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 2vzo_1_B DATA FIRST_RESID 49 DATA SEQUENCE GNATPIPGYV IQSSAQVSDD SAVSKPGFPT SGWYPVSSRS TVYAGLLQNG DATA SEQUENCE KYADPFYSTN MQNVPAAQFS VPWWYRTDLN VDDTSSRTYL DFSGVLSKAD DATA SEQUENCE VWVNGTKVAT KDQVNGAYTR HDLDITAQVH TGVNSVAFKV YPNDPNRDLS DATA SEQUENCE MGWIDWAQTP PDQNMGIVRD VLVRRSGAVA LRSAHVIQKL NSALDHADLT DATA SEQUENCE VKADVRNDSA NAVQTTVAGT VAGKPISQTV SLAAKERKTV TFPLVGLDRP DATA SEQUENCE NVWWPAGMGG QHRYDLDLTA SVGGTPSDAA KSKFGVRDVK ATLNSSGGRQ DATA SEQUENCE YSVNGKPLLI RGGGYTPDLF LRWNETAAAD KLKYVLNLGL NTVRLEGHIE DATA SEQUENCE PDEFFDIADD LGVLTMPGWE CCDKWEGQVN GEXXGEPWVE SDYPIAKASM DATA SEQUENCE FSEAERLRDH PSVISFHIGS EFAPDRRIEQ GYLDAMKAAD FLLPVIPAAS DATA SEQUENCE ARPSPITGAS GMKMNGPYDY VPPVYWYDKS QKDRGGAWSF NSETSAGVDI DATA SEQUENCE PTMDTLKRMM SASELDTMWK NPSAKQYHRS SSDTFGNLKL FGDALTKRYG DATA SEQUENCE ASANLNDFVR KAQLSQYENV RAEFESHSRN YTDSTNPSTG LIYWMLNSPW DATA SEQUENCE TSLHWQLFDA YMDQNGAYYG AKKANEPLHI QYSHDNRSVV VINQTSNAVS DATA SEQUENCE GLTATTKLYN LDGTEKYSNT KTGLSVGALG AKATAVTVPA VSGLSTTYLA DATA SEQUENCE KNVLTDSSGK EVSRNVYWLS TKADTLNWGG SDWYYTPQSA FADLSGLNNL DATA SEQUENCE GQSAVGATAN SVAGADGTTT TTVTLKNTSG GRLPAFYVDS KVVDSAGKPV DATA SEQUENCE LPVEWNDNAV SLWPGETTTL TAKYRTADLK GSKPSVRISG WNTGTQTVPA DATA SEQUENCE D 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 49 G HA2 0.000 nan 3.960 nan 0.000 0.244 49 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 49 G C 0.000 174.930 174.900 0.051 0.000 0.946 49 G CA 0.000 45.128 45.100 0.046 0.000 0.502 50 N N 0.948 119.684 118.700 0.061 0.000 2.524 50 N HA 0.601 5.341 4.740 -0.000 0.000 0.283 50 N C -0.515 175.041 175.510 0.076 0.000 1.142 50 N CA 0.510 53.601 53.050 0.067 0.000 0.984 50 N CB 1.813 40.344 38.487 0.073 0.000 1.155 50 N HN 0.322 nan 8.380 nan 0.000 0.467 51 A N 1.313 124.180 122.820 0.078 0.000 2.466 51 A HA 0.427 4.747 4.320 -0.000 0.000 0.284 51 A C -0.937 176.701 177.584 0.089 0.000 1.049 51 A CA -0.636 51.455 52.037 0.090 0.000 0.760 51 A CB 0.926 19.975 19.000 0.081 0.000 1.274 51 A HN 0.455 nan 8.150 nan 0.000 0.412 52 T N 4.990 119.603 114.554 0.098 0.000 2.840 52 T HA 0.640 4.990 4.350 -0.000 0.000 0.287 52 T C -2.913 171.846 174.700 0.099 0.000 0.991 52 T CA -1.220 60.933 62.100 0.089 0.000 0.964 52 T CB 1.662 70.577 68.868 0.078 0.000 0.954 52 T HN 0.485 nan 8.240 nan 0.000 0.438 53 P HA 0.227 nan 4.420 nan 0.000 0.268 53 P C -0.211 177.134 177.300 0.076 0.000 1.204 53 P CA -0.390 62.771 63.100 0.101 0.000 0.768 53 P CB 0.503 32.262 31.700 0.098 0.000 0.842 54 I N 6.257 126.870 120.570 0.072 0.000 2.587 54 I HA -0.006 4.164 4.170 -0.000 0.000 0.284 54 I C -0.800 175.271 176.117 -0.076 0.000 1.134 54 I CA -1.190 60.096 61.300 -0.024 0.000 1.410 54 I CB 0.532 38.497 38.000 -0.059 0.000 1.392 54 I HN 0.314 nan 8.210 nan 0.000 0.545 55 P HA 0.126 nan 4.420 nan 0.000 0.240 55 P C 0.384 177.650 177.300 -0.057 0.000 1.190 55 P CA 0.488 63.574 63.100 -0.023 0.000 0.781 55 P CB 0.617 32.321 31.700 0.006 0.000 0.931 56 G N -1.425 107.237 108.800 -0.229 0.000 2.547 56 G HA2 0.512 4.472 3.960 -0.000 0.000 0.291 56 G HA3 0.512 4.472 3.960 -0.000 0.000 0.291 56 G C -2.224 172.410 174.900 -0.442 0.000 1.471 56 G CA -0.566 44.424 45.100 -0.183 0.000 0.798 56 G HN -0.108 nan 8.290 nan 0.000 0.504 57 Y N -1.119 119.294 120.300 0.189 0.000 2.605 57 Y HA 0.674 5.224 4.550 -0.000 0.000 0.343 57 Y C 0.439 176.458 175.900 0.198 0.000 1.036 57 Y CA -1.138 57.093 58.100 0.219 0.000 1.065 57 Y CB 2.408 41.041 38.460 0.288 0.000 1.288 57 Y HN 0.588 nan 8.280 nan 0.000 0.481 58 V N 1.385 121.543 119.914 0.407 0.000 2.532 58 V HA 0.783 4.903 4.120 -0.000 0.000 0.295 58 V C -0.389 176.039 176.094 0.556 0.000 1.041 58 V CA -0.847 61.708 62.300 0.426 0.000 0.926 58 V CB 1.148 33.194 31.823 0.372 0.000 0.992 58 V HN 0.732 nan 8.190 nan 0.000 0.457 59 I N 1.189 122.029 120.570 0.449 0.000 2.785 59 I HA 0.998 5.168 4.170 -0.000 0.000 0.302 59 I C -0.765 175.411 176.117 0.098 0.000 1.069 59 I CA -0.764 60.693 61.300 0.261 0.000 1.045 59 I CB 2.348 40.285 38.000 -0.105 0.000 1.236 59 I HN 0.736 nan 8.210 nan 0.000 0.429 60 Q N 2.427 122.067 119.800 -0.267 0.000 2.578 60 Q HA 0.362 4.702 4.340 -0.000 0.000 0.284 60 Q C -1.236 174.169 176.000 -0.991 0.000 0.960 60 Q CA -0.435 54.873 55.803 -0.826 0.000 0.809 60 Q CB 2.285 29.786 28.738 -2.061 0.000 1.462 60 Q HN 0.900 nan 8.270 nan 0.000 0.392 61 S N 0.176 114.816 115.700 -1.766 0.000 2.558 61 S HA 0.114 4.584 4.470 -0.000 0.000 0.288 61 S C 0.892 175.115 174.600 -0.628 0.000 1.318 61 S CA 0.658 57.873 58.200 -1.641 0.000 1.056 61 S CB 0.204 62.614 63.200 -1.316 0.000 0.853 61 S HN 0.734 nan 8.310 nan 0.000 0.505 62 S N 4.094 119.618 115.700 -0.293 0.000 2.537 62 S HA -0.064 4.405 4.470 -0.000 0.000 0.240 62 S C 1.842 176.408 174.600 -0.057 0.000 0.981 62 S CA 0.658 58.892 58.200 0.057 0.000 0.948 62 S CB -0.629 62.634 63.200 0.106 0.000 0.759 62 S HN 0.912 nan 8.310 nan 0.000 0.531 63 A N 1.229 123.939 122.820 -0.184 0.000 2.019 63 A HA -0.057 4.263 4.320 -0.000 0.000 0.219 63 A C 2.097 179.611 177.584 -0.116 0.000 1.164 63 A CA 1.085 53.038 52.037 -0.141 0.000 0.644 63 A CB -0.327 18.570 19.000 -0.172 0.000 0.805 63 A HN 0.514 nan 8.150 nan 0.000 0.449 64 Q N -0.520 119.186 119.800 -0.155 0.000 2.246 64 Q HA 0.247 4.587 4.340 -0.000 0.000 0.202 64 Q C -0.726 175.299 176.000 0.043 0.000 0.883 64 Q CA 0.231 55.989 55.803 -0.074 0.000 0.952 64 Q CB 0.452 29.110 28.738 -0.134 0.000 1.078 64 Q HN 0.341 nan 8.270 nan 0.000 0.493 65 V N 1.588 121.510 119.914 0.012 0.000 2.443 65 V HA 0.179 4.299 4.120 -0.000 0.000 0.293 65 V C 0.863 176.956 176.094 -0.002 0.000 1.021 65 V CA -0.136 62.166 62.300 0.003 0.000 0.848 65 V CB 1.754 33.465 31.823 -0.187 0.000 0.998 65 V HN 0.205 nan 8.190 nan 0.000 0.424 66 S N 1.447 117.145 115.700 -0.004 0.000 2.517 66 S HA 0.152 4.622 4.470 -0.000 0.000 0.214 66 S C 0.277 174.866 174.600 -0.019 0.000 0.991 66 S CA 0.180 58.378 58.200 -0.003 0.000 0.906 66 S CB 0.176 63.376 63.200 0.000 0.000 0.789 66 S HN 0.723 nan 8.310 nan 0.000 0.513 67 D N 0.370 120.730 120.400 -0.067 0.000 2.575 67 D HA 0.364 5.004 4.640 -0.000 0.000 0.250 67 D C -0.276 175.866 176.300 -0.264 0.000 1.279 67 D CA -0.404 53.532 54.000 -0.106 0.000 0.925 67 D CB 1.696 42.448 40.800 -0.081 0.000 1.261 67 D HN -0.228 nan 8.370 nan 0.000 0.567 68 D N 1.012 121.274 120.400 -0.231 0.000 2.106 68 D HA -0.197 4.443 4.640 -0.000 0.000 0.191 68 D C 1.944 177.582 176.300 -1.102 0.000 0.997 68 D CA 2.023 55.748 54.000 -0.458 0.000 0.834 68 D CB -0.020 40.726 40.800 -0.090 0.000 0.956 68 D HN 0.506 nan 8.370 nan 0.000 0.448 69 S N 0.079 115.250 115.700 -0.881 0.000 2.419 69 S HA -0.107 4.363 4.470 -0.000 0.000 0.235 69 S C 2.053 176.339 174.600 -0.522 0.000 1.019 69 S CA 1.158 58.907 58.200 -0.752 0.000 0.982 69 S CB -0.329 62.816 63.200 -0.091 0.000 0.789 69 S HN 0.272 nan 8.310 nan 0.000 0.490 70 A N 1.378 123.896 122.820 -0.504 0.000 2.014 70 A HA 0.160 4.480 4.320 -0.000 0.000 0.218 70 A C 2.312 179.436 177.584 -0.768 0.000 1.163 70 A CA 1.242 53.042 52.037 -0.395 0.000 0.652 70 A CB -0.861 18.040 19.000 -0.165 0.000 0.808 70 A HN 0.476 nan 8.150 nan 0.000 0.449 71 V N 0.879 120.038 119.914 -1.259 0.000 2.407 71 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 71 V C 2.538 178.073 176.094 -0.931 0.000 1.055 71 V CA 2.175 63.400 62.300 -1.792 0.000 1.049 71 V CB -0.920 29.812 31.823 -1.818 0.000 0.662 71 V HN 0.748 nan 8.190 nan 0.000 0.455 72 S N -1.447 113.945 115.700 -0.515 0.000 2.605 72 S HA 0.168 4.638 4.470 -0.000 0.000 0.217 72 S C 0.549 175.100 174.600 -0.083 0.000 0.958 72 S CA -0.304 57.797 58.200 -0.165 0.000 0.919 72 S CB -0.370 62.854 63.200 0.039 0.000 0.780 72 S HN 0.570 nan 8.310 nan 0.000 0.507 73 K N 2.887 123.210 120.400 -0.128 0.000 2.297 73 K HA 0.328 4.648 4.320 -0.000 0.000 0.286 73 K C -2.875 173.738 176.600 0.022 0.000 1.053 73 K CA -2.158 54.118 56.287 -0.019 0.000 0.940 73 K CB 0.443 32.932 32.500 -0.019 0.000 1.019 73 K HN 0.108 nan 8.250 nan 0.000 0.475 74 P HA -0.090 nan 4.420 nan 0.000 0.262 74 P C 0.648 177.970 177.300 0.037 0.000 1.182 74 P CA 0.885 64.021 63.100 0.061 0.000 0.761 74 P CB 0.577 32.343 31.700 0.110 0.000 0.795 75 G N 2.750 111.562 108.800 0.019 0.000 2.195 75 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.246 75 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.246 75 G C 0.161 175.040 174.900 -0.035 0.000 0.984 75 G CA -0.387 44.704 45.100 -0.016 0.000 0.633 75 G HN 0.570 nan 8.290 nan 0.000 0.525 76 F N 4.525 124.378 119.950 -0.162 0.000 2.604 76 F HA 0.409 4.936 4.527 -0.000 0.000 0.393 76 F C -0.909 174.722 175.800 -0.282 0.000 1.043 76 F CA -0.939 56.922 58.000 -0.231 0.000 1.227 76 F CB 0.402 39.224 39.000 -0.297 0.000 1.016 76 F HN 0.116 nan 8.300 nan 0.000 0.556 77 P HA 0.155 nan 4.420 nan 0.000 0.280 77 P C -0.448 176.265 177.300 -0.978 0.000 1.244 77 P CA -0.302 62.370 63.100 -0.714 0.000 0.784 77 P CB 1.135 32.519 31.700 -0.527 0.000 0.913 78 T N -2.375 111.778 114.554 -0.669 0.000 3.339 78 T HA 0.148 4.498 4.350 -0.000 0.000 0.292 78 T C 0.424 174.925 174.700 -0.333 0.000 1.012 78 T CA -0.434 61.139 62.100 -0.878 0.000 0.937 78 T CB -0.635 67.765 68.868 -0.780 0.000 1.164 78 T HN 0.296 nan 8.240 nan 0.000 0.509 79 S N 1.026 116.606 115.700 -0.200 0.000 2.525 79 S HA 0.445 4.915 4.470 -0.000 0.000 0.285 79 S C 1.721 176.368 174.600 0.077 0.000 1.283 79 S CA 1.179 59.344 58.200 -0.058 0.000 1.072 79 S CB -0.561 62.585 63.200 -0.091 0.000 0.867 79 S HN 1.433 nan 8.310 nan 0.000 0.492 80 G N 4.166 112.983 108.800 0.028 0.000 2.175 80 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.244 80 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.244 80 G C -0.131 174.653 174.900 -0.194 0.000 0.982 80 G CA 0.004 45.064 45.100 -0.067 0.000 0.641 80 G HN 0.624 nan 8.290 nan 0.000 0.527 81 W N 0.577 121.699 121.300 -0.297 0.000 2.202 81 W HA 0.678 5.338 4.660 -0.000 0.000 0.332 81 W C 0.304 176.655 176.519 -0.279 0.000 1.263 81 W CA -0.710 56.480 57.345 -0.258 0.000 1.223 81 W CB 0.118 29.551 29.460 -0.046 0.000 1.128 81 W HN 0.124 nan 8.180 nan 0.000 0.573 82 Y N 4.082 124.538 120.300 0.259 0.000 2.425 82 Y HA 0.229 4.779 4.550 -0.000 0.000 0.347 82 Y C -1.558 174.453 175.900 0.186 0.000 0.976 82 Y CA -2.855 55.354 58.100 0.182 0.000 1.190 82 Y CB -0.178 38.372 38.460 0.151 0.000 1.136 82 Y HN 0.019 nan 8.280 nan 0.000 0.517 83 P HA 0.102 nan 4.420 nan 0.000 0.271 83 P C -0.700 176.724 177.300 0.206 0.000 1.220 83 P CA 0.065 63.294 63.100 0.216 0.000 0.768 83 P CB 1.394 33.186 31.700 0.152 0.000 0.848 84 V N 0.285 120.326 119.914 0.211 0.000 2.962 84 V HA 0.570 4.690 4.120 -0.000 0.000 0.313 84 V C 0.105 176.328 176.094 0.215 0.000 1.099 84 V CA -0.907 61.512 62.300 0.199 0.000 0.971 84 V CB 1.712 33.648 31.823 0.190 0.000 1.028 84 V HN 0.412 nan 8.190 nan 0.000 0.430 85 S N 1.751 117.565 115.700 0.191 0.000 2.580 85 S HA 0.270 4.740 4.470 -0.000 0.000 0.266 85 S C 0.546 175.317 174.600 0.285 0.000 1.354 85 S CA 0.157 58.477 58.200 0.199 0.000 1.008 85 S CB 0.933 64.240 63.200 0.178 0.000 0.898 85 S HN 1.183 nan 8.310 nan 0.000 0.555 86 S N 0.361 116.211 115.700 0.251 0.000 2.566 86 S HA 0.107 4.577 4.470 -0.000 0.000 0.280 86 S C 0.523 175.295 174.600 0.287 0.000 1.343 86 S CA -0.005 58.381 58.200 0.310 0.000 1.036 86 S CB -0.236 63.092 63.200 0.214 0.000 0.866 86 S HN 0.672 nan 8.310 nan 0.000 0.526 87 R N 0.487 121.142 120.500 0.258 0.000 3.651 87 R HA -0.120 4.220 4.340 -0.000 0.000 0.292 87 R C -0.682 175.744 176.300 0.210 0.000 1.161 87 R CA 0.699 56.912 56.100 0.188 0.000 0.787 87 R CB -2.753 27.657 30.300 0.183 0.000 1.249 87 R HN 0.440 nan 8.270 nan 0.000 0.476 88 S N 0.856 116.700 115.700 0.241 0.000 2.480 88 S HA 0.296 4.766 4.470 -0.000 0.000 0.286 88 S C 0.838 175.569 174.600 0.218 0.000 1.180 88 S CA -0.447 57.891 58.200 0.229 0.000 1.075 88 S CB 1.750 65.094 63.200 0.239 0.000 0.996 88 S HN 0.313 nan 8.310 nan 0.000 0.487 89 T N -0.020 114.627 114.554 0.155 0.000 2.813 89 T HA 0.229 4.579 4.350 -0.000 0.000 0.297 89 T C 1.485 176.230 174.700 0.075 0.000 1.036 89 T CA -0.761 61.405 62.100 0.109 0.000 1.044 89 T CB 0.339 69.268 68.868 0.102 0.000 0.993 89 T HN 0.193 nan 8.240 nan 0.000 0.535 90 V N 0.967 120.859 119.914 -0.036 0.000 2.295 90 V HA -0.130 3.990 4.120 -0.000 0.000 0.246 90 V C 2.148 178.078 176.094 -0.272 0.000 1.049 90 V CA 1.967 64.122 62.300 -0.242 0.000 1.024 90 V CB -1.233 30.216 31.823 -0.623 0.000 0.648 90 V HN 0.926 nan 8.190 nan 0.000 0.447 91 Y N 1.303 121.331 120.300 -0.453 0.000 2.242 91 Y HA -0.147 4.403 4.550 -0.000 0.000 0.291 91 Y C 2.327 178.069 175.900 -0.264 0.000 1.137 91 Y CA 1.134 58.983 58.100 -0.418 0.000 1.181 91 Y CB -0.666 37.441 38.460 -0.589 0.000 0.989 91 Y HN 0.152 nan 8.280 nan 0.000 0.527 92 A N 0.194 122.848 122.820 -0.275 0.000 1.883 92 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 92 A C 2.538 180.017 177.584 -0.174 0.000 1.186 92 A CA 1.888 53.788 52.037 -0.228 0.000 0.624 92 A CB -1.712 17.303 19.000 0.025 0.000 0.822 92 A HN 0.574 nan 8.150 nan 0.000 0.444 93 G N -0.276 108.469 108.800 -0.093 0.000 2.422 93 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.218 93 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.218 93 G C 1.525 176.361 174.900 -0.107 0.000 1.146 93 G CA 1.094 46.165 45.100 -0.047 0.000 0.769 93 G HN 0.461 nan 8.290 nan 0.000 0.547 94 L N -0.161 120.943 121.223 -0.197 0.000 2.109 94 L HA 0.082 4.422 4.340 -0.000 0.000 0.207 94 L C 2.810 179.573 176.870 -0.177 0.000 1.086 94 L CA 0.303 55.010 54.840 -0.222 0.000 0.760 94 L CB -0.406 41.598 42.059 -0.092 0.000 0.910 94 L HN 0.150 nan 8.230 nan 0.000 0.437 95 L N -0.621 120.429 121.223 -0.288 0.000 2.083 95 L HA -0.235 4.105 4.340 -0.000 0.000 0.209 95 L C 2.694 179.475 176.870 -0.150 0.000 1.083 95 L CA 1.234 55.910 54.840 -0.273 0.000 0.752 95 L CB -0.548 41.231 42.059 -0.466 0.000 0.899 95 L HN 0.355 nan 8.230 nan 0.000 0.433 96 Q N -0.155 119.578 119.800 -0.110 0.000 2.226 96 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 96 Q C 1.386 177.385 176.000 -0.002 0.000 0.975 96 Q CA 1.009 56.791 55.803 -0.035 0.000 0.866 96 Q CB 0.038 28.780 28.738 0.007 0.000 0.915 96 Q HN 0.559 nan 8.270 nan 0.000 0.440 97 N N -1.715 116.983 118.700 -0.004 0.000 2.270 97 N HA 0.044 4.784 4.740 -0.000 0.000 0.198 97 N C 0.658 176.177 175.510 0.015 0.000 1.117 97 N CA 0.808 53.888 53.050 0.051 0.000 0.845 97 N CB 1.568 40.149 38.487 0.157 0.000 0.980 97 N HN 0.347 nan 8.380 nan 0.000 0.486 98 G N 0.558 109.337 108.800 -0.035 0.000 2.380 98 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.197 98 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.197 98 G C 1.029 175.877 174.900 -0.086 0.000 1.001 98 G CA -0.260 44.815 45.100 -0.043 0.000 0.668 98 G HN 0.130 nan 8.290 nan 0.000 0.483 99 K N -0.696 119.609 120.400 -0.158 0.000 2.424 99 K HA 0.397 4.717 4.320 -0.000 0.000 0.198 99 K C -0.339 175.878 176.600 -0.638 0.000 1.190 99 K CA 0.387 56.468 56.287 -0.342 0.000 0.935 99 K CB 0.621 32.899 32.500 -0.370 0.000 1.087 99 K HN 0.373 nan 8.250 nan 0.000 0.524 100 Y N -0.136 120.165 120.300 0.002 0.000 2.536 100 Y HA 0.512 5.062 4.550 -0.000 0.000 0.347 100 Y C 0.217 176.139 175.900 0.037 0.000 1.000 100 Y CA -1.332 56.799 58.100 0.051 0.000 1.051 100 Y CB 1.331 39.875 38.460 0.140 0.000 1.259 100 Y HN -0.074 nan 8.280 nan 0.000 0.468 101 A N 0.596 123.564 122.820 0.247 0.000 2.409 101 A HA 0.107 4.426 4.320 -0.000 0.000 0.246 101 A C -0.235 177.461 177.584 0.186 0.000 1.099 101 A CA -0.119 52.026 52.037 0.179 0.000 0.789 101 A CB -0.122 18.994 19.000 0.193 0.000 1.053 101 A HN 0.737 nan 8.150 nan 0.000 0.503 102 D N 0.313 120.816 120.400 0.172 0.000 2.382 102 D HA 0.176 4.815 4.640 -0.000 0.000 0.259 102 D C -1.308 175.184 176.300 0.320 0.000 1.224 102 D CA -1.543 52.566 54.000 0.182 0.000 0.894 102 D CB 0.801 41.709 40.800 0.179 0.000 1.127 102 D HN 0.161 nan 8.370 nan 0.000 0.487 103 P HA -0.095 nan 4.420 nan 0.000 0.226 103 P C 1.122 178.933 177.300 0.852 0.000 1.153 103 P CA 0.390 63.832 63.100 0.570 0.000 0.777 103 P CB 0.068 32.121 31.700 0.590 0.000 0.794 104 F N -1.276 118.948 119.950 0.456 0.000 2.604 104 F HA 0.048 4.575 4.527 -0.000 0.000 0.298 104 F C 1.186 177.140 175.800 0.257 0.000 1.131 104 F CA -0.389 57.821 58.000 0.349 0.000 1.457 104 F CB -1.228 37.928 39.000 0.260 0.000 1.095 104 F HN -0.075 nan 8.300 nan 0.000 0.574 105 Y N -0.026 120.491 120.300 0.360 0.000 2.328 105 Y HA 0.440 4.990 4.550 -0.000 0.000 0.337 105 Y C 0.962 177.008 175.900 0.244 0.000 1.008 105 Y CA -0.383 57.830 58.100 0.190 0.000 1.129 105 Y CB 0.904 39.456 38.460 0.153 0.000 1.185 105 Y HN 0.038 nan 8.280 nan 0.000 0.476 106 S N 2.727 118.089 115.700 -0.563 0.000 3.711 106 S HA -0.335 4.135 4.470 -0.000 0.000 0.625 106 S C 0.948 175.616 174.600 0.114 0.000 2.458 106 S CA 2.344 60.312 58.200 -0.386 0.000 4.059 106 S CB -1.663 61.077 63.200 -0.767 0.000 0.257 106 S HN 1.362 nan 8.310 nan 0.000 0.974 107 T N -0.514 114.008 114.554 -0.053 0.000 3.214 107 T HA 0.378 4.727 4.350 -0.000 0.000 0.264 107 T C 1.050 175.718 174.700 -0.054 0.000 1.012 107 T CA 0.508 62.489 62.100 -0.199 0.000 0.901 107 T CB -0.287 68.349 68.868 -0.388 0.000 1.070 107 T HN 0.459 nan 8.240 nan 0.000 0.561 108 N N 1.938 120.709 118.700 0.120 0.000 2.096 108 N HA -0.140 4.600 4.740 -0.000 0.000 0.195 108 N C 1.534 177.149 175.510 0.175 0.000 1.017 108 N CA 1.526 54.686 53.050 0.184 0.000 0.870 108 N CB -0.370 38.290 38.487 0.288 0.000 1.024 108 N HN 0.470 nan 8.380 nan 0.000 0.434 109 M N 0.583 120.340 119.600 0.262 0.000 2.213 109 M HA -0.143 4.337 4.480 -0.000 0.000 0.263 109 M C 1.738 178.072 176.300 0.056 0.000 1.062 109 M CA 1.294 56.721 55.300 0.210 0.000 1.105 109 M CB 0.001 32.837 32.600 0.393 0.000 1.385 109 M HN 0.177 nan 8.290 nan 0.000 0.417 110 Q N -0.046 119.749 119.800 -0.008 0.000 2.291 110 Q HA -0.144 4.196 4.340 -0.000 0.000 0.206 110 Q C 0.869 176.832 176.000 -0.062 0.000 0.976 110 Q CA 0.990 56.739 55.803 -0.091 0.000 0.875 110 Q CB -0.060 28.519 28.738 -0.265 0.000 0.927 110 Q HN 0.567 nan 8.270 nan 0.000 0.450 111 N N -0.332 118.349 118.700 -0.032 0.000 2.398 111 N HA 0.014 4.754 4.740 -0.000 0.000 0.188 111 N C -0.396 175.106 175.510 -0.013 0.000 1.122 111 N CA 0.191 53.241 53.050 -0.001 0.000 0.866 111 N CB 0.464 38.978 38.487 0.045 0.000 0.970 111 N HN -0.046 nan 8.380 nan 0.000 0.462 112 V N 3.170 123.015 119.914 -0.114 0.000 2.455 112 V HA 0.166 4.286 4.120 -0.000 0.000 0.273 112 V C -1.954 174.047 176.094 -0.154 0.000 1.045 112 V CA -1.460 60.666 62.300 -0.292 0.000 0.976 112 V CB 0.645 32.143 31.823 -0.542 0.000 0.993 112 V HN -0.013 nan 8.190 nan 0.000 0.475 113 P HA 0.154 nan 4.420 nan 0.000 0.266 113 P C 0.463 177.705 177.300 -0.096 0.000 1.215 113 P CA 0.077 63.138 63.100 -0.066 0.000 0.763 113 P CB 0.964 32.643 31.700 -0.035 0.000 0.806 114 A N 4.255 127.060 122.820 -0.025 0.000 1.975 114 A HA 0.078 4.398 4.320 -0.000 0.000 0.215 114 A C 2.080 179.672 177.584 0.015 0.000 1.170 114 A CA 1.275 53.354 52.037 0.071 0.000 0.656 114 A CB -1.144 17.895 19.000 0.065 0.000 0.821 114 A HN 0.500 nan 8.150 nan 0.000 0.449 115 A N 0.965 123.763 122.820 -0.036 0.000 1.948 115 A HA -0.288 4.032 4.320 -0.000 0.000 0.220 115 A C 2.156 179.707 177.584 -0.055 0.000 1.177 115 A CA 1.889 53.912 52.037 -0.024 0.000 0.636 115 A CB -0.809 18.178 19.000 -0.022 0.000 0.815 115 A HN 0.801 nan 8.150 nan 0.000 0.449 116 Q N -1.814 117.865 119.800 -0.201 0.000 2.297 116 Q HA -0.136 4.204 4.340 -0.000 0.000 0.208 116 Q C 0.821 176.804 176.000 -0.028 0.000 0.981 116 Q CA 1.603 57.279 55.803 -0.212 0.000 0.876 116 Q CB -0.486 28.041 28.738 -0.351 0.000 0.921 116 Q HN 0.611 nan 8.270 nan 0.000 0.446 117 F N 1.093 121.178 119.950 0.225 0.000 2.664 117 F HA 0.248 4.775 4.527 -0.000 0.000 0.303 117 F C 1.562 177.444 175.800 0.137 0.000 1.092 117 F CA -0.041 58.067 58.000 0.179 0.000 1.305 117 F CB 0.360 39.346 39.000 -0.022 0.000 1.054 117 F HN 0.128 nan 8.300 nan 0.000 0.565 118 S N -0.695 115.141 115.700 0.226 0.000 2.603 118 S HA 0.186 4.656 4.470 -0.000 0.000 0.220 118 S C 0.540 175.226 174.600 0.142 0.000 0.967 118 S CA 0.156 58.449 58.200 0.155 0.000 0.920 118 S CB -1.032 62.225 63.200 0.095 0.000 0.773 118 S HN 0.085 nan 8.310 nan 0.000 0.529 119 V N -2.803 117.216 119.914 0.175 0.000 2.919 119 V HA 0.697 4.817 4.120 -0.000 0.000 0.316 119 V C -3.228 172.955 176.094 0.148 0.000 1.077 119 V CA -3.285 59.078 62.300 0.105 0.000 0.977 119 V CB 1.000 32.836 31.823 0.021 0.000 1.039 119 V HN -0.144 nan 8.190 nan 0.000 0.441 120 P HA 0.131 nan 4.420 nan 0.000 0.268 120 P C -1.416 175.907 177.300 0.039 0.000 1.208 120 P CA 0.447 63.463 63.100 -0.140 0.000 0.777 120 P CB 0.214 31.547 31.700 -0.612 0.000 0.875 121 W N 1.501 122.737 121.300 -0.106 0.000 2.666 121 W HA 0.412 5.072 4.660 -0.000 0.000 0.334 121 W C -0.954 175.573 176.519 0.013 0.000 1.051 121 W CA 0.293 57.650 57.345 0.020 0.000 1.224 121 W CB 0.863 30.406 29.460 0.139 0.000 1.405 121 W HN 0.383 nan 8.180 nan 0.000 0.513 122 W N 2.703 124.133 121.300 0.216 0.000 2.390 122 W HA 0.396 5.056 4.660 -0.000 0.000 0.312 122 W C -0.799 175.971 176.519 0.418 0.000 1.123 122 W CA -0.576 56.951 57.345 0.304 0.000 1.202 122 W CB 0.510 30.122 29.460 0.254 0.000 1.251 122 W HN 0.139 nan 8.180 nan 0.000 0.511 123 Y N 3.666 124.259 120.300 0.488 0.000 2.356 123 Y HA 0.416 4.966 4.550 -0.000 0.000 0.334 123 Y C 0.493 176.727 175.900 0.557 0.000 0.958 123 Y CA -0.968 57.358 58.100 0.376 0.000 1.196 123 Y CB 0.976 39.374 38.460 -0.104 0.000 1.137 123 Y HN 0.197 nan 8.280 nan 0.000 0.485 124 R N 2.134 123.055 120.500 0.702 0.000 2.599 124 R HA 0.648 4.988 4.340 -0.000 0.000 0.295 124 R C -1.308 175.288 176.300 0.493 0.000 0.963 124 R CA -0.340 56.084 56.100 0.541 0.000 0.883 124 R CB 2.145 32.632 30.300 0.311 0.000 1.171 124 R HN 0.661 nan 8.270 nan 0.000 0.450 125 T N 1.440 116.219 114.554 0.376 0.000 2.894 125 T HA 0.288 4.638 4.350 -0.000 0.000 0.309 125 T C -1.545 173.235 174.700 0.133 0.000 1.208 125 T CA -0.724 61.509 62.100 0.221 0.000 1.016 125 T CB 1.403 70.356 68.868 0.141 0.000 1.192 125 T HN 0.502 nan 8.240 nan 0.000 0.491 126 D N 2.322 122.769 120.400 0.077 0.000 2.225 126 D HA 0.528 5.168 4.640 -0.000 0.000 0.249 126 D C -0.374 175.955 176.300 0.048 0.000 1.052 126 D CA -0.112 53.921 54.000 0.055 0.000 0.909 126 D CB 1.333 42.157 40.800 0.040 0.000 1.186 126 D HN 0.373 nan 8.370 nan 0.000 0.431 127 L N 1.731 122.978 121.223 0.041 0.000 2.385 127 L HA 0.356 4.696 4.340 -0.000 0.000 0.273 127 L C -0.164 176.723 176.870 0.028 0.000 0.990 127 L CA -0.804 54.058 54.840 0.036 0.000 0.821 127 L CB 1.738 43.819 42.059 0.037 0.000 1.279 127 L HN 0.098 nan 8.230 nan 0.000 0.412 128 N N 1.717 120.437 118.700 0.033 0.000 2.434 128 N HA 0.430 5.170 4.740 -0.000 0.000 0.272 128 N C -1.044 174.486 175.510 0.034 0.000 1.040 128 N CA -0.452 52.620 53.050 0.036 0.000 0.956 128 N CB 2.121 40.630 38.487 0.037 0.000 1.108 128 N HN 0.170 nan 8.380 nan 0.000 0.481 129 V N 2.406 122.340 119.914 0.034 0.000 2.409 129 V HA 0.106 4.226 4.120 -0.000 0.000 0.291 129 V C 0.428 176.548 176.094 0.044 0.000 1.020 129 V CA -0.602 61.717 62.300 0.033 0.000 0.848 129 V CB 1.596 33.425 31.823 0.011 0.000 0.990 129 V HN 0.737 nan 8.190 nan 0.000 0.430 130 D N 3.021 123.446 120.400 0.042 0.000 2.097 130 D HA -0.037 4.603 4.640 -0.000 0.000 0.197 130 D C 0.411 176.736 176.300 0.042 0.000 0.984 130 D CA 1.739 55.764 54.000 0.041 0.000 0.826 130 D CB 0.440 41.264 40.800 0.039 0.000 0.973 130 D HN 0.891 nan 8.370 nan 0.000 0.460 131 D N -2.755 117.670 120.400 0.042 0.000 2.615 131 D HA 0.089 4.729 4.640 -0.000 0.000 0.267 131 D C -0.190 176.134 176.300 0.039 0.000 1.236 131 D CA -0.639 53.386 54.000 0.042 0.000 0.839 131 D CB 0.862 41.684 40.800 0.037 0.000 1.380 131 D HN -0.147 nan 8.370 nan 0.000 0.433 132 T N -2.469 112.108 114.554 0.039 0.000 3.251 132 T HA 0.257 4.607 4.350 -0.000 0.000 0.259 132 T C 0.694 175.412 174.700 0.029 0.000 0.998 132 T CA -0.141 61.978 62.100 0.031 0.000 0.905 132 T CB -0.437 68.451 68.868 0.033 0.000 1.067 132 T HN 0.205 nan 8.240 nan 0.000 0.569 133 S N 1.286 117.006 115.700 0.034 0.000 2.406 133 S HA 0.113 4.583 4.470 -0.000 0.000 0.228 133 S C 1.090 175.715 174.600 0.041 0.000 1.020 133 S CA 0.085 58.306 58.200 0.034 0.000 0.965 133 S CB -0.007 63.214 63.200 0.034 0.000 0.798 133 S HN 0.594 nan 8.310 nan 0.000 0.488 134 S N 1.392 117.120 115.700 0.047 0.000 2.585 134 S HA 0.372 4.842 4.470 -0.000 0.000 0.277 134 S C 0.280 174.913 174.600 0.056 0.000 1.241 134 S CA -0.691 57.547 58.200 0.064 0.000 1.041 134 S CB 0.830 64.076 63.200 0.077 0.000 0.987 134 S HN 0.308 nan 8.310 nan 0.000 0.512 135 R N 1.017 121.567 120.500 0.082 0.000 2.738 135 R HA 0.320 4.660 4.340 -0.000 0.000 0.268 135 R C -0.388 175.927 176.300 0.025 0.000 1.062 135 R CA 0.116 56.230 56.100 0.024 0.000 1.158 135 R CB 0.173 30.530 30.300 0.095 0.000 1.046 135 R HN 0.480 nan 8.270 nan 0.000 0.493 136 T N 1.877 116.308 114.554 -0.204 0.000 2.881 136 T HA 0.443 4.793 4.350 -0.000 0.000 0.290 136 T C -1.232 173.304 174.700 -0.273 0.000 1.000 136 T CA -0.671 61.379 62.100 -0.083 0.000 0.978 136 T CB 0.702 69.546 68.868 -0.041 0.000 0.997 136 T HN 0.365 nan 8.240 nan 0.000 0.443 137 Y N 1.217 121.566 120.300 0.082 0.000 2.512 137 Y HA 0.601 5.151 4.550 -0.000 0.000 0.348 137 Y C -0.276 175.714 175.900 0.151 0.000 0.990 137 Y CA -1.423 56.741 58.100 0.107 0.000 1.033 137 Y CB 1.555 40.075 38.460 0.100 0.000 1.259 137 Y HN 0.384 nan 8.280 nan 0.000 0.461 138 L N 3.102 124.531 121.223 0.344 0.000 2.264 138 L HA 0.398 4.738 4.340 -0.000 0.000 0.289 138 L C -0.892 176.276 176.870 0.497 0.000 1.044 138 L CA -0.313 54.777 54.840 0.416 0.000 0.807 138 L CB 0.943 43.259 42.059 0.428 0.000 1.192 138 L HN 0.598 nan 8.230 nan 0.000 0.425 139 D N 4.672 125.345 120.400 0.456 0.000 2.549 139 D HA 0.554 5.193 4.640 -0.000 0.000 0.251 139 D C -1.183 175.355 176.300 0.397 0.000 1.153 139 D CA -0.128 54.061 54.000 0.315 0.000 0.861 139 D CB 1.074 41.987 40.800 0.188 0.000 1.207 139 D HN 0.245 nan 8.370 nan 0.000 0.543 140 F N 0.811 120.869 119.950 0.180 0.000 2.693 140 F HA 0.715 5.242 4.527 -0.000 0.000 0.309 140 F C -0.928 174.959 175.800 0.145 0.000 1.129 140 F CA -0.914 57.179 58.000 0.155 0.000 0.948 140 F CB 0.864 39.971 39.000 0.179 0.000 1.315 140 F HN 0.169 nan 8.300 nan 0.000 0.447 141 S N -0.504 115.313 115.700 0.195 0.000 2.851 141 S HA 0.828 5.298 4.470 -0.000 0.000 0.313 141 S C 0.245 174.942 174.600 0.161 0.000 1.163 141 S CA -0.618 57.665 58.200 0.139 0.000 0.850 141 S CB 0.965 64.194 63.200 0.048 0.000 1.245 141 S HN 2.574 nan 8.310 nan 0.000 0.558 142 G N -0.533 108.304 108.800 0.062 0.000 2.142 142 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.225 142 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.225 142 G C -0.024 174.841 174.900 -0.059 0.000 1.015 142 G CA -0.046 45.034 45.100 -0.033 0.000 0.716 142 G HN 1.835 nan 8.290 nan 0.000 0.508 143 V N 1.484 121.399 119.914 0.001 0.000 2.406 143 V HA 0.720 4.840 4.120 -0.000 0.000 0.272 143 V C 0.330 176.381 176.094 -0.073 0.000 1.043 143 V CA -0.897 61.370 62.300 -0.055 0.000 0.915 143 V CB 0.841 32.657 31.823 -0.012 0.000 0.988 143 V HN 0.325 nan 8.190 nan 0.000 0.466 144 L N 6.950 128.108 121.223 -0.108 0.000 2.294 144 L HA 0.469 4.809 4.340 -0.000 0.000 0.283 144 L C 1.028 177.869 176.870 -0.049 0.000 1.015 144 L CA -0.169 54.617 54.840 -0.089 0.000 0.831 144 L CB 1.561 43.562 42.059 -0.097 0.000 1.217 144 L HN 0.871 nan 8.230 nan 0.000 0.420 145 S N 1.882 117.573 115.700 -0.015 0.000 2.497 145 S HA 0.149 4.619 4.470 -0.000 0.000 0.218 145 S C 0.352 174.925 174.600 -0.046 0.000 1.023 145 S CA -0.166 58.005 58.200 -0.049 0.000 0.913 145 S CB 0.343 63.510 63.200 -0.056 0.000 0.800 145 S HN 0.765 nan 8.310 nan 0.000 0.505 146 K N -0.579 119.825 120.400 0.006 0.000 2.685 146 K HA 0.739 5.059 4.320 -0.000 0.000 0.290 146 K C -1.865 174.807 176.600 0.120 0.000 1.018 146 K CA -0.942 55.344 56.287 -0.002 0.000 0.860 146 K CB 1.016 33.441 32.500 -0.124 0.000 1.498 146 K HN 0.213 nan 8.250 nan 0.000 0.390 147 A N 1.143 124.029 122.820 0.110 0.000 2.574 147 A HA 0.528 4.848 4.320 -0.000 0.000 0.297 147 A C -1.772 175.899 177.584 0.145 0.000 1.062 147 A CA -0.868 51.291 52.037 0.204 0.000 0.686 147 A CB 1.412 20.540 19.000 0.213 0.000 1.285 147 A HN 0.683 nan 8.150 nan 0.000 0.403 148 D N 0.803 121.319 120.400 0.194 0.000 2.255 148 D HA 0.479 5.119 4.640 -0.000 0.000 0.249 148 D C -0.526 175.801 176.300 0.044 0.000 1.078 148 D CA 0.156 54.209 54.000 0.089 0.000 0.896 148 D CB 1.875 42.808 40.800 0.221 0.000 1.194 148 D HN 0.190 nan 8.370 nan 0.000 0.429 149 V N 2.191 122.020 119.914 -0.142 0.000 2.487 149 V HA 0.392 4.512 4.120 -0.000 0.000 0.298 149 V C -0.903 175.035 176.094 -0.260 0.000 1.028 149 V CA -0.811 61.324 62.300 -0.274 0.000 0.860 149 V CB 1.409 33.029 31.823 -0.338 0.000 0.991 149 V HN 0.472 nan 8.190 nan 0.000 0.427 150 W N 2.889 124.084 121.300 -0.175 0.000 2.819 150 W HA 0.797 5.457 4.660 -0.000 0.000 0.337 150 W C -0.859 175.603 176.519 -0.096 0.000 1.077 150 W CA -0.750 56.559 57.345 -0.060 0.000 1.226 150 W CB 2.164 31.659 29.460 0.060 0.000 1.419 150 W HN 0.290 nan 8.180 nan 0.000 0.502 151 V N 3.860 123.867 119.914 0.156 0.000 2.524 151 V HA 0.251 4.371 4.120 -0.000 0.000 0.297 151 V C -0.296 175.855 176.094 0.096 0.000 1.035 151 V CA -1.375 60.970 62.300 0.075 0.000 0.867 151 V CB 1.445 33.268 31.823 -0.001 0.000 1.004 151 V HN 0.719 nan 8.190 nan 0.000 0.426 152 N N 3.737 122.485 118.700 0.081 0.000 2.740 152 N HA -0.207 4.533 4.740 -0.000 0.000 0.248 152 N C 1.145 176.727 175.510 0.119 0.000 1.062 152 N CA 1.601 54.703 53.050 0.086 0.000 0.704 152 N CB -1.021 37.511 38.487 0.074 0.000 0.968 152 N HN 1.665 nan 8.380 nan 0.000 0.547 153 G N -2.361 106.533 108.800 0.157 0.000 2.159 153 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.256 153 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.256 153 G C 0.082 175.216 174.900 0.390 0.000 0.977 153 G CA 0.734 45.965 45.100 0.219 0.000 0.652 153 G HN 0.541 nan 8.290 nan 0.000 0.531 154 T N 0.615 115.368 114.554 0.330 0.000 2.807 154 T HA 0.491 4.841 4.350 -0.000 0.000 0.279 154 T C 0.032 174.658 174.700 -0.123 0.000 0.993 154 T CA -0.556 61.620 62.100 0.126 0.000 0.970 154 T CB 1.914 70.799 68.868 0.030 0.000 0.950 154 T HN 0.283 nan 8.240 nan 0.000 0.441 155 K N 3.346 123.320 120.400 -0.710 0.000 2.315 155 K HA 0.208 4.528 4.320 -0.000 0.000 0.291 155 K C 1.257 177.543 176.600 -0.524 0.000 1.074 155 K CA -0.238 55.343 56.287 -1.178 0.000 0.936 155 K CB 0.324 31.913 32.500 -1.518 0.000 1.049 155 K HN 0.521 nan 8.250 nan 0.000 0.471 156 V N 1.131 120.819 119.914 -0.377 0.000 3.174 156 V HA 0.311 4.431 4.120 -0.000 0.000 0.254 156 V C 0.450 176.444 176.094 -0.167 0.000 1.120 156 V CA 0.532 62.711 62.300 -0.201 0.000 1.114 156 V CB -0.098 31.655 31.823 -0.118 0.000 0.756 156 V HN 0.601 nan 8.190 nan 0.000 0.467 157 A N 0.374 123.066 122.820 -0.213 0.000 2.594 157 A HA 0.756 5.075 4.320 -0.000 0.000 0.295 157 A C -0.208 177.270 177.584 -0.177 0.000 1.071 157 A CA 0.148 52.099 52.037 -0.143 0.000 0.685 157 A CB 1.434 20.399 19.000 -0.057 0.000 1.285 157 A HN 0.609 nan 8.150 nan 0.000 0.405 158 T N -1.662 112.813 114.554 -0.132 0.000 2.950 158 T HA 0.463 4.813 4.350 -0.000 0.000 0.288 158 T C 0.830 175.468 174.700 -0.102 0.000 1.035 158 T CA -0.051 61.982 62.100 -0.113 0.000 1.028 158 T CB 1.336 70.142 68.868 -0.105 0.000 1.109 158 T HN 0.897 nan 8.240 nan 0.000 0.514 159 K N 0.360 120.692 120.400 -0.112 0.000 2.442 159 K HA -0.109 4.211 4.320 -0.000 0.000 0.199 159 K C 0.782 177.268 176.600 -0.190 0.000 1.044 159 K CA 1.301 57.479 56.287 -0.182 0.000 0.941 159 K CB -0.199 32.042 32.500 -0.433 0.000 0.759 159 K HN 0.490 nan 8.250 nan 0.000 0.472 160 D N 1.097 121.404 120.400 -0.154 0.000 2.194 160 D HA -0.136 4.504 4.640 -0.000 0.000 0.204 160 D C 1.921 178.161 176.300 -0.099 0.000 0.964 160 D CA 1.023 54.945 54.000 -0.130 0.000 0.846 160 D CB 0.192 40.928 40.800 -0.106 0.000 0.962 160 D HN 0.523 nan 8.370 nan 0.000 0.490 161 Q N 0.431 120.176 119.800 -0.092 0.000 2.178 161 Q HA -0.004 4.336 4.340 -0.000 0.000 0.195 161 Q C 0.393 176.335 176.000 -0.097 0.000 0.960 161 Q CA 0.431 56.197 55.803 -0.061 0.000 0.843 161 Q CB 0.591 29.297 28.738 -0.053 0.000 0.927 161 Q HN -0.088 nan 8.270 nan 0.000 0.487 162 V N 3.304 123.080 119.914 -0.230 0.000 2.287 162 V HA 0.181 4.301 4.120 -0.000 0.000 0.246 162 V C -0.418 175.586 176.094 -0.149 0.000 1.165 162 V CA -0.133 61.905 62.300 -0.438 0.000 1.088 162 V CB -0.188 31.474 31.823 -0.269 0.000 1.242 162 V HN 0.286 nan 8.190 nan 0.000 0.497 163 N N 3.399 122.074 118.700 -0.043 0.000 2.425 163 N HA 0.573 5.313 4.740 -0.000 0.000 0.289 163 N C -0.489 175.015 175.510 -0.010 0.000 1.074 163 N CA 0.582 53.602 53.050 -0.050 0.000 0.905 163 N CB 2.269 40.692 38.487 -0.107 0.000 1.586 163 N HN 0.778 nan 8.380 nan 0.000 0.490 164 G N 1.467 110.238 108.800 -0.048 0.000 3.067 164 G HA2 0.141 4.101 3.960 -0.000 0.000 0.686 164 G HA3 0.141 4.101 3.960 -0.000 0.000 0.686 164 G C 0.631 175.526 174.900 -0.008 0.000 1.119 164 G CA -0.085 44.983 45.100 -0.052 0.000 0.790 164 G HN 0.804 nan 8.290 nan 0.000 0.605 165 A N 1.463 124.219 122.820 -0.106 0.000 2.019 165 A HA 0.127 4.447 4.320 -0.000 0.000 0.219 165 A C 1.683 179.098 177.584 -0.281 0.000 1.164 165 A CA 2.354 54.226 52.037 -0.274 0.000 0.644 165 A CB -0.255 18.427 19.000 -0.531 0.000 0.805 165 A HN 1.139 nan 8.150 nan 0.000 0.449 166 Y N 0.285 120.664 120.300 0.131 0.000 2.458 166 Y HA 0.112 4.662 4.550 -0.000 0.000 0.256 166 Y C 1.206 177.145 175.900 0.066 0.000 1.159 166 Y CA 0.257 58.437 58.100 0.134 0.000 1.261 166 Y CB 0.081 38.691 38.460 0.250 0.000 1.119 166 Y HN 0.259 nan 8.280 nan 0.000 0.524 167 T N -0.113 114.527 114.554 0.143 0.000 2.814 167 T HA 0.179 4.528 4.350 -0.000 0.000 0.297 167 T C -0.080 174.420 174.700 -0.334 0.000 0.956 167 T CA -0.807 61.260 62.100 -0.055 0.000 1.123 167 T CB 1.297 70.156 68.868 -0.014 0.000 0.902 167 T HN 0.210 nan 8.240 nan 0.000 0.528 168 R N 2.652 122.910 120.500 -0.402 0.000 2.357 168 R HA 0.253 4.593 4.340 -0.000 0.000 0.296 168 R C -0.609 175.173 176.300 -0.863 0.000 1.052 168 R CA -0.611 55.208 56.100 -0.469 0.000 0.988 168 R CB 0.419 30.611 30.300 -0.179 0.000 1.025 168 R HN 0.775 nan 8.270 nan 0.000 0.469 169 H N 2.171 120.982 119.070 -0.432 0.000 2.538 169 H HA 0.198 4.754 4.556 -0.000 0.000 0.353 169 H C -1.147 174.013 175.328 -0.281 0.000 1.109 169 H CA -0.790 54.986 56.048 -0.454 0.000 1.192 169 H CB 2.210 31.485 29.762 -0.811 0.000 1.555 169 H HN 0.559 nan 8.280 nan 0.000 0.518 170 D N 3.748 124.159 120.400 0.017 0.000 2.378 170 D HA 0.215 4.855 4.640 -0.000 0.000 0.265 170 D C -0.868 175.555 176.300 0.204 0.000 1.229 170 D CA -0.398 53.669 54.000 0.111 0.000 0.914 170 D CB 0.145 40.981 40.800 0.059 0.000 1.140 170 D HN 0.362 nan 8.370 nan 0.000 0.516 171 L N 2.388 123.775 121.223 0.272 0.000 2.262 171 L HA 0.342 4.682 4.340 -0.000 0.000 0.288 171 L C 0.313 177.300 176.870 0.195 0.000 1.035 171 L CA -0.901 54.076 54.840 0.229 0.000 0.820 171 L CB 1.293 43.499 42.059 0.245 0.000 1.204 171 L HN 0.218 nan 8.230 nan 0.000 0.424 172 D N 4.742 125.209 120.400 0.112 0.000 2.338 172 D HA 0.137 4.776 4.640 -0.000 0.000 0.255 172 D C 0.604 176.801 176.300 -0.172 0.000 1.237 172 D CA -0.051 53.834 54.000 -0.191 0.000 0.883 172 D CB 1.028 41.746 40.800 -0.137 0.000 1.087 172 D HN 0.539 nan 8.370 nan 0.000 0.485 173 I N 0.506 120.943 120.570 -0.222 0.000 3.936 173 I HA 0.151 4.321 4.170 -0.000 0.000 0.330 173 I C 1.206 177.241 176.117 -0.137 0.000 1.509 173 I CA -0.544 60.683 61.300 -0.122 0.000 1.126 173 I CB 0.374 38.341 38.000 -0.055 0.000 1.115 173 I HN 0.017 nan 8.210 nan 0.000 0.424 174 T N 1.780 116.212 114.554 -0.203 0.000 2.699 174 T HA -0.219 4.131 4.350 -0.000 0.000 0.268 174 T C 2.147 176.799 174.700 -0.080 0.000 1.036 174 T CA 2.184 64.194 62.100 -0.150 0.000 1.147 174 T CB -0.196 68.565 68.868 -0.178 0.000 0.862 174 T HN 0.633 nan 8.240 nan 0.000 0.446 175 A N 0.833 123.612 122.820 -0.069 0.000 2.024 175 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 175 A C 2.208 179.780 177.584 -0.020 0.000 1.164 175 A CA 1.527 53.542 52.037 -0.035 0.000 0.643 175 A CB -0.447 18.534 19.000 -0.032 0.000 0.806 175 A HN 0.446 nan 8.150 nan 0.000 0.451 176 Q N -1.165 118.615 119.800 -0.033 0.000 2.391 176 Q HA 0.239 4.579 4.340 -0.000 0.000 0.211 176 Q C 0.283 176.257 176.000 -0.043 0.000 0.908 176 Q CA 0.217 56.008 55.803 -0.019 0.000 0.920 176 Q CB 0.160 28.884 28.738 -0.023 0.000 1.056 176 Q HN 0.356 nan 8.270 nan 0.000 0.523 177 V N 3.132 123.003 119.914 -0.071 0.000 2.583 177 V HA 0.127 4.247 4.120 -0.000 0.000 0.287 177 V C 0.159 176.212 176.094 -0.068 0.000 1.051 177 V CA -0.361 61.859 62.300 -0.133 0.000 1.010 177 V CB 0.463 32.225 31.823 -0.101 0.000 0.988 177 V HN 0.406 nan 8.190 nan 0.000 0.478 178 H N 1.425 120.502 119.070 0.011 0.000 2.797 178 H HA 0.685 5.241 4.556 -0.000 0.000 0.362 178 H C 0.044 175.381 175.328 0.015 0.000 1.183 178 H CA -0.594 55.461 56.048 0.011 0.000 1.197 178 H CB 1.664 31.432 29.762 0.011 0.000 1.835 178 H HN 0.639 nan 8.280 nan 0.000 0.567 179 T N 0.161 114.849 114.554 0.224 0.000 2.928 179 T HA 0.424 4.774 4.350 -0.000 0.000 0.305 179 T C 1.152 175.982 174.700 0.217 0.000 1.035 179 T CA 1.139 63.331 62.100 0.153 0.000 1.145 179 T CB -0.477 nan 68.868 nan 0.000 0.963 179 T HN 1.087 nan 8.240 nan 0.000 0.545 180 G N 1.143 110.029 108.800 0.144 0.000 2.475 180 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.223 180 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.223 180 G C -0.191 174.791 174.900 0.137 0.000 1.201 180 G CA -0.204 44.976 45.100 0.134 0.000 0.962 180 G HN 1.425 nan 8.290 nan 0.000 0.586 181 V N 3.192 123.202 119.914 0.160 0.000 2.439 181 V HA 0.362 4.482 4.120 -0.000 0.000 0.271 181 V C 0.533 176.727 176.094 0.167 0.000 1.040 181 V CA -0.172 62.206 62.300 0.130 0.000 1.002 181 V CB 0.634 32.518 31.823 0.101 0.000 1.000 181 V HN 0.592 nan 8.190 nan 0.000 0.477 182 N N 2.780 121.486 118.700 0.011 0.000 2.432 182 N HA 0.584 5.324 4.740 -0.000 0.000 0.292 182 N C -0.848 174.661 175.510 -0.003 0.000 1.193 182 N CA -0.566 52.426 53.050 -0.097 0.000 0.878 182 N CB 2.218 40.571 38.487 -0.224 0.000 1.252 182 N HN 0.563 nan 8.380 nan 0.000 0.520 183 S N 0.405 116.108 115.700 0.005 0.000 2.526 183 S HA 0.555 5.024 4.470 -0.000 0.000 0.293 183 S C -0.535 174.095 174.600 0.049 0.000 1.092 183 S CA -0.678 57.544 58.200 0.037 0.000 0.980 183 S CB 2.035 65.252 63.200 0.028 0.000 1.048 183 S HN 0.243 nan 8.310 nan 0.000 0.483 184 V N 1.498 121.469 119.914 0.095 0.000 2.680 184 V HA 0.925 5.045 4.120 -0.000 0.000 0.309 184 V C -0.374 175.827 176.094 0.180 0.000 1.052 184 V CA -0.654 61.704 62.300 0.097 0.000 0.908 184 V CB 1.621 33.507 31.823 0.106 0.000 1.001 184 V HN 1.035 nan 8.190 nan 0.000 0.431 185 A N 3.900 126.810 122.820 0.149 0.000 2.408 185 A HA 0.868 5.188 4.320 -0.000 0.000 0.295 185 A C -1.293 176.454 177.584 0.271 0.000 1.040 185 A CA -0.383 51.872 52.037 0.364 0.000 0.707 185 A CB 0.952 20.188 19.000 0.393 0.000 1.235 185 A HN 0.615 nan 8.150 nan 0.000 0.418 186 F N 1.965 122.104 119.950 0.315 0.000 2.415 186 F HA 0.428 4.954 4.527 -0.000 0.000 0.348 186 F C 0.847 176.578 175.800 -0.116 0.000 1.119 186 F CA -0.301 57.750 58.000 0.085 0.000 1.069 186 F CB 1.790 40.729 39.000 -0.101 0.000 1.124 186 F HN 0.486 nan 8.300 nan 0.000 0.472 187 K N 4.293 124.517 120.400 -0.294 0.000 2.268 187 K HA 0.439 4.759 4.320 -0.000 0.000 0.276 187 K C -1.293 175.101 176.600 -0.343 0.000 1.080 187 K CA -0.261 55.493 56.287 -0.889 0.000 0.910 187 K CB 0.817 32.593 32.500 -1.207 0.000 1.163 187 K HN 0.488 nan 8.250 nan 0.000 0.465 188 V N 6.069 125.837 119.914 -0.243 0.000 2.370 188 V HA 0.243 4.363 4.120 -0.000 0.000 0.279 188 V C -0.469 175.584 176.094 -0.068 0.000 1.029 188 V CA -0.805 61.466 62.300 -0.049 0.000 0.870 188 V CB 0.466 32.257 31.823 -0.055 0.000 0.984 188 V HN 0.578 nan 8.190 nan 0.000 0.451 189 Y N 5.467 125.750 120.300 -0.028 0.000 2.307 189 Y HA 0.352 4.902 4.550 -0.000 0.000 0.324 189 Y C -1.746 174.167 175.900 0.022 0.000 1.238 189 Y CA -2.235 55.866 58.100 0.001 0.000 1.280 189 Y CB 0.741 39.187 38.460 -0.024 0.000 1.248 189 Y HN 0.461 nan 8.280 nan 0.000 0.508 190 P HA -0.134 nan 4.420 nan 0.000 0.267 190 P C -0.921 176.427 177.300 0.080 0.000 1.195 190 P CA 0.313 63.493 63.100 0.132 0.000 0.773 190 P CB 0.464 32.248 31.700 0.139 0.000 0.837 191 N N 1.574 120.295 118.700 0.036 0.000 2.400 191 N HA 0.301 5.041 4.740 -0.000 0.000 0.288 191 N C -1.554 173.949 175.510 -0.012 0.000 1.024 191 N CA -0.392 52.655 53.050 -0.005 0.000 0.894 191 N CB 0.624 39.095 38.487 -0.028 0.000 1.173 191 N HN 0.163 nan 8.380 nan 0.000 0.487 192 D N 3.783 124.162 120.400 -0.036 0.000 2.473 192 D HA 0.344 4.984 4.640 -0.000 0.000 0.253 192 D C -2.067 174.190 176.300 -0.072 0.000 1.233 192 D CA -2.077 51.899 54.000 -0.040 0.000 0.908 192 D CB 2.055 42.835 40.800 -0.032 0.000 1.170 192 D HN 0.349 nan 8.370 nan 0.000 0.558 193 P HA -0.046 nan 4.420 nan 0.000 0.226 193 P C 0.451 177.701 177.300 -0.085 0.000 1.153 193 P CA 0.747 63.795 63.100 -0.086 0.000 0.777 193 P CB 0.407 32.054 31.700 -0.087 0.000 0.794 194 N N -0.409 118.252 118.700 -0.066 0.000 2.409 194 N HA -0.034 4.706 4.740 -0.000 0.000 0.179 194 N C 2.046 177.498 175.510 -0.096 0.000 1.032 194 N CA 0.248 53.262 53.050 -0.059 0.000 0.898 194 N CB -0.149 38.319 38.487 -0.032 0.000 0.971 194 N HN 0.097 nan 8.380 nan 0.000 0.441 195 R N 0.292 120.720 120.500 -0.120 0.000 2.195 195 R HA 0.101 4.441 4.340 -0.000 0.000 0.197 195 R C -0.745 175.411 176.300 -0.240 0.000 0.990 195 R CA 0.463 56.471 56.100 -0.153 0.000 1.048 195 R CB 0.585 30.818 30.300 -0.111 0.000 0.997 195 R HN 0.070 nan 8.270 nan 0.000 0.502 196 D N 1.004 121.257 120.400 -0.245 0.000 2.248 196 D HA 0.188 4.828 4.640 -0.000 0.000 0.246 196 D C -0.699 175.341 176.300 -0.434 0.000 1.027 196 D CA -0.454 53.363 54.000 -0.305 0.000 0.853 196 D CB 2.256 42.935 40.800 -0.202 0.000 1.243 196 D HN 0.067 nan 8.370 nan 0.000 0.462 197 L N 2.002 122.861 121.223 -0.607 0.000 2.448 197 L HA 0.152 4.492 4.340 -0.000 0.000 0.278 197 L C 0.869 177.546 176.870 -0.322 0.000 1.201 197 L CA 0.353 54.609 54.840 -0.972 0.000 1.036 197 L CB -0.087 41.159 42.059 -1.355 0.000 1.325 197 L HN 0.218 nan 8.230 nan 0.000 0.441 198 S N 1.996 117.684 115.700 -0.020 0.000 4.205 198 S HA 0.697 5.167 4.470 -0.000 0.000 0.268 198 S C -0.825 173.836 174.600 0.102 0.000 1.082 198 S CA -0.589 57.619 58.200 0.014 0.000 1.431 198 S CB 1.067 64.201 63.200 -0.110 0.000 1.370 198 S HN 0.380 nan 8.310 nan 0.000 0.740 199 M N 0.894 120.406 119.600 -0.147 0.000 2.446 199 M HA 0.642 5.122 4.480 -0.000 0.000 0.294 199 M C -0.271 175.775 176.300 -0.424 0.000 1.158 199 M CA -0.686 54.375 55.300 -0.398 0.000 0.899 199 M CB 2.084 34.337 32.600 -0.579 0.000 1.687 199 M HN 0.716 nan 8.290 nan 0.000 0.455 200 G N 0.412 108.883 108.800 -0.549 0.000 2.725 200 G HA2 0.617 4.577 3.960 -0.000 0.000 0.288 200 G HA3 0.617 4.577 3.960 -0.000 0.000 0.288 200 G C -1.644 172.889 174.900 -0.612 0.000 1.399 200 G CA -0.525 44.303 45.100 -0.454 0.000 0.859 200 G HN 0.941 nan 8.290 nan 0.000 0.479 201 W N 0.374 121.592 121.300 -0.137 0.000 3.239 201 W HA 0.403 5.063 4.660 -0.000 0.000 0.348 201 W C 1.360 177.644 176.519 -0.393 0.000 1.183 201 W CA -0.316 56.868 57.345 -0.267 0.000 1.819 201 W CB -0.465 28.888 29.460 -0.179 0.000 1.091 201 W HN 0.532 nan 8.180 nan 0.000 0.629 202 I N 0.670 121.146 120.570 -0.157 0.000 4.908 202 I HA -0.500 3.670 4.170 -0.000 0.000 0.038 202 I C 1.331 177.516 176.117 0.114 0.000 0.635 202 I CA 1.941 63.184 61.300 -0.095 0.000 0.202 202 I CB -0.870 36.970 38.000 -0.266 0.000 0.318 202 I HN 0.025 nan 8.210 nan 0.000 0.150 203 D N -0.623 119.976 120.400 0.332 0.000 2.424 203 D HA 0.071 4.710 4.640 -0.000 0.000 0.220 203 D C 1.019 177.734 176.300 0.692 0.000 1.150 203 D CA -0.078 54.231 54.000 0.514 0.000 0.831 203 D CB -0.228 40.978 40.800 0.677 0.000 0.981 203 D HN 0.534 nan 8.370 nan 0.000 0.500 204 W N 1.627 123.157 121.300 0.383 0.000 2.453 204 W HA 0.485 5.144 4.660 -0.000 0.000 0.289 204 W C 1.316 177.936 176.519 0.167 0.000 1.215 204 W CA 0.468 58.035 57.345 0.369 0.000 1.297 204 W CB -0.534 29.105 29.460 0.299 0.000 1.113 204 W HN 0.205 nan 8.180 nan 0.000 0.551 205 A N -1.335 121.586 122.820 0.167 0.000 3.972 205 A HA 0.592 4.912 4.320 -0.000 0.000 0.166 205 A C -0.574 176.763 177.584 -0.413 0.000 0.722 205 A CA -0.343 51.536 52.037 -0.264 0.000 1.045 205 A CB 0.492 18.929 19.000 -0.938 0.000 1.949 205 A HN -0.160 nan 8.150 nan 0.000 0.853 206 Q N 0.182 119.459 119.800 -0.871 0.000 2.433 206 Q HA 0.496 4.836 4.340 -0.000 0.000 0.279 206 Q C -1.323 174.345 176.000 -0.553 0.000 1.105 206 Q CA -0.480 54.924 55.803 -0.666 0.000 0.815 206 Q CB 1.683 29.859 28.738 -0.936 0.000 1.403 206 Q HN 0.643 nan 8.270 nan 0.000 0.435 207 T N 3.582 117.976 114.554 -0.268 0.000 2.834 207 T HA 0.261 4.611 4.350 -0.000 0.000 0.298 207 T C -2.235 172.362 174.700 -0.172 0.000 0.966 207 T CA -0.828 61.184 62.100 -0.147 0.000 1.141 207 T CB 0.118 68.960 68.868 -0.044 0.000 0.905 207 T HN 0.221 nan 8.240 nan 0.000 0.535 208 P HA 0.206 nan 4.420 nan 0.000 0.271 208 P C -2.026 175.152 177.300 -0.202 0.000 1.216 208 P CA -1.732 61.318 63.100 -0.083 0.000 0.776 208 P CB 0.228 31.990 31.700 0.104 0.000 0.881 209 P HA -0.181 nan 4.420 nan 0.000 0.216 209 P C 0.782 177.832 177.300 -0.418 0.000 1.150 209 P CA 1.617 64.472 63.100 -0.409 0.000 0.837 209 P CB -0.104 31.204 31.700 -0.652 0.000 0.786 210 D N -1.574 118.333 120.400 -0.821 0.000 2.339 210 D HA -0.022 4.618 4.640 -0.000 0.000 0.217 210 D C 0.667 176.792 176.300 -0.291 0.000 1.050 210 D CA -0.079 53.417 54.000 -0.841 0.000 0.856 210 D CB -0.774 39.251 40.800 -1.292 0.000 0.922 210 D HN 0.043 nan 8.370 nan 0.000 0.518 211 Q N 0.405 120.112 119.800 -0.156 0.000 2.481 211 Q HA -0.277 4.063 4.340 -0.000 0.000 0.272 211 Q C -0.530 175.478 176.000 0.014 0.000 1.157 211 Q CA 0.894 56.685 55.803 -0.019 0.000 0.935 211 Q CB -1.783 26.947 28.738 -0.013 0.000 1.338 211 Q HN 0.328 nan 8.270 nan 0.000 0.494 212 N N -1.963 116.753 118.700 0.027 0.000 2.753 212 N HA -0.237 4.503 4.740 -0.000 0.000 0.251 212 N C 0.202 175.706 175.510 -0.010 0.000 1.097 212 N CA 1.671 54.762 53.050 0.068 0.000 0.786 212 N CB -1.944 36.636 38.487 0.155 0.000 1.137 212 N HN 0.794 nan 8.380 nan 0.000 0.566 213 M N -0.948 118.614 119.600 -0.062 0.000 2.250 213 M HA 0.379 4.858 4.480 -0.000 0.000 0.337 213 M C 1.016 177.287 176.300 -0.049 0.000 1.161 213 M CA 1.259 56.527 55.300 -0.054 0.000 1.088 213 M CB 0.675 33.256 32.600 -0.032 0.000 1.639 213 M HN 0.276 nan 8.290 nan 0.000 0.447 214 G N 3.205 111.945 108.800 -0.099 0.000 2.278 214 G HA2 0.194 4.154 3.960 -0.000 0.000 0.265 214 G HA3 0.194 4.154 3.960 -0.000 0.000 0.265 214 G C -1.528 173.114 174.900 -0.429 0.000 1.329 214 G CA -0.767 44.180 45.100 -0.255 0.000 1.017 214 G HN 0.907 nan 8.290 nan 0.000 0.472 215 I N 1.596 121.844 120.570 -0.535 0.000 2.439 215 I HA 0.383 4.553 4.170 -0.000 0.000 0.283 215 I C 1.088 177.095 176.117 -0.183 0.000 1.023 215 I CA -0.815 60.211 61.300 -0.456 0.000 1.100 215 I CB 1.880 39.399 38.000 -0.803 0.000 1.238 215 I HN 0.742 nan 8.210 nan 0.000 0.445 216 V N 2.218 122.075 119.914 -0.094 0.000 3.621 216 V HA 0.406 4.526 4.120 -0.000 0.000 0.285 216 V C 0.729 176.825 176.094 0.004 0.000 1.346 216 V CA 0.243 62.542 62.300 -0.001 0.000 1.104 216 V CB -0.449 31.384 31.823 0.017 0.000 0.913 216 V HN 0.685 nan 8.190 nan 0.000 0.432 217 R N -0.007 120.484 120.500 -0.014 0.000 2.930 217 R HA 0.536 4.876 4.340 -0.000 0.000 0.257 217 R C -1.084 175.241 176.300 0.042 0.000 1.107 217 R CA -0.980 55.114 56.100 -0.009 0.000 0.999 217 R CB 0.675 30.975 30.300 0.001 0.000 1.209 217 R HN 0.133 nan 8.270 nan 0.000 0.486 218 D N 0.759 121.196 120.400 0.060 0.000 2.414 218 D HA 0.099 4.738 4.640 -0.000 0.000 0.242 218 D C -0.500 175.901 176.300 0.168 0.000 1.129 218 D CA 0.182 54.253 54.000 0.119 0.000 0.885 218 D CB 0.976 41.837 40.800 0.102 0.000 1.198 218 D HN 0.015 nan 8.370 nan 0.000 0.437 219 V N 3.462 123.498 119.914 0.204 0.000 2.407 219 V HA 0.255 4.375 4.120 -0.000 0.000 0.278 219 V C 0.382 176.623 176.094 0.245 0.000 1.037 219 V CA -0.682 61.773 62.300 0.259 0.000 0.900 219 V CB 0.923 32.880 31.823 0.223 0.000 0.983 219 V HN 0.273 nan 8.190 nan 0.000 0.459 220 L N 5.248 126.629 121.223 0.263 0.000 2.309 220 L HA 0.553 4.893 4.340 -0.000 0.000 0.282 220 L C -0.371 176.636 176.870 0.228 0.000 1.036 220 L CA -0.789 54.176 54.840 0.208 0.000 0.806 220 L CB 1.800 43.966 42.059 0.178 0.000 1.220 220 L HN 0.331 nan 8.230 nan 0.000 0.429 221 V N 4.024 124.049 119.914 0.185 0.000 2.364 221 V HA 0.360 4.480 4.120 -0.000 0.000 0.272 221 V C 0.249 176.446 176.094 0.171 0.000 1.036 221 V CA -0.523 61.886 62.300 0.181 0.000 0.880 221 V CB 0.918 32.825 31.823 0.140 0.000 0.991 221 V HN 0.704 nan 8.190 nan 0.000 0.460 222 R N 5.024 125.651 120.500 0.213 0.000 2.474 222 R HA 0.704 5.044 4.340 -0.000 0.000 0.295 222 R C -0.603 175.843 176.300 0.244 0.000 0.980 222 R CA -0.806 55.412 56.100 0.198 0.000 0.934 222 R CB 1.930 32.329 30.300 0.166 0.000 1.101 222 R HN 0.585 nan 8.270 nan 0.000 0.469 223 R N 1.205 121.812 120.500 0.180 0.000 2.513 223 R HA 0.399 4.738 4.340 -0.000 0.000 0.301 223 R C -0.782 175.609 176.300 0.151 0.000 0.968 223 R CA -0.575 55.631 56.100 0.177 0.000 0.872 223 R CB 2.136 32.507 30.300 0.118 0.000 1.177 223 R HN 0.891 nan 8.270 nan 0.000 0.444 224 S N 0.030 115.842 115.700 0.188 0.000 2.705 224 S HA 0.700 5.170 4.470 -0.000 0.000 0.280 224 S C 0.156 174.840 174.600 0.140 0.000 1.174 224 S CA -0.635 57.646 58.200 0.134 0.000 0.823 224 S CB 1.856 65.108 63.200 0.088 0.000 1.162 224 S HN 0.570 nan 8.310 nan 0.000 0.487 225 G N 0.262 109.123 108.800 0.102 0.000 3.137 225 G HA2 0.537 4.497 3.960 -0.000 0.000 0.163 225 G HA3 0.537 4.497 3.960 -0.000 0.000 0.163 225 G C 1.187 176.147 174.900 0.100 0.000 1.602 225 G CA -0.103 45.050 45.100 0.088 0.000 1.067 225 G HN 1.241 nan 8.290 nan 0.000 0.568 226 A N -1.489 121.376 122.820 0.075 0.000 1.969 226 A HA 0.336 4.656 4.320 -0.000 0.000 0.218 226 A C 0.868 178.499 177.584 0.077 0.000 1.169 226 A CA 0.943 53.024 52.037 0.073 0.000 0.635 226 A CB -0.349 18.682 19.000 0.051 0.000 0.810 226 A HN 0.358 nan 8.150 nan 0.000 0.445 227 V N 0.114 120.065 119.914 0.062 0.000 2.435 227 V HA 0.598 4.718 4.120 -0.000 0.000 0.290 227 V C 0.191 176.298 176.094 0.022 0.000 1.030 227 V CA -0.450 61.875 62.300 0.042 0.000 0.881 227 V CB 1.159 33.000 31.823 0.030 0.000 0.983 227 V HN 0.453 nan 8.190 nan 0.000 0.445 228 A N 5.244 128.055 122.820 -0.014 0.000 2.274 228 A HA 0.759 5.079 4.320 -0.000 0.000 0.309 228 A C -0.829 176.717 177.584 -0.065 0.000 1.226 228 A CA -0.420 51.554 52.037 -0.106 0.000 0.853 228 A CB 0.764 19.606 19.000 -0.264 0.000 1.146 228 A HN 0.770 nan 8.150 nan 0.000 0.518 229 L N 2.689 123.880 121.223 -0.054 0.000 2.275 229 L HA 0.779 5.119 4.340 -0.000 0.000 0.288 229 L C 0.027 176.884 176.870 -0.022 0.000 1.046 229 L CA 0.164 54.996 54.840 -0.015 0.000 0.805 229 L CB 0.862 42.928 42.059 0.010 0.000 1.193 229 L HN 0.809 nan 8.230 nan 0.000 0.426 230 R N 2.253 122.756 120.500 0.005 0.000 2.707 230 R HA 0.468 4.808 4.340 -0.000 0.000 0.272 230 R C -0.068 176.267 176.300 0.059 0.000 1.011 230 R CA -0.025 56.083 56.100 0.014 0.000 0.893 230 R CB 1.929 32.225 30.300 -0.008 0.000 1.233 230 R HN 0.638 nan 8.270 nan 0.000 0.464 231 S N 0.630 116.368 115.700 0.064 0.000 3.614 231 S HA -0.209 4.261 4.470 -0.000 0.000 0.360 231 S C -0.538 174.180 174.600 0.196 0.000 1.023 231 S CA 0.501 58.761 58.200 0.100 0.000 1.114 231 S CB -0.980 62.297 63.200 0.128 0.000 0.907 231 S HN 0.744 nan 8.310 nan 0.000 0.470 232 A N 2.876 125.776 122.820 0.133 0.000 2.409 232 A HA 0.612 4.931 4.320 -0.000 0.000 0.267 232 A C 0.219 177.889 177.584 0.143 0.000 1.127 232 A CA 0.385 52.487 52.037 0.108 0.000 0.795 232 A CB 0.261 19.285 19.000 0.039 0.000 1.061 232 A HN 1.017 nan 8.150 nan 0.000 0.502 233 H N -0.759 118.272 119.070 -0.066 0.000 2.981 233 H HA 0.630 5.186 4.556 -0.000 0.000 0.327 233 H C -2.058 173.156 175.328 -0.190 0.000 1.342 233 H CA -1.133 54.845 56.048 -0.116 0.000 1.123 233 H CB 0.864 30.565 29.762 -0.102 0.000 1.851 233 H HN 0.389 nan 8.280 nan 0.000 0.531 234 V N 2.347 122.116 119.914 -0.241 0.000 2.378 234 V HA 0.281 4.400 4.120 -0.000 0.000 0.288 234 V C 0.555 176.474 176.094 -0.292 0.000 1.016 234 V CA -0.653 61.365 62.300 -0.470 0.000 0.840 234 V CB 0.995 32.191 31.823 -1.044 0.000 0.994 234 V HN 0.523 nan 8.190 nan 0.000 0.431 235 I N 5.070 125.504 120.570 -0.225 0.000 2.471 235 I HA 0.296 4.466 4.170 -0.000 0.000 0.286 235 I C 0.279 176.285 176.117 -0.184 0.000 1.079 235 I CA 0.360 61.577 61.300 -0.138 0.000 1.398 235 I CB 0.675 38.627 38.000 -0.079 0.000 1.403 235 I HN 0.601 nan 8.210 nan 0.000 0.530 236 Q N 7.712 127.428 119.800 -0.140 0.000 2.310 236 Q HA 0.416 4.756 4.340 -0.000 0.000 0.270 236 Q C -1.560 174.400 176.000 -0.067 0.000 1.025 236 Q CA -0.967 54.770 55.803 -0.110 0.000 0.772 236 Q CB 2.052 30.763 28.738 -0.045 0.000 1.253 236 Q HN 0.561 nan 8.270 nan 0.000 0.450 237 K N 3.980 124.343 120.400 -0.061 0.000 2.463 237 K HA 0.469 4.789 4.320 -0.000 0.000 0.255 237 K C -1.675 174.906 176.600 -0.031 0.000 0.942 237 K CA -0.588 55.675 56.287 -0.039 0.000 0.814 237 K CB 1.188 33.671 32.500 -0.029 0.000 1.122 237 K HN 0.553 nan 8.250 nan 0.000 0.425 238 L N 4.438 125.651 121.223 -0.017 0.000 2.325 238 L HA 0.520 4.860 4.340 -0.000 0.000 0.278 238 L C -0.652 176.232 176.870 0.023 0.000 1.023 238 L CA -0.336 54.501 54.840 -0.005 0.000 0.811 238 L CB 1.149 43.201 42.059 -0.011 0.000 1.249 238 L HN 0.886 nan 8.230 nan 0.000 0.431 239 N N 1.374 120.107 118.700 0.055 0.000 2.424 239 N HA 0.046 4.786 4.740 -0.000 0.000 0.257 239 N C 0.685 176.229 175.510 0.057 0.000 1.250 239 N CA 0.241 53.332 53.050 0.069 0.000 0.946 239 N CB 0.392 38.941 38.487 0.104 0.000 1.175 239 N HN 0.628 nan 8.380 nan 0.000 0.477 240 S N -0.812 114.920 115.700 0.053 0.000 2.447 240 S HA -0.057 4.413 4.470 -0.000 0.000 0.233 240 S C 1.705 176.348 174.600 0.071 0.000 1.006 240 S CA 0.470 58.703 58.200 0.056 0.000 0.957 240 S CB -0.677 62.553 63.200 0.049 0.000 0.773 240 S HN 0.777 nan 8.310 nan 0.000 0.507 241 A N 1.628 124.492 122.820 0.074 0.000 2.121 241 A HA 0.348 4.668 4.320 -0.000 0.000 0.218 241 A C 1.390 179.036 177.584 0.103 0.000 1.154 241 A CA 0.914 53.001 52.037 0.084 0.000 0.679 241 A CB -0.812 18.233 19.000 0.074 0.000 0.795 241 A HN 0.756 nan 8.150 nan 0.000 0.458 242 L N -1.492 119.789 121.223 0.096 0.000 4.291 242 L HA -0.235 4.105 4.340 -0.000 0.000 0.413 242 L C 0.395 177.331 176.870 0.110 0.000 1.162 242 L CA 0.668 55.567 54.840 0.098 0.000 0.961 242 L CB -2.056 40.082 42.059 0.133 0.000 2.095 242 L HN 0.695 nan 8.230 nan 0.000 0.838 243 D N -1.699 118.769 120.400 0.112 0.000 2.469 243 D HA 0.168 4.808 4.640 -0.000 0.000 0.215 243 D C 0.352 176.744 176.300 0.153 0.000 1.154 243 D CA 0.153 54.224 54.000 0.118 0.000 0.832 243 D CB 0.191 41.055 40.800 0.107 0.000 1.008 243 D HN 0.578 nan 8.370 nan 0.000 0.506 244 H N -0.035 119.060 119.070 0.041 0.000 2.947 244 H HA 0.670 5.226 4.556 -0.000 0.000 0.354 244 H C -1.752 173.589 175.328 0.022 0.000 1.085 244 H CA -0.473 55.592 56.048 0.028 0.000 1.253 244 H CB 1.832 31.606 29.762 0.020 0.000 1.757 244 H HN 0.097 nan 8.280 nan 0.000 0.523 245 A N 4.041 126.503 122.820 -0.597 0.000 2.374 245 A HA 0.512 4.831 4.320 -0.000 0.000 0.317 245 A C -1.106 176.196 177.584 -0.472 0.000 1.094 245 A CA -0.821 51.002 52.037 -0.356 0.000 0.765 245 A CB 1.278 20.173 19.000 -0.176 0.000 1.268 245 A HN 0.768 nan 8.150 nan 0.000 0.438 246 D N 1.194 121.469 120.400 -0.207 0.000 2.278 246 D HA 0.514 5.154 4.640 -0.000 0.000 0.245 246 D C -1.331 174.894 176.300 -0.125 0.000 1.052 246 D CA -0.105 53.822 54.000 -0.122 0.000 0.834 246 D CB 1.974 42.765 40.800 -0.016 0.000 1.194 246 D HN 0.164 nan 8.370 nan 0.000 0.481 247 L N 2.044 123.184 121.223 -0.139 0.000 2.342 247 L HA 0.270 4.610 4.340 -0.000 0.000 0.276 247 L C 0.059 176.827 176.870 -0.171 0.000 0.997 247 L CA -0.474 54.245 54.840 -0.203 0.000 0.838 247 L CB 1.547 43.459 42.059 -0.244 0.000 1.224 247 L HN 0.188 nan 8.230 nan 0.000 0.416 248 T N 2.979 117.427 114.554 -0.177 0.000 2.801 248 T HA 0.481 4.831 4.350 -0.000 0.000 0.306 248 T C 0.189 174.770 174.700 -0.199 0.000 1.020 248 T CA -0.395 61.625 62.100 -0.133 0.000 0.948 248 T CB 1.045 69.861 68.868 -0.087 0.000 0.962 248 T HN 0.142 nan 8.240 nan 0.000 0.465 249 V N 4.743 124.554 119.914 -0.172 0.000 2.583 249 V HA 0.365 4.485 4.120 -0.000 0.000 0.287 249 V C 0.301 176.355 176.094 -0.067 0.000 1.051 249 V CA -0.262 61.896 62.300 -0.236 0.000 1.010 249 V CB 0.930 32.494 31.823 -0.431 0.000 0.988 249 V HN 0.718 nan 8.190 nan 0.000 0.478 250 K N 3.135 123.372 120.400 -0.273 0.000 2.482 250 K HA 0.832 5.152 4.320 -0.000 0.000 0.251 250 K C -0.963 175.559 176.600 -0.130 0.000 0.936 250 K CA -0.470 55.695 56.287 -0.204 0.000 0.791 250 K CB 2.408 34.681 32.500 -0.379 0.000 1.213 250 K HN 0.802 nan 8.250 nan 0.000 0.428 251 A N 2.456 125.316 122.820 0.067 0.000 2.520 251 A HA 0.488 4.807 4.320 -0.000 0.000 0.298 251 A C -1.640 175.997 177.584 0.089 0.000 1.051 251 A CA -0.881 51.217 52.037 0.102 0.000 0.690 251 A CB 1.208 20.292 19.000 0.139 0.000 1.281 251 A HN 0.613 nan 8.150 nan 0.000 0.402 252 D N 1.056 121.506 120.400 0.084 0.000 2.210 252 D HA 0.497 5.137 4.640 -0.000 0.000 0.249 252 D C -0.073 176.248 176.300 0.035 0.000 1.062 252 D CA 0.214 54.248 54.000 0.056 0.000 0.891 252 D CB 1.771 42.608 40.800 0.062 0.000 1.186 252 D HN 0.655 nan 8.370 nan 0.000 0.432 253 V N -0.002 119.924 119.914 0.020 0.000 2.588 253 V HA 0.649 4.769 4.120 -0.000 0.000 0.304 253 V C -0.357 175.742 176.094 0.007 0.000 1.042 253 V CA -1.035 61.272 62.300 0.011 0.000 0.877 253 V CB 2.033 33.862 31.823 0.010 0.000 0.996 253 V HN 0.431 nan 8.190 nan 0.000 0.425 254 R N 3.185 123.688 120.500 0.005 0.000 2.451 254 R HA 0.429 4.769 4.340 -0.000 0.000 0.307 254 R C -0.853 175.465 176.300 0.030 0.000 0.965 254 R CA -0.508 55.600 56.100 0.015 0.000 0.865 254 R CB 1.319 31.627 30.300 0.013 0.000 1.174 254 R HN 0.907 nan 8.270 nan 0.000 0.455 255 N N 3.128 121.848 118.700 0.033 0.000 2.439 255 N HA 0.030 4.770 4.740 -0.000 0.000 0.243 255 N C -0.613 174.932 175.510 0.057 0.000 1.088 255 N CA -0.060 53.015 53.050 0.042 0.000 0.940 255 N CB 1.035 39.539 38.487 0.029 0.000 1.180 255 N HN 0.520 nan 8.380 nan 0.000 0.505 256 D N 0.256 120.709 120.400 0.088 0.000 2.328 256 D HA -0.020 4.620 4.640 -0.000 0.000 0.226 256 D C 0.489 176.833 176.300 0.073 0.000 1.066 256 D CA 0.249 54.312 54.000 0.105 0.000 0.861 256 D CB 0.117 41.037 40.800 0.200 0.000 0.912 256 D HN 0.587 nan 8.370 nan 0.000 0.521 257 S N -0.649 115.086 115.700 0.058 0.000 2.707 257 S HA 0.538 5.008 4.470 -0.000 0.000 0.276 257 S C 1.278 175.896 174.600 0.030 0.000 1.179 257 S CA -0.277 57.948 58.200 0.041 0.000 0.992 257 S CB 2.035 65.258 63.200 0.040 0.000 1.030 257 S HN -0.036 nan 8.310 nan 0.000 0.554 258 A N 0.752 123.585 122.820 0.023 0.000 2.206 258 A HA 0.258 4.578 4.320 -0.000 0.000 0.211 258 A C 0.271 177.864 177.584 0.015 0.000 1.158 258 A CA 0.105 52.152 52.037 0.017 0.000 0.761 258 A CB -1.026 17.983 19.000 0.014 0.000 0.801 258 A HN 0.842 nan 8.150 nan 0.000 0.473 259 N N -1.245 117.465 118.700 0.017 0.000 2.240 259 N HA 0.571 5.311 4.740 -0.000 0.000 0.302 259 N C -0.488 175.031 175.510 0.015 0.000 1.106 259 N CA -0.120 52.938 53.050 0.014 0.000 0.778 259 N CB 1.527 40.023 38.487 0.014 0.000 1.431 259 N HN 0.183 nan 8.380 nan 0.000 0.479 260 A N 0.656 123.482 122.820 0.011 0.000 2.540 260 A HA 0.415 4.735 4.320 -0.000 0.000 0.239 260 A C 0.309 177.899 177.584 0.010 0.000 1.061 260 A CA -0.065 51.978 52.037 0.009 0.000 0.758 260 A CB -0.397 18.606 19.000 0.006 0.000 0.991 260 A HN 0.585 nan 8.150 nan 0.000 0.502 261 V N 0.183 120.103 119.914 0.010 0.000 3.158 261 V HA 0.733 4.853 4.120 -0.000 0.000 0.311 261 V C -0.521 175.576 176.094 0.005 0.000 1.181 261 V CA -0.884 61.422 62.300 0.010 0.000 1.054 261 V CB 1.716 33.548 31.823 0.016 0.000 1.085 261 V HN 0.924 nan 8.190 nan 0.000 0.446 262 Q N 0.520 120.323 119.800 0.005 0.000 2.331 262 Q HA 0.586 4.925 4.340 -0.000 0.000 0.267 262 Q C -1.213 174.790 176.000 0.004 0.000 1.006 262 Q CA -0.303 55.501 55.803 0.000 0.000 0.818 262 Q CB 2.082 30.820 28.738 -0.001 0.000 1.276 262 Q HN 1.048 nan 8.270 nan 0.000 0.450 263 T N 1.790 116.343 114.554 -0.001 0.000 2.841 263 T HA 0.479 4.829 4.350 -0.000 0.000 0.283 263 T C -0.959 173.742 174.700 0.000 0.000 1.000 263 T CA -0.224 61.879 62.100 0.005 0.000 0.977 263 T CB 1.351 70.225 68.868 0.010 0.000 0.979 263 T HN 0.480 nan 8.240 nan 0.000 0.446 264 T N 4.100 118.663 114.554 0.015 0.000 2.756 264 T HA 0.467 4.817 4.350 -0.000 0.000 0.290 264 T C -0.321 174.411 174.700 0.052 0.000 0.985 264 T CA -0.447 61.666 62.100 0.023 0.000 0.955 264 T CB 0.765 69.650 68.868 0.028 0.000 0.930 264 T HN 0.480 nan 8.240 nan 0.000 0.451 265 V N 3.278 123.237 119.914 0.074 0.000 2.334 265 V HA 0.775 4.895 4.120 -0.000 0.000 0.267 265 V C 0.286 176.551 176.094 0.286 0.000 1.040 265 V CA -0.621 61.783 62.300 0.173 0.000 0.866 265 V CB 0.263 32.224 31.823 0.230 0.000 1.019 265 V HN 1.056 nan 8.190 nan 0.000 0.468 266 A N 3.606 126.538 122.820 0.187 0.000 2.556 266 A HA 1.073 5.393 4.320 -0.000 0.000 0.294 266 A C 0.120 177.736 177.584 0.054 0.000 1.091 266 A CA 0.015 52.141 52.037 0.149 0.000 0.704 266 A CB 2.190 21.254 19.000 0.106 0.000 1.300 266 A HN 1.469 nan 8.150 nan 0.000 0.406 267 G N -0.707 108.095 108.800 0.004 0.000 2.513 267 G HA2 0.601 4.561 3.960 -0.000 0.000 0.182 267 G HA3 0.601 4.561 3.960 -0.000 0.000 0.182 267 G C -0.460 174.409 174.900 -0.052 0.000 1.190 267 G CA 0.606 45.693 45.100 -0.022 0.000 0.987 267 G HN 1.928 nan 8.290 nan 0.000 0.479 268 T N -2.529 111.993 114.554 -0.054 0.000 2.907 268 T HA 0.742 5.092 4.350 -0.000 0.000 0.292 268 T C -1.282 173.384 174.700 -0.056 0.000 1.043 268 T CA -0.607 61.467 62.100 -0.043 0.000 1.003 268 T CB 2.083 70.954 68.868 0.006 0.000 1.084 268 T HN 1.703 nan 8.240 nan 0.000 0.483 269 V N 1.983 121.866 119.914 -0.053 0.000 2.525 269 V HA 0.612 4.732 4.120 -0.000 0.000 0.299 269 V C 0.539 176.668 176.094 0.059 0.000 1.034 269 V CA 0.288 62.591 62.300 0.004 0.000 0.863 269 V CB 0.429 32.169 31.823 -0.139 0.000 0.999 269 V HN 2.049 nan 8.190 nan 0.000 0.423 270 A N 4.763 127.687 122.820 0.173 0.000 2.826 270 A HA -0.003 4.317 4.320 -0.000 0.000 0.274 270 A C 1.908 179.560 177.584 0.113 0.000 1.443 270 A CA 1.744 53.846 52.037 0.107 0.000 0.833 270 A CB -1.821 16.998 19.000 -0.302 0.000 1.023 270 A HN 2.871 nan 8.150 nan 0.000 0.600 271 G N -2.352 106.511 108.800 0.104 0.000 2.176 271 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.253 271 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.253 271 G C 0.035 174.958 174.900 0.038 0.000 0.979 271 G CA 1.017 46.163 45.100 0.077 0.000 0.641 271 G HN 1.157 nan 8.290 nan 0.000 0.530 272 K N 1.743 122.151 120.400 0.013 0.000 2.185 272 K HA 0.505 4.825 4.320 -0.000 0.000 0.269 272 K C -2.367 174.224 176.600 -0.014 0.000 0.987 272 K CA -1.962 54.324 56.287 -0.002 0.000 0.865 272 K CB 2.201 34.690 32.500 -0.018 0.000 1.090 272 K HN 0.063 nan 8.250 nan 0.000 0.450 273 P HA 0.162 nan 4.420 nan 0.000 0.275 273 P C -0.669 176.629 177.300 -0.004 0.000 1.227 273 P CA -0.186 62.912 63.100 -0.002 0.000 0.781 273 P CB 0.503 32.212 31.700 0.016 0.000 0.906 274 I N -1.915 118.647 120.570 -0.014 0.000 2.769 274 I HA 0.771 4.941 4.170 -0.000 0.000 0.298 274 I C -0.956 175.268 176.117 0.178 0.000 1.128 274 I CA -0.967 60.353 61.300 0.034 0.000 1.031 274 I CB 2.540 40.394 38.000 -0.245 0.000 1.235 274 I HN 0.248 nan 8.210 nan 0.000 0.423 275 S N 3.182 119.098 115.700 0.361 0.000 2.584 275 S HA 0.450 4.920 4.470 -0.000 0.000 0.280 275 S C -1.495 173.204 174.600 0.166 0.000 1.162 275 S CA -0.521 57.862 58.200 0.304 0.000 0.951 275 S CB 1.593 64.874 63.200 0.135 0.000 1.108 275 S HN 0.715 nan 8.310 nan 0.000 0.464 276 Q N 1.975 121.775 119.800 -0.000 0.000 2.423 276 Q HA 0.558 4.898 4.340 -0.000 0.000 0.278 276 Q C -1.162 174.762 176.000 -0.127 0.000 1.097 276 Q CA -0.700 54.968 55.803 -0.226 0.000 0.809 276 Q CB 2.326 30.680 28.738 -0.640 0.000 1.391 276 Q HN 0.676 nan 8.270 nan 0.000 0.428 277 T N 1.122 115.612 114.554 -0.106 0.000 2.812 277 T HA 0.605 4.955 4.350 -0.000 0.000 0.282 277 T C -0.319 174.338 174.700 -0.072 0.000 0.990 277 T CA -0.581 61.481 62.100 -0.064 0.000 0.960 277 T CB 1.169 70.017 68.868 -0.033 0.000 0.948 277 T HN 0.440 nan 8.240 nan 0.000 0.438 278 V N 0.407 120.285 119.914 -0.060 0.000 2.962 278 V HA 0.852 4.972 4.120 -0.000 0.000 0.313 278 V C -0.289 175.786 176.094 -0.031 0.000 1.099 278 V CA -0.902 61.366 62.300 -0.054 0.000 0.971 278 V CB 2.221 34.004 31.823 -0.067 0.000 1.028 278 V HN 0.722 nan 8.190 nan 0.000 0.430 279 S N 3.207 118.892 115.700 -0.026 0.000 2.525 279 S HA 0.786 5.256 4.470 -0.000 0.000 0.278 279 S C -0.491 174.101 174.600 -0.013 0.000 1.234 279 S CA -0.500 57.690 58.200 -0.016 0.000 1.058 279 S CB 0.758 63.950 63.200 -0.014 0.000 0.983 279 S HN 0.660 nan 8.310 nan 0.000 0.495 280 L N 2.673 123.893 121.223 -0.006 0.000 2.376 280 L HA 0.580 4.920 4.340 -0.000 0.000 0.275 280 L C 0.382 177.253 176.870 0.002 0.000 0.987 280 L CA -0.841 53.998 54.840 -0.002 0.000 0.828 280 L CB 1.525 43.586 42.059 0.003 0.000 1.249 280 L HN 0.711 nan 8.230 nan 0.000 0.409 281 A N 2.585 125.405 122.820 0.001 0.000 2.429 281 A HA 0.597 4.917 4.320 -0.000 0.000 0.242 281 A C 0.652 178.241 177.584 0.008 0.000 1.088 281 A CA 0.086 52.125 52.037 0.004 0.000 0.784 281 A CB 0.365 19.365 19.000 0.001 0.000 1.038 281 A HN 0.837 nan 8.150 nan 0.000 0.501 282 A N 1.084 123.910 122.820 0.010 0.000 2.566 282 A HA 0.416 4.736 4.320 -0.000 0.000 0.245 282 A C 0.976 178.569 177.584 0.015 0.000 1.056 282 A CA 0.599 52.645 52.037 0.014 0.000 0.757 282 A CB -0.204 18.804 19.000 0.013 0.000 0.979 282 A HN 1.097 nan 8.150 nan 0.000 0.508 283 K N -0.255 120.158 120.400 0.022 0.000 3.500 283 K HA -0.171 4.149 4.320 -0.000 0.000 0.313 283 K C 0.071 176.682 176.600 0.018 0.000 1.338 283 K CA 1.685 57.986 56.287 0.024 0.000 0.963 283 K CB -1.713 30.798 32.500 0.019 0.000 1.267 283 K HN 1.003 nan 8.250 nan 0.000 0.448 284 E N 0.930 121.139 120.200 0.014 0.000 2.301 284 E HA 0.304 4.654 4.350 -0.000 0.000 0.275 284 E C -0.330 176.275 176.600 0.009 0.000 1.030 284 E CA -0.508 55.896 56.400 0.007 0.000 0.852 284 E CB 0.852 30.553 29.700 0.002 0.000 1.060 284 E HN 0.185 nan 8.360 nan 0.000 0.401 285 R N 3.296 123.798 120.500 0.004 0.000 2.494 285 R HA 0.346 4.686 4.340 -0.000 0.000 0.305 285 R C -1.005 175.294 176.300 -0.001 0.000 0.959 285 R CA -0.581 55.521 56.100 0.004 0.000 0.864 285 R CB 0.941 31.243 30.300 0.003 0.000 1.159 285 R HN 0.391 nan 8.270 nan 0.000 0.446 286 K N 1.900 122.299 120.400 -0.002 0.000 2.318 286 K HA 0.322 4.642 4.320 -0.000 0.000 0.249 286 K C -1.049 175.551 176.600 -0.000 0.000 0.942 286 K CA -0.872 55.410 56.287 -0.008 0.000 0.808 286 K CB 2.494 34.981 32.500 -0.020 0.000 1.189 286 K HN 0.490 nan 8.250 nan 0.000 0.428 287 T N 1.841 116.396 114.554 0.002 0.000 2.728 287 T HA 0.178 4.527 4.350 -0.000 0.000 0.296 287 T C -0.130 174.555 174.700 -0.025 0.000 0.940 287 T CA -0.530 61.577 62.100 0.012 0.000 1.013 287 T CB 0.593 69.481 68.868 0.034 0.000 0.912 287 T HN 0.138 nan 8.240 nan 0.000 0.484 288 V N 4.888 124.778 119.914 -0.041 0.000 2.406 288 V HA 0.281 4.401 4.120 -0.000 0.000 0.272 288 V C 0.623 176.657 176.094 -0.101 0.000 1.043 288 V CA -0.493 61.727 62.300 -0.133 0.000 0.915 288 V CB 1.121 32.817 31.823 -0.212 0.000 0.988 288 V HN 0.915 nan 8.190 nan 0.000 0.466 289 T N 6.376 120.852 114.554 -0.128 0.000 2.756 289 T HA 0.533 4.883 4.350 -0.000 0.000 0.290 289 T C -0.268 174.369 174.700 -0.105 0.000 0.985 289 T CA -0.088 61.980 62.100 -0.054 0.000 0.955 289 T CB 0.224 69.069 68.868 -0.038 0.000 0.930 289 T HN 0.277 nan 8.240 nan 0.000 0.451 290 F N 3.683 123.583 119.950 -0.083 0.000 2.410 290 F HA 0.347 4.874 4.527 -0.000 0.000 0.334 290 F C -1.555 174.208 175.800 -0.062 0.000 1.134 290 F CA -2.183 55.776 58.000 -0.069 0.000 1.227 290 F CB 0.185 39.137 39.000 -0.079 0.000 1.194 290 F HN 0.341 nan 8.300 nan 0.000 0.571 291 P HA 0.012 nan 4.420 nan 0.000 0.268 291 P C -0.594 176.741 177.300 0.058 0.000 1.205 291 P CA -0.359 62.776 63.100 0.058 0.000 0.771 291 P CB 0.457 32.184 31.700 0.045 0.000 0.858 292 L N 3.969 125.207 121.223 0.025 0.000 2.628 292 L HA -0.036 4.304 4.340 -0.000 0.000 0.292 292 L C -0.592 176.281 176.870 0.005 0.000 1.250 292 L CA 0.841 55.685 54.840 0.007 0.000 0.892 292 L CB 0.107 42.172 42.059 0.009 0.000 1.138 292 L HN 0.081 nan 8.230 nan 0.000 0.502 293 V N 5.597 125.495 119.914 -0.026 0.000 2.409 293 V HA 0.569 4.689 4.120 -0.000 0.000 0.291 293 V C 0.703 176.772 176.094 -0.042 0.000 1.020 293 V CA -0.216 62.063 62.300 -0.035 0.000 0.848 293 V CB 1.140 32.920 31.823 -0.073 0.000 0.990 293 V HN 0.977 nan 8.190 nan 0.000 0.430 294 G N 4.007 112.810 108.800 0.006 0.000 2.395 294 G HA2 0.555 4.515 3.960 -0.000 0.000 0.283 294 G HA3 0.555 4.515 3.960 -0.000 0.000 0.283 294 G C -1.193 173.674 174.900 -0.054 0.000 1.178 294 G CA -0.283 44.838 45.100 0.035 0.000 0.837 294 G HN 0.505 nan 8.290 nan 0.000 0.518 295 L N 2.221 123.303 121.223 -0.235 0.000 2.406 295 L HA 0.397 4.736 4.340 -0.000 0.000 0.270 295 L C -0.939 175.849 176.870 -0.136 0.000 0.982 295 L CA -0.806 53.930 54.840 -0.173 0.000 0.843 295 L CB 1.787 43.711 42.059 -0.225 0.000 1.225 295 L HN 0.402 nan 8.230 nan 0.000 0.412 296 D N 5.128 125.555 120.400 0.045 0.000 2.302 296 D HA 0.275 4.915 4.640 -0.000 0.000 0.248 296 D C 0.136 176.481 176.300 0.076 0.000 1.094 296 D CA -0.195 53.876 54.000 0.118 0.000 0.897 296 D CB 0.960 41.839 40.800 0.133 0.000 1.200 296 D HN 0.404 nan 8.370 nan 0.000 0.429 297 R N 0.338 120.892 120.500 0.090 0.000 3.109 297 R HA -0.133 4.207 4.340 -0.000 0.000 0.241 297 R C -2.049 174.305 176.300 0.090 0.000 0.882 297 R CA -0.043 56.108 56.100 0.085 0.000 0.604 297 R CB -1.778 28.567 30.300 0.074 0.000 1.040 297 R HN 0.392 nan 8.270 nan 0.000 0.480 298 P HA -0.050 nan 4.420 nan 0.000 0.269 298 P C -0.367 177.047 177.300 0.191 0.000 1.209 298 P CA 0.085 63.290 63.100 0.174 0.000 0.776 298 P CB 0.469 32.247 31.700 0.130 0.000 0.876 299 N N 1.052 119.867 118.700 0.193 0.000 2.421 299 N HA 0.124 4.864 4.740 -0.000 0.000 0.260 299 N C -0.190 175.430 175.510 0.182 0.000 1.173 299 N CA -0.372 52.691 53.050 0.021 0.000 0.960 299 N CB 0.303 38.511 38.487 -0.465 0.000 1.273 299 N HN 0.199 nan 8.380 nan 0.000 0.497 300 V N 2.772 122.801 119.914 0.193 0.000 2.572 300 V HA -0.029 4.091 4.120 -0.000 0.000 0.291 300 V C 0.239 176.389 176.094 0.094 0.000 1.039 300 V CA -0.430 61.935 62.300 0.108 0.000 1.055 300 V CB 0.368 32.185 31.823 -0.009 0.000 0.969 300 V HN 0.581 nan 8.190 nan 0.000 0.482 301 W N 5.839 127.067 121.300 -0.120 0.000 2.287 301 W HA 0.488 5.148 4.660 -0.000 0.000 0.313 301 W C -0.858 175.498 176.519 -0.271 0.000 1.267 301 W CA -0.506 56.794 57.345 -0.075 0.000 1.201 301 W CB 0.588 30.018 29.460 -0.051 0.000 1.196 301 W HN 0.534 nan 8.180 nan 0.000 0.536 302 W N 7.353 128.285 121.300 -0.613 0.000 2.781 302 W HA 0.415 5.075 4.660 -0.000 0.000 0.345 302 W C -1.839 174.000 176.519 -1.133 0.000 1.085 302 W CA -2.273 54.725 57.345 -0.578 0.000 1.198 302 W CB 0.661 29.938 29.460 -0.306 0.000 1.423 302 W HN 0.182 nan 8.180 nan 0.000 0.532 303 P HA 0.071 nan 4.420 nan 0.000 0.269 303 P C -0.391 176.786 177.300 -0.205 0.000 1.217 303 P CA -0.072 62.873 63.100 -0.259 0.000 0.783 303 P CB 0.346 32.068 31.700 0.037 0.000 0.898 304 A N 1.920 124.646 122.820 -0.157 0.000 2.567 304 A HA 0.372 4.692 4.320 -0.000 0.000 0.240 304 A C 1.554 179.083 177.584 -0.091 0.000 1.053 304 A CA 0.957 52.923 52.037 -0.118 0.000 0.755 304 A CB -1.612 17.343 19.000 -0.074 0.000 0.978 304 A HN 0.882 nan 8.150 nan 0.000 0.507 305 G N 1.404 110.141 108.800 -0.104 0.000 2.195 305 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.246 305 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.246 305 G C 0.650 175.467 174.900 -0.138 0.000 0.984 305 G CA 0.773 45.812 45.100 -0.101 0.000 0.633 305 G HN 0.720 nan 8.290 nan 0.000 0.525 306 M N 0.176 119.678 119.600 -0.163 0.000 2.337 306 M HA 0.478 4.957 4.480 -0.000 0.000 0.256 306 M C 1.170 177.091 176.300 -0.632 0.000 1.075 306 M CA 1.129 56.250 55.300 -0.299 0.000 1.024 306 M CB 1.134 33.669 32.600 -0.109 0.000 1.429 306 M HN 0.951 nan 8.290 nan 0.000 0.497 307 G N -0.540 108.018 108.800 -0.404 0.000 2.351 307 G HA2 0.330 4.290 3.960 -0.000 0.000 0.279 307 G HA3 0.330 4.290 3.960 -0.000 0.000 0.279 307 G C -0.984 173.840 174.900 -0.128 0.000 1.297 307 G CA -0.600 44.256 45.100 -0.406 0.000 0.886 307 G HN 0.221 nan 8.290 nan 0.000 0.493 308 G N -1.554 107.246 108.800 0.001 0.000 2.588 308 G HA2 0.498 4.458 3.960 -0.000 0.000 0.281 308 G HA3 0.498 4.458 3.960 -0.000 0.000 0.281 308 G C -0.119 174.716 174.900 -0.109 0.000 1.236 308 G CA -0.035 45.054 45.100 -0.018 0.000 0.969 308 G HN 0.544 nan 8.290 nan 0.000 0.504 309 Q N -1.069 118.658 119.800 -0.122 0.000 2.158 309 Q HA 0.182 4.522 4.340 -0.000 0.000 0.306 309 Q C -0.371 175.731 176.000 0.171 0.000 0.878 309 Q CA -0.391 55.275 55.803 -0.229 0.000 1.136 309 Q CB 0.463 29.115 28.738 -0.143 0.000 1.253 309 Q HN 0.737 nan 8.270 nan 0.000 0.441 310 H N 0.175 119.286 119.070 0.069 0.000 2.764 310 H HA 0.396 4.952 4.556 -0.000 0.000 0.341 310 H C -0.500 174.829 175.328 0.000 0.000 1.072 310 H CA 0.260 56.296 56.048 -0.020 0.000 1.444 310 H CB 0.558 30.227 29.762 -0.156 0.000 1.458 310 H HN 0.017 nan 8.280 nan 0.000 0.572 311 R N 3.681 123.703 120.500 -0.796 0.000 2.670 311 R HA 0.286 4.626 4.340 -0.000 0.000 0.289 311 R C -1.078 174.529 176.300 -1.154 0.000 0.965 311 R CA -0.734 54.927 56.100 -0.731 0.000 0.899 311 R CB 1.325 31.407 30.300 -0.363 0.000 1.173 311 R HN 0.548 nan 8.270 nan 0.000 0.456 312 Y N 0.226 119.966 120.300 -0.933 0.000 2.334 312 Y HA 0.203 4.753 4.550 -0.000 0.000 0.325 312 Y C 0.471 176.025 175.900 -0.576 0.000 1.308 312 Y CA -0.058 57.601 58.100 -0.736 0.000 1.389 312 Y CB 0.929 38.872 38.460 -0.861 0.000 1.328 312 Y HN 0.368 nan 8.280 nan 0.000 0.532 313 D N 1.320 121.699 120.400 -0.035 0.000 2.163 313 D HA 0.309 4.948 4.640 -0.000 0.000 0.248 313 D C -1.299 175.134 176.300 0.222 0.000 1.035 313 D CA -0.455 53.581 54.000 0.060 0.000 0.872 313 D CB 2.232 43.058 40.800 0.043 0.000 1.183 313 D HN 0.229 nan 8.370 nan 0.000 0.445 314 L N 2.196 123.546 121.223 0.211 0.000 2.305 314 L HA 0.402 4.742 4.340 -0.000 0.000 0.284 314 L C -1.133 175.763 176.870 0.043 0.000 1.013 314 L CA -0.332 54.580 54.840 0.121 0.000 0.819 314 L CB 1.406 43.511 42.059 0.075 0.000 1.227 314 L HN 0.126 nan 8.230 nan 0.000 0.417 315 D N 5.344 125.749 120.400 0.007 0.000 2.620 315 D HA 0.498 5.138 4.640 -0.000 0.000 0.252 315 D C -1.602 174.685 176.300 -0.021 0.000 1.207 315 D CA -0.074 53.929 54.000 0.005 0.000 0.884 315 D CB 1.010 41.821 40.800 0.018 0.000 1.262 315 D HN 0.546 nan 8.370 nan 0.000 0.552 316 L N 2.490 123.707 121.223 -0.010 0.000 2.401 316 L HA 0.575 4.915 4.340 -0.000 0.000 0.266 316 L C -0.428 176.456 176.870 0.024 0.000 0.991 316 L CA -0.706 54.130 54.840 -0.006 0.000 0.818 316 L CB 2.596 44.646 42.059 -0.015 0.000 1.321 316 L HN 0.304 nan 8.230 nan 0.000 0.413 317 T N 1.567 116.144 114.554 0.039 0.000 2.861 317 T HA 0.631 4.981 4.350 -0.000 0.000 0.287 317 T C -0.385 174.351 174.700 0.060 0.000 1.003 317 T CA -0.487 61.640 62.100 0.045 0.000 0.977 317 T CB 1.927 70.819 68.868 0.040 0.000 0.996 317 T HN 0.611 nan 8.240 nan 0.000 0.448 318 A N 2.556 125.407 122.820 0.052 0.000 2.274 318 A HA 0.736 5.056 4.320 -0.000 0.000 0.309 318 A C 0.109 177.718 177.584 0.042 0.000 1.226 318 A CA -0.535 51.532 52.037 0.051 0.000 0.853 318 A CB 0.472 19.497 19.000 0.043 0.000 1.146 318 A HN 0.693 nan 8.150 nan 0.000 0.518 319 S N 0.647 116.371 115.700 0.040 0.000 2.537 319 S HA 0.692 5.161 4.470 -0.000 0.000 0.301 319 S C -0.527 174.091 174.600 0.029 0.000 1.092 319 S CA -0.506 57.715 58.200 0.035 0.000 1.048 319 S CB 1.664 64.885 63.200 0.034 0.000 1.053 319 S HN 0.634 nan 8.310 nan 0.000 0.501 320 V N 1.200 121.131 119.914 0.029 0.000 2.709 320 V HA 0.676 4.796 4.120 -0.000 0.000 0.308 320 V C 0.877 176.985 176.094 0.024 0.000 1.062 320 V CA -0.319 61.996 62.300 0.025 0.000 0.901 320 V CB 1.183 33.022 31.823 0.027 0.000 1.003 320 V HN 1.207 nan 8.190 nan 0.000 0.425 321 G N 2.762 111.574 108.800 0.020 0.000 2.269 321 G HA2 0.037 3.997 3.960 -0.000 0.000 0.277 321 G HA3 0.037 3.997 3.960 -0.000 0.000 0.277 321 G C 1.209 176.121 174.900 0.020 0.000 1.008 321 G CA 1.107 46.218 45.100 0.019 0.000 0.774 321 G HN 2.456 nan 8.290 nan 0.000 0.511 322 G N -2.539 106.274 108.800 0.021 0.000 2.176 322 G HA2 0.167 4.127 3.960 -0.000 0.000 0.232 322 G HA3 0.167 4.127 3.960 -0.000 0.000 0.232 322 G C 0.667 175.581 174.900 0.024 0.000 0.986 322 G CA 1.365 46.478 45.100 0.022 0.000 0.643 322 G HN 2.665 nan 8.290 nan 0.000 0.522 323 T N -1.310 113.260 114.554 0.026 0.000 2.908 323 T HA 0.721 5.071 4.350 -0.000 0.000 0.290 323 T C -3.204 171.515 174.700 0.032 0.000 1.034 323 T CA -1.833 60.284 62.100 0.028 0.000 1.010 323 T CB 3.220 72.105 68.868 0.028 0.000 1.068 323 T HN -0.005 nan 8.240 nan 0.000 0.481 324 P HA 0.230 nan 4.420 nan 0.000 0.267 324 P C 0.395 177.719 177.300 0.039 0.000 1.205 324 P CA -0.141 62.980 63.100 0.036 0.000 0.765 324 P CB 1.038 32.760 31.700 0.036 0.000 0.828 325 S N 1.814 117.538 115.700 0.040 0.000 2.412 325 S HA 0.041 4.511 4.470 -0.000 0.000 0.223 325 S C 0.442 175.069 174.600 0.045 0.000 1.048 325 S CA 0.812 59.040 58.200 0.045 0.000 0.954 325 S CB -0.074 63.152 63.200 0.044 0.000 0.840 325 S HN 0.519 nan 8.310 nan 0.000 0.503 326 D N -1.116 119.305 120.400 0.036 0.000 2.583 326 D HA 0.732 5.372 4.640 -0.000 0.000 0.248 326 D C -1.416 174.902 176.300 0.030 0.000 1.209 326 D CA -0.048 53.968 54.000 0.028 0.000 0.848 326 D CB 2.099 42.903 40.800 0.007 0.000 1.431 326 D HN 0.370 nan 8.370 nan 0.000 0.436 327 A N 0.082 122.919 122.820 0.028 0.000 2.606 327 A HA 0.902 5.222 4.320 -0.000 0.000 0.293 327 A C -1.718 175.883 177.584 0.027 0.000 1.082 327 A CA -0.094 51.961 52.037 0.030 0.000 0.685 327 A CB 1.724 20.743 19.000 0.033 0.000 1.284 327 A HN 0.853 nan 8.150 nan 0.000 0.408 328 A N 1.175 124.011 122.820 0.027 0.000 2.488 328 A HA 0.695 5.015 4.320 -0.000 0.000 0.295 328 A C -1.101 176.498 177.584 0.025 0.000 1.045 328 A CA -0.586 51.468 52.037 0.027 0.000 0.703 328 A CB 1.152 20.167 19.000 0.025 0.000 1.271 328 A HN 0.662 nan 8.150 nan 0.000 0.400 329 K N 1.378 121.797 120.400 0.031 0.000 2.221 329 K HA 0.757 5.077 4.320 -0.000 0.000 0.258 329 K C -0.287 176.334 176.600 0.035 0.000 0.944 329 K CA -0.396 55.910 56.287 0.032 0.000 0.823 329 K CB 2.013 34.533 32.500 0.033 0.000 1.113 329 K HN 0.904 nan 8.250 nan 0.000 0.431 330 S N 1.693 117.418 115.700 0.041 0.000 2.671 330 S HA 0.546 5.016 4.470 -0.000 0.000 0.277 330 S C -1.040 173.593 174.600 0.054 0.000 1.165 330 S CA -1.119 57.103 58.200 0.038 0.000 0.822 330 S CB 1.801 65.019 63.200 0.030 0.000 1.150 330 S HN 0.471 nan 8.310 nan 0.000 0.479 331 K N 0.032 120.441 120.400 0.015 0.000 2.295 331 K HA 0.790 5.110 4.320 -0.000 0.000 0.239 331 K C -1.426 175.198 176.600 0.040 0.000 0.991 331 K CA -0.732 55.542 56.287 -0.022 0.000 0.845 331 K CB 1.599 34.038 32.500 -0.101 0.000 1.197 331 K HN 0.711 nan 8.250 nan 0.000 0.441 332 F N -2.326 117.565 119.950 -0.100 0.000 2.654 332 F HA 0.626 5.153 4.527 -0.000 0.000 0.308 332 F C -0.482 175.276 175.800 -0.071 0.000 1.108 332 F CA -1.131 56.799 58.000 -0.117 0.000 0.957 332 F CB 1.150 40.098 39.000 -0.086 0.000 1.309 332 F HN 0.502 nan 8.300 nan 0.000 0.446 333 G N 0.991 109.736 108.800 -0.091 0.000 2.410 333 G HA2 0.558 4.518 3.960 -0.000 0.000 0.330 333 G HA3 0.558 4.518 3.960 -0.000 0.000 0.330 333 G C -1.631 173.344 174.900 0.125 0.000 1.142 333 G CA -1.068 43.981 45.100 -0.084 0.000 0.902 333 G HN 0.684 nan 8.290 nan 0.000 0.491 334 V N 2.726 122.764 119.914 0.208 0.000 2.334 334 V HA 0.578 4.698 4.120 -0.000 0.000 0.267 334 V C 0.418 176.570 176.094 0.096 0.000 1.040 334 V CA -0.386 62.030 62.300 0.193 0.000 0.866 334 V CB 0.248 32.224 31.823 0.255 0.000 1.019 334 V HN 0.807 nan 8.190 nan 0.000 0.468 335 R N 3.459 123.974 120.500 0.025 0.000 2.579 335 R HA 0.362 4.702 4.340 -0.000 0.000 0.260 335 R C -2.072 174.203 176.300 -0.042 0.000 1.103 335 R CA -0.575 55.515 56.100 -0.017 0.000 0.942 335 R CB 2.406 32.721 30.300 0.026 0.000 1.251 335 R HN 0.706 nan 8.270 nan 0.000 0.450 336 D N 2.359 122.724 120.400 -0.059 0.000 2.192 336 D HA 0.422 5.062 4.640 -0.000 0.000 0.246 336 D C -1.258 175.040 176.300 -0.004 0.000 1.042 336 D CA -0.462 53.517 54.000 -0.035 0.000 0.847 336 D CB 2.011 42.795 40.800 -0.027 0.000 1.186 336 D HN 0.321 nan 8.370 nan 0.000 0.461 337 V N 3.024 122.939 119.914 0.003 0.000 2.656 337 V HA 0.626 4.746 4.120 -0.000 0.000 0.307 337 V C -1.429 174.684 176.094 0.031 0.000 1.051 337 V CA -0.485 61.845 62.300 0.051 0.000 0.893 337 V CB 1.500 33.379 31.823 0.093 0.000 0.999 337 V HN 0.581 nan 8.190 nan 0.000 0.426 338 K N 4.532 124.963 120.400 0.052 0.000 2.385 338 K HA 0.894 5.214 4.320 -0.000 0.000 0.248 338 K C -1.061 175.505 176.600 -0.057 0.000 0.955 338 K CA -0.531 55.755 56.287 -0.002 0.000 0.816 338 K CB 2.434 34.935 32.500 0.002 0.000 1.250 338 K HN 0.934 nan 8.250 nan 0.000 0.434 339 A N 1.610 124.315 122.820 -0.193 0.000 2.605 339 A HA 0.443 4.763 4.320 -0.000 0.000 0.293 339 A C -0.555 176.864 177.584 -0.274 0.000 1.216 339 A CA -0.603 51.159 52.037 -0.458 0.000 0.742 339 A CB 0.517 18.962 19.000 -0.924 0.000 1.170 339 A HN 0.682 nan 8.150 nan 0.000 0.443 340 T N -0.313 114.141 114.554 -0.167 0.000 2.926 340 T HA 0.763 5.113 4.350 -0.000 0.000 0.289 340 T C -0.253 174.415 174.700 -0.054 0.000 1.054 340 T CA -0.836 61.209 62.100 -0.091 0.000 1.015 340 T CB 0.958 69.801 68.868 -0.042 0.000 1.167 340 T HN 0.381 nan 8.240 nan 0.000 0.526 341 L N 3.055 124.261 121.223 -0.028 0.000 2.290 341 L HA 0.390 4.730 4.340 -0.000 0.000 0.284 341 L C 0.699 177.583 176.870 0.023 0.000 1.078 341 L CA -1.031 53.812 54.840 0.005 0.000 0.815 341 L CB 0.394 42.456 42.059 0.005 0.000 1.162 341 L HN 0.802 nan 8.230 nan 0.000 0.435 342 N N 0.642 119.371 118.700 0.047 0.000 2.364 342 N HA 0.030 4.770 4.740 -0.000 0.000 0.264 342 N C 0.949 176.481 175.510 0.036 0.000 1.263 342 N CA -0.180 52.897 53.050 0.046 0.000 0.959 342 N CB 0.278 38.803 38.487 0.064 0.000 1.204 342 N HN 0.548 nan 8.380 nan 0.000 0.550 343 S N -1.686 114.030 115.700 0.027 0.000 2.465 343 S HA -0.146 4.324 4.470 -0.000 0.000 0.241 343 S C 1.118 175.731 174.600 0.021 0.000 1.000 343 S CA 1.004 59.215 58.200 0.018 0.000 0.964 343 S CB -0.691 62.515 63.200 0.010 0.000 0.763 343 S HN 0.539 nan 8.310 nan 0.000 0.512 344 S N 0.231 115.952 115.700 0.036 0.000 2.556 344 S HA 0.488 4.958 4.470 -0.000 0.000 0.216 344 S C 1.407 176.047 174.600 0.066 0.000 0.970 344 S CA 0.233 58.459 58.200 0.043 0.000 0.912 344 S CB 0.280 63.513 63.200 0.056 0.000 0.790 344 S HN 1.028 nan 8.310 nan 0.000 0.504 345 G N 1.315 110.155 108.800 0.066 0.000 2.141 345 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.242 345 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.242 345 G C 0.231 175.194 174.900 0.104 0.000 0.982 345 G CA -0.279 44.866 45.100 0.074 0.000 0.662 345 G HN 0.789 nan 8.290 nan 0.000 0.527 346 G N -0.502 108.374 108.800 0.127 0.000 2.377 346 G HA2 0.587 4.547 3.960 -0.000 0.000 0.299 346 G HA3 0.587 4.547 3.960 -0.000 0.000 0.299 346 G C 0.031 175.015 174.900 0.140 0.000 1.150 346 G CA -0.516 44.684 45.100 0.166 0.000 0.847 346 G HN 0.487 nan 8.290 nan 0.000 0.501 347 R N 0.729 121.319 120.500 0.149 0.000 2.351 347 R HA 0.263 4.602 4.340 -0.000 0.000 0.318 347 R C -0.177 176.235 176.300 0.186 0.000 1.055 347 R CA -0.173 55.964 56.100 0.062 0.000 0.968 347 R CB 0.561 30.817 30.300 -0.073 0.000 0.974 347 R HN 0.462 nan 8.270 nan 0.000 0.439 348 Q N 4.373 124.225 119.800 0.086 0.000 2.357 348 Q HA 0.252 4.592 4.340 -0.000 0.000 0.266 348 Q C -1.630 174.428 176.000 0.097 0.000 1.021 348 Q CA -0.430 55.487 55.803 0.191 0.000 0.784 348 Q CB 0.620 29.457 28.738 0.165 0.000 1.243 348 Q HN 0.606 nan 8.270 nan 0.000 0.465 349 Y N 1.248 121.666 120.300 0.197 0.000 2.301 349 Y HA 0.543 5.093 4.550 -0.000 0.000 0.325 349 Y C 0.433 176.425 175.900 0.153 0.000 1.203 349 Y CA 0.166 58.358 58.100 0.153 0.000 1.255 349 Y CB 1.646 40.210 38.460 0.173 0.000 1.232 349 Y HN 0.687 nan 8.280 nan 0.000 0.501 350 S N 0.607 116.473 115.700 0.277 0.000 2.540 350 S HA 0.789 5.259 4.470 -0.000 0.000 0.275 350 S C -1.585 173.134 174.600 0.198 0.000 1.123 350 S CA -0.955 57.379 58.200 0.223 0.000 0.907 350 S CB 1.452 64.751 63.200 0.165 0.000 1.081 350 S HN 0.313 nan 8.310 nan 0.000 0.476 351 V N 2.321 122.349 119.914 0.190 0.000 2.448 351 V HA 0.497 4.617 4.120 -0.000 0.000 0.295 351 V C 0.162 176.303 176.094 0.078 0.000 1.025 351 V CA -0.819 61.567 62.300 0.143 0.000 0.859 351 V CB 0.574 32.513 31.823 0.193 0.000 0.988 351 V HN 1.141 nan 8.190 nan 0.000 0.431 352 N N 3.624 122.307 118.700 -0.028 0.000 2.740 352 N HA -0.222 4.518 4.740 -0.000 0.000 0.248 352 N C 1.065 176.610 175.510 0.058 0.000 1.062 352 N CA 0.548 53.535 53.050 -0.105 0.000 0.704 352 N CB -0.814 37.353 38.487 -0.534 0.000 0.968 352 N HN 1.449 nan 8.380 nan 0.000 0.547 353 G N -1.096 107.754 108.800 0.084 0.000 2.168 353 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.263 353 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.263 353 G C -0.189 174.801 174.900 0.151 0.000 0.977 353 G CA 0.572 45.739 45.100 0.111 0.000 0.659 353 G HN 0.276 nan 8.290 nan 0.000 0.533 354 K N 1.124 121.639 120.400 0.192 0.000 2.316 354 K HA 0.488 4.808 4.320 -0.000 0.000 0.267 354 K C -2.548 174.181 176.600 0.214 0.000 1.025 354 K CA -2.318 54.100 56.287 0.218 0.000 0.896 354 K CB 2.002 34.676 32.500 0.292 0.000 1.124 354 K HN 0.116 nan 8.250 nan 0.000 0.451 355 P HA 0.238 nan 4.420 nan 0.000 0.271 355 P C -0.639 176.841 177.300 0.299 0.000 1.218 355 P CA -0.620 62.637 63.100 0.261 0.000 0.780 355 P CB 0.605 32.462 31.700 0.261 0.000 0.901 356 L N 2.351 123.741 121.223 0.278 0.000 2.422 356 L HA 0.413 4.753 4.340 -0.000 0.000 0.264 356 L C -0.671 176.139 176.870 -0.100 0.000 0.984 356 L CA -0.929 53.978 54.840 0.112 0.000 0.819 356 L CB 1.631 43.758 42.059 0.112 0.000 1.330 356 L HN 0.237 nan 8.230 nan 0.000 0.410 357 L N 4.444 125.281 121.223 -0.644 0.000 2.361 357 L HA 0.366 4.706 4.340 -0.000 0.000 0.278 357 L C -0.285 176.419 176.870 -0.277 0.000 1.113 357 L CA 0.213 54.624 54.840 -0.716 0.000 0.849 357 L CB 0.170 41.592 42.059 -1.061 0.000 1.155 357 L HN 0.284 nan 8.230 nan 0.000 0.452 358 I N 6.345 126.823 120.570 -0.153 0.000 2.505 358 I HA 0.123 4.293 4.170 -0.000 0.000 0.287 358 I C 0.370 176.384 176.117 -0.170 0.000 1.104 358 I CA 0.442 61.674 61.300 -0.114 0.000 1.387 358 I CB -0.167 37.838 38.000 0.008 0.000 1.404 358 I HN 0.630 nan 8.210 nan 0.000 0.528 359 R N 4.702 125.153 120.500 -0.082 0.000 2.371 359 R HA 0.663 5.003 4.340 -0.000 0.000 0.312 359 R C 0.161 176.496 176.300 0.058 0.000 0.980 359 R CA -0.429 55.681 56.100 0.016 0.000 0.867 359 R CB 1.985 32.289 30.300 0.007 0.000 1.163 359 R HN 0.856 nan 8.270 nan 0.000 0.492 360 G N 0.386 109.262 108.800 0.126 0.000 2.782 360 G HA2 0.724 4.684 3.960 -0.000 0.000 0.304 360 G HA3 0.724 4.684 3.960 -0.000 0.000 0.304 360 G C -1.257 173.749 174.900 0.178 0.000 1.315 360 G CA -0.686 44.481 45.100 0.112 0.000 0.791 360 G HN 0.570 nan 8.290 nan 0.000 0.519 361 G N -1.807 107.075 108.800 0.136 0.000 2.690 361 G HA2 0.637 4.597 3.960 -0.000 0.000 0.293 361 G HA3 0.637 4.597 3.960 -0.000 0.000 0.293 361 G C -0.306 174.630 174.900 0.060 0.000 1.399 361 G CA 0.155 45.332 45.100 0.128 0.000 0.890 361 G HN 1.212 nan 8.290 nan 0.000 0.485 362 G N -0.424 108.329 108.800 -0.079 0.000 2.360 362 G HA2 0.433 4.393 3.960 -0.000 0.000 0.279 362 G HA3 0.433 4.393 3.960 -0.000 0.000 0.279 362 G C -0.595 174.117 174.900 -0.312 0.000 1.189 362 G CA -0.102 44.837 45.100 -0.268 0.000 0.941 362 G HN 0.636 nan 8.290 nan 0.000 0.445 363 Y N 2.476 122.651 120.300 -0.208 0.000 2.299 363 Y HA 0.587 5.137 4.550 -0.000 0.000 0.326 363 Y C 0.463 176.252 175.900 -0.185 0.000 1.164 363 Y CA -0.298 57.712 58.100 -0.151 0.000 1.234 363 Y CB 1.952 40.419 38.460 0.012 0.000 1.219 363 Y HN 0.520 nan 8.280 nan 0.000 0.497 364 T N 8.108 122.122 114.554 -0.900 0.000 2.893 364 T HA 0.541 4.891 4.350 -0.000 0.000 0.293 364 T C -2.898 171.372 174.700 -0.716 0.000 1.027 364 T CA -2.301 59.469 62.100 -0.550 0.000 0.988 364 T CB 1.465 70.198 68.868 -0.225 0.000 1.043 364 T HN 0.541 nan 8.240 nan 0.000 0.461 365 P HA 0.248 nan 4.420 nan 0.000 0.277 365 P C -0.516 176.835 177.300 0.085 0.000 1.276 365 P CA -0.285 62.849 63.100 0.057 0.000 0.788 365 P CB 0.299 32.169 31.700 0.283 0.000 1.114 366 D N -0.945 119.521 120.400 0.110 0.000 2.449 366 D HA -0.083 4.557 4.640 -0.000 0.000 0.236 366 D C 1.264 177.487 176.300 -0.127 0.000 1.149 366 D CA -0.199 53.818 54.000 0.028 0.000 0.878 366 D CB 0.226 41.100 40.800 0.124 0.000 1.198 366 D HN 0.072 nan 8.370 nan 0.000 0.446 367 L N 3.211 124.077 121.223 -0.595 0.000 2.127 367 L HA -0.050 4.290 4.340 -0.000 0.000 0.211 367 L C 0.925 177.296 176.870 -0.831 0.000 1.089 367 L CA 1.667 55.768 54.840 -1.231 0.000 0.757 367 L CB -0.381 40.752 42.059 -1.542 0.000 0.899 367 L HN 0.530 nan 8.230 nan 0.000 0.434 368 F N -1.089 118.913 119.950 0.087 0.000 2.639 368 F HA 0.352 4.879 4.527 -0.000 0.000 0.300 368 F C 0.974 176.883 175.800 0.182 0.000 1.109 368 F CA -0.746 57.337 58.000 0.138 0.000 1.335 368 F CB -0.620 38.428 39.000 0.080 0.000 1.014 368 F HN -0.190 nan 8.300 nan 0.000 0.537 369 L N 0.121 121.513 121.223 0.282 0.000 3.737 369 L HA -0.306 4.034 4.340 -0.000 0.000 0.418 369 L C 0.283 177.335 176.870 0.303 0.000 1.216 369 L CA 0.332 55.357 54.840 0.308 0.000 0.915 369 L CB -1.589 40.641 42.059 0.286 0.000 1.834 369 L HN 0.260 nan 8.230 nan 0.000 0.943 370 R N 0.800 121.470 120.500 0.282 0.000 2.316 370 R HA 0.142 4.482 4.340 -0.000 0.000 0.314 370 R C 0.045 176.524 176.300 0.298 0.000 1.069 370 R CA -0.160 56.097 56.100 0.262 0.000 0.959 370 R CB 0.727 31.147 30.300 0.199 0.000 0.987 370 R HN 0.300 nan 8.270 nan 0.000 0.446 371 W N 5.584 126.968 121.300 0.139 0.000 2.433 371 W HA 0.291 4.951 4.660 -0.000 0.000 0.315 371 W C -1.249 175.345 176.519 0.125 0.000 1.087 371 W CA -0.565 56.865 57.345 0.142 0.000 1.205 371 W CB 1.257 30.803 29.460 0.144 0.000 1.288 371 W HN 0.496 nan 8.180 nan 0.000 0.504 372 N N 4.444 122.598 118.700 -0.909 0.000 2.454 372 N HA -0.011 4.729 4.740 -0.000 0.000 0.291 372 N C 0.309 175.127 175.510 -1.153 0.000 1.079 372 N CA -0.072 52.520 53.050 -0.762 0.000 0.893 372 N CB 1.947 40.252 38.487 -0.303 0.000 1.512 372 N HN 0.715 nan 8.380 nan 0.000 0.497 373 E N 1.851 121.552 120.200 -0.832 0.000 2.072 373 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 373 E C 0.715 177.159 176.600 -0.260 0.000 0.985 373 E CA 1.572 57.702 56.400 -0.451 0.000 0.801 373 E CB 0.318 30.071 29.700 0.087 0.000 0.750 373 E HN 0.638 nan 8.360 nan 0.000 0.452 374 T N 0.637 115.077 114.554 -0.191 0.000 2.684 374 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 374 T C 1.852 176.455 174.700 -0.163 0.000 1.036 374 T CA 1.416 63.435 62.100 -0.134 0.000 1.148 374 T CB -0.335 68.478 68.868 -0.092 0.000 0.863 374 T HN 0.340 nan 8.240 nan 0.000 0.436 375 A N 1.423 124.119 122.820 -0.205 0.000 1.902 375 A HA 0.129 4.449 4.320 -0.000 0.000 0.217 375 A C 2.660 180.160 177.584 -0.141 0.000 1.181 375 A CA 1.899 53.834 52.037 -0.170 0.000 0.623 375 A CB -1.143 17.768 19.000 -0.149 0.000 0.818 375 A HN 0.515 nan 8.150 nan 0.000 0.443 376 A N -0.058 122.637 122.820 -0.209 0.000 1.883 376 A HA 0.097 4.416 4.320 -0.000 0.000 0.217 376 A C 2.531 180.086 177.584 -0.048 0.000 1.186 376 A CA 2.353 54.366 52.037 -0.041 0.000 0.624 376 A CB -1.096 17.862 19.000 -0.070 0.000 0.822 376 A HN 1.101 nan 8.150 nan 0.000 0.444 377 A N -0.022 122.738 122.820 -0.100 0.000 1.902 377 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 377 A C 1.754 179.271 177.584 -0.112 0.000 1.181 377 A CA 1.870 53.848 52.037 -0.098 0.000 0.623 377 A CB -0.624 18.333 19.000 -0.071 0.000 0.818 377 A HN 0.479 nan 8.150 nan 0.000 0.443 378 D N 0.039 120.349 120.400 -0.150 0.000 2.123 378 D HA -0.144 4.496 4.640 -0.000 0.000 0.196 378 D C 1.909 177.983 176.300 -0.377 0.000 0.992 378 D CA 1.514 55.364 54.000 -0.249 0.000 0.833 378 D CB -0.298 40.317 40.800 -0.309 0.000 0.954 378 D HN 0.519 nan 8.370 nan 0.000 0.455 379 K N 0.186 120.429 120.400 -0.262 0.000 2.057 379 K HA -0.028 4.292 4.320 -0.000 0.000 0.206 379 K C 2.364 178.994 176.600 0.050 0.000 1.050 379 K CA 0.549 56.748 56.287 -0.147 0.000 0.935 379 K CB -0.168 32.501 32.500 0.281 0.000 0.715 379 K HN 0.135 nan 8.250 nan 0.000 0.439 380 L N 1.144 122.369 121.223 0.004 0.000 2.141 380 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 380 L C 2.193 179.064 176.870 0.002 0.000 1.094 380 L CA 1.277 56.093 54.840 -0.039 0.000 0.763 380 L CB -0.250 41.679 42.059 -0.217 0.000 0.908 380 L HN 0.120 nan 8.230 nan 0.000 0.437 381 K N -1.120 119.278 120.400 -0.003 0.000 2.148 381 K HA -0.175 4.145 4.320 -0.000 0.000 0.204 381 K C 2.102 178.806 176.600 0.173 0.000 1.050 381 K CA 1.149 57.468 56.287 0.054 0.000 0.942 381 K CB -0.163 32.360 32.500 0.039 0.000 0.724 381 K HN 0.113 nan 8.250 nan 0.000 0.446 382 Y N 1.021 121.288 120.300 -0.056 0.000 2.165 382 Y HA -0.223 4.327 4.550 -0.000 0.000 0.286 382 Y C 2.315 178.258 175.900 0.072 0.000 1.155 382 Y CA 0.305 58.405 58.100 0.000 0.000 1.164 382 Y CB -0.897 37.426 38.460 -0.229 0.000 0.978 382 Y HN -0.219 nan 8.280 nan 0.000 0.513 383 V N 0.202 120.262 119.914 0.243 0.000 2.278 383 V HA -0.356 3.764 4.120 -0.000 0.000 0.251 383 V C 2.465 178.572 176.094 0.021 0.000 1.062 383 V CA 2.042 64.418 62.300 0.125 0.000 1.038 383 V CB -0.970 30.916 31.823 0.105 0.000 0.646 383 V HN 0.356 nan 8.190 nan 0.000 0.447 384 L N -0.056 121.185 121.223 0.030 0.000 2.109 384 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 384 L C 2.537 179.396 176.870 -0.018 0.000 1.086 384 L CA 1.772 56.607 54.840 -0.007 0.000 0.760 384 L CB -0.842 41.216 42.059 -0.002 0.000 0.910 384 L HN 0.496 nan 8.230 nan 0.000 0.437 385 N N 1.060 119.772 118.700 0.021 0.000 2.104 385 N HA -0.206 4.534 4.740 -0.000 0.000 0.190 385 N C 1.934 177.402 175.510 -0.069 0.000 1.024 385 N CA 1.285 54.343 53.050 0.013 0.000 0.853 385 N CB 0.017 38.536 38.487 0.053 0.000 1.008 385 N HN 0.300 nan 8.380 nan 0.000 0.424 386 L N -0.109 121.014 121.223 -0.166 0.000 2.362 386 L HA -0.009 4.331 4.340 -0.000 0.000 0.219 386 L C 1.595 178.273 176.870 -0.321 0.000 1.134 386 L CA 0.927 55.548 54.840 -0.365 0.000 0.807 386 L CB -0.329 41.454 42.059 -0.460 0.000 0.927 386 L HN 0.436 nan 8.230 nan 0.000 0.447 387 G N -0.331 108.344 108.800 -0.209 0.000 2.157 387 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.248 387 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.248 387 G C 0.254 175.031 174.900 -0.205 0.000 0.979 387 G CA -0.128 44.856 45.100 -0.193 0.000 0.650 387 G HN 0.203 nan 8.290 nan 0.000 0.529 388 L N 0.278 121.377 121.223 -0.206 0.000 2.453 388 L HA 0.402 4.741 4.340 -0.000 0.000 0.261 388 L C 1.517 178.339 176.870 -0.080 0.000 1.179 388 L CA -0.020 54.722 54.840 -0.164 0.000 0.813 388 L CB 0.543 42.517 42.059 -0.141 0.000 1.110 388 L HN 0.319 nan 8.230 nan 0.000 0.466 389 N N -1.799 116.871 118.700 -0.050 0.000 2.197 389 N HA 0.059 4.799 4.740 -0.000 0.000 0.201 389 N C -0.354 175.165 175.510 0.016 0.000 1.148 389 N CA -0.160 52.880 53.050 -0.016 0.000 0.883 389 N CB 0.815 39.292 38.487 -0.017 0.000 1.012 389 N HN 0.536 nan 8.380 nan 0.000 0.507 390 T N 0.147 114.712 114.554 0.019 0.000 2.982 390 T HA 0.513 4.863 4.350 -0.000 0.000 0.321 390 T C -1.002 173.737 174.700 0.065 0.000 1.229 390 T CA -0.822 61.302 62.100 0.040 0.000 1.044 390 T CB 2.277 71.158 68.868 0.022 0.000 1.184 390 T HN 0.108 nan 8.240 nan 0.000 0.477 391 V N 0.565 120.528 119.914 0.081 0.000 2.581 391 V HA 0.800 4.920 4.120 -0.000 0.000 0.303 391 V C -0.166 175.998 176.094 0.117 0.000 1.041 391 V CA -1.163 61.208 62.300 0.119 0.000 0.907 391 V CB 1.714 33.630 31.823 0.155 0.000 0.994 391 V HN 0.907 nan 8.190 nan 0.000 0.442 392 R N 3.074 123.650 120.500 0.126 0.000 2.407 392 R HA 0.725 5.064 4.340 -0.000 0.000 0.303 392 R C -1.678 174.698 176.300 0.126 0.000 0.981 392 R CA -0.801 55.364 56.100 0.107 0.000 0.905 392 R CB 1.515 31.888 30.300 0.122 0.000 1.099 392 R HN 0.781 nan 8.270 nan 0.000 0.459 393 L N 3.789 125.068 121.223 0.094 0.000 2.324 393 L HA 0.288 4.628 4.340 -0.000 0.000 0.274 393 L C -0.198 176.721 176.870 0.082 0.000 1.012 393 L CA 0.045 54.960 54.840 0.125 0.000 0.859 393 L CB 1.560 43.682 42.059 0.105 0.000 1.224 393 L HN 0.630 nan 8.230 nan 0.000 0.429 394 E N 3.623 123.961 120.200 0.231 0.000 1.941 394 E HA 0.457 4.807 4.350 -0.000 0.000 0.275 394 E C 0.802 177.558 176.600 0.259 0.000 1.113 394 E CA 0.343 56.883 56.400 0.234 0.000 0.878 394 E CB 0.265 30.256 29.700 0.484 0.000 1.070 394 E HN 0.748 nan 8.360 nan 0.000 0.399 395 G N 4.196 113.018 108.800 0.037 0.000 2.601 395 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.261 395 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.261 395 G C -0.047 174.951 174.900 0.164 0.000 1.289 395 G CA 0.200 45.297 45.100 -0.005 0.000 0.920 395 G HN 0.988 nan 8.290 nan 0.000 0.571 396 H N -1.879 117.240 119.070 0.082 0.000 2.731 396 H HA -0.163 4.393 4.556 -0.000 0.000 0.305 396 H C 1.127 176.547 175.328 0.154 0.000 1.132 396 H CA 0.841 56.924 56.048 0.058 0.000 1.148 396 H CB -2.012 27.717 29.762 -0.055 0.000 1.379 396 H HN 0.748 nan 8.280 nan 0.000 0.398 397 I N 0.984 121.749 120.570 0.325 0.000 2.662 397 I HA -0.043 4.127 4.170 -0.000 0.000 0.285 397 I C 1.177 177.456 176.117 0.270 0.000 1.161 397 I CA 0.424 61.883 61.300 0.264 0.000 1.415 397 I CB 0.324 38.408 38.000 0.139 0.000 1.385 397 I HN 0.226 nan 8.210 nan 0.000 0.552 398 E N 7.701 127.989 120.200 0.145 0.000 2.392 398 E HA 0.231 4.581 4.350 -0.000 0.000 0.256 398 E C -2.065 174.625 176.600 0.150 0.000 1.145 398 E CA -1.423 54.993 56.400 0.026 0.000 0.929 398 E CB 0.301 29.713 29.700 -0.480 0.000 0.998 398 E HN 0.327 nan 8.360 nan 0.000 0.442 399 P HA -0.026 nan 4.420 nan 0.000 0.271 399 P C 0.462 177.775 177.300 0.021 0.000 1.244 399 P CA -0.131 62.878 63.100 -0.152 0.000 0.793 399 P CB 0.490 31.820 31.700 -0.617 0.000 0.984 400 D N 0.531 120.953 120.400 0.036 0.000 2.149 400 D HA -0.172 4.468 4.640 -0.000 0.000 0.198 400 D C 1.430 177.843 176.300 0.187 0.000 0.990 400 D CA 1.583 55.674 54.000 0.153 0.000 0.839 400 D CB -0.123 40.761 40.800 0.140 0.000 0.948 400 D HN 0.483 nan 8.370 nan 0.000 0.460 401 E N -0.009 120.272 120.200 0.134 0.000 2.204 401 E HA -0.126 4.224 4.350 -0.000 0.000 0.195 401 E C 1.736 178.513 176.600 0.294 0.000 0.990 401 E CA 0.238 56.783 56.400 0.241 0.000 0.821 401 E CB -0.382 29.541 29.700 0.373 0.000 0.750 401 E HN 0.340 nan 8.360 nan 0.000 0.477 402 F N -0.235 119.815 119.950 0.166 0.000 2.134 402 F HA -0.165 4.361 4.527 -0.000 0.000 0.299 402 F C 1.442 177.103 175.800 -0.232 0.000 1.097 402 F CA 1.290 59.308 58.000 0.031 0.000 1.264 402 F CB -0.038 38.926 39.000 -0.058 0.000 1.001 402 F HN -0.037 nan 8.300 nan 0.000 0.479 403 F N 0.509 120.442 119.950 -0.028 0.000 2.367 403 F HA -0.102 4.425 4.527 -0.000 0.000 0.298 403 F C 2.216 177.880 175.800 -0.228 0.000 1.094 403 F CA 0.992 58.812 58.000 -0.300 0.000 1.409 403 F CB -0.654 37.936 39.000 -0.684 0.000 1.064 403 F HN -0.066 nan 8.300 nan 0.000 0.528 404 D N 0.566 121.015 120.400 0.081 0.000 2.117 404 D HA -0.150 4.489 4.640 -0.000 0.000 0.197 404 D C 2.412 178.751 176.300 0.067 0.000 0.987 404 D CA 1.324 55.424 54.000 0.166 0.000 0.829 404 D CB -0.301 40.605 40.800 0.178 0.000 0.961 404 D HN 0.247 nan 8.370 nan 0.000 0.460 405 I N 1.243 121.797 120.570 -0.028 0.000 2.163 405 I HA -0.244 3.926 4.170 -0.000 0.000 0.240 405 I C 2.574 178.616 176.117 -0.124 0.000 1.081 405 I CA 1.010 62.260 61.300 -0.084 0.000 1.353 405 I CB -0.285 37.630 38.000 -0.141 0.000 1.054 405 I HN -0.093 nan 8.210 nan 0.000 0.407 406 A N 0.829 123.482 122.820 -0.278 0.000 1.903 406 A HA -0.309 4.011 4.320 -0.000 0.000 0.219 406 A C 1.925 179.568 177.584 0.098 0.000 1.191 406 A CA 2.485 54.409 52.037 -0.188 0.000 0.638 406 A CB -0.818 17.977 19.000 -0.341 0.000 0.823 406 A HN 0.410 nan 8.150 nan 0.000 0.451 407 D N 0.139 120.627 120.400 0.147 0.000 2.104 407 D HA -0.134 4.506 4.640 -0.000 0.000 0.194 407 D C 1.401 177.984 176.300 0.472 0.000 0.994 407 D CA 1.623 55.813 54.000 0.318 0.000 0.830 407 D CB -0.569 40.324 40.800 0.155 0.000 0.959 407 D HN 0.424 nan 8.370 nan 0.000 0.452 408 D N -0.173 120.360 120.400 0.222 0.000 2.178 408 D HA -0.045 4.595 4.640 -0.000 0.000 0.202 408 D C 2.103 178.460 176.300 0.094 0.000 0.974 408 D CA 0.393 54.479 54.000 0.144 0.000 0.841 408 D CB -0.097 40.745 40.800 0.069 0.000 0.953 408 D HN 0.238 nan 8.370 nan 0.000 0.478 409 L N -1.075 120.194 121.223 0.076 0.000 2.477 409 L HA 0.201 4.540 4.340 -0.000 0.000 0.220 409 L C 1.384 178.264 176.870 0.017 0.000 1.106 409 L CA 0.464 55.316 54.840 0.021 0.000 0.851 409 L CB 0.124 42.173 42.059 -0.016 0.000 0.994 409 L HN 0.135 nan 8.230 nan 0.000 0.462 410 G N 0.600 109.466 108.800 0.109 0.000 2.137 410 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.237 410 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.237 410 G C 0.056 175.029 174.900 0.120 0.000 1.002 410 G CA -0.025 45.089 45.100 0.023 0.000 0.702 410 G HN 0.084 nan 8.290 nan 0.000 0.515 411 V N 1.715 121.718 119.914 0.149 0.000 2.461 411 V HA 0.505 4.625 4.120 -0.000 0.000 0.275 411 V C 1.166 177.361 176.094 0.169 0.000 1.047 411 V CA -0.537 61.819 62.300 0.093 0.000 0.955 411 V CB 1.382 33.199 31.823 -0.010 0.000 0.988 411 V HN 0.353 nan 8.190 nan 0.000 0.471 412 L N 4.896 126.215 121.223 0.160 0.000 2.395 412 L HA 0.552 4.892 4.340 -0.000 0.000 0.269 412 L C 0.572 177.503 176.870 0.102 0.000 1.133 412 L CA -0.044 54.891 54.840 0.159 0.000 0.812 412 L CB 1.168 43.299 42.059 0.121 0.000 1.125 412 L HN 0.806 nan 8.230 nan 0.000 0.452 413 T N 0.064 114.695 114.554 0.127 0.000 2.861 413 T HA 0.649 4.999 4.350 -0.000 0.000 0.287 413 T C -0.457 174.332 174.700 0.148 0.000 1.003 413 T CA -0.798 61.399 62.100 0.162 0.000 0.977 413 T CB 1.531 70.576 68.868 0.294 0.000 0.996 413 T HN 0.473 nan 8.240 nan 0.000 0.448 414 M N 4.431 124.097 119.600 0.110 0.000 2.325 414 M HA 0.323 4.803 4.480 -0.000 0.000 0.305 414 M C -2.480 173.819 176.300 -0.001 0.000 1.047 414 M CA -1.990 53.352 55.300 0.069 0.000 0.981 414 M CB 1.479 34.108 32.600 0.048 0.000 1.307 414 M HN 0.472 nan 8.290 nan 0.000 0.418 415 P HA 0.587 nan 4.420 nan 0.000 0.274 415 P C -0.111 176.640 177.300 -0.914 0.000 1.246 415 P CA 0.132 63.050 63.100 -0.303 0.000 0.795 415 P CB 1.675 33.266 31.700 -0.182 0.000 1.006 416 G N -0.333 107.766 108.800 -1.169 0.000 2.342 416 G HA2 0.324 4.284 3.960 -0.000 0.000 0.297 416 G HA3 0.324 4.284 3.960 -0.000 0.000 0.297 416 G C -2.003 172.321 174.900 -0.961 0.000 1.313 416 G CA -0.978 43.138 45.100 -1.640 0.000 0.830 416 G HN 0.403 nan 8.290 nan 0.000 0.506 417 W N 1.108 122.066 121.300 -0.570 0.000 2.215 417 W HA 0.495 5.155 4.660 -0.000 0.000 0.342 417 W C 1.080 177.397 176.519 -0.335 0.000 1.237 417 W CA -0.619 56.381 57.345 -0.574 0.000 1.283 417 W CB 0.883 30.038 29.460 -0.508 0.000 1.131 417 W HN 0.679 nan 8.180 nan 0.000 0.606 418 E N 1.094 121.255 120.200 -0.065 0.000 2.280 418 E HA 0.387 4.737 4.350 -0.000 0.000 0.264 418 E C 0.098 176.778 176.600 0.134 0.000 1.064 418 E CA -0.885 55.535 56.400 0.034 0.000 0.900 418 E CB 1.063 30.739 29.700 -0.041 0.000 1.123 418 E HN 0.544 nan 8.360 nan 0.000 0.418 419 C N -0.218 119.164 119.300 0.138 0.000 2.470 419 C HA 0.438 4.898 4.460 -0.000 0.000 0.350 419 C C 1.017 176.092 174.990 0.142 0.000 1.341 419 C CA -0.069 59.046 59.018 0.161 0.000 2.440 419 C CB -0.426 27.391 27.740 0.128 0.000 2.295 419 C HN 1.036 nan 8.230 nan 0.000 0.645 420 C N 1.503 120.892 119.300 0.150 0.000 4.417 420 C HA -0.048 4.412 4.460 -0.000 0.000 0.284 420 C C 0.055 175.092 174.990 0.079 0.000 1.379 420 C CA 1.433 60.512 59.018 0.102 0.000 1.918 420 C CB -3.590 24.196 27.740 0.078 0.000 1.280 420 C HN 1.224 nan 8.230 nan 0.000 0.783 421 D N -1.665 118.799 120.400 0.108 0.000 3.557 421 D HA 0.374 5.014 4.640 -0.000 0.000 0.331 421 D C 0.623 176.975 176.300 0.087 0.000 1.442 421 D CA -0.019 54.025 54.000 0.073 0.000 0.971 421 D CB -0.098 40.729 40.800 0.045 0.000 1.423 421 D HN -0.149 nan 8.370 nan 0.000 0.604 422 K N -0.426 119.977 120.400 0.004 0.000 2.074 422 K HA -0.053 4.267 4.320 -0.000 0.000 0.209 422 K C 1.817 178.450 176.600 0.055 0.000 1.048 422 K CA 1.837 58.074 56.287 -0.083 0.000 0.926 422 K CB -0.682 31.616 32.500 -0.336 0.000 0.713 422 K HN 0.520 nan 8.250 nan 0.000 0.444 423 W N 1.087 122.459 121.300 0.121 0.000 2.342 423 W HA -0.113 4.547 4.660 -0.000 0.000 0.297 423 W C 1.532 178.221 176.519 0.283 0.000 1.213 423 W CA 1.442 58.917 57.345 0.218 0.000 1.251 423 W CB -0.042 29.459 29.460 0.069 0.000 1.136 423 W HN 0.206 nan 8.180 nan 0.000 0.526 424 E N -0.731 119.694 120.200 0.376 0.000 2.476 424 E HA 0.090 4.440 4.350 -0.000 0.000 0.196 424 E C 2.197 178.822 176.600 0.040 0.000 1.029 424 E CA 0.172 56.690 56.400 0.197 0.000 0.896 424 E CB 0.097 29.942 29.700 0.242 0.000 1.012 424 E HN 0.283 nan 8.360 nan 0.000 0.475 425 G N 1.430 110.291 108.800 0.102 0.000 2.448 425 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.219 425 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.219 425 G C 1.584 176.425 174.900 -0.098 0.000 1.127 425 G CA 0.519 45.640 45.100 0.034 0.000 0.766 425 G HN 0.139 nan 8.290 nan 0.000 0.552 426 Q N 0.342 119.948 119.800 -0.323 0.000 2.432 426 Q HA 0.087 4.426 4.340 -0.000 0.000 0.205 426 Q C 2.039 177.835 176.000 -0.339 0.000 0.945 426 Q CA 1.258 56.794 55.803 -0.444 0.000 0.924 426 Q CB 0.149 28.299 28.738 -0.981 0.000 1.016 426 Q HN 0.468 nan 8.270 nan 0.000 0.503 427 V N -4.064 115.660 119.914 -0.318 0.000 3.502 427 V HA 0.313 4.433 4.120 -0.000 0.000 0.288 427 V C 1.504 177.252 176.094 -0.577 0.000 1.461 427 V CA 0.204 62.315 62.300 -0.315 0.000 1.029 427 V CB -0.120 31.595 31.823 -0.179 0.000 0.843 427 V HN 0.059 nan 8.190 nan 0.000 0.438 428 N N 2.248 120.635 118.700 -0.521 0.000 2.036 428 N HA 0.058 4.798 4.740 -0.000 0.000 0.195 428 N C 1.482 176.538 175.510 -0.757 0.000 1.037 428 N CA 2.541 55.182 53.050 -0.682 0.000 0.855 428 N CB -0.323 38.018 38.487 -0.244 0.000 1.033 428 N HN 0.939 nan 8.380 nan 0.000 0.423 429 G N -1.068 107.487 108.800 -0.409 0.000 2.754 429 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.241 429 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.241 429 G C 0.134 174.949 174.900 -0.143 0.000 1.281 429 G CA 0.734 45.689 45.100 -0.242 0.000 0.971 429 G HN 0.669 nan 8.290 nan 0.000 0.569 434 E N 2.661 122.861 120.200 0.001 0.000 2.313 434 E HA 0.314 4.664 4.350 -0.000 0.000 0.276 434 E C -2.081 174.565 176.600 0.077 0.000 1.031 434 E CA -1.444 54.960 56.400 0.006 0.000 0.857 434 E CB 1.537 31.218 29.700 -0.032 0.000 1.040 434 E HN 0.216 nan 8.360 nan 0.000 0.408 435 P HA -0.088 nan 4.420 nan 0.000 0.268 435 P C -0.977 176.448 177.300 0.209 0.000 1.208 435 P CA 0.071 63.229 63.100 0.096 0.000 0.777 435 P CB 0.383 32.102 31.700 0.032 0.000 0.875 436 W N 1.920 123.135 121.300 -0.140 0.000 2.261 436 W HA 0.358 5.018 4.660 -0.000 0.000 0.323 436 W C -0.003 176.476 176.519 -0.066 0.000 1.243 436 W CA -0.362 56.857 57.345 -0.210 0.000 1.210 436 W CB -0.025 29.145 29.460 -0.483 0.000 1.149 436 W HN 0.109 nan 8.180 nan 0.000 0.562 437 V N 0.350 120.327 119.914 0.105 0.000 2.975 437 V HA 0.432 4.552 4.120 -0.000 0.000 0.318 437 V C 1.058 177.261 176.094 0.182 0.000 1.077 437 V CA -0.765 61.601 62.300 0.110 0.000 1.000 437 V CB 1.725 33.556 31.823 0.013 0.000 1.066 437 V HN 0.570 nan 8.190 nan 0.000 0.452 438 E N 1.681 121.985 120.200 0.173 0.000 2.147 438 E HA -0.209 4.141 4.350 -0.000 0.000 0.199 438 E C 2.255 178.955 176.600 0.167 0.000 1.005 438 E CA 2.096 58.617 56.400 0.202 0.000 0.810 438 E CB -0.391 29.349 29.700 0.066 0.000 0.736 438 E HN 1.045 nan 8.360 nan 0.000 0.460 439 S N 0.527 116.245 115.700 0.030 0.000 2.515 439 S HA -0.094 4.376 4.470 -0.000 0.000 0.231 439 S C 1.320 175.837 174.600 -0.138 0.000 0.987 439 S CA 0.747 58.919 58.200 -0.046 0.000 0.936 439 S CB 0.071 63.220 63.200 -0.084 0.000 0.766 439 S HN 0.036 nan 8.310 nan 0.000 0.528 440 D N 0.838 121.100 120.400 -0.231 0.000 2.183 440 D HA -0.015 4.625 4.640 -0.000 0.000 0.203 440 D C 1.416 177.365 176.300 -0.585 0.000 0.969 440 D CA 1.035 54.671 54.000 -0.608 0.000 0.842 440 D CB -0.385 39.790 40.800 -1.042 0.000 0.957 440 D HN 0.533 nan 8.370 nan 0.000 0.484 441 Y N 0.672 120.886 120.300 -0.144 0.000 2.145 441 Y HA -0.095 4.455 4.550 -0.000 0.000 0.286 441 Y C -0.378 175.491 175.900 -0.051 0.000 1.145 441 Y CA 1.091 59.197 58.100 0.010 0.000 1.148 441 Y CB -1.599 36.913 38.460 0.086 0.000 0.981 441 Y HN 0.154 nan 8.280 nan 0.000 0.507 442 P HA -0.119 nan 4.420 nan 0.000 0.219 442 P C 1.295 178.578 177.300 -0.029 0.000 1.150 442 P CA 1.510 64.621 63.100 0.018 0.000 0.814 442 P CB -0.059 31.641 31.700 0.001 0.000 0.787 443 I N -0.357 120.142 120.570 -0.118 0.000 2.202 443 I HA -0.229 3.941 4.170 -0.000 0.000 0.242 443 I C 2.397 178.437 176.117 -0.129 0.000 1.091 443 I CA 1.436 62.647 61.300 -0.148 0.000 1.368 443 I CB -0.898 36.946 38.000 -0.260 0.000 1.058 443 I HN -0.095 nan 8.210 nan 0.000 0.410 444 A N 0.896 123.577 122.820 -0.232 0.000 1.883 444 A HA -0.287 4.033 4.320 -0.000 0.000 0.217 444 A C 2.399 180.154 177.584 0.284 0.000 1.186 444 A CA 2.217 54.235 52.037 -0.033 0.000 0.624 444 A CB -0.578 18.377 19.000 -0.075 0.000 0.822 444 A HN 0.407 nan 8.150 nan 0.000 0.444 445 K N -0.451 120.060 120.400 0.185 0.000 2.103 445 K HA 0.020 4.340 4.320 -0.000 0.000 0.204 445 K C 2.130 178.866 176.600 0.227 0.000 1.052 445 K CA 1.143 57.571 56.287 0.235 0.000 0.945 445 K CB -0.347 32.235 32.500 0.137 0.000 0.722 445 K HN 0.321 nan 8.250 nan 0.000 0.443 446 A N 0.895 123.801 122.820 0.142 0.000 1.908 446 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 446 A C 2.173 179.878 177.584 0.202 0.000 1.181 446 A CA 2.112 54.229 52.037 0.134 0.000 0.627 446 A CB -0.778 18.250 19.000 0.048 0.000 0.818 446 A HN 0.405 nan 8.150 nan 0.000 0.445 447 S N -0.797 115.037 115.700 0.222 0.000 2.365 447 S HA -0.262 4.208 4.470 -0.000 0.000 0.225 447 S C 2.012 176.830 174.600 0.362 0.000 1.039 447 S CA 2.057 60.451 58.200 0.324 0.000 1.033 447 S CB -0.417 63.016 63.200 0.388 0.000 0.887 447 S HN 0.588 nan 8.310 nan 0.000 0.447 448 M N 0.867 120.718 119.600 0.418 0.000 2.117 448 M HA -0.035 4.445 4.480 -0.000 0.000 0.262 448 M C 1.733 178.009 176.300 -0.041 0.000 1.065 448 M CA 1.438 56.862 55.300 0.207 0.000 1.114 448 M CB -0.619 32.185 32.600 0.341 0.000 1.361 448 M HN 0.318 nan 8.290 nan 0.000 0.408 449 F N -0.186 119.753 119.950 -0.018 0.000 2.102 449 F HA -0.174 4.353 4.527 -0.000 0.000 0.298 449 F C 2.164 177.902 175.800 -0.103 0.000 1.105 449 F CA 2.057 60.013 58.000 -0.074 0.000 1.239 449 F CB -0.650 38.330 39.000 -0.034 0.000 0.991 449 F HN 0.153 nan 8.300 nan 0.000 0.474 450 S N 0.202 115.897 115.700 -0.009 0.000 2.368 450 S HA -0.169 4.301 4.470 -0.000 0.000 0.225 450 S C 1.850 176.334 174.600 -0.193 0.000 1.030 450 S CA 1.275 59.420 58.200 -0.092 0.000 0.999 450 S CB -0.363 62.859 63.200 0.037 0.000 0.844 450 S HN 0.401 nan 8.310 nan 0.000 0.459 451 E N 1.703 121.799 120.200 -0.173 0.000 2.051 451 E HA -0.072 4.278 4.350 -0.000 0.000 0.192 451 E C 2.430 178.747 176.600 -0.472 0.000 0.991 451 E CA 1.186 57.407 56.400 -0.298 0.000 0.799 451 E CB -0.679 28.790 29.700 -0.385 0.000 0.748 451 E HN 0.461 nan 8.360 nan 0.000 0.449 452 A N 1.527 123.955 122.820 -0.655 0.000 1.917 452 A HA -0.274 4.046 4.320 -0.000 0.000 0.219 452 A C 2.151 179.508 177.584 -0.379 0.000 1.182 452 A CA 2.091 53.725 52.037 -0.671 0.000 0.633 452 A CB -0.598 17.993 19.000 -0.682 0.000 0.819 452 A HN 0.391 nan 8.150 nan 0.000 0.448 453 E N -0.571 119.309 120.200 -0.534 0.000 2.106 453 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 453 E C 2.241 178.684 176.600 -0.261 0.000 0.984 453 E CA 0.938 57.051 56.400 -0.478 0.000 0.806 453 E CB -0.162 29.126 29.700 -0.687 0.000 0.750 453 E HN 0.593 nan 8.360 nan 0.000 0.458 454 R N -0.155 120.218 120.500 -0.212 0.000 2.096 454 R HA -0.033 4.307 4.340 -0.000 0.000 0.235 454 R C 2.358 178.630 176.300 -0.047 0.000 1.127 454 R CA 1.263 57.298 56.100 -0.107 0.000 0.968 454 R CB 0.020 30.255 30.300 -0.109 0.000 0.861 454 R HN 0.287 nan 8.270 nan 0.000 0.440 455 L N -0.062 121.103 121.223 -0.097 0.000 2.408 455 L HA 0.063 4.402 4.340 -0.000 0.000 0.215 455 L C 2.314 179.233 176.870 0.080 0.000 1.081 455 L CA 0.198 55.015 54.840 -0.038 0.000 0.840 455 L CB -0.233 41.753 42.059 -0.122 0.000 1.002 455 L HN 0.153 nan 8.230 nan 0.000 0.468 456 R N -0.119 120.425 120.500 0.072 0.000 2.170 456 R HA -0.178 4.162 4.340 -0.000 0.000 0.242 456 R C 0.408 176.641 176.300 -0.111 0.000 1.145 456 R CA 1.779 57.865 56.100 -0.023 0.000 0.984 456 R CB -0.473 29.793 30.300 -0.055 0.000 0.869 456 R HN 0.198 nan 8.270 nan 0.000 0.455 457 D N 0.031 120.355 120.400 -0.128 0.000 2.368 457 D HA 0.102 4.742 4.640 -0.000 0.000 0.218 457 D C -0.553 175.578 176.300 -0.281 0.000 1.112 457 D CA 0.071 53.975 54.000 -0.160 0.000 0.834 457 D CB 0.160 40.894 40.800 -0.111 0.000 0.953 457 D HN 0.282 nan 8.370 nan 0.000 0.505 458 H N 0.899 119.902 119.070 -0.111 0.000 2.640 458 H HA 0.136 4.692 4.556 -0.000 0.000 0.297 458 H C -1.444 173.715 175.328 -0.282 0.000 1.073 458 H CA -1.489 54.470 56.048 -0.149 0.000 1.305 458 H CB 1.662 31.390 29.762 -0.057 0.000 1.404 458 H HN -0.009 nan 8.280 nan 0.000 0.459 459 P HA -0.149 nan 4.420 nan 0.000 0.222 459 P C 1.489 178.214 177.300 -0.959 0.000 1.147 459 P CA 0.903 63.510 63.100 -0.823 0.000 0.790 459 P CB 0.327 31.166 31.700 -1.435 0.000 0.780 460 S N -0.623 114.666 115.700 -0.686 0.000 2.419 460 S HA -0.050 4.420 4.470 -0.000 0.000 0.233 460 S C 1.083 175.689 174.600 0.009 0.000 1.016 460 S CA 0.372 58.447 58.200 -0.208 0.000 0.974 460 S CB -1.539 61.693 63.200 0.054 0.000 0.786 460 S HN -0.057 nan 8.310 nan 0.000 0.492 461 V N 3.802 123.735 119.914 0.031 0.000 2.485 461 V HA 0.172 4.292 4.120 -0.000 0.000 0.287 461 V C 1.251 177.375 176.094 0.050 0.000 1.022 461 V CA 0.210 62.570 62.300 0.099 0.000 1.067 461 V CB 0.308 32.190 31.823 0.098 0.000 0.967 461 V HN 0.642 nan 8.190 nan 0.000 0.479 462 I N 2.123 122.754 120.570 0.101 0.000 4.057 462 I HA 0.409 4.578 4.170 -0.000 0.000 0.334 462 I C 0.638 176.899 176.117 0.239 0.000 1.308 462 I CA 0.148 61.533 61.300 0.141 0.000 1.125 462 I CB 0.511 38.580 38.000 0.115 0.000 1.034 462 I HN 0.660 nan 8.210 nan 0.000 0.401 463 S N -0.198 115.636 115.700 0.224 0.000 2.627 463 S HA 0.536 5.006 4.470 -0.000 0.000 0.268 463 S C -1.484 173.289 174.600 0.288 0.000 1.130 463 S CA -0.750 57.600 58.200 0.251 0.000 0.819 463 S CB 1.520 64.880 63.200 0.267 0.000 1.100 463 S HN 0.199 nan 8.310 nan 0.000 0.465 464 F N 1.492 121.495 119.950 0.089 0.000 2.529 464 F HA 0.508 5.035 4.527 -0.000 0.000 0.320 464 F C -0.175 175.497 175.800 -0.212 0.000 1.118 464 F CA -0.404 57.522 58.000 -0.124 0.000 0.915 464 F CB 1.633 40.405 39.000 -0.380 0.000 1.161 464 F HN 0.761 nan 8.300 nan 0.000 0.445 465 H N 7.792 126.545 119.070 -0.527 0.000 2.761 465 H HA 0.248 4.804 4.556 -0.000 0.000 0.284 465 H C 1.136 176.293 175.328 -0.285 0.000 1.105 465 H CA 0.156 56.016 56.048 -0.313 0.000 1.352 465 H CB 1.205 30.777 29.762 -0.316 0.000 1.423 465 H HN 0.757 nan 8.280 nan 0.000 0.464 466 I N 0.439 121.034 120.570 0.041 0.000 3.564 466 I HA 0.287 4.457 4.170 -0.000 0.000 0.294 466 I C 0.747 177.052 176.117 0.314 0.000 1.289 466 I CA 0.027 61.398 61.300 0.120 0.000 1.325 466 I CB 0.430 38.532 38.000 0.170 0.000 1.039 466 I HN 0.315 nan 8.210 nan 0.000 0.474 467 G N -0.476 108.466 108.800 0.237 0.000 2.677 467 G HA2 0.465 4.425 3.960 -0.000 0.000 0.291 467 G HA3 0.465 4.425 3.960 -0.000 0.000 0.291 467 G C -0.889 174.137 174.900 0.209 0.000 1.435 467 G CA 0.135 45.395 45.100 0.266 0.000 0.826 467 G HN -0.011 nan 8.290 nan 0.000 0.491 468 S N -0.969 114.837 115.700 0.178 0.000 3.152 468 S HA 0.274 4.744 4.470 -0.000 0.000 0.173 468 S C 1.512 176.127 174.600 0.025 0.000 0.751 468 S CA 1.150 59.406 58.200 0.094 0.000 0.933 468 S CB -0.607 62.634 63.200 0.069 0.000 0.877 468 S HN 0.764 nan 8.310 nan 0.000 0.766 469 E N -0.113 120.076 120.200 -0.018 0.000 2.831 469 E HA -0.271 4.079 4.350 -0.000 0.000 0.227 469 E C -0.715 175.715 176.600 -0.284 0.000 0.895 469 E CA 2.252 58.580 56.400 -0.119 0.000 1.313 469 E CB -0.355 29.310 29.700 -0.059 0.000 1.338 469 E HN 0.410 nan 8.360 nan 0.000 0.485 470 F N -0.546 119.436 119.950 0.054 0.000 2.469 470 F HA 0.498 5.024 4.527 -0.000 0.000 0.332 470 F C 0.410 176.255 175.800 0.075 0.000 1.103 470 F CA -0.464 57.565 58.000 0.048 0.000 0.979 470 F CB 1.592 40.607 39.000 0.026 0.000 1.137 470 F HN 0.206 nan 8.300 nan 0.000 0.463 471 A N 4.341 127.293 122.820 0.220 0.000 2.425 471 A HA 0.456 4.775 4.320 -0.000 0.000 0.242 471 A C -2.285 175.407 177.584 0.179 0.000 1.077 471 A CA -1.200 50.945 52.037 0.180 0.000 0.781 471 A CB -0.567 18.508 19.000 0.125 0.000 1.020 471 A HN 0.442 nan 8.150 nan 0.000 0.494 472 P HA 0.157 nan 4.420 nan 0.000 0.270 472 P C -0.656 176.671 177.300 0.045 0.000 1.223 472 P CA -0.211 62.957 63.100 0.114 0.000 0.785 472 P CB 0.380 32.206 31.700 0.209 0.000 0.923 473 D N 0.460 120.840 120.400 -0.034 0.000 2.414 473 D HA 0.056 4.696 4.640 -0.000 0.000 0.251 473 D C 1.392 177.681 176.300 -0.018 0.000 1.252 473 D CA -0.377 53.604 54.000 -0.031 0.000 0.999 473 D CB 0.383 41.142 40.800 -0.069 0.000 1.093 473 D HN 0.318 nan 8.370 nan 0.000 0.515 474 R N -0.521 119.970 120.500 -0.015 0.000 2.073 474 R HA -0.140 4.200 4.340 -0.000 0.000 0.234 474 R C 2.324 178.614 176.300 -0.018 0.000 1.134 474 R CA 1.188 57.283 56.100 -0.008 0.000 0.952 474 R CB -0.154 30.140 30.300 -0.011 0.000 0.850 474 R HN 0.523 nan 8.270 nan 0.000 0.433 475 R N 0.409 120.889 120.500 -0.034 0.000 2.096 475 R HA -0.146 4.194 4.340 -0.000 0.000 0.240 475 R C 2.249 178.540 176.300 -0.015 0.000 1.139 475 R CA 2.120 58.196 56.100 -0.040 0.000 0.952 475 R CB -0.319 29.935 30.300 -0.077 0.000 0.854 475 R HN 0.325 nan 8.270 nan 0.000 0.436 476 I N 0.200 120.746 120.570 -0.041 0.000 2.252 476 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 476 I C 2.564 178.530 176.117 -0.252 0.000 1.102 476 I CA 1.341 62.536 61.300 -0.176 0.000 1.385 476 I CB -0.377 37.413 38.000 -0.351 0.000 1.064 476 I HN 0.387 nan 8.210 nan 0.000 0.414 477 E N 0.836 121.004 120.200 -0.053 0.000 2.072 477 E HA -0.318 4.031 4.350 -0.000 0.000 0.191 477 E C 2.175 178.823 176.600 0.081 0.000 0.985 477 E CA 1.321 57.773 56.400 0.086 0.000 0.801 477 E CB 0.039 29.806 29.700 0.112 0.000 0.750 477 E HN 0.324 nan 8.360 nan 0.000 0.452 478 Q N 0.169 119.988 119.800 0.032 0.000 2.124 478 Q HA -0.079 4.261 4.340 -0.000 0.000 0.202 478 Q C 1.961 177.987 176.000 0.044 0.000 0.977 478 Q CA 1.979 57.805 55.803 0.038 0.000 0.850 478 Q CB -0.721 28.025 28.738 0.013 0.000 0.901 478 Q HN 0.362 nan 8.270 nan 0.000 0.429 479 G N -0.814 107.990 108.800 0.006 0.000 2.440 479 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.218 479 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.218 479 G C 0.877 175.846 174.900 0.115 0.000 1.154 479 G CA 1.092 46.204 45.100 0.020 0.000 0.767 479 G HN 0.386 nan 8.290 nan 0.000 0.552 480 Y N 0.603 120.991 120.300 0.148 0.000 2.163 480 Y HA 0.107 4.657 4.550 -0.000 0.000 0.288 480 Y C 2.852 178.788 175.900 0.059 0.000 1.136 480 Y CA 0.216 58.394 58.100 0.131 0.000 1.147 480 Y CB -0.812 37.758 38.460 0.183 0.000 0.987 480 Y HN 0.064 nan 8.280 nan 0.000 0.509 481 L N -0.385 120.974 121.223 0.226 0.000 2.042 481 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 481 L C 1.951 178.888 176.870 0.111 0.000 1.076 481 L CA 1.540 56.462 54.840 0.136 0.000 0.749 481 L CB -0.531 41.593 42.059 0.109 0.000 0.893 481 L HN 0.135 nan 8.230 nan 0.000 0.432 482 D N 0.129 120.594 120.400 0.107 0.000 2.117 482 D HA -0.125 4.515 4.640 -0.000 0.000 0.198 482 D C 2.246 178.616 176.300 0.117 0.000 0.982 482 D CA 1.424 55.477 54.000 0.089 0.000 0.828 482 D CB -0.066 40.772 40.800 0.064 0.000 0.967 482 D HN 0.292 nan 8.370 nan 0.000 0.464 483 A N 0.686 123.599 122.820 0.155 0.000 1.877 483 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 483 A C 2.268 179.964 177.584 0.187 0.000 1.186 483 A CA 1.481 53.654 52.037 0.226 0.000 0.620 483 A CB -0.613 18.535 19.000 0.248 0.000 0.822 483 A HN 0.151 nan 8.150 nan 0.000 0.443 484 M N -1.017 118.624 119.600 0.069 0.000 2.159 484 M HA -0.145 4.335 4.480 -0.000 0.000 0.263 484 M C 2.274 178.636 176.300 0.104 0.000 1.063 484 M CA 1.789 57.102 55.300 0.023 0.000 1.110 484 M CB -0.228 32.377 32.600 0.009 0.000 1.374 484 M HN 0.456 nan 8.290 nan 0.000 0.411 485 K N 0.576 121.040 120.400 0.107 0.000 2.001 485 K HA -0.120 4.200 4.320 -0.000 0.000 0.208 485 K C 1.971 178.637 176.600 0.111 0.000 1.048 485 K CA 1.481 57.825 56.287 0.095 0.000 0.932 485 K CB -0.128 32.418 32.500 0.077 0.000 0.715 485 K HN 0.273 nan 8.250 nan 0.000 0.437 486 A N 0.844 123.753 122.820 0.149 0.000 1.978 486 A HA -0.129 4.191 4.320 -0.000 0.000 0.220 486 A C 2.072 179.822 177.584 0.276 0.000 1.170 486 A CA 1.977 54.134 52.037 0.200 0.000 0.636 486 A CB -0.527 18.588 19.000 0.191 0.000 0.810 486 A HN 0.471 nan 8.150 nan 0.000 0.448 487 A N -1.434 121.498 122.820 0.186 0.000 2.275 487 A HA 0.275 4.595 4.320 -0.000 0.000 0.212 487 A C 0.461 177.971 177.584 -0.124 0.000 1.201 487 A CA 0.728 52.718 52.037 -0.079 0.000 0.843 487 A CB -0.150 18.618 19.000 -0.387 0.000 0.873 487 A HN 0.429 nan 8.150 nan 0.000 0.492 488 D N -1.872 118.535 120.400 0.011 0.000 2.811 488 D HA -0.208 4.432 4.640 -0.000 0.000 0.231 488 D C -0.292 176.000 176.300 -0.013 0.000 1.157 488 D CA 0.811 54.825 54.000 0.022 0.000 0.716 488 D CB -1.713 39.150 40.800 0.106 0.000 1.077 488 D HN 0.530 nan 8.370 nan 0.000 0.428 489 F N 0.758 120.625 119.950 -0.139 0.000 2.462 489 F HA 0.225 4.752 4.527 -0.000 0.000 0.360 489 F C 1.105 176.850 175.800 -0.092 0.000 1.134 489 F CA -0.183 57.728 58.000 -0.150 0.000 1.148 489 F CB 0.300 39.175 39.000 -0.208 0.000 1.147 489 F HN -0.028 nan 8.300 nan 0.000 0.550 490 L N 6.855 127.809 121.223 -0.449 0.000 2.857 490 L HA 0.255 4.595 4.340 -0.000 0.000 0.249 490 L C 0.007 176.670 176.870 -0.345 0.000 1.172 490 L CA -0.162 54.516 54.840 -0.271 0.000 0.980 490 L CB -0.302 41.657 42.059 -0.168 0.000 1.299 490 L HN 0.476 nan 8.230 nan 0.000 0.535 491 L N 0.569 121.378 121.223 -0.689 0.000 2.453 491 L HA 0.281 4.621 4.340 -0.000 0.000 0.261 491 L C -1.877 174.929 176.870 -0.108 0.000 1.179 491 L CA -1.807 52.774 54.840 -0.432 0.000 0.813 491 L CB 0.120 41.830 42.059 -0.581 0.000 1.110 491 L HN -0.189 nan 8.230 nan 0.000 0.466 492 P HA -0.017 nan 4.420 nan 0.000 0.262 492 P C -0.996 176.336 177.300 0.054 0.000 1.182 492 P CA 0.043 63.134 63.100 -0.014 0.000 0.761 492 P CB 0.402 32.061 31.700 -0.069 0.000 0.795 493 V N 6.012 125.944 119.914 0.030 0.000 2.370 493 V HA 0.283 4.403 4.120 -0.000 0.000 0.279 493 V C 0.481 176.524 176.094 -0.085 0.000 1.029 493 V CA -0.291 62.026 62.300 0.029 0.000 0.870 493 V CB 0.832 32.694 31.823 0.065 0.000 0.984 493 V HN 0.363 nan 8.190 nan 0.000 0.451 494 I N 8.242 128.687 120.570 -0.209 0.000 2.330 494 I HA 0.327 4.497 4.170 -0.000 0.000 0.289 494 I C -1.188 174.789 176.117 -0.233 0.000 1.001 494 I CA -1.739 59.350 61.300 -0.352 0.000 1.193 494 I CB 2.205 39.776 38.000 -0.715 0.000 1.345 494 I HN 0.441 nan 8.210 nan 0.000 0.461 495 P HA -0.038 nan 4.420 nan 0.000 0.221 495 P C 0.209 177.547 177.300 0.063 0.000 1.150 495 P CA 0.943 64.054 63.100 0.018 0.000 0.800 495 P CB 0.572 32.291 31.700 0.031 0.000 0.787 496 A N -1.633 121.216 122.820 0.048 0.000 2.599 496 A HA 0.650 4.970 4.320 -0.000 0.000 0.290 496 A C 0.401 178.101 177.584 0.194 0.000 1.101 496 A CA 0.029 52.143 52.037 0.129 0.000 0.674 496 A CB 0.526 19.567 19.000 0.068 0.000 1.277 496 A HN -0.075 nan 8.150 nan 0.000 0.419 497 A N 0.029 122.953 122.820 0.173 0.000 2.220 497 A HA 0.464 4.784 4.320 -0.000 0.000 0.211 497 A C 1.339 178.932 177.584 0.016 0.000 1.176 497 A CA 1.293 53.381 52.037 0.085 0.000 0.834 497 A CB -0.631 18.299 19.000 -0.116 0.000 0.868 497 A HN 1.867 nan 8.150 nan 0.000 0.488 498 S N -1.050 114.645 115.700 -0.009 0.000 2.686 498 S HA 0.568 5.038 4.470 -0.000 0.000 0.270 498 S C 1.053 175.651 174.600 -0.003 0.000 1.194 498 S CA 0.011 58.191 58.200 -0.034 0.000 0.990 498 S CB 1.224 64.358 63.200 -0.109 0.000 1.029 498 S HN 0.832 nan 8.310 nan 0.000 0.560 499 A N -0.098 122.722 122.820 0.001 0.000 2.252 499 A HA 0.180 4.500 4.320 -0.000 0.000 0.207 499 A C 0.947 178.542 177.584 0.019 0.000 1.194 499 A CA -0.094 51.959 52.037 0.026 0.000 0.809 499 A CB -0.601 18.431 19.000 0.053 0.000 0.814 499 A HN 0.714 nan 8.150 nan 0.000 0.482 500 R N 1.289 121.786 120.500 -0.005 0.000 2.401 500 R HA 0.254 4.594 4.340 -0.000 0.000 0.299 500 R C -2.501 173.819 176.300 0.033 0.000 1.064 500 R CA -1.404 54.702 56.100 0.010 0.000 1.000 500 R CB 0.445 30.734 30.300 -0.018 0.000 0.973 500 R HN 0.276 nan 8.270 nan 0.000 0.438 501 P HA 0.092 nan 4.420 nan 0.000 0.278 501 P C -0.845 176.488 177.300 0.055 0.000 1.258 501 P CA -0.571 62.554 63.100 0.041 0.000 0.811 501 P CB 1.438 33.159 31.700 0.035 0.000 1.063 502 S N 0.104 115.836 115.700 0.052 0.000 2.638 502 S HA 0.494 4.964 4.470 -0.000 0.000 0.298 502 S C -1.933 172.694 174.600 0.045 0.000 1.111 502 S CA -1.440 56.796 58.200 0.060 0.000 1.027 502 S CB 0.893 64.138 63.200 0.076 0.000 1.064 502 S HN 0.198 nan 8.310 nan 0.000 0.525 503 P HA 0.012 nan 4.420 nan 0.000 0.216 503 P C 0.927 178.243 177.300 0.027 0.000 1.150 503 P CA 1.033 64.150 63.100 0.028 0.000 0.837 503 P CB -0.023 31.689 31.700 0.021 0.000 0.786 504 I N -2.050 118.540 120.570 0.034 0.000 2.681 504 I HA -0.073 4.097 4.170 -0.000 0.000 0.247 504 I C 2.011 178.146 176.117 0.030 0.000 1.091 504 I CA 1.154 62.473 61.300 0.031 0.000 1.442 504 I CB -1.122 36.900 38.000 0.037 0.000 1.219 504 I HN -0.173 nan 8.210 nan 0.000 0.451 505 T N 0.404 114.980 114.554 0.037 0.000 2.867 505 T HA 0.161 4.511 4.350 -0.000 0.000 0.268 505 T C 1.057 175.765 174.700 0.014 0.000 1.057 505 T CA 1.099 63.214 62.100 0.026 0.000 1.136 505 T CB -0.351 68.535 68.868 0.030 0.000 0.874 505 T HN 0.664 nan 8.240 nan 0.000 0.466 506 G N 1.034 109.845 108.800 0.020 0.000 2.466 506 G HA2 0.139 4.098 3.960 -0.000 0.000 0.218 506 G HA3 0.139 4.098 3.960 -0.000 0.000 0.218 506 G C -0.042 174.866 174.900 0.012 0.000 1.237 506 G CA -0.416 44.694 45.100 0.015 0.000 0.954 506 G HN 0.809 nan 8.290 nan 0.000 0.580 507 A N -0.156 122.670 122.820 0.009 0.000 2.483 507 A HA 0.606 4.926 4.320 -0.000 0.000 0.238 507 A C 1.821 179.403 177.584 -0.003 0.000 1.070 507 A CA 1.523 53.567 52.037 0.011 0.000 0.770 507 A CB 0.389 19.399 19.000 0.016 0.000 1.008 507 A HN 2.385 nan 8.150 nan 0.000 0.497 508 S N 1.835 117.536 115.700 0.002 0.000 2.425 508 S HA 0.285 4.755 4.470 -0.000 0.000 0.225 508 S C 1.536 176.117 174.600 -0.031 0.000 1.024 508 S CA 1.110 59.297 58.200 -0.022 0.000 0.951 508 S CB -0.521 62.678 63.200 -0.002 0.000 0.796 508 S HN 2.618 nan 8.310 nan 0.000 0.498 509 G N 1.286 110.094 108.800 0.014 0.000 2.153 509 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.252 509 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.252 509 G C -0.010 174.947 174.900 0.096 0.000 0.994 509 G CA 0.853 45.983 45.100 0.049 0.000 0.698 509 G HN 0.541 nan 8.290 nan 0.000 0.521 510 M N -0.901 118.745 119.600 0.078 0.000 2.727 510 M HA 0.617 5.097 4.480 -0.000 0.000 0.300 510 M C 0.020 176.365 176.300 0.075 0.000 1.246 510 M CA -0.873 54.499 55.300 0.120 0.000 0.835 510 M CB 2.421 35.065 32.600 0.074 0.000 1.755 510 M HN 0.300 nan 8.290 nan 0.000 0.473 511 K N 0.656 121.083 120.400 0.046 0.000 2.469 511 K HA 0.707 5.027 4.320 -0.000 0.000 0.254 511 K C -1.390 175.186 176.600 -0.040 0.000 0.939 511 K CA -0.797 55.475 56.287 -0.026 0.000 0.812 511 K CB 2.831 35.246 32.500 -0.141 0.000 1.301 511 K HN 0.813 nan 8.250 nan 0.000 0.433 512 M N 3.657 123.242 119.600 -0.026 0.000 2.952 512 M HA 0.262 4.742 4.480 -0.000 0.000 0.259 512 M C -0.954 175.391 176.300 0.076 0.000 1.306 512 M CA -0.386 54.910 55.300 -0.008 0.000 0.626 512 M CB 0.399 32.989 32.600 -0.017 0.000 1.423 512 M HN 0.673 nan 8.290 nan 0.000 0.459 513 N N 1.062 119.795 118.700 0.055 0.000 2.322 513 N HA 0.245 4.985 4.740 -0.000 0.000 0.194 513 N C 0.772 176.397 175.510 0.192 0.000 1.126 513 N CA 0.894 54.022 53.050 0.131 0.000 0.845 513 N CB 0.710 39.250 38.487 0.089 0.000 0.976 513 N HN 0.799 nan 8.380 nan 0.000 0.475 514 G N 1.518 110.409 108.800 0.152 0.000 2.741 514 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.222 514 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.222 514 G C -2.847 172.004 174.900 -0.082 0.000 1.364 514 G CA -0.770 44.344 45.100 0.024 0.000 0.866 514 G HN 0.122 nan 8.290 nan 0.000 0.555 515 P HA 0.469 nan 4.420 nan 0.000 0.277 515 P C -0.580 176.503 177.300 -0.362 0.000 1.271 515 P CA 0.002 62.980 63.100 -0.203 0.000 0.795 515 P CB 0.549 32.007 31.700 -0.404 0.000 1.101 516 Y N -2.318 118.060 120.300 0.129 0.000 2.666 516 Y HA 0.324 4.874 4.550 -0.000 0.000 0.260 516 Y C 0.585 176.738 175.900 0.422 0.000 1.089 516 Y CA -0.099 58.101 58.100 0.166 0.000 1.246 516 Y CB 0.960 39.488 38.460 0.112 0.000 1.353 516 Y HN 0.247 nan 8.280 nan 0.000 0.558 517 D N -1.816 118.877 120.400 0.488 0.000 2.759 517 D HA 0.083 4.723 4.640 -0.000 0.000 0.321 517 D C -1.310 175.183 176.300 0.322 0.000 1.267 517 D CA -0.819 53.477 54.000 0.494 0.000 0.933 517 D CB 1.268 42.453 40.800 0.641 0.000 1.431 517 D HN -0.161 nan 8.370 nan 0.000 0.504 518 Y N 1.316 121.784 120.300 0.280 0.000 2.721 518 Y HA 0.244 4.794 4.550 -0.000 0.000 0.329 518 Y C -0.014 175.951 175.900 0.108 0.000 1.211 518 Y CA 0.681 58.923 58.100 0.237 0.000 1.512 518 Y CB 0.068 38.699 38.460 0.284 0.000 1.249 518 Y HN 0.112 nan 8.280 nan 0.000 0.549 519 V N 5.740 125.140 119.914 -0.857 0.000 2.925 519 V HA 0.707 4.827 4.120 -0.000 0.000 0.311 519 V C -2.872 172.598 176.094 -1.039 0.000 1.104 519 V CA -2.646 59.166 62.300 -0.815 0.000 0.954 519 V CB 1.989 33.139 31.823 -1.122 0.000 1.022 519 V HN 0.635 nan 8.190 nan 0.000 0.427 520 P HA 0.356 nan 4.420 nan 0.000 0.274 520 P C -2.438 174.818 177.300 -0.072 0.000 1.237 520 P CA -1.568 61.451 63.100 -0.134 0.000 0.793 520 P CB 0.735 32.423 31.700 -0.021 0.000 0.977 521 P HA -0.165 nan 4.420 nan 0.000 0.216 521 P C 1.708 179.134 177.300 0.211 0.000 1.153 521 P CA 0.995 64.163 63.100 0.113 0.000 0.858 521 P CB -0.164 31.362 31.700 -0.290 0.000 0.789 522 V N -1.339 118.628 119.914 0.088 0.000 2.720 522 V HA -0.259 3.861 4.120 -0.000 0.000 0.256 522 V C 2.119 178.366 176.094 0.255 0.000 1.082 522 V CA 1.462 63.895 62.300 0.222 0.000 1.101 522 V CB -1.266 30.618 31.823 0.102 0.000 0.693 522 V HN 0.087 nan 8.190 nan 0.000 0.479 523 Y N -0.338 119.916 120.300 -0.076 0.000 2.151 523 Y HA -0.310 4.240 4.550 -0.000 0.000 0.284 523 Y C 1.925 177.770 175.900 -0.091 0.000 1.166 523 Y CA 2.376 60.364 58.100 -0.186 0.000 1.163 523 Y CB -0.380 37.733 38.460 -0.578 0.000 0.974 523 Y HN 0.432 nan 8.280 nan 0.000 0.511 524 W N -1.505 120.006 121.300 0.351 0.000 2.465 524 W HA -0.169 4.491 4.660 -0.000 0.000 0.268 524 W C 1.407 177.879 176.519 -0.079 0.000 1.242 524 W CA 0.768 58.199 57.345 0.144 0.000 1.248 524 W CB -0.551 28.942 29.460 0.054 0.000 1.118 524 W HN 0.092 nan 8.180 nan 0.000 0.587 525 Y N -0.062 120.386 120.300 0.246 0.000 2.490 525 Y HA 0.017 4.567 4.550 -0.000 0.000 0.281 525 Y C 0.729 176.671 175.900 0.071 0.000 1.174 525 Y CA 0.116 58.303 58.100 0.145 0.000 1.295 525 Y CB -0.499 38.046 38.460 0.142 0.000 1.062 525 Y HN -0.244 nan 8.280 nan 0.000 0.522 526 D N 0.520 121.002 120.400 0.136 0.000 2.389 526 D HA 0.079 4.718 4.640 -0.000 0.000 0.247 526 D C 0.460 176.783 176.300 0.038 0.000 1.128 526 D CA 0.314 54.330 54.000 0.027 0.000 0.884 526 D CB 0.771 41.507 40.800 -0.107 0.000 1.194 526 D HN 0.098 nan 8.370 nan 0.000 0.441 527 K N 1.356 121.715 120.400 -0.068 0.000 2.438 527 K HA 0.039 4.359 4.320 -0.000 0.000 0.206 527 K C 1.456 177.800 176.600 -0.427 0.000 1.081 527 K CA 0.092 56.246 56.287 -0.221 0.000 1.053 527 K CB 0.593 32.993 32.500 -0.167 0.000 0.908 527 K HN 0.431 nan 8.250 nan 0.000 0.556 528 S N 0.446 115.931 115.700 -0.357 0.000 2.436 528 S HA 0.002 4.472 4.470 -0.000 0.000 0.228 528 S C 0.818 175.136 174.600 -0.470 0.000 1.014 528 S CA 0.314 58.282 58.200 -0.387 0.000 0.950 528 S CB 0.095 63.099 63.200 -0.325 0.000 0.784 528 S HN 0.051 nan 8.310 nan 0.000 0.504 529 Q N 1.951 121.414 119.800 -0.562 0.000 2.390 529 Q HA 0.269 4.609 4.340 -0.000 0.000 0.249 529 Q C 0.514 176.368 176.000 -0.242 0.000 0.996 529 Q CA -0.145 55.346 55.803 -0.520 0.000 0.899 529 Q CB 1.531 29.736 28.738 -0.889 0.000 1.216 529 Q HN 0.779 nan 8.270 nan 0.000 0.465 530 K N 0.448 120.718 120.400 -0.216 0.000 2.486 530 K HA -0.019 4.301 4.320 -0.000 0.000 0.194 530 K C -0.117 176.612 176.600 0.214 0.000 1.033 530 K CA 0.757 56.985 56.287 -0.098 0.000 1.004 530 K CB 0.462 32.843 32.500 -0.198 0.000 0.798 530 K HN 0.127 nan 8.250 nan 0.000 0.495 531 D N 0.420 120.889 120.400 0.116 0.000 2.340 531 D HA 0.108 4.747 4.640 -0.000 0.000 0.217 531 D C 0.095 176.491 176.300 0.160 0.000 1.081 531 D CA 0.144 54.227 54.000 0.138 0.000 0.842 531 D CB 0.442 41.291 40.800 0.082 0.000 0.934 531 D HN 0.075 nan 8.370 nan 0.000 0.511 532 R N -0.988 119.620 120.500 0.181 0.000 3.029 532 R HA 0.616 4.956 4.340 -0.000 0.000 0.239 532 R C 0.988 177.353 176.300 0.108 0.000 1.351 532 R CA -0.836 55.358 56.100 0.157 0.000 1.052 532 R CB 0.029 30.368 30.300 0.065 0.000 1.354 532 R HN -0.116 nan 8.270 nan 0.000 0.499 533 G N -0.295 108.597 108.800 0.153 0.000 3.609 533 G HA2 0.216 4.176 3.960 -0.000 0.000 0.280 533 G HA3 0.216 4.176 3.960 -0.000 0.000 0.280 533 G C 0.490 175.444 174.900 0.091 0.000 1.155 533 G CA 0.042 45.196 45.100 0.090 0.000 0.876 533 G HN 0.548 nan 8.290 nan 0.000 0.535 534 G N -0.235 108.521 108.800 -0.073 0.000 2.716 534 G HA2 0.422 4.382 3.960 -0.000 0.000 0.251 534 G HA3 0.422 4.382 3.960 -0.000 0.000 0.251 534 G C 0.647 175.428 174.900 -0.198 0.000 1.224 534 G CA 0.134 45.227 45.100 -0.011 0.000 0.891 534 G HN 0.630 nan 8.290 nan 0.000 0.561 535 A N 1.575 124.236 122.820 -0.264 0.000 2.770 535 A HA 0.495 4.815 4.320 -0.000 0.000 0.292 535 A C -0.105 177.366 177.584 -0.189 0.000 1.604 535 A CA -0.135 51.441 52.037 -0.768 0.000 1.271 535 A CB -1.090 17.458 19.000 -0.754 0.000 1.075 535 A HN 0.978 nan 8.150 nan 0.000 0.573 536 W N 0.278 121.460 121.300 -0.197 0.000 3.464 536 W HA 0.518 5.178 4.660 -0.000 0.000 0.292 536 W C -0.230 176.301 176.519 0.019 0.000 1.262 536 W CA -0.112 57.193 57.345 -0.067 0.000 1.202 536 W CB -0.138 29.281 29.460 -0.069 0.000 1.334 536 W HN 1.242 nan 8.180 nan 0.000 0.561 537 S N 0.726 116.593 115.700 0.278 0.000 3.307 537 S HA -0.298 4.172 4.470 -0.000 0.000 0.634 537 S C -0.901 173.766 174.600 0.112 0.000 2.711 537 S CA 0.869 59.187 58.200 0.196 0.000 2.940 537 S CB -1.199 62.116 63.200 0.192 0.000 0.331 537 S HN 0.941 nan 8.310 nan 0.000 1.766 538 F N 2.635 122.597 119.950 0.019 0.000 2.313 538 F HA 0.461 4.988 4.527 -0.000 0.000 0.369 538 F C 0.422 176.192 175.800 -0.050 0.000 1.109 538 F CA -0.694 57.326 58.000 0.032 0.000 1.132 538 F CB 0.542 39.601 39.000 0.098 0.000 1.291 538 F HN 0.519 nan 8.300 nan 0.000 0.496 539 N N 3.109 121.744 118.700 -0.107 0.000 2.466 539 N HA -0.027 4.712 4.740 -0.000 0.000 0.263 539 N C 1.030 176.508 175.510 -0.053 0.000 1.178 539 N CA 0.202 53.182 53.050 -0.117 0.000 0.983 539 N CB 0.974 39.360 38.487 -0.169 0.000 1.331 539 N HN 0.680 nan 8.380 nan 0.000 0.500 540 S N 1.479 117.256 115.700 0.129 0.000 2.481 540 S HA -0.062 4.408 4.470 -0.000 0.000 0.231 540 S C 0.038 174.568 174.600 -0.117 0.000 0.996 540 S CA 0.359 58.646 58.200 0.145 0.000 0.942 540 S CB -0.199 63.047 63.200 0.077 0.000 0.768 540 S HN 0.671 nan 8.310 nan 0.000 0.520 541 E N -0.931 119.088 120.200 -0.301 0.000 2.782 541 E HA 0.384 4.734 4.350 -0.000 0.000 0.372 541 E C -1.146 175.035 176.600 -0.698 0.000 0.944 541 E CA -0.546 55.512 56.400 -0.571 0.000 0.749 541 E CB 0.311 29.204 29.700 -1.346 0.000 1.453 541 E HN 0.014 nan 8.360 nan 0.000 0.402 542 T N 0.958 115.177 114.554 -0.559 0.000 3.012 542 T HA 0.680 5.030 4.350 -0.000 0.000 0.330 542 T C -1.514 172.865 174.700 -0.536 0.000 1.321 542 T CA 0.236 61.977 62.100 -0.599 0.000 1.067 542 T CB 1.809 70.501 68.868 -0.294 0.000 1.235 542 T HN 0.837 nan 8.240 nan 0.000 0.479 543 S N 1.959 117.407 115.700 -0.420 0.000 2.672 543 S HA 0.775 5.245 4.470 -0.000 0.000 0.271 543 S C 0.123 174.789 174.600 0.110 0.000 1.171 543 S CA -0.207 57.811 58.200 -0.303 0.000 0.817 543 S CB 1.129 63.893 63.200 -0.727 0.000 1.150 543 S HN 1.246 nan 8.310 nan 0.000 0.478 544 A N -0.170 122.808 122.820 0.263 0.000 2.507 544 A HA 0.758 5.078 4.320 -0.000 0.000 0.270 544 A C 1.343 179.143 177.584 0.360 0.000 1.318 544 A CA 0.631 52.821 52.037 0.254 0.000 0.924 544 A CB -1.349 17.770 19.000 0.199 0.000 1.061 544 A HN 2.462 nan 8.150 nan 0.000 0.516 545 G N -0.884 108.148 108.800 0.387 0.000 3.035 545 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.242 545 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.242 545 G C 0.122 175.195 174.900 0.288 0.000 1.524 545 G CA -0.274 45.096 45.100 0.450 0.000 1.038 545 G HN 0.836 nan 8.290 nan 0.000 0.561 546 V N 2.641 122.643 119.914 0.146 0.000 2.694 546 V HA 0.388 4.508 4.120 -0.000 0.000 0.306 546 V C -0.261 175.745 176.094 -0.147 0.000 1.054 546 V CA 1.179 63.389 62.300 -0.149 0.000 1.161 546 V CB 1.260 32.710 31.823 -0.621 0.000 0.916 546 V HN 0.567 nan 8.190 nan 0.000 0.490 547 D N 4.106 124.442 120.400 -0.108 0.000 2.429 547 D HA 0.264 4.904 4.640 -0.000 0.000 0.255 547 D C -0.305 175.957 176.300 -0.064 0.000 1.257 547 D CA -0.439 53.547 54.000 -0.023 0.000 0.890 547 D CB 0.984 41.836 40.800 0.086 0.000 1.267 547 D HN 0.230 nan 8.370 nan 0.000 0.521 548 I N 3.440 123.940 120.570 -0.117 0.000 2.742 548 I HA 0.028 4.198 4.170 -0.000 0.000 0.287 548 I C -1.635 174.482 176.117 0.000 0.000 1.186 548 I CA -1.209 60.063 61.300 -0.046 0.000 1.417 548 I CB -0.390 37.608 38.000 -0.003 0.000 1.377 548 I HN -0.012 nan 8.210 nan 0.000 0.556 549 P HA 0.093 nan 4.420 nan 0.000 0.277 549 P C -0.035 177.285 177.300 0.033 0.000 1.276 549 P CA -0.286 62.820 63.100 0.011 0.000 0.788 549 P CB 0.136 31.833 31.700 -0.005 0.000 1.114 550 T N -2.735 111.841 114.554 0.036 0.000 2.855 550 T HA 0.041 4.391 4.350 -0.000 0.000 0.314 550 T C 1.350 176.076 174.700 0.042 0.000 1.077 550 T CA -0.297 61.827 62.100 0.041 0.000 1.095 550 T CB -0.054 68.835 68.868 0.034 0.000 0.987 550 T HN 0.252 nan 8.240 nan 0.000 0.546 551 M N 0.951 120.572 119.600 0.036 0.000 2.149 551 M HA -0.096 4.384 4.480 -0.000 0.000 0.261 551 M C 1.679 177.993 176.300 0.023 0.000 1.064 551 M CA 1.664 56.981 55.300 0.029 0.000 1.102 551 M CB -1.072 31.536 32.600 0.013 0.000 1.369 551 M HN 0.728 nan 8.290 nan 0.000 0.408 552 D N -1.155 119.255 120.400 0.016 0.000 2.123 552 D HA -0.155 4.485 4.640 -0.000 0.000 0.196 552 D C 1.709 178.016 176.300 0.011 0.000 0.992 552 D CA 2.037 56.038 54.000 0.001 0.000 0.833 552 D CB -0.172 40.623 40.800 -0.009 0.000 0.954 552 D HN 0.420 nan 8.370 nan 0.000 0.455 553 T N 1.449 116.041 114.554 0.063 0.000 2.851 553 T HA -0.016 4.334 4.350 -0.000 0.000 0.262 553 T C 2.301 177.068 174.700 0.111 0.000 1.043 553 T CA 0.150 62.343 62.100 0.156 0.000 1.140 553 T CB -0.200 68.790 68.868 0.204 0.000 0.872 553 T HN 0.079 nan 8.240 nan 0.000 0.446 554 L N 0.693 121.949 121.223 0.055 0.000 2.064 554 L HA -0.233 4.107 4.340 -0.000 0.000 0.216 554 L C 2.549 179.446 176.870 0.044 0.000 1.077 554 L CA 1.633 56.491 54.840 0.029 0.000 0.766 554 L CB -0.469 41.615 42.059 0.042 0.000 0.890 554 L HN 0.246 nan 8.230 nan 0.000 0.435 555 K N -0.656 119.773 120.400 0.049 0.000 2.288 555 K HA -0.074 4.245 4.320 -0.000 0.000 0.201 555 K C 2.101 178.750 176.600 0.081 0.000 1.048 555 K CA 0.689 57.009 56.287 0.056 0.000 0.956 555 K CB 0.050 32.563 32.500 0.021 0.000 0.746 555 K HN 0.305 nan 8.250 nan 0.000 0.461 556 R N 0.295 120.842 120.500 0.079 0.000 2.210 556 R HA 0.072 4.412 4.340 -0.000 0.000 0.203 556 R C 2.147 178.622 176.300 0.292 0.000 1.010 556 R CA 0.813 56.975 56.100 0.104 0.000 1.008 556 R CB 0.108 30.393 30.300 -0.024 0.000 0.923 556 R HN 0.272 nan 8.270 nan 0.000 0.469 557 M N -2.236 117.484 119.600 0.200 0.000 2.491 557 M HA 0.357 4.836 4.480 -0.000 0.000 0.259 557 M C 0.218 176.377 176.300 -0.235 0.000 1.163 557 M CA 0.694 55.986 55.300 -0.014 0.000 1.109 557 M CB 0.894 33.321 32.600 -0.289 0.000 1.353 557 M HN -0.163 nan 8.290 nan 0.000 0.500 558 M N 1.456 121.010 119.600 -0.076 0.000 2.484 558 M HA 0.416 4.896 4.480 -0.000 0.000 0.289 558 M C -0.465 175.847 176.300 0.020 0.000 1.206 558 M CA -0.759 54.430 55.300 -0.185 0.000 0.892 558 M CB 2.831 35.347 32.600 -0.141 0.000 1.712 558 M HN 0.275 nan 8.290 nan 0.000 0.462 559 S N 0.953 116.615 115.700 -0.063 0.000 2.624 559 S HA 0.538 5.007 4.470 -0.000 0.000 0.263 559 S C 1.056 175.696 174.600 0.068 0.000 1.287 559 S CA -0.109 58.153 58.200 0.102 0.000 0.990 559 S CB 1.237 64.474 63.200 0.062 0.000 0.950 559 S HN 0.798 nan 8.310 nan 0.000 0.561 560 A N 1.434 124.303 122.820 0.083 0.000 1.933 560 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 560 A C 2.474 180.088 177.584 0.050 0.000 1.175 560 A CA 2.024 54.102 52.037 0.067 0.000 0.628 560 A CB -1.646 17.392 19.000 0.063 0.000 0.814 560 A HN 1.290 nan 8.150 nan 0.000 0.444 561 S N -0.158 115.559 115.700 0.029 0.000 2.371 561 S HA -0.167 4.303 4.470 -0.000 0.000 0.224 561 S C 1.671 176.257 174.600 -0.023 0.000 1.029 561 S CA 1.306 59.507 58.200 0.001 0.000 0.978 561 S CB -0.487 62.709 63.200 -0.006 0.000 0.833 561 S HN 0.645 nan 8.310 nan 0.000 0.466 562 E N 1.420 121.605 120.200 -0.025 0.000 2.085 562 E HA -0.073 4.277 4.350 -0.000 0.000 0.194 562 E C 2.077 178.659 176.600 -0.031 0.000 0.994 562 E CA 1.525 57.901 56.400 -0.040 0.000 0.801 562 E CB -0.452 29.216 29.700 -0.053 0.000 0.743 562 E HN 0.510 nan 8.360 nan 0.000 0.453 563 L N 0.660 121.887 121.223 0.007 0.000 2.056 563 L HA -0.195 4.144 4.340 -0.000 0.000 0.207 563 L C 2.237 179.167 176.870 0.101 0.000 1.078 563 L CA 1.151 56.025 54.840 0.055 0.000 0.749 563 L CB -0.259 41.852 42.059 0.086 0.000 0.901 563 L HN 0.102 nan 8.230 nan 0.000 0.433 564 D N -0.577 119.866 120.400 0.073 0.000 2.123 564 D HA -0.174 4.466 4.640 -0.000 0.000 0.196 564 D C 2.060 178.154 176.300 -0.343 0.000 0.992 564 D CA 1.594 55.597 54.000 0.004 0.000 0.833 564 D CB 0.146 40.954 40.800 0.014 0.000 0.954 564 D HN 0.145 nan 8.370 nan 0.000 0.455 565 T N 0.016 114.434 114.554 -0.227 0.000 2.821 565 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 565 T C 1.909 176.435 174.700 -0.291 0.000 1.046 565 T CA 1.068 63.011 62.100 -0.261 0.000 1.139 565 T CB -0.280 68.499 68.868 -0.149 0.000 0.871 565 T HN 0.230 nan 8.240 nan 0.000 0.454 566 M N 0.885 120.354 119.600 -0.218 0.000 2.082 566 M HA -0.122 4.358 4.480 -0.000 0.000 0.258 566 M C 2.327 178.352 176.300 -0.458 0.000 1.069 566 M CA 1.929 57.091 55.300 -0.229 0.000 1.102 566 M CB -0.235 32.291 32.600 -0.123 0.000 1.336 566 M HN 0.613 nan 8.290 nan 0.000 0.404 567 W N 0.548 121.472 121.300 -0.627 0.000 2.494 567 W HA -0.003 4.657 4.660 -0.000 0.000 0.286 567 W C 1.416 177.712 176.519 -0.371 0.000 1.218 567 W CA 0.511 57.330 57.345 -0.877 0.000 1.313 567 W CB -0.929 28.129 29.460 -0.669 0.000 1.105 567 W HN 0.158 nan 8.180 nan 0.000 0.561 568 K N 0.669 120.405 120.400 -1.106 0.000 2.155 568 K HA -0.145 4.175 4.320 -0.000 0.000 0.203 568 K C 0.361 176.706 176.600 -0.426 0.000 1.052 568 K CA 1.107 56.832 56.287 -0.936 0.000 0.948 568 K CB -0.245 31.628 32.500 -1.045 0.000 0.728 568 K HN -0.059 nan 8.250 nan 0.000 0.448 569 N N -0.136 118.356 118.700 -0.346 0.000 2.707 569 N HA 0.167 4.906 4.740 -0.000 0.000 0.249 569 N C -2.601 172.835 175.510 -0.124 0.000 1.299 569 N CA -1.839 51.099 53.050 -0.186 0.000 0.769 569 N CB 1.352 39.741 38.487 -0.163 0.000 1.236 569 N HN -0.253 nan 8.380 nan 0.000 0.524 570 P HA -0.022 nan 4.420 nan 0.000 0.222 570 P C 0.779 178.104 177.300 0.040 0.000 1.147 570 P CA 0.882 64.002 63.100 0.034 0.000 0.790 570 P CB 0.397 32.204 31.700 0.180 0.000 0.780 571 S N -0.760 114.948 115.700 0.013 0.000 2.474 571 S HA 0.051 4.521 4.470 -0.000 0.000 0.235 571 S C 1.170 175.766 174.600 -0.007 0.000 0.997 571 S CA 0.402 58.609 58.200 0.010 0.000 0.949 571 S CB -0.714 62.488 63.200 0.003 0.000 0.766 571 S HN 0.188 nan 8.310 nan 0.000 0.517 572 A N 1.939 124.743 122.820 -0.027 0.000 2.462 572 A HA 0.238 4.558 4.320 -0.000 0.000 0.243 572 A C 0.401 177.976 177.584 -0.016 0.000 1.076 572 A CA -0.187 51.831 52.037 -0.031 0.000 0.773 572 A CB 0.115 19.082 19.000 -0.055 0.000 1.010 572 A HN 0.300 nan 8.150 nan 0.000 0.493 573 K N 1.199 121.594 120.400 -0.009 0.000 2.489 573 K HA 0.053 4.372 4.320 -0.000 0.000 0.278 573 K C -0.414 176.193 176.600 0.012 0.000 1.000 573 K CA 0.523 56.812 56.287 0.003 0.000 1.012 573 K CB 0.195 32.703 32.500 0.014 0.000 0.903 573 K HN 0.646 nan 8.250 nan 0.000 0.485 574 Q N 3.053 122.861 119.800 0.013 0.000 2.327 574 Q HA 0.038 4.378 4.340 -0.000 0.000 0.270 574 Q C 0.055 176.096 176.000 0.068 0.000 1.022 574 Q CA -0.303 55.519 55.803 0.032 0.000 0.773 574 Q CB 1.263 29.997 28.738 -0.007 0.000 1.251 574 Q HN 0.652 nan 8.270 nan 0.000 0.457 575 Y N 3.101 123.395 120.300 -0.010 0.000 2.151 575 Y HA -0.241 4.309 4.550 -0.000 0.000 0.284 575 Y C 1.430 177.303 175.900 -0.045 0.000 1.166 575 Y CA 2.072 60.163 58.100 -0.015 0.000 1.163 575 Y CB 0.346 38.797 38.460 -0.016 0.000 0.974 575 Y HN 0.675 nan 8.280 nan 0.000 0.511 576 H N -0.497 118.515 119.070 -0.097 0.000 2.566 576 H HA 0.087 4.643 4.556 -0.000 0.000 0.280 576 H C 1.685 176.863 175.328 -0.250 0.000 1.042 576 H CA 0.528 56.377 56.048 -0.333 0.000 1.168 576 H CB 0.285 29.707 29.762 -0.566 0.000 1.340 576 H HN 0.329 nan 8.280 nan 0.000 0.597 577 R N 0.325 120.725 120.500 -0.167 0.000 1.855 577 R HA 0.132 4.472 4.340 -0.000 0.000 0.168 577 R C 0.084 176.130 176.300 -0.422 0.000 1.791 577 R CA 0.300 56.148 56.100 -0.420 0.000 1.428 577 R CB 0.413 30.465 30.300 -0.412 0.000 1.037 577 R HN 0.011 nan 8.270 nan 0.000 0.483 578 S N -1.527 113.997 115.700 -0.292 0.000 2.541 578 S HA 0.269 4.739 4.470 -0.000 0.000 0.271 578 S C 0.186 174.747 174.600 -0.066 0.000 1.133 578 S CA -0.241 57.862 58.200 -0.162 0.000 0.876 578 S CB 1.701 64.828 63.200 -0.121 0.000 1.105 578 S HN 0.495 nan 8.310 nan 0.000 0.470 579 S N 1.993 117.672 115.700 -0.035 0.000 2.453 579 S HA 0.038 4.508 4.470 -0.000 0.000 0.231 579 S C 1.015 175.642 174.600 0.046 0.000 1.005 579 S CA 0.527 58.727 58.200 0.000 0.000 0.949 579 S CB -0.309 62.885 63.200 -0.010 0.000 0.774 579 S HN 0.636 nan 8.310 nan 0.000 0.510 580 S N 1.515 117.273 115.700 0.096 0.000 2.549 580 S HA 0.074 4.544 4.470 -0.000 0.000 0.286 580 S C 0.664 175.277 174.600 0.021 0.000 1.314 580 S CA -0.452 57.816 58.200 0.113 0.000 1.062 580 S CB 0.263 63.633 63.200 0.284 0.000 0.865 580 S HN 0.294 nan 8.310 nan 0.000 0.498 581 D N 3.419 123.809 120.400 -0.017 0.000 2.178 581 D HA -0.053 4.587 4.640 -0.000 0.000 0.202 581 D C 1.837 178.039 176.300 -0.163 0.000 0.974 581 D CA 1.313 55.279 54.000 -0.057 0.000 0.841 581 D CB -0.369 40.412 40.800 -0.032 0.000 0.953 581 D HN 0.625 nan 8.370 nan 0.000 0.478 582 T N -0.150 114.211 114.554 -0.321 0.000 2.788 582 T HA -0.112 4.238 4.350 -0.000 0.000 0.268 582 T C 0.811 174.978 174.700 -0.888 0.000 1.044 582 T CA 0.795 62.443 62.100 -0.753 0.000 1.139 582 T CB -0.094 68.103 68.868 -1.118 0.000 0.867 582 T HN 0.112 nan 8.240 nan 0.000 0.454 583 F N 0.048 119.935 119.950 -0.104 0.000 2.850 583 F HA 0.495 5.022 4.527 -0.000 0.000 0.329 583 F C 1.658 177.355 175.800 -0.172 0.000 1.182 583 F CA -1.221 56.697 58.000 -0.137 0.000 1.270 583 F CB -0.056 38.849 39.000 -0.158 0.000 0.979 583 F HN 0.059 nan 8.300 nan 0.000 0.506 584 G N 0.098 108.881 108.800 -0.029 0.000 2.623 584 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.214 584 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.214 584 G C 0.543 175.423 174.900 -0.033 0.000 1.138 584 G CA 0.328 45.407 45.100 -0.035 0.000 0.794 584 G HN 0.414 nan 8.290 nan 0.000 0.535 585 N N -1.094 117.595 118.700 -0.018 0.000 3.038 585 N HA 0.441 5.181 4.740 -0.000 0.000 0.307 585 N C -0.094 175.439 175.510 0.038 0.000 1.441 585 N CA -1.026 52.026 53.050 0.003 0.000 0.772 585 N CB 0.610 39.103 38.487 0.010 0.000 1.651 585 N HN -0.112 nan 8.380 nan 0.000 0.593 586 L N -0.682 120.589 121.223 0.080 0.000 3.017 586 L HA 0.395 4.735 4.340 -0.000 0.000 0.255 586 L C 1.725 178.736 176.870 0.237 0.000 1.247 586 L CA -0.307 54.637 54.840 0.174 0.000 1.038 586 L CB -0.075 42.114 42.059 0.216 0.000 1.380 586 L HN 0.668 nan 8.230 nan 0.000 0.548 587 K N 1.488 121.977 120.400 0.149 0.000 1.985 587 K HA -0.122 4.198 4.320 -0.000 0.000 0.210 587 K C 1.974 178.658 176.600 0.139 0.000 1.047 587 K CA 1.545 57.903 56.287 0.120 0.000 0.932 587 K CB 0.005 32.544 32.500 0.064 0.000 0.716 587 K HN 0.291 nan 8.250 nan 0.000 0.439 588 L N 0.206 121.515 121.223 0.144 0.000 2.042 588 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 588 L C 2.517 179.510 176.870 0.205 0.000 1.076 588 L CA 1.496 56.427 54.840 0.152 0.000 0.749 588 L CB -0.529 41.595 42.059 0.108 0.000 0.893 588 L HN 0.277 nan 8.230 nan 0.000 0.432 589 F N 0.688 120.713 119.950 0.126 0.000 2.146 589 F HA -0.094 4.433 4.527 -0.000 0.000 0.298 589 F C 2.197 178.009 175.800 0.021 0.000 1.096 589 F CA 1.596 59.640 58.000 0.072 0.000 1.275 589 F CB -0.450 38.653 39.000 0.170 0.000 1.008 589 F HN -0.048 nan 8.300 nan 0.000 0.480 590 G N -0.413 108.496 108.800 0.182 0.000 2.403 590 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.216 590 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.216 590 G C 1.214 176.113 174.900 -0.003 0.000 1.154 590 G CA 0.890 46.078 45.100 0.146 0.000 0.784 590 G HN 0.318 nan 8.290 nan 0.000 0.538 591 D N 1.250 121.646 120.400 -0.007 0.000 2.097 591 D HA -0.042 4.598 4.640 -0.000 0.000 0.195 591 D C 2.785 178.996 176.300 -0.148 0.000 0.989 591 D CA 1.356 55.322 54.000 -0.056 0.000 0.827 591 D CB -0.463 40.334 40.800 -0.005 0.000 0.966 591 D HN 0.299 nan 8.370 nan 0.000 0.456 592 A N 0.321 123.036 122.820 -0.175 0.000 1.930 592 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 592 A C 2.141 179.564 177.584 -0.269 0.000 1.175 592 A CA 0.768 52.675 52.037 -0.215 0.000 0.627 592 A CB -0.702 17.942 19.000 -0.593 0.000 0.815 592 A HN 0.194 nan 8.150 nan 0.000 0.443 593 L N -0.286 120.696 121.223 -0.402 0.000 1.989 593 L HA -0.157 4.183 4.340 -0.000 0.000 0.211 593 L C 2.638 179.488 176.870 -0.033 0.000 1.071 593 L CA 2.710 57.401 54.840 -0.249 0.000 0.749 593 L CB -0.950 40.812 42.059 -0.495 0.000 0.890 593 L HN 0.382 nan 8.230 nan 0.000 0.431 594 T N -0.617 113.905 114.554 -0.053 0.000 2.652 594 T HA -0.244 4.106 4.350 -0.000 0.000 0.267 594 T C 1.881 176.541 174.700 -0.066 0.000 1.039 594 T CA 1.899 63.992 62.100 -0.013 0.000 1.153 594 T CB -0.168 68.696 68.868 -0.008 0.000 0.863 594 T HN 0.303 nan 8.240 nan 0.000 0.428 595 K N 0.194 120.486 120.400 -0.181 0.000 2.211 595 K HA 0.041 4.361 4.320 -0.000 0.000 0.203 595 K C 2.512 179.036 176.600 -0.128 0.000 1.050 595 K CA 0.855 56.971 56.287 -0.285 0.000 0.945 595 K CB 0.066 32.082 32.500 -0.807 0.000 0.732 595 K HN 0.248 nan 8.250 nan 0.000 0.451 596 R N -0.663 119.806 120.500 -0.051 0.000 2.038 596 R HA 0.047 4.387 4.340 -0.000 0.000 0.214 596 R C 1.548 177.691 176.300 -0.262 0.000 1.249 596 R CA 0.822 56.877 56.100 -0.075 0.000 1.025 596 R CB -0.528 29.749 30.300 -0.039 0.000 0.911 596 R HN 0.044 nan 8.270 nan 0.000 0.456 597 Y N 0.511 120.832 120.300 0.035 0.000 2.725 597 Y HA -0.388 4.162 4.550 -0.000 0.000 0.225 597 Y C 1.279 177.199 175.900 0.034 0.000 1.436 597 Y CA 1.433 59.546 58.100 0.022 0.000 0.920 597 Y CB -1.641 36.825 38.460 0.011 0.000 0.673 597 Y HN 0.493 nan 8.280 nan 0.000 0.564 598 G N -0.632 108.238 108.800 0.116 0.000 2.788 598 G HA2 0.354 4.314 3.960 -0.000 0.000 0.686 598 G HA3 0.354 4.314 3.960 -0.000 0.000 0.686 598 G C -0.295 174.668 174.900 0.104 0.000 1.147 598 G CA -0.700 44.455 45.100 0.091 0.000 0.755 598 G HN 1.190 nan 8.290 nan 0.000 0.634 599 A N 1.701 124.570 122.820 0.082 0.000 2.587 599 A HA 0.538 4.858 4.320 -0.000 0.000 0.233 599 A C 1.219 178.887 177.584 0.140 0.000 1.049 599 A CA 1.255 53.358 52.037 0.110 0.000 0.754 599 A CB 0.096 19.152 19.000 0.092 0.000 0.977 599 A HN 2.024 nan 8.150 nan 0.000 0.509 600 S N 1.210 117.036 115.700 0.210 0.000 2.528 600 S HA 0.378 4.848 4.470 -0.000 0.000 0.277 600 S C 1.349 176.027 174.600 0.131 0.000 1.297 600 S CA -0.007 58.307 58.200 0.191 0.000 1.052 600 S CB 1.451 64.866 63.200 0.359 0.000 0.917 600 S HN 1.098 nan 8.310 nan 0.000 0.492 601 A N 3.248 126.041 122.820 -0.045 0.000 2.072 601 A HA 0.196 4.516 4.320 -0.000 0.000 0.216 601 A C 0.668 178.044 177.584 -0.347 0.000 1.156 601 A CA 0.735 52.717 52.037 -0.092 0.000 0.701 601 A CB -0.454 18.489 19.000 -0.095 0.000 0.816 601 A HN 0.942 nan 8.150 nan 0.000 0.458 602 N N -4.226 113.976 118.700 -0.830 0.000 3.413 602 N HA 0.176 4.916 4.740 -0.000 0.000 0.273 602 N C -0.135 174.411 175.510 -1.607 0.000 1.458 602 N CA -0.222 51.938 53.050 -1.485 0.000 0.860 602 N CB -0.024 38.076 38.487 -0.644 0.000 1.556 602 N HN -0.047 nan 8.380 nan 0.000 0.475 603 L N 0.341 120.687 121.223 -1.461 0.000 1.994 603 L HA 0.069 4.409 4.340 -0.000 0.000 0.208 603 L C 1.273 177.983 176.870 -0.266 0.000 1.071 603 L CA 2.041 56.429 54.840 -0.753 0.000 0.745 603 L CB -1.088 40.790 42.059 -0.301 0.000 0.892 603 L HN 0.634 nan 8.230 nan 0.000 0.431 604 N N -0.082 118.463 118.700 -0.258 0.000 2.149 604 N HA -0.228 4.512 4.740 -0.000 0.000 0.188 604 N C 1.616 177.022 175.510 -0.174 0.000 1.019 604 N CA 1.612 54.559 53.050 -0.171 0.000 0.857 604 N CB -0.602 37.775 38.487 -0.184 0.000 0.997 604 N HN 0.482 nan 8.380 nan 0.000 0.426 605 D N -0.066 120.199 120.400 -0.224 0.000 2.117 605 D HA -0.116 4.524 4.640 -0.000 0.000 0.197 605 D C 1.716 177.984 176.300 -0.052 0.000 0.987 605 D CA 0.512 54.405 54.000 -0.179 0.000 0.829 605 D CB -0.200 40.491 40.800 -0.182 0.000 0.961 605 D HN 0.189 nan 8.370 nan 0.000 0.460 606 F N 0.386 120.249 119.950 -0.145 0.000 2.084 606 F HA -0.134 4.393 4.527 -0.000 0.000 0.296 606 F C 2.135 177.955 175.800 0.033 0.000 1.111 606 F CA 1.129 59.128 58.000 -0.002 0.000 1.224 606 F CB -0.462 38.589 39.000 0.086 0.000 0.991 606 F HN -0.144 nan 8.300 nan 0.000 0.471 607 V N 2.600 122.559 119.914 0.074 0.000 2.407 607 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 607 V C 2.679 178.742 176.094 -0.053 0.000 1.055 607 V CA 2.236 64.541 62.300 0.008 0.000 1.049 607 V CB -1.052 30.824 31.823 0.089 0.000 0.662 607 V HN 0.456 nan 8.190 nan 0.000 0.455 608 R N 0.891 121.353 120.500 -0.063 0.000 2.092 608 R HA -0.150 4.190 4.340 -0.000 0.000 0.231 608 R C 2.095 178.417 176.300 0.037 0.000 1.119 608 R CA 1.710 57.794 56.100 -0.027 0.000 0.970 608 R CB -0.350 29.839 30.300 -0.185 0.000 0.864 608 R HN 0.399 nan 8.270 nan 0.000 0.440 609 K N 0.571 120.933 120.400 -0.065 0.000 2.167 609 K HA 0.123 4.442 4.320 -0.000 0.000 0.203 609 K C 2.239 178.569 176.600 -0.450 0.000 1.052 609 K CA 0.937 57.064 56.287 -0.267 0.000 0.956 609 K CB -0.022 32.345 32.500 -0.222 0.000 0.735 609 K HN 0.253 nan 8.250 nan 0.000 0.451 610 A N 1.484 124.121 122.820 -0.306 0.000 1.908 610 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 610 A C 2.017 179.604 177.584 0.006 0.000 1.181 610 A CA 1.452 53.438 52.037 -0.086 0.000 0.627 610 A CB -0.365 18.579 19.000 -0.092 0.000 0.818 610 A HN 0.177 nan 8.150 nan 0.000 0.445 611 Q N -0.130 119.647 119.800 -0.038 0.000 2.084 611 Q HA -0.062 4.278 4.340 -0.000 0.000 0.202 611 Q C 2.197 178.190 176.000 -0.011 0.000 0.978 611 Q CA 1.177 57.006 55.803 0.043 0.000 0.844 611 Q CB -0.643 28.159 28.738 0.107 0.000 0.898 611 Q HN 0.721 nan 8.270 nan 0.000 0.426 612 L N 0.070 121.118 121.223 -0.291 0.000 2.017 612 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 612 L C 2.567 179.581 176.870 0.240 0.000 1.073 612 L CA 1.363 56.024 54.840 -0.299 0.000 0.745 612 L CB -0.644 40.950 42.059 -0.774 0.000 0.894 612 L HN 0.218 nan 8.230 nan 0.000 0.432 613 S N -0.553 115.138 115.700 -0.016 0.000 2.370 613 S HA -0.264 4.206 4.470 -0.000 0.000 0.226 613 S C 1.931 176.795 174.600 0.440 0.000 1.033 613 S CA 1.625 60.006 58.200 0.302 0.000 1.011 613 S CB -0.044 63.226 63.200 0.118 0.000 0.852 613 S HN 0.419 nan 8.310 nan 0.000 0.457 614 Q N -1.007 119.017 119.800 0.373 0.000 2.046 614 Q HA -0.112 4.228 4.340 -0.000 0.000 0.200 614 Q C 1.924 178.132 176.000 0.346 0.000 0.975 614 Q CA 1.983 58.001 55.803 0.359 0.000 0.836 614 Q CB -0.380 28.521 28.738 0.271 0.000 0.896 614 Q HN 0.785 nan 8.270 nan 0.000 0.428 615 Y N 1.490 121.950 120.300 0.267 0.000 2.070 615 Y HA -0.325 4.225 4.550 -0.000 0.000 0.280 615 Y C 2.440 178.492 175.900 0.253 0.000 1.148 615 Y CA 2.018 60.292 58.100 0.290 0.000 1.125 615 Y CB -0.001 38.719 38.460 0.432 0.000 0.975 615 Y HN 0.143 nan 8.280 nan 0.000 0.492 616 E N -0.056 120.531 120.200 0.645 0.000 2.086 616 E HA -0.322 4.027 4.350 -0.000 0.000 0.200 616 E C 2.050 178.827 176.600 0.296 0.000 1.012 616 E CA 1.613 58.227 56.400 0.356 0.000 0.812 616 E CB -0.375 29.550 29.700 0.375 0.000 0.743 616 E HN 0.512 nan 8.360 nan 0.000 0.453 617 N N -0.065 118.837 118.700 0.337 0.000 2.173 617 N HA -0.112 4.628 4.740 -0.000 0.000 0.184 617 N C 2.030 177.651 175.510 0.186 0.000 1.025 617 N CA 1.235 54.476 53.050 0.319 0.000 0.852 617 N CB 0.046 38.768 38.487 0.392 0.000 0.998 617 N HN 0.060 nan 8.380 nan 0.000 0.427 618 V N 2.044 122.042 119.914 0.141 0.000 2.343 618 V HA -0.192 3.928 4.120 -0.000 0.000 0.247 618 V C 2.674 178.778 176.094 0.016 0.000 1.051 618 V CA 1.588 63.894 62.300 0.010 0.000 1.036 618 V CB -0.587 31.172 31.823 -0.106 0.000 0.654 618 V HN 0.348 nan 8.190 nan 0.000 0.451 619 R N 0.531 121.034 120.500 0.004 0.000 2.082 619 R HA -0.214 4.126 4.340 -0.000 0.000 0.234 619 R C 2.342 178.744 176.300 0.170 0.000 1.136 619 R CA 2.002 58.123 56.100 0.035 0.000 0.935 619 R CB -0.588 29.701 30.300 -0.017 0.000 0.842 619 R HN 0.452 nan 8.270 nan 0.000 0.430 620 A N 0.889 123.863 122.820 0.256 0.000 1.908 620 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 620 A C 2.073 179.663 177.584 0.011 0.000 1.181 620 A CA 1.852 54.111 52.037 0.370 0.000 0.627 620 A CB -0.711 18.593 19.000 0.508 0.000 0.818 620 A HN 0.679 nan 8.150 nan 0.000 0.445 621 E N -1.240 118.697 120.200 -0.438 0.000 2.038 621 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 621 E C 1.702 177.943 176.600 -0.599 0.000 1.000 621 E CA 1.620 57.328 56.400 -1.155 0.000 0.803 621 E CB -0.252 28.509 29.700 -1.566 0.000 0.750 621 E HN 0.605 nan 8.360 nan 0.000 0.448 622 F N 1.179 120.929 119.950 -0.333 0.000 2.113 622 F HA -0.075 4.452 4.527 -0.000 0.000 0.297 622 F C 2.375 178.116 175.800 -0.099 0.000 1.103 622 F CA 1.376 59.237 58.000 -0.232 0.000 1.248 622 F CB -0.239 38.607 39.000 -0.256 0.000 0.999 622 F HN 0.062 nan 8.300 nan 0.000 0.475 623 E N -0.062 120.236 120.200 0.164 0.000 2.118 623 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 623 E C 2.347 179.005 176.600 0.097 0.000 0.992 623 E CA 1.642 58.163 56.400 0.201 0.000 0.804 623 E CB -0.294 29.625 29.700 0.365 0.000 0.741 623 E HN 0.422 nan 8.360 nan 0.000 0.458 624 S N 0.430 116.033 115.700 -0.162 0.000 2.368 624 S HA -0.226 4.244 4.470 -0.000 0.000 0.225 624 S C 1.770 176.252 174.600 -0.197 0.000 1.030 624 S CA 1.445 59.329 58.200 -0.527 0.000 0.999 624 S CB -0.512 62.099 63.200 -0.982 0.000 0.844 624 S HN 0.320 nan 8.310 nan 0.000 0.459 625 H N 1.185 120.156 119.070 -0.165 0.000 2.395 625 H HA 0.228 4.783 4.556 -0.000 0.000 0.299 625 H C 2.569 177.894 175.328 -0.005 0.000 1.070 625 H CA 1.374 57.361 56.048 -0.100 0.000 1.356 625 H CB -0.409 29.232 29.762 -0.202 0.000 1.401 625 H HN 0.372 nan 8.280 nan 0.000 0.524 626 S N -0.096 115.686 115.700 0.136 0.000 2.370 626 S HA -0.179 4.290 4.470 -0.000 0.000 0.226 626 S C 2.118 176.827 174.600 0.181 0.000 1.033 626 S CA 1.201 59.484 58.200 0.137 0.000 1.011 626 S CB -0.058 63.217 63.200 0.125 0.000 0.852 626 S HN 0.380 nan 8.310 nan 0.000 0.457 627 R N 1.180 121.771 120.500 0.153 0.000 2.075 627 R HA 0.006 4.346 4.340 -0.000 0.000 0.232 627 R C 1.004 177.385 176.300 0.135 0.000 1.126 627 R CA 1.345 57.536 56.100 0.152 0.000 0.963 627 R CB -0.206 30.198 30.300 0.173 0.000 0.858 627 R HN 0.249 nan 8.270 nan 0.000 0.435 628 N N -0.048 118.717 118.700 0.109 0.000 2.461 628 N HA -0.110 4.630 4.740 -0.000 0.000 0.188 628 N C 0.805 176.394 175.510 0.133 0.000 1.134 628 N CA 0.298 53.401 53.050 0.089 0.000 0.878 628 N CB -0.099 38.409 38.487 0.035 0.000 0.972 628 N HN 0.331 nan 8.380 nan 0.000 0.456 629 Y N 1.444 121.770 120.300 0.044 0.000 2.314 629 Y HA -0.088 4.462 4.550 -0.000 0.000 0.293 629 Y C 1.649 177.583 175.900 0.057 0.000 1.129 629 Y CA 1.261 59.394 58.100 0.055 0.000 1.201 629 Y CB -0.325 38.171 38.460 0.060 0.000 0.999 629 Y HN 0.048 nan 8.280 nan 0.000 0.541 630 T N -2.180 112.309 114.554 -0.108 0.000 3.145 630 T HA 0.157 4.507 4.350 -0.000 0.000 0.255 630 T C -0.107 174.543 174.700 -0.083 0.000 1.039 630 T CA -0.328 61.663 62.100 -0.182 0.000 0.928 630 T CB -0.448 68.359 68.868 -0.102 0.000 1.029 630 T HN 0.009 nan 8.240 nan 0.000 0.554 631 D N 2.120 122.499 120.400 -0.036 0.000 2.455 631 D HA 0.200 4.840 4.640 -0.000 0.000 0.241 631 D C 1.037 177.318 176.300 -0.032 0.000 1.138 631 D CA -0.025 53.965 54.000 -0.017 0.000 0.877 631 D CB 1.331 42.138 40.800 0.011 0.000 1.187 631 D HN 0.093 nan 8.370 nan 0.000 0.451 632 S N 0.458 116.141 115.700 -0.028 0.000 2.399 632 S HA -0.066 4.404 4.470 -0.000 0.000 0.231 632 S C 0.830 175.418 174.600 -0.020 0.000 1.022 632 S CA 0.900 59.084 58.200 -0.027 0.000 0.983 632 S CB 0.180 63.365 63.200 -0.025 0.000 0.803 632 S HN 0.480 nan 8.310 nan 0.000 0.480 633 T N 2.516 117.059 114.554 -0.019 0.000 2.841 633 T HA 0.358 4.708 4.350 -0.000 0.000 0.285 633 T C -0.233 174.462 174.700 -0.009 0.000 0.991 633 T CA -0.666 61.422 62.100 -0.021 0.000 0.966 633 T CB 1.059 69.902 68.868 -0.042 0.000 0.962 633 T HN 0.137 nan 8.240 nan 0.000 0.438 634 N N 2.629 121.338 118.700 0.015 0.000 2.714 634 N HA -0.104 4.636 4.740 -0.000 0.000 0.253 634 N C -2.619 172.965 175.510 0.124 0.000 1.024 634 N CA 0.245 53.335 53.050 0.067 0.000 0.726 634 N CB -0.279 38.195 38.487 -0.022 0.000 0.908 634 N HN 0.414 nan 8.380 nan 0.000 0.542 635 P HA 0.070 nan 4.420 nan 0.000 0.274 635 P C -0.108 177.303 177.300 0.185 0.000 1.246 635 P CA -0.141 63.031 63.100 0.120 0.000 0.795 635 P CB 0.450 32.191 31.700 0.069 0.000 1.006 636 S N -0.489 115.312 115.700 0.167 0.000 2.549 636 S HA 0.218 4.688 4.470 -0.000 0.000 0.279 636 S C 1.055 175.804 174.600 0.247 0.000 1.321 636 S CA 0.064 58.353 58.200 0.149 0.000 1.054 636 S CB -0.351 62.876 63.200 0.044 0.000 0.899 636 S HN 0.663 nan 8.310 nan 0.000 0.497 637 T N -1.213 113.450 114.554 0.181 0.000 2.975 637 T HA 0.529 4.879 4.350 -0.000 0.000 0.261 637 T C 0.599 175.287 174.700 -0.020 0.000 0.984 637 T CA 0.137 62.386 62.100 0.248 0.000 0.911 637 T CB 0.211 69.293 68.868 0.358 0.000 1.127 637 T HN 1.171 nan 8.240 nan 0.000 0.514 638 G N 0.899 109.428 108.800 -0.453 0.000 2.702 638 G HA2 0.556 4.515 3.960 -0.000 0.000 0.296 638 G HA3 0.556 4.515 3.960 -0.000 0.000 0.296 638 G C -2.570 171.715 174.900 -1.025 0.000 1.463 638 G CA -0.773 43.556 45.100 -1.284 0.000 0.890 638 G HN 0.428 nan 8.290 nan 0.000 0.534 639 L N 2.020 122.757 121.223 -0.812 0.000 2.516 639 L HA 0.715 5.055 4.340 -0.000 0.000 0.267 639 L C -1.425 175.191 176.870 -0.423 0.000 0.957 639 L CA -0.821 53.599 54.840 -0.701 0.000 0.860 639 L CB 1.740 43.224 42.059 -0.958 0.000 1.265 639 L HN 0.431 nan 8.230 nan 0.000 0.403 640 I N 5.345 125.739 120.570 -0.294 0.000 2.390 640 I HA 0.188 4.358 4.170 -0.000 0.000 0.283 640 I C -0.586 175.463 176.117 -0.113 0.000 1.016 640 I CA -0.546 60.709 61.300 -0.075 0.000 1.151 640 I CB 0.994 39.050 38.000 0.092 0.000 1.293 640 I HN 0.661 nan 8.210 nan 0.000 0.458 641 Y N 6.204 126.385 120.300 -0.198 0.000 2.620 641 Y HA -0.040 4.510 4.550 -0.000 0.000 0.330 641 Y C -0.098 175.771 175.900 -0.051 0.000 1.186 641 Y CA 0.298 58.273 58.100 -0.208 0.000 1.467 641 Y CB 0.596 39.003 38.460 -0.088 0.000 1.262 641 Y HN 0.545 nan 8.280 nan 0.000 0.550 642 W N 10.555 131.236 121.300 -1.032 0.000 2.317 642 W HA 0.374 5.033 4.660 -0.000 0.000 0.327 642 W C -1.376 174.580 176.519 -0.939 0.000 1.036 642 W CA -0.686 56.108 57.345 -0.917 0.000 1.419 642 W CB 0.598 29.460 29.460 -0.995 0.000 1.253 642 W HN 0.630 nan 8.180 nan 0.000 0.392 643 M N 3.322 122.571 119.600 -0.585 0.000 2.775 643 M HA 0.199 4.679 4.480 -0.000 0.000 0.296 643 M C 0.932 177.131 176.300 -0.168 0.000 1.248 643 M CA -0.859 54.057 55.300 -0.641 0.000 0.800 643 M CB 1.830 33.732 32.600 -1.164 0.000 1.765 643 M HN 0.282 nan 8.290 nan 0.000 0.472 644 L N 1.581 122.657 121.223 -0.246 0.000 2.056 644 L HA -0.040 4.300 4.340 -0.000 0.000 0.207 644 L C 0.510 177.054 176.870 -0.544 0.000 1.078 644 L CA 1.654 56.363 54.840 -0.218 0.000 0.749 644 L CB -0.088 41.913 42.059 -0.097 0.000 0.901 644 L HN 0.872 nan 8.230 nan 0.000 0.433 645 N N -2.514 115.818 118.700 -0.614 0.000 3.039 645 N HA 0.216 4.956 4.740 -0.000 0.000 0.257 645 N C -1.336 173.878 175.510 -0.494 0.000 1.497 645 N CA -0.333 52.274 53.050 -0.739 0.000 0.861 645 N CB 1.304 39.164 38.487 -1.044 0.000 1.479 645 N HN -0.069 nan 8.380 nan 0.000 0.547 646 S N -1.109 114.373 115.700 -0.363 0.000 2.607 646 S HA 0.618 5.088 4.470 -0.000 0.000 0.303 646 S C -2.020 172.460 174.600 -0.201 0.000 1.086 646 S CA -1.760 56.300 58.200 -0.234 0.000 0.995 646 S CB 1.130 64.254 63.200 -0.127 0.000 1.084 646 S HN 0.440 nan 8.310 nan 0.000 0.507 647 P HA 0.107 nan 4.420 nan 0.000 0.226 647 P C -0.163 177.018 177.300 -0.199 0.000 1.153 647 P CA 0.888 63.813 63.100 -0.291 0.000 0.777 647 P CB -0.031 31.236 31.700 -0.722 0.000 0.794 648 W N -1.846 119.128 121.300 -0.543 0.000 2.798 648 W HA 0.330 4.990 4.660 -0.000 0.000 0.434 648 W C -1.299 174.681 176.519 -0.898 0.000 1.055 648 W CA -0.632 56.142 57.345 -0.951 0.000 1.205 648 W CB -0.667 28.370 29.460 -0.706 0.000 1.460 648 W HN -0.327 nan 8.180 nan 0.000 0.609 649 T N 1.458 115.196 114.554 -1.359 0.000 2.784 649 T HA 0.431 4.781 4.350 -0.000 0.000 0.291 649 T C -0.138 173.978 174.700 -0.974 0.000 0.942 649 T CA 0.243 61.729 62.100 -1.024 0.000 1.161 649 T CB 0.815 69.172 68.868 -0.852 0.000 0.885 649 T HN 0.740 nan 8.240 nan 0.000 0.534 650 S N 2.163 117.536 115.700 -0.544 0.000 2.595 650 S HA 0.570 5.040 4.470 -0.000 0.000 0.281 650 S C 0.368 174.852 174.600 -0.192 0.000 1.117 650 S CA -1.033 56.972 58.200 -0.324 0.000 0.873 650 S CB 1.227 64.372 63.200 -0.092 0.000 1.108 650 S HN 0.722 nan 8.310 nan 0.000 0.477 651 L N 2.611 123.752 121.223 -0.137 0.000 2.693 651 L HA 0.397 4.737 4.340 -0.000 0.000 0.235 651 L C 0.588 177.422 176.870 -0.059 0.000 1.127 651 L CA -0.088 54.684 54.840 -0.112 0.000 0.914 651 L CB -0.259 41.726 42.059 -0.124 0.000 1.193 651 L HN 0.802 nan 8.230 nan 0.000 0.502 652 H N -6.135 112.815 119.070 -0.200 0.000 2.966 652 H HA 0.216 4.772 4.556 -0.000 0.000 0.330 652 H C -1.144 174.142 175.328 -0.071 0.000 1.292 652 H CA -1.226 54.688 56.048 -0.224 0.000 1.127 652 H CB 0.744 30.198 29.762 -0.513 0.000 1.863 652 H HN -0.117 nan 8.280 nan 0.000 0.543 653 W N 1.662 122.802 121.300 -0.267 0.000 6.544 653 W HA -0.190 4.470 4.660 -0.000 0.000 0.423 653 W C -0.943 175.379 176.519 -0.328 0.000 1.688 653 W CA 1.272 58.343 57.345 -0.456 0.000 1.082 653 W CB -2.239 26.672 29.460 -0.914 0.000 2.917 653 W HN 0.893 nan 8.180 nan 0.000 1.481 654 Q N -2.055 117.801 119.800 0.093 0.000 2.479 654 Q HA 0.612 4.952 4.340 -0.000 0.000 0.276 654 Q C -0.308 175.694 176.000 0.005 0.000 0.989 654 Q CA -1.079 54.697 55.803 -0.046 0.000 0.864 654 Q CB 1.068 29.731 28.738 -0.125 0.000 1.444 654 Q HN 0.119 nan 8.270 nan 0.000 0.388 655 L N 0.428 121.581 121.223 -0.116 0.000 2.265 655 L HA 0.310 4.650 4.340 -0.000 0.000 0.195 655 L C 0.649 177.639 176.870 0.200 0.000 1.083 655 L CA 0.435 55.243 54.840 -0.054 0.000 0.798 655 L CB 0.115 42.080 42.059 -0.157 0.000 0.989 655 L HN 0.655 nan 8.230 nan 0.000 0.472 656 F N 0.287 120.373 119.950 0.227 0.000 2.432 656 F HA 0.533 5.060 4.527 -0.000 0.000 0.329 656 F C 0.007 175.845 175.800 0.063 0.000 1.076 656 F CA -1.856 56.255 58.000 0.185 0.000 1.018 656 F CB 0.140 39.344 39.000 0.340 0.000 1.201 656 F HN -0.021 nan 8.300 nan 0.000 0.489 657 D N 1.516 122.043 120.400 0.212 0.000 2.451 657 D HA 0.381 5.020 4.640 -0.000 0.000 0.259 657 D C 1.155 177.488 176.300 0.055 0.000 1.201 657 D CA -0.309 53.712 54.000 0.035 0.000 1.028 657 D CB 0.698 41.490 40.800 -0.014 0.000 1.095 657 D HN 0.755 nan 8.370 nan 0.000 0.539 658 A N -0.680 122.019 122.820 -0.203 0.000 1.986 658 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 658 A C 1.479 178.959 177.584 -0.172 0.000 1.171 658 A CA 1.263 53.127 52.037 -0.290 0.000 0.640 658 A CB -1.081 17.487 19.000 -0.719 0.000 0.811 658 A HN 0.610 nan 8.150 nan 0.000 0.451 659 Y N -2.194 118.172 120.300 0.110 0.000 2.457 659 Y HA 0.266 4.816 4.550 -0.000 0.000 0.263 659 Y C 0.903 176.840 175.900 0.062 0.000 1.164 659 Y CA -0.046 58.109 58.100 0.092 0.000 1.274 659 Y CB 0.187 38.688 38.460 0.069 0.000 1.097 659 Y HN 0.191 nan 8.280 nan 0.000 0.523 660 M N -0.633 119.085 119.600 0.196 0.000 2.965 660 M HA -0.233 4.247 4.480 -0.000 0.000 0.213 660 M C -0.667 175.759 176.300 0.210 0.000 0.564 660 M CA 0.424 55.804 55.300 0.133 0.000 0.784 660 M CB -1.908 30.631 32.600 -0.101 0.000 2.816 660 M HN 0.246 nan 8.290 nan 0.000 0.409 661 D N 1.302 121.806 120.400 0.173 0.000 2.354 661 D HA 0.535 5.175 4.640 -0.000 0.000 0.247 661 D C 0.072 176.336 176.300 -0.060 0.000 1.138 661 D CA 0.362 54.401 54.000 0.066 0.000 0.958 661 D CB 0.717 41.568 40.800 0.085 0.000 1.144 661 D HN 0.363 nan 8.370 nan 0.000 0.458 662 Q N 1.339 121.000 119.800 -0.232 0.000 2.310 662 Q HA 0.318 4.658 4.340 -0.000 0.000 0.270 662 Q C -0.331 175.363 176.000 -0.511 0.000 1.025 662 Q CA -0.947 54.517 55.803 -0.566 0.000 0.772 662 Q CB 1.731 29.882 28.738 -0.977 0.000 1.253 662 Q HN 0.462 nan 8.270 nan 0.000 0.450 663 N N 0.449 118.930 118.700 -0.366 0.000 3.061 663 N HA 0.326 5.066 4.740 -0.000 0.000 0.346 663 N C 0.915 176.356 175.510 -0.115 0.000 1.392 663 N CA -0.181 52.767 53.050 -0.171 0.000 0.762 663 N CB -0.252 38.228 38.487 -0.012 0.000 1.367 663 N HN 0.457 nan 8.380 nan 0.000 0.607 664 G N -0.480 108.435 108.800 0.191 0.000 2.418 664 G HA2 -0.141 3.818 3.960 -0.000 0.000 0.217 664 G HA3 -0.141 3.818 3.960 -0.000 0.000 0.217 664 G C 1.404 176.482 174.900 0.296 0.000 1.158 664 G CA 1.704 47.069 45.100 0.441 0.000 0.771 664 G HN 0.798 nan 8.290 nan 0.000 0.545 665 A N 0.076 122.982 122.820 0.142 0.000 1.883 665 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 665 A C 2.197 179.721 177.584 -0.100 0.000 1.186 665 A CA 1.757 53.810 52.037 0.027 0.000 0.624 665 A CB -0.796 18.219 19.000 0.025 0.000 0.822 665 A HN 0.469 nan 8.150 nan 0.000 0.444 666 Y N -0.816 119.364 120.300 -0.200 0.000 2.097 666 Y HA -0.307 4.243 4.550 -0.000 0.000 0.282 666 Y C 2.257 178.019 175.900 -0.230 0.000 1.152 666 Y CA 2.386 60.330 58.100 -0.261 0.000 1.136 666 Y CB -0.391 37.865 38.460 -0.339 0.000 0.975 666 Y HN 0.398 nan 8.280 nan 0.000 0.498 667 Y N -0.556 119.812 120.300 0.113 0.000 2.314 667 Y HA 0.012 4.562 4.550 -0.000 0.000 0.293 667 Y C 2.589 178.246 175.900 -0.406 0.000 1.129 667 Y CA 0.738 58.848 58.100 0.017 0.000 1.201 667 Y CB -1.248 37.366 38.460 0.257 0.000 0.999 667 Y HN 0.183 nan 8.280 nan 0.000 0.541 668 G N -0.373 108.096 108.800 -0.552 0.000 2.402 668 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.216 668 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.216 668 G C 1.941 176.515 174.900 -0.544 0.000 1.162 668 G CA 0.964 45.467 45.100 -0.995 0.000 0.777 668 G HN 0.451 nan 8.290 nan 0.000 0.539 669 A N 0.774 123.308 122.820 -0.476 0.000 1.873 669 A HA 0.014 4.334 4.320 -0.000 0.000 0.215 669 A C 2.196 179.394 177.584 -0.643 0.000 1.186 669 A CA 2.112 53.772 52.037 -0.629 0.000 0.616 669 A CB -0.456 18.100 19.000 -0.740 0.000 0.823 669 A HN 0.387 nan 8.150 nan 0.000 0.442 670 K N -0.232 119.848 120.400 -0.533 0.000 2.044 670 K HA -0.268 4.052 4.320 -0.000 0.000 0.210 670 K C 2.158 178.585 176.600 -0.289 0.000 1.049 670 K CA 2.027 58.083 56.287 -0.384 0.000 0.927 670 K CB -0.148 32.218 32.500 -0.223 0.000 0.713 670 K HN 0.252 nan 8.250 nan 0.000 0.443 671 K N 0.703 120.957 120.400 -0.243 0.000 2.020 671 K HA -0.126 4.194 4.320 -0.000 0.000 0.212 671 K C 1.752 178.156 176.600 -0.327 0.000 1.050 671 K CA 1.973 58.177 56.287 -0.139 0.000 0.929 671 K CB -0.703 31.754 32.500 -0.071 0.000 0.714 671 K HN 0.269 nan 8.250 nan 0.000 0.443 672 A N 0.374 122.947 122.820 -0.411 0.000 2.015 672 A HA -0.061 4.259 4.320 -0.000 0.000 0.219 672 A C 1.405 178.595 177.584 -0.657 0.000 1.163 672 A CA 1.508 53.243 52.037 -0.503 0.000 0.646 672 A CB -0.331 18.559 19.000 -0.184 0.000 0.806 672 A HN 0.449 nan 8.150 nan 0.000 0.448 673 N N 0.473 118.840 118.700 -0.556 0.000 2.251 673 N HA 0.058 4.798 4.740 -0.000 0.000 0.217 673 N C -0.636 174.691 175.510 -0.305 0.000 1.124 673 N CA -0.025 52.766 53.050 -0.432 0.000 0.843 673 N CB 0.338 38.521 38.487 -0.507 0.000 1.024 673 N HN 0.608 nan 8.380 nan 0.000 0.501 674 E N 1.699 121.714 120.200 -0.309 0.000 2.442 674 E HA -0.042 4.308 4.350 -0.000 0.000 0.262 674 E C -1.240 175.337 176.600 -0.040 0.000 1.004 674 E CA -1.183 55.156 56.400 -0.102 0.000 0.928 674 E CB 0.810 30.549 29.700 0.064 0.000 0.937 674 E HN 0.155 nan 8.360 nan 0.000 0.446 675 P HA -0.127 nan 4.420 nan 0.000 0.220 675 P C -0.020 177.303 177.300 0.039 0.000 1.148 675 P CA 1.010 64.109 63.100 -0.002 0.000 0.803 675 P CB 0.368 32.062 31.700 -0.011 0.000 0.782 676 L N -0.355 120.911 121.223 0.071 0.000 2.471 676 L HA 0.473 4.813 4.340 -0.000 0.000 0.263 676 L C -1.364 175.595 176.870 0.148 0.000 0.985 676 L CA -1.174 53.719 54.840 0.088 0.000 0.868 676 L CB 0.880 42.972 42.059 0.054 0.000 1.203 676 L HN -0.106 nan 8.230 nan 0.000 0.429 677 H N 3.647 122.742 119.070 0.041 0.000 2.637 677 H HA 0.667 5.223 4.556 -0.000 0.000 0.363 677 H C -1.333 174.043 175.328 0.081 0.000 1.131 677 H CA -0.488 55.595 56.048 0.058 0.000 1.183 677 H CB 1.977 31.770 29.762 0.053 0.000 1.637 677 H HN 0.613 nan 8.280 nan 0.000 0.531 678 I N 4.569 124.859 120.570 -0.467 0.000 2.441 678 I HA 0.349 4.519 4.170 -0.000 0.000 0.295 678 I C -1.271 174.617 176.117 -0.382 0.000 0.994 678 I CA -0.365 60.767 61.300 -0.280 0.000 1.144 678 I CB 0.936 38.877 38.000 -0.098 0.000 1.314 678 I HN 0.795 nan 8.210 nan 0.000 0.445 679 Q N 5.937 125.693 119.800 -0.073 0.000 2.456 679 Q HA 0.332 4.672 4.340 -0.000 0.000 0.284 679 Q C -1.965 174.074 176.000 0.065 0.000 1.061 679 Q CA -0.928 54.960 55.803 0.143 0.000 0.799 679 Q CB 2.324 31.245 28.738 0.306 0.000 1.445 679 Q HN 0.668 nan 8.270 nan 0.000 0.411 680 Y N 0.902 121.018 120.300 -0.306 0.000 2.328 680 Y HA 0.408 4.958 4.550 -0.000 0.000 0.337 680 Y C -0.930 174.670 175.900 -0.500 0.000 0.966 680 Y CA -0.524 57.198 58.100 -0.629 0.000 1.136 680 Y CB 1.887 39.528 38.460 -1.365 0.000 1.170 680 Y HN 0.732 nan 8.280 nan 0.000 0.470 681 S N 5.771 120.990 115.700 -0.801 0.000 2.466 681 S HA 0.001 4.471 4.470 -0.000 0.000 0.286 681 S C 0.592 174.504 174.600 -1.147 0.000 1.221 681 S CA -0.143 57.558 58.200 -0.831 0.000 1.091 681 S CB -0.110 62.754 63.200 -0.560 0.000 0.956 681 S HN 0.871 nan 8.310 nan 0.000 0.501 682 H N 1.984 120.483 119.070 -0.951 0.000 2.489 682 H HA -0.112 4.444 4.556 -0.000 0.000 0.293 682 H C 1.941 176.999 175.328 -0.450 0.000 1.066 682 H CA 1.722 57.480 56.048 -0.485 0.000 1.305 682 H CB 0.184 29.854 29.762 -0.154 0.000 1.386 682 H HN 0.678 nan 8.280 nan 0.000 0.551 683 D N 0.124 120.199 120.400 -0.542 0.000 2.144 683 D HA -0.120 4.519 4.640 -0.000 0.000 0.207 683 D C 1.345 177.518 176.300 -0.211 0.000 0.970 683 D CA 1.302 55.152 54.000 -0.250 0.000 0.853 683 D CB -0.395 40.334 40.800 -0.119 0.000 1.007 683 D HN 0.494 nan 8.370 nan 0.000 0.469 684 N N -0.568 117.956 118.700 -0.293 0.000 2.171 684 N HA 0.060 4.800 4.740 -0.000 0.000 0.212 684 N C -0.031 175.306 175.510 -0.288 0.000 1.184 684 N CA -0.206 52.712 53.050 -0.220 0.000 0.888 684 N CB 0.083 38.479 38.487 -0.152 0.000 1.038 684 N HN 0.148 nan 8.380 nan 0.000 0.517 685 R N -0.511 119.682 120.500 -0.512 0.000 3.875 685 R HA -0.158 4.182 4.340 -0.000 0.000 0.321 685 R C -0.631 175.378 176.300 -0.485 0.000 1.196 685 R CA 0.920 56.621 56.100 -0.665 0.000 0.868 685 R CB -3.090 27.086 30.300 -0.206 0.000 1.333 685 R HN 0.559 nan 8.270 nan 0.000 0.522 686 S N -0.370 115.081 115.700 -0.414 0.000 2.580 686 S HA 0.492 4.962 4.470 -0.000 0.000 0.274 686 S C 0.548 175.004 174.600 -0.240 0.000 1.329 686 S CA -0.831 57.226 58.200 -0.238 0.000 1.036 686 S CB 2.237 65.347 63.200 -0.150 0.000 0.919 686 S HN 0.116 nan 8.310 nan 0.000 0.515 687 V N 3.305 123.160 119.914 -0.099 0.000 2.370 687 V HA 0.502 4.622 4.120 -0.000 0.000 0.279 687 V C -0.310 175.773 176.094 -0.017 0.000 1.029 687 V CA -0.542 61.737 62.300 -0.035 0.000 0.870 687 V CB 1.192 33.033 31.823 0.031 0.000 0.984 687 V HN 0.841 nan 8.190 nan 0.000 0.451 688 V N 5.608 125.521 119.914 -0.002 0.000 2.656 688 V HA 0.519 4.638 4.120 -0.000 0.000 0.307 688 V C -0.360 175.758 176.094 0.040 0.000 1.051 688 V CA -0.654 61.662 62.300 0.027 0.000 0.893 688 V CB 2.369 34.222 31.823 0.050 0.000 0.999 688 V HN 0.570 nan 8.190 nan 0.000 0.426 689 V N 5.473 125.414 119.914 0.045 0.000 2.435 689 V HA 0.542 4.662 4.120 -0.000 0.000 0.290 689 V C -0.362 175.783 176.094 0.086 0.000 1.030 689 V CA -0.501 61.830 62.300 0.052 0.000 0.881 689 V CB 1.771 33.616 31.823 0.036 0.000 0.983 689 V HN 0.577 nan 8.190 nan 0.000 0.445 690 I N 3.955 124.598 120.570 0.122 0.000 2.433 690 I HA 0.421 4.591 4.170 -0.000 0.000 0.292 690 I C -0.438 175.750 176.117 0.118 0.000 1.001 690 I CA -0.518 60.865 61.300 0.139 0.000 1.119 690 I CB 1.882 39.991 38.000 0.183 0.000 1.289 690 I HN 0.598 nan 8.210 nan 0.000 0.438 691 N N 5.536 124.293 118.700 0.094 0.000 2.518 691 N HA 0.217 4.957 4.740 -0.000 0.000 0.254 691 N C 0.496 176.044 175.510 0.063 0.000 0.979 691 N CA -0.298 52.794 53.050 0.070 0.000 0.930 691 N CB 1.227 39.748 38.487 0.056 0.000 1.152 691 N HN 0.341 nan 8.380 nan 0.000 0.505 692 Q N 0.491 120.317 119.800 0.043 0.000 2.432 692 Q HA 0.021 4.361 4.340 -0.000 0.000 0.205 692 Q C 0.558 176.562 176.000 0.007 0.000 0.945 692 Q CA 0.382 56.196 55.803 0.019 0.000 0.924 692 Q CB -0.280 28.451 28.738 -0.013 0.000 1.016 692 Q HN 0.778 nan 8.270 nan 0.000 0.503 693 T N -1.311 113.246 114.554 0.005 0.000 2.788 693 T HA 0.140 4.490 4.350 -0.000 0.000 0.287 693 T C 1.265 175.953 174.700 -0.020 0.000 1.007 693 T CA 0.059 62.149 62.100 -0.017 0.000 1.005 693 T CB 1.006 69.861 68.868 -0.021 0.000 1.012 693 T HN 0.130 nan 8.240 nan 0.000 0.530 694 S N 0.150 115.818 115.700 -0.054 0.000 2.593 694 S HA 0.147 4.616 4.470 -0.000 0.000 0.217 694 S C 0.295 174.859 174.600 -0.061 0.000 0.966 694 S CA -0.663 57.495 58.200 -0.070 0.000 0.914 694 S CB -0.542 62.566 63.200 -0.153 0.000 0.776 694 S HN 0.687 nan 8.310 nan 0.000 0.523 695 N N 1.641 120.315 118.700 -0.043 0.000 2.284 695 N HA 0.559 5.299 4.740 -0.000 0.000 0.300 695 N C -0.673 174.832 175.510 -0.008 0.000 1.047 695 N CA -0.344 52.688 53.050 -0.030 0.000 0.821 695 N CB 1.853 40.317 38.487 -0.039 0.000 1.337 695 N HN 0.274 nan 8.380 nan 0.000 0.482 696 A N 1.228 124.047 122.820 -0.001 0.000 2.561 696 A HA 0.303 4.623 4.320 -0.000 0.000 0.234 696 A C 0.087 177.674 177.584 0.004 0.000 1.055 696 A CA 0.143 52.185 52.037 0.008 0.000 0.756 696 A CB 0.136 19.141 19.000 0.009 0.000 0.986 696 A HN 0.409 nan 8.150 nan 0.000 0.505 697 V N 2.170 122.090 119.914 0.010 0.000 2.735 697 V HA 0.677 4.797 4.120 -0.000 0.000 0.310 697 V C 0.269 176.369 176.094 0.010 0.000 1.061 697 V CA 0.062 62.367 62.300 0.008 0.000 0.913 697 V CB 1.885 33.715 31.823 0.012 0.000 1.005 697 V HN 1.276 nan 8.190 nan 0.000 0.428 698 S N 1.270 116.975 115.700 0.007 0.000 2.704 698 S HA 0.825 5.295 4.470 -0.000 0.000 0.296 698 S C 0.592 175.195 174.600 0.006 0.000 1.138 698 S CA -0.189 58.015 58.200 0.007 0.000 0.875 698 S CB 1.663 64.866 63.200 0.005 0.000 1.151 698 S HN 2.366 nan 8.310 nan 0.000 0.500 699 G N 0.136 108.939 108.800 0.005 0.000 2.273 699 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.280 699 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.280 699 G C -0.331 174.572 174.900 0.005 0.000 1.047 699 G CA 0.380 45.483 45.100 0.004 0.000 0.869 699 G HN 0.738 nan 8.290 nan 0.000 0.502 700 L N 0.101 121.328 121.223 0.007 0.000 2.357 700 L HA 0.715 5.054 4.340 -0.000 0.000 0.273 700 L C 0.874 177.748 176.870 0.007 0.000 1.080 700 L CA -0.182 54.663 54.840 0.009 0.000 0.803 700 L CB 1.916 43.983 42.059 0.014 0.000 1.174 700 L HN 0.291 nan 8.230 nan 0.000 0.443 701 T N 1.489 116.047 114.554 0.006 0.000 2.812 701 T HA 0.717 5.067 4.350 -0.000 0.000 0.282 701 T C -0.631 174.071 174.700 0.004 0.000 0.990 701 T CA -0.577 61.525 62.100 0.003 0.000 0.960 701 T CB 1.367 70.234 68.868 -0.002 0.000 0.948 701 T HN 0.668 nan 8.240 nan 0.000 0.438 702 A N 4.022 126.844 122.820 0.003 0.000 2.276 702 A HA 0.683 5.003 4.320 -0.000 0.000 0.316 702 A C 0.282 177.866 177.584 0.000 0.000 1.229 702 A CA -0.595 51.445 52.037 0.006 0.000 0.851 702 A CB 0.791 19.798 19.000 0.011 0.000 1.165 702 A HN 0.837 nan 8.150 nan 0.000 0.513 703 T N 1.789 116.342 114.554 -0.002 0.000 2.797 703 T HA 0.650 4.999 4.350 -0.000 0.000 0.279 703 T C -0.160 174.537 174.700 -0.005 0.000 0.991 703 T CA -0.153 61.937 62.100 -0.017 0.000 0.979 703 T CB 1.300 70.151 68.868 -0.028 0.000 0.943 703 T HN 0.884 nan 8.240 nan 0.000 0.444 704 T N 3.053 117.604 114.554 -0.005 0.000 2.881 704 T HA 0.644 4.994 4.350 -0.000 0.000 0.290 704 T C -1.440 173.266 174.700 0.010 0.000 1.000 704 T CA -0.798 61.325 62.100 0.038 0.000 0.978 704 T CB 0.822 69.759 68.868 0.115 0.000 0.997 704 T HN 0.457 nan 8.240 nan 0.000 0.443 705 K N 3.919 124.314 120.400 -0.010 0.000 2.468 705 K HA 0.524 4.844 4.320 -0.000 0.000 0.252 705 K C -1.061 175.489 176.600 -0.084 0.000 0.932 705 K CA -0.864 55.343 56.287 -0.133 0.000 0.794 705 K CB 2.387 34.711 32.500 -0.294 0.000 1.241 705 K HN 0.552 nan 8.250 nan 0.000 0.428 706 L N 3.437 124.597 121.223 -0.104 0.000 2.295 706 L HA 0.495 4.834 4.340 -0.000 0.000 0.285 706 L C -1.014 175.731 176.870 -0.208 0.000 1.035 706 L CA -0.887 53.943 54.840 -0.017 0.000 0.806 706 L CB 0.536 42.615 42.059 0.034 0.000 1.214 706 L HN 0.526 nan 8.230 nan 0.000 0.426 707 Y N 1.132 121.540 120.300 0.180 0.000 2.446 707 Y HA 0.357 4.907 4.550 -0.000 0.000 0.345 707 Y C 0.338 176.359 175.900 0.202 0.000 0.984 707 Y CA -0.983 57.235 58.100 0.197 0.000 1.058 707 Y CB 1.529 40.183 38.460 0.323 0.000 1.220 707 Y HN 0.504 nan 8.280 nan 0.000 0.455 708 N N 1.137 120.012 118.700 0.293 0.000 2.381 708 N HA 0.225 4.965 4.740 -0.000 0.000 0.254 708 N C 0.847 176.479 175.510 0.203 0.000 1.264 708 N CA -0.244 52.933 53.050 0.211 0.000 0.942 708 N CB 0.706 39.269 38.487 0.126 0.000 1.190 708 N HN 0.687 nan 8.380 nan 0.000 0.495 709 L N 0.219 121.517 121.223 0.125 0.000 2.465 709 L HA -0.095 4.244 4.340 -0.000 0.000 0.224 709 L C 1.054 177.949 176.870 0.043 0.000 1.145 709 L CA 0.816 55.689 54.840 0.054 0.000 0.834 709 L CB -0.391 41.678 42.059 0.017 0.000 0.944 709 L HN 0.574 nan 8.230 nan 0.000 0.451 710 D N -0.664 119.779 120.400 0.070 0.000 2.355 710 D HA -0.009 4.631 4.640 -0.000 0.000 0.218 710 D C 1.458 177.807 176.300 0.081 0.000 1.004 710 D CA 0.915 54.951 54.000 0.060 0.000 0.880 710 D CB 0.242 41.076 40.800 0.056 0.000 0.911 710 D HN 0.222 nan 8.370 nan 0.000 0.528 711 G N -0.654 108.229 108.800 0.138 0.000 2.179 711 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.220 711 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.220 711 G C 0.265 175.365 174.900 0.334 0.000 0.990 711 G CA 0.109 45.332 45.100 0.205 0.000 0.646 711 G HN 0.421 nan 8.290 nan 0.000 0.517 712 T N 1.372 116.077 114.554 0.253 0.000 2.834 712 T HA 0.417 4.767 4.350 -0.000 0.000 0.298 712 T C 0.311 175.140 174.700 0.215 0.000 0.966 712 T CA 0.287 62.507 62.100 0.200 0.000 1.141 712 T CB 1.799 70.732 68.868 0.108 0.000 0.905 712 T HN 0.452 nan 8.240 nan 0.000 0.535 713 E N 2.239 122.509 120.200 0.117 0.000 2.316 713 E HA 0.102 4.452 4.350 -0.000 0.000 0.275 713 E C 0.387 176.905 176.600 -0.136 0.000 1.029 713 E CA -0.538 55.745 56.400 -0.196 0.000 0.871 713 E CB 0.408 29.963 29.700 -0.242 0.000 1.022 713 E HN 0.377 nan 8.360 nan 0.000 0.418 714 K N 3.261 123.557 120.400 -0.173 0.000 2.464 714 K HA 0.084 4.404 4.320 -0.000 0.000 0.206 714 K C -0.751 175.842 176.600 -0.012 0.000 1.186 714 K CA -0.003 56.238 56.287 -0.075 0.000 0.990 714 K CB 0.801 33.261 32.500 -0.067 0.000 1.003 714 K HN 0.554 nan 8.250 nan 0.000 0.562 715 Y N -0.324 119.846 120.300 -0.217 0.000 2.521 715 Y HA 0.422 4.972 4.550 -0.000 0.000 0.332 715 Y C -1.668 174.112 175.900 -0.200 0.000 1.121 715 Y CA -0.810 57.187 58.100 -0.172 0.000 1.037 715 Y CB 1.994 40.372 38.460 -0.137 0.000 1.330 715 Y HN -0.156 nan 8.280 nan 0.000 0.452 716 S N 4.272 119.414 115.700 -0.931 0.000 2.546 716 S HA 0.604 5.074 4.470 -0.000 0.000 0.272 716 S C -2.129 171.955 174.600 -0.860 0.000 1.140 716 S CA -0.585 57.206 58.200 -0.682 0.000 0.920 716 S CB 1.183 64.155 63.200 -0.381 0.000 1.083 716 S HN 0.806 nan 8.310 nan 0.000 0.476 717 N N 1.259 119.665 118.700 -0.489 0.000 2.264 717 N HA 0.615 5.354 4.740 -0.000 0.000 0.288 717 N C -1.765 173.668 175.510 -0.129 0.000 1.094 717 N CA -0.262 52.628 53.050 -0.266 0.000 0.817 717 N CB 2.249 40.684 38.487 -0.085 0.000 1.604 717 N HN 0.436 nan 8.380 nan 0.000 0.473 718 T N 1.915 116.413 114.554 -0.094 0.000 2.812 718 T HA 0.396 4.746 4.350 -0.000 0.000 0.282 718 T C -1.060 173.620 174.700 -0.033 0.000 0.990 718 T CA -0.413 61.654 62.100 -0.055 0.000 0.960 718 T CB 0.961 69.794 68.868 -0.058 0.000 0.948 718 T HN 0.390 nan 8.240 nan 0.000 0.438 719 K N 3.041 123.432 120.400 -0.016 0.000 2.450 719 K HA 0.552 4.872 4.320 -0.000 0.000 0.257 719 K C 0.017 176.614 176.600 -0.005 0.000 0.953 719 K CA -0.516 55.767 56.287 -0.007 0.000 0.844 719 K CB 0.709 33.211 32.500 0.003 0.000 1.103 719 K HN 0.699 nan 8.250 nan 0.000 0.429 720 T N 0.226 114.776 114.554 -0.006 0.000 2.944 720 T HA 0.599 4.949 4.350 -0.000 0.000 0.284 720 T C 0.783 175.482 174.700 -0.001 0.000 1.010 720 T CA -0.144 61.953 62.100 -0.005 0.000 1.025 720 T CB 1.424 70.287 68.868 -0.007 0.000 1.079 720 T HN 1.012 nan 8.240 nan 0.000 0.516 721 G N 0.648 109.448 108.800 0.000 0.000 2.221 721 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.265 721 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.265 721 G C -0.102 174.801 174.900 0.004 0.000 1.041 721 G CA 0.128 45.228 45.100 0.001 0.000 0.807 721 G HN 0.884 nan 8.290 nan 0.000 0.502 722 L N 1.352 122.579 121.223 0.006 0.000 2.331 722 L HA 0.532 4.872 4.340 -0.000 0.000 0.278 722 L C 0.979 177.856 176.870 0.011 0.000 1.106 722 L CA 0.180 55.026 54.840 0.009 0.000 0.824 722 L CB 1.292 43.358 42.059 0.012 0.000 1.142 722 L HN 0.450 nan 8.230 nan 0.000 0.443 723 S N 2.912 118.619 115.700 0.012 0.000 2.536 723 S HA 0.773 5.243 4.470 -0.000 0.000 0.298 723 S C -0.747 173.864 174.600 0.019 0.000 1.083 723 S CA -0.831 57.377 58.200 0.014 0.000 0.995 723 S CB 2.350 65.557 63.200 0.011 0.000 1.058 723 S HN 0.400 nan 8.310 nan 0.000 0.488 724 V N 1.575 121.502 119.914 0.023 0.000 2.733 724 V HA 0.789 4.909 4.120 -0.000 0.000 0.306 724 V C 0.410 176.523 176.094 0.032 0.000 1.084 724 V CA 0.015 62.334 62.300 0.031 0.000 0.905 724 V CB 1.381 33.228 31.823 0.040 0.000 1.010 724 V HN 1.354 nan 8.190 nan 0.000 0.424 725 G N 4.156 112.978 108.800 0.036 0.000 2.699 725 G HA2 0.552 4.512 3.960 -0.000 0.000 0.246 725 G HA3 0.552 4.512 3.960 -0.000 0.000 0.246 725 G C 0.340 175.268 174.900 0.047 0.000 1.219 725 G CA 0.040 45.162 45.100 0.037 0.000 0.866 725 G HN 1.699 nan 8.290 nan 0.000 0.572 726 A N -0.470 122.377 122.820 0.045 0.000 2.366 726 A HA 0.551 4.870 4.320 -0.000 0.000 0.249 726 A C 1.017 178.650 177.584 0.083 0.000 1.084 726 A CA -0.175 51.890 52.037 0.047 0.000 0.794 726 A CB -0.013 19.004 19.000 0.028 0.000 1.034 726 A HN 1.543 nan 8.150 nan 0.000 0.491 727 L N -0.093 121.177 121.223 0.078 0.000 3.598 727 L HA -0.272 4.068 4.340 -0.000 0.000 0.422 727 L C 1.122 178.100 176.870 0.181 0.000 1.262 727 L CA 0.650 55.554 54.840 0.108 0.000 0.889 727 L CB -1.982 40.153 42.059 0.127 0.000 1.857 727 L HN 1.994 nan 8.230 nan 0.000 0.858 728 G N -2.072 106.823 108.800 0.158 0.000 2.184 728 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.206 728 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.206 728 G C 0.441 175.510 174.900 0.281 0.000 0.995 728 G CA 0.024 45.260 45.100 0.227 0.000 0.651 728 G HN 1.295 nan 8.290 nan 0.000 0.511 729 A N 0.205 123.138 122.820 0.189 0.000 2.386 729 A HA 0.668 4.988 4.320 -0.000 0.000 0.246 729 A C 0.632 178.281 177.584 0.108 0.000 1.089 729 A CA 1.172 53.283 52.037 0.124 0.000 0.790 729 A CB 0.348 19.395 19.000 0.078 0.000 1.042 729 A HN 1.396 nan 8.150 nan 0.000 0.497 730 K N -0.840 119.610 120.400 0.083 0.000 2.466 730 K HA 0.827 5.147 4.320 -0.000 0.000 0.260 730 K C -1.044 175.587 176.600 0.052 0.000 1.011 730 K CA -0.475 55.859 56.287 0.078 0.000 0.871 730 K CB 2.202 34.755 32.500 0.090 0.000 1.404 730 K HN 1.196 nan 8.250 nan 0.000 0.450 731 A N 0.809 123.657 122.820 0.047 0.000 2.520 731 A HA 0.492 4.812 4.320 -0.000 0.000 0.298 731 A C -1.120 176.480 177.584 0.026 0.000 1.051 731 A CA -0.790 51.265 52.037 0.031 0.000 0.690 731 A CB 1.866 20.882 19.000 0.026 0.000 1.281 731 A HN 0.604 nan 8.150 nan 0.000 0.402 732 T N 2.266 116.830 114.554 0.016 0.000 2.761 732 T HA 0.443 4.793 4.350 -0.000 0.000 0.296 732 T C 1.434 176.138 174.700 0.008 0.000 0.934 732 T CA 0.471 62.576 62.100 0.007 0.000 1.091 732 T CB 1.307 70.174 68.868 -0.003 0.000 0.896 732 T HN 1.000 nan 8.240 nan 0.000 0.515 733 A N 4.115 126.941 122.820 0.010 0.000 1.861 733 A HA 0.452 4.772 4.320 -0.000 0.000 0.212 733 A C 0.895 178.491 177.584 0.020 0.000 1.199 733 A CA 0.606 52.652 52.037 0.015 0.000 0.613 733 A CB 0.181 19.193 19.000 0.019 0.000 0.846 733 A HN 0.612 nan 8.150 nan 0.000 0.446 734 V N -1.790 118.138 119.914 0.023 0.000 3.204 734 V HA 0.481 4.601 4.120 -0.000 0.000 0.298 734 V C -1.452 174.645 176.094 0.005 0.000 1.328 734 V CA -0.481 61.840 62.300 0.035 0.000 1.035 734 V CB 2.208 34.086 31.823 0.091 0.000 1.095 734 V HN 0.216 nan 8.190 nan 0.000 0.442 735 T N 3.385 117.934 114.554 -0.009 0.000 2.770 735 T HA 0.438 4.788 4.350 -0.000 0.000 0.297 735 T C -0.381 174.277 174.700 -0.070 0.000 0.997 735 T CA -0.209 61.858 62.100 -0.055 0.000 0.949 735 T CB 1.074 69.902 68.868 -0.066 0.000 0.941 735 T HN 0.592 nan 8.240 nan 0.000 0.457 736 V N 8.155 127.999 119.914 -0.115 0.000 2.458 736 V HA 0.116 4.236 4.120 -0.000 0.000 0.287 736 V C -1.304 174.632 176.094 -0.263 0.000 1.009 736 V CA -1.119 61.002 62.300 -0.298 0.000 1.091 736 V CB -0.369 31.308 31.823 -0.243 0.000 0.960 736 V HN 0.710 nan 8.190 nan 0.000 0.476 737 P HA 0.270 nan 4.420 nan 0.000 0.275 737 P C -0.479 176.704 177.300 -0.196 0.000 1.266 737 P CA -0.511 62.482 63.100 -0.178 0.000 0.793 737 P CB 0.818 32.456 31.700 -0.102 0.000 1.074 738 A N 0.663 123.411 122.820 -0.120 0.000 2.492 738 A HA 0.356 4.676 4.320 -0.000 0.000 0.254 738 A C -0.022 177.492 177.584 -0.116 0.000 1.091 738 A CA -0.054 51.918 52.037 -0.108 0.000 0.768 738 A CB -0.581 18.378 19.000 -0.069 0.000 1.028 738 A HN 0.321 nan 8.150 nan 0.000 0.498 739 V N 3.346 123.172 119.914 -0.147 0.000 2.448 739 V HA 0.314 4.434 4.120 -0.000 0.000 0.295 739 V C 0.410 176.431 176.094 -0.121 0.000 1.025 739 V CA -0.534 61.687 62.300 -0.130 0.000 0.859 739 V CB 1.768 33.483 31.823 -0.180 0.000 0.988 739 V HN 0.956 nan 8.190 nan 0.000 0.431 740 S N 2.748 118.402 115.700 -0.077 0.000 2.592 740 S HA 0.515 4.985 4.470 -0.000 0.000 0.271 740 S C 1.217 175.773 174.600 -0.073 0.000 1.326 740 S CA 0.498 58.658 58.200 -0.066 0.000 1.024 740 S CB 1.125 64.302 63.200 -0.040 0.000 0.921 740 S HN 1.673 nan 8.310 nan 0.000 0.527 741 G N 0.876 109.637 108.800 -0.064 0.000 2.159 741 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.256 741 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.256 741 G C -0.038 174.820 174.900 -0.070 0.000 0.977 741 G CA -0.238 44.832 45.100 -0.051 0.000 0.652 741 G HN 0.579 nan 8.290 nan 0.000 0.531 742 L N 2.183 123.326 121.223 -0.133 0.000 2.455 742 L HA 0.362 4.702 4.340 -0.000 0.000 0.272 742 L C 1.593 178.428 176.870 -0.059 0.000 1.174 742 L CA 0.229 54.956 54.840 -0.188 0.000 0.869 742 L CB 0.706 42.457 42.059 -0.512 0.000 1.130 742 L HN 0.485 nan 8.230 nan 0.000 0.474 743 S N 1.032 116.743 115.700 0.019 0.000 2.566 743 S HA 0.006 4.476 4.470 -0.000 0.000 0.280 743 S C 1.234 175.913 174.600 0.133 0.000 1.343 743 S CA -0.347 57.898 58.200 0.075 0.000 1.036 743 S CB 0.976 64.233 63.200 0.096 0.000 0.866 743 S HN 0.689 nan 8.310 nan 0.000 0.526 744 T N 1.932 116.549 114.554 0.106 0.000 2.665 744 T HA -0.083 4.267 4.350 -0.000 0.000 0.268 744 T C 0.805 175.603 174.700 0.164 0.000 1.035 744 T CA 1.859 64.031 62.100 0.120 0.000 1.151 744 T CB -0.660 68.251 68.868 0.072 0.000 0.862 744 T HN 0.819 nan 8.240 nan 0.000 0.438 745 T N 2.388 117.013 114.554 0.118 0.000 2.799 745 T HA 0.565 4.915 4.350 -0.000 0.000 0.286 745 T C -0.672 174.119 174.700 0.151 0.000 0.973 745 T CA -0.759 61.384 62.100 0.071 0.000 1.035 745 T CB 0.565 69.431 68.868 -0.003 0.000 0.932 745 T HN 0.476 nan 8.240 nan 0.000 0.469 746 Y N 0.785 121.100 120.300 0.025 0.000 2.669 746 Y HA 0.831 5.381 4.550 -0.000 0.000 0.335 746 Y C -1.719 174.223 175.900 0.071 0.000 1.116 746 Y CA -1.896 56.230 58.100 0.043 0.000 1.081 746 Y CB 1.073 39.557 38.460 0.040 0.000 1.297 746 Y HN 0.401 nan 8.280 nan 0.000 0.484 747 L N 2.085 123.444 121.223 0.227 0.000 2.334 747 L HA 0.882 5.222 4.340 -0.000 0.000 0.276 747 L C -0.524 176.507 176.870 0.267 0.000 1.014 747 L CA -1.280 53.690 54.840 0.216 0.000 0.815 747 L CB 2.075 44.353 42.059 0.365 0.000 1.268 747 L HN 0.897 nan 8.230 nan 0.000 0.428 748 A N 2.895 125.798 122.820 0.139 0.000 2.287 748 A HA 0.543 4.863 4.320 -0.000 0.000 0.317 748 A C -0.733 176.957 177.584 0.176 0.000 1.220 748 A CA -0.573 51.504 52.037 0.068 0.000 0.835 748 A CB 0.968 19.792 19.000 -0.294 0.000 1.180 748 A HN 0.641 nan 8.150 nan 0.000 0.500 749 K N 3.347 123.818 120.400 0.118 0.000 2.339 749 K HA 0.297 4.616 4.320 -0.000 0.000 0.264 749 K C -1.112 175.513 176.600 0.042 0.000 0.986 749 K CA -0.253 56.062 56.287 0.047 0.000 0.866 749 K CB 0.506 32.832 32.500 -0.291 0.000 1.103 749 K HN 0.867 nan 8.250 nan 0.000 0.441 750 N N 3.077 121.839 118.700 0.103 0.000 2.392 750 N HA 0.311 5.051 4.740 -0.000 0.000 0.283 750 N C -1.474 174.072 175.510 0.061 0.000 1.003 750 N CA -0.723 52.378 53.050 0.084 0.000 0.892 750 N CB 2.152 40.718 38.487 0.132 0.000 1.193 750 N HN 0.123 nan 8.380 nan 0.000 0.487 751 V N 3.004 122.935 119.914 0.029 0.000 2.577 751 V HA 0.365 4.484 4.120 -0.000 0.000 0.303 751 V C -0.727 175.377 176.094 0.016 0.000 1.042 751 V CA -0.733 61.582 62.300 0.026 0.000 0.872 751 V CB 1.986 33.820 31.823 0.019 0.000 0.998 751 V HN 0.460 nan 8.190 nan 0.000 0.423 752 L N 5.262 126.495 121.223 0.017 0.000 2.307 752 L HA 0.861 5.201 4.340 -0.000 0.000 0.284 752 L C 0.226 177.107 176.870 0.019 0.000 1.023 752 L CA 0.413 55.262 54.840 0.014 0.000 0.810 752 L CB 1.895 43.961 42.059 0.011 0.000 1.231 752 L HN 0.902 nan 8.230 nan 0.000 0.423 753 T N 0.345 114.908 114.554 0.015 0.000 2.863 753 T HA 0.658 5.008 4.350 -0.000 0.000 0.285 753 T C -0.414 174.294 174.700 0.013 0.000 1.009 753 T CA -0.818 61.291 62.100 0.015 0.000 0.989 753 T CB 1.339 70.215 68.868 0.013 0.000 1.004 753 T HN 0.641 nan 8.240 nan 0.000 0.455 754 D N 1.465 121.873 120.400 0.014 0.000 2.414 754 D HA 0.214 4.854 4.640 -0.000 0.000 0.251 754 D C 1.650 177.954 176.300 0.007 0.000 1.252 754 D CA -0.142 53.865 54.000 0.011 0.000 0.999 754 D CB 0.273 41.079 40.800 0.011 0.000 1.093 754 D HN 0.539 nan 8.370 nan 0.000 0.515 755 S N -1.081 114.622 115.700 0.006 0.000 2.442 755 S HA -0.202 4.268 4.470 -0.000 0.000 0.236 755 S C 1.665 176.267 174.600 0.003 0.000 1.007 755 S CA 1.001 59.203 58.200 0.003 0.000 0.965 755 S CB -0.923 62.278 63.200 0.002 0.000 0.773 755 S HN 0.595 nan 8.310 nan 0.000 0.504 756 S N 0.153 115.855 115.700 0.004 0.000 2.593 756 S HA 0.473 4.943 4.470 -0.000 0.000 0.217 756 S C 1.491 176.094 174.600 0.005 0.000 0.966 756 S CA 0.375 58.577 58.200 0.003 0.000 0.914 756 S CB -0.416 62.786 63.200 0.003 0.000 0.776 756 S HN 1.473 nan 8.310 nan 0.000 0.523 757 G N 1.138 109.941 108.800 0.006 0.000 2.141 757 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.231 757 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.231 757 G C -0.119 174.788 174.900 0.011 0.000 0.984 757 G CA 0.198 45.303 45.100 0.008 0.000 0.660 757 G HN 0.712 nan 8.290 nan 0.000 0.525 758 K N 0.920 121.328 120.400 0.012 0.000 2.174 758 K HA 0.405 4.725 4.320 -0.000 0.000 0.275 758 K C 0.097 176.709 176.600 0.020 0.000 1.015 758 K CA -0.497 55.800 56.287 0.016 0.000 0.933 758 K CB 0.592 33.100 32.500 0.014 0.000 1.025 758 K HN 0.267 nan 8.250 nan 0.000 0.463 759 E N 3.839 124.054 120.200 0.024 0.000 2.129 759 E HA 0.031 4.381 4.350 -0.000 0.000 0.283 759 E C 0.678 177.299 176.600 0.034 0.000 1.080 759 E CA -0.393 56.024 56.400 0.030 0.000 0.867 759 E CB 0.689 30.410 29.700 0.035 0.000 1.056 759 E HN 0.534 nan 8.360 nan 0.000 0.404 760 V N 1.167 121.101 119.914 0.035 0.000 3.174 760 V HA 0.228 4.348 4.120 -0.000 0.000 0.254 760 V C 0.558 176.687 176.094 0.059 0.000 1.120 760 V CA 0.263 62.588 62.300 0.042 0.000 1.114 760 V CB 0.684 32.529 31.823 0.036 0.000 0.756 760 V HN 0.365 nan 8.190 nan 0.000 0.467 761 S N 0.367 116.102 115.700 0.057 0.000 2.603 761 S HA 0.568 5.038 4.470 -0.000 0.000 0.274 761 S C -0.889 173.748 174.600 0.062 0.000 1.168 761 S CA -0.747 57.496 58.200 0.073 0.000 0.963 761 S CB 1.622 64.855 63.200 0.055 0.000 1.078 761 S HN 0.674 nan 8.310 nan 0.000 0.477 762 R N 3.394 123.946 120.500 0.088 0.000 2.494 762 R HA 0.608 4.948 4.340 -0.000 0.000 0.305 762 R C -1.518 174.866 176.300 0.140 0.000 0.959 762 R CA -0.539 55.624 56.100 0.104 0.000 0.864 762 R CB 0.947 31.312 30.300 0.108 0.000 1.159 762 R HN 0.563 nan 8.270 nan 0.000 0.446 763 N N 3.339 122.134 118.700 0.159 0.000 2.500 763 N HA 0.269 5.008 4.740 -0.000 0.000 0.291 763 N C -1.943 173.714 175.510 0.245 0.000 1.092 763 N CA -0.343 52.824 53.050 0.196 0.000 0.890 763 N CB 2.214 40.825 38.487 0.207 0.000 1.466 763 N HN 0.282 nan 8.380 nan 0.000 0.507 764 V N 4.272 124.312 119.914 0.210 0.000 2.448 764 V HA 0.491 4.611 4.120 -0.000 0.000 0.295 764 V C -0.959 175.215 176.094 0.134 0.000 1.025 764 V CA -0.545 61.950 62.300 0.324 0.000 0.859 764 V CB 1.022 33.147 31.823 0.504 0.000 0.988 764 V HN 0.492 nan 8.190 nan 0.000 0.431 765 Y N 2.881 123.231 120.300 0.084 0.000 2.352 765 Y HA 0.506 5.056 4.550 -0.000 0.000 0.339 765 Y C -0.151 175.702 175.900 -0.078 0.000 0.992 765 Y CA -0.738 57.243 58.100 -0.199 0.000 1.100 765 Y CB 1.521 39.773 38.460 -0.347 0.000 1.192 765 Y HN 0.796 nan 8.280 nan 0.000 0.458 766 W N 4.643 125.989 121.300 0.076 0.000 2.308 766 W HA 0.759 5.419 4.660 -0.000 0.000 0.311 766 W C -1.869 174.566 176.519 -0.140 0.000 1.088 766 W CA -0.853 56.428 57.345 -0.107 0.000 1.309 766 W CB 0.088 29.462 29.460 -0.144 0.000 1.229 766 W HN 0.221 nan 8.180 nan 0.000 0.427 767 L N 3.261 124.288 121.223 -0.326 0.000 2.301 767 L HA 0.695 5.035 4.340 -0.000 0.000 0.264 767 L C 0.083 176.679 176.870 -0.456 0.000 1.016 767 L CA -1.182 53.365 54.840 -0.489 0.000 0.821 767 L CB 2.176 43.720 42.059 -0.858 0.000 1.346 767 L HN 0.523 nan 8.230 nan 0.000 0.429 768 S N -1.544 114.056 115.700 -0.167 0.000 2.536 768 S HA 0.322 4.792 4.470 -0.000 0.000 0.298 768 S C 0.682 175.428 174.600 0.243 0.000 1.083 768 S CA -0.179 58.051 58.200 0.050 0.000 0.995 768 S CB 1.634 64.855 63.200 0.036 0.000 1.058 768 S HN 0.763 nan 8.310 nan 0.000 0.488 769 T N 0.722 115.445 114.554 0.282 0.000 3.035 769 T HA 0.119 4.469 4.350 -0.000 0.000 0.268 769 T C 0.586 175.353 174.700 0.112 0.000 1.109 769 T CA 0.650 62.867 62.100 0.196 0.000 1.119 769 T CB -0.241 68.694 68.868 0.111 0.000 0.900 769 T HN 0.474 nan 8.240 nan 0.000 0.503 770 K N 1.413 121.871 120.400 0.097 0.000 2.213 770 K HA 0.635 4.955 4.320 -0.000 0.000 0.270 770 K C -0.587 176.053 176.600 0.067 0.000 1.002 770 K CA -0.766 55.564 56.287 0.071 0.000 0.868 770 K CB 1.178 33.717 32.500 0.065 0.000 1.093 770 K HN 0.234 nan 8.250 nan 0.000 0.454 771 A N 3.938 126.789 122.820 0.053 0.000 2.316 771 A HA 0.235 4.554 4.320 -0.000 0.000 0.284 771 A C -0.624 176.968 177.584 0.013 0.000 1.115 771 A CA -0.678 51.384 52.037 0.042 0.000 0.812 771 A CB 0.410 19.430 19.000 0.034 0.000 1.064 771 A HN 0.830 nan 8.150 nan 0.000 0.489 772 D N 1.587 121.986 120.400 -0.003 0.000 2.390 772 D HA 0.366 5.006 4.640 -0.000 0.000 0.249 772 D C 0.389 176.629 176.300 -0.101 0.000 1.144 772 D CA 0.975 54.931 54.000 -0.074 0.000 0.880 772 D CB 1.053 41.816 40.800 -0.060 0.000 1.182 772 D HN 0.665 nan 8.370 nan 0.000 0.451 773 T N -0.932 113.517 114.554 -0.175 0.000 2.906 773 T HA 0.651 5.000 4.350 -0.000 0.000 0.295 773 T C -0.354 174.151 174.700 -0.325 0.000 1.075 773 T CA -0.939 61.051 62.100 -0.184 0.000 1.005 773 T CB 1.113 69.912 68.868 -0.115 0.000 1.136 773 T HN 0.111 nan 8.240 nan 0.000 0.498 774 L N 2.369 123.320 121.223 -0.453 0.000 2.309 774 L HA 0.505 4.844 4.340 -0.000 0.000 0.282 774 L C 0.396 176.859 176.870 -0.678 0.000 1.036 774 L CA -0.880 53.494 54.840 -0.776 0.000 0.806 774 L CB 1.219 42.350 42.059 -1.548 0.000 1.220 774 L HN 0.716 nan 8.230 nan 0.000 0.429 775 N N 1.785 120.187 118.700 -0.497 0.000 2.807 775 N HA 0.047 4.787 4.740 -0.000 0.000 0.259 775 N C 0.488 175.845 175.510 -0.254 0.000 1.149 775 N CA -0.058 52.818 53.050 -0.291 0.000 1.042 775 N CB 0.125 38.509 38.487 -0.172 0.000 1.367 775 N HN 0.498 nan 8.380 nan 0.000 0.516 776 W N 1.892 123.147 121.300 -0.075 0.000 2.335 776 W HA -0.046 4.614 4.660 -0.000 0.000 0.311 776 W C 2.306 178.782 176.519 -0.071 0.000 1.213 776 W CA 0.855 58.155 57.345 -0.076 0.000 1.274 776 W CB -0.392 29.028 29.460 -0.068 0.000 1.148 776 W HN 0.531 nan 8.180 nan 0.000 0.498 777 G N 0.083 108.979 108.800 0.159 0.000 2.462 777 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.220 777 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.220 777 G C 1.578 176.499 174.900 0.035 0.000 1.121 777 G CA 1.021 46.173 45.100 0.086 0.000 0.758 777 G HN 0.415 nan 8.290 nan 0.000 0.559 778 G N 0.022 108.814 108.800 -0.014 0.000 3.026 778 G HA2 0.282 4.242 3.960 -0.000 0.000 0.208 778 G HA3 0.282 4.242 3.960 -0.000 0.000 0.208 778 G C 0.686 175.501 174.900 -0.142 0.000 1.169 778 G CA 0.115 45.181 45.100 -0.056 0.000 0.788 778 G HN 0.337 nan 8.290 nan 0.000 0.533 779 S N 0.407 116.038 115.700 -0.115 0.000 2.572 779 S HA 0.236 4.706 4.470 -0.000 0.000 0.279 779 S C -0.138 174.380 174.600 -0.138 0.000 1.341 779 S CA -0.143 57.939 58.200 -0.197 0.000 1.043 779 S CB 1.449 64.647 63.200 -0.003 0.000 0.887 779 S HN 0.333 nan 8.310 nan 0.000 0.516 780 D N 0.220 120.474 120.400 -0.242 0.000 2.525 780 D HA 0.235 4.875 4.640 -0.000 0.000 0.249 780 D C 1.032 177.360 176.300 0.045 0.000 1.072 780 D CA -0.709 53.262 54.000 -0.049 0.000 1.067 780 D CB 0.719 41.429 40.800 -0.150 0.000 1.282 780 D HN 0.742 nan 8.370 nan 0.000 0.587 781 W N 1.204 122.625 121.300 0.202 0.000 2.421 781 W HA -0.168 4.492 4.660 -0.000 0.000 0.270 781 W C 0.722 177.494 176.519 0.421 0.000 1.233 781 W CA 0.596 58.110 57.345 0.282 0.000 1.226 781 W CB -0.766 28.871 29.460 0.295 0.000 1.121 781 W HN 0.428 nan 8.180 nan 0.000 0.579 782 Y N -0.940 119.158 120.300 -0.337 0.000 2.500 782 Y HA 0.404 4.954 4.550 -0.000 0.000 0.246 782 Y C -0.219 175.762 175.900 0.134 0.000 1.146 782 Y CA -0.988 56.972 58.100 -0.234 0.000 1.230 782 Y CB -0.754 37.190 38.460 -0.860 0.000 1.214 782 Y HN 0.020 nan 8.280 nan 0.000 0.526 783 Y N -1.954 118.077 120.300 -0.447 0.000 2.702 783 Y HA 0.678 5.228 4.550 -0.000 0.000 0.336 783 Y C -1.767 173.975 175.900 -0.262 0.000 1.203 783 Y CA -1.437 56.455 58.100 -0.347 0.000 1.072 783 Y CB 1.142 39.418 38.460 -0.307 0.000 1.327 783 Y HN -0.168 nan 8.280 nan 0.000 0.456 784 T N 5.173 119.397 114.554 -0.551 0.000 2.792 784 T HA 0.464 4.814 4.350 -0.000 0.000 0.280 784 T C -2.857 171.498 174.700 -0.576 0.000 0.990 784 T CA -1.480 60.272 62.100 -0.580 0.000 0.960 784 T CB 1.592 70.341 68.868 -0.198 0.000 0.939 784 T HN 0.468 nan 8.240 nan 0.000 0.439 785 P HA 0.208 nan 4.420 nan 0.000 0.274 785 P C -0.819 176.332 177.300 -0.248 0.000 1.246 785 P CA -0.581 62.391 63.100 -0.213 0.000 0.795 785 P CB 0.841 32.470 31.700 -0.119 0.000 1.006 786 Q N -0.104 119.568 119.800 -0.213 0.000 2.256 786 Q HA 0.246 4.586 4.340 -0.000 0.000 0.257 786 Q C 1.040 176.858 176.000 -0.304 0.000 0.936 786 Q CA -0.435 55.111 55.803 -0.427 0.000 0.903 786 Q CB 1.226 29.423 28.738 -0.902 0.000 1.263 786 Q HN 0.461 nan 8.270 nan 0.000 0.440 787 S N 0.238 115.774 115.700 -0.274 0.000 2.501 787 S HA 0.353 4.823 4.470 -0.000 0.000 0.220 787 S C 0.475 175.019 174.600 -0.094 0.000 0.997 787 S CA 0.203 58.319 58.200 -0.139 0.000 0.919 787 S CB 0.430 63.560 63.200 -0.116 0.000 0.778 787 S HN 0.608 nan 8.310 nan 0.000 0.523 788 A N 0.217 122.919 122.820 -0.197 0.000 2.612 788 A HA 0.723 5.043 4.320 -0.000 0.000 0.293 788 A C -1.814 175.616 177.584 -0.256 0.000 1.075 788 A CA -0.810 51.183 52.037 -0.073 0.000 0.680 788 A CB 0.702 19.701 19.000 -0.001 0.000 1.279 788 A HN 0.236 nan 8.150 nan 0.000 0.411 789 F N 1.012 120.963 119.950 0.003 0.000 2.482 789 F HA 0.652 5.179 4.527 -0.000 0.000 0.331 789 F C 0.941 176.740 175.800 -0.002 0.000 1.115 789 F CA -0.147 57.856 58.000 0.006 0.000 0.955 789 F CB 2.015 41.015 39.000 -0.000 0.000 1.136 789 F HN 0.848 nan 8.300 nan 0.000 0.452 790 A N 1.611 124.512 122.820 0.135 0.000 2.555 790 A HA 0.142 4.462 4.320 -0.000 0.000 0.233 790 A C -0.167 177.451 177.584 0.056 0.000 1.060 790 A CA 0.051 52.133 52.037 0.075 0.000 0.759 790 A CB -0.032 18.991 19.000 0.039 0.000 0.995 790 A HN 0.677 nan 8.150 nan 0.000 0.506 791 D N 1.876 122.293 120.400 0.028 0.000 2.473 791 D HA 0.438 5.078 4.640 -0.000 0.000 0.226 791 D C 0.071 176.349 176.300 -0.038 0.000 1.089 791 D CA -0.096 53.905 54.000 0.001 0.000 0.883 791 D CB 0.282 41.099 40.800 0.029 0.000 1.029 791 D HN 0.376 nan 8.370 nan 0.000 0.517 792 L N 2.316 123.465 121.223 -0.123 0.000 2.857 792 L HA 0.091 4.431 4.340 -0.000 0.000 0.249 792 L C 1.928 178.731 176.870 -0.112 0.000 1.172 792 L CA -0.088 54.649 54.840 -0.170 0.000 0.980 792 L CB 0.227 42.044 42.059 -0.404 0.000 1.299 792 L HN 0.247 nan 8.230 nan 0.000 0.535 793 S N -0.703 114.972 115.700 -0.042 0.000 2.515 793 S HA -0.068 4.402 4.470 -0.000 0.000 0.231 793 S C 2.079 176.710 174.600 0.051 0.000 0.987 793 S CA 0.694 58.915 58.200 0.035 0.000 0.936 793 S CB -0.423 62.801 63.200 0.041 0.000 0.766 793 S HN 0.442 nan 8.310 nan 0.000 0.528 794 G N 2.631 111.444 108.800 0.022 0.000 2.469 794 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.220 794 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.220 794 G C 1.312 176.228 174.900 0.026 0.000 1.136 794 G CA 1.068 46.183 45.100 0.024 0.000 0.759 794 G HN 0.559 nan 8.290 nan 0.000 0.562 795 L N 0.270 121.486 121.223 -0.011 0.000 2.129 795 L HA -0.160 4.180 4.340 -0.000 0.000 0.212 795 L C 2.613 179.681 176.870 0.330 0.000 1.087 795 L CA 1.345 56.173 54.840 -0.019 0.000 0.757 795 L CB -0.564 41.297 42.059 -0.330 0.000 0.896 795 L HN 0.239 nan 8.230 nan 0.000 0.434 796 N N 0.002 118.882 118.700 0.301 0.000 2.205 796 N HA -0.162 4.577 4.740 -0.000 0.000 0.186 796 N C 1.176 176.784 175.510 0.164 0.000 1.015 796 N CA 1.150 54.358 53.050 0.264 0.000 0.862 796 N CB -0.092 38.490 38.487 0.159 0.000 0.986 796 N HN 0.363 nan 8.380 nan 0.000 0.429 797 N N 0.312 119.088 118.700 0.126 0.000 2.230 797 N HA 0.043 4.783 4.740 -0.000 0.000 0.202 797 N C -0.314 175.238 175.510 0.071 0.000 1.119 797 N CA -0.209 52.886 53.050 0.076 0.000 0.851 797 N CB 0.270 38.788 38.487 0.051 0.000 0.990 797 N HN 0.177 nan 8.380 nan 0.000 0.497 798 L N 2.071 123.357 121.223 0.105 0.000 2.584 798 L HA 0.166 4.505 4.340 -0.000 0.000 0.272 798 L C 0.915 177.824 176.870 0.064 0.000 1.195 798 L CA -0.035 54.845 54.840 0.067 0.000 0.920 798 L CB -0.014 42.080 42.059 0.059 0.000 1.173 798 L HN 0.063 nan 8.230 nan 0.000 0.489 799 G N 4.405 113.219 108.800 0.023 0.000 2.594 799 G HA2 0.135 4.095 3.960 -0.000 0.000 0.243 799 G HA3 0.135 4.095 3.960 -0.000 0.000 0.243 799 G C -0.307 174.597 174.900 0.007 0.000 1.229 799 G CA -0.627 44.480 45.100 0.010 0.000 0.843 799 G HN 0.707 nan 8.290 nan 0.000 0.578 800 Q N -0.388 119.409 119.800 -0.004 0.000 2.392 800 Q HA 0.272 4.612 4.340 -0.000 0.000 0.262 800 Q C 0.377 176.362 176.000 -0.026 0.000 1.003 800 Q CA 0.139 55.934 55.803 -0.013 0.000 0.888 800 Q CB 1.506 30.230 28.738 -0.024 0.000 1.260 800 Q HN 0.467 nan 8.270 nan 0.000 0.435 801 S N -0.583 115.097 115.700 -0.033 0.000 2.921 801 S HA 0.896 5.366 4.470 -0.000 0.000 0.315 801 S C -1.598 172.974 174.600 -0.046 0.000 1.087 801 S CA -0.043 58.126 58.200 -0.052 0.000 0.877 801 S CB 1.542 64.690 63.200 -0.086 0.000 1.340 801 S HN 0.685 nan 8.310 nan 0.000 0.622 802 A N 0.123 122.912 122.820 -0.052 0.000 2.572 802 A HA 0.774 5.094 4.320 -0.000 0.000 0.295 802 A C -1.582 175.973 177.584 -0.048 0.000 1.072 802 A CA -0.491 51.519 52.037 -0.045 0.000 0.691 802 A CB 1.548 20.527 19.000 -0.035 0.000 1.291 802 A HN 0.973 nan 8.150 nan 0.000 0.404 803 V N 0.769 120.656 119.914 -0.046 0.000 2.686 803 V HA 0.737 4.856 4.120 -0.000 0.000 0.306 803 V C 0.511 176.584 176.094 -0.035 0.000 1.065 803 V CA 1.052 63.325 62.300 -0.044 0.000 0.894 803 V CB 1.590 33.377 31.823 -0.061 0.000 1.004 803 V HN 2.685 nan 8.190 nan 0.000 0.424 804 G N 4.602 113.387 108.800 -0.025 0.000 2.288 804 G HA2 0.264 4.224 3.960 -0.000 0.000 0.205 804 G HA3 0.264 4.224 3.960 -0.000 0.000 0.205 804 G C -0.083 174.807 174.900 -0.016 0.000 1.071 804 G CA 0.091 45.179 45.100 -0.020 0.000 0.788 804 G HN 1.882 nan 8.290 nan 0.000 0.491 805 A N -0.100 122.712 122.820 -0.013 0.000 2.343 805 A HA 0.927 5.247 4.320 -0.000 0.000 0.316 805 A C -0.026 177.560 177.584 0.005 0.000 1.104 805 A CA -0.032 52.002 52.037 -0.006 0.000 0.768 805 A CB 1.873 20.867 19.000 -0.010 0.000 1.213 805 A HN 0.783 nan 8.150 nan 0.000 0.456 806 T N 1.391 115.953 114.554 0.014 0.000 2.879 806 T HA 0.709 5.059 4.350 -0.000 0.000 0.290 806 T C -0.431 174.288 174.700 0.031 0.000 0.993 806 T CA 0.096 62.207 62.100 0.019 0.000 0.975 806 T CB 1.451 70.329 68.868 0.016 0.000 0.981 806 T HN 1.373 nan 8.240 nan 0.000 0.439 807 A N 3.831 126.671 122.820 0.033 0.000 2.435 807 A HA 0.881 5.201 4.320 -0.000 0.000 0.304 807 A C -0.746 176.858 177.584 0.034 0.000 1.064 807 A CA -0.798 51.267 52.037 0.046 0.000 0.727 807 A CB 1.455 20.492 19.000 0.062 0.000 1.284 807 A HN 0.841 nan 8.150 nan 0.000 0.415 808 N N -0.413 118.307 118.700 0.032 0.000 2.591 808 N HA 0.649 5.389 4.740 -0.000 0.000 0.263 808 N C -1.385 174.135 175.510 0.016 0.000 1.308 808 N CA -0.375 52.687 53.050 0.020 0.000 0.837 808 N CB 1.880 40.373 38.487 0.011 0.000 1.548 808 N HN 0.561 nan 8.380 nan 0.000 0.493 809 S N 0.545 116.250 115.700 0.007 0.000 2.548 809 S HA 0.559 5.029 4.470 -0.000 0.000 0.286 809 S C -1.214 173.366 174.600 -0.033 0.000 1.098 809 S CA -0.580 57.614 58.200 -0.010 0.000 0.930 809 S CB 1.988 65.197 63.200 0.015 0.000 1.070 809 S HN 0.285 nan 8.310 nan 0.000 0.480 810 V N 2.011 121.886 119.914 -0.065 0.000 2.444 810 V HA 0.669 4.789 4.120 -0.000 0.000 0.294 810 V C 0.012 176.043 176.094 -0.106 0.000 1.022 810 V CA -0.833 61.425 62.300 -0.071 0.000 0.850 810 V CB 1.330 33.115 31.823 -0.064 0.000 0.992 810 V HN 1.026 nan 8.190 nan 0.000 0.426 811 A N 4.032 126.799 122.820 -0.089 0.000 2.350 811 A HA 0.698 5.018 4.320 -0.000 0.000 0.293 811 A C 0.751 178.282 177.584 -0.089 0.000 1.231 811 A CA 0.250 52.226 52.037 -0.102 0.000 0.883 811 A CB 0.120 19.078 19.000 -0.070 0.000 1.133 811 A HN 1.040 nan 8.150 nan 0.000 0.533 812 G N 0.496 109.233 108.800 -0.106 0.000 2.537 812 G HA2 0.473 4.433 3.960 -0.000 0.000 0.273 812 G HA3 0.473 4.433 3.960 -0.000 0.000 0.273 812 G C 1.013 175.873 174.900 -0.066 0.000 1.189 812 G CA 0.064 45.115 45.100 -0.083 0.000 0.881 812 G HN 1.231 nan 8.290 nan 0.000 0.535 813 A N 0.166 122.955 122.820 -0.052 0.000 2.121 813 A HA 0.004 4.324 4.320 -0.000 0.000 0.218 813 A C 1.755 179.316 177.584 -0.039 0.000 1.154 813 A CA 1.831 53.844 52.037 -0.040 0.000 0.679 813 A CB -0.181 18.800 19.000 -0.032 0.000 0.795 813 A HN 0.631 nan 8.150 nan 0.000 0.458 814 D N -1.994 118.378 120.400 -0.047 0.000 2.328 814 D HA 0.262 4.902 4.640 -0.000 0.000 0.226 814 D C 1.108 177.378 176.300 -0.051 0.000 1.066 814 D CA 0.708 54.681 54.000 -0.045 0.000 0.861 814 D CB -0.662 40.111 40.800 -0.046 0.000 0.912 814 D HN 0.678 nan 8.370 nan 0.000 0.521 815 G N 0.140 108.905 108.800 -0.059 0.000 2.143 815 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.249 815 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.249 815 G C 0.383 175.229 174.900 -0.090 0.000 0.981 815 G CA 0.594 45.657 45.100 -0.061 0.000 0.665 815 G HN 0.841 nan 8.290 nan 0.000 0.528 816 T N -1.936 112.545 114.554 -0.122 0.000 2.925 816 T HA 0.736 5.086 4.350 -0.000 0.000 0.285 816 T C -0.127 174.403 174.700 -0.283 0.000 1.021 816 T CA 0.237 62.219 62.100 -0.198 0.000 1.042 816 T CB 2.552 71.313 68.868 -0.179 0.000 1.037 816 T HN 0.332 nan 8.240 nan 0.000 0.481 817 T N 2.202 116.444 114.554 -0.520 0.000 2.829 817 T HA 0.583 4.933 4.350 -0.000 0.000 0.280 817 T C -0.480 173.817 174.700 -0.672 0.000 0.999 817 T CA -0.586 61.157 62.100 -0.595 0.000 0.983 817 T CB 1.529 70.003 68.868 -0.656 0.000 0.968 817 T HN 0.785 nan 8.240 nan 0.000 0.446 818 T N 2.943 117.276 114.554 -0.367 0.000 2.770 818 T HA 0.483 4.833 4.350 -0.000 0.000 0.283 818 T C -0.148 174.464 174.700 -0.147 0.000 0.988 818 T CA -0.526 61.422 62.100 -0.254 0.000 0.957 818 T CB 1.025 69.795 68.868 -0.163 0.000 0.930 818 T HN 0.477 nan 8.240 nan 0.000 0.443 819 T N 3.528 118.032 114.554 -0.085 0.000 2.758 819 T HA 0.454 4.804 4.350 -0.000 0.000 0.285 819 T C 0.051 174.734 174.700 -0.029 0.000 0.981 819 T CA -0.483 61.612 62.100 -0.008 0.000 0.965 819 T CB 0.892 69.808 68.868 0.080 0.000 0.927 819 T HN 0.479 nan 8.240 nan 0.000 0.448 820 T N 3.228 117.789 114.554 0.011 0.000 2.771 820 T HA 0.556 4.906 4.350 -0.000 0.000 0.281 820 T C -0.145 174.601 174.700 0.077 0.000 0.982 820 T CA -0.644 61.480 62.100 0.040 0.000 0.978 820 T CB 1.028 69.908 68.868 0.020 0.000 0.930 820 T HN 0.548 nan 8.240 nan 0.000 0.447 821 V N 2.084 122.075 119.914 0.127 0.000 2.487 821 V HA 0.741 4.861 4.120 -0.000 0.000 0.298 821 V C -0.383 175.763 176.094 0.086 0.000 1.028 821 V CA -0.445 61.929 62.300 0.124 0.000 0.860 821 V CB 1.822 33.761 31.823 0.192 0.000 0.991 821 V HN 0.787 nan 8.190 nan 0.000 0.427 822 T N 8.097 122.682 114.554 0.052 0.000 2.767 822 T HA 0.649 4.999 4.350 -0.000 0.000 0.284 822 T C -0.293 174.418 174.700 0.017 0.000 0.973 822 T CA -0.182 61.938 62.100 0.034 0.000 0.996 822 T CB 0.779 69.663 68.868 0.027 0.000 0.927 822 T HN 0.682 nan 8.240 nan 0.000 0.456 823 L N 3.506 124.733 121.223 0.007 0.000 2.346 823 L HA 0.661 5.001 4.340 -0.000 0.000 0.276 823 L C -0.031 176.836 176.870 -0.005 0.000 1.006 823 L CA -0.902 53.931 54.840 -0.012 0.000 0.817 823 L CB 1.823 43.859 42.059 -0.039 0.000 1.272 823 L HN 0.446 nan 8.230 nan 0.000 0.421 824 K N 2.314 122.709 120.400 -0.008 0.000 2.482 824 K HA 0.268 4.588 4.320 -0.000 0.000 0.251 824 K C -0.936 175.658 176.600 -0.010 0.000 0.936 824 K CA -0.756 55.531 56.287 -0.000 0.000 0.791 824 K CB 1.822 34.325 32.500 0.005 0.000 1.213 824 K HN 0.481 nan 8.250 nan 0.000 0.428 825 N N 2.777 121.474 118.700 -0.006 0.000 2.406 825 N HA -0.022 4.718 4.740 -0.000 0.000 0.265 825 N C 0.034 175.536 175.510 -0.013 0.000 1.203 825 N CA 0.364 53.401 53.050 -0.021 0.000 0.945 825 N CB 1.003 39.474 38.487 -0.027 0.000 1.165 825 N HN 0.715 nan 8.380 nan 0.000 0.485 826 T N -0.562 113.980 114.554 -0.020 0.000 3.145 826 T HA 0.069 4.419 4.350 -0.000 0.000 0.255 826 T C 0.803 175.494 174.700 -0.015 0.000 1.039 826 T CA -0.582 61.510 62.100 -0.013 0.000 0.928 826 T CB -0.212 68.648 68.868 -0.014 0.000 1.029 826 T HN 0.324 nan 8.240 nan 0.000 0.554 827 S N 0.492 116.179 115.700 -0.023 0.000 2.548 827 S HA 0.474 4.944 4.470 -0.000 0.000 0.277 827 S C 1.435 176.028 174.600 -0.010 0.000 1.315 827 S CA -0.222 57.964 58.200 -0.023 0.000 1.050 827 S CB 0.722 63.898 63.200 -0.040 0.000 0.918 827 S HN 0.453 nan 8.310 nan 0.000 0.497 828 G N 3.012 111.809 108.800 -0.006 0.000 3.124 828 G HA2 0.428 4.388 3.960 -0.000 0.000 0.212 828 G HA3 0.428 4.388 3.960 -0.000 0.000 0.212 828 G C 0.557 175.461 174.900 0.007 0.000 1.181 828 G CA 0.044 45.146 45.100 0.003 0.000 0.803 828 G HN 0.948 nan 8.290 nan 0.000 0.529 829 G N -0.448 108.352 108.800 0.001 0.000 2.940 829 G HA2 0.462 4.422 3.960 -0.000 0.000 0.164 829 G HA3 0.462 4.422 3.960 -0.000 0.000 0.164 829 G C 0.443 175.353 174.900 0.016 0.000 1.326 829 G CA -0.738 44.365 45.100 0.006 0.000 1.020 829 G HN 0.142 nan 8.290 nan 0.000 0.586 830 R N -1.366 119.144 120.500 0.017 0.000 2.472 830 R HA 0.356 4.696 4.340 -0.000 0.000 0.279 830 R C 0.061 176.349 176.300 -0.021 0.000 0.953 830 R CA -0.184 55.943 56.100 0.044 0.000 1.088 830 R CB 0.135 30.486 30.300 0.084 0.000 1.197 830 R HN 0.190 nan 8.270 nan 0.000 0.536 831 L N 3.301 124.471 121.223 -0.089 0.000 2.290 831 L HA 0.340 4.680 4.340 -0.000 0.000 0.284 831 L C -2.014 174.624 176.870 -0.387 0.000 1.078 831 L CA -2.120 52.603 54.840 -0.194 0.000 0.815 831 L CB 0.925 42.911 42.059 -0.122 0.000 1.162 831 L HN -0.171 nan 8.230 nan 0.000 0.435 832 P HA 0.022 nan 4.420 nan 0.000 0.268 832 P C -0.783 176.224 177.300 -0.488 0.000 1.205 832 P CA -0.363 62.097 63.100 -1.067 0.000 0.771 832 P CB 0.893 31.499 31.700 -1.824 0.000 0.858 833 A N 4.314 126.930 122.820 -0.339 0.000 2.376 833 A HA 0.295 4.615 4.320 -0.000 0.000 0.298 833 A C -0.488 177.025 177.584 -0.118 0.000 1.271 833 A CA -0.296 51.645 52.037 -0.160 0.000 0.926 833 A CB -1.053 17.875 19.000 -0.120 0.000 1.141 833 A HN 0.502 nan 8.150 nan 0.000 0.539 834 F N 3.441 123.269 119.950 -0.204 0.000 2.415 834 F HA 0.463 4.990 4.527 -0.000 0.000 0.348 834 F C -0.042 175.741 175.800 -0.029 0.000 1.119 834 F CA -0.868 57.029 58.000 -0.170 0.000 1.069 834 F CB 0.392 39.261 39.000 -0.218 0.000 1.124 834 F HN 0.660 nan 8.300 nan 0.000 0.472 835 Y N 4.092 123.861 120.300 -0.885 0.000 3.038 835 Y HA -0.161 4.389 4.550 -0.000 0.000 0.176 835 Y C -1.364 174.264 175.900 -0.453 0.000 1.628 835 Y CA 0.219 57.789 58.100 -0.884 0.000 1.020 835 Y CB -1.317 36.297 38.460 -1.409 0.000 1.423 835 Y HN 0.382 nan 8.280 nan 0.000 0.418 836 V N 3.670 123.293 119.914 -0.485 0.000 2.364 836 V HA 0.275 4.395 4.120 -0.000 0.000 0.272 836 V C 0.179 175.968 176.094 -0.509 0.000 1.036 836 V CA -0.324 61.751 62.300 -0.375 0.000 0.880 836 V CB 1.543 33.217 31.823 -0.248 0.000 0.991 836 V HN 0.454 nan 8.190 nan 0.000 0.460 837 D N 3.458 123.588 120.400 -0.450 0.000 2.344 837 D HA 0.432 5.072 4.640 -0.000 0.000 0.239 837 D C -0.476 175.600 176.300 -0.374 0.000 1.064 837 D CA -0.105 53.605 54.000 -0.484 0.000 0.829 837 D CB 1.841 42.450 40.800 -0.319 0.000 1.129 837 D HN 0.480 nan 8.370 nan 0.000 0.506 838 S N 3.532 118.919 115.700 -0.522 0.000 2.472 838 S HA 0.525 4.995 4.470 -0.000 0.000 0.303 838 S C -0.330 174.090 174.600 -0.300 0.000 1.099 838 S CA -0.908 57.048 58.200 -0.407 0.000 1.077 838 S CB 1.586 64.477 63.200 -0.516 0.000 1.031 838 S HN 0.261 nan 8.310 nan 0.000 0.487 839 K N 2.001 122.407 120.400 0.010 0.000 2.397 839 K HA 0.387 4.707 4.320 -0.000 0.000 0.253 839 K C -1.011 175.719 176.600 0.217 0.000 0.932 839 K CA -0.687 55.702 56.287 0.171 0.000 0.795 839 K CB 2.204 34.742 32.500 0.062 0.000 1.159 839 K HN 0.385 nan 8.250 nan 0.000 0.424 840 V N 3.690 123.747 119.914 0.239 0.000 2.485 840 V HA 0.081 4.201 4.120 -0.000 0.000 0.287 840 V C 0.446 176.489 176.094 -0.085 0.000 1.022 840 V CA -0.325 61.954 62.300 -0.035 0.000 1.067 840 V CB 0.566 32.152 31.823 -0.395 0.000 0.967 840 V HN 0.548 nan 8.190 nan 0.000 0.479 841 V N 1.941 121.815 119.914 -0.066 0.000 3.001 841 V HA 0.817 4.937 4.120 -0.000 0.000 0.314 841 V C -0.400 175.657 176.094 -0.062 0.000 1.099 841 V CA -1.049 61.214 62.300 -0.061 0.000 0.989 841 V CB 2.144 33.948 31.823 -0.031 0.000 1.040 841 V HN 0.767 nan 8.190 nan 0.000 0.434 842 D N 1.404 121.771 120.400 -0.054 0.000 2.440 842 D HA 0.252 4.891 4.640 -0.000 0.000 0.269 842 D C 1.399 177.683 176.300 -0.025 0.000 1.249 842 D CA 0.220 54.199 54.000 -0.036 0.000 1.055 842 D CB 0.550 41.329 40.800 -0.035 0.000 1.104 842 D HN 0.834 nan 8.370 nan 0.000 0.561 843 S N -1.793 113.896 115.700 -0.019 0.000 2.507 843 S HA -0.014 4.456 4.470 -0.000 0.000 0.235 843 S C 1.665 176.253 174.600 -0.019 0.000 0.988 843 S CA 0.466 58.656 58.200 -0.015 0.000 0.944 843 S CB -0.646 62.548 63.200 -0.011 0.000 0.762 843 S HN 0.646 nan 8.310 nan 0.000 0.526 844 A N 0.490 123.295 122.820 -0.024 0.000 2.275 844 A HA 0.618 4.938 4.320 -0.000 0.000 0.212 844 A C 1.725 179.291 177.584 -0.030 0.000 1.201 844 A CA 0.393 52.414 52.037 -0.027 0.000 0.843 844 A CB -0.871 18.110 19.000 -0.031 0.000 0.873 844 A HN 1.442 nan 8.150 nan 0.000 0.492 845 G N -0.473 108.309 108.800 -0.030 0.000 2.159 845 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.256 845 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.256 845 G C 0.265 175.144 174.900 -0.035 0.000 0.977 845 G CA 0.599 45.681 45.100 -0.030 0.000 0.652 845 G HN 0.696 nan 8.290 nan 0.000 0.531 846 K N 1.640 122.015 120.400 -0.042 0.000 2.339 846 K HA 0.531 4.851 4.320 -0.000 0.000 0.286 846 K C -2.080 174.488 176.600 -0.053 0.000 1.050 846 K CA -1.976 54.280 56.287 -0.052 0.000 0.956 846 K CB 0.653 33.116 32.500 -0.061 0.000 0.990 846 K HN 0.056 nan 8.250 nan 0.000 0.475 847 P HA -0.085 nan 4.420 nan 0.000 0.264 847 P C -0.975 176.282 177.300 -0.071 0.000 1.183 847 P CA -0.174 62.900 63.100 -0.044 0.000 0.763 847 P CB 0.548 32.238 31.700 -0.016 0.000 0.807 848 V N 5.516 125.358 119.914 -0.121 0.000 2.385 848 V HA 0.284 4.404 4.120 -0.000 0.000 0.269 848 V C 0.397 176.411 176.094 -0.134 0.000 1.043 848 V CA 0.094 62.292 62.300 -0.169 0.000 0.906 848 V CB -0.017 31.602 31.823 -0.341 0.000 0.995 848 V HN 0.342 nan 8.190 nan 0.000 0.467 849 L N 7.329 128.519 121.223 -0.055 0.000 2.422 849 L HA 0.620 4.960 4.340 -0.000 0.000 0.264 849 L C -2.340 174.533 176.870 0.006 0.000 0.984 849 L CA -1.692 53.150 54.840 0.002 0.000 0.819 849 L CB 2.882 44.964 42.059 0.038 0.000 1.330 849 L HN 0.423 nan 8.230 nan 0.000 0.410 850 P HA 0.345 nan 4.420 nan 0.000 0.276 850 P C -1.261 176.109 177.300 0.116 0.000 1.261 850 P CA -0.411 62.724 63.100 0.060 0.000 0.800 850 P CB 2.451 34.088 31.700 -0.106 0.000 1.066 851 V N -0.172 119.860 119.914 0.195 0.000 3.012 851 V HA 0.355 4.475 4.120 -0.000 0.000 0.307 851 V C -1.433 174.677 176.094 0.028 0.000 1.166 851 V CA -0.585 61.752 62.300 0.061 0.000 0.974 851 V CB 2.340 34.128 31.823 -0.058 0.000 1.040 851 V HN 0.577 nan 8.190 nan 0.000 0.428 852 E N 4.851 125.014 120.200 -0.061 0.000 2.255 852 E HA 0.320 4.670 4.350 -0.000 0.000 0.256 852 E C -1.835 174.705 176.600 -0.101 0.000 0.887 852 E CA -0.316 56.065 56.400 -0.031 0.000 0.782 852 E CB 1.729 31.444 29.700 0.025 0.000 1.214 852 E HN 0.616 nan 8.360 nan 0.000 0.417 853 W N 2.954 124.270 121.300 0.027 0.000 2.381 853 W HA 0.151 4.811 4.660 -0.000 0.000 0.329 853 W C 1.785 178.317 176.519 0.022 0.000 1.157 853 W CA -0.555 56.807 57.345 0.028 0.000 1.240 853 W CB 0.588 30.061 29.460 0.021 0.000 1.199 853 W HN 0.500 nan 8.180 nan 0.000 0.579 854 N N 0.783 119.633 118.700 0.250 0.000 2.188 854 N HA -0.110 4.630 4.740 -0.000 0.000 0.184 854 N C -0.026 175.570 175.510 0.144 0.000 1.018 854 N CA 1.877 55.017 53.050 0.151 0.000 0.858 854 N CB -0.473 38.079 38.487 0.108 0.000 0.989 854 N HN 0.556 nan 8.380 nan 0.000 0.426 855 D N -1.344 119.159 120.400 0.172 0.000 2.653 855 D HA 0.561 5.201 4.640 -0.000 0.000 0.258 855 D C -1.448 174.787 176.300 -0.108 0.000 1.252 855 D CA -0.628 53.402 54.000 0.050 0.000 0.777 855 D CB 1.476 42.292 40.800 0.025 0.000 1.339 855 D HN 0.210 nan 8.370 nan 0.000 0.422 856 N N -1.548 116.959 118.700 -0.321 0.000 3.261 856 N HA 0.674 5.414 4.740 -0.000 0.000 0.248 856 N C -0.517 174.547 175.510 -0.744 0.000 1.498 856 N CA 0.761 53.377 53.050 -0.724 0.000 0.884 856 N CB 1.690 39.468 38.487 -1.182 0.000 1.428 856 N HN 1.941 nan 8.380 nan 0.000 0.517 857 A N -0.178 122.063 122.820 -0.965 0.000 2.560 857 A HA -0.124 4.196 4.320 -0.000 0.000 0.299 857 A C 0.366 177.589 177.584 -0.602 0.000 1.484 857 A CA 1.061 52.524 52.037 -0.957 0.000 0.749 857 A CB -2.455 15.939 19.000 -1.010 0.000 1.072 857 A HN 1.121 nan 8.150 nan 0.000 0.426 858 V N -2.216 117.430 119.914 -0.447 0.000 3.036 858 V HA 0.908 5.028 4.120 -0.000 0.000 0.308 858 V C 0.424 176.410 176.094 -0.180 0.000 1.070 858 V CA 0.001 62.167 62.300 -0.223 0.000 1.056 858 V CB 2.015 33.744 31.823 -0.156 0.000 1.084 858 V HN 1.086 nan 8.190 nan 0.000 0.471 859 S N 3.547 119.238 115.700 -0.015 0.000 2.557 859 S HA 0.768 5.238 4.470 -0.000 0.000 0.291 859 S C -0.766 173.917 174.600 0.138 0.000 1.116 859 S CA -0.518 57.709 58.200 0.045 0.000 0.992 859 S CB 1.131 64.465 63.200 0.222 0.000 1.028 859 S HN 0.734 nan 8.310 nan 0.000 0.484 860 L N 2.420 123.655 121.223 0.020 0.000 2.381 860 L HA 0.545 4.885 4.340 -0.000 0.000 0.274 860 L C -0.456 176.422 176.870 0.014 0.000 0.988 860 L CA -0.606 54.299 54.840 0.109 0.000 0.824 860 L CB 1.277 43.356 42.059 0.034 0.000 1.263 860 L HN 0.537 nan 8.230 nan 0.000 0.410 861 W N 2.366 123.643 121.300 -0.040 0.000 2.141 861 W HA 0.285 4.945 4.660 -0.000 0.000 0.354 861 W C -2.094 174.402 176.519 -0.039 0.000 1.297 861 W CA -1.437 55.863 57.345 -0.075 0.000 1.380 861 W CB 1.182 30.571 29.460 -0.118 0.000 1.168 861 W HN 0.133 nan 8.180 nan 0.000 0.639 862 P HA 0.071 nan 4.420 nan 0.000 0.268 862 P C 0.456 177.819 177.300 0.104 0.000 1.204 862 P CA 1.583 64.726 63.100 0.072 0.000 0.768 862 P CB 0.346 32.080 31.700 0.057 0.000 0.842 863 G N 1.511 110.352 108.800 0.070 0.000 2.195 863 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.246 863 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.246 863 G C -0.031 174.911 174.900 0.069 0.000 0.984 863 G CA -0.260 44.880 45.100 0.066 0.000 0.633 863 G HN 0.555 nan 8.290 nan 0.000 0.525 864 E N 0.508 120.760 120.200 0.087 0.000 2.222 864 E HA 0.644 4.994 4.350 -0.000 0.000 0.272 864 E C -0.446 176.190 176.600 0.059 0.000 0.982 864 E CA -0.195 56.257 56.400 0.087 0.000 0.842 864 E CB 1.515 31.297 29.700 0.138 0.000 1.144 864 E HN 0.172 nan 8.360 nan 0.000 0.397 865 T N 0.602 115.186 114.554 0.051 0.000 2.903 865 T HA 0.489 4.839 4.350 -0.000 0.000 0.299 865 T C -0.753 173.968 174.700 0.036 0.000 1.093 865 T CA -0.674 61.446 62.100 0.034 0.000 1.002 865 T CB 2.031 70.916 68.868 0.029 0.000 1.127 865 T HN 0.354 nan 8.240 nan 0.000 0.488 866 T N 0.986 115.555 114.554 0.026 0.000 2.923 866 T HA 0.610 4.960 4.350 -0.000 0.000 0.311 866 T C -1.356 173.360 174.700 0.028 0.000 1.183 866 T CA -0.369 61.747 62.100 0.026 0.000 1.020 866 T CB 1.610 70.490 68.868 0.019 0.000 1.165 866 T HN 0.576 nan 8.240 nan 0.000 0.482 867 T N 4.564 119.141 114.554 0.038 0.000 2.786 867 T HA 0.619 4.969 4.350 -0.000 0.000 0.283 867 T C -0.506 174.241 174.700 0.078 0.000 0.992 867 T CA -0.487 61.644 62.100 0.052 0.000 0.954 867 T CB 0.414 69.308 68.868 0.044 0.000 0.934 867 T HN 0.391 nan 8.240 nan 0.000 0.440 868 L N 2.460 123.757 121.223 0.123 0.000 2.331 868 L HA 0.668 5.008 4.340 -0.000 0.000 0.275 868 L C 0.256 177.277 176.870 0.252 0.000 1.022 868 L CA -0.838 54.135 54.840 0.223 0.000 0.812 868 L CB 1.903 44.130 42.059 0.280 0.000 1.257 868 L HN 0.512 nan 8.230 nan 0.000 0.435 869 T N 1.638 116.338 114.554 0.244 0.000 2.840 869 T HA 0.622 4.972 4.350 -0.000 0.000 0.287 869 T C -0.534 174.091 174.700 -0.125 0.000 0.991 869 T CA -0.452 61.680 62.100 0.054 0.000 0.964 869 T CB 1.639 70.522 68.868 0.025 0.000 0.954 869 T HN 0.649 nan 8.240 nan 0.000 0.438 870 A N 3.715 126.241 122.820 -0.489 0.000 2.318 870 A HA 0.789 5.109 4.320 -0.000 0.000 0.324 870 A C -0.283 177.112 177.584 -0.315 0.000 1.170 870 A CA -0.724 50.802 52.037 -0.851 0.000 0.810 870 A CB 0.919 18.970 19.000 -1.581 0.000 1.198 870 A HN 0.699 nan 8.150 nan 0.000 0.484 871 K N 1.620 121.896 120.400 -0.208 0.000 2.292 871 K HA 0.683 5.003 4.320 -0.000 0.000 0.257 871 K C -1.562 175.052 176.600 0.023 0.000 0.940 871 K CA -0.483 55.719 56.287 -0.142 0.000 0.811 871 K CB 1.237 33.661 32.500 -0.127 0.000 1.120 871 K HN 0.791 nan 8.250 nan 0.000 0.428 872 Y N -0.990 119.224 120.300 -0.143 0.000 2.689 872 Y HA 0.460 5.010 4.550 -0.000 0.000 0.333 872 Y C -0.982 174.872 175.900 -0.077 0.000 1.208 872 Y CA -1.563 56.476 58.100 -0.101 0.000 1.055 872 Y CB 0.742 39.136 38.460 -0.109 0.000 1.304 872 Y HN 0.265 nan 8.280 nan 0.000 0.455 873 R N 0.909 121.451 120.500 0.070 0.000 2.347 873 R HA 0.210 4.550 4.340 -0.000 0.000 0.304 873 R C 0.479 176.805 176.300 0.043 0.000 1.072 873 R CA 0.473 56.572 56.100 -0.002 0.000 0.980 873 R CB 1.020 31.331 30.300 0.017 0.000 0.986 873 R HN 0.943 nan 8.270 nan 0.000 0.448 874 T N 2.333 116.853 114.554 -0.057 0.000 2.653 874 T HA -0.289 4.061 4.350 -0.000 0.000 0.268 874 T C 1.894 176.621 174.700 0.044 0.000 1.035 874 T CA 1.977 64.067 62.100 -0.017 0.000 1.154 874 T CB -0.097 68.737 68.868 -0.056 0.000 0.862 874 T HN 0.771 nan 8.240 nan 0.000 0.441 875 A N 1.687 124.521 122.820 0.023 0.000 2.024 875 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 875 A C 1.978 179.583 177.584 0.034 0.000 1.164 875 A CA 1.521 53.571 52.037 0.022 0.000 0.643 875 A CB -0.485 18.519 19.000 0.008 0.000 0.806 875 A HN 0.363 nan 8.150 nan 0.000 0.451 876 D N -0.551 119.884 120.400 0.058 0.000 2.371 876 D HA -0.028 4.612 4.640 -0.000 0.000 0.221 876 D C 1.317 177.642 176.300 0.041 0.000 0.986 876 D CA 0.304 54.334 54.000 0.050 0.000 0.899 876 D CB 0.067 40.904 40.800 0.063 0.000 0.902 876 D HN 0.240 nan 8.370 nan 0.000 0.530 877 L N 0.684 121.949 121.223 0.071 0.000 2.291 877 L HA -0.008 4.332 4.340 -0.000 0.000 0.214 877 L C 0.828 177.708 176.870 0.018 0.000 1.120 877 L CA 0.877 55.745 54.840 0.046 0.000 0.799 877 L CB -0.554 41.559 42.059 0.090 0.000 0.925 877 L HN -0.009 nan 8.230 nan 0.000 0.446 878 K N -0.277 120.133 120.400 0.017 0.000 3.077 878 K HA -0.252 4.067 4.320 -0.000 0.000 0.264 878 K C 1.079 177.681 176.600 0.004 0.000 1.008 878 K CA 0.298 56.588 56.287 0.005 0.000 0.740 878 K CB -1.901 30.597 32.500 -0.004 0.000 1.273 878 K HN 0.529 nan 8.250 nan 0.000 0.477 879 G N -0.844 107.961 108.800 0.009 0.000 2.268 879 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.240 879 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.240 879 G C 0.159 175.063 174.900 0.007 0.000 1.010 879 G CA 0.277 45.380 45.100 0.006 0.000 0.618 879 G HN 0.617 nan 8.290 nan 0.000 0.516 880 S N 0.800 116.505 115.700 0.007 0.000 2.576 880 S HA 0.512 4.981 4.470 -0.000 0.000 0.276 880 S C 0.729 175.339 174.600 0.016 0.000 1.339 880 S CA 0.112 58.316 58.200 0.006 0.000 1.039 880 S CB 0.482 63.681 63.200 -0.002 0.000 0.902 880 S HN 0.427 nan 8.310 nan 0.000 0.516 881 K N 3.715 124.122 120.400 0.013 0.000 2.295 881 K HA 0.268 4.588 4.320 -0.000 0.000 0.270 881 K C -2.287 174.328 176.600 0.024 0.000 1.011 881 K CA -1.459 54.840 56.287 0.020 0.000 0.953 881 K CB 0.190 32.697 32.500 0.013 0.000 0.956 881 K HN 0.520 nan 8.250 nan 0.000 0.477 882 P HA 0.085 nan 4.420 nan 0.000 0.280 882 P C -0.950 176.365 177.300 0.025 0.000 1.244 882 P CA -0.192 62.933 63.100 0.042 0.000 0.784 882 P CB 1.303 33.072 31.700 0.114 0.000 0.913 883 S N 1.134 116.838 115.700 0.008 0.000 2.715 883 S HA 0.596 5.066 4.470 -0.000 0.000 0.307 883 S C -0.449 174.164 174.600 0.022 0.000 1.119 883 S CA -0.712 57.497 58.200 0.014 0.000 0.937 883 S CB 1.482 64.684 63.200 0.004 0.000 1.150 883 S HN 0.228 nan 8.310 nan 0.000 0.521 884 V N 1.909 121.846 119.914 0.037 0.000 2.409 884 V HA 0.441 4.561 4.120 -0.000 0.000 0.290 884 V C -0.066 176.046 176.094 0.030 0.000 1.017 884 V CA -0.659 61.681 62.300 0.066 0.000 0.841 884 V CB 1.214 33.106 31.823 0.116 0.000 1.003 884 V HN 0.734 nan 8.190 nan 0.000 0.426 885 R N 4.831 125.343 120.500 0.019 0.000 2.267 885 R HA 0.587 4.927 4.340 -0.000 0.000 0.319 885 R C -1.079 175.198 176.300 -0.037 0.000 1.067 885 R CA -0.257 55.836 56.100 -0.012 0.000 0.936 885 R CB 0.520 30.811 30.300 -0.016 0.000 1.006 885 R HN 0.682 nan 8.270 nan 0.000 0.452 886 I N 3.377 123.915 120.570 -0.054 0.000 2.382 886 I HA 0.211 4.381 4.170 -0.000 0.000 0.285 886 I C -0.687 175.376 176.117 -0.090 0.000 1.007 886 I CA -0.183 61.063 61.300 -0.090 0.000 1.142 886 I CB 2.096 40.048 38.000 -0.079 0.000 1.289 886 I HN 0.535 nan 8.210 nan 0.000 0.453 887 S N 3.818 119.452 115.700 -0.110 0.000 2.519 887 S HA 0.789 5.259 4.470 -0.000 0.000 0.309 887 S C 0.004 174.541 174.600 -0.105 0.000 1.100 887 S CA -0.751 57.393 58.200 -0.093 0.000 1.059 887 S CB 1.871 65.026 63.200 -0.075 0.000 1.008 887 S HN 0.751 nan 8.310 nan 0.000 0.478 888 G N 0.870 109.623 108.800 -0.078 0.000 2.481 888 G HA2 0.436 4.395 3.960 -0.000 0.000 0.315 888 G HA3 0.436 4.395 3.960 -0.000 0.000 0.315 888 G C 0.311 175.230 174.900 0.032 0.000 1.231 888 G CA -0.843 44.229 45.100 -0.047 0.000 0.968 888 G HN 0.762 nan 8.290 nan 0.000 0.482 889 W N 1.986 123.231 121.300 -0.092 0.000 2.318 889 W HA -0.160 4.500 4.660 -0.000 0.000 0.313 889 W C 0.907 177.413 176.519 -0.020 0.000 1.221 889 W CA 2.016 59.332 57.345 -0.049 0.000 1.266 889 W CB 0.226 29.683 29.460 -0.005 0.000 1.150 889 W HN 0.652 nan 8.180 nan 0.000 0.496 890 N N -0.554 118.286 118.700 0.233 0.000 2.338 890 N HA -0.008 4.732 4.740 -0.000 0.000 0.251 890 N C 0.373 175.892 175.510 0.014 0.000 1.199 890 N CA 0.903 54.015 53.050 0.104 0.000 0.879 890 N CB -0.544 38.055 38.487 0.186 0.000 1.159 890 N HN 0.064 nan 8.380 nan 0.000 0.514 891 T N -4.815 109.730 114.554 -0.015 0.000 3.058 891 T HA 0.482 4.832 4.350 -0.000 0.000 0.278 891 T C 0.930 175.596 174.700 -0.057 0.000 0.974 891 T CA 0.234 62.310 62.100 -0.040 0.000 0.893 891 T CB 0.326 69.166 68.868 -0.047 0.000 1.138 891 T HN 0.396 nan 8.240 nan 0.000 0.529 892 G N 1.355 110.111 108.800 -0.073 0.000 2.562 892 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.250 892 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.250 892 G C -0.444 174.411 174.900 -0.076 0.000 1.269 892 G CA -0.162 44.889 45.100 -0.082 0.000 0.919 892 G HN 0.846 nan 8.290 nan 0.000 0.574 893 T N 1.336 115.849 114.554 -0.068 0.000 2.928 893 T HA 0.632 4.982 4.350 -0.000 0.000 0.296 893 T C -0.237 174.432 174.700 -0.051 0.000 1.000 893 T CA 0.093 62.156 62.100 -0.062 0.000 0.989 893 T CB 1.662 70.493 68.868 -0.062 0.000 1.005 893 T HN 0.942 nan 8.240 nan 0.000 0.442 894 Q N 0.411 120.183 119.800 -0.046 0.000 2.397 894 Q HA 0.772 5.112 4.340 -0.000 0.000 0.275 894 Q C -0.914 175.068 176.000 -0.030 0.000 1.090 894 Q CA -1.074 54.707 55.803 -0.036 0.000 0.809 894 Q CB 2.120 30.838 28.738 -0.033 0.000 1.362 894 Q HN 0.513 nan 8.270 nan 0.000 0.431 895 T N 0.311 114.851 114.554 -0.023 0.000 2.823 895 T HA 0.622 4.971 4.350 -0.000 0.000 0.279 895 T C -0.427 174.268 174.700 -0.009 0.000 0.998 895 T CA -0.448 61.643 62.100 -0.015 0.000 0.994 895 T CB 1.296 70.155 68.868 -0.014 0.000 0.960 895 T HN 0.750 nan 8.240 nan 0.000 0.448 896 V N 2.928 122.842 119.914 -0.000 0.000 2.715 896 V HA 0.884 5.004 4.120 -0.000 0.000 0.310 896 V C -2.691 173.410 176.094 0.011 0.000 1.054 896 V CA -2.786 59.517 62.300 0.005 0.000 0.928 896 V CB 1.486 33.313 31.823 0.008 0.000 1.007 896 V HN 0.808 nan 8.190 nan 0.000 0.437 897 P HA 0.384 nan 4.420 nan 0.000 0.274 897 P C -0.249 177.064 177.300 0.021 0.000 1.231 897 P CA -0.208 62.900 63.100 0.013 0.000 0.790 897 P CB 1.719 33.424 31.700 0.008 0.000 0.951 898 A N -0.374 122.462 122.820 0.027 0.000 2.705 898 A HA 0.623 4.942 4.320 -0.000 0.000 0.294 898 A C 0.262 177.864 177.584 0.030 0.000 1.039 898 A CA 0.569 52.627 52.037 0.036 0.000 1.005 898 A CB -0.688 18.344 19.000 0.054 0.000 1.192 898 A HN 0.740 nan 8.150 nan 0.000 0.513 899 D N 0.000 120.412 120.400 0.020 0.000 6.856 899 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 899 D CA 0.000 nan 54.000 nan 0.000 0.868 899 D CB 0.000 nan 40.800 nan 0.000 0.688 899 D HN 0.000 nan 8.370 nan 0.000 0.683