 2.094 277 N HA -0.060 4.680 4.740 -0.000 0.000 0.191 277 N C 1.579 177.161 175.510 0.120 0.000 1.023 277 N CA 1.270 54.405 53.050 0.142 0.000 0.857 277 N CB -0.545 38.015 38.487 0.122 0.000 1.013 277 N HN 0.375 nan 8.380 nan 0.000 0.426 278 F N 0.394 120.436 119.950 0.153 0.000 2.234 278 F HA 0.041 4.568 4.527 -0.000 0.000 0.296 278 F C 2.125 178.080 175.800 0.259 0.000 1.089 278 F CA 0.073 58.170 58.000 0.162 0.000 1.343 278 F CB -0.392 38.584 39.000 -0.040 0.000 1.040 278 F HN -0.037 nan 8.300 nan 0.000 0.498 279 L N 0.670 122.128 121.223 0.392 0.000 2.046 279 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 279 L C 2.061 178.949 176.870 0.030 0.000 1.077 279 L CA 1.903 56.793 54.840 0.084 0.000 0.747 279 L CB -0.706 41.293 42.059 -0.100 0.000 0.896 279 L HN -0.013 nan 8.230 nan 0.000 0.432 280 K N -0.944 119.502 120.400 0.076 0.000 2.155 280 K HA 0.014 4.334 4.320 -0.000 0.000 0.203 280 K C 1.938 178.566 176.600 0.046 0.000 1.052 280 K CA 0.989 57.300 56.287 0.041 0.000 0.948 280 K CB -0.196 32.332 32.500 0.046 0.000 0.728 280 K HN 0.420 nan 8.250 nan 0.000 0.448 281 A N 0.813 123.689 122.820 0.093 0.000 2.067 281 A HA 0.135 4.455 4.320 -0.000 0.000 0.217 281 A C 1.451 179.106 177.584 0.119 0.000 1.156 281 A CA 1.453 53.550 52.037 0.101 0.000 0.683 281 A CB -0.421 18.687 19.000 0.180 0.000 0.808 281 A HN 0.433 nan 8.150 nan 0.000 0.455 282 G N -0.636 108.227 108.800 0.105 0.000 3.226 282 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.270 282 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.270 282 G C 0.719 175.727 174.900 0.180 0.000 1.592 282 G CA 0.834 45.961 45.100 0.046 0.000 1.055 282 G HN 1.759 nan 8.290 nan 0.000 0.582 283 S N 1.301 117.182 115.700 0.301 0.000 2.652 283 S HA 0.741 5.211 4.470 -0.000 0.000 0.270 283 S C 1.626 176.513 174.600 0.479 0.000 1.243 283 S CA 0.585 59.044 58.200 0.432 0.000 0.999 283 S CB 1.653 65.107 63.200 0.423 0.000 0.973 283 S HN 2.146 nan 8.310 nan 0.000 0.544 284 A N 1.546 124.720 122.820 0.590 0.000 1.933 284 A HA 0.140 4.460 4.320 -0.000 0.000 0.218 284 A C 2.107 180.066 177.584 0.624 0.000 1.175 284 A CA 1.630 54.119 52.037 0.754 0.000 0.628 284 A CB -1.700 17.850 19.000 0.917 0.000 0.814 284 A HN 1.137 nan 8.150 nan 0.000 0.444 285 G N -1.275 107.890 108.800 0.609 0.000 2.421 285 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.217 285 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.217 285 G C 1.847 176.908 174.900 0.268 0.000 1.143 285 G CA 1.284 46.701 45.100 0.529 0.000 0.784 285 G HN 0.537 nan 8.290 nan 0.000 0.541 286 S N -0.482 115.368 115.700 0.250 0.000 2.383 286 S HA -0.059 4.411 4.470 -0.000 0.000 0.227 286 S C 1.984 176.608 174.600 0.039 0.000 1.026 286 S CA 1.102 59.384 58.200 0.136 0.000 0.981 286 S CB -0.350 62.946 63.200 0.160 0.000 0.818 286 S HN 0.377 nan 8.310 nan 0.000 0.472 287 F N 2.084 121.981 119.950 -0.088 0.000 2.128 287 F HA 0.112 4.639 4.527 -0.000 0.000 0.295 287 F C 2.289 177.801 175.800 -0.479 0.000 1.100 287 F CA 1.172 59.006 58.000 -0.277 0.000 1.260 287 F CB -0.733 38.092 39.000 -0.291 0.000 1.009 287 F HN 0.256 nan 8.300 nan 0.000 0.476 288 A N -0.241 122.294 122.820 -0.475 0.000 1.908 288 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 288 A C 2.164 179.487 177.584 -0.436 0.000 1.181 288 A CA 2.398 53.946 52.037 -0.815 0.000 0.627 288 A CB -1.465 16.838 19.000 -1.162 0.000 0.818 288 A HN 0.451 nan 8.150 nan 0.000 0.445 289 T N 0.014 114.440 114.554 -0.214 0.000 2.674 289 T HA -0.203 4.147 4.350 -0.000 0.000 0.265 289 T C 2.046 176.630 174.700 -0.193 0.000 1.039 289 T CA 1.778 63.803 62.100 -0.124 0.000 1.150 289 T CB -0.335 68.504 68.868 -0.048 0.000 0.864 289 T HN 0.623 nan 8.240 nan 0.000 0.427 290 Q N 0.449 120.091 119.800 -0.264 0.000 2.181 290 Q HA -0.008 4.332 4.340 -0.000 0.000 0.205 290 Q C 2.339 178.119 176.000 -0.367 0.000 0.980 290 Q CA 1.310 56.931 55.803 -0.303 0.000 0.862 290 Q CB -0.208 28.311 28.738 -0.364 0.000 0.905 290 Q HN 0.545 nan 8.270 nan 0.000 0.429 291 A N -0.537 121.990 122.820 -0.489 0.000 2.251 291 A HA 0.321 4.641 4.320 -0.000 0.000 0.209 291 A C 1.427 178.863 177.584 -0.247 0.000 1.187 291 A CA 0.708 52.482 52.037 -0.438 0.000 0.823 291 A CB -0.059 18.583 19.000 -0.596 0.000 0.846 291 A HN 0.436 nan 8.150 nan 0.000 0.486 292 G N -1.062 107.626 108.800 -0.187 0.000 2.141 292 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.242 292 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.242 292 G C 0.700 175.624 174.900 0.041 0.000 0.982 292 G CA 0.413 45.481 45.100 -0.054 0.000 0.662 292 G HN 0.427 nan 8.290 nan 0.000 0.527 293 L N 0.272 121.441 121.223 -0.091 0.000 2.465 293 L HA 0.068 4.408 4.340 -0.000 0.000 0.224 293 L C 2.159 179.205 176.870 0.293 0.000 1.145 293 L CA 0.985 55.800 54.840 -0.042 0.000 0.834 293 L CB -0.162 41.612 42.059 -0.475 0.000 0.944 293 L HN 0.107 nan 8.230 nan 0.000 0.451 294 D N 0.186 120.717 120.400 0.218 0.000 2.309 294 D HA -0.206 4.434 4.640 -0.000 0.000 0.212 294 D C 1.946 178.350 176.300 0.172 0.000 0.968 294 D CA 0.951 55.084 54.000 0.221 0.000 0.882 294 D CB 0.022 40.869 40.800 0.077 0.000 0.918 294 D HN 0.595 nan 8.370 nan 0.000 0.503 295 Q N -0.515 119.403 119.800 0.196 0.000 2.320 295 Q HA -0.038 4.302 4.340 -0.000 0.000 0.201 295 Q C -0.302 175.731 176.000 0.055 0.000 0.910 295 Q CA -0.034 55.820 55.803 0.084 0.000 0.946 295 Q CB -0.128 28.617 28.738 0.011 0.000 1.062 295 Q HN 0.267 nan 8.270 nan 0.000 0.503 296 Y N 1.422 121.773 120.300 0.084 0.000 2.385 296 Y HA 0.257 4.807 4.550 -0.000 0.000 0.341 296 Y C -1.603 174.345 175.900 0.079 0.000 0.965 296 Y CA -2.607 55.549 58.100 0.094 0.000 1.180 296 Y CB 1.535 40.077 38.460 0.137 0.000 1.139 296 Y HN 0.049 nan 8.280 nan 0.000 0.502 297 P HA -0.282 nan 4.420 nan 0.000 0.216 297 P C 1.572 178.907 177.300 0.059 0.000 1.154 297 P CA 1.508 64.644 63.100 0.060 0.000 0.865 297 P CB 0.056 31.782 31.700 0.044 0.000 0.789 298 F N -1.058 118.873 119.950 -0.030 0.000 2.134 298 F HA -0.144 4.383 4.527 -0.000 0.000 0.299 298 F C 2.271 177.982 175.800 -0.148 0.000 1.097 298 F CA 1.273 59.198 58.000 -0.124 0.000 1.264 298 F CB -0.772 38.090 39.000 -0.230 0.000 1.001 298 F HN 0.008 nan 8.300 nan 0.000 0.479 299 W N 1.222 122.367 121.300 -0.258 0.000 2.402 299 W HA -0.195 4.465 4.660 -0.000 0.000 0.286 299 W C 1.909 178.300 176.519 -0.214 0.000 1.221 299 W CA 1.390 58.581 57.345 -0.257 0.000 1.257 299 W CB -0.347 29.081 29.460 -0.054 0.000 1.120 299 W HN 0.170 nan 8.180 nan 0.000 0.551 300 Q N 0.277 119.869 119.800 -0.346 0.000 2.084 300 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 300 Q C 2.367 178.075 176.000 -0.486 0.000 0.978 300 Q CA 1.903 57.438 55.803 -0.447 0.000 0.844 300 Q CB -0.287 28.311 28.738 -0.233 0.000 0.898 300 Q HN 0.304 nan 8.270 nan 0.000 0.426 301 R N 0.110 120.324 120.500 -0.477 0.000 2.075 301 R HA -0.064 4.276 4.340 -0.000 0.000 0.232 301 R C 2.304 178.224 176.300 -0.633 0.000 1.126 301 R CA 1.343 57.086 56.100 -0.595 0.000 0.963 301 R CB -0.360 29.545 30.300 -0.658 0.000 0.858 301 R HN 0.327 nan 8.270 nan 0.000 0.435 302 M N 0.401 119.644 119.600 -0.596 0.000 2.086 302 M HA -0.214 4.266 4.480 -0.000 0.000 0.261 302 M C 2.451 178.592 176.300 -0.264 0.000 1.067 302 M CA 1.751 56.921 55.300 -0.217 0.000 1.116 302 M CB -0.370 32.170 32.600 -0.101 0.000 1.348 302 M HN 0.221 nan 8.290 nan 0.000 0.407 303 H N 0.149 118.645 119.070 -0.957 0.000 2.387 303 H HA -0.114 4.442 4.556 -0.000 0.000 0.299 303 H C 1.603 176.671 175.328 -0.434 0.000 1.099 303 H CA 1.942 57.351 56.048 -1.064 0.000 1.315 303 H CB 0.022 28.896 29.762 -1.480 0.000 1.380 303 H HN 0.547 nan 8.280 nan 0.000 0.513 304 A N 0.381 122.947 122.820 -0.422 0.000 2.119 304 A HA -0.055 4.265 4.320 -0.000 0.000 0.216 304 A C 0.461 177.681 177.584 -0.606 0.000 1.152 304 A CA 0.466 52.201 52.037 -0.503 0.000 0.708 304 A CB -0.096 18.534 19.000 -0.617 0.000 0.805 304 A HN 0.488 nan 8.150 nan 0.000 0.460 305 H N -0.619 118.388 119.070 -0.105 0.000 2.336 305 H HA 0.195 4.751 4.556 -0.000 0.000 0.230 305 H C -2.102 173.490 175.328 0.440 0.000 1.426 305 H CA -1.506 54.596 56.048 0.089 0.000 1.359 305 H CB 0.555 30.271 29.762 -0.076 0.000 1.555 305 H HN 0.346 nan 8.280 nan 0.000 0.512 306 P HA -0.015 nan 4.420 nan 0.000 0.223 306 P C 0.744 178.314 177.300 0.449 0.000 1.151 306 P CA 0.507 63.887 63.100 0.467 0.000 0.787 306 P CB 0.688 32.553 31.700 0.276 0.000 0.788 307 A N -0.581 122.467 122.820 0.380 0.000 2.256 307 A HA 0.344 4.664 4.320 -0.000 0.000 0.318 307 A C -0.703 176.716 177.584 -0.275 0.000 1.103 307 A CA -0.569 51.587 52.037 0.198 0.000 0.860 307 A CB -0.057 19.113 19.000 0.282 0.000 1.182 307 A HN -0.005 nan 8.150 nan 0.000 0.501 308 Y N 2.124 121.794 120.300 -1.050 0.000 2.724 308 Y HA 0.214 4.764 4.550 -0.000 0.000 0.354 308 Y C 0.130 175.807 175.900 -0.371 0.000 1.270 308 Y CA -1.120 56.274 58.100 -1.178 0.000 1.902 308 Y CB -0.909 36.562 38.460 -1.649 0.000 1.981 308 Y HN 0.763 nan 8.280 nan 0.000 0.428 309 D N -0.035 120.238 120.400 -0.212 0.000 2.507 309 D HA 0.276 4.916 4.640 -0.000 0.000 0.280 309 D C 1.540 177.689 176.300 -0.252 0.000 1.219 309 D CA 0.022 53.933 54.000 -0.149 0.000 1.085 309 D CB 0.061 40.868 40.800 0.011 0.000 1.134 309 D HN 0.206 nan 8.370 nan 0.000 0.583 310 A N -0.807 121.904 122.820 -0.181 0.000 1.986 310 A HA -0.176 4.144 4.320 -0.000 0.000 0.220 310 A C 1.981 179.404 177.584 -0.269 0.000 1.171 310 A CA 1.581 53.499 52.037 -0.198 0.000 0.640 310 A CB -1.277 17.648 19.000 -0.126 0.000 0.811 310 A HN 0.544 nan 8.150 nan 0.000 0.451 311 F N -1.101 118.517 119.950 -0.553 0.000 2.126 311 F HA -0.171 4.356 4.527 -0.000 0.000 0.299 311 F C 1.867 177.256 175.800 -0.685 0.000 1.096 311 F CA 1.791 59.320 58.000 -0.785 0.000 1.255 311 F CB -0.371 37.764 39.000 -1.441 0.000 0.997 311 F HN 0.420 nan 8.300 nan 0.000 0.479 312 W N 0.089 121.164 121.300 -0.374 0.000 2.539 312 W HA 0.035 4.695 4.660 -0.000 0.000 0.281 312 W C 2.449 178.689 176.519 -0.466 0.000 1.220 312 W CA 0.437 57.557 57.345 -0.376 0.000 1.332 312 W CB -0.631 28.673 29.460 -0.260 0.000 1.095 312 W HN -0.074 nan 8.180 nan 0.000 0.571 313 Q N -0.016 119.488 119.800 -0.493 0.000 2.170 313 Q HA -0.107 4.233 4.340 -0.000 0.000 0.203 313 Q C 2.317 178.210 176.000 -0.178 0.000 0.976 313 Q CA 1.398 56.940 55.803 -0.435 0.000 0.858 313 Q CB -0.667 27.809 28.738 -0.437 0.000 0.907 313 Q HN 0.393 nan 8.270 nan 0.000 0.433 314 G N 0.119 108.799 108.800 -0.200 0.000 2.848 314 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.208 314 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.208 314 G C 0.892 175.737 174.900 -0.092 0.000 1.152 314 G CA 0.053 45.068 45.100 -0.141 0.000 0.789 314 G HN 0.282 nan 8.290 nan 0.000 0.531 315 Q N -0.548 119.218 119.800 -0.057 0.000 2.171 315 Q HA 0.339 4.679 4.340 -0.000 0.000 0.218 315 Q C 0.760 176.866 176.000 0.176 0.000 0.822 315 Q CA -0.337 55.503 55.803 0.062 0.000 0.987 315 Q CB 1.310 30.079 28.738 0.053 0.000 1.144 315 Q HN 0.299 nan 8.270 nan 0.000 0.494 316 A N 1.541 124.453 122.820 0.154 0.000 2.666 316 A HA 0.168 4.488 4.320 -0.000 0.000 0.301 316 A C 0.983 178.682 177.584 0.191 0.000 1.470 316 A CA -0.044 52.118 52.037 0.209 0.000 1.159 316 A CB -0.381 18.752 19.000 0.222 0.000 1.116 316 A HN 0.391 nan 8.150 nan 0.000 0.548 317 L N 1.071 122.427 121.223 0.220 0.000 2.275 317 L HA -0.156 4.184 4.340 -0.000 0.000 0.215 317 L C 2.089 179.070 176.870 0.184 0.000 1.119 317 L CA 1.171 56.132 54.840 0.201 0.000 0.790 317 L CB -0.509 41.691 42.059 0.234 0.000 0.919 317 L HN 0.779 nan 8.230 nan 0.000 0.443 318 D N 0.189 120.706 120.400 0.195 0.000 2.097 318 D HA -0.202 4.438 4.640 -0.000 0.000 0.195 318 D C 1.825 178.199 176.300 0.124 0.000 0.989 318 D CA 1.171 55.260 54.000 0.148 0.000 0.827 318 D CB -0.307 40.603 40.800 0.184 0.000 0.966 318 D HN 0.162 nan 8.370 nan 0.000 0.456 319 K N 0.364 120.851 120.400 0.144 0.000 2.001 319 K HA -0.019 4.301 4.320 -0.000 0.000 0.208 319 K C 2.371 179.028 176.600 0.095 0.000 1.048 319 K CA 0.359 56.716 56.287 0.117 0.000 0.932 319 K CB -0.395 32.181 32.500 0.126 0.000 0.715 319 K HN 0.262 nan 8.250 nan 0.000 0.437 320 I N 1.318 121.948 120.570 0.101 0.000 2.163 320 I HA -0.250 3.920 4.170 -0.000 0.000 0.243 320 I C 2.465 178.636 176.117 0.090 0.000 1.085 320 I CA 0.898 62.250 61.300 0.087 0.000 1.347 320 I CB -1.014 37.040 38.000 0.090 0.000 1.044 320 I HN 0.066 nan 8.210 nan 0.000 0.408 321 L N 1.604 122.893 121.223 0.110 0.000 2.046 321 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 321 L C 2.622 179.552 176.870 0.100 0.000 1.077 321 L CA 2.130 57.045 54.840 0.124 0.000 0.747 321 L CB -0.925 41.241 42.059 0.178 0.000 0.896 321 L HN 0.192 nan 8.230 nan 0.000 0.432 322 A N -1.106 121.761 122.820 0.078 0.000 1.940 322 A HA -0.289 4.031 4.320 -0.000 0.000 0.219 322 A C 2.176 179.789 177.584 0.050 0.000 1.176 322 A CA 1.999 54.066 52.037 0.051 0.000 0.631 322 A CB -0.594 18.426 19.000 0.034 0.000 0.814 322 A HN 0.688 nan 8.150 nan 0.000 0.446 323 Q N -1.201 118.633 119.800 0.055 0.000 2.224 323 Q HA -0.074 4.266 4.340 -0.000 0.000 0.203 323 Q C 2.060 178.090 176.000 0.050 0.000 0.970 323 Q CA 0.859 56.691 55.803 0.049 0.000 0.865 323 Q CB -0.050 28.718 28.738 0.049 0.000 0.922 323 Q HN 0.450 nan 8.270 nan 0.000 0.445 324 R N 0.923 121.460 120.500 0.062 0.000 2.200 324 R HA 0.058 4.398 4.340 -0.000 0.000 0.208 324 R C 0.085 176.422 176.300 0.063 0.000 1.033 324 R CA 0.296 56.434 56.100 0.063 0.000 1.000 324 R CB -0.042 30.303 30.300 0.075 0.000 0.906 324 R HN 0.155 nan 8.270 nan 0.000 0.462 325 K N 1.470 121.910 120.400 0.067 0.000 4.405 325 K HA -0.126 4.194 4.320 -0.000 0.000 0.287 325 K C -2.299 174.344 176.600 0.071 0.000 0.905 325 K CA 0.061 56.386 56.287 0.065 0.000 0.867 325 K CB -0.984 31.544 32.500 0.047 0.000 1.652 325 K HN 0.248 nan 8.250 nan 0.000 0.435 326 P HA -0.015 nan 4.420 nan 0.000 0.272 326 P C 0.551 177.891 177.300 0.068 0.000 1.240 326 P CA 0.047 63.196 63.100 0.082 0.000 0.791 326 P CB 0.725 32.487 31.700 0.103 0.000 0.978 327 T N -3.592 110.988 114.554 0.044 0.000 3.132 327 T HA 0.219 4.569 4.350 -0.000 0.000 0.274 327 T C 0.358 175.051 174.700 -0.011 0.000 1.011 327 T CA -0.283 61.833 62.100 0.027 0.000 0.899 327 T CB -0.455 68.427 68.868 0.022 0.000 1.089 327 T HN 0.075 nan 8.240 nan 0.000 0.543 328 V N 3.787 123.689 119.914 -0.019 0.000 2.461 328 V HA 0.340 4.460 4.120 -0.000 0.000 0.275 328 V C -2.219 173.816 176.094 -0.098 0.000 1.047 328 V CA -2.088 60.156 62.300 -0.093 0.000 0.955 328 V CB 0.952 32.729 31.823 -0.077 0.000 0.988 328 V HN 0.247 nan 8.190 nan 0.000 0.471 329 P HA 0.138 nan 4.420 nan 0.000 0.265 329 P C -0.565 176.765 177.300 0.050 0.000 1.187 329 P CA 0.476 63.498 63.100 -0.130 0.000 0.766 329 P CB 0.317 31.631 31.700 -0.644 0.000 0.820 330 M N 2.681 122.411 119.600 0.218 0.000 2.457 330 M HA 0.432 4.912 4.480 -0.000 0.000 0.300 330 M C -1.038 175.310 176.300 0.079 0.000 1.141 330 M CA -0.828 54.528 55.300 0.094 0.000 0.901 330 M CB 2.278 34.870 32.600 -0.013 0.000 1.687 330 M HN 0.074 nan 8.290 nan 0.000 0.449 331 L N 2.909 124.084 121.223 -0.080 0.000 2.345 331 L HA 0.567 4.907 4.340 -0.000 0.000 0.274 331 L C -2.061 174.676 176.870 -0.221 0.000 0.999 331 L CA 0.036 54.781 54.840 -0.159 0.000 0.849 331 L CB 0.841 42.782 42.059 -0.196 0.000 1.220 331 L HN 0.636 nan 8.230 nan 0.000 0.422 332 W N 4.626 125.904 121.300 -0.037 0.000 2.390 332 W HA 0.595 5.255 4.660 -0.000 0.000 0.312 332 W C 0.351 176.780 176.519 -0.151 0.000 1.123 332 W CA -0.216 57.107 57.345 -0.036 0.000 1.202 332 W CB 1.116 30.600 29.460 0.040 0.000 1.251 332 W HN 0.400 nan 8.180 nan 0.000 0.511 333 E N 3.734 123.984 120.200 0.083 0.000 2.317 333 E HA 0.393 4.743 4.350 -0.000 0.000 0.270 333 E C -1.226 175.405 176.600 0.051 0.000 0.885 333 E CA -0.707 55.672 56.400 -0.036 0.000 0.760 333 E CB 2.249 31.838 29.700 -0.186 0.000 1.227 333 E HN 0.682 nan 8.360 nan 0.000 0.434 334 Q N 1.338 121.165 119.800 0.044 0.000 2.527 334 Q HA 0.643 4.983 4.340 -0.000 0.000 0.280 334 Q C -0.780 175.287 176.000 0.110 0.000 0.977 334 Q CA -1.127 54.736 55.803 0.099 0.000 0.837 334 Q CB 0.905 29.695 28.738 0.087 0.000 1.454 334 Q HN 0.474 nan 8.270 nan 0.000 0.387 335 G N 0.945 109.852 108.800 0.178 0.000 2.476 335 G HA2 0.388 4.348 3.960 -0.000 0.000 0.269 335 G HA3 0.388 4.348 3.960 -0.000 0.000 0.269 335 G C 0.273 175.125 174.900 -0.080 0.000 1.195 335 G CA -0.860 44.324 45.100 0.140 0.000 0.843 335 G HN 0.643 nan 8.290 nan 0.000 0.545 336 L N 0.081 121.124 121.223 -0.300 0.000 2.291 336 L HA 0.058 4.398 4.340 -0.000 0.000 0.214 336 L C 1.045 177.605 176.870 -0.517 0.000 1.120 336 L CA 0.584 55.112 54.840 -0.520 0.000 0.799 336 L CB 0.049 41.584 42.059 -0.873 0.000 0.925 336 L HN 0.534 nan 8.230 nan 0.000 0.446 337 W N 0.321 121.561 121.300 -0.100 0.000 2.159 337 W HA 0.205 4.865 4.660 -0.000 0.000 0.375 337 W C 0.026 176.488 176.519 -0.094 0.000 0.794 337 W CA -0.978 56.296 57.345 -0.118 0.000 2.716 337 W CB 0.004 29.387 29.460 -0.129 0.000 1.583 337 W HN -0.060 nan 8.180 nan 0.000 0.702 338 D N 2.331 122.799 120.400 0.114 0.000 2.346 338 D HA -0.048 4.592 4.640 -0.000 0.000 0.260 338 D C 1.463 177.800 176.300 0.061 0.000 1.252 338 D CA 0.559 54.646 54.000 0.144 0.000 0.895 338 D CB 1.123 42.032 40.800 0.182 0.000 1.097 338 D HN 0.151 nan 8.370 nan 0.000 0.489 339 Q N 2.798 122.580 119.800 -0.031 0.000 2.365 339 Q HA 0.004 4.344 4.340 -0.000 0.000 0.203 339 Q C 0.126 176.099 176.000 -0.045 0.000 0.929 339 Q CA 0.698 56.399 55.803 -0.170 0.000 0.948 339 Q CB 0.310 28.734 28.738 -0.525 0.000 1.043 339 Q HN 0.594 nan 8.270 nan 0.000 0.505 340 E N -0.009 120.148 120.200 -0.071 0.000 2.444 340 E HA 0.133 4.483 4.350 -0.000 0.000 0.209 340 E C -0.331 176.175 176.600 -0.157 0.000 0.806 340 E CA 0.103 56.387 56.400 -0.194 0.000 1.240 340 E CB 0.803 30.129 29.700 -0.623 0.000 1.238 340 E HN 0.248 nan 8.360 nan 0.000 0.591 341 D N 0.747 121.126 120.400 -0.035 0.000 2.849 341 D HA 0.098 4.738 4.640 -0.000 0.000 0.314 341 D C 0.275 176.682 176.300 0.178 0.000 1.210 341 D CA 0.013 54.067 54.000 0.090 0.000 0.756 341 D CB 1.109 42.005 40.800 0.161 0.000 1.222 341 D HN 0.018 nan 8.370 nan 0.000 0.521 342 M N 0.112 119.819 119.600 0.177 0.000 2.319 342 M HA 0.013 4.493 4.480 -0.000 0.000 0.265 342 M C 1.552 177.973 176.300 0.203 0.000 1.068 342 M CA 1.218 56.623 55.300 0.174 0.000 1.118 342 M CB 0.081 32.795 32.600 0.190 0.000 1.395 342 M HN 0.403 nan 8.290 nan 0.000 0.435 343 W N 0.238 121.540 121.300 0.003 0.000 2.480 343 W HA 0.071 4.731 4.660 -0.000 0.000 0.299 343 W C 1.714 178.332 176.519 0.165 0.000 1.187 343 W CA 1.500 58.868 57.345 0.038 0.000 1.347 343 W CB -0.933 28.395 29.460 -0.220 0.000 1.121 343 W HN 0.309 nan 8.180 nan 0.000 0.533 344 G N 1.597 110.615 108.800 0.362 0.000 2.875 344 G HA2 -0.429 3.531 3.960 -0.000 0.000 0.220 344 G HA3 -0.429 3.531 3.960 -0.000 0.000 0.220 344 G C 1.659 176.671 174.900 0.186 0.000 1.293 344 G CA 2.760 48.039 45.100 0.299 0.000 0.789 344 G HN 0.392 nan 8.290 nan 0.000 0.677 345 A N 0.226 123.169 122.820 0.205 0.000 1.873 345 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 345 A C 2.523 180.097 177.584 -0.016 0.000 1.193 345 A CA 2.021 54.175 52.037 0.195 0.000 0.629 345 A CB -0.534 18.622 19.000 0.260 0.000 0.826 345 A HN 0.617 nan 8.150 nan 0.000 0.447 346 I N -1.729 118.826 120.570 -0.025 0.000 2.315 346 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 346 I C 2.289 178.323 176.117 -0.138 0.000 1.117 346 I CA 1.808 63.070 61.300 -0.064 0.000 1.404 346 I CB -0.131 37.789 38.000 -0.133 0.000 1.071 346 I HN 0.489 nan 8.210 nan 0.000 0.419 347 H N 0.254 119.179 119.070 -0.243 0.000 2.395 347 H HA 0.044 4.600 4.556 -0.000 0.000 0.299 347 H C 2.224 177.422 175.328 -0.216 0.000 1.070 347 H CA 1.456 57.326 56.048 -0.296 0.000 1.356 347 H CB -0.127 29.294 29.762 -0.569 0.000 1.401 347 H HN 0.423 nan 8.280 nan 0.000 0.524 348 A N 0.102 122.803 122.820 -0.198 0.000 1.929 348 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 348 A C 2.089 179.275 177.584 -0.664 0.000 1.176 348 A CA 1.236 53.011 52.037 -0.436 0.000 0.628 348 A CB -1.007 17.566 19.000 -0.712 0.000 0.816 348 A HN 0.681 nan 8.150 nan 0.000 0.444 349 W N 0.665 121.399 121.300 -0.944 0.000 2.381 349 W HA -0.191 4.469 4.660 -0.000 0.000 0.301 349 W C 2.139 178.470 176.519 -0.314 0.000 1.205 349 W CA 1.997 58.900 57.345 -0.736 0.000 1.285 349 W CB -0.179 28.956 29.460 -0.542 0.000 1.133 349 W HN 0.376 nan 8.180 nan 0.000 0.521 350 Q N 0.990 120.596 119.800 -0.323 0.000 2.124 350 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 350 Q C 2.223 177.998 176.000 -0.374 0.000 0.977 350 Q CA 2.636 58.144 55.803 -0.490 0.000 0.850 350 Q CB -0.871 27.728 28.738 -0.231 0.000 0.901 350 Q HN 0.298 nan 8.270 nan 0.000 0.429 351 A N -0.039 122.637 122.820 -0.240 0.000 1.930 351 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 351 A C 2.094 179.586 177.584 -0.154 0.000 1.175 351 A CA 1.300 53.253 52.037 -0.139 0.000 0.627 351 A CB -0.683 18.284 19.000 -0.056 0.000 0.815 351 A HN 0.447 nan 8.150 nan 0.000 0.443 352 L N -0.734 120.367 121.223 -0.204 0.000 2.056 352 L HA -0.173 4.167 4.340 -0.000 0.000 0.207 352 L C 2.645 179.406 176.870 -0.182 0.000 1.078 352 L CA 1.826 56.587 54.840 -0.132 0.000 0.749 352 L CB -0.384 41.639 42.059 -0.060 0.000 0.901 352 L HN 0.452 nan 8.230 nan 0.000 0.433 353 K N 0.127 120.310 120.400 -0.362 0.000 2.026 353 K HA -0.211 4.109 4.320 -0.000 0.000 0.208 353 K C 1.596 178.059 176.600 -0.228 0.000 1.048 353 K CA 1.811 57.876 56.287 -0.370 0.000 0.929 353 K CB 0.006 32.087 32.500 -0.699 0.000 0.713 353 K HN 0.219 nan 8.250 nan 0.000 0.439 354 D N 0.056 120.326 120.400 -0.217 0.000 2.219 354 D HA -0.098 4.542 4.640 -0.000 0.000 0.205 354 D C 1.203 177.456 176.300 -0.078 0.000 0.970 354 D CA 1.031 54.952 54.000 -0.131 0.000 0.851 354 D CB 0.071 40.804 40.800 -0.110 0.000 0.943 354 D HN 0.332 nan 8.370 nan 0.000 0.488 355 A N 0.158 122.936 122.820 -0.070 0.000 2.307 355 A HA 0.002 4.322 4.320 -0.000 0.000 0.218 355 A C 0.447 178.017 177.584 -0.024 0.000 1.228 355 A CA 0.044 52.062 52.037 -0.032 0.000 0.857 355 A CB 0.049 19.040 19.000 -0.015 0.000 0.897 355 A HN 0.035 nan 8.150 nan 0.000 0.495 356 D N -0.262 120.113 120.400 -0.041 0.000 2.697 356 D HA -0.146 4.494 4.640 -0.000 0.000 0.238 356 D C 0.061 176.361 176.300 0.000 0.000 1.152 356 D CA 0.876 54.862 54.000 -0.023 0.000 0.666 356 D CB -1.348 39.446 40.800 -0.010 0.000 1.037 356 D HN 0.382 nan 8.370 nan 0.000 0.423 357 V N 1.642 121.556 119.914 0.001 0.000 2.788 357 V HA -0.080 4.040 4.120 -0.000 0.000 0.307 357 V C 0.854 176.977 176.094 0.048 0.000 1.069 357 V CA 0.530 62.850 62.300 0.034 0.000 1.173 357 V CB 0.895 32.751 31.823 0.054 0.000 0.925 357 V HN 0.110 nan 8.190 nan 0.000 0.492 358 K N 6.079 126.511 120.400 0.054 0.000 2.765 358 K HA 0.645 4.965 4.320 -0.000 0.000 0.246 358 K C -0.272 176.369 176.600 0.068 0.000 1.254 358 K CA 0.411 56.733 56.287 0.058 0.000 1.219 358 K CB 0.301 32.829 32.500 0.047 0.000 1.747 358 K HN 0.861 nan 8.250 nan 0.000 0.372 359 A N 1.099 123.972 122.820 0.089 0.000 2.590 359 A HA 0.471 4.791 4.320 -0.000 0.000 0.294 359 A C -2.988 174.686 177.584 0.150 0.000 1.046 359 A CA -1.209 50.887 52.037 0.097 0.000 0.684 359 A CB 0.797 19.836 19.000 0.065 0.000 1.279 359 A HN 0.068 nan 8.150 nan 0.000 0.415 360 P HA 0.258 nan 4.420 nan 0.000 0.264 360 P C -0.667 176.804 177.300 0.286 0.000 1.183 360 P CA 0.630 63.895 63.100 0.275 0.000 0.763 360 P CB 0.266 32.217 31.700 0.418 0.000 0.807 361 N N 1.102 119.989 118.700 0.311 0.000 2.701 361 N HA 0.220 4.960 4.740 -0.000 0.000 0.258 361 N C -1.686 174.166 175.510 0.570 0.000 1.262 361 N CA -0.278 53.029 53.050 0.429 0.000 0.780 361 N CB 0.698 39.382 38.487 0.328 0.000 1.380 361 N HN 0.065 nan 8.380 nan 0.000 0.548 362 T N 2.351 117.166 114.554 0.436 0.000 2.829 362 T HA 0.471 4.821 4.350 -0.000 0.000 0.280 362 T C -0.889 173.800 174.700 -0.017 0.000 0.999 362 T CA -0.429 61.810 62.100 0.232 0.000 0.983 362 T CB 1.238 70.096 68.868 -0.018 0.000 0.968 362 T HN 0.351 nan 8.240 nan 0.000 0.446 363 L N 4.505 125.410 121.223 -0.529 0.000 2.295 363 L HA 0.738 5.078 4.340 -0.000 0.000 0.285 363 L C -1.094 175.454 176.870 -0.537 0.000 1.035 363 L CA -0.327 54.046 54.840 -0.779 0.000 0.806 363 L CB 1.049 42.096 42.059 -1.687 0.000 1.214 363 L HN 0.429 nan 8.230 nan 0.000 0.426 364 V N 6.426 126.109 119.914 -0.384 0.000 2.487 364 V HA 0.562 4.682 4.120 -0.000 0.000 0.298 364 V C -0.194 175.711 176.094 -0.315 0.000 1.028 364 V CA -0.486 61.598 62.300 -0.360 0.000 0.860 364 V CB 1.695 33.292 31.823 -0.378 0.000 0.991 364 V HN 0.776 nan 8.190 nan 0.000 0.427 365 M N 3.824 123.224 119.600 -0.332 0.000 2.213 365 M HA 0.627 5.107 4.480 -0.000 0.000 0.286 365 M C 0.147 176.105 176.300 -0.570 0.000 1.008 365 M CA -0.208 54.863 55.300 -0.382 0.000 0.937 365 M CB 2.224 34.577 32.600 -0.411 0.000 1.600 365 M HN 0.786 nan 8.290 nan 0.000 0.450 366 G N 2.160 110.279 108.800 -1.135 0.000 2.667 366 G HA2 0.772 4.732 3.960 -0.000 0.000 0.310 366 G HA3 0.772 4.732 3.960 -0.000 0.000 0.310 366 G C -2.852 171.070 174.900 -1.630 0.000 1.259 366 G CA -1.349 42.566 45.100 -1.975 0.000 1.019 366 G HN 0.411 nan 8.290 nan 0.000 0.496 367 P HA 0.193 nan 4.420 nan 0.000 0.220 367 P C -1.048 175.937 177.300 -0.526 0.000 1.806 367 P CA -0.098 62.358 63.100 -1.072 0.000 0.976 367 P CB -0.131 30.434 31.700 -1.892 0.000 1.952 368 W N 2.118 123.388 121.300 -0.050 0.000 2.902 368 W HA 0.409 5.069 4.660 -0.000 0.000 0.346 368 W C 0.648 177.245 176.519 0.130 0.000 1.139 368 W CA -0.795 56.579 57.345 0.048 0.000 1.139 368 W CB 0.891 30.345 29.460 -0.009 0.000 1.439 368 W HN 0.055 nan 8.180 nan 0.000 0.558 369 R N -0.181 120.535 120.500 0.360 0.000 2.519 369 R HA 0.324 4.664 4.340 -0.000 0.000 0.244 369 R C -0.111 176.338 176.300 0.248 0.000 1.241 369 R CA -0.608 55.632 56.100 0.233 0.000 1.120 369 R CB -0.490 29.882 30.300 0.121 0.000 1.333 369 R HN 0.354 nan 8.270 nan 0.000 0.587 370 H N -0.009 119.127 119.070 0.110 0.000 3.107 370 H HA 0.068 4.624 4.556 -0.000 0.000 0.301 370 H C -0.307 175.115 175.328 0.157 0.000 0.981 370 H CA 1.446 57.573 56.048 0.131 0.000 1.443 370 H CB -0.049 29.787 29.762 0.123 0.000 1.479 370 H HN 0.698 nan 8.280 nan 0.000 0.564 371 S N 1.875 117.418 115.700 -0.262 0.000 3.261 371 S HA -0.232 4.238 4.470 -0.000 0.000 0.287 371 S C 1.839 176.448 174.600 0.014 0.000 1.281 371 S CA 0.876 58.978 58.200 -0.163 0.000 1.053 371 S CB -1.671 61.454 63.200 -0.126 0.000 1.251 371 S HN 0.997 nan 8.310 nan 0.000 0.659 372 G N 0.432 109.252 108.800 0.033 0.000 2.498 372 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.219 372 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.219 372 G C 1.180 175.833 174.900 -0.412 0.000 1.119 372 G CA 0.901 46.012 45.100 0.018 0.000 0.766 372 G HN 0.698 nan 8.290 nan 0.000 0.552 373 V N 0.923 120.423 119.914 -0.690 0.000 2.867 373 V HA -0.067 4.053 4.120 -0.000 0.000 0.260 373 V C 1.642 177.425 176.094 -0.520 0.000 1.099 373 V CA 1.603 63.250 62.300 -1.088 0.000 1.122 373 V CB -0.308 30.956 31.823 -0.932 0.000 0.708 373 V HN 0.327 nan 8.190 nan 0.000 0.490 374 N N -1.336 117.120 118.700 -0.406 0.000 2.270 374 N HA 0.152 4.892 4.740 -0.000 0.000 0.198 374 N C -0.167 174.870 175.510 -0.788 0.000 1.117 374 N CA 0.267 53.003 53.050 -0.522 0.000 0.845 374 N CB 0.368 38.500 38.487 -0.592 0.000 0.980 374 N HN 0.616 nan 8.380 nan 0.000 0.486 375 Y N -0.572 119.662 120.300 -0.110 0.000 3.345 375 Y HA 0.304 4.854 4.550 -0.000 0.000 0.279 375 Y C 0.522 176.398 175.900 -0.039 0.000 1.980 375 Y CA -1.155 56.913 58.100 -0.053 0.000 0.912 375 Y CB 0.179 38.617 38.460 -0.036 0.000 1.460 375 Y HN -0.238 nan 8.280 nan 0.000 0.605 376 N N 0.506 119.326 118.700 0.200 0.000 2.426 376 N HA 0.223 4.963 4.740 -0.000 0.000 0.275 376 N C -0.235 175.379 175.510 0.173 0.000 1.019 376 N CA 0.094 53.230 53.050 0.143 0.000 0.941 376 N CB 1.540 40.096 38.487 0.115 0.000 1.123 376 N HN 0.866 nan 8.380 nan 0.000 0.486 377 G N 1.726 110.661 108.800 0.225 0.000 3.820 377 G HA2 0.060 4.020 3.960 -0.000 0.000 0.293 377 G HA3 0.060 4.020 3.960 -0.000 0.000 0.293 377 G C 0.699 175.826 174.900 0.379 0.000 1.152 377 G CA -0.288 45.036 45.100 0.374 0.000 0.921 377 G HN 0.551 nan 8.290 nan 0.000 0.544 378 S N 0.003 115.869 115.700 0.277 0.000 2.436 378 S HA 0.063 4.533 4.470 -0.000 0.000 0.228 378 S C 1.427 176.141 174.600 0.190 0.000 1.014 378 S CA 1.085 59.422 58.200 0.229 0.000 0.950 378 S CB 0.148 63.422 63.200 0.123 0.000 0.784 378 S HN 0.716 nan 8.310 nan 0.000 0.504 379 T N -0.962 113.695 114.554 0.172 0.000 2.816 379 T HA 0.710 5.060 4.350 -0.000 0.000 0.299 379 T C -1.679 173.081 174.700 0.100 0.000 1.230 379 T CA -0.833 61.230 62.100 -0.062 0.000 1.007 379 T CB 1.850 70.660 68.868 -0.097 0.000 1.289 379 T HN -0.026 nan 8.240 nan 0.000 0.508 380 L N 0.950 122.126 121.223 -0.078 0.000 2.639 380 L HA 0.623 4.963 4.340 -0.000 0.000 0.264 380 L C 0.603 177.364 176.870 -0.182 0.000 0.948 380 L CA 1.458 56.286 54.840 -0.020 0.000 0.912 380 L CB 0.954 43.089 42.059 0.126 0.000 1.294 380 L HN 1.611 nan 8.230 nan 0.000 0.412 381 G N 5.668 114.389 108.800 -0.133 0.000 2.591 381 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.298 381 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.298 381 G C -1.661 173.142 174.900 -0.161 0.000 1.195 381 G CA 0.291 45.309 45.100 -0.137 0.000 0.989 381 G HN 0.635 nan 8.290 nan 0.000 0.551 382 P HA 0.282 nan 4.420 nan 0.000 0.251 382 P C 0.849 177.956 177.300 -0.321 0.000 1.223 382 P CA 0.175 63.141 63.100 -0.223 0.000 0.796 382 P CB 0.068 31.635 31.700 -0.222 0.000 1.068 383 L N 0.634 121.612 121.223 -0.408 0.000 2.426 383 L HA 0.210 4.550 4.340 -0.000 0.000 0.271 383 L C 0.643 177.077 176.870 -0.727 0.000 1.169 383 L CA 0.108 54.612 54.840 -0.560 0.000 0.836 383 L CB 0.277 41.954 42.059 -0.638 0.000 1.112 383 L HN -0.099 nan 8.230 nan 0.000 0.465 384 E N 2.013 121.801 120.200 -0.688 0.000 2.210 384 E HA 0.512 4.862 4.350 -0.000 0.000 0.266 384 E C -1.314 174.942 176.600 -0.573 0.000 0.883 384 E CA -0.549 55.511 56.400 -0.566 0.000 0.761 384 E CB 1.987 31.533 29.700 -0.258 0.000 1.156 384 E HN 0.203 nan 8.360 nan 0.000 0.412 385 F N 0.412 120.359 119.950 -0.005 0.000 2.585 385 F HA 0.301 4.828 4.527 -0.000 0.000 0.350 385 F C 0.861 176.692 175.800 0.052 0.000 1.074 385 F CA -1.068 56.941 58.000 0.014 0.000 1.032 385 F CB 0.697 39.614 39.000 -0.138 0.000 1.330 385 F HN 0.200 nan 8.300 nan 0.000 0.495 386 E N 1.621 122.018 120.200 0.328 0.000 1.856 386 E HA 0.414 4.764 4.350 -0.000 0.000 0.263 386 E C 0.487 177.218 176.600 0.218 0.000 1.137 386 E CA 0.098 56.635 56.400 0.229 0.000 1.007 386 E CB 0.024 29.858 29.700 0.223 0.000 1.117 386 E HN 0.772 nan 8.360 nan 0.000 0.438 387 G N 2.988 111.897 108.800 0.181 0.000 2.760 387 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.246 387 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.246 387 G C -0.377 174.651 174.900 0.213 0.000 1.359 387 G CA -0.559 44.649 45.100 0.180 0.000 0.861 387 G HN 0.474 nan 8.290 nan 0.000 0.541 388 D N 0.903 121.432 120.400 0.216 0.000 2.455 388 D HA 0.330 4.970 4.640 -0.000 0.000 0.234 388 D C 2.194 178.698 176.300 0.340 0.000 1.224 388 D CA 0.843 54.992 54.000 0.249 0.000 0.999 388 D CB -0.107 40.816 40.800 0.204 0.000 1.072 388 D HN 0.770 nan 8.370 nan 0.000 0.514 389 T N 0.539 115.318 114.554 0.374 0.000 2.849 389 T HA -0.168 4.182 4.350 -0.000 0.000 0.270 389 T C 1.782 176.942 174.700 0.767 0.000 1.066 389 T CA 1.042 63.465 62.100 0.539 0.000 1.130 389 T CB -0.037 68.945 68.868 0.191 0.000 0.864 389 T HN 0.249 nan 8.240 nan 0.000 0.481 390 A N 1.321 124.479 122.820 0.563 0.000 1.872 390 A HA -0.016 4.304 4.320 -0.000 0.000 0.214 390 A C 2.202 179.917 177.584 0.219 0.000 1.187 390 A CA 1.774 53.931 52.037 0.200 0.000 0.614 390 A CB -1.232 17.641 19.000 -0.212 0.000 0.826 390 A HN 0.706 nan 8.150 nan 0.000 0.442 391 H N -0.062 119.082 119.070 0.124 0.000 2.319 391 H HA -0.156 4.400 4.556 -0.000 0.000 0.299 391 H C 2.131 177.501 175.328 0.069 0.000 1.092 391 H CA 2.356 58.439 56.048 0.058 0.000 1.302 391 H CB -0.260 29.529 29.762 0.046 0.000 1.373 391 H HN 0.586 nan 8.280 nan 0.000 0.497 392 Q N -0.972 118.890 119.800 0.104 0.000 2.045 392 Q HA -0.264 4.076 4.340 -0.000 0.000 0.206 392 Q C 2.175 178.128 176.000 -0.077 0.000 0.991 392 Q CA 2.059 57.881 55.803 0.032 0.000 0.851 392 Q CB -0.506 28.390 28.738 0.264 0.000 0.911 392 Q HN 0.680 nan 8.270 nan 0.000 0.418 393 Y N 1.234 121.493 120.300 -0.069 0.000 2.128 393 Y HA -0.269 4.281 4.550 -0.000 0.000 0.284 393 Y C 2.176 178.008 175.900 -0.114 0.000 1.154 393 Y CA 1.644 59.647 58.100 -0.162 0.000 1.149 393 Y CB -0.007 38.469 38.460 0.026 0.000 0.976 393 Y HN -0.066 nan 8.280 nan 0.000 0.505 394 R N -0.072 120.207 120.500 -0.369 0.000 2.105 394 R HA -0.186 4.154 4.340 -0.000 0.000 0.239 394 R C 2.542 178.523 176.300 -0.531 0.000 1.135 394 R CA 1.789 57.613 56.100 -0.461 0.000 0.967 394 R CB -0.372 29.773 30.300 -0.258 0.000 0.861 394 R HN 0.398 nan 8.270 nan 0.000 0.442 395 R N 0.517 120.714 120.500 -0.505 0.000 2.080 395 R HA -0.077 4.263 4.340 -0.000 0.000 0.222 395 R C 0.809 176.921 176.300 -0.313 0.000 1.107 395 R CA 1.477 57.303 56.100 -0.455 0.000 0.980 395 R CB 0.233 30.212 30.300 -0.535 0.000 0.879 395 R HN 0.107 nan 8.270 nan 0.000 0.439 396 D N -0.656 119.582 120.400 -0.271 0.000 2.346 396 D HA 0.021 4.661 4.640 -0.000 0.000 0.206 396 D C 1.358 177.574 176.300 -0.140 0.000 1.001 396 D CA 0.512 54.408 54.000 -0.173 0.000 0.871 396 D CB 0.934 41.653 40.800 -0.135 0.000 0.943 396 D HN 0.109 nan 8.370 nan 0.000 0.518 397 V N -0.173 119.607 119.914 -0.223 0.000 3.161 397 V HA 0.007 4.127 4.120 -0.000 0.000 0.221 397 V C 1.632 177.672 176.094 -0.090 0.000 1.296 397 V CA -0.165 62.047 62.300 -0.147 0.000 1.306 397 V CB 0.006 31.732 31.823 -0.162 0.000 1.171 397 V HN -0.044 nan 8.190 nan 0.000 0.513 398 F N 2.450 122.031 119.950 -0.616 0.000 2.026 398 F HA -0.173 4.354 4.527 -0.000 0.000 0.296 398 F C 2.590 178.276 175.800 -0.190 0.000 1.133 398 F CA 2.609 60.321 58.000 -0.480 0.000 1.188 398 F CB -0.644 37.847 39.000 -0.848 0.000 0.968 398 F HN 0.092 nan 8.300 nan 0.000 0.476 399 R N 0.808 121.138 120.500 -0.283 0.000 2.103 399 R HA -0.160 4.180 4.340 -0.000 0.000 0.234 399 R C -0.766 175.539 176.300 0.008 0.000 1.132 399 R CA 2.402 58.274 56.100 -0.380 0.000 0.925 399 R CB -1.953 27.993 30.300 -0.590 0.000 0.842 399 R HN 0.195 nan 8.270 nan 0.000 0.430 400 P HA -0.120 nan 4.420 nan 0.000 0.216 400 P C 1.075 178.492 177.300 0.194 0.000 1.150 400 P CA 1.260 64.407 63.100 0.078 0.000 0.837 400 P CB -0.237 31.488 31.700 0.040 0.000 0.786 401 F N -1.290 118.756 119.950 0.161 0.000 2.102 401 F HA -0.189 4.338 4.527 -0.000 0.000 0.298 401 F C 1.977 178.049 175.800 0.455 0.000 1.105 401 F CA 1.296 59.464 58.000 0.279 0.000 1.239 401 F CB -0.462 38.738 39.000 0.333 0.000 0.991 401 F HN -0.232 nan 8.300 nan 0.000 0.474 402 F N 1.252 121.356 119.950 0.257 0.000 2.134 402 F HA -0.183 4.344 4.527 -0.000 0.000 0.299 402 F C 2.274 178.174 175.800 0.167 0.000 1.097 402 F CA 1.559 59.690 58.000 0.218 0.000 1.264 402 F CB -1.025 38.193 39.000 0.363 0.000 1.001 402 F HN -0.016 nan 8.300 nan 0.000 0.479 403 D N -0.140 120.453 120.400 0.321 0.000 2.149 403 D HA -0.211 4.429 4.640 -0.000 0.000 0.198 403 D C 2.190 178.470 176.300 -0.034 0.000 0.990 403 D CA 1.237 55.337 54.000 0.167 0.000 0.839 403 D CB -0.449 40.425 40.800 0.123 0.000 0.948 403 D HN 0.410 nan 8.370 nan 0.000 0.460 404 E N -0.681 119.418 120.200 -0.167 0.000 2.160 404 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 404 E C 1.201 177.453 176.600 -0.580 0.000 0.991 404 E CA 1.024 57.159 56.400 -0.443 0.000 0.810 404 E CB -0.006 29.270 29.700 -0.708 0.000 0.742 404 E HN 0.441 nan 8.360 nan 0.000 0.466 405 Y N -1.010 119.172 120.300 -0.197 0.000 2.481 405 Y HA 0.196 4.746 4.550 -0.000 0.000 0.258 405 Y C 1.673 177.469 175.900 -0.173 0.000 1.103 405 Y CA -0.041 57.932 58.100 -0.211 0.000 1.287 405 Y CB 0.585 38.854 38.460 -0.319 0.000 1.108 405 Y HN -0.017 nan 8.280 nan 0.000 0.529 406 L N -0.639 120.572 121.223 -0.020 0.000 2.609 406 L HA 0.180 4.520 4.340 -0.000 0.000 0.230 406 L C 0.159 176.969 176.870 -0.100 0.000 1.087 406 L CA 0.494 55.301 54.840 -0.056 0.000 0.874 406 L CB 0.342 42.396 42.059 -0.008 0.000 1.114 406 L HN -0.155 nan 8.230 nan 0.000 0.488 407 K N 1.171 121.521 120.400 -0.084 0.000 2.540 407 K HA 0.320 4.640 4.320 -0.000 0.000 0.218 407 K C -2.467 174.080 176.600 -0.088 0.000 1.017 407 K CA -1.814 54.414 56.287 -0.099 0.000 1.029 407 K CB 1.245 33.695 32.500 -0.084 0.000 1.348 407 K HN -0.223 nan 8.250 nan 0.000 0.508 408 P HA -0.112 nan 4.420 nan 0.000 0.261 408 P C 0.793 178.052 177.300 -0.070 0.000 1.173 408 P CA 1.201 64.254 63.100 -0.077 0.000 0.760 408 P CB 0.643 32.303 31.700 -0.067 0.000 0.783 409 G N 1.559 110.317 108.800 -0.070 0.000 2.213 409 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.226 409 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.226 409 G C 0.490 175.354 174.900 -0.061 0.000 0.992 409 G CA -0.079 44.986 45.100 -0.058 0.000 0.632 409 G HN 0.579 nan 8.290 nan 0.000 0.511 410 S N 0.883 116.538 115.700 -0.075 0.000 2.584 410 S HA 0.611 5.081 4.470 -0.000 0.000 0.270 410 S C 0.969 175.519 174.600 -0.083 0.000 1.346 410 S CA 0.229 58.387 58.200 -0.071 0.000 1.018 410 S CB 1.230 64.387 63.200 -0.072 0.000 0.899 410 S HN 1.602 nan 8.310 nan 0.000 0.542 411 A N 2.328 125.109 122.820 -0.064 0.000 2.498 411 A HA 0.377 4.697 4.320 -0.000 0.000 0.239 411 A C 0.535 178.058 177.584 -0.101 0.000 1.068 411 A CA -0.169 51.832 52.037 -0.060 0.000 0.766 411 A CB 0.017 18.997 19.000 -0.033 0.000 1.003 411 A HN 0.649 nan 8.150 nan 0.000 0.497 412 S N -0.352 115.282 115.700 -0.111 0.000 2.586 412 S HA 0.500 4.970 4.470 -0.000 0.000 0.274 412 S C 0.120 174.601 174.600 -0.199 0.000 1.281 412 S CA -0.181 57.897 58.200 -0.204 0.000 1.035 412 S CB 1.075 64.144 63.200 -0.219 0.000 0.962 412 S HN 1.328 nan 8.310 nan 0.000 0.512 413 V N 1.226 120.998 119.914 -0.236 0.000 2.715 413 V HA 0.599 4.719 4.120 -0.000 0.000 0.310 413 V C -0.837 175.116 176.094 -0.235 0.000 1.054 413 V CA -0.690 61.548 62.300 -0.102 0.000 0.928 413 V CB 1.605 33.479 31.823 0.085 0.000 1.007 413 V HN 0.913 nan 8.190 nan 0.000 0.437 414 H N 4.748 123.898 119.070 0.133 0.000 2.530 414 H HA 0.469 5.025 4.556 -0.000 0.000 0.246 414 H C -0.486 174.935 175.328 0.155 0.000 1.346 414 H CA -0.301 55.833 56.048 0.144 0.000 1.424 414 H CB 1.148 30.970 29.762 0.100 0.000 1.445 414 H HN 0.580 nan 8.280 nan 0.000 0.511 415 L N 3.759 125.126 121.223 0.240 0.000 2.439 415 L HA 0.189 4.529 4.340 -0.000 0.000 0.269 415 L C -1.351 175.638 176.870 0.198 0.000 1.179 415 L CA -1.523 53.431 54.840 0.189 0.000 0.828 415 L CB 0.321 42.425 42.059 0.076 0.000 1.106 415 L HN 0.308 nan 8.230 nan 0.000 0.467 416 P HA 0.149 nan 4.420 nan 0.000 0.307 416 P C -0.146 177.274 177.300 0.200 0.000 1.306 416 P CA -0.412 62.807 63.100 0.198 0.000 0.742 416 P CB 0.828 32.651 31.700 0.205 0.000 1.349 417 D N -1.048 119.509 120.400 0.262 0.000 2.097 417 D HA 0.080 4.720 4.640 -0.000 0.000 0.195 417 D C 0.531 176.982 176.300 0.252 0.000 0.989 417 D CA 1.426 55.659 54.000 0.389 0.000 0.827 417 D CB -0.259 40.843 40.800 0.503 0.000 0.966 417 D HN 0.498 nan 8.370 nan 0.000 0.456 418 A N -0.526 122.337 122.820 0.073 0.000 2.520 418 A HA 0.653 4.973 4.320 -0.000 0.000 0.298 418 A C -1.277 176.121 177.584 -0.310 0.000 1.051 418 A CA -0.583 51.297 52.037 -0.262 0.000 0.690 418 A CB 1.311 19.984 19.000 -0.545 0.000 1.281 418 A HN 0.037 nan 8.150 nan 0.000 0.402 419 I N 2.837 123.145 120.570 -0.437 0.000 2.420 419 I HA 0.414 4.584 4.170 -0.000 0.000 0.282 419 I C -1.021 174.904 176.117 -0.321 0.000 1.019 419 I CA -0.026 60.957 61.300 -0.528 0.000 1.130 419 I CB 1.009 38.590 38.000 -0.699 0.000 1.262 419 I HN 0.465 nan 8.210 nan 0.000 0.454 420 I N 5.472 125.886 120.570 -0.260 0.000 2.498 420 I HA 0.296 4.466 4.170 -0.000 0.000 0.290 420 I C -0.722 175.278 176.117 -0.196 0.000 1.032 420 I CA -1.002 60.159 61.300 -0.233 0.000 1.073 420 I CB 2.118 39.871 38.000 -0.412 0.000 1.251 420 I HN 0.387 nan 8.210 nan 0.000 0.426 421 Y N 5.896 125.832 120.300 -0.607 0.000 2.411 421 Y HA 0.144 4.694 4.550 -0.000 0.000 0.333 421 Y C 0.373 175.918 175.900 -0.593 0.000 1.186 421 Y CA 0.246 57.750 58.100 -0.993 0.000 1.381 421 Y CB 0.627 38.126 38.460 -1.601 0.000 1.273 421 Y HN 0.514 nan 8.280 nan 0.000 0.546 422 N N 3.289 121.426 118.700 -0.938 0.000 2.426 422 N HA 0.041 4.781 4.740 -0.000 0.000 0.257 422 N C 0.268 175.464 175.510 -0.523 0.000 1.002 422 N CA 0.230 52.946 53.050 -0.556 0.000 0.942 422 N CB 1.252 39.472 38.487 -0.445 0.000 1.112 422 N HN 0.866 nan 8.380 nan 0.000 0.499 423 T N -0.204 114.245 114.554 -0.175 0.000 3.148 423 T HA 0.138 4.488 4.350 -0.000 0.000 0.253 423 T C 1.304 176.024 174.700 0.033 0.000 1.134 423 T CA 0.397 62.558 62.100 0.101 0.000 1.051 423 T CB 0.231 69.243 68.868 0.240 0.000 0.959 423 T HN 0.431 nan 8.240 nan 0.000 0.525 424 G N 1.110 109.741 108.800 -0.282 0.000 2.789 424 G HA2 0.098 4.058 3.960 -0.000 0.000 0.207 424 G HA3 0.098 4.058 3.960 -0.000 0.000 0.207 424 G C 1.043 175.779 174.900 -0.273 0.000 1.153 424 G CA -0.011 44.809 45.100 -0.466 0.000 0.847 424 G HN 0.376 nan 8.290 nan 0.000 0.615 425 D N 0.666 120.903 120.400 -0.272 0.000 2.347 425 D HA 0.078 4.718 4.640 -0.000 0.000 0.215 425 D C 0.528 176.692 176.300 -0.226 0.000 0.976 425 D CA 0.335 54.205 54.000 -0.217 0.000 0.884 425 D CB 0.138 40.815 40.800 -0.205 0.000 0.915 425 D HN 0.097 nan 8.370 nan 0.000 0.526 426 Q N -0.541 119.070 119.800 -0.315 0.000 2.464 426 Q HA -0.215 4.125 4.340 -0.000 0.000 0.304 426 Q C -0.460 175.284 176.000 -0.426 0.000 1.401 426 Q CA 0.870 56.498 55.803 -0.292 0.000 0.806 426 Q CB -2.013 26.723 28.738 -0.005 0.000 1.134 426 Q HN 0.591 nan 8.270 nan 0.000 0.411 427 K N -2.668 117.225 120.400 -0.846 0.000 2.615 427 K HA 0.619 4.939 4.320 -0.000 0.000 0.291 427 K C -1.274 174.884 176.600 -0.737 0.000 1.017 427 K CA -1.036 54.921 56.287 -0.549 0.000 0.882 427 K CB 0.729 33.094 32.500 -0.224 0.000 1.522 427 K HN -0.025 nan 8.250 nan 0.000 0.412 428 W N 1.555 122.727 121.300 -0.213 0.000 2.316 428 W HA 0.293 4.953 4.660 -0.000 0.000 0.311 428 W C -0.583 175.841 176.519 -0.159 0.000 1.217 428 W CA 0.178 57.432 57.345 -0.152 0.000 1.199 428 W CB 1.044 30.530 29.460 0.043 0.000 1.202 428 W HN 0.370 nan 8.180 nan 0.000 0.528 429 D N 2.638 123.000 120.400 -0.063 0.000 2.303 429 D HA 0.170 4.810 4.640 -0.000 0.000 0.236 429 D C -1.198 174.840 176.300 -0.437 0.000 1.068 429 D CA -0.574 53.234 54.000 -0.320 0.000 0.830 429 D CB 0.951 41.352 40.800 -0.664 0.000 1.109 429 D HN 0.243 nan 8.370 nan 0.000 0.496 430 Y N 1.658 121.716 120.300 -0.403 0.000 2.385 430 Y HA 0.241 4.791 4.550 -0.000 0.000 0.341 430 Y C -0.233 175.491 175.900 -0.294 0.000 0.965 430 Y CA -0.742 57.196 58.100 -0.271 0.000 1.180 430 Y CB 0.717 39.106 38.460 -0.118 0.000 1.139 430 Y HN 0.280 nan 8.280 nan 0.000 0.502 431 Y N 3.463 123.803 120.300 0.066 0.000 2.417 431 Y HA 0.272 4.822 4.550 -0.000 0.000 0.336 431 Y C 1.413 177.412 175.900 0.165 0.000 0.961 431 Y CA -0.786 57.389 58.100 0.125 0.000 1.215 431 Y CB 1.109 39.659 38.460 0.151 0.000 1.120 431 Y HN 0.629 nan 8.280 nan 0.000 0.499 432 R N 1.259 121.949 120.500 0.316 0.000 2.096 432 R HA -0.089 4.251 4.340 -0.000 0.000 0.240 432 R C -0.214 176.242 176.300 0.261 0.000 1.139 432 R CA 1.345 57.592 56.100 0.245 0.000 0.952 432 R CB 0.111 30.524 30.300 0.189 0.000 0.854 432 R HN 0.490 nan 8.270 nan 0.000 0.436 433 S N -1.208 114.658 115.700 0.278 0.000 2.532 433 S HA 0.393 4.863 4.470 -0.000 0.000 0.299 433 S C -1.815 172.978 174.600 0.323 0.000 1.105 433 S CA -0.620 57.730 58.200 0.251 0.000 1.018 433 S CB 1.849 65.135 63.200 0.144 0.000 1.021 433 S HN 0.373 nan 8.310 nan 0.000 0.483 434 W N 4.603 125.984 121.300 0.135 0.000 3.372 434 W HA 0.537 5.197 4.660 -0.000 0.000 0.315 434 W C -3.039 173.580 176.519 0.166 0.000 1.223 434 W CA -1.561 55.824 57.345 0.066 0.000 1.202 434 W CB 1.160 30.652 29.460 0.054 0.000 1.367 434 W HN 0.404 nan 8.180 nan 0.000 0.531 435 P HA 0.220 nan 4.420 nan 0.000 0.276 435 P C 0.304 177.271 177.300 -0.555 0.000 1.261 435 P CA -0.101 62.188 63.100 -1.352 0.000 0.800 435 P CB 1.474 32.318 31.700 -1.427 0.000 1.066 436 S N -1.005 114.415 115.700 -0.467 0.000 2.503 436 S HA 0.172 4.642 4.470 -0.000 0.000 0.217 436 S C 0.633 175.110 174.600 -0.205 0.000 0.999 436 S CA 0.133 58.195 58.200 -0.229 0.000 0.914 436 S CB -0.705 62.405 63.200 -0.151 0.000 0.782 436 S HN 0.391 nan 8.310 nan 0.000 0.520 437 V N -0.487 119.268 119.914 -0.265 0.000 2.876 437 V HA 0.929 5.049 4.120 -0.000 0.000 0.312 437 V C -0.266 175.696 176.094 -0.221 0.000 1.085 437 V CA -0.846 61.339 62.300 -0.192 0.000 0.945 437 V CB 0.559 32.296 31.823 -0.143 0.000 1.017 437 V HN 0.921 nan 8.190 nan 0.000 0.428 438 C N 1.085 120.294 119.300 -0.153 0.000 3.211 438 C HA 0.528 4.988 4.460 -0.000 0.000 0.350 438 C C 1.018 175.962 174.990 -0.075 0.000 1.413 438 C CA -0.010 58.927 59.018 -0.135 0.000 1.203 438 C CB 1.057 28.699 27.740 -0.164 0.000 1.506 438 C HN 0.990 nan 8.230 nan 0.000 0.448 439 E N 1.222 121.396 120.200 -0.044 0.000 2.110 439 E HA 0.004 4.354 4.350 -0.000 0.000 0.193 439 E C 0.808 177.401 176.600 -0.012 0.000 0.988 439 E CA 1.959 58.356 56.400 -0.004 0.000 0.804 439 E CB 0.038 29.765 29.700 0.045 0.000 0.745 439 E HN 0.884 nan 8.360 nan 0.000 0.458 440 S N -1.383 114.301 115.700 -0.026 0.000 2.550 440 S HA 0.300 4.770 4.470 -0.000 0.000 0.270 440 S C -0.372 174.204 174.600 -0.040 0.000 1.145 440 S CA -0.765 57.420 58.200 -0.025 0.000 0.852 440 S CB 1.442 64.635 63.200 -0.011 0.000 1.119 440 S HN 0.300 nan 8.310 nan 0.000 0.465 441 N N -0.695 117.984 118.700 -0.036 0.000 2.747 441 N HA -0.156 4.584 4.740 -0.000 0.000 0.249 441 N C -0.722 174.755 175.510 -0.055 0.000 1.107 441 N CA 0.744 53.770 53.050 -0.040 0.000 0.707 441 N CB -1.659 36.805 38.487 -0.039 0.000 1.054 441 N HN 0.678 nan 8.380 nan 0.000 0.555 442 C N -1.547 117.717 119.300 -0.060 0.000 2.848 442 C HA 0.317 4.777 4.460 -0.000 0.000 0.317 442 C C 2.209 177.164 174.990 -0.059 0.000 1.260 442 C CA -0.521 58.452 59.018 -0.076 0.000 1.656 442 C CB 1.639 29.312 27.740 -0.112 0.000 2.174 442 C HN 0.393 nan 8.230 nan 0.000 0.479 443 T N 0.946 115.465 114.554 -0.059 0.000 2.778 443 T HA 0.042 4.392 4.350 -0.000 0.000 0.269 443 T C 0.740 175.414 174.700 -0.043 0.000 1.050 443 T CA 1.866 63.941 62.100 -0.042 0.000 1.137 443 T CB -0.173 68.672 68.868 -0.037 0.000 0.860 443 T HN 0.947 nan 8.240 nan 0.000 0.468 444 G N -1.118 107.647 108.800 -0.059 0.000 2.725 444 G HA2 0.618 4.578 3.960 -0.000 0.000 0.288 444 G HA3 0.618 4.578 3.960 -0.000 0.000 0.288 444 G C -0.595 174.270 174.900 -0.058 0.000 1.399 444 G CA -0.304 44.765 45.100 -0.052 0.000 0.859 444 G HN 0.341 nan 8.290 nan 0.000 0.479 445 G N -1.302 107.471 108.800 -0.045 0.000 2.601 445 G HA2 0.565 4.525 3.960 -0.000 0.000 0.317 445 G HA3 0.565 4.525 3.960 -0.000 0.000 0.317 445 G C -0.796 174.078 174.900 -0.043 0.000 1.246 445 G CA -0.645 44.432 45.100 -0.040 0.000 1.012 445 G HN 0.468 nan 8.290 nan 0.000 0.494 446 L N -0.233 120.968 121.223 -0.035 0.000 2.453 446 L HA 0.421 4.761 4.340 -0.000 0.000 0.261 446 L C 0.878 177.739 176.870 -0.016 0.000 1.179 446 L CA 0.070 54.890 54.840 -0.034 0.000 0.813 446 L CB 1.267 43.304 42.059 -0.037 0.000 1.110 446 L HN 0.363 nan 8.230 nan 0.000 0.466 447 T N 3.129 117.681 114.554 -0.004 0.000 2.842 447 T HA 0.391 4.741 4.350 -0.000 0.000 0.308 447 T C -2.491 172.233 174.700 0.039 0.000 1.041 447 T CA -1.179 60.939 62.100 0.030 0.000 0.964 447 T CB 1.273 70.150 68.868 0.015 0.000 0.972 447 T HN 0.288 nan 8.240 nan 0.000 0.460 448 P HA 0.218 nan 4.420 nan 0.000 0.271 448 P C -0.738 176.345 177.300 -0.362 0.000 1.220 448 P CA -0.705 62.201 63.100 -0.324 0.000 0.768 448 P CB 0.493 31.802 31.700 -0.653 0.000 0.848 449 L N 5.778 126.740 121.223 -0.435 0.000 2.283 449 L HA 0.377 4.717 4.340 -0.000 0.000 0.281 449 L C -1.171 175.410 176.870 -0.483 0.000 1.033 449 L CA -0.772 53.741 54.840 -0.546 0.000 0.848 449 L CB -0.528 41.204 42.059 -0.545 0.000 1.226 449 L HN 0.202 nan 8.230 nan 0.000 0.429 450 Y N 4.361 124.508 120.300 -0.256 0.000 2.319 450 Y HA 0.356 4.906 4.550 -0.000 0.000 0.328 450 Y C 0.259 175.999 175.900 -0.267 0.000 1.133 450 Y CA -0.447 57.511 58.100 -0.236 0.000 1.265 450 Y CB 0.709 39.034 38.460 -0.225 0.000 1.218 450 Y HN 0.383 nan 8.280 nan 0.000 0.508 451 L N 2.770 123.907 121.223 -0.143 0.000 2.467 451 L HA 0.478 4.818 4.340 -0.000 0.000 0.270 451 L C 0.334 177.051 176.870 -0.254 0.000 1.205 451 L CA 0.364 54.996 54.840 -0.347 0.000 0.828 451 L CB 0.191 41.871 42.059 -0.631 0.000 1.101 451 L HN 0.854 nan 8.230 nan 0.000 0.479 452 A N 1.336 123.953 122.820 -0.339 0.000 2.588 452 A HA 0.431 4.751 4.320 -0.000 0.000 0.290 452 A C -0.882 176.365 177.584 -0.560 0.000 1.136 452 A CA -0.740 51.053 52.037 -0.407 0.000 0.681 452 A CB 0.630 19.533 19.000 -0.163 0.000 1.282 452 A HN 0.595 nan 8.150 nan 0.000 0.421 453 D N -0.396 119.753 120.400 -0.418 0.000 2.364 453 D HA 0.332 4.972 4.640 -0.000 0.000 0.236 453 D C 1.347 177.567 176.300 -0.134 0.000 1.221 453 D CA 2.102 55.962 54.000 -0.233 0.000 0.891 453 D CB 0.419 41.197 40.800 -0.038 0.000 1.190 453 D HN 1.570 nan 8.370 nan 0.000 0.449 454 G N 1.665 110.418 108.800 -0.079 0.000 2.249 454 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.273 454 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.273 454 G C 0.297 175.237 174.900 0.066 0.000 1.036 454 G CA 1.043 46.154 45.100 0.018 0.000 0.824 454 G HN 0.857 nan 8.290 nan 0.000 0.504 455 H N -2.352 116.667 119.070 -0.085 0.000 2.626 455 H HA -0.079 4.477 4.556 -0.000 0.000 0.317 455 H C 1.473 176.805 175.328 0.006 0.000 1.140 455 H CA 1.962 57.906 56.048 -0.173 0.000 1.134 455 H CB -1.251 28.313 29.762 -0.330 0.000 1.486 455 H HN 1.255 nan 8.280 nan 0.000 0.417 456 G N -0.622 108.253 108.800 0.125 0.000 2.601 456 G HA2 0.721 4.681 3.960 -0.000 0.000 0.317 456 G HA3 0.721 4.681 3.960 -0.000 0.000 0.317 456 G C -0.745 174.192 174.900 0.062 0.000 1.246 456 G CA -0.908 44.236 45.100 0.073 0.000 1.012 456 G HN 0.174 nan 8.290 nan 0.000 0.494 457 L N 0.023 121.234 121.223 -0.019 0.000 2.455 457 L HA 0.651 4.991 4.340 -0.000 0.000 0.264 457 L C -0.448 176.330 176.870 -0.154 0.000 0.968 457 L CA -0.695 54.079 54.840 -0.109 0.000 0.827 457 L CB 2.402 44.374 42.059 -0.146 0.000 1.317 457 L HN 0.637 nan 8.230 nan 0.000 0.407 458 S N 0.646 116.236 115.700 -0.183 0.000 2.550 458 S HA 0.525 4.995 4.470 -0.000 0.000 0.270 458 S C -0.080 174.439 174.600 -0.135 0.000 1.145 458 S CA -0.471 57.645 58.200 -0.141 0.000 0.852 458 S CB 1.128 64.320 63.200 -0.013 0.000 1.119 458 S HN 0.458 nan 8.310 nan 0.000 0.465 459 F N 1.600 121.599 119.950 0.081 0.000 2.661 459 F HA 0.146 4.673 4.527 -0.000 0.000 0.298 459 F C 1.486 177.425 175.800 0.232 0.000 1.137 459 F CA 0.329 58.399 58.000 0.116 0.000 1.454 459 F CB 0.248 39.278 39.000 0.049 0.000 1.103 459 F HN 0.380 nan 8.300 nan 0.000 0.577 460 T N -0.794 113.939 114.554 0.298 0.000 2.817 460 T HA 0.033 4.383 4.350 -0.000 0.000 0.293 460 T C -0.486 174.232 174.700 0.030 0.000 0.964 460 T CA -0.359 61.851 62.100 0.182 0.000 1.085 460 T CB 0.302 69.228 68.868 0.097 0.000 0.921 460 T HN 0.134 nan 8.240 nan 0.000 0.502 461 H N 4.737 123.629 119.070 -0.298 0.000 3.017 461 H HA 0.232 4.788 4.556 -0.000 0.000 0.276 461 H C -2.159 172.907 175.328 -0.436 0.000 1.062 461 H CA -1.642 53.872 56.048 -0.889 0.000 1.486 461 H CB 0.286 29.649 29.762 -0.666 0.000 1.507 461 H HN 0.301 nan 8.280 nan 0.000 0.508 462 P HA 0.037 nan 4.420 nan 0.000 0.271 462 P C -0.139 177.217 177.300 0.093 0.000 1.216 462 P CA -0.022 63.059 63.100 -0.031 0.000 0.771 462 P CB 1.311 32.985 31.700 -0.044 0.000 0.864 463 A N 3.232 126.063 122.820 0.019 0.000 1.898 463 A HA 0.233 4.553 4.320 -0.000 0.000 0.214 463 A C 1.204 178.781 177.584 -0.011 0.000 1.183 463 A CA 1.272 53.296 52.037 -0.021 0.000 0.622 463 A CB -0.936 18.035 19.000 -0.048 0.000 0.824 463 A HN 0.628 nan 8.150 nan 0.000 0.444 464 A N 0.316 123.133 122.820 -0.004 0.000 2.304 464 A HA 0.466 4.786 4.320 -0.000 0.000 0.271 464 A C -0.450 177.122 177.584 -0.021 0.000 1.091 464 A CA -0.466 51.564 52.037 -0.012 0.000 0.812 464 A CB 0.156 19.150 19.000 -0.011 0.000 1.056 464 A HN 0.450 nan 8.150 nan 0.000 0.489 465 D N -0.327 120.048 120.400 -0.040 0.000 2.283 465 D HA 0.561 5.201 4.640 -0.000 0.000 0.248 465 D C 0.223 176.336 176.300 -0.312 0.000 1.072 465 D CA 0.715 54.652 54.000 -0.104 0.000 0.929 465 D CB 1.800 42.633 40.800 0.055 0.000 1.182 465 D HN 0.797 nan 8.370 nan 0.000 0.433 466 G N -1.058 107.264 108.800 -0.795 0.000 2.523 466 G HA2 0.607 4.567 3.960 -0.000 0.000 0.291 466 G HA3 0.607 4.567 3.960 -0.000 0.000 0.291 466 G C -2.029 172.156 174.900 -1.192 0.000 1.450 466 G CA -0.424 44.169 45.100 -0.845 0.000 0.790 466 G HN 0.611 nan 8.290 nan 0.000 0.496 467 A N 0.168 122.616 122.820 -0.621 0.000 2.589 467 A HA 0.747 5.067 4.320 -0.000 0.000 0.296 467 A C -1.992 175.590 177.584 -0.004 0.000 1.062 467 A CA -0.682 51.175 52.037 -0.299 0.000 0.686 467 A CB 1.885 20.800 19.000 -0.141 0.000 1.282 467 A HN 0.505 nan 8.150 nan 0.000 0.404 468 D N 1.203 121.684 120.400 0.136 0.000 2.362 468 D HA 0.649 5.289 4.640 -0.000 0.000 0.247 468 D C -0.525 175.906 176.300 0.218 0.000 1.050 468 D CA 0.002 54.111 54.000 0.182 0.000 0.839 468 D CB 2.140 43.063 40.800 0.206 0.000 1.283 468 D HN 0.386 nan 8.370 nan 0.000 0.477 469 S N 0.921 116.737 115.700 0.194 0.000 2.568 469 S HA 0.715 5.185 4.470 -0.000 0.000 0.302 469 S C -0.790 173.962 174.600 0.253 0.000 1.082 469 S CA -0.839 57.461 58.200 0.166 0.000 1.009 469 S CB 1.244 64.500 63.200 0.094 0.000 1.069 469 S HN 0.491 nan 8.310 nan 0.000 0.500 470 Y N -1.823 118.558 120.300 0.135 0.000 2.571 470 Y HA 0.785 5.335 4.550 -0.000 0.000 0.341 470 Y C -1.478 174.483 175.900 0.102 0.000 1.076 470 Y CA -1.435 56.732 58.100 0.112 0.000 1.029 470 Y CB 0.528 39.060 38.460 0.119 0.000 1.308 470 Y HN 0.311 nan 8.280 nan 0.000 0.461 471 V N 2.598 122.630 119.914 0.197 0.000 2.370 471 V HA 0.438 4.558 4.120 -0.000 0.000 0.279 471 V C -0.214 175.983 176.094 0.172 0.000 1.029 471 V CA -0.449 61.913 62.300 0.103 0.000 0.870 471 V CB 1.240 33.119 31.823 0.093 0.000 0.984 471 V HN 0.822 nan 8.190 nan 0.000 0.451 472 S N 3.583 119.342 115.700 0.098 0.000 2.461 472 S HA 0.329 4.799 4.470 -0.000 0.000 0.322 472 S C -0.701 173.953 174.600 0.089 0.000 1.063 472 S CA -0.613 57.664 58.200 0.129 0.000 1.120 472 S CB 0.472 63.718 63.200 0.077 0.000 0.968 472 S HN 0.812 nan 8.310 nan 0.000 0.467 473 D N 5.595 126.065 120.400 0.116 0.000 2.441 473 D HA 0.441 5.081 4.640 -0.000 0.000 0.231 473 D C -1.806 174.541 176.300 0.079 0.000 1.073 473 D CA -2.290 51.778 54.000 0.113 0.000 0.850 473 D CB 1.855 42.761 40.800 0.177 0.000 1.062 473 D HN 0.218 nan 8.370 nan 0.000 0.524 474 P HA -0.068 nan 4.420 nan 0.000 0.223 474 P C 0.792 177.986 177.300 -0.176 0.000 1.144 474 P CA 0.739 63.823 63.100 -0.026 0.000 0.783 474 P CB 0.278 32.043 31.700 0.108 0.000 0.771 475 A N -1.579 121.145 122.820 -0.159 0.000 2.119 475 A HA -0.076 4.244 4.320 -0.000 0.000 0.216 475 A C 0.475 177.739 177.584 -0.533 0.000 1.152 475 A CA 0.949 52.776 52.037 -0.351 0.000 0.708 475 A CB -0.972 17.829 19.000 -0.330 0.000 0.805 475 A HN 0.277 nan 8.150 nan 0.000 0.460 476 H N -0.333 118.730 119.070 -0.013 0.000 2.379 476 H HA 0.275 4.831 4.556 -0.000 0.000 0.229 476 H C -2.783 172.596 175.328 0.085 0.000 1.423 476 H CA -1.656 54.433 56.048 0.068 0.000 1.375 476 H CB 0.646 30.454 29.762 0.076 0.000 1.592 476 H HN 0.284 nan 8.280 nan 0.000 0.507 477 P HA 0.013 nan 4.420 nan 0.000 0.274 477 P C 0.112 177.606 177.300 0.322 0.000 1.237 477 P CA -0.368 62.795 63.100 0.106 0.000 0.793 477 P CB 1.647 33.223 31.700 -0.207 0.000 0.977 478 V N 3.791 123.889 119.914 0.308 0.000 2.470 478 V HA 0.109 4.229 4.120 -0.000 0.000 0.276 478 V C -1.931 174.435 176.094 0.454 0.000 1.040 478 V CA -1.370 61.127 62.300 0.328 0.000 1.008 478 V CB -0.033 31.948 31.823 0.262 0.000 0.990 478 V HN 0.547 nan 8.190 nan 0.000 0.477 479 P HA 0.057 nan 4.420 nan 0.000 0.267 479 P C 0.501 177.955 177.300 0.257 0.000 1.205 479 P CA -0.164 63.138 63.100 0.337 0.000 0.765 479 P CB 0.301 32.045 31.700 0.073 0.000 0.828 480 F N 4.759 124.698 119.950 -0.019 0.000 2.325 480 F HA 0.107 4.634 4.527 -0.000 0.000 0.299 480 F C 0.605 176.280 175.800 -0.209 0.000 1.090 480 F CA 0.318 58.175 58.000 -0.239 0.000 1.392 480 F CB -0.631 37.795 39.000 -0.957 0.000 1.053 480 F HN 0.136 nan 8.300 nan 0.000 0.521 481 I N -3.044 116.967 120.570 -0.932 0.000 3.102 481 I HA 0.495 4.665 4.170 -0.000 0.000 0.310 481 I C -0.298 175.551 176.117 -0.446 0.000 1.246 481 I CA -1.453 59.442 61.300 -0.675 0.000 0.979 481 I CB 1.716 39.175 38.000 -0.902 0.000 1.267 481 I HN -0.278 nan 8.210 nan 0.000 0.451 482 S N 2.136 117.678 115.700 -0.264 0.000 2.558 482 S HA 0.156 4.626 4.470 -0.000 0.000 0.293 482 S C 0.194 174.702 174.600 -0.152 0.000 1.292 482 S CA -0.342 57.755 58.200 -0.172 0.000 1.063 482 S CB 0.012 63.140 63.200 -0.119 0.000 0.831 482 S HN 0.460 nan 8.310 nan 0.000 0.499 483 R N 2.605 123.022 120.500 -0.137 0.000 2.582 483 R HA 0.339 4.679 4.340 -0.000 0.000 0.271 483 R C -2.052 174.210 176.300 -0.063 0.000 1.078 483 R CA -1.254 54.782 56.100 -0.107 0.000 1.127 483 R CB -0.130 30.056 30.300 -0.191 0.000 1.038 483 R HN 0.452 nan 8.270 nan 0.000 0.500 484 P HA 0.256 nan 4.420 nan 0.000 0.284 484 P C -1.378 175.957 177.300 0.058 0.000 1.258 484 P CA -0.341 62.762 63.100 0.005 0.000 0.824 484 P CB 0.790 32.490 31.700 -0.001 0.000 1.038 485 F N 0.927 120.810 119.950 -0.112 0.000 2.569 485 F HA 0.656 5.183 4.527 -0.000 0.000 0.312 485 F C -1.657 174.035 175.800 -0.180 0.000 1.109 485 F CA -0.661 57.236 58.000 -0.170 0.000 0.919 485 F CB 1.912 40.744 39.000 -0.279 0.000 1.211 485 F HN 0.531 nan 8.300 nan 0.000 0.446 486 A N 5.147 127.286 122.820 -1.135 0.000 2.371 486 A HA 0.533 4.853 4.320 -0.000 0.000 0.311 486 A C -0.359 176.369 177.584 -1.426 0.000 1.068 486 A CA -0.621 50.843 52.037 -0.954 0.000 0.744 486 A CB 0.426 19.181 19.000 -0.407 0.000 1.239 486 A HN 0.856 nan 8.150 nan 0.000 0.435 487 F N 1.569 121.007 119.950 -0.853 0.000 2.373 487 F HA -0.171 4.356 4.527 -0.000 0.000 0.300 487 F C 2.461 178.018 175.800 -0.404 0.000 1.080 487 F CA 1.760 59.397 58.000 -0.606 0.000 1.417 487 F CB 0.012 38.752 39.000 -0.433 0.000 1.070 487 F HN 0.662 nan 8.300 nan 0.000 0.546 488 A N -0.645 122.063 122.820 -0.187 0.000 2.014 488 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 488 A C 1.369 178.904 177.584 -0.081 0.000 1.163 488 A CA 0.417 52.394 52.037 -0.101 0.000 0.652 488 A CB -0.521 18.430 19.000 -0.081 0.000 0.808 488 A HN 0.351 nan 8.150 nan 0.000 0.449 489 Q N 0.956 120.668 119.800 -0.147 0.000 2.780 489 Q HA 0.182 4.522 4.340 -0.000 0.000 0.234 489 Q C 0.753 176.837 176.000 0.139 0.000 1.355 489 Q CA -0.246 55.539 55.803 -0.029 0.000 0.919 489 Q CB 0.087 28.784 28.738 -0.067 0.000 1.645 489 Q HN 0.538 nan 8.270 nan 0.000 0.568 490 S N 0.458 116.238 115.700 0.134 0.000 2.383 490 S HA -0.214 4.256 4.470 -0.000 0.000 0.229 490 S C 2.047 176.785 174.600 0.229 0.000 1.030 490 S CA 1.644 59.978 58.200 0.223 0.000 1.002 490 S CB -0.053 63.230 63.200 0.138 0.000 0.829 490 S HN 0.767 nan 8.310 nan 0.000 0.467 491 S N 1.908 117.693 115.700 0.141 0.000 2.400 491 S HA -0.076 4.394 4.470 -0.000 0.000 0.232 491 S C 1.689 176.369 174.600 0.134 0.000 1.025 491 S CA 0.772 59.033 58.200 0.103 0.000 0.993 491 S CB -0.314 62.921 63.200 0.058 0.000 0.808 491 S HN 0.480 nan 8.310 nan 0.000 0.478 492 R N -0.865 119.759 120.500 0.206 0.000 2.223 492 R HA 0.160 4.500 4.340 -0.000 0.000 0.198 492 R C 2.057 178.538 176.300 0.303 0.000 0.984 492 R CA 0.566 56.795 56.100 0.216 0.000 1.018 492 R CB -0.212 30.234 30.300 0.243 0.000 0.945 492 R HN 0.685 nan 8.270 nan 0.000 0.479 493 W N 2.665 124.115 121.300 0.249 0.000 2.444 493 W HA -0.105 4.555 4.660 -0.000 0.000 0.308 493 W C 1.097 177.793 176.519 0.296 0.000 1.183 493 W CA 1.057 58.575 57.345 0.289 0.000 1.340 493 W CB 0.006 29.668 29.460 0.337 0.000 1.138 493 W HN -0.096 nan 8.180 nan 0.000 0.510 494 K N 0.151 120.613 120.400 0.103 0.000 2.034 494 K HA -0.201 4.119 4.320 -0.000 0.000 0.214 494 K C -1.080 175.447 176.600 -0.122 0.000 1.051 494 K CA 2.162 58.415 56.287 -0.057 0.000 0.931 494 K CB -1.550 30.987 32.500 0.062 0.000 0.715 494 K HN 0.161 nan 8.250 nan 0.000 0.446 495 P HA -0.025 nan 4.420 nan 0.000 0.254 495 P C 0.238 177.458 177.300 -0.134 0.000 1.620 495 P CA -0.148 62.879 63.100 -0.122 0.000 1.050 495 P CB -0.576 31.073 31.700 -0.084 0.000 1.539 496 W N 0.131 121.269 121.300 -0.269 0.000 2.425 496 W HA -0.059 4.601 4.660 -0.000 0.000 0.277 496 W C 0.526 176.933 176.519 -0.187 0.000 1.231 496 W CA 0.132 57.322 57.345 -0.258 0.000 1.248 496 W CB -1.337 27.942 29.460 -0.301 0.000 1.117 496 W HN -0.143 nan 8.180 nan 0.000 0.568 497 L N 2.029 122.726 121.223 -0.878 0.000 2.362 497 L HA -0.142 4.198 4.340 -0.000 0.000 0.219 497 L C 2.226 178.856 176.870 -0.401 0.000 1.134 497 L CA 1.142 55.504 54.840 -0.798 0.000 0.807 497 L CB -0.520 41.181 42.059 -0.597 0.000 0.927 497 L HN -0.003 nan 8.230 nan 0.000 0.447 498 V N -4.659 114.986 119.914 -0.449 0.000 3.376 498 V HA 0.185 4.305 4.120 -0.000 0.000 0.313 498 V C 0.869 176.914 176.094 -0.082 0.000 1.393 498 V CA -0.433 61.618 62.300 -0.415 0.000 1.125 498 V CB -0.238 31.145 31.823 -0.734 0.000 1.037 498 V HN 0.137 nan 8.190 nan 0.000 0.440 499 Q N 1.666 121.441 119.800 -0.041 0.000 2.394 499 Q HA 0.246 4.586 4.340 -0.000 0.000 0.248 499 Q C -0.267 175.693 176.000 -0.065 0.000 0.992 499 Q CA 0.065 55.879 55.803 0.018 0.000 0.888 499 Q CB 0.896 29.635 28.738 0.001 0.000 1.257 499 Q HN 0.536 nan 8.270 nan 0.000 0.462 500 D N 1.311 121.523 120.400 -0.313 0.000 2.425 500 D HA -0.059 4.581 4.640 -0.000 0.000 0.247 500 D C 0.147 176.278 176.300 -0.281 0.000 1.147 500 D CA 0.225 53.803 54.000 -0.703 0.000 0.879 500 D CB 0.745 41.005 40.800 -0.901 0.000 1.179 500 D HN 0.173 nan 8.370 nan 0.000 0.456 501 Q N 3.327 123.012 119.800 -0.191 0.000 2.222 501 Q HA 0.098 4.438 4.340 -0.000 0.000 0.206 501 Q C 1.395 177.360 176.000 -0.059 0.000 0.877 501 Q CA -0.024 55.751 55.803 -0.047 0.000 0.958 501 Q CB 0.223 28.982 28.738 0.035 0.000 1.075 501 Q HN 0.511 nan 8.270 nan 0.000 0.483 502 R N 0.629 121.058 120.500 -0.118 0.000 2.120 502 R HA -0.136 4.204 4.340 -0.000 0.000 0.234 502 R C 1.971 178.233 176.300 -0.063 0.000 1.123 502 R CA 1.114 57.161 56.100 -0.090 0.000 0.975 502 R CB 0.141 30.376 30.300 -0.108 0.000 0.866 502 R HN 0.372 nan 8.270 nan 0.000 0.446 503 E N 0.544 120.709 120.200 -0.059 0.000 2.077 503 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 503 E C 1.825 178.414 176.600 -0.018 0.000 0.989 503 E CA 1.232 57.608 56.400 -0.040 0.000 0.800 503 E CB -0.007 29.669 29.700 -0.040 0.000 0.746 503 E HN 0.357 nan 8.360 nan 0.000 0.452 504 A N 1.287 124.109 122.820 0.003 0.000 1.898 504 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 504 A C 2.068 179.644 177.584 -0.015 0.000 1.181 504 A CA 1.584 53.633 52.037 0.021 0.000 0.620 504 A CB -0.607 18.431 19.000 0.063 0.000 0.819 504 A HN 0.456 nan 8.150 nan 0.000 0.442 505 E N 0.571 120.753 120.200 -0.029 0.000 2.160 505 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 505 E C 1.922 178.483 176.600 -0.064 0.000 0.991 505 E CA 1.501 57.870 56.400 -0.053 0.000 0.810 505 E CB -0.112 29.556 29.700 -0.054 0.000 0.742 505 E HN 0.734 nan 8.360 nan 0.000 0.466 506 S N -0.208 115.462 115.700 -0.050 0.000 2.561 506 S HA 0.022 4.492 4.470 -0.000 0.000 0.225 506 S C 0.746 175.320 174.600 -0.042 0.000 0.977 506 S CA -0.160 58.010 58.200 -0.050 0.000 0.926 506 S CB -0.076 63.098 63.200 -0.043 0.000 0.769 506 S HN 0.096 nan 8.310 nan 0.000 0.533 507 R N 1.874 122.353 120.500 -0.035 0.000 2.457 507 R HA 0.345 4.685 4.340 -0.000 0.000 0.284 507 R C -1.852 174.434 176.300 -0.022 0.000 1.024 507 R CA -2.059 54.029 56.100 -0.020 0.000 1.025 507 R CB 0.423 30.723 30.300 0.001 0.000 1.063 507 R HN 0.120 nan 8.270 nan 0.000 0.493 508 P HA -0.067 nan 4.420 nan 0.000 0.241 508 P C -0.302 177.043 177.300 0.075 0.000 1.191 508 P CA 0.841 63.956 63.100 0.026 0.000 0.771 508 P CB 0.249 31.969 31.700 0.032 0.000 0.929 509 D N -0.684 119.754 120.400 0.063 0.000 2.358 509 D HA 0.106 4.746 4.640 -0.000 0.000 0.224 509 D C 0.039 176.259 176.300 -0.133 0.000 1.123 509 D CA -0.654 53.422 54.000 0.127 0.000 0.833 509 D CB -0.217 40.685 40.800 0.171 0.000 0.946 509 D HN -0.039 nan 8.370 nan 0.000 0.505 510 V N 0.652 120.430 119.914 -0.225 0.000 2.709 510 V HA 0.417 4.537 4.120 -0.000 0.000 0.308 510 V C -0.242 175.674 176.094 -0.297 0.000 1.062 510 V CA -1.191 60.904 62.300 -0.342 0.000 0.901 510 V CB 2.329 34.066 31.823 -0.144 0.000 1.003 510 V HN 0.165 nan 8.190 nan 0.000 0.425 511 V N 1.226 120.956 119.914 -0.306 0.000 2.459 511 V HA 0.838 4.958 4.120 -0.000 0.000 0.295 511 V C -0.165 175.899 176.094 -0.050 0.000 1.029 511 V CA -0.197 62.046 62.300 -0.095 0.000 0.874 511 V CB 1.499 33.392 31.823 0.117 0.000 0.985 511 V HN 0.815 nan 8.190 nan 0.000 0.438 512 T N 4.687 119.144 114.554 -0.160 0.000 2.863 512 T HA 0.757 5.107 4.350 -0.000 0.000 0.285 512 T C -1.301 173.259 174.700 -0.234 0.000 1.009 512 T CA -0.143 61.900 62.100 -0.095 0.000 0.989 512 T CB 1.248 70.055 68.868 -0.103 0.000 1.004 512 T HN 0.671 nan 8.240 nan 0.000 0.455 513 Y N 1.215 121.544 120.300 0.048 0.000 2.512 513 Y HA 0.589 5.139 4.550 -0.000 0.000 0.348 513 Y C 0.229 176.123 175.900 -0.011 0.000 0.990 513 Y CA -1.125 56.995 58.100 0.034 0.000 1.033 513 Y CB 1.926 40.380 38.460 -0.011 0.000 1.259 513 Y HN 0.717 nan 8.280 nan 0.000 0.461 514 E N -0.773 119.500 120.200 0.122 0.000 2.392 514 E HA 0.526 4.876 4.350 -0.000 0.000 0.279 514 E C -1.251 175.355 176.600 0.011 0.000 0.964 514 E CA -1.181 55.245 56.400 0.043 0.000 0.777 514 E CB 1.904 31.622 29.700 0.030 0.000 1.249 514 E HN 0.539 nan 8.360 nan 0.000 0.449 515 T N -0.402 114.135 114.554 -0.029 0.000 2.732 515 T HA 0.240 4.590 4.350 -0.000 0.000 0.287 515 T C 0.425 175.127 174.700 0.002 0.000 0.993 515 T CA -0.778 61.299 62.100 -0.038 0.000 0.966 515 T CB 0.784 69.612 68.868 -0.068 0.000 1.047 515 T HN 0.457 nan 8.240 nan 0.000 0.527 516 E N 0.069 120.276 120.200 0.013 0.000 2.376 516 E HA 0.233 4.583 4.350 -0.000 0.000 0.254 516 E C 0.154 176.779 176.600 0.042 0.000 1.213 516 E CA -0.504 55.912 56.400 0.027 0.000 0.945 516 E CB 1.095 30.813 29.700 0.030 0.000 1.057 516 E HN 0.614 nan 8.360 nan 0.000 0.479 517 V N 1.906 121.849 119.914 0.048 0.000 2.529 517 V HA 0.030 4.150 4.120 -0.000 0.000 0.292 517 V C 0.106 176.247 176.094 0.078 0.000 1.028 517 V CA -0.188 62.153 62.300 0.067 0.000 1.074 517 V CB -0.364 31.494 31.823 0.059 0.000 0.958 517 V HN 0.398 nan 8.190 nan 0.000 0.481 518 L N 6.361 127.648 121.223 0.106 0.000 2.462 518 L HA 0.222 4.562 4.340 -0.000 0.000 0.272 518 L C 1.068 177.993 176.870 0.093 0.000 1.166 518 L CA -0.049 54.856 54.840 0.107 0.000 0.880 518 L CB 0.175 42.317 42.059 0.138 0.000 1.142 518 L HN 0.697 nan 8.230 nan 0.000 0.473 519 D N 1.021 121.466 120.400 0.075 0.000 2.305 519 D HA 0.025 4.665 4.640 -0.000 0.000 0.206 519 D C 0.434 176.766 176.300 0.054 0.000 0.974 519 D CA 1.012 55.047 54.000 0.059 0.000 0.871 519 D CB 0.556 41.385 40.800 0.048 0.000 0.947 519 D HN 0.465 nan 8.370 nan 0.000 0.516 520 E N 0.492 120.728 120.200 0.059 0.000 2.317 520 E HA 0.334 4.684 4.350 -0.000 0.000 0.270 520 E C -2.477 174.158 176.600 0.060 0.000 0.885 520 E CA -1.960 54.468 56.400 0.046 0.000 0.760 520 E CB 2.577 32.295 29.700 0.031 0.000 1.227 520 E HN -0.070 nan 8.360 nan 0.000 0.434 521 P HA 0.118 nan 4.420 nan 0.000 0.274 521 P C -0.342 177.002 177.300 0.073 0.000 1.231 521 P CA -0.424 62.708 63.100 0.052 0.000 0.790 521 P CB 0.741 32.443 31.700 0.004 0.000 0.951 522 V N 1.139 121.139 119.914 0.144 0.000 2.444 522 V HA 0.556 4.676 4.120 -0.000 0.000 0.294 522 V C -0.367 175.847 176.094 0.201 0.000 1.022 522 V CA -0.922 61.472 62.300 0.157 0.000 0.850 522 V CB 1.507 33.454 31.823 0.207 0.000 0.992 522 V HN 0.359 nan 8.190 nan 0.000 0.426 523 R N 4.190 124.753 120.500 0.105 0.000 2.312 523 R HA 0.787 5.127 4.340 -0.000 0.000 0.311 523 R C -0.669 175.696 176.300 0.108 0.000 1.004 523 R CA -0.565 55.580 56.100 0.075 0.000 0.902 523 R CB 1.983 32.300 30.300 0.029 0.000 1.073 523 R HN 0.922 nan 8.270 nan 0.000 0.457 524 V N -1.195 118.795 119.914 0.127 0.000 2.656 524 V HA 0.744 4.864 4.120 -0.000 0.000 0.307 524 V C -0.461 175.690 176.094 0.095 0.000 1.051 524 V CA -0.677 61.702 62.300 0.132 0.000 0.893 524 V CB 2.047 34.011 31.823 0.235 0.000 0.999 524 V HN 0.708 nan 8.190 nan 0.000 0.426 525 S N 2.316 118.056 115.700 0.068 0.000 2.536 525 S HA 0.836 5.306 4.470 -0.000 0.000 0.246 525 S C -0.207 174.411 174.600 0.029 0.000 1.077 525 S CA 0.601 58.874 58.200 0.121 0.000 1.091 525 S CB 0.433 63.699 63.200 0.109 0.000 1.148 525 S HN 2.430 nan 8.310 nan 0.000 0.447 526 G N 1.449 110.300 108.800 0.086 0.000 2.350 526 G HA2 0.350 4.310 3.960 -0.000 0.000 0.276 526 G HA3 0.350 4.310 3.960 -0.000 0.000 0.276 526 G C -1.176 173.684 174.900 -0.067 0.000 1.313 526 G CA 0.063 45.039 45.100 -0.207 0.000 0.903 526 G HN 1.710 nan 8.290 nan 0.000 0.490 527 V N -0.191 119.635 119.914 -0.147 0.000 2.384 527 V HA 0.823 4.943 4.120 -0.000 0.000 0.287 527 V C -2.535 173.520 176.094 -0.065 0.000 1.020 527 V CA -1.930 60.329 62.300 -0.069 0.000 0.850 527 V CB 1.476 33.248 31.823 -0.083 0.000 0.987 527 V HN 0.621 nan 8.190 nan 0.000 0.436 528 P HA 0.486 nan 4.420 nan 0.000 0.277 528 P C -0.958 176.283 177.300 -0.100 0.000 1.240 528 P CA -0.310 62.756 63.100 -0.056 0.000 0.798 528 P CB 1.413 33.099 31.700 -0.024 0.000 0.979 529 V N 1.267 121.077 119.914 -0.173 0.000 2.531 529 V HA 0.586 4.706 4.120 -0.000 0.000 0.301 529 V C 0.082 175.922 176.094 -0.424 0.000 1.034 529 V CA -1.049 61.064 62.300 -0.310 0.000 0.865 529 V CB 1.580 33.197 31.823 -0.343 0.000 0.995 529 V HN 0.677 nan 8.190 nan 0.000 0.424 530 A N 2.727 125.155 122.820 -0.654 0.000 2.362 530 A HA 0.564 4.884 4.320 -0.000 0.000 0.276 530 A C -0.281 176.894 177.584 -0.682 0.000 1.153 530 A CA -0.008 51.596 52.037 -0.722 0.000 0.813 530 A CB 0.064 18.340 19.000 -1.207 0.000 1.081 530 A HN 0.849 nan 8.150 nan 0.000 0.507 531 D N 2.298 122.475 120.400 -0.372 0.000 2.438 531 D HA 0.452 5.092 4.640 -0.000 0.000 0.257 531 D C -1.197 175.019 176.300 -0.139 0.000 1.148 531 D CA -0.052 53.855 54.000 -0.155 0.000 0.902 531 D CB 0.655 41.483 40.800 0.047 0.000 1.062 531 D HN 0.351 nan 8.370 nan 0.000 0.518 532 L N 3.728 124.824 121.223 -0.211 0.000 2.322 532 L HA 0.642 4.982 4.340 -0.000 0.000 0.281 532 L C -1.652 175.085 176.870 -0.221 0.000 1.014 532 L CA -0.462 54.285 54.840 -0.155 0.000 0.815 532 L CB 0.875 42.824 42.059 -0.184 0.000 1.247 532 L HN 0.140 nan 8.230 nan 0.000 0.421 533 F N 5.090 125.058 119.950 0.029 0.000 2.382 533 F HA 0.783 5.310 4.527 -0.000 0.000 0.361 533 F C 0.256 176.034 175.800 -0.037 0.000 1.109 533 F CA -0.236 57.776 58.000 0.020 0.000 1.031 533 F CB 1.577 40.564 39.000 -0.021 0.000 1.234 533 F HN 0.659 nan 8.300 nan 0.000 0.445 534 A N 2.160 125.000 122.820 0.033 0.000 2.515 534 A HA 0.956 5.276 4.320 -0.000 0.000 0.298 534 A C -1.457 176.142 177.584 0.025 0.000 1.059 534 A CA -0.657 51.293 52.037 -0.146 0.000 0.698 534 A CB 1.365 19.826 19.000 -0.899 0.000 1.289 534 A HN 0.813 nan 8.150 nan 0.000 0.404 535 A N 0.294 123.181 122.820 0.112 0.000 2.380 535 A HA 0.931 5.251 4.320 -0.000 0.000 0.315 535 A C -0.204 177.562 177.584 0.304 0.000 1.101 535 A CA -0.197 51.960 52.037 0.200 0.000 0.771 535 A CB 1.638 20.719 19.000 0.135 0.000 1.287 535 A HN 1.594 nan 8.150 nan 0.000 0.436 536 T N -0.767 113.964 114.554 0.295 0.000 2.900 536 T HA 0.459 4.809 4.350 -0.000 0.000 0.295 536 T C 1.040 175.818 174.700 0.130 0.000 1.044 536 T CA 0.265 62.501 62.100 0.226 0.000 0.995 536 T CB 1.315 70.322 68.868 0.231 0.000 1.072 536 T HN 1.327 nan 8.240 nan 0.000 0.473 537 S N 2.046 117.792 115.700 0.077 0.000 2.527 537 S HA 0.283 4.753 4.470 -0.000 0.000 0.222 537 S C 1.145 175.776 174.600 0.052 0.000 0.985 537 S CA 0.201 58.434 58.200 0.056 0.000 0.921 537 S CB -0.252 62.971 63.200 0.038 0.000 0.772 537 S HN 0.913 nan 8.310 nan 0.000 0.529 538 G N 0.997 109.828 108.800 0.053 0.000 2.532 538 G HA2 0.435 4.395 3.960 -0.000 0.000 0.291 538 G HA3 0.435 4.395 3.960 -0.000 0.000 0.291 538 G C 0.500 175.440 174.900 0.068 0.000 1.349 538 G CA 0.078 45.206 45.100 0.047 0.000 1.038 538 G HN 0.371 nan 8.290 nan 0.000 0.518 539 T N -2.940 111.658 114.554 0.073 0.000 3.092 539 T HA 0.327 4.677 4.350 -0.000 0.000 0.258 539 T C -0.168 174.615 174.700 0.139 0.000 1.031 539 T CA -0.011 62.145 62.100 0.094 0.000 0.925 539 T CB 0.293 69.219 68.868 0.097 0.000 1.036 539 T HN 0.403 nan 8.240 nan 0.000 0.544 540 D N -0.525 119.944 120.400 0.114 0.000 2.653 540 D HA 0.642 5.282 4.640 -0.000 0.000 0.258 540 D C -1.614 174.691 176.300 0.009 0.000 1.252 540 D CA -0.208 53.860 54.000 0.113 0.000 0.777 540 D CB 2.096 42.966 40.800 0.116 0.000 1.339 540 D HN 0.028 nan 8.370 nan 0.000 0.422 541 S N 0.323 115.987 115.700 -0.060 0.000 2.614 541 S HA 0.351 4.821 4.470 -0.000 0.000 0.280 541 S C -2.011 172.303 174.600 -0.477 0.000 1.111 541 S CA -0.782 57.215 58.200 -0.338 0.000 0.847 541 S CB 1.312 64.136 63.200 -0.627 0.000 1.079 541 S HN 0.385 nan 8.310 nan 0.000 0.452 542 D N 0.434 120.502 120.400 -0.554 0.000 2.268 542 D HA 0.614 5.254 4.640 -0.000 0.000 0.249 542 D C -1.164 174.712 176.300 -0.706 0.000 1.008 542 D CA 0.027 53.778 54.000 -0.415 0.000 0.939 542 D CB 0.832 41.524 40.800 -0.180 0.000 1.170 542 D HN 0.437 nan 8.370 nan 0.000 0.468 543 W N 0.672 121.937 121.300 -0.058 0.000 2.756 543 W HA 0.451 5.111 4.660 -0.000 0.000 0.333 543 W C -1.057 175.418 176.519 -0.073 0.000 1.025 543 W CA -0.854 56.449 57.345 -0.070 0.000 1.246 543 W CB 1.287 30.641 29.460 -0.177 0.000 1.358 543 W HN -0.076 nan 8.180 nan 0.000 0.444 544 V N 4.467 124.425 119.914 0.072 0.000 2.398 544 V HA 0.573 4.693 4.120 -0.000 0.000 0.286 544 V C -0.324 175.742 176.094 -0.047 0.000 1.026 544 V CA -0.939 61.255 62.300 -0.178 0.000 0.868 544 V CB 1.403 32.848 31.823 -0.631 0.000 0.982 544 V HN 0.294 nan 8.190 nan 0.000 0.443 545 V N 5.487 125.418 119.914 0.028 0.000 2.588 545 V HA 0.544 4.664 4.120 -0.000 0.000 0.304 545 V C -0.377 175.753 176.094 0.060 0.000 1.042 545 V CA -0.933 61.413 62.300 0.075 0.000 0.877 545 V CB 2.022 33.927 31.823 0.137 0.000 0.996 545 V HN 0.880 nan 8.190 nan 0.000 0.425 546 K N 4.434 124.867 120.400 0.054 0.000 2.426 546 K HA 0.626 4.946 4.320 -0.000 0.000 0.254 546 K C -1.367 175.290 176.600 0.095 0.000 0.936 546 K CA -0.818 55.531 56.287 0.102 0.000 0.801 546 K CB 2.637 35.208 32.500 0.119 0.000 1.139 546 K HN 0.447 nan 8.250 nan 0.000 0.424 547 L N 4.833 126.123 121.223 0.111 0.000 2.264 547 L HA 0.505 4.845 4.340 -0.000 0.000 0.289 547 L C -1.155 175.813 176.870 0.163 0.000 1.044 547 L CA -0.178 54.727 54.840 0.108 0.000 0.807 547 L CB 0.468 42.591 42.059 0.107 0.000 1.192 547 L HN 0.594 nan 8.230 nan 0.000 0.425 548 I N 3.899 124.572 120.570 0.173 0.000 2.646 548 I HA 0.345 4.515 4.170 -0.000 0.000 0.299 548 I C -0.980 175.343 176.117 0.343 0.000 1.036 548 I CA -0.736 60.695 61.300 0.218 0.000 1.074 548 I CB 2.134 40.228 38.000 0.156 0.000 1.258 548 I HN 0.512 nan 8.210 nan 0.000 0.430 549 D N 5.442 126.079 120.400 0.396 0.000 2.427 549 D HA 0.272 4.912 4.640 -0.000 0.000 0.226 549 D C -0.891 175.643 176.300 0.391 0.000 1.076 549 D CA -0.291 54.041 54.000 0.554 0.000 0.849 549 D CB 1.458 42.533 40.800 0.459 0.000 1.052 549 D HN 0.066 nan 8.370 nan 0.000 0.515 550 V N 5.122 125.231 119.914 0.324 0.000 2.455 550 V HA 0.111 4.231 4.120 -0.000 0.000 0.273 550 V C 0.802 176.980 176.094 0.139 0.000 1.045 550 V CA -0.700 61.720 62.300 0.200 0.000 0.976 550 V CB 1.000 32.899 31.823 0.126 0.000 0.993 550 V HN 0.495 nan 8.190 nan 0.000 0.475 551 Q N 5.378 125.215 119.800 0.061 0.000 2.492 551 Q HA 0.243 4.583 4.340 -0.000 0.000 0.238 551 Q C -2.230 173.610 176.000 -0.268 0.000 1.045 551 Q CA -1.901 53.773 55.803 -0.216 0.000 0.934 551 Q CB -0.154 28.547 28.738 -0.062 0.000 1.276 551 Q HN 0.438 nan 8.270 nan 0.000 0.521 552 P HA -0.065 nan 4.420 nan 0.000 0.266 552 P C 0.046 177.296 177.300 -0.083 0.000 1.193 552 P CA 0.499 63.484 63.100 -0.191 0.000 0.770 552 P CB 0.420 32.031 31.700 -0.148 0.000 0.836 553 A N 3.590 126.387 122.820 -0.038 0.000 1.940 553 A HA -0.170 4.150 4.320 -0.000 0.000 0.221 553 A C 0.974 178.550 177.584 -0.014 0.000 1.190 553 A CA 1.841 53.868 52.037 -0.016 0.000 0.647 553 A CB -0.675 18.322 19.000 -0.007 0.000 0.821 553 A HN 0.497 nan 8.150 nan 0.000 0.457 554 M N -0.396 119.193 119.600 -0.018 0.000 2.395 554 M HA 0.347 4.827 4.480 -0.000 0.000 0.307 554 M C -0.831 175.456 176.300 -0.022 0.000 1.091 554 M CA -0.053 55.238 55.300 -0.014 0.000 0.919 554 M CB 1.686 34.281 32.600 -0.008 0.000 1.662 554 M HN 0.277 nan 8.290 nan 0.000 0.440 555 T N -1.099 113.442 114.554 -0.020 0.000 3.317 555 T HA 0.395 4.745 4.350 -0.000 0.000 0.361 555 T C -2.106 172.584 174.700 -0.018 0.000 1.499 555 T CA -1.293 60.793 62.100 -0.024 0.000 1.529 555 T CB 0.528 69.375 68.868 -0.036 0.000 0.997 555 T HN 0.383 nan 8.240 nan 0.000 0.624 556 P HA -0.032 nan 4.420 nan 0.000 0.225 556 P C 0.440 177.733 177.300 -0.012 0.000 1.148 556 P CA 0.866 63.960 63.100 -0.010 0.000 0.779 556 P CB 0.280 31.976 31.700 -0.006 0.000 0.780 557 D N -0.686 119.706 120.400 -0.014 0.000 2.289 557 D HA -0.033 4.607 4.640 -0.000 0.000 0.207 557 D C 0.415 176.700 176.300 -0.024 0.000 0.966 557 D CA 1.180 55.170 54.000 -0.016 0.000 0.868 557 D CB -0.126 40.666 40.800 -0.013 0.000 0.943 557 D HN 0.175 nan 8.370 nan 0.000 0.514 558 D N -1.128 119.254 120.400 -0.030 0.000 2.714 558 D HA 0.147 4.787 4.640 -0.000 0.000 0.264 558 D C -2.084 174.195 176.300 -0.036 0.000 1.231 558 D CA -1.781 52.194 54.000 -0.041 0.000 0.802 558 D CB 1.201 41.963 40.800 -0.063 0.000 1.319 558 D HN -0.238 nan 8.370 nan 0.000 0.528 559 P HA -0.218 nan 4.420 nan 0.000 0.218 559 P C 1.256 178.552 177.300 -0.007 0.000 1.150 559 P CA 1.492 64.584 63.100 -0.014 0.000 0.841 559 P CB 0.106 31.799 31.700 -0.011 0.000 0.784 560 K N -1.279 119.115 120.400 -0.009 0.000 2.362 560 K HA -0.047 4.273 4.320 -0.000 0.000 0.200 560 K C 1.457 178.083 176.600 0.044 0.000 1.046 560 K CA 1.195 57.490 56.287 0.013 0.000 0.952 560 K CB -0.526 31.975 32.500 0.003 0.000 0.753 560 K HN 0.064 nan 8.250 nan 0.000 0.466 561 M N 1.589 121.186 119.600 -0.006 0.000 2.556 561 M HA 0.110 4.590 4.480 -0.000 0.000 0.245 561 M C 0.730 177.063 176.300 0.055 0.000 1.128 561 M CA 0.219 55.511 55.300 -0.013 0.000 1.069 561 M CB -0.399 32.119 32.600 -0.138 0.000 1.469 561 M HN 0.218 nan 8.290 nan 0.000 0.494 562 G N 0.439 109.259 108.800 0.033 0.000 2.254 562 G HA2 0.296 4.256 3.960 -0.000 0.000 0.253 562 G HA3 0.296 4.256 3.960 -0.000 0.000 0.253 562 G C 1.128 176.056 174.900 0.046 0.000 1.246 562 G CA 0.436 45.549 45.100 0.021 0.000 0.946 562 G HN 0.704 nan 8.290 nan 0.000 0.474 563 G N 1.692 110.512 108.800 0.033 0.000 2.168 563 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.263 563 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.263 563 G C 0.477 175.427 174.900 0.083 0.000 0.977 563 G CA 0.705 45.828 45.100 0.037 0.000 0.659 563 G HN 1.117 nan 8.290 nan 0.000 0.533 564 Y N 1.664 121.952 120.300 -0.020 0.000 2.717 564 Y HA 0.348 4.898 4.550 -0.000 0.000 0.330 564 Y C 0.804 176.717 175.900 0.021 0.000 1.217 564 Y CA 0.578 58.674 58.100 -0.007 0.000 1.506 564 Y CB 0.482 38.932 38.460 -0.017 0.000 1.268 564 Y HN 0.330 nan 8.280 nan 0.000 0.561 565 E N 6.836 126.970 120.200 -0.111 0.000 1.986 565 E HA 0.147 4.497 4.350 -0.000 0.000 0.264 565 E C -1.299 175.332 176.600 0.052 0.000 1.023 565 E CA -0.601 55.803 56.400 0.007 0.000 0.834 565 E CB 0.478 30.154 29.700 -0.040 0.000 1.111 565 E HN 0.409 nan 8.360 nan 0.000 0.417 566 L N 5.315 126.706 121.223 0.281 0.000 2.283 566 L HA 0.319 4.659 4.340 -0.000 0.000 0.287 566 L C -2.560 174.447 176.870 0.229 0.000 1.073 566 L CA -2.099 52.930 54.840 0.315 0.000 0.822 566 L CB 0.323 42.585 42.059 0.339 0.000 1.186 566 L HN 0.157 nan 8.230 nan 0.000 0.436 567 P HA 0.071 nan 4.420 nan 0.000 0.276 567 P C 0.555 178.035 177.300 0.299 0.000 1.243 567 P CA -0.185 63.046 63.100 0.219 0.000 0.768 567 P CB 1.048 32.868 31.700 0.202 0.000 0.856 568 V N 0.477 120.503 119.914 0.187 0.000 3.431 568 V HA 0.259 4.379 4.120 -0.000 0.000 0.253 568 V C 0.556 176.654 176.094 0.007 0.000 1.184 568 V CA 0.597 62.937 62.300 0.068 0.000 1.104 568 V CB 0.002 31.697 31.823 -0.213 0.000 0.799 568 V HN 0.530 nan 8.190 nan 0.000 0.462 569 S N 1.207 116.963 115.700 0.092 0.000 2.626 569 S HA 0.770 5.240 4.470 -0.000 0.000 0.275 569 S C -0.954 173.748 174.600 0.170 0.000 1.175 569 S CA -0.656 57.601 58.200 0.094 0.000 0.982 569 S CB 1.152 64.386 63.200 0.057 0.000 1.093 569 S HN 0.608 nan 8.310 nan 0.000 0.472 570 M N 2.829 122.573 119.600 0.240 0.000 2.470 570 M HA 0.770 5.250 4.480 -0.000 0.000 0.285 570 M C -1.687 174.900 176.300 0.478 0.000 1.213 570 M CA -0.745 54.754 55.300 0.333 0.000 0.901 570 M CB 2.223 35.061 32.600 0.397 0.000 1.718 570 M HN 0.485 nan 8.290 nan 0.000 0.469 571 D N 0.723 121.402 120.400 0.465 0.000 2.665 571 D HA 0.679 5.319 4.640 -0.000 0.000 0.287 571 D C -2.006 174.523 176.300 0.383 0.000 1.266 571 D CA -0.392 53.961 54.000 0.588 0.000 0.830 571 D CB 3.037 44.221 40.800 0.641 0.000 1.356 571 D HN 0.858 nan 8.370 nan 0.000 0.437 572 I N 0.745 121.527 120.570 0.353 0.000 2.689 572 I HA 0.646 4.816 4.170 -0.000 0.000 0.299 572 I C -1.643 174.523 176.117 0.082 0.000 1.059 572 I CA -0.923 60.425 61.300 0.080 0.000 1.055 572 I CB 1.817 39.733 38.000 -0.139 0.000 1.243 572 I HN 0.302 nan 8.210 nan 0.000 0.425 573 F N 6.557 126.364 119.950 -0.238 0.000 2.539 573 F HA 0.513 5.040 4.527 -0.000 0.000 0.318 573 F C -0.480 175.279 175.800 -0.068 0.000 1.135 573 F CA -0.754 57.057 58.000 -0.316 0.000 0.915 573 F CB 1.216 39.606 39.000 -1.016 0.000 1.176 573 F HN 0.424 nan 8.300 nan 0.000 0.440 574 R N 4.161 124.492 120.500 -0.281 0.000 2.248 574 R HA 0.298 4.638 4.340 -0.000 0.000 0.337 574 R C 1.332 177.713 176.300 0.134 0.000 1.085 574 R CA 0.655 56.742 56.100 -0.022 0.000 0.934 574 R CB 0.717 31.064 30.300 0.078 0.000 1.034 574 R HN 0.985 nan 8.270 nan 0.000 0.465 575 G N 5.144 114.132 108.800 0.314 0.000 2.547 575 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.221 575 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.221 575 G C 1.253 176.391 174.900 0.398 0.000 1.140 575 G CA 1.163 46.601 45.100 0.564 0.000 0.760 575 G HN 0.809 nan 8.290 nan 0.000 0.583 576 R N -0.542 120.015 120.500 0.097 0.000 2.200 576 R HA -0.075 4.265 4.340 -0.000 0.000 0.234 576 R C 1.330 177.554 176.300 -0.125 0.000 1.127 576 R CA 1.353 57.430 56.100 -0.038 0.000 0.989 576 R CB -0.638 29.584 30.300 -0.131 0.000 0.869 576 R HN 0.503 nan 8.270 nan 0.000 0.459 577 Y N 0.626 121.088 120.300 0.271 0.000 2.495 577 Y HA 0.262 4.812 4.550 -0.000 0.000 0.293 577 Y C 2.263 178.302 175.900 0.231 0.000 1.186 577 Y CA -0.545 57.692 58.100 0.228 0.000 1.266 577 Y CB 0.002 38.648 38.460 0.310 0.000 1.101 577 Y HN 0.001 nan 8.280 nan 0.000 0.517 578 R N 1.160 121.909 120.500 0.415 0.000 2.103 578 R HA -0.201 4.139 4.340 -0.000 0.000 0.242 578 R C 1.494 177.786 176.300 -0.012 0.000 1.142 578 R CA 1.863 58.110 56.100 0.246 0.000 0.960 578 R CB 0.132 30.439 30.300 0.011 0.000 0.858 578 R HN 0.323 nan 8.270 nan 0.000 0.439 579 K N -1.400 118.986 120.400 -0.023 0.000 2.168 579 K HA 0.027 4.347 4.320 -0.000 0.000 0.201 579 K C -0.047 176.502 176.600 -0.086 0.000 1.049 579 K CA 0.525 56.769 56.287 -0.072 0.000 0.974 579 K CB 0.389 32.861 32.500 -0.048 0.000 0.792 579 K HN 0.018 nan 8.250 nan 0.000 0.463 580 D N -1.202 119.176 120.400 -0.037 0.000 2.970 580 D HA 0.117 4.757 4.640 -0.000 0.000 0.230 580 D C -0.105 176.261 176.300 0.110 0.000 1.276 580 D CA -0.514 53.474 54.000 -0.020 0.000 0.910 580 D CB 0.975 41.807 40.800 0.054 0.000 1.590 580 D HN -0.200 nan 8.370 nan 0.000 0.551 581 F N 1.933 122.012 119.950 0.216 0.000 2.293 581 F HA 0.047 4.574 4.527 -0.000 0.000 0.300 581 F C 2.369 178.166 175.800 -0.005 0.000 1.086 581 F CA 1.014 59.066 58.000 0.087 0.000 1.375 581 F CB -0.341 38.569 39.000 -0.150 0.000 1.045 581 F HN 0.493 nan 8.300 nan 0.000 0.516 582 A N -1.352 121.607 122.820 0.231 0.000 2.132 582 A HA 0.079 4.399 4.320 -0.000 0.000 0.213 582 A C 0.918 178.609 177.584 0.179 0.000 1.154 582 A CA 0.488 52.604 52.037 0.133 0.000 0.753 582 A CB -0.009 19.044 19.000 0.087 0.000 0.826 582 A HN -0.050 nan 8.150 nan 0.000 0.469 583 K N 1.320 121.854 120.400 0.224 0.000 2.646 583 K HA 0.307 4.627 4.320 -0.000 0.000 0.210 583 K C -3.222 173.512 176.600 0.223 0.000 1.020 583 K CA -1.856 54.546 56.287 0.192 0.000 1.040 583 K CB 1.717 34.286 32.500 0.115 0.000 1.253 583 K HN 0.173 nan 8.250 nan 0.000 0.532 584 P HA 0.190 nan 4.420 nan 0.000 0.271 584 P C -0.580 176.823 177.300 0.172 0.000 1.218 584 P CA -0.007 63.211 63.100 0.196 0.000 0.780 584 P CB 1.325 33.122 31.700 0.160 0.000 0.901 585 E N 0.090 120.294 120.200 0.007 0.000 2.356 585 E HA 0.549 4.899 4.350 -0.000 0.000 0.275 585 E C -0.754 175.486 176.600 -0.601 0.000 0.904 585 E CA -1.102 55.098 56.400 -0.333 0.000 0.757 585 E CB 2.465 32.057 29.700 -0.180 0.000 1.232 585 E HN 0.491 nan 8.360 nan 0.000 0.442 586 A N 2.392 124.536 122.820 -1.126 0.000 2.406 586 A HA 0.381 4.701 4.320 -0.000 0.000 0.243 586 A C -0.290 177.142 177.584 -0.253 0.000 1.082 586 A CA -0.063 51.498 52.037 -0.793 0.000 0.786 586 A CB 0.206 18.776 19.000 -0.717 0.000 1.029 586 A HN 0.507 nan 8.150 nan 0.000 0.495 587 L N 0.733 121.918 121.223 -0.063 0.000 2.343 587 L HA 0.333 4.673 4.340 -0.000 0.000 0.275 587 L C 0.718 177.598 176.870 0.016 0.000 1.056 587 L CA -0.369 54.490 54.840 0.032 0.000 0.804 587 L CB 1.164 43.320 42.059 0.161 0.000 1.203 587 L HN 0.855 nan 8.230 nan 0.000 0.440 588 Q N 3.731 123.542 119.800 0.020 0.000 2.296 588 Q HA 0.227 4.567 4.340 -0.000 0.000 0.263 588 Q C -2.276 173.753 176.000 0.048 0.000 1.026 588 Q CA -1.632 54.180 55.803 0.015 0.000 0.912 588 Q CB 1.003 29.744 28.738 0.004 0.000 1.198 588 Q HN 0.254 nan 8.270 nan 0.000 0.407 589 P HA -0.055 nan 4.420 nan 0.000 0.266 589 P C -0.769 176.563 177.300 0.054 0.000 1.195 589 P CA 0.344 63.478 63.100 0.056 0.000 0.768 589 P CB 0.514 32.239 31.700 0.041 0.000 0.838 590 D N -1.460 118.981 120.400 0.068 0.000 3.059 590 D HA -0.204 4.436 4.640 -0.000 0.000 0.213 590 D C 0.140 176.474 176.300 0.056 0.000 1.144 590 D CA 1.652 55.688 54.000 0.061 0.000 0.975 590 D CB -1.306 39.520 40.800 0.043 0.000 1.125 590 D HN 0.537 nan 8.370 nan 0.000 0.412 591 A N 0.322 123.178 122.820 0.060 0.000 2.301 591 A HA 0.543 4.863 4.320 -0.000 0.000 0.312 591 A C 0.484 178.105 177.584 0.062 0.000 1.182 591 A CA -0.120 51.943 52.037 0.043 0.000 0.826 591 A CB 0.928 19.944 19.000 0.028 0.000 1.134 591 A HN -0.016 nan 8.150 nan 0.000 0.501 592 T N 3.657 118.234 114.554 0.038 0.000 2.737 592 T HA 0.451 4.801 4.350 -0.000 0.000 0.296 592 T C -0.107 174.633 174.700 0.066 0.000 0.922 592 T CA 0.454 62.588 62.100 0.057 0.000 1.079 592 T CB -0.495 68.367 68.868 -0.011 0.000 0.892 592 T HN 0.414 nan 8.240 nan 0.000 0.514 593 L N 2.765 124.029 121.223 0.070 0.000 2.342 593 L HA 0.449 4.789 4.340 -0.000 0.000 0.271 593 L C 0.401 177.166 176.870 -0.176 0.000 1.008 593 L CA -1.078 53.719 54.840 -0.071 0.000 0.818 593 L CB 1.738 43.676 42.059 -0.201 0.000 1.296 593 L HN 0.640 nan 8.230 nan 0.000 0.427 594 H N 1.956 120.765 119.070 -0.436 0.000 2.652 594 H HA 0.334 4.890 4.556 -0.000 0.000 0.298 594 H C -1.508 173.407 175.328 -0.689 0.000 1.076 594 H CA -0.506 55.150 56.048 -0.653 0.000 1.360 594 H CB 0.610 30.076 29.762 -0.494 0.000 1.421 594 H HN 0.414 nan 8.280 nan 0.000 0.464 595 Y N 3.077 123.076 120.300 -0.502 0.000 2.409 595 Y HA 0.215 4.765 4.550 -0.000 0.000 0.339 595 Y C -0.259 175.335 175.900 -0.509 0.000 1.033 595 Y CA -0.769 57.031 58.100 -0.499 0.000 1.094 595 Y CB 1.530 39.749 38.460 -0.402 0.000 1.210 595 Y HN 0.690 nan 8.280 nan 0.000 0.456 596 H N 4.182 123.011 119.070 -0.402 0.000 3.172 596 H HA 0.504 5.060 4.556 -0.000 0.000 0.322 596 H C -1.784 173.473 175.328 -0.118 0.000 1.003 596 H CA -1.016 54.817 56.048 -0.358 0.000 1.466 596 H CB 0.483 29.972 29.762 -0.455 0.000 1.673 596 H HN 0.510 nan 8.280 nan 0.000 0.512 597 F N 1.298 121.006 119.950 -0.404 0.000 2.619 597 F HA 0.514 5.041 4.527 -0.000 0.000 0.308 597 F C -0.561 175.202 175.800 -0.062 0.000 1.097 597 F CA -1.127 56.750 58.000 -0.205 0.000 0.953 597 F CB 0.964 39.736 39.000 -0.380 0.000 1.287 597 F HN 0.380 nan 8.300 nan 0.000 0.446 598 T N 1.196 115.938 114.554 0.314 0.000 2.913 598 T HA 0.645 4.995 4.350 -0.000 0.000 0.297 598 T C -0.386 174.549 174.700 0.392 0.000 1.029 598 T CA -0.497 61.749 62.100 0.243 0.000 1.104 598 T CB 0.966 69.993 68.868 0.266 0.000 0.964 598 T HN 0.716 nan 8.240 nan 0.000 0.532 599 L N 2.329 123.674 121.223 0.203 0.000 2.313 599 L HA 0.544 4.884 4.340 -0.000 0.000 0.268 599 L C -2.248 174.724 176.870 0.171 0.000 1.010 599 L CA -3.141 51.842 54.840 0.239 0.000 0.814 599 L CB 1.601 43.738 42.059 0.130 0.000 1.304 599 L HN 0.435 nan 8.230 nan 0.000 0.441 600 P HA 0.017 nan 4.420 nan 0.000 0.266 600 P C -0.689 176.624 177.300 0.021 0.000 1.195 600 P CA -0.138 63.014 63.100 0.088 0.000 0.768 600 P CB 0.467 32.212 31.700 0.076 0.000 0.838 601 A N 2.718 125.535 122.820 -0.006 0.000 2.507 601 A HA 0.418 4.738 4.320 -0.000 0.000 0.235 601 A C 0.201 177.752 177.584 -0.055 0.000 1.070 601 A CA 0.134 52.176 52.037 0.009 0.000 0.768 601 A CB -0.292 18.747 19.000 0.066 0.000 1.011 601 A HN 0.483 nan 8.150 nan 0.000 0.502 602 V N -0.742 119.171 119.914 -0.001 0.000 2.925 602 V HA 0.823 4.943 4.120 -0.000 0.000 0.311 602 V C -0.714 175.392 176.094 0.020 0.000 1.104 602 V CA -0.821 61.448 62.300 -0.051 0.000 0.954 602 V CB 2.137 33.951 31.823 -0.015 0.000 1.022 602 V HN 0.884 nan 8.190 nan 0.000 0.427 603 N N 1.225 119.898 118.700 -0.045 0.000 2.722 603 N HA 0.449 5.189 4.740 -0.000 0.000 0.242 603 N C -1.193 174.295 175.510 -0.036 0.000 1.398 603 N CA -0.172 52.874 53.050 -0.006 0.000 0.755 603 N CB 0.491 38.938 38.487 -0.066 0.000 1.268 603 N HN 1.122 nan 8.380 nan 0.000 0.522 604 H N -0.283 118.694 119.070 -0.156 0.000 2.949 604 H HA 0.775 5.331 4.556 -0.000 0.000 0.356 604 H C -1.389 173.793 175.328 -0.244 0.000 1.212 604 H CA -0.685 55.211 56.048 -0.255 0.000 1.136 604 H CB 1.666 31.198 29.762 -0.383 0.000 1.869 604 H HN -0.046 nan 8.280 nan 0.000 0.556 605 V N 2.975 122.352 119.914 -0.896 0.000 2.577 605 V HA 0.273 4.393 4.120 -0.000 0.000 0.303 605 V C -1.036 174.594 176.094 -0.774 0.000 1.042 605 V CA -0.667 61.300 62.300 -0.556 0.000 0.872 605 V CB 1.295 32.904 31.823 -0.358 0.000 0.998 605 V HN 0.573 nan 8.190 nan 0.000 0.423 606 F N 3.631 123.472 119.950 -0.181 0.000 2.375 606 F HA 0.693 5.220 4.527 -0.000 0.000 0.362 606 F C 0.883 176.553 175.800 -0.218 0.000 1.129 606 F CA -0.183 57.743 58.000 -0.123 0.000 1.154 606 F CB 1.051 40.102 39.000 0.084 0.000 1.205 606 F HN 0.590 nan 8.300 nan 0.000 0.513 607 A N 4.163 126.754 122.820 -0.381 0.000 2.272 607 A HA 0.437 4.757 4.320 -0.000 0.000 0.275 607 A C 0.260 177.850 177.584 0.010 0.000 1.096 607 A CA -0.867 51.027 52.037 -0.237 0.000 0.822 607 A CB 0.441 19.245 19.000 -0.327 0.000 1.088 607 A HN 0.706 nan 8.150 nan 0.000 0.495 608 K N -0.366 120.079 120.400 0.074 0.000 2.527 608 K HA 0.296 4.616 4.320 -0.000 0.000 0.278 608 K C 1.176 177.915 176.600 0.232 0.000 0.981 608 K CA 1.245 57.610 56.287 0.129 0.000 1.009 608 K CB 0.090 32.641 32.500 0.084 0.000 0.895 608 K HN 1.389 nan 8.250 nan 0.000 0.493 609 G N 1.467 110.384 108.800 0.196 0.000 2.268 609 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.240 609 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.240 609 G C 0.188 175.191 174.900 0.172 0.000 1.010 609 G CA -0.173 45.025 45.100 0.163 0.000 0.618 609 G HN 0.763 nan 8.290 nan 0.000 0.516 610 H N 0.337 119.470 119.070 0.106 0.000 2.490 610 H HA 0.671 5.227 4.556 -0.000 0.000 0.354 610 H C 0.564 175.970 175.328 0.130 0.000 1.365 610 H CA -0.113 56.020 56.048 0.142 0.000 1.413 610 H CB 0.748 30.639 29.762 0.215 0.000 1.631 610 H HN 0.251 nan 8.280 nan 0.000 0.607 611 R N 0.175 120.838 120.500 0.273 0.000 2.837 611 R HA 0.444 4.784 4.340 -0.000 0.000 0.271 611 R C -0.778 175.599 176.300 0.128 0.000 0.993 611 R CA -0.806 55.384 56.100 0.150 0.000 0.931 611 R CB 1.983 32.335 30.300 0.088 0.000 1.206 611 R HN 0.394 nan 8.270 nan 0.000 0.474 612 I N 2.195 122.730 120.570 -0.059 0.000 2.428 612 I HA 0.433 4.603 4.170 -0.000 0.000 0.296 612 I C -0.074 175.991 176.117 -0.087 0.000 0.985 612 I CA -0.447 60.707 61.300 -0.244 0.000 1.260 612 I CB 1.603 39.267 38.000 -0.560 0.000 1.389 612 I HN 0.425 nan 8.210 nan 0.000 0.484 613 M N 6.190 125.777 119.600 -0.022 0.000 2.446 613 M HA 0.625 5.105 4.480 -0.000 0.000 0.294 613 M C -2.131 174.194 176.300 0.042 0.000 1.158 613 M CA -0.578 54.740 55.300 0.029 0.000 0.899 613 M CB 2.310 34.950 32.600 0.067 0.000 1.687 613 M HN 0.301 nan 8.290 nan 0.000 0.455 614 V N 3.742 123.699 119.914 0.072 0.000 2.540 614 V HA 0.512 4.632 4.120 -0.000 0.000 0.302 614 V C -0.937 175.247 176.094 0.149 0.000 1.035 614 V CA -0.522 61.826 62.300 0.081 0.000 0.873 614 V CB 2.086 33.922 31.823 0.022 0.000 0.992 614 V HN 0.875 nan 8.190 nan 0.000 0.428 615 Q N 4.043 123.906 119.800 0.105 0.000 2.353 615 Q HA 0.708 5.048 4.340 -0.000 0.000 0.268 615 Q C -1.440 174.594 176.000 0.056 0.000 1.045 615 Q CA -0.557 55.297 55.803 0.084 0.000 0.811 615 Q CB 3.135 31.898 28.738 0.043 0.000 1.305 615 Q HN 0.633 nan 8.270 nan 0.000 0.447 616 I N 2.559 123.158 120.570 0.048 0.000 2.545 616 I HA 0.370 4.540 4.170 -0.000 0.000 0.292 616 I C -0.458 175.582 176.117 -0.128 0.000 1.040 616 I CA -0.519 60.807 61.300 0.043 0.000 1.068 616 I CB 1.936 40.045 38.000 0.182 0.000 1.251 616 I HN 0.623 nan 8.210 nan 0.000 0.424 617 Q N 2.861 122.620 119.800 -0.068 0.000 2.707 617 Q HA 0.536 4.876 4.340 -0.000 0.000 0.307 617 Q C -1.316 174.730 176.000 0.078 0.000 0.934 617 Q CA -0.889 54.837 55.803 -0.129 0.000 0.753 617 Q CB 1.951 30.596 28.738 -0.154 0.000 1.478 617 Q HN 0.400 nan 8.270 nan 0.000 0.458 618 S N 0.116 115.881 115.700 0.107 0.000 2.749 618 S HA 0.295 4.765 4.470 -0.000 0.000 0.246 618 S C -0.736 173.857 174.600 -0.012 0.000 1.023 618 S CA 0.323 58.509 58.200 -0.023 0.000 1.012 618 S CB 0.475 63.606 63.200 -0.115 0.000 0.942 618 S HN 0.626 nan 8.310 nan 0.000 0.531 619 S N -0.140 115.600 115.700 0.066 0.000 2.547 619 S HA 0.729 5.199 4.470 -0.000 0.000 0.270 619 S C -2.121 172.690 174.600 0.352 0.000 1.150 619 S CA -0.666 57.646 58.200 0.186 0.000 0.850 619 S CB 1.499 64.804 63.200 0.175 0.000 1.118 619 S HN 0.229 nan 8.310 nan 0.000 0.461 620 W N 2.507 123.958 121.300 0.252 0.000 1.896 620 W HA 0.509 5.169 4.660 -0.000 0.000 0.302 620 W C -2.111 174.584 176.519 0.293 0.000 1.016 620 W CA -1.698 55.821 57.345 0.290 0.000 1.200 620 W CB 0.799 30.430 29.460 0.284 0.000 1.226 620 W HN 0.688 nan 8.180 nan 0.000 0.308 621 F N 5.344 125.486 119.950 0.319 0.000 2.458 621 F HA 0.622 5.149 4.527 -0.000 0.000 0.330 621 F C -1.223 174.734 175.800 0.263 0.000 1.082 621 F CA -2.539 55.553 58.000 0.154 0.000 0.995 621 F CB 1.841 40.885 39.000 0.073 0.000 1.170 621 F HN -0.073 nan 8.300 nan 0.000 0.478 622 P HA -0.007 nan 4.420 nan 0.000 0.255 622 P C 1.490 178.223 177.300 -0.946 0.000 1.248 622 P CA 0.311 62.535 63.100 -1.460 0.000 0.807 622 P CB 0.236 31.184 31.700 -1.253 0.000 1.150 623 L N -0.161 120.509 121.223 -0.922 0.000 2.013 623 L HA -0.090 4.250 4.340 -0.000 0.000 0.212 623 L C 0.343 176.616 176.870 -0.994 0.000 1.073 623 L CA 1.799 55.954 54.840 -1.142 0.000 0.753 623 L CB -1.327 39.520 42.059 -2.021 0.000 0.890 623 L HN -0.113 nan 8.230 nan 0.000 0.432 624 Y N 0.641 120.683 120.300 -0.431 0.000 2.360 624 Y HA 0.315 4.865 4.550 -0.000 0.000 0.337 624 Y C 0.227 176.125 175.900 -0.004 0.000 1.039 624 Y CA -1.869 56.120 58.100 -0.185 0.000 1.109 624 Y CB 0.483 38.949 38.460 0.010 0.000 1.201 624 Y HN 0.238 nan 8.280 nan 0.000 0.458 625 D N 2.057 122.597 120.400 0.233 0.000 2.378 625 D HA 0.044 4.684 4.640 -0.000 0.000 0.238 625 D C -0.367 176.173 176.300 0.401 0.000 1.180 625 D CA -0.344 53.875 54.000 0.365 0.000 0.895 625 D CB 0.653 41.717 40.800 0.440 0.000 1.192 625 D HN 0.459 nan 8.370 nan 0.000 0.438 626 R N 0.700 121.455 120.500 0.426 0.000 2.490 626 R HA 0.161 4.501 4.340 -0.000 0.000 0.280 626 R C 0.522 176.977 176.300 0.258 0.000 1.077 626 R CA -0.595 55.684 56.100 0.299 0.000 1.065 626 R CB 0.333 30.743 30.300 0.183 0.000 1.003 626 R HN 0.451 nan 8.270 nan 0.000 0.470 627 N N 3.428 122.214 118.700 0.143 0.000 2.458 627 N HA 0.072 4.812 4.740 -0.000 0.000 0.270 627 N C -1.880 173.649 175.510 0.031 0.000 1.102 627 N CA -1.825 51.252 53.050 0.044 0.000 0.967 627 N CB 1.391 39.860 38.487 -0.030 0.000 1.078 627 N HN 0.275 nan 8.380 nan 0.000 0.471 628 P HA -0.067 nan 4.420 nan 0.000 0.225 628 P C -0.310 176.931 177.300 -0.099 0.000 1.148 628 P CA 0.953 63.894 63.100 -0.265 0.000 0.779 628 P CB 0.248 31.585 31.700 -0.605 0.000 0.780 629 Q N -2.927 116.831 119.800 -0.070 0.000 2.465 629 Q HA -0.200 4.140 4.340 -0.000 0.000 0.248 629 Q C 0.129 176.122 176.000 -0.013 0.000 0.819 629 Q CA 0.867 56.647 55.803 -0.039 0.000 1.219 629 Q CB -1.708 27.013 28.738 -0.029 0.000 1.472 629 Q HN 0.325 nan 8.270 nan 0.000 0.630 630 K N 0.290 120.671 120.400 -0.032 0.000 2.482 630 K HA 0.427 4.747 4.320 -0.000 0.000 0.251 630 K C -1.242 175.370 176.600 0.020 0.000 0.936 630 K CA -0.760 55.529 56.287 0.004 0.000 0.791 630 K CB 0.978 33.457 32.500 -0.035 0.000 1.213 630 K HN 0.002 nan 8.250 nan 0.000 0.428 631 F N 5.859 125.779 119.950 -0.050 0.000 2.502 631 F HA 0.209 4.736 4.527 -0.000 0.000 0.371 631 F C -0.393 175.375 175.800 -0.052 0.000 1.083 631 F CA 0.032 58.001 58.000 -0.052 0.000 1.174 631 F CB 0.486 39.465 39.000 -0.034 0.000 1.096 631 F HN 0.229 nan 8.300 nan 0.000 0.545 632 V N 4.891 124.453 119.914 -0.587 0.000 2.864 632 V HA 0.534 4.654 4.120 -0.000 0.000 0.314 632 V C -2.126 173.586 176.094 -0.636 0.000 1.073 632 V CA -1.948 60.092 62.300 -0.433 0.000 0.956 632 V CB 1.445 33.111 31.823 -0.261 0.000 1.023 632 V HN 0.518 nan 8.190 nan 0.000 0.435 633 P HA -0.083 nan 4.420 nan 0.000 0.216 633 P C 0.178 177.336 177.300 -0.237 0.000 1.153 633 P CA 1.531 64.467 63.100 -0.273 0.000 0.858 633 P CB 0.095 31.729 31.700 -0.111 0.000 0.789 634 N N -1.384 117.204 118.700 -0.187 0.000 2.549 634 N HA 0.170 4.910 4.740 -0.000 0.000 0.290 634 N C 0.509 175.952 175.510 -0.112 0.000 1.122 634 N CA -0.377 52.595 53.050 -0.130 0.000 0.885 634 N CB 0.737 39.171 38.487 -0.088 0.000 1.455 634 N HN -0.214 nan 8.380 nan 0.000 0.521 635 I N 2.150 122.619 120.570 -0.168 0.000 2.567 635 I HA -0.201 3.969 4.170 -0.000 0.000 0.257 635 I C 1.350 177.464 176.117 -0.006 0.000 1.184 635 I CA 1.055 62.275 61.300 -0.133 0.000 1.451 635 I CB -0.149 37.755 38.000 -0.160 0.000 1.089 635 I HN 0.476 nan 8.210 nan 0.000 0.441 636 F N 0.844 120.847 119.950 0.089 0.000 2.269 636 F HA -0.227 4.300 4.527 -0.000 0.000 0.301 636 F C 1.654 177.591 175.800 0.228 0.000 1.082 636 F CA 0.885 58.998 58.000 0.188 0.000 1.360 636 F CB -0.103 38.987 39.000 0.150 0.000 1.041 636 F HN 0.130 nan 8.300 nan 0.000 0.512 637 D N 0.269 120.853 120.400 0.307 0.000 2.368 637 D HA 0.188 4.828 4.640 -0.000 0.000 0.218 637 D C 0.663 177.054 176.300 0.151 0.000 1.112 637 D CA 0.143 54.291 54.000 0.245 0.000 0.834 637 D CB -0.108 40.810 40.800 0.198 0.000 0.953 637 D HN 0.032 nan 8.370 nan 0.000 0.505 638 A N 1.039 123.933 122.820 0.123 0.000 2.531 638 A HA 0.094 4.414 4.320 -0.000 0.000 0.236 638 A C 0.627 178.295 177.584 0.140 0.000 1.062 638 A CA 0.376 52.428 52.037 0.024 0.000 0.760 638 A CB 0.446 19.367 19.000 -0.133 0.000 0.995 638 A HN -0.013 nan 8.150 nan 0.000 0.501 639 K N 2.525 122.978 120.400 0.088 0.000 2.139 639 K HA 0.393 4.713 4.320 -0.000 0.000 0.243 639 K C -1.966 174.784 176.600 0.249 0.000 0.983 639 K CA -1.869 54.511 56.287 0.155 0.000 0.890 639 K CB 0.965 33.517 32.500 0.087 0.000 1.090 639 K HN 0.289 nan 8.250 nan 0.000 0.445 640 P HA -0.208 nan 4.420 nan 0.000 0.217 640 P C 0.658 178.100 177.300 0.237 0.000 1.148 640 P CA 1.230 64.485 63.100 0.259 0.000 0.828 640 P CB 0.132 31.903 31.700 0.120 0.000 0.783 641 A N -0.421 122.483 122.820 0.140 0.000 2.066 641 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 641 A C 1.795 179.423 177.584 0.073 0.000 1.157 641 A CA 1.417 53.511 52.037 0.095 0.000 0.670 641 A CB -1.044 17.991 19.000 0.058 0.000 0.804 641 A HN 0.069 nan 8.150 nan 0.000 0.453 642 D N -1.101 119.317 120.400 0.030 0.000 2.264 642 D HA -0.043 4.597 4.640 -0.000 0.000 0.208 642 D C -0.331 175.870 176.300 -0.167 0.000 0.966 642 D CA 0.603 54.543 54.000 -0.100 0.000 0.864 642 D CB -0.290 40.376 40.800 -0.223 0.000 0.933 642 D HN 0.551 nan 8.370 nan 0.000 0.499 643 Y N 1.182 121.487 120.300 0.010 0.000 2.587 643 Y HA 0.140 4.690 4.550 -0.000 0.000 0.344 643 Y C 0.773 176.674 175.900 0.001 0.000 1.061 643 Y CA 0.144 58.244 58.100 -0.000 0.000 1.370 643 Y CB 0.305 38.758 38.460 -0.011 0.000 1.163 643 Y HN -0.335 nan 8.280 nan 0.000 0.527 644 T N 3.118 117.725 114.554 0.088 0.000 2.829 644 T HA 0.450 4.800 4.350 -0.000 0.000 0.280 644 T C -0.257 174.479 174.700 0.059 0.000 0.999 644 T CA -0.861 61.277 62.100 0.063 0.000 0.983 644 T CB 1.421 70.308 68.868 0.030 0.000 0.968 644 T HN 0.201 nan 8.240 nan 0.000 0.446 645 V N 2.211 122.160 119.914 0.058 0.000 2.715 645 V HA 0.637 4.757 4.120 -0.000 0.000 0.299 645 V C 0.455 176.570 176.094 0.035 0.000 1.054 645 V CA -0.217 62.115 62.300 0.054 0.000 1.077 645 V CB 0.676 32.535 31.823 0.060 0.000 0.972 645 V HN 1.157 nan 8.190 nan 0.000 0.484 646 A N 3.380 126.212 122.820 0.021 0.000 2.572 646 A HA 0.775 5.095 4.320 -0.000 0.000 0.295 646 A C -0.406 177.167 177.584 -0.019 0.000 1.072 646 A CA -0.598 51.440 52.037 0.003 0.000 0.691 646 A CB 1.894 20.886 19.000 -0.013 0.000 1.291 646 A HN 0.649 nan 8.150 nan 0.000 0.404 647 T N 2.823 117.366 114.554 -0.018 0.000 2.749 647 T HA 0.488 4.838 4.350 -0.000 0.000 0.287 647 T C -0.525 174.132 174.700 -0.072 0.000 0.970 647 T CA -0.344 61.729 62.100 -0.044 0.000 0.980 647 T CB 0.819 69.687 68.868 -0.001 0.000 0.924 647 T HN 0.561 nan 8.240 nan 0.000 0.456 648 Q N 1.801 121.464 119.800 -0.228 0.000 2.235 648 Q HA 0.617 4.957 4.340 -0.000 0.000 0.256 648 Q C -0.674 175.256 176.000 -0.115 0.000 0.951 648 Q CA -0.614 55.067 55.803 -0.203 0.000 0.890 648 Q CB 1.934 30.279 28.738 -0.655 0.000 1.279 648 Q HN 0.550 nan 8.270 nan 0.000 0.444 649 S N 1.824 117.571 115.700 0.078 0.000 2.733 649 S HA 0.487 4.957 4.470 -0.000 0.000 0.294 649 S C -0.476 174.213 174.600 0.148 0.000 1.149 649 S CA -0.598 57.669 58.200 0.112 0.000 1.034 649 S CB 0.624 63.883 63.200 0.098 0.000 1.015 649 S HN 0.374 nan 8.310 nan 0.000 0.486 650 I N 3.134 123.826 120.570 0.204 0.000 2.304 650 I HA 0.304 4.474 4.170 -0.000 0.000 0.291 650 I C 0.352 176.565 176.117 0.161 0.000 1.018 650 I CA -0.264 61.150 61.300 0.191 0.000 1.260 650 I CB 0.320 38.481 38.000 0.269 0.000 1.390 650 I HN 0.631 nan 8.210 nan 0.000 0.475 651 H N 5.407 124.503 119.070 0.045 0.000 2.562 651 H HA 0.541 5.097 4.556 -0.000 0.000 0.352 651 H C -0.682 174.629 175.328 -0.030 0.000 1.125 651 H CA -0.056 55.957 56.048 -0.059 0.000 1.379 651 H CB 0.559 30.284 29.762 -0.063 0.000 1.464 651 H HN 0.747 nan 8.280 nan 0.000 0.563 652 H N 1.350 120.270 119.070 -0.250 0.000 2.930 652 H HA 0.587 5.143 4.556 -0.000 0.000 0.371 652 H C 0.022 175.242 175.328 -0.181 0.000 1.169 652 H CA -0.775 55.183 56.048 -0.149 0.000 1.157 652 H CB 1.110 30.775 29.762 -0.162 0.000 1.789 652 H HN 1.007 nan 8.280 nan 0.000 0.547 653 G N 0.074 108.883 108.800 0.014 0.000 2.781 653 G HA2 0.342 4.302 3.960 -0.000 0.000 0.683 653 G HA3 0.342 4.302 3.960 -0.000 0.000 0.683 653 G C 0.461 175.383 174.900 0.037 0.000 1.390 653 G CA 0.384 45.472 45.100 -0.020 0.000 0.850 653 G HN 2.261 nan 8.290 nan 0.000 0.557 654 G N -0.189 108.678 108.800 0.111 0.000 2.552 654 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.265 654 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.265 654 G C 0.939 175.871 174.900 0.054 0.000 1.234 654 G CA 1.029 46.172 45.100 0.072 0.000 0.944 654 G HN 1.579 nan 8.290 nan 0.000 0.568 655 K N 0.920 121.256 120.400 -0.106 0.000 2.432 655 K HA 0.105 4.425 4.320 -0.000 0.000 0.196 655 K C 1.061 177.353 176.600 -0.514 0.000 1.038 655 K CA 1.219 57.380 56.287 -0.209 0.000 0.986 655 K CB 0.187 32.569 32.500 -0.197 0.000 0.782 655 K HN 0.538 nan 8.250 nan 0.000 0.485 656 E N 0.881 120.703 120.200 -0.630 0.000 3.105 656 E HA 0.186 4.536 4.350 -0.000 0.000 0.219 656 E C -1.119 175.061 176.600 -0.699 0.000 1.064 656 E CA -0.387 55.222 56.400 -1.318 0.000 1.342 656 E CB 1.162 30.191 29.700 -1.120 0.000 1.295 656 E HN 0.140 nan 8.360 nan 0.000 0.438 657 A N 1.438 124.005 122.820 -0.422 0.000 2.544 657 A HA 0.142 4.462 4.320 -0.000 0.000 0.301 657 A C 0.488 178.180 177.584 0.180 0.000 1.368 657 A CA -0.141 51.848 52.037 -0.080 0.000 1.045 657 A CB -0.229 18.593 19.000 -0.296 0.000 1.129 657 A HN 0.103 nan 8.150 nan 0.000 0.540 658 T N 2.682 117.380 114.554 0.241 0.000 2.902 658 T HA 0.395 4.745 4.350 -0.000 0.000 0.301 658 T C 0.688 175.415 174.700 0.045 0.000 1.012 658 T CA 1.052 63.290 62.100 0.230 0.000 1.151 658 T CB 0.087 69.024 68.868 0.115 0.000 0.946 658 T HN 1.161 nan 8.240 nan 0.000 0.542 659 S N 2.604 118.281 115.700 -0.039 0.000 2.615 659 S HA 0.666 5.136 4.470 -0.000 0.000 0.269 659 S C -1.450 173.019 174.600 -0.219 0.000 1.161 659 S CA -1.115 56.965 58.200 -0.199 0.000 0.817 659 S CB 1.263 64.222 63.200 -0.402 0.000 1.131 659 S HN 0.427 nan 8.310 nan 0.000 0.467 660 I N 2.134 122.554 120.570 -0.251 0.000 2.330 660 I HA 0.317 4.487 4.170 -0.000 0.000 0.289 660 I C -0.552 175.444 176.117 -0.203 0.000 1.001 660 I CA -0.645 60.524 61.300 -0.218 0.000 1.193 660 I CB 1.171 39.066 38.000 -0.176 0.000 1.345 660 I HN 0.654 nan 8.210 nan 0.000 0.461 661 L N 7.059 128.172 121.223 -0.183 0.000 2.433 661 L HA 0.292 4.632 4.340 -0.000 0.000 0.284 661 L C 0.024 176.842 176.870 -0.086 0.000 1.120 661 L CA -0.110 54.652 54.840 -0.131 0.000 0.879 661 L CB -0.010 41.985 42.059 -0.107 0.000 1.232 661 L HN 0.348 nan 8.230 nan 0.000 0.454 662 L N 6.423 127.622 121.223 -0.041 0.000 2.312 662 L HA 0.369 4.709 4.340 -0.000 0.000 0.281 662 L C -1.824 175.053 176.870 0.011 0.000 1.070 662 L CA -1.755 53.092 54.840 0.012 0.000 0.805 662 L CB 1.517 43.626 42.059 0.083 0.000 1.174 662 L HN 0.355 nan 8.230 nan 0.000 0.434 663 P HA 0.099 nan 4.420 nan 0.000 0.231 663 P C -0.373 176.927 177.300 -0.000 0.000 1.811 663 P CA -0.144 62.936 63.100 -0.033 0.000 1.051 663 P CB 0.210 31.868 31.700 -0.071 0.000 1.951 664 V N 3.756 123.674 119.914 0.006 0.000 2.614 664 V HA 0.191 4.311 4.120 -0.000 0.000 0.291 664 V C 1.068 177.147 176.094 -0.025 0.000 1.049 664 V CA -0.077 62.227 62.300 0.007 0.000 1.038 664 V CB 1.312 33.114 31.823 -0.035 0.000 0.980 664 V HN 0.327 nan 8.190 nan 0.000 0.481 665 V N 2.307 122.215 119.914 -0.011 0.000 3.102 665 V HA 0.692 4.812 4.120 -0.000 0.000 0.312 665 V C -0.388 175.701 176.094 -0.010 0.000 1.135 665 V CA -1.248 61.041 62.300 -0.018 0.000 1.022 665 V CB 1.866 33.682 31.823 -0.011 0.000 1.056 665 V HN 0.730 nan 8.190 nan 0.000 0.436 666 K N 0.000 120.395 120.400 -0.008 0.000 2.780 666 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 666 K CA 0.000 56.284 56.287 -0.006 0.000 0.838 666 K CB 0.000 32.493 32.500 -0.011 0.000 1.064 666 K HN 0.000 nan 8.250 nan 0.000 0.543