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 2x09_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 GEEKGEPWVE SDYPIAKASM DATA SEQUENCE FSEAERLRDH PSVISFHIGS DFAPDRRIEQ 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 0.000 174.932 174.900 0.053 0.000 0.946 49 G CA 0.000 45.130 45.100 0.050 0.000 0.502 50 N N -0.066 118.672 118.700 0.064 0.000 2.404 50 N HA 0.797 5.537 4.740 -0.000 0.000 0.297 50 N C -0.414 175.142 175.510 0.078 0.000 1.163 50 N CA -0.311 52.780 53.050 0.068 0.000 0.864 50 N CB 2.000 40.528 38.487 0.069 0.000 1.247 50 N HN 0.340 nan 8.380 nan 0.000 0.510 51 A N 0.970 123.837 122.820 0.079 0.000 2.476 51 A HA 0.485 4.805 4.320 -0.000 0.000 0.280 51 A C -1.228 176.411 177.584 0.092 0.000 1.081 51 A CA -0.563 51.528 52.037 0.091 0.000 0.753 51 A CB 0.828 19.878 19.000 0.083 0.000 1.248 51 A HN 0.465 nan 8.150 nan 0.000 0.424 52 T N 5.121 119.736 114.554 0.101 0.000 2.792 52 T HA 0.656 5.006 4.350 -0.000 0.000 0.280 52 T C -2.881 171.883 174.700 0.107 0.000 0.990 52 T CA -1.261 60.895 62.100 0.094 0.000 0.960 52 T CB 1.668 70.585 68.868 0.082 0.000 0.939 52 T HN 0.492 nan 8.240 nan 0.000 0.439 53 P HA 0.323 nan 4.420 nan 0.000 0.275 53 P C -0.391 176.961 177.300 0.088 0.000 1.227 53 P CA -0.525 62.642 63.100 0.113 0.000 0.781 53 P CB 0.681 32.446 31.700 0.109 0.000 0.906 54 I N 6.165 126.790 120.570 0.091 0.000 2.505 54 I HA 0.025 4.195 4.170 -0.000 0.000 0.287 54 I C -0.773 175.304 176.117 -0.068 0.000 1.104 54 I CA -1.378 59.922 61.300 0.001 0.000 1.387 54 I CB 0.657 38.658 38.000 0.000 0.000 1.404 54 I HN 0.318 nan 8.210 nan 0.000 0.528 55 P HA 0.051 nan 4.420 nan 0.000 0.222 55 P C 0.504 177.759 177.300 -0.074 0.000 1.153 55 P CA 0.699 63.784 63.100 -0.025 0.000 0.798 55 P CB 0.438 32.140 31.700 0.004 0.000 0.796 56 G N -1.964 106.684 108.800 -0.254 0.000 2.608 56 G HA2 0.578 4.538 3.960 -0.000 0.000 0.291 56 G HA3 0.578 4.538 3.960 -0.000 0.000 0.291 56 G C -2.174 172.407 174.900 -0.532 0.000 1.425 56 G CA -0.584 44.372 45.100 -0.240 0.000 0.787 56 G HN -0.074 nan 8.290 nan 0.000 0.484 57 Y N -1.514 118.907 120.300 0.202 0.000 2.615 57 Y HA 0.615 5.165 4.550 -0.000 0.000 0.341 57 Y C 0.228 176.256 175.900 0.213 0.000 1.089 57 Y CA -1.127 57.114 58.100 0.236 0.000 1.049 57 Y CB 2.299 40.951 38.460 0.321 0.000 1.296 57 Y HN 0.589 nan 8.280 nan 0.000 0.470 58 V N 1.322 121.490 119.914 0.424 0.000 2.532 58 V HA 0.825 4.945 4.120 -0.000 0.000 0.295 58 V C -0.390 176.045 176.094 0.568 0.000 1.041 58 V CA -0.823 61.739 62.300 0.438 0.000 0.926 58 V CB 1.239 33.294 31.823 0.387 0.000 0.992 58 V HN 0.730 nan 8.190 nan 0.000 0.457 59 I N 1.027 121.875 120.570 0.462 0.000 2.785 59 I HA 0.989 5.159 4.170 -0.000 0.000 0.302 59 I C -0.779 175.403 176.117 0.109 0.000 1.069 59 I CA -0.829 60.640 61.300 0.282 0.000 1.045 59 I CB 2.316 40.300 38.000 -0.026 0.000 1.236 59 I HN 0.734 nan 8.210 nan 0.000 0.429 60 Q N 2.517 122.121 119.800 -0.326 0.000 2.479 60 Q HA 0.340 4.680 4.340 -0.000 0.000 0.276 60 Q C -1.021 174.358 176.000 -1.034 0.000 0.989 60 Q CA -0.380 54.895 55.803 -0.879 0.000 0.864 60 Q CB 2.249 29.789 28.738 -1.996 0.000 1.444 60 Q HN 0.945 nan 8.270 nan 0.000 0.388 61 S N 0.723 115.326 115.700 -1.828 0.000 2.558 61 S HA 0.066 4.536 4.470 -0.000 0.000 0.287 61 S C 0.768 174.975 174.600 -0.654 0.000 1.321 61 S CA 0.714 57.896 58.200 -1.696 0.000 1.048 61 S CB 0.173 62.557 63.200 -1.359 0.000 0.844 61 S HN 0.803 nan 8.310 nan 0.000 0.512 62 S N 3.397 118.879 115.700 -0.363 0.000 2.660 62 S HA 0.148 4.618 4.470 -0.000 0.000 0.223 62 S C 1.534 176.102 174.600 -0.052 0.000 0.963 62 S CA 0.238 58.441 58.200 0.005 0.000 0.932 62 S CB -0.351 62.824 63.200 -0.043 0.000 0.775 62 S HN 0.892 nan 8.310 nan 0.000 0.531 63 A N 1.351 124.061 122.820 -0.183 0.000 2.016 63 A HA 0.076 4.396 4.320 -0.000 0.000 0.217 63 A C 2.094 179.617 177.584 -0.100 0.000 1.162 63 A CA 0.524 52.483 52.037 -0.131 0.000 0.662 63 A CB -0.215 18.686 19.000 -0.165 0.000 0.812 63 A HN 0.493 nan 8.150 nan 0.000 0.450 64 Q N -0.211 119.504 119.800 -0.141 0.000 2.280 64 Q HA 0.214 4.554 4.340 -0.000 0.000 0.202 64 Q C -0.778 175.252 176.000 0.050 0.000 0.903 64 Q CA 0.282 56.043 55.803 -0.070 0.000 0.948 64 Q CB 0.481 29.135 28.738 -0.140 0.000 1.058 64 Q HN 0.339 nan 8.270 nan 0.000 0.493 65 V N 1.423 121.372 119.914 0.059 0.000 2.482 65 V HA 0.133 4.253 4.120 -0.000 0.000 0.295 65 V C 0.878 177.008 176.094 0.060 0.000 1.026 65 V CA -0.165 62.190 62.300 0.092 0.000 0.856 65 V CB 1.782 33.630 31.823 0.042 0.000 1.001 65 V HN 0.197 nan 8.190 nan 0.000 0.424 66 S N 1.584 117.307 115.700 0.038 0.000 2.486 66 S HA 0.101 4.571 4.470 -0.000 0.000 0.220 66 S C 0.396 175.000 174.600 0.006 0.000 1.011 66 S CA 0.414 58.629 58.200 0.024 0.000 0.921 66 S CB 0.145 63.356 63.200 0.018 0.000 0.785 66 S HN 0.737 nan 8.310 nan 0.000 0.517 67 D N 0.595 120.971 120.400 -0.039 0.000 2.473 67 D HA 0.366 5.006 4.640 -0.000 0.000 0.253 67 D C -0.304 175.849 176.300 -0.245 0.000 1.233 67 D CA -0.456 53.490 54.000 -0.091 0.000 0.908 67 D CB 1.443 42.195 40.800 -0.080 0.000 1.170 67 D HN -0.223 nan 8.370 nan 0.000 0.558 68 D N 1.034 121.311 120.400 -0.206 0.000 2.158 68 D HA -0.191 4.449 4.640 -0.000 0.000 0.197 68 D C 1.946 177.590 176.300 -1.094 0.000 0.995 68 D CA 1.640 55.388 54.000 -0.420 0.000 0.846 68 D CB 0.006 40.790 40.800 -0.026 0.000 0.941 68 D HN 0.500 nan 8.370 nan 0.000 0.456 69 S N -0.057 115.132 115.700 -0.851 0.000 2.442 69 S HA -0.032 4.438 4.470 -0.000 0.000 0.236 69 S C 1.999 176.250 174.600 -0.581 0.000 1.007 69 S CA 0.982 58.684 58.200 -0.829 0.000 0.965 69 S CB -0.147 62.944 63.200 -0.182 0.000 0.773 69 S HN 0.237 nan 8.310 nan 0.000 0.504 70 A N 1.162 123.652 122.820 -0.549 0.000 2.067 70 A HA 0.266 4.585 4.320 -0.000 0.000 0.217 70 A C 2.232 179.326 177.584 -0.816 0.000 1.156 70 A CA 0.943 52.716 52.037 -0.441 0.000 0.683 70 A CB -0.704 18.174 19.000 -0.203 0.000 0.808 70 A HN 0.454 nan 8.150 nan 0.000 0.455 71 V N 0.961 120.109 119.914 -1.277 0.000 2.407 71 V HA -0.184 3.936 4.120 -0.000 0.000 0.248 71 V C 2.418 177.955 176.094 -0.928 0.000 1.055 71 V CA 2.132 63.377 62.300 -1.758 0.000 1.049 71 V CB -0.798 29.897 31.823 -1.879 0.000 0.662 71 V HN 0.738 nan 8.190 nan 0.000 0.455 72 S N -1.350 114.022 115.700 -0.546 0.000 2.614 72 S HA 0.205 4.675 4.470 -0.000 0.000 0.230 72 S C 0.429 174.970 174.600 -0.099 0.000 0.952 72 S CA -0.403 57.679 58.200 -0.197 0.000 0.949 72 S CB -0.382 62.819 63.200 0.003 0.000 0.786 72 S HN 0.569 nan 8.310 nan 0.000 0.478 73 K N 2.696 123.012 120.400 -0.139 0.000 2.258 73 K HA 0.359 4.679 4.320 -0.000 0.000 0.284 73 K C -2.891 173.716 176.600 0.013 0.000 1.051 73 K CA -2.211 54.060 56.287 -0.027 0.000 0.923 73 K CB 0.473 32.956 32.500 -0.027 0.000 1.046 73 K HN 0.075 nan 8.250 nan 0.000 0.474 74 P HA -0.115 nan 4.420 nan 0.000 0.261 74 P C 0.659 177.977 177.300 0.030 0.000 1.173 74 P CA 1.072 64.203 63.100 0.051 0.000 0.760 74 P CB 0.483 32.241 31.700 0.096 0.000 0.783 75 G N 2.608 111.416 108.800 0.013 0.000 2.176 75 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.232 75 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.232 75 G C 0.091 174.967 174.900 -0.039 0.000 0.986 75 G CA -0.476 44.612 45.100 -0.020 0.000 0.643 75 G HN 0.555 nan 8.290 nan 0.000 0.522 76 F N 4.667 124.516 119.950 -0.168 0.000 2.602 76 F HA 0.463 4.989 4.527 -0.000 0.000 0.385 76 F C -0.977 174.651 175.800 -0.287 0.000 1.063 76 F CA -1.459 56.401 58.000 -0.233 0.000 1.233 76 F CB 0.473 39.296 39.000 -0.294 0.000 1.067 76 F HN 0.076 nan 8.300 nan 0.000 0.564 77 P HA 0.140 nan 4.420 nan 0.000 0.276 77 P C -0.375 176.334 177.300 -0.985 0.000 1.230 77 P CA -0.248 62.416 63.100 -0.728 0.000 0.776 77 P CB 1.059 32.435 31.700 -0.540 0.000 0.888 78 T N -2.849 111.293 114.554 -0.688 0.000 3.288 78 T HA 0.116 4.466 4.350 -0.000 0.000 0.293 78 T C 0.523 175.012 174.700 -0.351 0.000 1.008 78 T CA -0.408 61.145 62.100 -0.913 0.000 0.929 78 T CB -0.657 67.691 68.868 -0.866 0.000 1.152 78 T HN 0.401 nan 8.240 nan 0.000 0.517 79 S N 1.070 116.649 115.700 -0.202 0.000 2.596 79 S HA 0.413 4.882 4.470 -0.000 0.000 0.298 79 S C 1.727 176.366 174.600 0.065 0.000 1.255 79 S CA 0.974 59.136 58.200 -0.062 0.000 1.083 79 S CB -0.612 62.536 63.200 -0.087 0.000 0.837 79 S HN 1.544 nan 8.310 nan 0.000 0.499 80 G N 3.975 112.793 108.800 0.031 0.000 2.232 80 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.226 80 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.226 80 G C -0.126 174.667 174.900 -0.179 0.000 0.996 80 G CA -0.106 44.960 45.100 -0.056 0.000 0.626 80 G HN 0.671 nan 8.290 nan 0.000 0.509 81 W N 0.939 122.072 121.300 -0.279 0.000 2.170 81 W HA 0.653 5.313 4.660 -0.000 0.000 0.336 81 W C 0.324 176.692 176.519 -0.251 0.000 1.283 81 W CA -0.462 56.751 57.345 -0.219 0.000 1.224 81 W CB -0.007 29.439 29.460 -0.023 0.000 1.132 81 W HN 0.135 nan 8.180 nan 0.000 0.571 82 Y N 3.895 124.356 120.300 0.268 0.000 2.383 82 Y HA 0.240 4.789 4.550 -0.000 0.000 0.344 82 Y C -1.567 174.448 175.900 0.192 0.000 0.986 82 Y CA -2.848 55.367 58.100 0.191 0.000 1.175 82 Y CB -0.002 38.558 38.460 0.166 0.000 1.152 82 Y HN 0.017 nan 8.280 nan 0.000 0.511 83 P HA 0.081 nan 4.420 nan 0.000 0.271 83 P C -0.640 176.790 177.300 0.215 0.000 1.226 83 P CA 0.094 63.327 63.100 0.222 0.000 0.765 83 P CB 1.277 33.069 31.700 0.154 0.000 0.835 84 V N 0.735 120.785 119.914 0.227 0.000 3.001 84 V HA 0.612 4.732 4.120 -0.000 0.000 0.314 84 V C 0.052 176.286 176.094 0.235 0.000 1.099 84 V CA -0.871 61.559 62.300 0.216 0.000 0.989 84 V CB 1.815 33.765 31.823 0.212 0.000 1.040 84 V HN 0.406 nan 8.190 nan 0.000 0.434 85 S N 1.644 117.470 115.700 0.210 0.000 2.608 85 S HA 0.325 4.795 4.470 -0.000 0.000 0.261 85 S C 0.480 175.264 174.600 0.308 0.000 1.314 85 S CA 0.056 58.382 58.200 0.209 0.000 0.992 85 S CB 1.070 64.380 63.200 0.184 0.000 0.935 85 S HN 1.206 nan 8.310 nan 0.000 0.564 86 S N 0.445 116.309 115.700 0.273 0.000 2.558 86 S HA 0.066 4.536 4.470 -0.000 0.000 0.287 86 S C 0.589 175.367 174.600 0.297 0.000 1.321 86 S CA 0.183 58.587 58.200 0.340 0.000 1.048 86 S CB -0.324 63.017 63.200 0.236 0.000 0.844 86 S HN 0.695 nan 8.310 nan 0.000 0.512 87 R N 0.525 121.182 120.500 0.262 0.000 3.762 87 R HA -0.109 4.231 4.340 -0.000 0.000 0.328 87 R C -0.731 175.699 176.300 0.216 0.000 1.164 87 R CA 0.679 56.896 56.100 0.196 0.000 0.861 87 R CB -2.663 27.761 30.300 0.207 0.000 1.408 87 R HN 0.468 nan 8.270 nan 0.000 0.502 88 S N 1.032 116.878 115.700 0.243 0.000 2.462 88 S HA 0.320 4.790 4.470 -0.000 0.000 0.294 88 S C 0.760 175.492 174.600 0.220 0.000 1.144 88 S CA -0.433 57.910 58.200 0.237 0.000 1.088 88 S CB 1.783 65.142 63.200 0.265 0.000 1.009 88 S HN 0.294 nan 8.310 nan 0.000 0.484 89 T N -0.027 114.625 114.554 0.162 0.000 2.813 89 T HA 0.256 4.606 4.350 -0.000 0.000 0.297 89 T C 1.505 176.254 174.700 0.081 0.000 1.036 89 T CA -0.796 61.373 62.100 0.115 0.000 1.044 89 T CB 0.431 69.366 68.868 0.112 0.000 0.993 89 T HN 0.192 nan 8.240 nan 0.000 0.535 90 V N 1.035 120.933 119.914 -0.027 0.000 2.287 90 V HA -0.159 3.961 4.120 -0.000 0.000 0.248 90 V C 2.148 178.089 176.094 -0.255 0.000 1.053 90 V CA 2.014 64.168 62.300 -0.244 0.000 1.027 90 V CB -1.219 30.211 31.823 -0.655 0.000 0.646 90 V HN 0.928 nan 8.190 nan 0.000 0.447 91 Y N 1.292 121.334 120.300 -0.430 0.000 2.242 91 Y HA -0.123 4.427 4.550 -0.000 0.000 0.291 91 Y C 2.318 178.071 175.900 -0.245 0.000 1.137 91 Y CA 1.050 58.922 58.100 -0.380 0.000 1.181 91 Y CB -0.703 37.449 38.460 -0.513 0.000 0.989 91 Y HN 0.156 nan 8.280 nan 0.000 0.527 92 A N -0.054 122.617 122.820 -0.247 0.000 1.933 92 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 92 A C 2.507 179.993 177.584 -0.163 0.000 1.175 92 A CA 1.638 53.526 52.037 -0.248 0.000 0.628 92 A CB -1.571 17.427 19.000 -0.003 0.000 0.814 92 A HN 0.555 nan 8.150 nan 0.000 0.444 93 G N -0.357 108.393 108.800 -0.084 0.000 2.408 93 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.217 93 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.217 93 G C 1.522 176.374 174.900 -0.081 0.000 1.150 93 G CA 0.906 45.989 45.100 -0.029 0.000 0.776 93 G HN 0.432 nan 8.290 nan 0.000 0.542 94 L N -0.124 121.003 121.223 -0.160 0.000 2.056 94 L HA 0.065 4.405 4.340 -0.000 0.000 0.207 94 L C 2.828 179.613 176.870 -0.142 0.000 1.078 94 L CA 0.427 55.157 54.840 -0.184 0.000 0.749 94 L CB -0.356 41.689 42.059 -0.024 0.000 0.901 94 L HN 0.165 nan 8.230 nan 0.000 0.433 95 L N -0.607 120.471 121.223 -0.242 0.000 2.131 95 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 95 L C 2.667 179.451 176.870 -0.142 0.000 1.092 95 L CA 1.124 55.810 54.840 -0.257 0.000 0.759 95 L CB -0.413 41.352 42.059 -0.490 0.000 0.903 95 L HN 0.383 nan 8.230 nan 0.000 0.435 96 Q N 0.149 119.888 119.800 -0.102 0.000 2.124 96 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 96 Q C 1.179 177.183 176.000 0.006 0.000 0.977 96 Q CA 1.109 56.895 55.803 -0.029 0.000 0.850 96 Q CB 0.175 28.922 28.738 0.015 0.000 0.901 96 Q HN 0.544 nan 8.270 nan 0.000 0.429 97 N N -0.627 118.083 118.700 0.017 0.000 2.322 97 N HA 0.057 4.797 4.740 -0.000 0.000 0.216 97 N C 0.151 175.672 175.510 0.019 0.000 1.144 97 N CA 0.672 53.762 53.050 0.066 0.000 0.830 97 N CB 0.960 39.567 38.487 0.200 0.000 1.034 97 N HN 0.341 nan 8.380 nan 0.000 0.484 98 G N 1.818 110.602 108.800 -0.026 0.000 2.258 98 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.274 98 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.274 98 G C 1.129 175.977 174.900 -0.087 0.000 1.021 98 G CA 0.221 45.295 45.100 -0.042 0.000 0.798 98 G HN 0.250 nan 8.290 nan 0.000 0.507 99 K N -1.495 118.809 120.400 -0.161 0.000 2.366 99 K HA 0.107 4.427 4.320 -0.000 0.000 0.198 99 K C 0.241 176.457 176.600 -0.640 0.000 1.044 99 K CA 0.940 56.980 56.287 -0.412 0.000 0.973 99 K CB 0.102 32.259 32.500 -0.572 0.000 0.767 99 K HN 0.592 nan 8.250 nan 0.000 0.475 100 Y N -1.096 119.214 120.300 0.018 0.000 2.588 100 Y HA 0.414 4.964 4.550 -0.000 0.000 0.343 100 Y C -0.096 175.829 175.900 0.042 0.000 1.065 100 Y CA -1.548 56.589 58.100 0.062 0.000 1.038 100 Y CB 1.048 39.599 38.460 0.152 0.000 1.297 100 Y HN -0.172 nan 8.280 nan 0.000 0.467 101 A N 0.576 123.548 122.820 0.254 0.000 2.406 101 A HA 0.168 4.487 4.320 -0.000 0.000 0.243 101 A C -0.127 177.566 177.584 0.181 0.000 1.082 101 A CA -0.218 51.924 52.037 0.175 0.000 0.786 101 A CB -0.072 19.039 19.000 0.186 0.000 1.029 101 A HN 0.712 nan 8.150 nan 0.000 0.495 102 D N 1.819 122.307 120.400 0.147 0.000 2.479 102 D HA 0.041 4.681 4.640 -0.000 0.000 0.257 102 D C -1.202 175.279 176.300 0.303 0.000 1.230 102 D CA -1.309 52.784 54.000 0.155 0.000 0.912 102 D CB 0.738 41.623 40.800 0.140 0.000 1.130 102 D HN 0.206 nan 8.370 nan 0.000 0.515 103 P HA -0.116 nan 4.420 nan 0.000 0.226 103 P C 1.249 179.029 177.300 0.800 0.000 1.153 103 P CA 0.416 63.845 63.100 0.548 0.000 0.777 103 P CB 0.026 32.066 31.700 0.566 0.000 0.794 104 F N -1.380 118.824 119.950 0.423 0.000 2.604 104 F HA 0.036 4.563 4.527 -0.000 0.000 0.298 104 F C 1.219 177.166 175.800 0.246 0.000 1.131 104 F CA -0.318 57.875 58.000 0.322 0.000 1.457 104 F CB -1.252 37.896 39.000 0.247 0.000 1.095 104 F HN -0.072 nan 8.300 nan 0.000 0.574 105 Y N -0.047 120.462 120.300 0.348 0.000 2.331 105 Y HA 0.433 4.983 4.550 -0.000 0.000 0.338 105 Y C 0.978 177.020 175.900 0.236 0.000 0.992 105 Y CA -0.325 57.882 58.100 0.179 0.000 1.121 105 Y CB 0.922 39.467 38.460 0.142 0.000 1.184 105 Y HN 0.042 nan 8.280 nan 0.000 0.469 106 S N 2.721 118.103 115.700 -0.530 0.000 3.927 106 S HA -0.342 4.128 4.470 -0.000 0.000 0.618 106 S C 0.993 175.701 174.600 0.180 0.000 2.201 106 S CA 2.353 60.350 58.200 -0.339 0.000 4.160 106 S CB -1.702 61.104 63.200 -0.658 0.000 0.266 106 S HN 1.314 nan 8.310 nan 0.000 0.760 107 T N -0.200 114.381 114.554 0.045 0.000 3.186 107 T HA 0.359 4.709 4.350 -0.000 0.000 0.257 107 T C 1.099 175.838 174.700 0.066 0.000 1.029 107 T CA 0.497 62.570 62.100 -0.044 0.000 0.916 107 T CB -0.364 68.344 68.868 -0.266 0.000 1.041 107 T HN 0.465 nan 8.240 nan 0.000 0.562 108 N N 1.809 120.636 118.700 0.211 0.000 2.132 108 N HA -0.105 4.635 4.740 -0.000 0.000 0.191 108 N C 1.519 177.156 175.510 0.211 0.000 1.015 108 N CA 1.280 54.468 53.050 0.229 0.000 0.864 108 N CB -0.326 38.347 38.487 0.309 0.000 1.006 108 N HN 0.484 nan 8.380 nan 0.000 0.430 109 M N 0.596 120.375 119.600 0.298 0.000 2.296 109 M HA -0.108 4.372 4.480 -0.000 0.000 0.265 109 M C 1.556 177.917 176.300 0.101 0.000 1.064 109 M CA 1.153 56.607 55.300 0.256 0.000 1.109 109 M CB 0.060 32.923 32.600 0.437 0.000 1.396 109 M HN 0.123 nan 8.290 nan 0.000 0.430 110 Q N -0.044 119.784 119.800 0.046 0.000 2.364 110 Q HA -0.120 4.220 4.340 -0.000 0.000 0.207 110 Q C 0.884 176.860 176.000 -0.039 0.000 0.970 110 Q CA 0.881 56.652 55.803 -0.054 0.000 0.888 110 Q CB -0.018 28.594 28.738 -0.210 0.000 0.951 110 Q HN 0.589 nan 8.270 nan 0.000 0.469 111 N N -0.406 118.289 118.700 -0.009 0.000 2.373 111 N HA 0.016 4.756 4.740 -0.000 0.000 0.181 111 N C -0.143 175.354 175.510 -0.023 0.000 1.082 111 N CA 0.178 53.233 53.050 0.008 0.000 0.885 111 N CB 0.503 39.025 38.487 0.059 0.000 0.977 111 N HN -0.046 nan 8.380 nan 0.000 0.462 112 V N 3.582 123.419 119.914 -0.128 0.000 2.485 112 V HA 0.101 4.221 4.120 -0.000 0.000 0.287 112 V C -1.951 174.041 176.094 -0.171 0.000 1.022 112 V CA -1.201 60.902 62.300 -0.329 0.000 1.067 112 V CB 0.162 31.644 31.823 -0.569 0.000 0.967 112 V HN 0.007 nan 8.190 nan 0.000 0.479 113 P HA 0.153 nan 4.420 nan 0.000 0.263 113 P C 0.466 177.692 177.300 -0.124 0.000 1.195 113 P CA 0.153 63.203 63.100 -0.083 0.000 0.762 113 P CB 0.979 32.649 31.700 -0.049 0.000 0.799 114 A N 4.422 127.212 122.820 -0.049 0.000 1.935 114 A HA 0.069 4.389 4.320 -0.000 0.000 0.214 114 A C 2.095 179.661 177.584 -0.029 0.000 1.178 114 A CA 1.309 53.370 52.037 0.039 0.000 0.640 114 A CB -1.281 17.749 19.000 0.051 0.000 0.825 114 A HN 0.492 nan 8.150 nan 0.000 0.447 115 A N 0.950 123.733 122.820 -0.061 0.000 1.958 115 A HA -0.317 4.003 4.320 -0.000 0.000 0.221 115 A C 2.176 179.712 177.584 -0.079 0.000 1.178 115 A CA 2.060 54.070 52.037 -0.045 0.000 0.642 115 A CB -0.878 18.099 19.000 -0.038 0.000 0.816 115 A HN 0.808 nan 8.150 nan 0.000 0.453 116 Q N -1.836 117.831 119.800 -0.221 0.000 2.297 116 Q HA -0.130 4.210 4.340 -0.000 0.000 0.208 116 Q C 0.709 176.681 176.000 -0.047 0.000 0.981 116 Q CA 1.539 57.212 55.803 -0.217 0.000 0.876 116 Q CB -0.465 28.075 28.738 -0.329 0.000 0.921 116 Q HN 0.611 nan 8.270 nan 0.000 0.446 117 F N 1.249 121.316 119.950 0.195 0.000 2.645 117 F HA 0.255 4.782 4.527 -0.000 0.000 0.300 117 F C 1.589 177.451 175.800 0.104 0.000 1.115 117 F CA -0.056 58.029 58.000 0.141 0.000 1.355 117 F CB 0.359 39.336 39.000 -0.038 0.000 1.026 117 F HN 0.179 nan 8.300 nan 0.000 0.536 118 S N -0.983 114.835 115.700 0.196 0.000 2.548 118 S HA 0.215 4.685 4.470 -0.000 0.000 0.215 118 S C 0.540 175.204 174.600 0.108 0.000 0.976 118 S CA 0.224 58.501 58.200 0.127 0.000 0.908 118 S CB -0.793 62.452 63.200 0.075 0.000 0.781 118 S HN 0.057 nan 8.310 nan 0.000 0.519 119 V N -2.484 117.506 119.914 0.126 0.000 3.096 119 V HA 0.737 4.857 4.120 -0.000 0.000 0.319 119 V C -3.173 172.971 176.094 0.084 0.000 1.103 119 V CA -3.091 59.242 62.300 0.055 0.000 1.016 119 V CB 0.840 32.658 31.823 -0.009 0.000 1.090 119 V HN -0.089 nan 8.190 nan 0.000 0.449 120 P HA 0.274 nan 4.420 nan 0.000 0.273 120 P C -1.559 175.746 177.300 0.008 0.000 1.250 120 P CA 0.131 63.125 63.100 -0.177 0.000 0.793 120 P CB 0.298 31.586 31.700 -0.687 0.000 1.011 121 W N 0.193 121.391 121.300 -0.171 0.000 2.739 121 W HA 0.367 5.027 4.660 -0.000 0.000 0.331 121 W C -1.085 175.425 176.519 -0.016 0.000 1.049 121 W CA 0.256 57.579 57.345 -0.037 0.000 1.234 121 W CB 0.841 30.367 29.460 0.109 0.000 1.404 121 W HN 0.372 nan 8.180 nan 0.000 0.477 122 W N 3.164 124.577 121.300 0.188 0.000 2.272 122 W HA 0.349 5.009 4.660 -0.000 0.000 0.318 122 W C -0.578 176.190 176.519 0.415 0.000 1.255 122 W CA -0.242 57.279 57.345 0.292 0.000 1.200 122 W CB 0.388 29.995 29.460 0.245 0.000 1.170 122 W HN 0.160 nan 8.180 nan 0.000 0.549 123 Y N 3.396 124.030 120.300 0.558 0.000 2.328 123 Y HA 0.428 4.978 4.550 -0.000 0.000 0.333 123 Y C 0.351 176.602 175.900 0.584 0.000 0.958 123 Y CA -1.117 57.241 58.100 0.430 0.000 1.167 123 Y CB 1.245 39.709 38.460 0.007 0.000 1.151 123 Y HN 0.249 nan 8.280 nan 0.000 0.470 124 R N 2.108 123.044 120.500 0.727 0.000 2.686 124 R HA 0.701 5.041 4.340 -0.000 0.000 0.283 124 R C -1.567 175.033 176.300 0.500 0.000 0.978 124 R CA -0.387 56.042 56.100 0.548 0.000 0.897 124 R CB 2.315 32.813 30.300 0.330 0.000 1.192 124 R HN 0.676 nan 8.270 nan 0.000 0.457 125 T N 1.492 116.263 114.554 0.361 0.000 2.932 125 T HA 0.265 4.615 4.350 -0.000 0.000 0.318 125 T C -1.443 173.329 174.700 0.119 0.000 1.265 125 T CA -0.721 61.507 62.100 0.212 0.000 1.036 125 T CB 1.370 70.329 68.868 0.151 0.000 1.209 125 T HN 0.551 nan 8.240 nan 0.000 0.484 126 D N 2.047 122.485 120.400 0.065 0.000 2.358 126 D HA 0.509 5.149 4.640 -0.000 0.000 0.244 126 D C -0.297 176.025 176.300 0.036 0.000 1.163 126 D CA -0.027 53.997 54.000 0.041 0.000 0.945 126 D CB 0.905 41.720 40.800 0.025 0.000 1.152 126 D HN 0.376 nan 8.370 nan 0.000 0.451 127 L N 1.595 122.832 121.223 0.024 0.000 2.528 127 L HA 0.237 4.577 4.340 -0.000 0.000 0.267 127 L C -0.583 176.290 176.870 0.005 0.000 0.961 127 L CA -0.555 54.297 54.840 0.019 0.000 0.866 127 L CB 1.671 43.742 42.059 0.019 0.000 1.248 127 L HN 0.153 nan 8.230 nan 0.000 0.404 128 N N 2.197 120.906 118.700 0.015 0.000 2.411 128 N HA 0.325 5.065 4.740 -0.000 0.000 0.259 128 N C -0.820 174.698 175.510 0.013 0.000 1.103 128 N CA -0.340 52.719 53.050 0.016 0.000 0.954 128 N CB 1.706 40.206 38.487 0.023 0.000 1.085 128 N HN 0.148 nan 8.380 nan 0.000 0.485 129 V N 2.648 122.564 119.914 0.004 0.000 2.347 129 V HA 0.076 4.196 4.120 -0.000 0.000 0.280 129 V C 0.517 176.625 176.094 0.022 0.000 1.021 129 V CA -0.542 61.761 62.300 0.005 0.000 0.847 129 V CB 1.490 33.297 31.823 -0.027 0.000 0.990 129 V HN 0.652 nan 8.190 nan 0.000 0.444 130 D N 2.957 123.374 120.400 0.028 0.000 2.084 130 D HA -0.033 4.607 4.640 -0.000 0.000 0.194 130 D C 0.506 176.826 176.300 0.033 0.000 0.990 130 D CA 1.945 55.964 54.000 0.031 0.000 0.826 130 D CB 0.260 41.080 40.800 0.032 0.000 0.971 130 D HN 0.919 nan 8.370 nan 0.000 0.453 131 D N -3.583 116.836 120.400 0.033 0.000 2.622 131 D HA 0.118 4.758 4.640 -0.000 0.000 0.255 131 D C -0.370 175.949 176.300 0.031 0.000 1.246 131 D CA -0.588 53.432 54.000 0.034 0.000 0.795 131 D CB 0.690 41.509 40.800 0.032 0.000 1.369 131 D HN -0.116 nan 8.370 nan 0.000 0.425 132 T N -2.063 112.510 114.554 0.031 0.000 3.273 132 T HA 0.257 4.607 4.350 -0.000 0.000 0.254 132 T C 0.673 175.388 174.700 0.025 0.000 1.002 132 T CA -0.054 62.061 62.100 0.025 0.000 0.913 132 T CB -0.443 68.443 68.868 0.029 0.000 1.056 132 T HN 0.216 nan 8.240 nan 0.000 0.576 133 S N 1.277 116.995 115.700 0.030 0.000 2.395 133 S HA 0.103 4.573 4.470 -0.000 0.000 0.225 133 S C 1.179 175.802 174.600 0.039 0.000 1.027 133 S CA 0.037 58.257 58.200 0.032 0.000 0.965 133 S CB -0.010 63.210 63.200 0.033 0.000 0.812 133 S HN 0.612 nan 8.310 nan 0.000 0.482 134 S N 1.486 117.213 115.700 0.045 0.000 2.617 134 S HA 0.354 4.824 4.470 -0.000 0.000 0.269 134 S C 0.382 175.012 174.600 0.050 0.000 1.292 134 S CA -0.605 57.633 58.200 0.063 0.000 1.010 134 S CB 0.698 63.945 63.200 0.078 0.000 0.944 134 S HN 0.309 nan 8.310 nan 0.000 0.536 135 R N 0.636 121.182 120.500 0.076 0.000 2.637 135 R HA 0.472 4.812 4.340 -0.000 0.000 0.269 135 R C -0.434 175.849 176.300 -0.029 0.000 1.089 135 R CA -0.214 55.879 56.100 -0.012 0.000 1.177 135 R CB 0.320 30.631 30.300 0.018 0.000 1.091 135 R HN 0.492 nan 8.270 nan 0.000 0.540 136 T N 1.258 115.640 114.554 -0.288 0.000 2.886 136 T HA 0.473 4.823 4.350 -0.000 0.000 0.292 136 T C -1.299 173.194 174.700 -0.345 0.000 1.012 136 T CA -0.695 61.324 62.100 -0.135 0.000 0.982 136 T CB 0.820 69.648 68.868 -0.066 0.000 1.018 136 T HN 0.377 nan 8.240 nan 0.000 0.451 137 Y N 0.950 121.302 120.300 0.086 0.000 2.477 137 Y HA 0.591 5.141 4.550 -0.000 0.000 0.347 137 Y C -0.377 175.618 175.900 0.159 0.000 0.981 137 Y CA -1.407 56.761 58.100 0.113 0.000 1.033 137 Y CB 1.530 40.054 38.460 0.106 0.000 1.245 137 Y HN 0.372 nan 8.280 nan 0.000 0.455 138 L N 3.174 124.611 121.223 0.355 0.000 2.275 138 L HA 0.415 4.755 4.340 -0.000 0.000 0.288 138 L C -0.875 176.313 176.870 0.529 0.000 1.046 138 L CA -0.264 54.836 54.840 0.433 0.000 0.805 138 L CB 0.955 43.276 42.059 0.435 0.000 1.193 138 L HN 0.607 nan 8.230 nan 0.000 0.426 139 D N 4.662 125.360 120.400 0.497 0.000 2.593 139 D HA 0.590 5.230 4.640 -0.000 0.000 0.251 139 D C -1.175 175.381 176.300 0.427 0.000 1.140 139 D CA -0.139 54.064 54.000 0.339 0.000 0.855 139 D CB 1.264 42.183 40.800 0.199 0.000 1.267 139 D HN 0.258 nan 8.370 nan 0.000 0.532 140 F N 0.627 120.684 119.950 0.179 0.000 2.744 140 F HA 0.671 5.198 4.527 -0.000 0.000 0.311 140 F C -1.293 174.602 175.800 0.158 0.000 1.144 140 F CA -0.903 57.189 58.000 0.155 0.000 0.938 140 F CB 0.697 39.798 39.000 0.167 0.000 1.292 140 F HN 0.202 nan 8.300 nan 0.000 0.444 141 S N -0.490 115.342 115.700 0.221 0.000 2.776 141 S HA 0.820 5.290 4.470 -0.000 0.000 0.292 141 S C 0.092 174.795 174.600 0.172 0.000 1.187 141 S CA -0.556 57.729 58.200 0.142 0.000 0.834 141 S CB 1.028 64.259 63.200 0.052 0.000 1.199 141 S HN 2.643 nan 8.310 nan 0.000 0.514 142 G N -0.609 108.239 108.800 0.081 0.000 2.130 142 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.216 142 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.216 142 G C -0.058 174.810 174.900 -0.053 0.000 0.999 142 G CA -0.060 45.033 45.100 -0.012 0.000 0.686 142 G HN 1.929 nan 8.290 nan 0.000 0.515 143 V N 1.489 121.397 119.914 -0.010 0.000 2.364 143 V HA 0.758 4.878 4.120 -0.000 0.000 0.272 143 V C 0.330 176.376 176.094 -0.081 0.000 1.036 143 V CA -1.001 61.254 62.300 -0.074 0.000 0.880 143 V CB 0.750 32.549 31.823 -0.040 0.000 0.991 143 V HN 0.454 nan 8.190 nan 0.000 0.460 144 L N 6.131 127.288 121.223 -0.110 0.000 2.280 144 L HA 0.548 4.888 4.340 -0.000 0.000 0.287 144 L C 1.052 177.890 176.870 -0.054 0.000 1.023 144 L CA -0.191 54.593 54.840 -0.093 0.000 0.819 144 L CB 1.448 43.446 42.059 -0.102 0.000 1.212 144 L HN 0.796 nan 8.230 nan 0.000 0.420 145 S N 1.701 117.390 115.700 -0.019 0.000 2.502 145 S HA 0.163 4.633 4.470 -0.000 0.000 0.215 145 S C 0.298 174.864 174.600 -0.057 0.000 1.009 145 S CA -0.190 57.976 58.200 -0.055 0.000 0.908 145 S CB 0.185 63.349 63.200 -0.060 0.000 0.801 145 S HN 0.818 nan 8.310 nan 0.000 0.505 146 K N -0.769 119.624 120.400 -0.010 0.000 2.736 146 K HA 0.698 5.018 4.320 -0.000 0.000 0.290 146 K C -1.850 174.801 176.600 0.085 0.000 1.033 146 K CA -0.894 55.376 56.287 -0.029 0.000 0.852 146 K CB 0.748 33.160 32.500 -0.147 0.000 1.494 146 K HN 0.248 nan 8.250 nan 0.000 0.378 147 A N 1.138 124.004 122.820 0.076 0.000 2.574 147 A HA 0.535 4.855 4.320 -0.000 0.000 0.297 147 A C -1.713 175.954 177.584 0.138 0.000 1.062 147 A CA -0.885 51.277 52.037 0.208 0.000 0.686 147 A CB 1.334 20.477 19.000 0.238 0.000 1.285 147 A HN 0.680 nan 8.150 nan 0.000 0.403 148 D N 0.697 121.228 120.400 0.218 0.000 2.304 148 D HA 0.461 5.101 4.640 -0.000 0.000 0.247 148 D C -0.417 175.944 176.300 0.102 0.000 1.089 148 D CA 0.251 54.319 54.000 0.113 0.000 0.910 148 D CB 1.713 42.652 40.800 0.233 0.000 1.199 148 D HN 0.217 nan 8.370 nan 0.000 0.426 149 V N 1.696 121.559 119.914 -0.086 0.000 2.531 149 V HA 0.400 4.520 4.120 -0.000 0.000 0.301 149 V C -0.953 175.014 176.094 -0.212 0.000 1.034 149 V CA -0.882 61.296 62.300 -0.203 0.000 0.865 149 V CB 1.588 33.270 31.823 -0.234 0.000 0.995 149 V HN 0.492 nan 8.190 nan 0.000 0.424 150 W N 2.735 123.953 121.300 -0.137 0.000 2.785 150 W HA 0.802 5.462 4.660 -0.000 0.000 0.333 150 W C -0.925 175.540 176.519 -0.091 0.000 1.062 150 W CA -0.688 56.632 57.345 -0.041 0.000 1.233 150 W CB 2.316 31.814 29.460 0.064 0.000 1.413 150 W HN 0.330 nan 8.180 nan 0.000 0.489 151 V N 4.079 124.089 119.914 0.160 0.000 2.569 151 V HA 0.237 4.357 4.120 -0.000 0.000 0.301 151 V C -0.246 175.909 176.094 0.102 0.000 1.044 151 V CA -1.351 60.995 62.300 0.077 0.000 0.874 151 V CB 1.596 33.424 31.823 0.009 0.000 1.002 151 V HN 0.711 nan 8.190 nan 0.000 0.424 152 N N 3.677 122.427 118.700 0.085 0.000 2.710 152 N HA -0.225 4.515 4.740 -0.000 0.000 0.249 152 N C 1.162 176.743 175.510 0.120 0.000 1.059 152 N CA 1.750 54.863 53.050 0.105 0.000 0.720 152 N CB -1.036 37.536 38.487 0.141 0.000 0.983 152 N HN 1.663 nan 8.380 nan 0.000 0.544 153 G N -2.823 106.068 108.800 0.152 0.000 2.176 153 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.253 153 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.253 153 G C 0.086 175.219 174.900 0.388 0.000 0.979 153 G CA 0.577 45.796 45.100 0.198 0.000 0.641 153 G HN 0.524 nan 8.290 nan 0.000 0.530 154 T N 0.877 115.622 114.554 0.318 0.000 2.797 154 T HA 0.507 4.857 4.350 -0.000 0.000 0.279 154 T C 0.034 174.690 174.700 -0.073 0.000 0.991 154 T CA -0.486 61.704 62.100 0.149 0.000 0.979 154 T CB 1.956 70.853 68.868 0.048 0.000 0.943 154 T HN 0.287 nan 8.240 nan 0.000 0.444 155 K N 3.381 123.422 120.400 -0.598 0.000 2.292 155 K HA 0.231 4.551 4.320 -0.000 0.000 0.290 155 K C 1.208 177.509 176.600 -0.498 0.000 1.083 155 K CA -0.283 55.346 56.287 -1.097 0.000 0.918 155 K CB 0.393 31.936 32.500 -1.595 0.000 1.089 155 K HN 0.525 nan 8.250 nan 0.000 0.473 156 V N 1.158 120.859 119.914 -0.354 0.000 3.174 156 V HA 0.333 4.453 4.120 -0.000 0.000 0.254 156 V C 0.407 176.413 176.094 -0.145 0.000 1.120 156 V CA 0.601 62.792 62.300 -0.181 0.000 1.114 156 V CB -0.098 31.664 31.823 -0.101 0.000 0.756 156 V HN 0.605 nan 8.190 nan 0.000 0.467 157 A N 0.319 123.027 122.820 -0.187 0.000 2.606 157 A HA 0.743 5.062 4.320 -0.000 0.000 0.293 157 A C -0.201 177.288 177.584 -0.158 0.000 1.082 157 A CA 0.123 52.086 52.037 -0.122 0.000 0.685 157 A CB 1.336 20.314 19.000 -0.038 0.000 1.284 157 A HN 0.649 nan 8.150 nan 0.000 0.408 158 T N -1.576 112.906 114.554 -0.121 0.000 2.952 158 T HA 0.460 4.809 4.350 -0.000 0.000 0.286 158 T C 0.892 175.526 174.700 -0.110 0.000 1.024 158 T CA 0.018 62.050 62.100 -0.113 0.000 1.029 158 T CB 1.287 70.092 68.868 -0.105 0.000 1.094 158 T HN 0.905 nan 8.240 nan 0.000 0.515 159 K N 0.660 120.974 120.400 -0.144 0.000 2.281 159 K HA -0.142 4.178 4.320 -0.000 0.000 0.203 159 K C 1.031 177.496 176.600 -0.225 0.000 1.046 159 K CA 1.602 57.742 56.287 -0.244 0.000 0.938 159 K CB -0.271 31.864 32.500 -0.609 0.000 0.737 159 K HN 0.515 nan 8.250 nan 0.000 0.458 160 D N 0.862 121.154 120.400 -0.179 0.000 2.219 160 D HA -0.156 4.483 4.640 -0.000 0.000 0.205 160 D C 1.919 178.157 176.300 -0.104 0.000 0.970 160 D CA 1.124 55.039 54.000 -0.141 0.000 0.851 160 D CB 0.145 40.877 40.800 -0.113 0.000 0.943 160 D HN 0.558 nan 8.370 nan 0.000 0.488 161 Q N 0.304 120.050 119.800 -0.091 0.000 2.159 161 Q HA 0.004 4.344 4.340 -0.000 0.000 0.194 161 Q C 0.395 176.355 176.000 -0.066 0.000 0.968 161 Q CA 0.281 56.053 55.803 -0.051 0.000 0.837 161 Q CB 0.604 29.319 28.738 -0.039 0.000 0.920 161 Q HN -0.089 nan 8.270 nan 0.000 0.485 162 V N 3.404 123.206 119.914 -0.186 0.000 2.341 162 V HA 0.135 4.255 4.120 -0.000 0.000 0.248 162 V C -0.389 175.618 176.094 -0.145 0.000 1.107 162 V CA 0.024 62.089 62.300 -0.391 0.000 1.069 162 V CB -0.266 31.420 31.823 -0.229 0.000 1.177 162 V HN 0.293 nan 8.190 nan 0.000 0.492 163 N N 3.578 122.260 118.700 -0.031 0.000 2.455 163 N HA 0.554 5.293 4.740 -0.000 0.000 0.285 163 N C -0.513 174.990 175.510 -0.011 0.000 1.080 163 N CA 0.579 53.599 53.050 -0.050 0.000 0.932 163 N CB 2.223 40.647 38.487 -0.105 0.000 1.610 163 N HN 0.806 nan 8.380 nan 0.000 0.493 164 G N 1.566 110.329 108.800 -0.061 0.000 3.209 164 G HA2 0.138 4.098 3.960 -0.000 0.000 0.686 164 G HA3 0.138 4.098 3.960 -0.000 0.000 0.686 164 G C 0.776 175.665 174.900 -0.019 0.000 1.065 164 G CA -0.006 45.052 45.100 -0.070 0.000 0.812 164 G HN 0.900 nan 8.290 nan 0.000 0.573 165 A N 1.866 124.614 122.820 -0.121 0.000 1.986 165 A HA -0.000 4.320 4.320 -0.000 0.000 0.220 165 A C 1.789 179.231 177.584 -0.237 0.000 1.171 165 A CA 2.496 54.379 52.037 -0.257 0.000 0.640 165 A CB -0.319 18.370 19.000 -0.518 0.000 0.811 165 A HN 1.158 nan 8.150 nan 0.000 0.451 166 Y N 0.449 120.834 120.300 0.142 0.000 2.462 166 Y HA 0.079 4.629 4.550 -0.000 0.000 0.261 166 Y C 1.283 177.226 175.900 0.072 0.000 1.146 166 Y CA 0.344 58.530 58.100 0.145 0.000 1.283 166 Y CB 0.042 38.659 38.460 0.262 0.000 1.090 166 Y HN 0.292 nan 8.280 nan 0.000 0.526 167 T N -0.098 114.543 114.554 0.145 0.000 2.851 167 T HA 0.195 4.545 4.350 -0.000 0.000 0.298 167 T C -0.103 174.396 174.700 -0.336 0.000 0.977 167 T CA -0.844 61.224 62.100 -0.054 0.000 1.126 167 T CB 1.519 70.358 68.868 -0.048 0.000 0.916 167 T HN 0.202 nan 8.240 nan 0.000 0.529 168 R N 2.129 122.384 120.500 -0.409 0.000 2.459 168 R HA 0.306 4.646 4.340 -0.000 0.000 0.281 168 R C -0.620 175.128 176.300 -0.920 0.000 1.050 168 R CA -0.661 55.152 56.100 -0.478 0.000 1.055 168 R CB 0.502 30.693 30.300 -0.182 0.000 1.045 168 R HN 0.795 nan 8.270 nan 0.000 0.495 169 H N 1.911 120.723 119.070 -0.430 0.000 2.667 169 H HA 0.182 4.738 4.556 -0.000 0.000 0.353 169 H C -1.275 173.890 175.328 -0.272 0.000 1.072 169 H CA -0.809 54.980 56.048 -0.431 0.000 1.214 169 H CB 2.181 31.494 29.762 -0.749 0.000 1.600 169 H HN 0.564 nan 8.280 nan 0.000 0.527 170 D N 3.877 124.294 120.400 0.028 0.000 2.404 170 D HA 0.216 4.856 4.640 -0.000 0.000 0.267 170 D C -0.712 175.718 176.300 0.216 0.000 1.194 170 D CA -0.405 53.666 54.000 0.119 0.000 0.910 170 D CB 0.228 41.066 40.800 0.063 0.000 1.090 170 D HN 0.368 nan 8.370 nan 0.000 0.511 171 L N 2.381 123.778 121.223 0.289 0.000 2.255 171 L HA 0.332 4.672 4.340 -0.000 0.000 0.289 171 L C 0.417 177.416 176.870 0.215 0.000 1.046 171 L CA -0.819 54.168 54.840 0.245 0.000 0.816 171 L CB 1.153 43.367 42.059 0.258 0.000 1.197 171 L HN 0.207 nan 8.230 nan 0.000 0.427 172 D N 4.929 125.415 120.400 0.143 0.000 2.344 172 D HA 0.128 4.768 4.640 -0.000 0.000 0.253 172 D C 0.644 176.864 176.300 -0.135 0.000 1.255 172 D CA -0.052 53.881 54.000 -0.110 0.000 0.894 172 D CB 0.966 41.727 40.800 -0.065 0.000 1.067 172 D HN 0.548 nan 8.370 nan 0.000 0.492 173 I N 0.602 121.057 120.570 -0.192 0.000 3.877 173 I HA 0.152 4.322 4.170 -0.000 0.000 0.332 173 I C 1.117 177.157 176.117 -0.129 0.000 1.525 173 I CA -0.527 60.708 61.300 -0.107 0.000 1.146 173 I CB 0.394 38.367 38.000 -0.045 0.000 1.137 173 I HN -0.017 nan 8.210 nan 0.000 0.424 174 T N 1.564 116.002 114.554 -0.194 0.000 2.720 174 T HA -0.131 4.219 4.350 -0.000 0.000 0.268 174 T C 2.095 176.751 174.700 -0.074 0.000 1.037 174 T CA 1.983 63.992 62.100 -0.151 0.000 1.144 174 T CB -0.090 68.670 68.868 -0.180 0.000 0.864 174 T HN 0.628 nan 8.240 nan 0.000 0.444 175 A N 0.745 123.529 122.820 -0.060 0.000 2.067 175 A HA -0.068 4.251 4.320 -0.000 0.000 0.219 175 A C 2.192 179.773 177.584 -0.006 0.000 1.158 175 A CA 1.191 53.213 52.037 -0.025 0.000 0.661 175 A CB -0.379 18.608 19.000 -0.023 0.000 0.801 175 A HN 0.386 nan 8.150 nan 0.000 0.452 176 Q N -1.104 118.687 119.800 -0.016 0.000 2.376 176 Q HA 0.226 4.566 4.340 -0.000 0.000 0.206 176 Q C 0.288 176.293 176.000 0.008 0.000 0.921 176 Q CA 0.258 56.065 55.803 0.008 0.000 0.911 176 Q CB 0.300 29.036 28.738 -0.004 0.000 1.032 176 Q HN 0.386 nan 8.270 nan 0.000 0.510 177 V N 2.115 122.009 119.914 -0.033 0.000 2.785 177 V HA 0.242 4.362 4.120 -0.000 0.000 0.300 177 V C 0.067 176.143 176.094 -0.030 0.000 1.062 177 V CA -0.546 61.695 62.300 -0.099 0.000 1.029 177 V CB 1.122 32.880 31.823 -0.109 0.000 1.024 177 V HN 0.419 nan 8.190 nan 0.000 0.477 178 H N 0.452 119.525 119.070 0.006 0.000 2.941 178 H HA 0.669 5.225 4.556 -0.000 0.000 0.344 178 H C -0.167 175.168 175.328 0.011 0.000 1.235 178 H CA -0.504 55.548 56.048 0.007 0.000 1.149 178 H CB 1.621 31.387 29.762 0.007 0.000 1.885 178 H HN 0.668 nan 8.280 nan 0.000 0.558 179 T N -0.109 114.575 114.554 0.217 0.000 2.919 179 T HA 0.463 4.813 4.350 -0.000 0.000 0.302 179 T C 1.148 175.960 174.700 0.187 0.000 1.031 179 T CA 1.075 63.257 62.100 0.136 0.000 1.127 179 T CB -0.324 nan 68.868 nan 0.000 0.952 179 T HN 1.152 nan 8.240 nan 0.000 0.540 180 G N 0.864 109.725 108.800 0.102 0.000 2.488 180 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.237 180 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.237 180 G C -0.041 174.907 174.900 0.079 0.000 1.209 180 G CA -0.146 45.011 45.100 0.094 0.000 0.929 180 G HN 1.494 nan 8.290 nan 0.000 0.578 181 V N 3.135 123.113 119.914 0.107 0.000 2.415 181 V HA 0.298 4.418 4.120 -0.000 0.000 0.267 181 V C 0.710 176.855 176.094 0.085 0.000 1.042 181 V CA 0.001 62.347 62.300 0.078 0.000 1.000 181 V CB 0.313 32.179 31.823 0.072 0.000 1.015 181 V HN 0.578 nan 8.190 nan 0.000 0.478 182 N N 2.914 121.587 118.700 -0.046 0.000 2.459 182 N HA 0.579 5.319 4.740 -0.000 0.000 0.288 182 N C -0.703 174.798 175.510 -0.014 0.000 1.186 182 N CA -0.575 52.407 53.050 -0.113 0.000 0.917 182 N CB 2.038 40.377 38.487 -0.247 0.000 1.219 182 N HN 0.556 nan 8.380 nan 0.000 0.525 183 S N 0.369 116.070 115.700 0.002 0.000 2.542 183 S HA 0.583 5.053 4.470 -0.000 0.000 0.293 183 S C -0.678 173.941 174.600 0.031 0.000 1.089 183 S CA -0.657 57.558 58.200 0.025 0.000 0.961 183 S CB 2.093 65.302 63.200 0.015 0.000 1.062 183 S HN 0.244 nan 8.310 nan 0.000 0.483 184 V N 1.349 121.303 119.914 0.067 0.000 2.709 184 V HA 0.912 5.032 4.120 -0.000 0.000 0.308 184 V C -0.523 175.642 176.094 0.119 0.000 1.062 184 V CA -0.597 61.737 62.300 0.056 0.000 0.901 184 V CB 1.654 33.514 31.823 0.062 0.000 1.003 184 V HN 1.038 nan 8.190 nan 0.000 0.425 185 A N 3.821 126.699 122.820 0.097 0.000 2.422 185 A HA 0.914 5.234 4.320 -0.000 0.000 0.302 185 A C -1.416 176.326 177.584 0.263 0.000 1.041 185 A CA -0.404 51.817 52.037 0.307 0.000 0.708 185 A CB 1.200 20.396 19.000 0.327 0.000 1.257 185 A HN 0.607 nan 8.150 nan 0.000 0.414 186 F N 1.395 121.600 119.950 0.425 0.000 2.415 186 F HA 0.476 5.003 4.527 -0.000 0.000 0.348 186 F C 0.709 176.536 175.800 0.045 0.000 1.119 186 F CA -0.284 57.838 58.000 0.203 0.000 1.069 186 F CB 1.980 40.964 39.000 -0.027 0.000 1.124 186 F HN 0.546 nan 8.300 nan 0.000 0.472 187 K N 4.064 124.368 120.400 -0.160 0.000 2.266 187 K HA 0.507 4.827 4.320 -0.000 0.000 0.274 187 K C -1.388 175.058 176.600 -0.257 0.000 1.090 187 K CA -0.316 55.497 56.287 -0.789 0.000 0.925 187 K CB 0.664 32.409 32.500 -1.258 0.000 1.225 187 K HN 0.519 nan 8.250 nan 0.000 0.458 188 V N 5.720 125.535 119.914 -0.165 0.000 2.394 188 V HA 0.242 4.362 4.120 -0.000 0.000 0.282 188 V C -0.505 175.569 176.094 -0.033 0.000 1.031 188 V CA -0.766 61.533 62.300 -0.001 0.000 0.881 188 V CB 0.488 32.288 31.823 -0.039 0.000 0.982 188 V HN 0.595 nan 8.190 nan 0.000 0.451 189 Y N 5.148 125.431 120.300 -0.029 0.000 2.301 189 Y HA 0.357 4.907 4.550 -0.000 0.000 0.325 189 Y C -1.829 174.076 175.900 0.008 0.000 1.203 189 Y CA -2.225 55.869 58.100 -0.009 0.000 1.255 189 Y CB 1.004 39.444 38.460 -0.032 0.000 1.232 189 Y HN 0.475 nan 8.280 nan 0.000 0.501 190 P HA -0.114 nan 4.420 nan 0.000 0.267 190 P C -0.969 176.372 177.300 0.067 0.000 1.195 190 P CA 0.229 63.394 63.100 0.108 0.000 0.773 190 P CB 0.471 32.241 31.700 0.117 0.000 0.837 191 N N 1.630 120.345 118.700 0.025 0.000 2.424 191 N HA 0.251 4.991 4.740 -0.000 0.000 0.271 191 N C -1.506 173.993 175.510 -0.018 0.000 0.985 191 N CA -0.386 52.656 53.050 -0.013 0.000 0.921 191 N CB 0.416 38.882 38.487 -0.035 0.000 1.149 191 N HN 0.164 nan 8.380 nan 0.000 0.492 192 D N 4.137 124.515 120.400 -0.037 0.000 2.462 192 D HA 0.350 4.990 4.640 -0.000 0.000 0.245 192 D C -1.979 174.276 176.300 -0.075 0.000 1.122 192 D CA -2.233 51.741 54.000 -0.043 0.000 0.864 192 D CB 1.901 42.680 40.800 -0.034 0.000 1.098 192 D HN 0.361 nan 8.370 nan 0.000 0.541 193 P HA -0.036 nan 4.420 nan 0.000 0.230 193 P C 0.363 177.610 177.300 -0.088 0.000 1.158 193 P CA 0.692 63.737 63.100 -0.092 0.000 0.769 193 P CB 0.369 32.013 31.700 -0.094 0.000 0.807 194 N N -0.385 118.273 118.700 -0.071 0.000 2.416 194 N HA -0.012 4.728 4.740 -0.000 0.000 0.177 194 N C 2.058 177.509 175.510 -0.099 0.000 1.036 194 N CA 0.165 53.178 53.050 -0.062 0.000 0.901 194 N CB -0.069 38.396 38.487 -0.037 0.000 0.976 194 N HN 0.088 nan 8.380 nan 0.000 0.444 195 R N 0.382 120.808 120.500 -0.124 0.000 2.221 195 R HA 0.101 4.441 4.340 -0.000 0.000 0.195 195 R C -0.745 175.410 176.300 -0.241 0.000 0.956 195 R CA 0.406 56.413 56.100 -0.155 0.000 1.064 195 R CB 0.585 30.819 30.300 -0.111 0.000 1.049 195 R HN 0.052 nan 8.270 nan 0.000 0.534 196 D N 1.320 121.576 120.400 -0.240 0.000 2.185 196 D HA 0.180 4.820 4.640 -0.000 0.000 0.247 196 D C -0.560 175.487 176.300 -0.422 0.000 1.027 196 D CA -0.407 53.412 54.000 -0.301 0.000 0.861 196 D CB 2.160 42.838 40.800 -0.204 0.000 1.202 196 D HN 0.093 nan 8.370 nan 0.000 0.453 197 L N 2.073 122.938 121.223 -0.596 0.000 2.448 197 L HA 0.108 4.448 4.340 -0.000 0.000 0.278 197 L C 0.964 177.626 176.870 -0.347 0.000 1.201 197 L CA 0.300 54.573 54.840 -0.945 0.000 1.036 197 L CB -0.174 41.111 42.059 -1.290 0.000 1.325 197 L HN 0.231 nan 8.230 nan 0.000 0.441 198 S N 2.334 117.994 115.700 -0.067 0.000 4.199 198 S HA 0.716 5.186 4.470 -0.000 0.000 0.257 198 S C -0.691 173.963 174.600 0.091 0.000 1.079 198 S CA -0.599 57.593 58.200 -0.014 0.000 1.498 198 S CB 1.015 64.142 63.200 -0.123 0.000 1.260 198 S HN 0.379 nan 8.310 nan 0.000 0.749 199 M N 0.929 120.435 119.600 -0.157 0.000 2.386 199 M HA 0.647 5.127 4.480 -0.000 0.000 0.293 199 M C -0.221 175.811 176.300 -0.446 0.000 1.120 199 M CA -0.744 54.320 55.300 -0.393 0.000 0.909 199 M CB 2.046 34.275 32.600 -0.619 0.000 1.661 199 M HN 0.681 nan 8.290 nan 0.000 0.452 200 G N 0.365 108.836 108.800 -0.547 0.000 2.730 200 G HA2 0.650 4.609 3.960 -0.000 0.000 0.289 200 G HA3 0.650 4.609 3.960 -0.000 0.000 0.289 200 G C -1.625 172.902 174.900 -0.622 0.000 1.341 200 G CA -0.530 44.297 45.100 -0.455 0.000 0.932 200 G HN 0.943 nan 8.290 nan 0.000 0.481 201 W N 0.398 121.599 121.300 -0.164 0.000 3.123 201 W HA 0.391 5.050 4.660 -0.000 0.000 0.383 201 W C 1.344 177.625 176.519 -0.396 0.000 1.102 201 W CA -0.419 56.748 57.345 -0.296 0.000 1.865 201 W CB -0.447 28.873 29.460 -0.233 0.000 1.111 201 W HN 0.484 nan 8.180 nan 0.000 0.621 202 I N 0.969 121.453 120.570 -0.143 0.000 4.907 202 I HA -0.497 3.673 4.170 -0.000 0.000 0.038 202 I C 1.332 177.517 176.117 0.114 0.000 0.635 202 I CA 2.055 63.315 61.300 -0.067 0.000 0.208 202 I CB -0.892 36.996 38.000 -0.188 0.000 0.321 202 I HN 0.076 nan 8.210 nan 0.000 0.150 203 D N -0.997 119.595 120.400 0.320 0.000 2.571 203 D HA 0.100 4.740 4.640 -0.000 0.000 0.239 203 D C 0.869 177.568 176.300 0.665 0.000 1.267 203 D CA -0.272 54.008 54.000 0.467 0.000 0.823 203 D CB -0.301 40.849 40.800 0.583 0.000 1.056 203 D HN 0.554 nan 8.370 nan 0.000 0.494 204 W N 1.791 123.313 121.300 0.371 0.000 2.402 204 W HA 0.443 5.103 4.660 -0.000 0.000 0.286 204 W C 1.297 177.875 176.519 0.098 0.000 1.221 204 W CA 0.630 58.166 57.345 0.319 0.000 1.257 204 W CB -0.632 28.964 29.460 0.227 0.000 1.120 204 W HN 0.266 nan 8.180 nan 0.000 0.551 205 A N -1.490 121.375 122.820 0.075 0.000 3.508 205 A HA 0.551 4.871 4.320 -0.000 0.000 0.169 205 A C -0.453 176.817 177.584 -0.524 0.000 0.817 205 A CA -0.332 51.466 52.037 -0.399 0.000 1.256 205 A CB 0.491 18.812 19.000 -1.132 0.000 2.053 205 A HN -0.150 nan 8.150 nan 0.000 0.825 206 Q N 0.123 119.342 119.800 -0.968 0.000 2.451 206 Q HA 0.491 4.831 4.340 -0.000 0.000 0.281 206 Q C -1.389 174.282 176.000 -0.549 0.000 1.099 206 Q CA -0.504 54.883 55.803 -0.692 0.000 0.806 206 Q CB 1.616 29.807 28.738 -0.913 0.000 1.419 206 Q HN 0.623 nan 8.270 nan 0.000 0.427 207 T N 3.352 117.750 114.554 -0.260 0.000 2.834 207 T HA 0.266 4.616 4.350 -0.000 0.000 0.298 207 T C -2.268 172.340 174.700 -0.153 0.000 0.966 207 T CA -0.828 61.189 62.100 -0.137 0.000 1.141 207 T CB 0.060 68.904 68.868 -0.040 0.000 0.905 207 T HN 0.184 nan 8.240 nan 0.000 0.535 208 P HA 0.187 nan 4.420 nan 0.000 0.271 208 P C -1.900 175.301 177.300 -0.165 0.000 1.216 208 P CA -1.583 61.491 63.100 -0.045 0.000 0.771 208 P CB 0.200 31.967 31.700 0.111 0.000 0.864 209 P HA -0.210 nan 4.420 nan 0.000 0.217 209 P C 0.740 177.788 177.300 -0.420 0.000 1.151 209 P CA 1.698 64.560 63.100 -0.397 0.000 0.849 209 P CB -0.097 31.188 31.700 -0.691 0.000 0.787 210 D N -2.010 117.914 120.400 -0.793 0.000 2.369 210 D HA -0.001 4.638 4.640 -0.000 0.000 0.211 210 D C 0.609 176.727 176.300 -0.303 0.000 1.077 210 D CA -0.143 53.334 54.000 -0.872 0.000 0.842 210 D CB -0.800 39.191 40.800 -1.349 0.000 0.947 210 D HN 0.071 nan 8.370 nan 0.000 0.509 211 Q N 0.469 120.171 119.800 -0.163 0.000 2.475 211 Q HA -0.271 4.069 4.340 -0.000 0.000 0.280 211 Q C -0.572 175.434 176.000 0.009 0.000 1.234 211 Q CA 0.831 56.622 55.803 -0.020 0.000 0.873 211 Q CB -1.585 27.144 28.738 -0.015 0.000 1.256 211 Q HN 0.321 nan 8.270 nan 0.000 0.475 212 N N -1.994 116.720 118.700 0.023 0.000 2.800 212 N HA -0.225 4.514 4.740 -0.000 0.000 0.250 212 N C 0.190 175.690 175.510 -0.017 0.000 1.078 212 N CA 1.685 54.772 53.050 0.062 0.000 0.804 212 N CB -1.859 36.716 38.487 0.146 0.000 1.135 212 N HN 0.755 nan 8.380 nan 0.000 0.565 213 M N -0.944 118.611 119.600 -0.074 0.000 2.252 213 M HA 0.423 4.903 4.480 -0.000 0.000 0.333 213 M C 1.042 177.309 176.300 -0.056 0.000 1.111 213 M CA 1.170 56.433 55.300 -0.062 0.000 1.140 213 M CB 0.816 33.389 32.600 -0.044 0.000 1.538 213 M HN 0.234 nan 8.290 nan 0.000 0.448 214 G N 2.791 111.528 108.800 -0.104 0.000 2.260 214 G HA2 0.204 4.164 3.960 -0.000 0.000 0.250 214 G HA3 0.204 4.164 3.960 -0.000 0.000 0.250 214 G C -1.524 173.131 174.900 -0.409 0.000 1.340 214 G CA -0.807 44.147 45.100 -0.244 0.000 1.056 214 G HN 0.894 nan 8.290 nan 0.000 0.471 215 I N 1.744 122.034 120.570 -0.468 0.000 2.493 215 I HA 0.346 4.516 4.170 -0.000 0.000 0.279 215 I C 1.049 177.074 176.117 -0.153 0.000 1.045 215 I CA -0.756 60.298 61.300 -0.410 0.000 1.106 215 I CB 1.774 39.335 38.000 -0.731 0.000 1.216 215 I HN 0.730 nan 8.210 nan 0.000 0.459 216 V N 1.957 121.827 119.914 -0.074 0.000 3.621 216 V HA 0.392 4.512 4.120 -0.000 0.000 0.285 216 V C 0.767 176.868 176.094 0.012 0.000 1.346 216 V CA 0.282 62.590 62.300 0.014 0.000 1.104 216 V CB -0.400 31.444 31.823 0.035 0.000 0.913 216 V HN 0.658 nan 8.190 nan 0.000 0.432 217 R N 0.231 120.728 120.500 -0.005 0.000 2.919 217 R HA 0.510 4.850 4.340 -0.000 0.000 0.260 217 R C -0.974 175.356 176.300 0.050 0.000 1.067 217 R CA -0.945 55.154 56.100 -0.002 0.000 1.003 217 R CB 0.789 31.096 30.300 0.011 0.000 1.192 217 R HN 0.169 nan 8.270 nan 0.000 0.488 218 D N 0.863 121.303 120.400 0.067 0.000 2.472 218 D HA 0.038 4.678 4.640 -0.000 0.000 0.237 218 D C -0.379 176.028 176.300 0.178 0.000 1.141 218 D CA 0.296 54.374 54.000 0.129 0.000 0.875 218 D CB 0.792 41.661 40.800 0.115 0.000 1.192 218 D HN 0.012 nan 8.370 nan 0.000 0.450 219 V N 3.552 123.594 119.914 0.213 0.000 2.406 219 V HA 0.185 4.305 4.120 -0.000 0.000 0.272 219 V C 0.541 176.789 176.094 0.257 0.000 1.043 219 V CA -0.632 61.829 62.300 0.269 0.000 0.915 219 V CB 0.817 32.787 31.823 0.245 0.000 0.988 219 V HN 0.272 nan 8.190 nan 0.000 0.466 220 L N 5.434 126.822 121.223 0.275 0.000 2.292 220 L HA 0.484 4.824 4.340 -0.000 0.000 0.284 220 L C -0.297 176.716 176.870 0.239 0.000 1.065 220 L CA -0.632 54.340 54.840 0.220 0.000 0.806 220 L CB 1.666 43.838 42.059 0.188 0.000 1.175 220 L HN 0.345 nan 8.230 nan 0.000 0.431 221 V N 4.439 124.469 119.914 0.193 0.000 2.364 221 V HA 0.337 4.457 4.120 -0.000 0.000 0.272 221 V C 0.277 176.477 176.094 0.177 0.000 1.036 221 V CA -0.505 61.907 62.300 0.187 0.000 0.880 221 V CB 1.030 32.939 31.823 0.143 0.000 0.991 221 V HN 0.690 nan 8.190 nan 0.000 0.460 222 R N 4.484 125.116 120.500 0.221 0.000 2.407 222 R HA 0.666 5.006 4.340 -0.000 0.000 0.303 222 R C -0.638 175.814 176.300 0.254 0.000 0.981 222 R CA -0.887 55.340 56.100 0.212 0.000 0.905 222 R CB 1.400 31.810 30.300 0.183 0.000 1.099 222 R HN 0.476 nan 8.270 nan 0.000 0.459 223 R N 1.224 121.834 120.500 0.184 0.000 2.480 223 R HA 0.429 4.769 4.340 -0.000 0.000 0.306 223 R C -0.812 175.582 176.300 0.158 0.000 0.958 223 R CA -0.678 55.526 56.100 0.175 0.000 0.861 223 R CB 1.753 32.122 30.300 0.114 0.000 1.171 223 R HN 0.912 nan 8.270 nan 0.000 0.445 224 S N -0.660 115.160 115.700 0.199 0.000 2.625 224 S HA 0.735 5.205 4.470 -0.000 0.000 0.271 224 S C 0.184 174.878 174.600 0.156 0.000 1.161 224 S CA -0.472 57.818 58.200 0.149 0.000 0.820 224 S CB 1.979 65.244 63.200 0.108 0.000 1.137 224 S HN 0.507 nan 8.310 nan 0.000 0.470 225 G N 0.564 109.431 108.800 0.110 0.000 3.022 225 G HA2 0.511 4.471 3.960 -0.000 0.000 0.157 225 G HA3 0.511 4.471 3.960 -0.000 0.000 0.157 225 G C 1.237 176.201 174.900 0.107 0.000 1.691 225 G CA -0.092 45.065 45.100 0.094 0.000 1.079 225 G HN 1.358 nan 8.290 nan 0.000 0.549 226 A N -1.617 121.251 122.820 0.080 0.000 2.015 226 A HA 0.350 4.670 4.320 -0.000 0.000 0.219 226 A C 0.820 178.453 177.584 0.083 0.000 1.163 226 A CA 0.952 53.036 52.037 0.077 0.000 0.646 226 A CB -0.288 18.745 19.000 0.054 0.000 0.806 226 A HN 0.355 nan 8.150 nan 0.000 0.448 227 V N -0.140 119.816 119.914 0.070 0.000 2.495 227 V HA 0.609 4.729 4.120 -0.000 0.000 0.298 227 V C 0.090 176.202 176.094 0.029 0.000 1.031 227 V CA -0.497 61.833 62.300 0.050 0.000 0.871 227 V CB 1.342 33.187 31.823 0.036 0.000 0.988 227 V HN 0.433 nan 8.190 nan 0.000 0.432 228 A N 5.063 127.878 122.820 -0.009 0.000 2.260 228 A HA 0.736 5.056 4.320 -0.000 0.000 0.308 228 A C -0.780 176.769 177.584 -0.059 0.000 1.254 228 A CA -0.393 51.584 52.037 -0.101 0.000 0.874 228 A CB 0.640 19.491 19.000 -0.248 0.000 1.153 228 A HN 0.784 nan 8.150 nan 0.000 0.527 229 L N 2.793 123.988 121.223 -0.047 0.000 2.290 229 L HA 0.731 5.071 4.340 -0.000 0.000 0.284 229 L C 0.145 177.002 176.870 -0.022 0.000 1.078 229 L CA 0.392 55.225 54.840 -0.011 0.000 0.815 229 L CB 0.673 42.739 42.059 0.011 0.000 1.162 229 L HN 0.819 nan 8.230 nan 0.000 0.435 230 R N 2.071 122.575 120.500 0.005 0.000 2.739 230 R HA 0.452 4.792 4.340 -0.000 0.000 0.271 230 R C 0.123 176.455 176.300 0.054 0.000 1.010 230 R CA 0.017 56.125 56.100 0.012 0.000 0.897 230 R CB 1.916 32.213 30.300 -0.005 0.000 1.236 230 R HN 0.629 nan 8.270 nan 0.000 0.466 231 S N 0.236 115.967 115.700 0.053 0.000 3.533 231 S HA -0.221 4.249 4.470 -0.000 0.000 0.347 231 S C -0.324 174.378 174.600 0.170 0.000 1.101 231 S CA 0.538 58.781 58.200 0.072 0.000 1.009 231 S CB -1.032 62.224 63.200 0.094 0.000 0.916 231 S HN 0.799 nan 8.310 nan 0.000 0.496 232 A N 2.347 125.243 122.820 0.128 0.000 2.524 232 A HA 0.503 4.823 4.320 -0.000 0.000 0.250 232 A C 0.351 178.039 177.584 0.174 0.000 1.078 232 A CA 0.768 52.880 52.037 0.126 0.000 0.761 232 A CB 0.057 19.085 19.000 0.047 0.000 1.012 232 A HN 1.018 nan 8.150 nan 0.000 0.500 233 H N -0.780 118.246 119.070 -0.073 0.000 2.960 233 H HA 0.673 5.229 4.556 -0.000 0.000 0.323 233 H C -1.936 173.266 175.328 -0.209 0.000 1.326 233 H CA -1.368 54.605 56.048 -0.125 0.000 1.124 233 H CB 0.896 30.596 29.762 -0.104 0.000 1.853 233 H HN 0.407 nan 8.280 nan 0.000 0.536 234 V N 2.320 122.060 119.914 -0.290 0.000 2.376 234 V HA 0.270 4.390 4.120 -0.000 0.000 0.287 234 V C 0.545 176.429 176.094 -0.350 0.000 1.015 234 V CA -0.631 61.357 62.300 -0.520 0.000 0.834 234 V CB 0.909 32.066 31.823 -1.111 0.000 1.001 234 V HN 0.538 nan 8.190 nan 0.000 0.428 235 I N 4.889 125.290 120.570 -0.282 0.000 2.496 235 I HA 0.292 4.461 4.170 -0.000 0.000 0.285 235 I C 0.284 176.277 176.117 -0.207 0.000 1.080 235 I CA 0.379 61.573 61.300 -0.176 0.000 1.404 235 I CB 0.681 38.610 38.000 -0.118 0.000 1.403 235 I HN 0.599 nan 8.210 nan 0.000 0.539 236 Q N 7.996 127.704 119.800 -0.153 0.000 2.290 236 Q HA 0.333 4.673 4.340 -0.000 0.000 0.269 236 Q C -1.643 174.309 176.000 -0.080 0.000 1.016 236 Q CA -0.773 54.957 55.803 -0.121 0.000 0.754 236 Q CB 2.030 30.728 28.738 -0.066 0.000 1.247 236 Q HN 0.520 nan 8.270 nan 0.000 0.451 237 K N 4.510 124.864 120.400 -0.077 0.000 2.450 237 K HA 0.357 4.677 4.320 -0.000 0.000 0.257 237 K C -1.065 175.504 176.600 -0.050 0.000 0.953 237 K CA -0.768 55.486 56.287 -0.055 0.000 0.844 237 K CB 1.152 33.627 32.500 -0.043 0.000 1.103 237 K HN 0.584 nan 8.250 nan 0.000 0.429 238 L N 4.842 126.045 121.223 -0.034 0.000 2.312 238 L HA 0.280 4.619 4.340 -0.000 0.000 0.281 238 L C 0.125 177.000 176.870 0.008 0.000 1.070 238 L CA -0.303 54.525 54.840 -0.021 0.000 0.805 238 L CB 0.895 42.939 42.059 -0.025 0.000 1.174 238 L HN 0.627 nan 8.230 nan 0.000 0.434 239 N N 1.430 120.155 118.700 0.041 0.000 2.399 239 N HA 0.018 4.758 4.740 -0.000 0.000 0.250 239 N C 0.666 176.205 175.510 0.049 0.000 1.272 239 N CA 0.301 53.387 53.050 0.060 0.000 0.928 239 N CB 0.471 39.018 38.487 0.101 0.000 1.158 239 N HN 0.615 nan 8.380 nan 0.000 0.463 240 S N -1.184 114.544 115.700 0.047 0.000 2.489 240 S HA 0.023 4.493 4.470 -0.000 0.000 0.228 240 S C 1.618 176.256 174.600 0.063 0.000 0.995 240 S CA 0.318 58.546 58.200 0.047 0.000 0.934 240 S CB -0.532 62.693 63.200 0.042 0.000 0.771 240 S HN 0.765 nan 8.310 nan 0.000 0.522 241 A N 1.515 124.375 122.820 0.067 0.000 2.119 241 A HA 0.434 4.754 4.320 -0.000 0.000 0.216 241 A C 1.340 178.983 177.584 0.097 0.000 1.152 241 A CA 0.679 52.764 52.037 0.079 0.000 0.708 241 A CB -0.794 18.248 19.000 0.070 0.000 0.805 241 A HN 0.796 nan 8.150 nan 0.000 0.460 242 L N -1.253 120.023 121.223 0.088 0.000 4.089 242 L HA -0.235 4.105 4.340 -0.000 0.000 0.408 242 L C 0.511 177.443 176.870 0.104 0.000 1.184 242 L CA 0.660 55.552 54.840 0.087 0.000 0.947 242 L CB -2.042 40.085 42.059 0.113 0.000 2.066 242 L HN 0.688 nan 8.230 nan 0.000 0.851 243 D N -1.782 118.684 120.400 0.109 0.000 2.469 243 D HA 0.123 4.763 4.640 -0.000 0.000 0.213 243 D C 0.425 176.819 176.300 0.157 0.000 1.135 243 D CA 0.220 54.290 54.000 0.117 0.000 0.834 243 D CB 0.193 41.056 40.800 0.104 0.000 1.009 243 D HN 0.572 nan 8.370 nan 0.000 0.507 244 H N 0.140 119.231 119.070 0.035 0.000 2.759 244 H HA 0.694 5.250 4.556 -0.000 0.000 0.354 244 H C -1.615 173.722 175.328 0.016 0.000 1.074 244 H CA -0.488 55.574 56.048 0.022 0.000 1.226 244 H CB 1.912 31.683 29.762 0.015 0.000 1.648 244 H HN 0.103 nan 8.280 nan 0.000 0.529 245 A N 4.104 126.625 122.820 -0.498 0.000 2.386 245 A HA 0.478 4.798 4.320 -0.000 0.000 0.311 245 A C -1.178 176.115 177.584 -0.485 0.000 1.068 245 A CA -0.849 50.979 52.037 -0.349 0.000 0.743 245 A CB 1.236 20.136 19.000 -0.168 0.000 1.258 245 A HN 0.790 nan 8.150 nan 0.000 0.429 246 D N 1.705 121.954 120.400 -0.252 0.000 2.308 246 D HA 0.466 5.106 4.640 -0.000 0.000 0.242 246 D C -1.245 174.966 176.300 -0.147 0.000 1.059 246 D CA -0.140 53.758 54.000 -0.170 0.000 0.830 246 D CB 1.947 42.710 40.800 -0.063 0.000 1.161 246 D HN 0.167 nan 8.370 nan 0.000 0.494 247 L N 2.045 123.172 121.223 -0.159 0.000 2.298 247 L HA 0.277 4.617 4.340 -0.000 0.000 0.284 247 L C 0.380 177.143 176.870 -0.178 0.000 1.013 247 L CA -0.361 54.354 54.840 -0.208 0.000 0.824 247 L CB 1.492 43.408 42.059 -0.238 0.000 1.221 247 L HN 0.195 nan 8.230 nan 0.000 0.418 248 T N 3.103 117.542 114.554 -0.192 0.000 2.947 248 T HA 0.394 4.744 4.350 -0.000 0.000 0.337 248 T C 0.098 174.674 174.700 -0.207 0.000 1.139 248 T CA -0.380 61.635 62.100 -0.141 0.000 0.992 248 T CB 0.689 69.497 68.868 -0.101 0.000 1.043 248 T HN 0.143 nan 8.240 nan 0.000 0.498 249 V N 4.633 124.432 119.914 -0.191 0.000 2.555 249 V HA 0.286 4.406 4.120 -0.000 0.000 0.286 249 V C 0.396 176.444 176.094 -0.077 0.000 1.044 249 V CA -0.065 62.068 62.300 -0.278 0.000 1.026 249 V CB 0.612 32.121 31.823 -0.522 0.000 0.981 249 V HN 0.664 nan 8.190 nan 0.000 0.480 250 K N 3.374 123.605 120.400 -0.281 0.000 2.397 250 K HA 0.837 5.157 4.320 -0.000 0.000 0.253 250 K C -0.794 175.758 176.600 -0.080 0.000 0.932 250 K CA -0.461 55.713 56.287 -0.188 0.000 0.795 250 K CB 2.368 34.631 32.500 -0.396 0.000 1.159 250 K HN 0.797 nan 8.250 nan 0.000 0.424 251 A N 2.465 125.347 122.820 0.103 0.000 2.520 251 A HA 0.489 4.809 4.320 -0.000 0.000 0.298 251 A C -1.596 176.055 177.584 0.113 0.000 1.051 251 A CA -0.871 51.243 52.037 0.129 0.000 0.690 251 A CB 1.236 20.323 19.000 0.144 0.000 1.281 251 A HN 0.611 nan 8.150 nan 0.000 0.402 252 D N 0.890 121.351 120.400 0.102 0.000 2.210 252 D HA 0.518 5.158 4.640 -0.000 0.000 0.249 252 D C -0.238 176.089 176.300 0.044 0.000 1.062 252 D CA 0.234 54.275 54.000 0.069 0.000 0.891 252 D CB 1.792 42.634 40.800 0.071 0.000 1.186 252 D HN 0.682 nan 8.370 nan 0.000 0.432 253 V N -0.100 119.831 119.914 0.029 0.000 2.638 253 V HA 0.631 4.751 4.120 -0.000 0.000 0.306 253 V C -0.443 175.658 176.094 0.013 0.000 1.052 253 V CA -1.051 61.260 62.300 0.019 0.000 0.885 253 V CB 2.089 33.924 31.823 0.021 0.000 0.999 253 V HN 0.428 nan 8.190 nan 0.000 0.424 254 R N 3.129 123.635 120.500 0.009 0.000 2.451 254 R HA 0.427 4.767 4.340 -0.000 0.000 0.307 254 R C -0.674 175.647 176.300 0.035 0.000 0.965 254 R CA -0.533 55.578 56.100 0.018 0.000 0.865 254 R CB 1.253 31.561 30.300 0.015 0.000 1.174 254 R HN 0.912 nan 8.270 nan 0.000 0.455 255 N N 3.105 121.827 118.700 0.036 0.000 2.421 255 N HA -0.005 4.734 4.740 -0.000 0.000 0.260 255 N C -0.465 175.081 175.510 0.060 0.000 1.173 255 N CA 0.125 53.202 53.050 0.045 0.000 0.960 255 N CB 0.852 39.358 38.487 0.031 0.000 1.273 255 N HN 0.520 nan 8.380 nan 0.000 0.497 256 D N 0.097 120.552 120.400 0.091 0.000 2.340 256 D HA -0.039 4.601 4.640 -0.000 0.000 0.220 256 D C 0.708 177.055 176.300 0.079 0.000 1.039 256 D CA 0.245 54.312 54.000 0.113 0.000 0.866 256 D CB 0.127 41.056 40.800 0.215 0.000 0.913 256 D HN 0.608 nan 8.370 nan 0.000 0.523 257 S N -0.312 115.426 115.700 0.064 0.000 2.640 257 S HA 0.419 4.889 4.470 -0.000 0.000 0.262 257 S C 1.239 175.858 174.600 0.033 0.000 1.232 257 S CA -0.081 58.146 58.200 0.045 0.000 0.988 257 S CB 1.719 64.945 63.200 0.042 0.000 1.034 257 S HN -0.012 nan 8.310 nan 0.000 0.569 258 A N 0.408 123.244 122.820 0.026 0.000 2.275 258 A HA 0.349 4.669 4.320 -0.000 0.000 0.212 258 A C 0.261 177.855 177.584 0.018 0.000 1.201 258 A CA -0.281 51.768 52.037 0.020 0.000 0.843 258 A CB -0.908 18.101 19.000 0.016 0.000 0.873 258 A HN 0.810 nan 8.150 nan 0.000 0.492 259 N N -0.837 117.875 118.700 0.020 0.000 2.258 259 N HA 0.556 5.296 4.740 -0.000 0.000 0.299 259 N C -0.370 175.150 175.510 0.017 0.000 1.047 259 N CA -0.136 52.924 53.050 0.017 0.000 0.814 259 N CB 1.697 40.194 38.487 0.016 0.000 1.413 259 N HN 0.245 nan 8.380 nan 0.000 0.478 260 A N 0.986 123.814 122.820 0.013 0.000 2.587 260 A HA 0.321 4.641 4.320 -0.000 0.000 0.233 260 A C 0.292 177.884 177.584 0.013 0.000 1.049 260 A CA 0.215 52.259 52.037 0.012 0.000 0.754 260 A CB -0.323 18.682 19.000 0.008 0.000 0.977 260 A HN 0.582 nan 8.150 nan 0.000 0.509 261 V N -0.209 119.713 119.914 0.013 0.000 3.181 261 V HA 0.700 4.820 4.120 -0.000 0.000 0.308 261 V C -0.583 175.517 176.094 0.009 0.000 1.214 261 V CA -0.927 61.381 62.300 0.013 0.000 1.053 261 V CB 1.741 33.575 31.823 0.019 0.000 1.069 261 V HN 0.923 nan 8.190 nan 0.000 0.441 262 Q N 0.568 120.373 119.800 0.008 0.000 2.316 262 Q HA 0.604 4.944 4.340 -0.000 0.000 0.264 262 Q C -1.069 174.936 176.000 0.008 0.000 0.987 262 Q CA -0.297 55.508 55.803 0.004 0.000 0.852 262 Q CB 2.034 30.774 28.738 0.003 0.000 1.287 262 Q HN 1.016 nan 8.270 nan 0.000 0.448 263 T N 1.433 115.990 114.554 0.005 0.000 2.885 263 T HA 0.474 4.824 4.350 -0.000 0.000 0.285 263 T C -0.961 173.744 174.700 0.009 0.000 1.019 263 T CA -0.254 61.853 62.100 0.012 0.000 1.010 263 T CB 1.319 70.196 68.868 0.016 0.000 1.022 263 T HN 0.450 nan 8.240 nan 0.000 0.466 264 T N 3.690 118.257 114.554 0.021 0.000 2.788 264 T HA 0.436 4.786 4.350 -0.000 0.000 0.296 264 T C -0.341 174.393 174.700 0.057 0.000 1.009 264 T CA -0.435 61.682 62.100 0.029 0.000 0.949 264 T CB 0.672 69.558 68.868 0.030 0.000 0.946 264 T HN 0.450 nan 8.240 nan 0.000 0.453 265 V N 3.362 123.323 119.914 0.078 0.000 2.353 265 V HA 0.740 4.860 4.120 -0.000 0.000 0.264 265 V C 0.331 176.573 176.094 0.247 0.000 1.049 265 V CA -0.572 61.824 62.300 0.160 0.000 0.896 265 V CB 0.120 32.069 31.823 0.210 0.000 1.025 265 V HN 1.033 nan 8.190 nan 0.000 0.475 266 A N 3.676 126.592 122.820 0.159 0.000 2.515 266 A HA 1.049 5.369 4.320 -0.000 0.000 0.298 266 A C 0.178 177.794 177.584 0.053 0.000 1.059 266 A CA 0.102 52.216 52.037 0.128 0.000 0.698 266 A CB 2.188 21.244 19.000 0.094 0.000 1.289 266 A HN 1.323 nan 8.150 nan 0.000 0.404 267 G N -0.389 108.418 108.800 0.012 0.000 2.600 267 G HA2 0.612 4.572 3.960 -0.000 0.000 0.103 267 G HA3 0.612 4.572 3.960 -0.000 0.000 0.103 267 G C -0.375 174.503 174.900 -0.038 0.000 1.090 267 G CA 0.763 45.857 45.100 -0.010 0.000 1.090 267 G HN 2.000 nan 8.290 nan 0.000 0.500 268 T N -2.529 111.998 114.554 -0.045 0.000 2.909 268 T HA 0.723 5.073 4.350 -0.000 0.000 0.299 268 T C -1.465 173.209 174.700 -0.043 0.000 1.073 268 T CA -0.495 61.583 62.100 -0.037 0.000 0.999 268 T CB 2.041 70.915 68.868 0.009 0.000 1.098 268 T HN 1.706 nan 8.240 nan 0.000 0.477 269 V N 2.242 122.130 119.914 -0.042 0.000 2.525 269 V HA 0.635 4.754 4.120 -0.000 0.000 0.299 269 V C 0.537 176.667 176.094 0.061 0.000 1.034 269 V CA 0.287 62.594 62.300 0.012 0.000 0.863 269 V CB 0.468 32.203 31.823 -0.145 0.000 0.999 269 V HN 2.178 nan 8.190 nan 0.000 0.423 270 A N 4.788 127.709 122.820 0.168 0.000 2.783 270 A HA 0.008 4.328 4.320 -0.000 0.000 0.292 270 A C 1.883 179.532 177.584 0.109 0.000 1.495 270 A CA 1.650 53.742 52.037 0.092 0.000 0.787 270 A CB -1.803 16.990 19.000 -0.346 0.000 1.017 270 A HN 2.888 nan 8.150 nan 0.000 0.516 271 G N -2.197 106.667 108.800 0.107 0.000 2.184 271 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.264 271 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.264 271 G C 0.078 175.002 174.900 0.040 0.000 0.975 271 G CA 1.248 46.394 45.100 0.077 0.000 0.642 271 G HN 1.205 nan 8.290 nan 0.000 0.536 272 K N 1.696 122.106 120.400 0.017 0.000 2.213 272 K HA 0.505 4.825 4.320 -0.000 0.000 0.270 272 K C -2.240 174.352 176.600 -0.013 0.000 1.002 272 K CA -2.106 54.180 56.287 -0.001 0.000 0.868 272 K CB 2.008 34.496 32.500 -0.019 0.000 1.093 272 K HN 0.049 nan 8.250 nan 0.000 0.454 273 P HA 0.141 nan 4.420 nan 0.000 0.276 273 P C -0.782 176.523 177.300 0.008 0.000 1.230 273 P CA -0.169 62.933 63.100 0.004 0.000 0.776 273 P CB 0.464 32.176 31.700 0.020 0.000 0.888 274 I N -1.486 119.087 120.570 0.006 0.000 2.828 274 I HA 0.802 4.972 4.170 -0.000 0.000 0.302 274 I C -0.732 175.505 176.117 0.201 0.000 1.101 274 I CA -1.030 60.314 61.300 0.075 0.000 1.031 274 I CB 2.532 40.457 38.000 -0.126 0.000 1.231 274 I HN 0.205 nan 8.210 nan 0.000 0.427 275 S N 2.396 118.306 115.700 0.350 0.000 2.584 275 S HA 0.415 4.885 4.470 -0.000 0.000 0.280 275 S C -1.623 173.049 174.600 0.119 0.000 1.162 275 S CA -0.527 57.832 58.200 0.265 0.000 0.951 275 S CB 1.415 64.689 63.200 0.122 0.000 1.108 275 S HN 0.670 nan 8.310 nan 0.000 0.464 276 Q N 2.354 122.145 119.800 -0.016 0.000 2.323 276 Q HA 0.456 4.796 4.340 -0.000 0.000 0.271 276 Q C -1.105 174.825 176.000 -0.116 0.000 1.048 276 Q CA -0.553 55.118 55.803 -0.220 0.000 0.792 276 Q CB 2.263 30.619 28.738 -0.636 0.000 1.280 276 Q HN 0.665 nan 8.270 nan 0.000 0.441 277 T N 1.714 116.215 114.554 -0.087 0.000 2.794 277 T HA 0.624 4.974 4.350 -0.000 0.000 0.280 277 T C 0.090 174.751 174.700 -0.066 0.000 0.987 277 T CA -0.530 61.538 62.100 -0.052 0.000 0.993 277 T CB 1.072 69.924 68.868 -0.027 0.000 0.939 277 T HN 0.445 nan 8.240 nan 0.000 0.449 278 V N 0.417 120.301 119.914 -0.051 0.000 3.102 278 V HA 0.871 4.991 4.120 -0.000 0.000 0.312 278 V C -0.408 175.671 176.094 -0.025 0.000 1.135 278 V CA -0.954 61.318 62.300 -0.046 0.000 1.022 278 V CB 2.243 34.031 31.823 -0.057 0.000 1.056 278 V HN 0.750 nan 8.190 nan 0.000 0.436 279 S N 2.597 118.284 115.700 -0.022 0.000 2.525 279 S HA 0.829 5.299 4.470 -0.000 0.000 0.290 279 S C -0.573 174.021 174.600 -0.008 0.000 1.152 279 S CA -0.562 57.631 58.200 -0.012 0.000 1.072 279 S CB 0.990 64.184 63.200 -0.011 0.000 1.027 279 S HN 0.693 nan 8.310 nan 0.000 0.500 280 L N 2.375 123.597 121.223 -0.001 0.000 2.406 280 L HA 0.562 4.902 4.340 -0.000 0.000 0.270 280 L C 0.396 177.270 176.870 0.006 0.000 0.982 280 L CA -0.832 54.010 54.840 0.003 0.000 0.843 280 L CB 1.407 43.470 42.059 0.008 0.000 1.225 280 L HN 0.760 nan 8.230 nan 0.000 0.412 281 A N 2.475 125.298 122.820 0.004 0.000 2.455 281 A HA 0.552 4.872 4.320 -0.000 0.000 0.244 281 A C 0.766 178.356 177.584 0.011 0.000 1.099 281 A CA 0.280 52.320 52.037 0.006 0.000 0.786 281 A CB 0.265 19.267 19.000 0.003 0.000 1.051 281 A HN 0.842 nan 8.150 nan 0.000 0.508 282 A N 0.701 123.528 122.820 0.012 0.000 2.548 282 A HA 0.441 4.761 4.320 -0.000 0.000 0.247 282 A C 0.916 178.510 177.584 0.017 0.000 1.067 282 A CA 0.538 52.585 52.037 0.016 0.000 0.757 282 A CB -0.206 18.802 19.000 0.014 0.000 0.996 282 A HN 1.184 nan 8.150 nan 0.000 0.504 283 K N 0.024 120.439 120.400 0.025 0.000 3.446 283 K HA -0.159 4.161 4.320 -0.000 0.000 0.312 283 K C -0.024 176.589 176.600 0.022 0.000 1.329 283 K CA 1.627 57.930 56.287 0.027 0.000 0.935 283 K CB -1.901 30.612 32.500 0.021 0.000 1.281 283 K HN 0.947 nan 8.250 nan 0.000 0.457 284 E N 0.928 121.139 120.200 0.018 0.000 2.301 284 E HA 0.301 4.651 4.350 -0.000 0.000 0.275 284 E C -0.361 176.246 176.600 0.013 0.000 1.030 284 E CA -0.438 55.969 56.400 0.011 0.000 0.852 284 E CB 0.882 30.586 29.700 0.006 0.000 1.060 284 E HN 0.142 nan 8.360 nan 0.000 0.401 285 R N 3.334 123.838 120.500 0.008 0.000 2.494 285 R HA 0.339 4.679 4.340 -0.000 0.000 0.305 285 R C -0.987 175.315 176.300 0.003 0.000 0.959 285 R CA -0.567 55.537 56.100 0.007 0.000 0.864 285 R CB 1.041 31.345 30.300 0.006 0.000 1.159 285 R HN 0.400 nan 8.270 nan 0.000 0.446 286 K N 1.409 121.812 120.400 0.005 0.000 2.318 286 K HA 0.317 4.636 4.320 -0.000 0.000 0.249 286 K C -1.011 175.596 176.600 0.012 0.000 0.942 286 K CA -0.765 55.523 56.287 0.001 0.000 0.808 286 K CB 2.484 34.978 32.500 -0.011 0.000 1.189 286 K HN 0.415 nan 8.250 nan 0.000 0.428 287 T N 1.845 116.407 114.554 0.014 0.000 2.729 287 T HA 0.179 4.529 4.350 -0.000 0.000 0.296 287 T C -0.305 174.395 174.700 -0.001 0.000 0.928 287 T CA -0.481 61.637 62.100 0.030 0.000 1.045 287 T CB 0.484 69.383 68.868 0.052 0.000 0.902 287 T HN 0.133 nan 8.240 nan 0.000 0.500 288 V N 5.229 125.141 119.914 -0.004 0.000 2.406 288 V HA 0.275 4.395 4.120 -0.000 0.000 0.272 288 V C 0.643 176.700 176.094 -0.061 0.000 1.043 288 V CA -0.537 61.716 62.300 -0.079 0.000 0.915 288 V CB 1.111 32.860 31.823 -0.123 0.000 0.988 288 V HN 0.904 nan 8.190 nan 0.000 0.466 289 T N 6.283 120.772 114.554 -0.107 0.000 2.749 289 T HA 0.547 4.897 4.350 -0.000 0.000 0.287 289 T C -0.308 174.310 174.700 -0.136 0.000 0.970 289 T CA -0.077 61.990 62.100 -0.055 0.000 0.980 289 T CB 0.371 69.215 68.868 -0.040 0.000 0.924 289 T HN 0.276 nan 8.240 nan 0.000 0.456 290 F N 3.538 123.438 119.950 -0.084 0.000 2.389 290 F HA 0.361 4.888 4.527 -0.000 0.000 0.337 290 F C -1.587 174.175 175.800 -0.065 0.000 1.112 290 F CA -2.300 55.657 58.000 -0.071 0.000 1.192 290 F CB 0.266 39.216 39.000 -0.084 0.000 1.185 290 F HN 0.349 nan 8.300 nan 0.000 0.552 291 P HA -0.028 nan 4.420 nan 0.000 0.266 291 P C -0.459 176.878 177.300 0.061 0.000 1.195 291 P CA -0.262 62.871 63.100 0.055 0.000 0.768 291 P CB 0.412 32.139 31.700 0.045 0.000 0.838 292 L N 4.043 125.281 121.223 0.025 0.000 2.554 292 L HA -0.030 4.310 4.340 -0.000 0.000 0.293 292 L C -0.440 176.431 176.870 0.003 0.000 1.252 292 L CA 0.932 55.775 54.840 0.004 0.000 0.862 292 L CB 0.265 42.327 42.059 0.006 0.000 1.113 292 L HN 0.099 nan 8.230 nan 0.000 0.510 293 V N 4.636 124.532 119.914 -0.031 0.000 2.444 293 V HA 0.601 4.721 4.120 -0.000 0.000 0.294 293 V C 0.523 176.585 176.094 -0.054 0.000 1.022 293 V CA -0.275 62.003 62.300 -0.037 0.000 0.850 293 V CB 1.309 33.090 31.823 -0.070 0.000 0.992 293 V HN 0.950 nan 8.190 nan 0.000 0.426 294 G N 3.649 112.444 108.800 -0.008 0.000 2.377 294 G HA2 0.608 4.568 3.960 -0.000 0.000 0.299 294 G HA3 0.608 4.568 3.960 -0.000 0.000 0.299 294 G C -1.348 173.519 174.900 -0.055 0.000 1.150 294 G CA -0.342 44.757 45.100 -0.000 0.000 0.847 294 G HN 0.511 nan 8.290 nan 0.000 0.501 295 L N 1.802 122.904 121.223 -0.201 0.000 2.441 295 L HA 0.440 4.780 4.340 -0.000 0.000 0.270 295 L C -1.274 175.546 176.870 -0.084 0.000 0.973 295 L CA -0.805 53.951 54.840 -0.139 0.000 0.842 295 L CB 2.026 43.962 42.059 -0.204 0.000 1.239 295 L HN 0.364 nan 8.230 nan 0.000 0.406 296 D N 5.112 125.547 120.400 0.058 0.000 2.225 296 D HA 0.375 5.015 4.640 -0.000 0.000 0.248 296 D C 0.044 176.396 176.300 0.088 0.000 1.096 296 D CA -0.149 53.931 54.000 0.132 0.000 0.863 296 D CB 1.246 42.123 40.800 0.129 0.000 1.156 296 D HN 0.408 nan 8.370 nan 0.000 0.450 297 R N 0.753 121.312 120.500 0.100 0.000 3.188 297 R HA -0.124 4.216 4.340 -0.000 0.000 0.247 297 R C -2.126 174.231 176.300 0.095 0.000 0.918 297 R CA -0.106 56.048 56.100 0.090 0.000 0.629 297 R CB -1.583 28.763 30.300 0.076 0.000 1.087 297 R HN 0.379 nan 8.270 nan 0.000 0.462 298 P HA -0.067 nan 4.420 nan 0.000 0.267 298 P C -0.341 177.067 177.300 0.180 0.000 1.200 298 P CA 0.137 63.340 63.100 0.171 0.000 0.772 298 P CB 0.420 32.204 31.700 0.141 0.000 0.855 299 N N 0.927 119.733 118.700 0.176 0.000 2.434 299 N HA 0.099 4.839 4.740 -0.000 0.000 0.273 299 N C -0.210 175.391 175.510 0.150 0.000 1.210 299 N CA -0.292 52.772 53.050 0.023 0.000 0.992 299 N CB 0.152 38.407 38.487 -0.385 0.000 1.355 299 N HN 0.196 nan 8.380 nan 0.000 0.495 300 V N 2.683 122.708 119.914 0.184 0.000 2.585 300 V HA -0.051 4.068 4.120 -0.000 0.000 0.296 300 V C 0.333 176.505 176.094 0.130 0.000 1.035 300 V CA -0.352 62.017 62.300 0.115 0.000 1.084 300 V CB 0.301 32.108 31.823 -0.027 0.000 0.953 300 V HN 0.565 nan 8.190 nan 0.000 0.483 301 W N 5.790 127.037 121.300 -0.088 0.000 2.238 301 W HA 0.484 5.143 4.660 -0.000 0.000 0.321 301 W C -0.817 175.588 176.519 -0.190 0.000 1.293 301 W CA -0.398 56.925 57.345 -0.036 0.000 1.204 301 W CB 0.638 30.086 29.460 -0.020 0.000 1.167 301 W HN 0.533 nan 8.180 nan 0.000 0.553 302 W N 6.689 127.659 121.300 -0.551 0.000 3.033 302 W HA 0.382 5.042 4.660 -0.000 0.000 0.336 302 W C -1.941 173.947 176.519 -1.051 0.000 1.173 302 W CA -2.179 54.873 57.345 -0.488 0.000 1.185 302 W CB 0.762 30.061 29.460 -0.268 0.000 1.425 302 W HN 0.152 nan 8.180 nan 0.000 0.536 303 P HA 0.165 nan 4.420 nan 0.000 0.272 303 P C -0.394 176.805 177.300 -0.170 0.000 1.230 303 P CA -0.212 62.776 63.100 -0.187 0.000 0.788 303 P CB 0.349 32.099 31.700 0.084 0.000 0.949 304 A N 1.638 124.375 122.820 -0.138 0.000 2.565 304 A HA 0.378 4.698 4.320 -0.000 0.000 0.237 304 A C 1.597 179.127 177.584 -0.089 0.000 1.053 304 A CA 0.935 52.904 52.037 -0.114 0.000 0.755 304 A CB -1.617 17.339 19.000 -0.073 0.000 0.980 304 A HN 0.884 nan 8.150 nan 0.000 0.506 305 G N 1.136 109.874 108.800 -0.103 0.000 2.234 305 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.260 305 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.260 305 G C 0.732 175.549 174.900 -0.137 0.000 0.987 305 G CA 0.945 45.985 45.100 -0.100 0.000 0.625 305 G HN 0.727 nan 8.290 nan 0.000 0.532 306 M N 0.337 119.842 119.600 -0.160 0.000 2.371 306 M HA 0.464 4.943 4.480 -0.000 0.000 0.246 306 M C 1.232 177.187 176.300 -0.575 0.000 1.103 306 M CA 1.132 56.268 55.300 -0.273 0.000 1.010 306 M CB 0.952 33.498 32.600 -0.089 0.000 1.457 306 M HN 0.954 nan 8.290 nan 0.000 0.486 307 G N -0.520 108.043 108.800 -0.394 0.000 2.356 307 G HA2 0.301 4.260 3.960 -0.000 0.000 0.266 307 G HA3 0.301 4.260 3.960 -0.000 0.000 0.266 307 G C -1.085 173.709 174.900 -0.176 0.000 1.312 307 G CA -0.579 44.260 45.100 -0.435 0.000 0.922 307 G HN 0.237 nan 8.290 nan 0.000 0.480 308 G N -1.471 107.304 108.800 -0.042 0.000 2.522 308 G HA2 0.522 4.482 3.960 -0.000 0.000 0.304 308 G HA3 0.522 4.482 3.960 -0.000 0.000 0.304 308 G C -0.311 174.498 174.900 -0.152 0.000 1.210 308 G CA -0.152 44.919 45.100 -0.048 0.000 0.960 308 G HN 0.499 nan 8.290 nan 0.000 0.497 309 Q N -0.707 118.979 119.800 -0.190 0.000 2.233 309 Q HA 0.190 4.530 4.340 -0.000 0.000 0.340 309 Q C -0.304 175.745 176.000 0.082 0.000 0.899 309 Q CA -0.432 55.149 55.803 -0.370 0.000 1.139 309 Q CB 0.392 28.975 28.738 -0.259 0.000 1.273 309 Q HN 0.740 nan 8.270 nan 0.000 0.431 310 H N 0.256 119.345 119.070 0.031 0.000 2.732 310 H HA 0.363 4.919 4.556 -0.000 0.000 0.351 310 H C -0.465 174.882 175.328 0.031 0.000 1.090 310 H CA 0.338 56.371 56.048 -0.026 0.000 1.431 310 H CB 0.565 30.221 29.762 -0.176 0.000 1.447 310 H HN 0.046 nan 8.280 nan 0.000 0.582 311 R N 3.754 123.796 120.500 -0.765 0.000 2.621 311 R HA 0.271 4.611 4.340 -0.000 0.000 0.292 311 R C -1.143 174.585 176.300 -0.953 0.000 0.969 311 R CA -0.716 55.009 56.100 -0.624 0.000 0.887 311 R CB 1.320 31.433 30.300 -0.311 0.000 1.180 311 R HN 0.546 nan 8.270 nan 0.000 0.450 312 Y N 0.281 120.149 120.300 -0.719 0.000 2.392 312 Y HA 0.234 4.784 4.550 -0.000 0.000 0.323 312 Y C 0.478 176.085 175.900 -0.489 0.000 1.291 312 Y CA -0.130 57.628 58.100 -0.570 0.000 1.345 312 Y CB 1.021 39.016 38.460 -0.775 0.000 1.320 312 Y HN 0.362 nan 8.280 nan 0.000 0.518 313 D N 1.327 121.742 120.400 0.025 0.000 2.192 313 D HA 0.287 4.927 4.640 -0.000 0.000 0.246 313 D C -1.332 175.116 176.300 0.248 0.000 1.042 313 D CA -0.471 53.586 54.000 0.094 0.000 0.847 313 D CB 2.375 43.214 40.800 0.064 0.000 1.186 313 D HN 0.213 nan 8.370 nan 0.000 0.461 314 L N 2.364 123.729 121.223 0.237 0.000 2.287 314 L HA 0.392 4.732 4.340 -0.000 0.000 0.287 314 L C -1.035 175.866 176.870 0.051 0.000 1.022 314 L CA -0.234 54.685 54.840 0.131 0.000 0.814 314 L CB 1.233 43.339 42.059 0.078 0.000 1.217 314 L HN 0.145 nan 8.230 nan 0.000 0.420 315 D N 5.251 125.659 120.400 0.013 0.000 2.575 315 D HA 0.483 5.123 4.640 -0.000 0.000 0.250 315 D C -1.559 174.733 176.300 -0.015 0.000 1.279 315 D CA -0.076 53.931 54.000 0.010 0.000 0.925 315 D CB 0.912 41.727 40.800 0.025 0.000 1.261 315 D HN 0.531 nan 8.370 nan 0.000 0.567 316 L N 2.136 123.355 121.223 -0.006 0.000 2.388 316 L HA 0.655 4.995 4.340 -0.000 0.000 0.264 316 L C -0.359 176.526 176.870 0.025 0.000 0.998 316 L CA -0.704 54.134 54.840 -0.003 0.000 0.817 316 L CB 2.661 44.711 42.059 -0.014 0.000 1.338 316 L HN 0.270 nan 8.230 nan 0.000 0.414 317 T N 1.362 115.940 114.554 0.039 0.000 2.921 317 T HA 0.577 4.926 4.350 -0.000 0.000 0.297 317 T C -0.612 174.122 174.700 0.056 0.000 1.013 317 T CA -0.470 61.656 62.100 0.044 0.000 0.990 317 T CB 1.852 70.744 68.868 0.040 0.000 1.023 317 T HN 0.609 nan 8.240 nan 0.000 0.447 318 A N 2.771 125.621 122.820 0.050 0.000 2.276 318 A HA 0.748 5.068 4.320 -0.000 0.000 0.300 318 A C 0.195 177.805 177.584 0.043 0.000 1.235 318 A CA -0.408 51.659 52.037 0.050 0.000 0.867 318 A CB 0.391 19.416 19.000 0.043 0.000 1.137 318 A HN 0.685 nan 8.150 nan 0.000 0.527 319 S N 0.469 116.193 115.700 0.041 0.000 2.568 319 S HA 0.745 5.215 4.470 -0.000 0.000 0.302 319 S C -0.591 174.028 174.600 0.032 0.000 1.082 319 S CA -0.501 57.721 58.200 0.037 0.000 1.009 319 S CB 1.726 64.947 63.200 0.036 0.000 1.069 319 S HN 0.713 nan 8.310 nan 0.000 0.500 320 V N 0.700 120.633 119.914 0.031 0.000 2.733 320 V HA 0.679 4.799 4.120 -0.000 0.000 0.306 320 V C 0.744 176.854 176.094 0.026 0.000 1.084 320 V CA -0.377 61.940 62.300 0.027 0.000 0.905 320 V CB 1.078 32.919 31.823 0.029 0.000 1.010 320 V HN 1.221 nan 8.190 nan 0.000 0.424 321 G N 2.594 111.408 108.800 0.022 0.000 2.258 321 G HA2 0.053 4.013 3.960 -0.000 0.000 0.274 321 G HA3 0.053 4.013 3.960 -0.000 0.000 0.274 321 G C 1.227 176.140 174.900 0.021 0.000 1.021 321 G CA 0.915 46.028 45.100 0.021 0.000 0.798 321 G HN 2.585 nan 8.290 nan 0.000 0.507 322 G N -2.005 106.809 108.800 0.023 0.000 2.153 322 G HA2 0.124 4.084 3.960 -0.000 0.000 0.252 322 G HA3 0.124 4.084 3.960 -0.000 0.000 0.252 322 G C 0.688 175.603 174.900 0.025 0.000 0.994 322 G CA 1.652 46.766 45.100 0.023 0.000 0.698 322 G HN 2.692 nan 8.290 nan 0.000 0.521 323 T N -1.913 112.657 114.554 0.027 0.000 2.887 323 T HA 0.728 5.078 4.350 -0.000 0.000 0.288 323 T C -3.014 171.706 174.700 0.033 0.000 1.021 323 T CA -1.957 60.161 62.100 0.030 0.000 1.000 323 T CB 3.317 72.203 68.868 0.030 0.000 1.034 323 T HN -0.019 nan 8.240 nan 0.000 0.467 324 P HA 0.246 nan 4.420 nan 0.000 0.271 324 P C 0.349 177.674 177.300 0.041 0.000 1.216 324 P CA -0.239 62.884 63.100 0.038 0.000 0.771 324 P CB 1.123 32.846 31.700 0.038 0.000 0.864 325 S N 1.431 117.157 115.700 0.043 0.000 2.452 325 S HA 0.076 4.546 4.470 -0.000 0.000 0.225 325 S C 0.304 174.934 174.600 0.050 0.000 1.057 325 S CA 0.655 58.884 58.200 0.049 0.000 0.949 325 S CB -0.065 63.163 63.200 0.048 0.000 0.836 325 S HN 0.543 nan 8.310 nan 0.000 0.518 326 D N -0.941 119.484 120.400 0.040 0.000 2.609 326 D HA 0.712 5.352 4.640 -0.000 0.000 0.239 326 D C -1.425 174.895 176.300 0.032 0.000 1.229 326 D CA -0.009 54.011 54.000 0.033 0.000 0.808 326 D CB 2.021 42.828 40.800 0.012 0.000 1.448 326 D HN 0.378 nan 8.370 nan 0.000 0.433 327 A N 0.246 123.085 122.820 0.031 0.000 2.587 327 A HA 0.924 5.244 4.320 -0.000 0.000 0.293 327 A C -1.706 175.896 177.584 0.030 0.000 1.087 327 A CA -0.075 51.981 52.037 0.032 0.000 0.692 327 A CB 1.746 20.767 19.000 0.035 0.000 1.291 327 A HN 0.973 nan 8.150 nan 0.000 0.407 328 A N 1.122 123.959 122.820 0.030 0.000 2.491 328 A HA 0.669 4.989 4.320 -0.000 0.000 0.293 328 A C -1.089 176.513 177.584 0.030 0.000 1.047 328 A CA -0.572 51.483 52.037 0.031 0.000 0.735 328 A CB 1.001 20.018 19.000 0.028 0.000 1.281 328 A HN 0.702 nan 8.150 nan 0.000 0.398 329 K N 1.266 121.687 120.400 0.035 0.000 2.182 329 K HA 0.790 5.109 4.320 -0.000 0.000 0.262 329 K C -0.104 176.521 176.600 0.041 0.000 0.957 329 K CA -0.368 55.942 56.287 0.038 0.000 0.842 329 K CB 1.986 34.509 32.500 0.039 0.000 1.099 329 K HN 0.909 nan 8.250 nan 0.000 0.438 330 S N 1.423 117.152 115.700 0.048 0.000 2.671 330 S HA 0.549 5.019 4.470 -0.000 0.000 0.277 330 S C -1.117 173.524 174.600 0.068 0.000 1.165 330 S CA -1.120 57.108 58.200 0.046 0.000 0.822 330 S CB 1.658 64.882 63.200 0.038 0.000 1.150 330 S HN 0.506 nan 8.310 nan 0.000 0.479 331 K N -0.132 120.288 120.400 0.033 0.000 2.352 331 K HA 0.842 5.162 4.320 -0.000 0.000 0.240 331 K C -1.409 175.253 176.600 0.104 0.000 1.017 331 K CA -0.794 55.506 56.287 0.021 0.000 0.851 331 K CB 1.599 34.047 32.500 -0.087 0.000 1.261 331 K HN 0.721 nan 8.250 nan 0.000 0.451 332 F N -2.556 117.339 119.950 -0.090 0.000 2.693 332 F HA 0.622 5.149 4.527 -0.000 0.000 0.309 332 F C -0.668 175.104 175.800 -0.046 0.000 1.129 332 F CA -1.155 56.779 58.000 -0.110 0.000 0.948 332 F CB 1.106 40.058 39.000 -0.081 0.000 1.315 332 F HN 0.493 nan 8.300 nan 0.000 0.447 333 G N 0.787 109.564 108.800 -0.039 0.000 2.420 333 G HA2 0.575 4.535 3.960 -0.000 0.000 0.331 333 G HA3 0.575 4.535 3.960 -0.000 0.000 0.331 333 G C -1.783 173.192 174.900 0.125 0.000 1.168 333 G CA -1.128 43.930 45.100 -0.070 0.000 0.936 333 G HN 0.686 nan 8.290 nan 0.000 0.479 334 V N 2.988 123.032 119.914 0.216 0.000 2.334 334 V HA 0.626 4.746 4.120 -0.000 0.000 0.267 334 V C 0.367 176.517 176.094 0.094 0.000 1.040 334 V CA -0.445 61.971 62.300 0.194 0.000 0.866 334 V CB 0.230 32.212 31.823 0.264 0.000 1.019 334 V HN 0.809 nan 8.190 nan 0.000 0.468 335 R N 3.485 123.994 120.500 0.015 0.000 2.633 335 R HA 0.328 4.668 4.340 -0.000 0.000 0.255 335 R C -2.260 174.003 176.300 -0.060 0.000 1.106 335 R CA -0.505 55.572 56.100 -0.039 0.000 0.959 335 R CB 2.423 32.747 30.300 0.040 0.000 1.259 335 R HN 0.718 nan 8.270 nan 0.000 0.453 336 D N 2.088 122.441 120.400 -0.079 0.000 2.248 336 D HA 0.509 5.149 4.640 -0.000 0.000 0.246 336 D C -1.469 174.817 176.300 -0.023 0.000 1.027 336 D CA -0.478 53.490 54.000 -0.054 0.000 0.853 336 D CB 2.157 42.929 40.800 -0.047 0.000 1.243 336 D HN 0.300 nan 8.370 nan 0.000 0.462 337 V N 2.863 122.768 119.914 -0.015 0.000 2.760 337 V HA 0.615 4.735 4.120 -0.000 0.000 0.309 337 V C -1.549 174.552 176.094 0.011 0.000 1.077 337 V CA -0.509 61.810 62.300 0.031 0.000 0.910 337 V CB 1.579 33.441 31.823 0.065 0.000 1.008 337 V HN 0.607 nan 8.190 nan 0.000 0.424 338 K N 4.459 124.877 120.400 0.030 0.000 2.375 338 K HA 0.897 5.217 4.320 -0.000 0.000 0.249 338 K C -1.040 175.501 176.600 -0.100 0.000 0.942 338 K CA -0.413 55.857 56.287 -0.028 0.000 0.806 338 K CB 2.366 34.856 32.500 -0.017 0.000 1.227 338 K HN 0.925 nan 8.250 nan 0.000 0.430 339 A N 1.747 124.423 122.820 -0.241 0.000 2.466 339 A HA 0.501 4.821 4.320 -0.000 0.000 0.291 339 A C -0.558 176.853 177.584 -0.288 0.000 1.234 339 A CA -0.587 51.157 52.037 -0.489 0.000 0.752 339 A CB 0.512 18.880 19.000 -1.053 0.000 1.153 339 A HN 0.684 nan 8.150 nan 0.000 0.458 340 T N -0.260 114.190 114.554 -0.175 0.000 2.910 340 T HA 0.769 5.119 4.350 -0.000 0.000 0.287 340 T C -0.262 174.402 174.700 -0.060 0.000 1.050 340 T CA -0.827 61.215 62.100 -0.098 0.000 1.011 340 T CB 0.914 69.753 68.868 -0.048 0.000 1.195 340 T HN 0.371 nan 8.240 nan 0.000 0.540 341 L N 2.780 123.984 121.223 -0.032 0.000 2.326 341 L HA 0.429 4.769 4.340 -0.000 0.000 0.278 341 L C 0.621 177.504 176.870 0.021 0.000 1.092 341 L CA -1.033 53.807 54.840 0.000 0.000 0.810 341 L CB 0.625 42.684 42.059 -0.001 0.000 1.153 341 L HN 0.796 nan 8.230 nan 0.000 0.439 342 N N 0.267 118.993 118.700 0.045 0.000 2.418 342 N HA 0.086 4.826 4.740 -0.000 0.000 0.283 342 N C 0.823 176.354 175.510 0.035 0.000 1.267 342 N CA -0.324 52.753 53.050 0.045 0.000 0.975 342 N CB 0.224 38.749 38.487 0.064 0.000 1.167 342 N HN 0.525 nan 8.380 nan 0.000 0.581 343 S N -1.828 113.888 115.700 0.028 0.000 2.474 343 S HA -0.082 4.388 4.470 -0.000 0.000 0.235 343 S C 0.987 175.600 174.600 0.021 0.000 0.997 343 S CA 0.650 58.861 58.200 0.018 0.000 0.949 343 S CB -0.633 62.573 63.200 0.010 0.000 0.766 343 S HN 0.528 nan 8.310 nan 0.000 0.517 344 S N 0.486 116.207 115.700 0.035 0.000 2.556 344 S HA 0.480 4.950 4.470 -0.000 0.000 0.216 344 S C 1.397 176.037 174.600 0.066 0.000 0.970 344 S CA 0.183 58.409 58.200 0.043 0.000 0.912 344 S CB 0.175 63.408 63.200 0.055 0.000 0.790 344 S HN 0.982 nan 8.310 nan 0.000 0.504 345 G N 1.493 110.331 108.800 0.063 0.000 2.143 345 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.248 345 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.248 345 G C 0.234 175.195 174.900 0.101 0.000 0.991 345 G CA -0.225 44.916 45.100 0.069 0.000 0.689 345 G HN 0.799 nan 8.290 nan 0.000 0.522 346 G N -0.393 108.484 108.800 0.128 0.000 2.353 346 G HA2 0.573 4.533 3.960 -0.000 0.000 0.284 346 G HA3 0.573 4.533 3.960 -0.000 0.000 0.284 346 G C 0.200 175.189 174.900 0.149 0.000 1.172 346 G CA -0.341 44.863 45.100 0.172 0.000 0.854 346 G HN 0.563 nan 8.290 nan 0.000 0.485 347 R N 1.008 121.594 120.500 0.143 0.000 2.458 347 R HA 0.206 4.546 4.340 -0.000 0.000 0.303 347 R C -0.114 176.301 176.300 0.190 0.000 1.013 347 R CA 0.071 56.202 56.100 0.052 0.000 1.026 347 R CB 0.472 30.698 30.300 -0.123 0.000 0.948 347 R HN 0.491 nan 8.270 nan 0.000 0.417 348 Q N 4.416 124.267 119.800 0.086 0.000 2.320 348 Q HA 0.248 4.588 4.340 -0.000 0.000 0.268 348 Q C -1.728 174.333 176.000 0.103 0.000 1.023 348 Q CA -0.457 55.464 55.803 0.197 0.000 0.744 348 Q CB 0.656 29.500 28.738 0.177 0.000 1.246 348 Q HN 0.631 nan 8.270 nan 0.000 0.462 349 Y N 1.317 121.726 120.300 0.183 0.000 2.304 349 Y HA 0.522 5.072 4.550 -0.000 0.000 0.327 349 Y C 0.587 176.573 175.900 0.144 0.000 1.209 349 Y CA 0.355 58.540 58.100 0.141 0.000 1.299 349 Y CB 1.574 40.133 38.460 0.165 0.000 1.249 349 Y HN 0.697 nan 8.280 nan 0.000 0.519 350 S N 0.933 116.789 115.700 0.261 0.000 2.549 350 S HA 0.834 5.304 4.470 -0.000 0.000 0.280 350 S C -1.642 173.071 174.600 0.188 0.000 1.109 350 S CA -0.882 57.446 58.200 0.213 0.000 0.905 350 S CB 1.529 64.822 63.200 0.155 0.000 1.081 350 S HN 0.330 nan 8.310 nan 0.000 0.477 351 V N 2.390 122.414 119.914 0.183 0.000 2.487 351 V HA 0.475 4.595 4.120 -0.000 0.000 0.298 351 V C 0.048 176.176 176.094 0.057 0.000 1.028 351 V CA -0.955 61.426 62.300 0.136 0.000 0.860 351 V CB 0.743 32.685 31.823 0.198 0.000 0.991 351 V HN 1.139 nan 8.190 nan 0.000 0.427 352 N N 3.689 122.350 118.700 -0.065 0.000 2.702 352 N HA -0.253 4.487 4.740 -0.000 0.000 0.255 352 N C 1.127 176.653 175.510 0.027 0.000 0.983 352 N CA 0.597 53.560 53.050 -0.145 0.000 0.768 352 N CB -0.737 37.398 38.487 -0.587 0.000 0.918 352 N HN 1.458 nan 8.380 nan 0.000 0.540 353 G N -1.301 107.543 108.800 0.073 0.000 2.179 353 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.260 353 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.260 353 G C -0.101 174.891 174.900 0.153 0.000 0.977 353 G CA 0.357 45.521 45.100 0.107 0.000 0.641 353 G HN 0.298 nan 8.290 nan 0.000 0.533 354 K N 1.722 122.244 120.400 0.203 0.000 2.264 354 K HA 0.410 4.730 4.320 -0.000 0.000 0.277 354 K C -2.313 174.414 176.600 0.213 0.000 1.067 354 K CA -2.069 54.353 56.287 0.225 0.000 0.900 354 K CB 1.949 34.631 32.500 0.304 0.000 1.124 354 K HN 0.225 nan 8.250 nan 0.000 0.469 355 P HA 0.170 nan 4.420 nan 0.000 0.269 355 P C -0.590 176.883 177.300 0.288 0.000 1.215 355 P CA -0.548 62.698 63.100 0.243 0.000 0.780 355 P CB 0.726 32.563 31.700 0.229 0.000 0.898 356 L N 2.291 123.686 121.223 0.285 0.000 2.445 356 L HA 0.375 4.715 4.340 -0.000 0.000 0.262 356 L C -0.612 176.245 176.870 -0.022 0.000 0.974 356 L CA -0.971 53.954 54.840 0.142 0.000 0.822 356 L CB 1.710 43.847 42.059 0.130 0.000 1.339 356 L HN 0.230 nan 8.230 nan 0.000 0.409 357 L N 4.613 125.502 121.223 -0.557 0.000 2.369 357 L HA 0.381 4.721 4.340 -0.000 0.000 0.279 357 L C -0.295 176.427 176.870 -0.248 0.000 1.108 357 L CA 0.201 54.672 54.840 -0.614 0.000 0.852 357 L CB 0.155 41.576 42.059 -1.063 0.000 1.169 357 L HN 0.303 nan 8.230 nan 0.000 0.452 358 I N 6.264 126.755 120.570 -0.132 0.000 2.581 358 I HA 0.093 4.263 4.170 -0.000 0.000 0.285 358 I C 0.460 176.471 176.117 -0.176 0.000 1.129 358 I CA 0.549 61.779 61.300 -0.117 0.000 1.397 358 I CB -0.314 37.667 38.000 -0.031 0.000 1.399 358 I HN 0.637 nan 8.210 nan 0.000 0.537 359 R N 4.429 124.875 120.500 -0.090 0.000 2.337 359 R HA 0.670 5.010 4.340 -0.000 0.000 0.319 359 R C 0.189 176.519 176.300 0.049 0.000 0.954 359 R CA -0.390 55.713 56.100 0.005 0.000 0.840 359 R CB 1.993 32.300 30.300 0.013 0.000 1.164 359 R HN 0.872 nan 8.270 nan 0.000 0.472 360 G N 0.452 109.319 108.800 0.111 0.000 2.731 360 G HA2 0.683 4.643 3.960 -0.000 0.000 0.309 360 G HA3 0.683 4.643 3.960 -0.000 0.000 0.309 360 G C -1.298 173.699 174.900 0.162 0.000 1.273 360 G CA -0.544 44.619 45.100 0.105 0.000 0.798 360 G HN 0.614 nan 8.290 nan 0.000 0.509 361 G N -1.806 107.074 108.800 0.134 0.000 2.690 361 G HA2 0.640 4.600 3.960 -0.000 0.000 0.293 361 G HA3 0.640 4.600 3.960 -0.000 0.000 0.293 361 G C -0.249 174.705 174.900 0.091 0.000 1.399 361 G CA 0.186 45.367 45.100 0.134 0.000 0.890 361 G HN 1.279 nan 8.290 nan 0.000 0.485 362 G N -0.439 108.356 108.800 -0.007 0.000 2.367 362 G HA2 0.422 4.382 3.960 -0.000 0.000 0.280 362 G HA3 0.422 4.382 3.960 -0.000 0.000 0.280 362 G C -0.536 174.199 174.900 -0.275 0.000 1.175 362 G CA -0.033 44.966 45.100 -0.169 0.000 1.001 362 G HN 0.649 nan 8.290 nan 0.000 0.437 363 Y N 2.629 122.823 120.300 -0.177 0.000 2.310 363 Y HA 0.593 5.143 4.550 -0.000 0.000 0.326 363 Y C 0.448 176.251 175.900 -0.162 0.000 1.151 363 Y CA -0.368 57.655 58.100 -0.127 0.000 1.195 363 Y CB 1.951 40.439 38.460 0.046 0.000 1.210 363 Y HN 0.514 nan 8.280 nan 0.000 0.483 364 T N 8.089 122.103 114.554 -0.901 0.000 2.900 364 T HA 0.574 4.924 4.350 -0.000 0.000 0.295 364 T C -2.902 171.326 174.700 -0.787 0.000 1.044 364 T CA -2.266 59.504 62.100 -0.550 0.000 0.995 364 T CB 1.624 70.369 68.868 -0.205 0.000 1.072 364 T HN 0.571 nan 8.240 nan 0.000 0.473 365 P HA 0.312 nan 4.420 nan 0.000 0.302 365 P C -0.728 176.623 177.300 0.085 0.000 1.307 365 P CA -0.354 62.751 63.100 0.008 0.000 0.754 365 P CB 0.398 32.252 31.700 0.257 0.000 1.298 366 D N -0.994 119.485 120.400 0.131 0.000 2.443 366 D HA -0.055 4.585 4.640 -0.000 0.000 0.239 366 D C 1.218 177.444 176.300 -0.124 0.000 1.136 366 D CA -0.213 53.816 54.000 0.049 0.000 0.879 366 D CB 0.162 41.054 40.800 0.155 0.000 1.195 366 D HN 0.054 nan 8.370 nan 0.000 0.443 367 L N 3.399 124.261 121.223 -0.601 0.000 2.261 367 L HA -0.035 4.305 4.340 -0.000 0.000 0.216 367 L C 0.646 176.956 176.870 -0.934 0.000 1.114 367 L CA 1.637 55.694 54.840 -1.305 0.000 0.777 367 L CB -0.325 40.764 42.059 -1.616 0.000 0.910 367 L HN 0.516 nan 8.230 nan 0.000 0.440 368 F N -1.507 118.494 119.950 0.085 0.000 2.698 368 F HA 0.370 4.897 4.527 -0.000 0.000 0.304 368 F C 0.880 176.794 175.800 0.190 0.000 1.108 368 F CA -0.796 57.291 58.000 0.146 0.000 1.263 368 F CB -0.423 38.630 39.000 0.088 0.000 1.013 368 F HN -0.224 nan 8.300 nan 0.000 0.532 369 L N 0.231 121.644 121.223 0.316 0.000 3.737 369 L HA -0.305 4.035 4.340 -0.000 0.000 0.418 369 L C 0.219 177.279 176.870 0.316 0.000 1.216 369 L CA 0.391 55.427 54.840 0.326 0.000 0.915 369 L CB -1.633 40.603 42.059 0.295 0.000 1.834 369 L HN 0.280 nan 8.230 nan 0.000 0.943 370 R N 0.753 121.433 120.500 0.301 0.000 2.316 370 R HA 0.145 4.485 4.340 -0.000 0.000 0.314 370 R C 0.065 176.552 176.300 0.310 0.000 1.069 370 R CA -0.191 56.074 56.100 0.275 0.000 0.959 370 R CB 0.729 31.157 30.300 0.214 0.000 0.987 370 R HN 0.296 nan 8.270 nan 0.000 0.446 371 W N 5.336 126.724 121.300 0.147 0.000 2.390 371 W HA 0.282 4.942 4.660 -0.000 0.000 0.312 371 W C -1.100 175.497 176.519 0.131 0.000 1.123 371 W CA -0.491 56.942 57.345 0.147 0.000 1.202 371 W CB 1.312 30.860 29.460 0.148 0.000 1.251 371 W HN 0.483 nan 8.180 nan 0.000 0.511 372 N N 4.427 122.583 118.700 -0.907 0.000 2.503 372 N HA -0.018 4.722 4.740 -0.000 0.000 0.287 372 N C 0.314 175.172 175.510 -1.087 0.000 1.096 372 N CA -0.087 52.496 53.050 -0.779 0.000 0.936 372 N CB 1.788 40.099 38.487 -0.294 0.000 1.570 372 N HN 0.697 nan 8.380 nan 0.000 0.504 373 E N 1.733 121.458 120.200 -0.792 0.000 2.038 373 E HA -0.160 4.190 4.350 -0.000 0.000 0.195 373 E C 0.837 177.291 176.600 -0.245 0.000 1.000 373 E CA 2.236 58.409 56.400 -0.378 0.000 0.803 373 E CB 0.233 29.971 29.700 0.063 0.000 0.750 373 E HN 0.680 nan 8.360 nan 0.000 0.448 374 T N 0.605 115.057 114.554 -0.170 0.000 2.665 374 T HA -0.236 4.114 4.350 -0.000 0.000 0.268 374 T C 1.859 176.465 174.700 -0.156 0.000 1.035 374 T CA 1.505 63.532 62.100 -0.122 0.000 1.151 374 T CB -0.454 68.363 68.868 -0.085 0.000 0.862 374 T HN 0.365 nan 8.240 nan 0.000 0.438 375 A N 1.414 124.114 122.820 -0.201 0.000 1.902 375 A HA 0.123 4.443 4.320 -0.000 0.000 0.217 375 A C 2.668 180.164 177.584 -0.146 0.000 1.181 375 A CA 1.924 53.859 52.037 -0.171 0.000 0.623 375 A CB -1.136 17.770 19.000 -0.157 0.000 0.818 375 A HN 0.529 nan 8.150 nan 0.000 0.443 376 A N -0.156 122.533 122.820 -0.219 0.000 1.902 376 A HA 0.142 4.462 4.320 -0.000 0.000 0.217 376 A C 2.516 180.070 177.584 -0.049 0.000 1.181 376 A CA 2.186 54.190 52.037 -0.055 0.000 0.623 376 A CB -1.025 17.912 19.000 -0.105 0.000 0.818 376 A HN 1.062 nan 8.150 nan 0.000 0.443 377 A N -0.006 122.754 122.820 -0.099 0.000 1.898 377 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 377 A C 1.777 179.292 177.584 -0.114 0.000 1.181 377 A CA 1.835 53.815 52.037 -0.095 0.000 0.620 377 A CB -0.592 18.367 19.000 -0.069 0.000 0.819 377 A HN 0.463 nan 8.150 nan 0.000 0.442 378 D N 0.051 120.358 120.400 -0.154 0.000 2.104 378 D HA -0.144 4.496 4.640 -0.000 0.000 0.194 378 D C 1.930 178.005 176.300 -0.375 0.000 0.994 378 D CA 1.542 55.388 54.000 -0.256 0.000 0.830 378 D CB -0.315 40.298 40.800 -0.312 0.000 0.959 378 D HN 0.505 nan 8.370 nan 0.000 0.452 379 K N 0.225 120.465 120.400 -0.267 0.000 2.057 379 K HA -0.067 4.253 4.320 -0.000 0.000 0.207 379 K C 2.378 178.992 176.600 0.022 0.000 1.049 379 K CA 0.627 56.820 56.287 -0.157 0.000 0.931 379 K CB -0.217 32.435 32.500 0.254 0.000 0.714 379 K HN 0.134 nan 8.250 nan 0.000 0.440 380 L N 1.184 122.399 121.223 -0.014 0.000 2.083 380 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 380 L C 2.229 179.093 176.870 -0.011 0.000 1.083 380 L CA 1.320 56.126 54.840 -0.057 0.000 0.752 380 L CB -0.287 41.631 42.059 -0.235 0.000 0.899 380 L HN 0.120 nan 8.230 nan 0.000 0.433 381 K N -1.080 119.311 120.400 -0.016 0.000 2.097 381 K HA -0.200 4.120 4.320 -0.000 0.000 0.206 381 K C 2.127 178.829 176.600 0.170 0.000 1.049 381 K CA 1.310 57.626 56.287 0.048 0.000 0.933 381 K CB -0.229 32.293 32.500 0.037 0.000 0.717 381 K HN 0.112 nan 8.250 nan 0.000 0.442 382 Y N 1.069 121.321 120.300 -0.080 0.000 2.128 382 Y HA -0.241 4.308 4.550 -0.000 0.000 0.284 382 Y C 2.342 178.271 175.900 0.048 0.000 1.154 382 Y CA 0.361 58.438 58.100 -0.038 0.000 1.149 382 Y CB -0.932 37.325 38.460 -0.338 0.000 0.976 382 Y HN -0.213 nan 8.280 nan 0.000 0.505 383 V N 0.272 120.319 119.914 0.222 0.000 2.250 383 V HA -0.372 3.748 4.120 -0.000 0.000 0.253 383 V C 2.505 178.611 176.094 0.020 0.000 1.065 383 V CA 2.141 64.511 62.300 0.117 0.000 1.039 383 V CB -1.023 30.863 31.823 0.105 0.000 0.647 383 V HN 0.361 nan 8.190 nan 0.000 0.446 384 L N -0.062 121.177 121.223 0.027 0.000 2.056 384 L HA -0.186 4.154 4.340 -0.000 0.000 0.207 384 L C 2.549 179.408 176.870 -0.019 0.000 1.078 384 L CA 2.004 56.840 54.840 -0.007 0.000 0.749 384 L CB -0.925 41.132 42.059 -0.003 0.000 0.901 384 L HN 0.506 nan 8.230 nan 0.000 0.433 385 N N 1.016 119.727 118.700 0.018 0.000 2.094 385 N HA -0.215 4.524 4.740 -0.000 0.000 0.191 385 N C 1.927 177.394 175.510 -0.072 0.000 1.023 385 N CA 1.375 54.432 53.050 0.011 0.000 0.857 385 N CB -0.010 38.506 38.487 0.048 0.000 1.013 385 N HN 0.303 nan 8.380 nan 0.000 0.426 386 L N -0.162 120.956 121.223 -0.174 0.000 2.275 386 L HA -0.004 4.335 4.340 -0.000 0.000 0.215 386 L C 1.631 178.318 176.870 -0.306 0.000 1.119 386 L CA 0.904 55.526 54.840 -0.365 0.000 0.790 386 L CB -0.381 41.398 42.059 -0.467 0.000 0.919 386 L HN 0.401 nan 8.230 nan 0.000 0.443 387 G N -0.175 108.506 108.800 -0.198 0.000 2.143 387 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.249 387 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.249 387 G C 0.292 175.073 174.900 -0.199 0.000 0.981 387 G CA -0.161 44.830 45.100 -0.181 0.000 0.665 387 G HN 0.197 nan 8.290 nan 0.000 0.528 388 L N 0.215 121.317 121.223 -0.202 0.000 2.473 388 L HA 0.286 4.626 4.340 -0.000 0.000 0.268 388 L C 1.604 178.429 176.870 -0.074 0.000 1.215 388 L CA 0.311 55.060 54.840 -0.152 0.000 0.823 388 L CB 0.417 42.407 42.059 -0.115 0.000 1.099 388 L HN 0.392 nan 8.230 nan 0.000 0.483 389 N N -1.698 116.975 118.700 -0.045 0.000 2.220 389 N HA 0.049 4.788 4.740 -0.000 0.000 0.195 389 N C -0.366 175.155 175.510 0.018 0.000 1.123 389 N CA -0.152 52.891 53.050 -0.012 0.000 0.874 389 N CB 0.761 39.242 38.487 -0.011 0.000 0.995 389 N HN 0.526 nan 8.380 nan 0.000 0.498 390 T N 0.007 114.573 114.554 0.021 0.000 2.982 390 T HA 0.530 4.880 4.350 -0.000 0.000 0.321 390 T C -1.085 173.655 174.700 0.067 0.000 1.229 390 T CA -0.841 61.283 62.100 0.040 0.000 1.044 390 T CB 2.268 71.146 68.868 0.017 0.000 1.184 390 T HN 0.094 nan 8.240 nan 0.000 0.477 391 V N 0.376 120.342 119.914 0.086 0.000 2.555 391 V HA 0.785 4.905 4.120 -0.000 0.000 0.302 391 V C -0.167 176.010 176.094 0.138 0.000 1.038 391 V CA -1.178 61.199 62.300 0.128 0.000 0.887 391 V CB 1.738 33.655 31.823 0.157 0.000 0.991 391 V HN 0.919 nan 8.190 nan 0.000 0.434 392 R N 3.211 123.804 120.500 0.154 0.000 2.368 392 R HA 0.718 5.058 4.340 -0.000 0.000 0.302 392 R C -1.638 174.768 176.300 0.177 0.000 1.002 392 R CA -0.771 55.416 56.100 0.145 0.000 0.929 392 R CB 1.437 31.823 30.300 0.145 0.000 1.073 392 R HN 0.793 nan 8.270 nan 0.000 0.464 393 L N 3.781 125.090 121.223 0.143 0.000 2.301 393 L HA 0.306 4.646 4.340 -0.000 0.000 0.278 393 L C -0.088 176.854 176.870 0.121 0.000 1.022 393 L CA 0.018 54.964 54.840 0.176 0.000 0.854 393 L CB 1.566 43.716 42.059 0.151 0.000 1.226 393 L HN 0.616 nan 8.230 nan 0.000 0.429 394 E N 3.453 123.822 120.200 0.282 0.000 1.941 394 E HA 0.436 4.786 4.350 -0.000 0.000 0.275 394 E C 0.838 177.636 176.600 0.331 0.000 1.113 394 E CA 0.306 56.877 56.400 0.285 0.000 0.878 394 E CB 0.377 30.404 29.700 0.545 0.000 1.070 394 E HN 0.755 nan 8.360 nan 0.000 0.399 395 G N 4.229 113.071 108.800 0.069 0.000 2.598 395 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.269 395 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.269 395 G C -0.077 174.940 174.900 0.196 0.000 1.289 395 G CA 0.286 45.391 45.100 0.008 0.000 0.926 395 G HN 1.021 nan 8.290 nan 0.000 0.567 396 H N -2.071 117.042 119.070 0.071 0.000 2.690 396 H HA -0.160 4.396 4.556 -0.000 0.000 0.309 396 H C 1.044 176.465 175.328 0.155 0.000 1.138 396 H CA 0.841 56.922 56.048 0.055 0.000 1.142 396 H CB -2.034 27.698 29.762 -0.050 0.000 1.410 396 H HN 0.734 nan 8.280 nan 0.000 0.409 397 I N 0.883 121.643 120.570 0.317 0.000 2.587 397 I HA -0.005 4.165 4.170 -0.000 0.000 0.284 397 I C 1.184 177.462 176.117 0.269 0.000 1.134 397 I CA 0.164 61.613 61.300 0.249 0.000 1.410 397 I CB 0.387 38.463 38.000 0.127 0.000 1.392 397 I HN 0.222 nan 8.210 nan 0.000 0.545 398 E N 7.452 127.728 120.200 0.128 0.000 2.409 398 E HA 0.181 4.531 4.350 -0.000 0.000 0.257 398 E C -2.042 174.642 176.600 0.139 0.000 1.150 398 E CA -1.288 55.127 56.400 0.024 0.000 0.942 398 E CB 0.166 29.590 29.700 -0.459 0.000 0.979 398 E HN 0.336 nan 8.360 nan 0.000 0.447 399 P HA -0.048 nan 4.420 nan 0.000 0.272 399 P C 0.364 177.696 177.300 0.053 0.000 1.248 399 P CA -0.085 62.923 63.100 -0.153 0.000 0.799 399 P CB 0.444 31.750 31.700 -0.656 0.000 0.997 400 D N 0.286 120.723 120.400 0.061 0.000 2.116 400 D HA -0.173 4.467 4.640 -0.000 0.000 0.193 400 D C 1.597 178.032 176.300 0.225 0.000 0.998 400 D CA 1.651 55.760 54.000 0.181 0.000 0.836 400 D CB -0.378 40.517 40.800 0.158 0.000 0.951 400 D HN 0.468 nan 8.370 nan 0.000 0.449 401 E N -0.033 120.272 120.200 0.174 0.000 2.118 401 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 401 E C 1.840 178.644 176.600 0.340 0.000 0.992 401 E CA 0.433 57.004 56.400 0.286 0.000 0.804 401 E CB -0.458 29.495 29.700 0.422 0.000 0.741 401 E HN 0.356 nan 8.360 nan 0.000 0.458 402 F N -0.049 120.053 119.950 0.252 0.000 2.126 402 F HA -0.227 4.300 4.527 -0.000 0.000 0.299 402 F C 1.530 177.204 175.800 -0.209 0.000 1.096 402 F CA 1.392 59.438 58.000 0.077 0.000 1.255 402 F CB -0.086 38.913 39.000 -0.002 0.000 0.997 402 F HN -0.032 nan 8.300 nan 0.000 0.479 403 F N 0.571 120.542 119.950 0.035 0.000 2.293 403 F HA -0.111 4.416 4.527 -0.000 0.000 0.297 403 F C 2.288 178.000 175.800 -0.147 0.000 1.089 403 F CA 1.129 58.978 58.000 -0.252 0.000 1.377 403 F CB -0.810 37.779 39.000 -0.684 0.000 1.051 403 F HN -0.080 nan 8.300 nan 0.000 0.511 404 D N 0.738 121.242 120.400 0.173 0.000 2.116 404 D HA -0.204 4.436 4.640 -0.000 0.000 0.193 404 D C 2.395 178.759 176.300 0.107 0.000 0.998 404 D CA 1.595 55.731 54.000 0.226 0.000 0.836 404 D CB -0.475 40.454 40.800 0.215 0.000 0.951 404 D HN 0.249 nan 8.370 nan 0.000 0.449 405 I N 1.138 121.717 120.570 0.015 0.000 2.226 405 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 405 I C 2.540 178.597 176.117 -0.101 0.000 1.100 405 I CA 1.044 62.312 61.300 -0.053 0.000 1.374 405 I CB -0.196 37.737 38.000 -0.112 0.000 1.057 405 I HN -0.082 nan 8.210 nan 0.000 0.413 406 A N 0.546 123.227 122.820 -0.231 0.000 1.902 406 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 406 A C 1.929 179.584 177.584 0.119 0.000 1.181 406 A CA 2.076 54.018 52.037 -0.159 0.000 0.623 406 A CB -0.610 18.207 19.000 -0.305 0.000 0.818 406 A HN 0.350 nan 8.150 nan 0.000 0.443 407 D N 0.536 121.042 120.400 0.175 0.000 2.092 407 D HA -0.144 4.496 4.640 -0.000 0.000 0.193 407 D C 1.345 177.907 176.300 0.437 0.000 0.994 407 D CA 1.615 55.817 54.000 0.337 0.000 0.828 407 D CB -0.562 40.366 40.800 0.214 0.000 0.963 407 D HN 0.389 nan 8.370 nan 0.000 0.450 408 D N -0.039 120.491 120.400 0.218 0.000 2.178 408 D HA -0.078 4.562 4.640 -0.000 0.000 0.201 408 D C 2.125 178.481 176.300 0.094 0.000 0.980 408 D CA 0.441 54.527 54.000 0.144 0.000 0.842 408 D CB -0.133 40.709 40.800 0.070 0.000 0.948 408 D HN 0.263 nan 8.370 nan 0.000 0.472 409 L N -1.013 120.258 121.223 0.080 0.000 2.477 409 L HA 0.193 4.533 4.340 -0.000 0.000 0.220 409 L C 1.370 178.247 176.870 0.012 0.000 1.106 409 L CA 0.449 55.301 54.840 0.020 0.000 0.851 409 L CB 0.079 42.130 42.059 -0.013 0.000 0.994 409 L HN 0.115 nan 8.230 nan 0.000 0.462 410 G N 0.758 109.623 108.800 0.108 0.000 2.149 410 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.235 410 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.235 410 G C -0.015 174.963 174.900 0.131 0.000 1.018 410 G CA -0.076 45.044 45.100 0.033 0.000 0.728 410 G HN 0.082 nan 8.290 nan 0.000 0.508 411 V N 1.746 121.753 119.914 0.155 0.000 2.406 411 V HA 0.491 4.611 4.120 -0.000 0.000 0.272 411 V C 1.171 177.360 176.094 0.158 0.000 1.043 411 V CA -0.600 61.755 62.300 0.091 0.000 0.915 411 V CB 1.367 33.181 31.823 -0.014 0.000 0.988 411 V HN 0.360 nan 8.190 nan 0.000 0.466 412 L N 5.021 126.338 121.223 0.157 0.000 2.436 412 L HA 0.534 4.873 4.340 -0.000 0.000 0.265 412 L C 0.596 177.532 176.870 0.110 0.000 1.168 412 L CA 0.020 54.958 54.840 0.162 0.000 0.815 412 L CB 1.163 43.298 42.059 0.127 0.000 1.109 412 L HN 0.801 nan 8.230 nan 0.000 0.462 413 T N -0.033 114.603 114.554 0.137 0.000 2.893 413 T HA 0.651 5.001 4.350 -0.000 0.000 0.293 413 T C -0.481 174.317 174.700 0.164 0.000 1.027 413 T CA -0.812 61.394 62.100 0.176 0.000 0.988 413 T CB 1.722 70.784 68.868 0.323 0.000 1.043 413 T HN 0.494 nan 8.240 nan 0.000 0.461 414 M N 3.642 123.327 119.600 0.142 0.000 2.236 414 M HA 0.317 4.797 4.480 -0.000 0.000 0.228 414 M C -2.598 173.728 176.300 0.042 0.000 0.906 414 M CA -1.860 53.504 55.300 0.106 0.000 0.761 414 M CB 1.709 34.368 32.600 0.097 0.000 1.439 414 M HN 0.480 nan 8.290 nan 0.000 0.394 415 P HA 0.636 nan 4.420 nan 0.000 0.276 415 P C -0.103 176.719 177.300 -0.797 0.000 1.261 415 P CA 0.103 63.068 63.100 -0.226 0.000 0.800 415 P CB 1.635 33.278 31.700 -0.095 0.000 1.066 416 G N -0.855 107.270 108.800 -1.126 0.000 2.356 416 G HA2 0.318 4.278 3.960 -0.000 0.000 0.294 416 G HA3 0.318 4.278 3.960 -0.000 0.000 0.294 416 G C -1.916 172.383 174.900 -1.002 0.000 1.423 416 G CA -0.981 43.173 45.100 -1.576 0.000 0.806 416 G HN 0.391 nan 8.290 nan 0.000 0.527 417 W N 0.759 121.692 121.300 -0.612 0.000 2.129 417 W HA 0.487 5.147 4.660 -0.000 0.000 0.349 417 W C 1.129 177.445 176.519 -0.339 0.000 1.279 417 W CA -0.529 56.474 57.345 -0.569 0.000 1.306 417 W CB 0.707 29.875 29.460 -0.487 0.000 1.140 417 W HN 0.680 nan 8.180 nan 0.000 0.613 418 E N 0.749 120.921 120.200 -0.047 0.000 2.250 418 E HA 0.423 4.773 4.350 -0.000 0.000 0.269 418 E C 0.024 176.713 176.600 0.147 0.000 1.018 418 E CA -0.932 55.494 56.400 0.043 0.000 0.873 418 E CB 1.156 30.835 29.700 -0.035 0.000 1.134 418 E HN 0.549 nan 8.360 nan 0.000 0.403 419 C N -0.111 119.283 119.300 0.156 0.000 2.480 419 C HA 0.435 4.895 4.460 -0.000 0.000 0.344 419 C C 1.019 176.108 174.990 0.166 0.000 1.380 419 C CA -0.024 59.106 59.018 0.187 0.000 2.386 419 C CB -0.440 27.399 27.740 0.165 0.000 2.210 419 C HN 1.056 nan 8.230 nan 0.000 0.640 420 C N 1.520 120.921 119.300 0.169 0.000 4.397 420 C HA -0.024 4.436 4.460 -0.000 0.000 0.291 420 C C -0.029 175.010 174.990 0.081 0.000 1.408 420 C CA 1.306 60.395 59.018 0.118 0.000 1.971 420 C CB -3.663 24.144 27.740 0.112 0.000 1.258 420 C HN 1.239 nan 8.230 nan 0.000 0.795 421 D N -2.077 118.384 120.400 0.102 0.000 3.650 421 D HA 0.369 5.009 4.640 -0.000 0.000 0.341 421 D C 0.569 176.917 176.300 0.080 0.000 1.479 421 D CA -0.086 53.954 54.000 0.067 0.000 0.963 421 D CB -0.064 40.759 40.800 0.039 0.000 1.449 421 D HN -0.138 nan 8.370 nan 0.000 0.601 422 K N -0.409 119.992 120.400 0.003 0.000 2.074 422 K HA -0.085 4.235 4.320 -0.000 0.000 0.209 422 K C 1.759 178.387 176.600 0.046 0.000 1.048 422 K CA 2.012 58.250 56.287 -0.081 0.000 0.926 422 K CB -0.676 31.633 32.500 -0.318 0.000 0.713 422 K HN 0.522 nan 8.250 nan 0.000 0.444 423 W N 1.285 122.646 121.300 0.102 0.000 2.308 423 W HA -0.160 4.500 4.660 -0.000 0.000 0.301 423 W C 1.607 178.289 176.519 0.271 0.000 1.220 423 W CA 1.585 59.047 57.345 0.195 0.000 1.240 423 W CB -0.109 29.385 29.460 0.057 0.000 1.142 423 W HN 0.226 nan 8.180 nan 0.000 0.521 424 E N -0.663 119.747 120.200 0.350 0.000 2.474 424 E HA 0.082 4.432 4.350 -0.000 0.000 0.195 424 E C 2.259 178.861 176.600 0.003 0.000 1.039 424 E CA 0.333 56.835 56.400 0.170 0.000 0.881 424 E CB 0.000 29.823 29.700 0.204 0.000 0.970 424 E HN 0.332 nan 8.360 nan 0.000 0.486 425 G N 1.762 110.622 108.800 0.099 0.000 2.450 425 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.220 425 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.220 425 G C 1.608 176.446 174.900 -0.103 0.000 1.130 425 G CA 0.665 45.790 45.100 0.043 0.000 0.760 425 G HN 0.161 nan 8.290 nan 0.000 0.557 426 Q N 0.305 119.879 119.800 -0.378 0.000 2.378 426 Q HA 0.045 4.385 4.340 -0.000 0.000 0.205 426 Q C 2.161 177.961 176.000 -0.333 0.000 0.954 426 Q CA 1.421 56.948 55.803 -0.461 0.000 0.901 426 Q CB 0.072 28.242 28.738 -0.947 0.000 0.981 426 Q HN 0.473 nan 8.270 nan 0.000 0.483 427 V N -2.404 117.314 119.914 -0.326 0.000 3.604 427 V HA 0.251 4.371 4.120 -0.000 0.000 0.277 427 V C 0.758 176.501 176.094 -0.585 0.000 1.399 427 V CA 0.406 62.518 62.300 -0.312 0.000 1.034 427 V CB -0.221 31.500 31.823 -0.170 0.000 0.824 427 V HN 0.388 nan 8.190 nan 0.000 0.439 428 N N 1.528 119.849 118.700 -0.631 0.000 2.268 428 N HA 0.352 5.092 4.740 -0.000 0.000 0.204 428 N C 1.130 176.247 175.510 -0.655 0.000 1.124 428 N CA 0.616 53.007 53.050 -1.100 0.000 0.838 428 N CB 0.462 38.556 38.487 -0.656 0.000 0.994 428 N HN 0.709 nan 8.380 nan 0.000 0.489 429 G N 1.716 110.273 108.800 -0.404 0.000 2.596 429 G HA2 -0.372 3.587 3.960 -0.000 0.000 0.304 429 G HA3 -0.372 3.587 3.960 -0.000 0.000 0.304 429 G C 0.523 175.338 174.900 -0.142 0.000 1.189 429 G CA 0.536 45.507 45.100 -0.216 0.000 0.986 429 G HN 0.298 nan 8.290 nan 0.000 0.548 430 E N 1.746 121.890 120.200 -0.093 0.000 2.502 430 E HA 0.142 4.492 4.350 -0.000 0.000 0.194 430 E C 1.244 177.815 176.600 -0.049 0.000 1.062 430 E CA 0.664 57.030 56.400 -0.058 0.000 0.867 430 E CB 0.095 29.774 29.700 -0.035 0.000 0.888 430 E HN 0.549 nan 8.360 nan 0.000 0.510 431 E N 1.658 121.822 120.200 -0.061 0.000 2.418 431 E HA -0.040 4.310 4.350 -0.000 0.000 0.261 431 E C -0.380 176.206 176.600 -0.023 0.000 1.070 431 E CA 0.025 56.409 56.400 -0.026 0.000 0.931 431 E CB 0.512 30.214 29.700 0.003 0.000 0.954 431 E HN -0.211 nan 8.360 nan 0.000 0.439 432 K N 1.674 122.075 120.400 0.002 0.000 2.469 432 K HA 0.389 4.709 4.320 -0.000 0.000 0.274 432 K C -0.102 176.500 176.600 0.004 0.000 0.983 432 K CA 0.997 57.286 56.287 0.003 0.000 0.974 432 K CB 0.269 32.778 32.500 0.015 0.000 0.913 432 K HN 0.753 nan 8.250 nan 0.000 0.493 433 G N 2.075 110.872 108.800 -0.004 0.000 3.239 433 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.666 433 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.666 433 G C -1.059 173.840 174.900 -0.001 0.000 1.313 433 G CA -0.982 44.120 45.100 0.002 0.000 1.001 433 G HN 0.529 nan 8.290 nan 0.000 0.573 434 E N 2.854 123.050 120.200 -0.007 0.000 2.383 434 E HA 0.328 4.678 4.350 -0.000 0.000 0.264 434 E C -2.024 174.616 176.600 0.067 0.000 1.050 434 E CA -1.419 54.981 56.400 0.000 0.000 0.896 434 E CB 1.073 30.753 29.700 -0.034 0.000 0.982 434 E HN 0.275 nan 8.360 nan 0.000 0.424 435 P HA -0.075 nan 4.420 nan 0.000 0.267 435 P C -0.993 176.430 177.300 0.205 0.000 1.200 435 P CA 0.113 63.269 63.100 0.092 0.000 0.772 435 P CB 0.351 32.071 31.700 0.034 0.000 0.855 436 W N 2.529 123.748 121.300 -0.135 0.000 2.272 436 W HA 0.325 4.985 4.660 -0.000 0.000 0.318 436 W C 0.050 176.534 176.519 -0.058 0.000 1.255 436 W CA -0.320 56.908 57.345 -0.194 0.000 1.200 436 W CB -0.101 29.103 29.460 -0.427 0.000 1.170 436 W HN 0.106 nan 8.180 nan 0.000 0.549 437 V N 0.610 120.587 119.914 0.105 0.000 2.966 437 V HA 0.408 4.528 4.120 -0.000 0.000 0.317 437 V C 1.095 177.302 176.094 0.188 0.000 1.070 437 V CA -0.772 61.597 62.300 0.115 0.000 1.008 437 V CB 1.686 33.517 31.823 0.013 0.000 1.070 437 V HN 0.564 nan 8.190 nan 0.000 0.457 438 E N 1.775 122.088 120.200 0.188 0.000 2.187 438 E HA -0.207 4.143 4.350 -0.000 0.000 0.199 438 E C 2.230 178.930 176.600 0.165 0.000 1.004 438 E CA 2.073 58.599 56.400 0.210 0.000 0.813 438 E CB -0.351 29.387 29.700 0.063 0.000 0.736 438 E HN 1.049 nan 8.360 nan 0.000 0.468 439 S N 0.313 116.029 115.700 0.026 0.000 2.522 439 S HA -0.066 4.404 4.470 -0.000 0.000 0.227 439 S C 1.332 175.839 174.600 -0.154 0.000 0.986 439 S CA 0.564 58.731 58.200 -0.054 0.000 0.929 439 S CB 0.120 63.266 63.200 -0.090 0.000 0.769 439 S HN 0.048 nan 8.310 nan 0.000 0.529 440 D N 0.908 121.156 120.400 -0.253 0.000 2.183 440 D HA -0.019 4.621 4.640 -0.000 0.000 0.203 440 D C 1.414 177.339 176.300 -0.625 0.000 0.969 440 D CA 0.991 54.604 54.000 -0.646 0.000 0.842 440 D CB -0.358 39.790 40.800 -1.086 0.000 0.957 440 D HN 0.485 nan 8.370 nan 0.000 0.484 441 Y N 0.909 121.102 120.300 -0.178 0.000 2.070 441 Y HA -0.144 4.406 4.550 -0.000 0.000 0.280 441 Y C -0.347 175.509 175.900 -0.074 0.000 1.148 441 Y CA 1.428 59.520 58.100 -0.014 0.000 1.125 441 Y CB -1.741 36.758 38.460 0.065 0.000 0.975 441 Y HN 0.149 nan 8.280 nan 0.000 0.492 442 P HA -0.130 nan 4.420 nan 0.000 0.220 442 P C 1.326 178.600 177.300 -0.044 0.000 1.148 442 P CA 1.580 64.684 63.100 0.007 0.000 0.803 442 P CB -0.133 31.563 31.700 -0.007 0.000 0.782 443 I N -0.478 120.012 120.570 -0.132 0.000 2.202 443 I HA -0.216 3.954 4.170 -0.000 0.000 0.242 443 I C 2.383 178.413 176.117 -0.146 0.000 1.091 443 I CA 1.430 62.633 61.300 -0.163 0.000 1.368 443 I CB -0.955 36.877 38.000 -0.280 0.000 1.058 443 I HN -0.073 nan 8.210 nan 0.000 0.410 444 A N 1.338 124.009 122.820 -0.249 0.000 1.858 444 A HA -0.279 4.041 4.320 -0.000 0.000 0.216 444 A C 2.403 180.136 177.584 0.247 0.000 1.190 444 A CA 2.190 54.189 52.037 -0.063 0.000 0.617 444 A CB -0.627 18.317 19.000 -0.092 0.000 0.827 444 A HN 0.403 nan 8.150 nan 0.000 0.443 445 K N -0.245 120.242 120.400 0.144 0.000 2.063 445 K HA -0.102 4.218 4.320 -0.000 0.000 0.208 445 K C 2.017 178.754 176.600 0.228 0.000 1.048 445 K CA 1.555 57.961 56.287 0.198 0.000 0.928 445 K CB -0.365 32.196 32.500 0.101 0.000 0.713 445 K HN 0.336 nan 8.250 nan 0.000 0.442 446 A N 0.479 123.385 122.820 0.144 0.000 1.929 446 A HA -0.056 4.263 4.320 -0.000 0.000 0.216 446 A C 2.121 179.831 177.584 0.210 0.000 1.176 446 A CA 1.600 53.722 52.037 0.142 0.000 0.628 446 A CB -0.500 18.525 19.000 0.041 0.000 0.816 446 A HN 0.395 nan 8.150 nan 0.000 0.444 447 S N -0.467 115.371 115.700 0.230 0.000 2.365 447 S HA -0.265 4.205 4.470 -0.000 0.000 0.225 447 S C 1.997 176.827 174.600 0.384 0.000 1.039 447 S CA 2.066 60.470 58.200 0.340 0.000 1.033 447 S CB -0.396 63.057 63.200 0.420 0.000 0.887 447 S HN 0.588 nan 8.310 nan 0.000 0.447 448 M N 0.860 120.729 119.600 0.449 0.000 2.117 448 M HA -0.010 4.470 4.480 -0.000 0.000 0.262 448 M C 1.724 178.033 176.300 0.015 0.000 1.065 448 M CA 1.391 56.863 55.300 0.286 0.000 1.114 448 M CB -0.623 32.251 32.600 0.456 0.000 1.361 448 M HN 0.319 nan 8.290 nan 0.000 0.408 449 F N -0.133 119.821 119.950 0.008 0.000 2.102 449 F HA -0.174 4.353 4.527 -0.000 0.000 0.298 449 F C 2.131 177.871 175.800 -0.101 0.000 1.105 449 F CA 2.098 60.059 58.000 -0.065 0.000 1.239 449 F CB -0.654 38.325 39.000 -0.034 0.000 0.991 449 F HN 0.156 nan 8.300 nan 0.000 0.474 450 S N 0.103 115.807 115.700 0.005 0.000 2.383 450 S HA -0.157 4.313 4.470 -0.000 0.000 0.227 450 S C 1.829 176.307 174.600 -0.203 0.000 1.026 450 S CA 1.186 59.325 58.200 -0.102 0.000 0.981 450 S CB -0.343 62.878 63.200 0.035 0.000 0.818 450 S HN 0.414 nan 8.310 nan 0.000 0.472 451 E N 1.607 121.692 120.200 -0.191 0.000 2.072 451 E HA 0.024 4.373 4.350 -0.000 0.000 0.190 451 E C 2.377 178.675 176.600 -0.503 0.000 0.982 451 E CA 1.041 57.253 56.400 -0.312 0.000 0.803 451 E CB -0.483 28.982 29.700 -0.392 0.000 0.755 451 E HN 0.476 nan 8.360 nan 0.000 0.453 452 A N 1.344 123.765 122.820 -0.666 0.000 1.933 452 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 452 A C 2.118 179.458 177.584 -0.406 0.000 1.175 452 A CA 1.755 53.354 52.037 -0.729 0.000 0.628 452 A CB -0.448 18.085 19.000 -0.779 0.000 0.814 452 A HN 0.316 nan 8.150 nan 0.000 0.444 453 E N -0.303 119.566 120.200 -0.551 0.000 2.072 453 E HA -0.203 4.147 4.350 -0.000 0.000 0.191 453 E C 2.238 178.675 176.600 -0.272 0.000 0.985 453 E CA 0.939 57.039 56.400 -0.499 0.000 0.801 453 E CB -0.157 29.120 29.700 -0.705 0.000 0.750 453 E HN 0.572 nan 8.360 nan 0.000 0.452 454 R N -0.218 120.145 120.500 -0.229 0.000 2.091 454 R HA -0.087 4.253 4.340 -0.000 0.000 0.238 454 R C 2.293 178.560 176.300 -0.056 0.000 1.136 454 R CA 1.481 57.510 56.100 -0.118 0.000 0.959 454 R CB -0.029 30.199 30.300 -0.120 0.000 0.856 454 R HN 0.289 nan 8.270 nan 0.000 0.437 455 L N -0.132 121.028 121.223 -0.106 0.000 2.556 455 L HA 0.107 4.447 4.340 -0.000 0.000 0.226 455 L C 2.199 179.120 176.870 0.085 0.000 1.089 455 L CA -0.014 54.791 54.840 -0.057 0.000 0.864 455 L CB -0.107 41.832 42.059 -0.200 0.000 1.067 455 L HN 0.128 nan 8.230 nan 0.000 0.477 456 R N -0.239 120.313 120.500 0.087 0.000 2.170 456 R HA -0.163 4.177 4.340 -0.000 0.000 0.242 456 R C 0.424 176.675 176.300 -0.081 0.000 1.145 456 R CA 1.642 57.753 56.100 0.018 0.000 0.984 456 R CB -0.475 29.821 30.300 -0.007 0.000 0.869 456 R HN 0.198 nan 8.270 nan 0.000 0.455 457 D N 0.038 120.384 120.400 -0.090 0.000 2.363 457 D HA 0.089 4.729 4.640 -0.000 0.000 0.214 457 D C -0.436 175.709 176.300 -0.258 0.000 1.093 457 D CA 0.152 54.071 54.000 -0.134 0.000 0.837 457 D CB 0.119 40.851 40.800 -0.112 0.000 0.948 457 D HN 0.278 nan 8.370 nan 0.000 0.507 458 H N 0.877 119.882 119.070 -0.107 0.000 2.640 458 H HA 0.132 4.688 4.556 -0.000 0.000 0.297 458 H C -1.408 173.760 175.328 -0.267 0.000 1.073 458 H CA -1.525 54.436 56.048 -0.145 0.000 1.305 458 H CB 1.749 31.465 29.762 -0.077 0.000 1.404 458 H HN -0.063 nan 8.280 nan 0.000 0.459 459 P HA -0.170 nan 4.420 nan 0.000 0.218 459 P C 1.532 178.316 177.300 -0.860 0.000 1.148 459 P CA 1.182 63.785 63.100 -0.829 0.000 0.822 459 P CB 0.269 30.947 31.700 -1.703 0.000 0.784 460 S N -1.142 114.219 115.700 -0.566 0.000 2.447 460 S HA -0.032 4.438 4.470 -0.000 0.000 0.233 460 S C 1.029 175.643 174.600 0.022 0.000 1.006 460 S CA 0.246 58.348 58.200 -0.163 0.000 0.957 460 S CB -1.422 61.837 63.200 0.099 0.000 0.773 460 S HN -0.081 nan 8.310 nan 0.000 0.507 461 V N 3.753 123.685 119.914 0.030 0.000 2.479 461 V HA 0.182 4.302 4.120 -0.000 0.000 0.281 461 V C 1.253 177.382 176.094 0.059 0.000 1.031 461 V CA 0.101 62.459 62.300 0.097 0.000 1.038 461 V CB 0.376 32.250 31.823 0.084 0.000 0.981 461 V HN 0.632 nan 8.190 nan 0.000 0.478 462 I N 2.113 122.752 120.570 0.115 0.000 4.070 462 I HA 0.407 4.577 4.170 -0.000 0.000 0.328 462 I C 0.648 176.911 176.117 0.245 0.000 1.298 462 I CA 0.168 61.561 61.300 0.155 0.000 1.173 462 I CB 0.524 38.611 38.000 0.146 0.000 1.051 462 I HN 0.665 nan 8.210 nan 0.000 0.409 463 S N -0.175 115.660 115.700 0.225 0.000 2.656 463 S HA 0.538 5.008 4.470 -0.000 0.000 0.265 463 S C -1.508 173.255 174.600 0.272 0.000 1.110 463 S CA -0.755 57.585 58.200 0.233 0.000 0.821 463 S CB 1.521 64.861 63.200 0.232 0.000 1.099 463 S HN 0.200 nan 8.310 nan 0.000 0.471 464 F N 1.498 121.480 119.950 0.054 0.000 2.539 464 F HA 0.506 5.033 4.527 -0.000 0.000 0.318 464 F C -0.265 175.414 175.800 -0.202 0.000 1.135 464 F CA -0.374 57.554 58.000 -0.119 0.000 0.915 464 F CB 1.646 40.464 39.000 -0.304 0.000 1.176 464 F HN 0.773 nan 8.300 nan 0.000 0.440 465 H N 7.615 126.381 119.070 -0.508 0.000 2.723 465 H HA 0.255 4.811 4.556 -0.000 0.000 0.294 465 H C 1.126 176.256 175.328 -0.330 0.000 1.079 465 H CA 0.228 56.084 56.048 -0.320 0.000 1.411 465 H CB 1.329 30.898 29.762 -0.322 0.000 1.439 465 H HN 0.764 nan 8.280 nan 0.000 0.474 466 I N 0.592 121.185 120.570 0.038 0.000 3.564 466 I HA 0.287 4.457 4.170 -0.000 0.000 0.294 466 I C 0.809 177.111 176.117 0.308 0.000 1.289 466 I CA 0.014 61.387 61.300 0.121 0.000 1.325 466 I CB 0.450 38.559 38.000 0.181 0.000 1.039 466 I HN 0.317 nan 8.210 nan 0.000 0.474 467 G N -0.457 108.483 108.800 0.234 0.000 2.720 467 G HA2 0.443 4.403 3.960 -0.000 0.000 0.295 467 G HA3 0.443 4.403 3.960 -0.000 0.000 0.295 467 G C -0.721 174.292 174.900 0.189 0.000 1.437 467 G CA 0.144 45.400 45.100 0.259 0.000 0.886 467 G HN -0.044 nan 8.290 nan 0.000 0.509 468 S N -0.661 115.132 115.700 0.155 0.000 3.049 468 S HA 0.152 4.622 4.470 -0.000 0.000 0.182 468 S C 1.428 176.043 174.600 0.026 0.000 0.725 468 S CA 1.079 59.311 58.200 0.054 0.000 0.811 468 S CB 0.025 63.254 63.200 0.049 0.000 0.801 468 S HN 0.446 nan 8.310 nan 0.000 0.627 469 D N 0.518 120.945 120.400 0.046 0.000 2.103 469 D HA 0.169 4.809 4.640 -0.000 0.000 0.199 469 D C -0.158 175.993 176.300 -0.249 0.000 0.978 469 D CA 1.011 54.957 54.000 -0.089 0.000 0.829 469 D CB -0.054 40.726 40.800 -0.033 0.000 0.981 469 D HN 0.295 nan 8.370 nan 0.000 0.464 470 F N 0.294 120.279 119.950 0.058 0.000 2.458 470 F HA 0.565 5.092 4.527 -0.000 0.000 0.336 470 F C 0.563 176.409 175.800 0.078 0.000 1.114 470 F CA -1.425 56.607 58.000 0.054 0.000 0.987 470 F CB 1.304 40.325 39.000 0.034 0.000 1.130 470 F HN -0.214 nan 8.300 nan 0.000 0.458 471 A N 4.861 127.812 122.820 0.219 0.000 2.445 471 A HA 0.457 4.777 4.320 -0.000 0.000 0.242 471 A C -2.230 175.465 177.584 0.184 0.000 1.075 471 A CA -1.179 50.965 52.037 0.180 0.000 0.777 471 A CB -0.515 18.560 19.000 0.125 0.000 1.013 471 A HN 0.451 nan 8.150 nan 0.000 0.493 472 P HA 0.169 nan 4.420 nan 0.000 0.272 472 P C -0.728 176.610 177.300 0.063 0.000 1.240 472 P CA -0.251 62.931 63.100 0.136 0.000 0.791 472 P CB 0.427 32.276 31.700 0.248 0.000 0.978 473 D N -0.249 120.141 120.400 -0.018 0.000 2.433 473 D HA 0.096 4.736 4.640 -0.000 0.000 0.255 473 D C 1.346 177.645 176.300 -0.002 0.000 1.226 473 D CA -0.516 53.473 54.000 -0.018 0.000 1.015 473 D CB 0.448 41.213 40.800 -0.059 0.000 1.091 473 D HN 0.328 nan 8.370 nan 0.000 0.527 474 R N -0.329 120.171 120.500 -0.001 0.000 2.070 474 R HA -0.163 4.177 4.340 -0.000 0.000 0.233 474 R C 2.364 178.664 176.300 0.000 0.000 1.137 474 R CA 1.438 57.543 56.100 0.007 0.000 0.945 474 R CB -0.190 30.110 30.300 0.000 0.000 0.845 474 R HN 0.546 nan 8.270 nan 0.000 0.430 475 R N 0.387 120.878 120.500 -0.015 0.000 2.096 475 R HA -0.147 4.193 4.340 -0.000 0.000 0.240 475 R C 2.185 178.487 176.300 0.003 0.000 1.139 475 R CA 2.133 58.223 56.100 -0.017 0.000 0.952 475 R CB -0.300 29.976 30.300 -0.041 0.000 0.854 475 R HN 0.359 nan 8.270 nan 0.000 0.436 476 I N 0.134 120.689 120.570 -0.025 0.000 2.333 476 I HA -0.180 3.990 4.170 -0.000 0.000 0.246 476 I C 2.541 178.544 176.117 -0.190 0.000 1.106 476 I CA 1.175 62.385 61.300 -0.151 0.000 1.411 476 I CB -0.412 37.397 38.000 -0.319 0.000 1.082 476 I HN 0.375 nan 8.210 nan 0.000 0.420 477 E N 0.845 121.051 120.200 0.010 0.000 2.085 477 E HA -0.330 4.020 4.350 -0.000 0.000 0.194 477 E C 2.165 178.834 176.600 0.116 0.000 0.994 477 E CA 1.485 57.976 56.400 0.151 0.000 0.801 477 E CB 0.067 29.852 29.700 0.141 0.000 0.743 477 E HN 0.295 nan 8.360 nan 0.000 0.453 478 Q N 0.090 119.921 119.800 0.051 0.000 2.084 478 Q HA -0.087 4.253 4.340 -0.000 0.000 0.202 478 Q C 1.978 178.008 176.000 0.051 0.000 0.978 478 Q CA 2.019 57.852 55.803 0.049 0.000 0.844 478 Q CB -0.859 27.892 28.738 0.022 0.000 0.898 478 Q HN 0.371 nan 8.270 nan 0.000 0.426 479 G N -0.777 108.027 108.800 0.006 0.000 2.491 479 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.218 479 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.218 479 G C 0.964 175.921 174.900 0.095 0.000 1.180 479 G CA 1.232 46.334 45.100 0.005 0.000 0.774 479 G HN 0.397 nan 8.290 nan 0.000 0.562 480 Y N 0.630 121.028 120.300 0.162 0.000 2.145 480 Y HA 0.056 4.606 4.550 -0.000 0.000 0.286 480 Y C 2.886 178.834 175.900 0.078 0.000 1.145 480 Y CA 0.424 58.616 58.100 0.154 0.000 1.148 480 Y CB -0.877 37.715 38.460 0.220 0.000 0.981 480 Y HN 0.066 nan 8.280 nan 0.000 0.507 481 L N -0.387 120.980 121.223 0.241 0.000 2.042 481 L HA -0.258 4.082 4.340 -0.000 0.000 0.210 481 L C 1.986 178.927 176.870 0.118 0.000 1.076 481 L CA 1.559 56.487 54.840 0.147 0.000 0.749 481 L CB -0.543 41.587 42.059 0.118 0.000 0.893 481 L HN 0.157 nan 8.230 nan 0.000 0.432 482 D N 0.095 120.563 120.400 0.113 0.000 2.097 482 D HA -0.140 4.500 4.640 -0.000 0.000 0.197 482 D C 2.257 178.626 176.300 0.116 0.000 0.984 482 D CA 1.483 55.538 54.000 0.092 0.000 0.826 482 D CB -0.150 40.690 40.800 0.067 0.000 0.973 482 D HN 0.281 nan 8.370 nan 0.000 0.460 483 A N 0.597 123.508 122.820 0.152 0.000 1.892 483 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 483 A C 2.266 179.957 177.584 0.178 0.000 1.188 483 A CA 1.740 53.908 52.037 0.219 0.000 0.631 483 A CB -0.656 18.495 19.000 0.252 0.000 0.822 483 A HN 0.185 nan 8.150 nan 0.000 0.447 484 M N -1.327 118.318 119.600 0.074 0.000 2.229 484 M HA -0.118 4.362 4.480 -0.000 0.000 0.264 484 M C 2.256 178.620 176.300 0.106 0.000 1.063 484 M CA 1.720 57.034 55.300 0.022 0.000 1.114 484 M CB -0.176 32.424 32.600 -0.001 0.000 1.387 484 M HN 0.450 nan 8.290 nan 0.000 0.420 485 K N 0.412 120.876 120.400 0.108 0.000 2.025 485 K HA -0.097 4.223 4.320 -0.000 0.000 0.207 485 K C 1.927 178.593 176.600 0.110 0.000 1.049 485 K CA 1.385 57.730 56.287 0.096 0.000 0.933 485 K CB -0.072 32.474 32.500 0.077 0.000 0.714 485 K HN 0.277 nan 8.250 nan 0.000 0.438 486 A N 0.787 123.694 122.820 0.145 0.000 1.972 486 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 486 A C 2.071 179.807 177.584 0.254 0.000 1.169 486 A CA 1.777 53.927 52.037 0.187 0.000 0.635 486 A CB -0.485 18.619 19.000 0.174 0.000 0.810 486 A HN 0.432 nan 8.150 nan 0.000 0.446 487 A N -1.032 121.898 122.820 0.184 0.000 2.251 487 A HA 0.248 4.568 4.320 -0.000 0.000 0.209 487 A C 0.418 177.943 177.584 -0.098 0.000 1.187 487 A CA 0.720 52.710 52.037 -0.078 0.000 0.823 487 A CB -0.252 18.535 19.000 -0.355 0.000 0.846 487 A HN 0.430 nan 8.150 nan 0.000 0.486 488 D N -1.869 118.553 120.400 0.036 0.000 2.737 488 D HA -0.211 4.429 4.640 -0.000 0.000 0.233 488 D C -0.320 175.996 176.300 0.027 0.000 1.155 488 D CA 0.875 54.909 54.000 0.057 0.000 0.667 488 D CB -1.726 39.166 40.800 0.153 0.000 1.060 488 D HN 0.524 nan 8.370 nan 0.000 0.427 489 F N 0.606 120.487 119.950 -0.116 0.000 2.438 489 F HA 0.259 4.786 4.527 -0.000 0.000 0.360 489 F C 1.038 176.783 175.800 -0.090 0.000 1.118 489 F CA -0.357 57.561 58.000 -0.137 0.000 1.164 489 F CB 0.359 39.238 39.000 -0.202 0.000 1.131 489 F HN -0.023 nan 8.300 nan 0.000 0.527 490 L N 6.822 127.752 121.223 -0.487 0.000 2.769 490 L HA 0.251 4.590 4.340 -0.000 0.000 0.240 490 L C 0.089 176.739 176.870 -0.367 0.000 1.163 490 L CA -0.097 54.565 54.840 -0.296 0.000 0.962 490 L CB -0.285 41.661 42.059 -0.188 0.000 1.258 490 L HN 0.497 nan 8.230 nan 0.000 0.513 491 L N 0.221 121.014 121.223 -0.717 0.000 2.468 491 L HA 0.313 4.653 4.340 -0.000 0.000 0.254 491 L C -1.940 174.861 176.870 -0.116 0.000 1.171 491 L CA -1.822 52.759 54.840 -0.432 0.000 0.809 491 L CB 0.230 41.947 42.059 -0.570 0.000 1.155 491 L HN -0.190 nan 8.230 nan 0.000 0.473 492 P HA 0.046 nan 4.420 nan 0.000 0.267 492 P C -1.043 176.272 177.300 0.026 0.000 1.205 492 P CA -0.051 63.026 63.100 -0.038 0.000 0.765 492 P CB 0.640 32.271 31.700 -0.115 0.000 0.828 493 V N 5.698 125.618 119.914 0.010 0.000 2.394 493 V HA 0.321 4.441 4.120 -0.000 0.000 0.282 493 V C 0.417 176.453 176.094 -0.096 0.000 1.031 493 V CA -0.351 61.962 62.300 0.022 0.000 0.881 493 V CB 0.964 32.825 31.823 0.064 0.000 0.982 493 V HN 0.353 nan 8.190 nan 0.000 0.451 494 I N 7.606 128.048 120.570 -0.213 0.000 2.339 494 I HA 0.352 4.522 4.170 -0.000 0.000 0.290 494 I C -1.307 174.697 176.117 -0.188 0.000 0.994 494 I CA -1.816 59.275 61.300 -0.349 0.000 1.191 494 I CB 2.211 39.713 38.000 -0.829 0.000 1.343 494 I HN 0.427 nan 8.210 nan 0.000 0.458 495 P HA -0.028 nan 4.420 nan 0.000 0.217 495 P C 0.272 177.628 177.300 0.092 0.000 1.151 495 P CA 1.004 64.128 63.100 0.040 0.000 0.828 495 P CB 0.608 32.331 31.700 0.037 0.000 0.788 496 A N -1.649 121.223 122.820 0.088 0.000 2.602 496 A HA 0.661 4.981 4.320 -0.000 0.000 0.290 496 A C 0.472 178.193 177.584 0.229 0.000 1.114 496 A CA 0.042 52.175 52.037 0.159 0.000 0.683 496 A CB 0.558 19.604 19.000 0.077 0.000 1.281 496 A HN -0.053 nan 8.150 nan 0.000 0.416 497 A N -0.051 122.851 122.820 0.137 0.000 2.147 497 A HA 0.454 4.774 4.320 -0.000 0.000 0.211 497 A C 1.340 178.929 177.584 0.007 0.000 1.160 497 A CA 1.318 53.382 52.037 0.044 0.000 0.781 497 A CB -0.637 18.252 19.000 -0.184 0.000 0.842 497 A HN 1.798 nan 8.150 nan 0.000 0.475 498 S N -1.144 114.548 115.700 -0.014 0.000 2.686 498 S HA 0.587 5.057 4.470 -0.000 0.000 0.270 498 S C 1.012 175.609 174.600 -0.004 0.000 1.194 498 S CA -0.004 58.176 58.200 -0.034 0.000 0.990 498 S CB 1.263 64.397 63.200 -0.109 0.000 1.029 498 S HN 0.809 nan 8.310 nan 0.000 0.560 499 A N -0.163 122.656 122.820 -0.001 0.000 2.252 499 A HA 0.200 4.520 4.320 -0.000 0.000 0.207 499 A C 0.949 178.541 177.584 0.013 0.000 1.194 499 A CA -0.175 51.877 52.037 0.024 0.000 0.809 499 A CB -0.554 18.475 19.000 0.048 0.000 0.814 499 A HN 0.697 nan 8.150 nan 0.000 0.482 500 R N 1.221 121.714 120.500 -0.012 0.000 2.442 500 R HA 0.253 4.592 4.340 -0.000 0.000 0.291 500 R C -2.547 173.768 176.300 0.025 0.000 1.069 500 R CA -1.316 54.781 56.100 -0.004 0.000 1.022 500 R CB 0.418 30.691 30.300 -0.044 0.000 0.976 500 R HN 0.266 nan 8.270 nan 0.000 0.443 501 P HA 0.112 nan 4.420 nan 0.000 0.285 501 P C -0.839 176.492 177.300 0.053 0.000 1.269 501 P CA -0.599 62.524 63.100 0.038 0.000 0.844 501 P CB 1.539 33.259 31.700 0.032 0.000 1.094 502 S N 0.547 116.280 115.700 0.055 0.000 2.690 502 S HA 0.492 4.962 4.470 -0.000 0.000 0.291 502 S C -1.902 172.727 174.600 0.049 0.000 1.138 502 S CA -1.365 56.873 58.200 0.065 0.000 1.013 502 S CB 0.696 63.946 63.200 0.082 0.000 1.053 502 S HN 0.204 nan 8.310 nan 0.000 0.539 503 P HA 0.070 nan 4.420 nan 0.000 0.217 503 P C 0.987 178.306 177.300 0.032 0.000 1.151 503 P CA 0.942 64.062 63.100 0.034 0.000 0.828 503 P CB -0.017 31.700 31.700 0.028 0.000 0.788 504 I N -1.830 118.764 120.570 0.040 0.000 2.522 504 I HA -0.084 4.086 4.170 -0.000 0.000 0.240 504 I C 2.014 178.151 176.117 0.033 0.000 1.078 504 I CA 1.192 62.513 61.300 0.036 0.000 1.422 504 I CB -1.227 36.798 38.000 0.043 0.000 1.188 504 I HN -0.178 nan 8.210 nan 0.000 0.442 505 T N 0.521 115.100 114.554 0.042 0.000 2.881 505 T HA 0.104 4.454 4.350 -0.000 0.000 0.270 505 T C 1.028 175.737 174.700 0.015 0.000 1.068 505 T CA 1.128 63.245 62.100 0.029 0.000 1.131 505 T CB -0.428 68.461 68.868 0.036 0.000 0.871 505 T HN 0.695 nan 8.240 nan 0.000 0.479 506 G N 0.942 109.755 108.800 0.022 0.000 2.475 506 G HA2 0.126 4.085 3.960 -0.000 0.000 0.223 506 G HA3 0.126 4.085 3.960 -0.000 0.000 0.223 506 G C -0.062 174.846 174.900 0.013 0.000 1.201 506 G CA -0.399 44.711 45.100 0.016 0.000 0.962 506 G HN 0.804 nan 8.290 nan 0.000 0.586 507 A N -0.077 122.748 122.820 0.008 0.000 2.462 507 A HA 0.628 4.948 4.320 -0.000 0.000 0.243 507 A C 1.798 179.379 177.584 -0.006 0.000 1.076 507 A CA 1.424 53.466 52.037 0.009 0.000 0.773 507 A CB 0.450 19.458 19.000 0.014 0.000 1.010 507 A HN 2.344 nan 8.150 nan 0.000 0.493 508 S N 2.040 117.739 115.700 -0.001 0.000 2.395 508 S HA 0.254 4.724 4.470 -0.000 0.000 0.225 508 S C 1.522 176.098 174.600 -0.040 0.000 1.027 508 S CA 1.057 59.242 58.200 -0.026 0.000 0.965 508 S CB -0.627 62.573 63.200 -0.000 0.000 0.812 508 S HN 2.609 nan 8.310 nan 0.000 0.482 509 G N 1.353 110.157 108.800 0.007 0.000 2.160 509 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.251 509 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.251 509 G C -0.078 174.869 174.900 0.079 0.000 1.008 509 G CA 0.765 45.888 45.100 0.039 0.000 0.724 509 G HN 0.543 nan 8.290 nan 0.000 0.514 510 M N -0.925 118.718 119.600 0.070 0.000 2.690 510 M HA 0.577 5.057 4.480 -0.000 0.000 0.302 510 M C -0.055 176.298 176.300 0.088 0.000 1.234 510 M CA -0.940 54.431 55.300 0.119 0.000 0.853 510 M CB 2.495 35.137 32.600 0.070 0.000 1.748 510 M HN 0.285 nan 8.290 nan 0.000 0.469 511 K N 0.959 121.400 120.400 0.069 0.000 2.371 511 K HA 0.701 5.021 4.320 -0.000 0.000 0.251 511 K C -1.340 175.246 176.600 -0.024 0.000 0.934 511 K CA -0.757 55.526 56.287 -0.006 0.000 0.798 511 K CB 2.785 35.219 32.500 -0.111 0.000 1.204 511 K HN 0.836 nan 8.250 nan 0.000 0.427 512 M N 4.092 123.684 119.600 -0.013 0.000 2.746 512 M HA 0.259 4.739 4.480 -0.000 0.000 0.209 512 M C -0.939 175.410 176.300 0.081 0.000 1.077 512 M CA -0.400 54.902 55.300 0.003 0.000 0.695 512 M CB 0.310 32.903 32.600 -0.013 0.000 1.416 512 M HN 0.675 nan 8.290 nan 0.000 0.459 513 N N 1.137 119.873 118.700 0.061 0.000 2.270 513 N HA 0.241 4.981 4.740 -0.000 0.000 0.198 513 N C 0.786 176.416 175.510 0.200 0.000 1.117 513 N CA 0.870 54.000 53.050 0.133 0.000 0.845 513 N CB 0.659 39.198 38.487 0.087 0.000 0.980 513 N HN 0.798 nan 8.380 nan 0.000 0.486 514 G N 1.572 110.483 108.800 0.186 0.000 2.750 514 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.228 514 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.228 514 G C -2.787 172.078 174.900 -0.059 0.000 1.367 514 G CA -0.732 44.413 45.100 0.074 0.000 0.871 514 G HN 0.133 nan 8.290 nan 0.000 0.560 515 P HA 0.441 nan 4.420 nan 0.000 0.276 515 P C -0.658 176.445 177.300 -0.327 0.000 1.261 515 P CA -0.011 63.001 63.100 -0.147 0.000 0.800 515 P CB 0.588 32.073 31.700 -0.358 0.000 1.066 516 Y N -2.027 118.348 120.300 0.125 0.000 2.767 516 Y HA 0.331 4.881 4.550 -0.000 0.000 0.254 516 Y C 0.522 176.633 175.900 0.353 0.000 1.133 516 Y CA -0.086 58.086 58.100 0.120 0.000 1.225 516 Y CB 0.972 39.461 38.460 0.048 0.000 1.312 516 Y HN 0.249 nan 8.280 nan 0.000 0.560 517 D N -1.825 118.832 120.400 0.429 0.000 2.768 517 D HA 0.073 4.713 4.640 -0.000 0.000 0.327 517 D C -1.411 175.052 176.300 0.272 0.000 1.302 517 D CA -0.781 53.479 54.000 0.433 0.000 0.897 517 D CB 1.385 42.517 40.800 0.553 0.000 1.420 517 D HN -0.157 nan 8.370 nan 0.000 0.494 518 Y N 1.518 121.950 120.300 0.220 0.000 2.650 518 Y HA 0.268 4.818 4.550 -0.000 0.000 0.331 518 Y C -0.042 175.895 175.900 0.062 0.000 1.165 518 Y CA 0.552 58.765 58.100 0.188 0.000 1.473 518 Y CB 0.110 38.714 38.460 0.240 0.000 1.224 518 Y HN 0.102 nan 8.280 nan 0.000 0.533 519 V N 5.848 125.241 119.914 -0.869 0.000 2.876 519 V HA 0.726 4.846 4.120 -0.000 0.000 0.312 519 V C -2.851 172.585 176.094 -1.098 0.000 1.085 519 V CA -2.719 59.045 62.300 -0.893 0.000 0.945 519 V CB 1.935 32.987 31.823 -1.285 0.000 1.017 519 V HN 0.637 nan 8.190 nan 0.000 0.428 520 P HA 0.374 nan 4.420 nan 0.000 0.276 520 P C -2.442 174.795 177.300 -0.106 0.000 1.244 520 P CA -1.684 61.313 63.100 -0.172 0.000 0.801 520 P CB 0.859 32.554 31.700 -0.009 0.000 1.006 521 P HA -0.182 nan 4.420 nan 0.000 0.216 521 P C 1.715 179.134 177.300 0.198 0.000 1.157 521 P CA 1.037 64.193 63.100 0.094 0.000 0.880 521 P CB -0.273 31.242 31.700 -0.310 0.000 0.791 522 V N -1.276 118.693 119.914 0.092 0.000 2.688 522 V HA -0.283 3.837 4.120 -0.000 0.000 0.256 522 V C 2.174 178.423 176.094 0.258 0.000 1.084 522 V CA 1.635 64.079 62.300 0.240 0.000 1.103 522 V CB -1.306 30.596 31.823 0.132 0.000 0.688 522 V HN 0.071 nan 8.190 nan 0.000 0.480 523 Y N -0.213 120.048 120.300 -0.064 0.000 2.151 523 Y HA -0.315 4.235 4.550 -0.000 0.000 0.284 523 Y C 1.918 177.778 175.900 -0.066 0.000 1.166 523 Y CA 2.437 60.432 58.100 -0.176 0.000 1.163 523 Y CB -0.449 37.683 38.460 -0.547 0.000 0.974 523 Y HN 0.437 nan 8.280 nan 0.000 0.511 524 W N -1.560 119.926 121.300 0.310 0.000 2.468 524 W HA -0.161 4.499 4.660 -0.000 0.000 0.262 524 W C 1.315 177.752 176.519 -0.137 0.000 1.241 524 W CA 0.652 58.057 57.345 0.100 0.000 1.232 524 W CB -0.562 28.916 29.460 0.030 0.000 1.124 524 W HN 0.108 nan 8.180 nan 0.000 0.597 525 Y N 0.000 120.436 120.300 0.227 0.000 2.529 525 Y HA 0.011 4.561 4.550 -0.000 0.000 0.290 525 Y C 0.694 176.638 175.900 0.073 0.000 1.177 525 Y CA 0.152 58.333 58.100 0.135 0.000 1.305 525 Y CB -0.468 38.070 38.460 0.129 0.000 1.047 525 Y HN -0.207 nan 8.280 nan 0.000 0.522 526 D N 0.206 120.686 120.400 0.133 0.000 2.304 526 D HA 0.138 4.778 4.640 -0.000 0.000 0.250 526 D C 0.446 176.796 176.300 0.083 0.000 1.107 526 D CA 0.015 54.048 54.000 0.055 0.000 0.885 526 D CB 0.825 41.604 40.800 -0.036 0.000 1.192 526 D HN 0.060 nan 8.370 nan 0.000 0.436 527 K N 1.451 121.827 120.400 -0.039 0.000 2.438 527 K HA 0.041 4.361 4.320 -0.000 0.000 0.206 527 K C 1.413 177.748 176.600 -0.442 0.000 1.081 527 K CA 0.097 56.256 56.287 -0.214 0.000 1.053 527 K CB 0.634 33.038 32.500 -0.161 0.000 0.908 527 K HN 0.438 nan 8.250 nan 0.000 0.556 528 S N 0.453 115.942 115.700 -0.351 0.000 2.425 528 S HA 0.013 4.482 4.470 -0.000 0.000 0.225 528 S C 0.804 175.127 174.600 -0.462 0.000 1.024 528 S CA 0.179 58.148 58.200 -0.384 0.000 0.951 528 S CB 0.098 63.105 63.200 -0.321 0.000 0.796 528 S HN 0.045 nan 8.310 nan 0.000 0.498 529 Q N 1.617 121.085 119.800 -0.552 0.000 2.314 529 Q HA 0.336 4.676 4.340 -0.000 0.000 0.257 529 Q C 0.309 176.185 176.000 -0.208 0.000 0.975 529 Q CA -0.273 55.231 55.803 -0.498 0.000 0.933 529 Q CB 1.396 29.627 28.738 -0.845 0.000 1.195 529 Q HN 0.350 nan 8.270 nan 0.000 0.426 530 K N 1.131 121.423 120.400 -0.180 0.000 2.296 530 K HA -0.038 4.282 4.320 -0.000 0.000 0.200 530 K C 0.103 176.839 176.600 0.227 0.000 1.048 530 K CA 0.650 56.888 56.287 -0.081 0.000 0.966 530 K CB 0.515 32.937 32.500 -0.131 0.000 0.754 530 K HN 0.425 nan 8.250 nan 0.000 0.466 531 D N 0.716 121.202 120.400 0.142 0.000 2.388 531 D HA 0.062 4.702 4.640 -0.000 0.000 0.221 531 D C 0.373 176.785 176.300 0.187 0.000 1.133 531 D CA 0.158 54.258 54.000 0.166 0.000 0.831 531 D CB 0.559 41.425 40.800 0.111 0.000 0.962 531 D HN -0.039 nan 8.370 nan 0.000 0.502 532 R N -0.996 119.638 120.500 0.223 0.000 3.018 532 R HA 0.581 4.921 4.340 -0.000 0.000 0.243 532 R C 0.990 177.339 176.300 0.082 0.000 1.315 532 R CA -0.885 55.329 56.100 0.189 0.000 1.039 532 R CB 0.014 30.420 30.300 0.177 0.000 1.315 532 R HN -0.105 nan 8.270 nan 0.000 0.492 533 G N -0.220 108.644 108.800 0.107 0.000 3.448 533 G HA2 0.182 4.142 3.960 -0.000 0.000 0.261 533 G HA3 0.182 4.142 3.960 -0.000 0.000 0.261 533 G C 0.521 175.437 174.900 0.027 0.000 1.173 533 G CA 0.074 45.196 45.100 0.036 0.000 0.835 533 G HN 0.576 nan 8.290 nan 0.000 0.534 534 G N -0.066 108.663 108.800 -0.118 0.000 2.647 534 G HA2 0.393 4.353 3.960 -0.000 0.000 0.234 534 G HA3 0.393 4.353 3.960 -0.000 0.000 0.234 534 G C 0.721 175.446 174.900 -0.292 0.000 1.252 534 G CA 0.189 45.256 45.100 -0.055 0.000 0.846 534 G HN 0.672 nan 8.290 nan 0.000 0.589 535 A N 2.799 125.435 122.820 -0.307 0.000 2.897 535 A HA 0.468 4.787 4.320 -0.000 0.000 0.287 535 A C 0.036 177.505 177.584 -0.192 0.000 1.748 535 A CA -0.098 51.462 52.037 -0.796 0.000 1.397 535 A CB -1.018 17.481 19.000 -0.834 0.000 1.049 535 A HN 0.941 nan 8.150 nan 0.000 0.592 536 W N -0.008 121.191 121.300 -0.169 0.000 3.419 536 W HA 0.561 5.221 4.660 -0.000 0.000 0.298 536 W C -0.138 176.395 176.519 0.023 0.000 1.260 536 W CA -0.181 57.129 57.345 -0.058 0.000 1.199 536 W CB -0.048 29.376 29.460 -0.060 0.000 1.349 536 W HN 1.073 nan 8.180 nan 0.000 0.557 537 S N 0.568 116.447 115.700 0.299 0.000 3.387 537 S HA -0.297 4.173 4.470 -0.000 0.000 0.633 537 S C -0.945 173.738 174.600 0.138 0.000 2.641 537 S CA 0.840 59.171 58.200 0.219 0.000 2.931 537 S CB -1.221 62.111 63.200 0.221 0.000 0.327 537 S HN 0.888 nan 8.310 nan 0.000 1.716 538 F N 2.749 122.716 119.950 0.029 0.000 2.308 538 F HA 0.463 4.990 4.527 -0.000 0.000 0.370 538 F C 0.340 176.114 175.800 -0.042 0.000 1.100 538 F CA -0.729 57.293 58.000 0.037 0.000 1.108 538 F CB 0.502 39.559 39.000 0.096 0.000 1.293 538 F HN 0.484 nan 8.300 nan 0.000 0.478 539 N N 3.249 121.862 118.700 -0.146 0.000 2.434 539 N HA -0.046 4.694 4.740 -0.000 0.000 0.273 539 N C 1.108 176.557 175.510 -0.102 0.000 1.210 539 N CA 0.281 53.241 53.050 -0.150 0.000 0.992 539 N CB 0.986 39.329 38.487 -0.239 0.000 1.355 539 N HN 0.693 nan 8.380 nan 0.000 0.495 540 S N 1.376 117.137 115.700 0.103 0.000 2.481 540 S HA -0.087 4.383 4.470 -0.000 0.000 0.231 540 S C 0.143 174.670 174.600 -0.122 0.000 0.996 540 S CA 0.366 58.649 58.200 0.138 0.000 0.942 540 S CB -0.183 63.073 63.200 0.094 0.000 0.768 540 S HN 0.692 nan 8.310 nan 0.000 0.520 541 E N -1.182 118.851 120.200 -0.277 0.000 2.846 541 E HA 0.428 4.778 4.350 -0.000 0.000 0.363 541 E C -1.046 175.183 176.600 -0.619 0.000 0.933 541 E CA -0.578 55.525 56.400 -0.494 0.000 0.766 541 E CB 0.355 29.414 29.700 -1.068 0.000 1.404 541 E HN 0.006 nan 8.360 nan 0.000 0.408 542 T N 0.995 115.222 114.554 -0.544 0.000 3.047 542 T HA 0.673 5.022 4.350 -0.000 0.000 0.340 542 T C -1.559 172.809 174.700 -0.553 0.000 1.421 542 T CA 0.297 62.022 62.100 -0.625 0.000 1.090 542 T CB 1.716 70.399 68.868 -0.309 0.000 1.292 542 T HN 0.971 nan 8.240 nan 0.000 0.480 543 S N 1.896 117.326 115.700 -0.451 0.000 2.727 543 S HA 0.775 5.245 4.470 -0.000 0.000 0.278 543 S C 0.383 175.041 174.600 0.097 0.000 1.186 543 S CA -0.190 57.824 58.200 -0.309 0.000 0.836 543 S CB 1.025 63.753 63.200 -0.787 0.000 1.186 543 S HN 1.304 nan 8.310 nan 0.000 0.499 544 A N -0.281 122.686 122.820 0.244 0.000 2.415 544 A HA 0.719 5.039 4.320 -0.000 0.000 0.248 544 A C 1.462 179.243 177.584 0.329 0.000 1.299 544 A CA 0.767 52.947 52.037 0.239 0.000 0.899 544 A CB -1.465 17.671 19.000 0.226 0.000 0.997 544 A HN 2.447 nan 8.150 nan 0.000 0.506 545 G N -0.889 108.125 108.800 0.357 0.000 3.226 545 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.270 545 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.270 545 G C 0.213 175.261 174.900 0.246 0.000 1.592 545 G CA -0.159 45.196 45.100 0.425 0.000 1.055 545 G HN 0.817 nan 8.290 nan 0.000 0.582 546 V N 2.716 122.700 119.914 0.116 0.000 2.655 546 V HA 0.460 4.580 4.120 -0.000 0.000 0.300 546 V C -0.332 175.648 176.094 -0.190 0.000 1.044 546 V CA 0.891 63.075 62.300 -0.194 0.000 1.095 546 V CB 1.434 32.842 31.823 -0.691 0.000 0.952 546 V HN 0.565 nan 8.190 nan 0.000 0.485 547 D N 4.084 124.395 120.400 -0.149 0.000 2.429 547 D HA 0.251 4.891 4.640 -0.000 0.000 0.255 547 D C -0.387 175.865 176.300 -0.080 0.000 1.257 547 D CA -0.425 53.547 54.000 -0.047 0.000 0.890 547 D CB 1.010 41.846 40.800 0.060 0.000 1.267 547 D HN 0.212 nan 8.370 nan 0.000 0.521 548 I N 3.265 123.762 120.570 -0.121 0.000 2.742 548 I HA 0.036 4.206 4.170 -0.000 0.000 0.287 548 I C -1.589 174.523 176.117 -0.010 0.000 1.186 548 I CA -1.388 59.883 61.300 -0.048 0.000 1.417 548 I CB -0.503 37.497 38.000 0.000 0.000 1.377 548 I HN -0.006 nan 8.210 nan 0.000 0.556 549 P HA 0.081 nan 4.420 nan 0.000 0.282 549 P C -0.038 177.274 177.300 0.020 0.000 1.286 549 P CA -0.274 62.825 63.100 -0.003 0.000 0.777 549 P CB 0.035 31.722 31.700 -0.021 0.000 1.184 550 T N -3.043 111.526 114.554 0.025 0.000 2.856 550 T HA 0.071 4.421 4.350 -0.000 0.000 0.306 550 T C 1.363 176.085 174.700 0.035 0.000 1.062 550 T CA -0.375 61.744 62.100 0.032 0.000 1.083 550 T CB -0.024 68.861 68.868 0.028 0.000 0.984 550 T HN 0.208 nan 8.240 nan 0.000 0.542 551 M N 1.220 120.838 119.600 0.031 0.000 2.144 551 M HA -0.117 4.363 4.480 -0.000 0.000 0.260 551 M C 1.358 177.672 176.300 0.023 0.000 1.067 551 M CA 1.848 57.163 55.300 0.025 0.000 1.095 551 M CB -1.318 31.287 32.600 0.009 0.000 1.365 551 M HN 0.836 nan 8.290 nan 0.000 0.406 552 D N -1.418 118.994 120.400 0.020 0.000 2.117 552 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 552 D C 1.757 178.075 176.300 0.029 0.000 0.987 552 D CA 1.978 55.984 54.000 0.011 0.000 0.829 552 D CB -0.242 40.558 40.800 0.000 0.000 0.961 552 D HN 0.399 nan 8.370 nan 0.000 0.460 553 T N 0.320 114.916 114.554 0.070 0.000 2.812 553 T HA -0.014 4.336 4.350 -0.000 0.000 0.264 553 T C 2.032 176.794 174.700 0.102 0.000 1.042 553 T CA 0.322 62.514 62.100 0.153 0.000 1.140 553 T CB -0.256 68.725 68.868 0.187 0.000 0.870 553 T HN 0.091 nan 8.240 nan 0.000 0.445 554 L N 0.738 121.988 121.223 0.045 0.000 1.997 554 L HA -0.218 4.122 4.340 -0.000 0.000 0.216 554 L C 2.516 179.406 176.870 0.032 0.000 1.074 554 L CA 1.661 56.510 54.840 0.016 0.000 0.763 554 L CB -0.488 41.589 42.059 0.030 0.000 0.890 554 L HN 0.246 nan 8.230 nan 0.000 0.434 555 K N -0.612 119.818 120.400 0.050 0.000 2.439 555 K HA -0.075 4.245 4.320 -0.000 0.000 0.197 555 K C 2.018 178.682 176.600 0.106 0.000 1.041 555 K CA 0.543 56.871 56.287 0.069 0.000 0.970 555 K CB 0.054 32.576 32.500 0.037 0.000 0.773 555 K HN 0.314 nan 8.250 nan 0.000 0.479 556 R N 0.237 120.802 120.500 0.107 0.000 2.254 556 R HA 0.104 4.444 4.340 -0.000 0.000 0.195 556 R C 2.118 178.611 176.300 0.323 0.000 0.957 556 R CA 0.604 56.789 56.100 0.143 0.000 1.024 556 R CB 0.198 30.512 30.300 0.023 0.000 0.952 556 R HN 0.242 nan 8.270 nan 0.000 0.484 557 M N -2.406 117.308 119.600 0.190 0.000 2.449 557 M HA 0.374 4.854 4.480 -0.000 0.000 0.262 557 M C 0.180 176.255 176.300 -0.374 0.000 1.152 557 M CA 0.592 55.855 55.300 -0.060 0.000 1.104 557 M CB 0.914 33.325 32.600 -0.315 0.000 1.416 557 M HN -0.170 nan 8.290 nan 0.000 0.519 558 M N 1.293 120.760 119.600 -0.221 0.000 2.550 558 M HA 0.443 4.923 4.480 -0.000 0.000 0.292 558 M C -0.419 175.817 176.300 -0.106 0.000 1.221 558 M CA -0.736 54.368 55.300 -0.326 0.000 0.873 558 M CB 2.842 35.316 32.600 -0.210 0.000 1.727 558 M HN 0.270 nan 8.290 nan 0.000 0.459 559 S N 0.687 116.305 115.700 -0.136 0.000 2.645 559 S HA 0.582 5.052 4.470 -0.000 0.000 0.266 559 S C 1.013 175.643 174.600 0.050 0.000 1.258 559 S CA -0.164 58.080 58.200 0.072 0.000 0.990 559 S CB 1.222 64.468 63.200 0.076 0.000 0.967 559 S HN 0.790 nan 8.310 nan 0.000 0.556 560 A N 1.335 124.199 122.820 0.073 0.000 1.933 560 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 560 A C 2.461 180.073 177.584 0.046 0.000 1.175 560 A CA 2.022 54.096 52.037 0.061 0.000 0.628 560 A CB -1.649 17.387 19.000 0.060 0.000 0.814 560 A HN 1.274 nan 8.150 nan 0.000 0.444 561 S N -0.244 115.472 115.700 0.027 0.000 2.368 561 S HA -0.177 4.293 4.470 -0.000 0.000 0.224 561 S C 1.704 176.290 174.600 -0.024 0.000 1.029 561 S CA 1.381 59.582 58.200 0.001 0.000 0.988 561 S CB -0.460 62.738 63.200 -0.003 0.000 0.838 561 S HN 0.635 nan 8.310 nan 0.000 0.462 562 E N 1.253 121.436 120.200 -0.029 0.000 2.051 562 E HA -0.046 4.304 4.350 -0.000 0.000 0.192 562 E C 2.081 178.658 176.600 -0.038 0.000 0.991 562 E CA 1.494 57.866 56.400 -0.047 0.000 0.799 562 E CB -0.400 29.259 29.700 -0.068 0.000 0.748 562 E HN 0.504 nan 8.360 nan 0.000 0.449 563 L N 0.598 121.820 121.223 -0.003 0.000 2.083 563 L HA -0.198 4.142 4.340 -0.000 0.000 0.209 563 L C 2.148 179.081 176.870 0.105 0.000 1.083 563 L CA 1.116 55.984 54.840 0.046 0.000 0.752 563 L CB -0.191 41.913 42.059 0.074 0.000 0.899 563 L HN 0.113 nan 8.230 nan 0.000 0.433 564 D N -0.818 119.628 120.400 0.078 0.000 2.144 564 D HA -0.162 4.478 4.640 -0.000 0.000 0.200 564 D C 2.067 178.161 176.300 -0.343 0.000 0.978 564 D CA 1.335 55.343 54.000 0.013 0.000 0.833 564 D CB 0.196 41.014 40.800 0.029 0.000 0.961 564 D HN 0.104 nan 8.370 nan 0.000 0.470 565 T N -0.030 114.391 114.554 -0.222 0.000 2.867 565 T HA -0.112 4.238 4.350 -0.000 0.000 0.268 565 T C 1.851 176.389 174.700 -0.271 0.000 1.057 565 T CA 0.797 62.745 62.100 -0.253 0.000 1.136 565 T CB -0.210 68.570 68.868 -0.147 0.000 0.874 565 T HN 0.214 nan 8.240 nan 0.000 0.466 566 M N 0.807 120.284 119.600 -0.205 0.000 2.065 566 M HA -0.109 4.371 4.480 -0.000 0.000 0.259 566 M C 2.334 178.373 176.300 -0.435 0.000 1.069 566 M CA 1.904 57.072 55.300 -0.220 0.000 1.110 566 M CB -0.229 32.297 32.600 -0.123 0.000 1.328 566 M HN 0.595 nan 8.290 nan 0.000 0.405 567 W N 0.540 121.477 121.300 -0.604 0.000 2.523 567 W HA -0.011 4.648 4.660 -0.000 0.000 0.278 567 W C 1.427 177.725 176.519 -0.369 0.000 1.236 567 W CA 0.507 57.345 57.345 -0.845 0.000 1.306 567 W CB -0.931 28.139 29.460 -0.651 0.000 1.101 567 W HN 0.170 nan 8.180 nan 0.000 0.577 568 K N 0.728 120.439 120.400 -1.148 0.000 2.097 568 K HA -0.169 4.151 4.320 -0.000 0.000 0.205 568 K C 0.388 176.739 176.600 -0.415 0.000 1.050 568 K CA 1.265 56.992 56.287 -0.933 0.000 0.938 568 K CB -0.255 31.651 32.500 -0.991 0.000 0.718 568 K HN -0.058 nan 8.250 nan 0.000 0.442 569 N N -0.385 118.115 118.700 -0.333 0.000 2.725 569 N HA 0.172 4.912 4.740 -0.000 0.000 0.248 569 N C -2.570 172.873 175.510 -0.113 0.000 1.402 569 N CA -1.757 51.186 53.050 -0.178 0.000 0.766 569 N CB 1.264 39.654 38.487 -0.161 0.000 1.223 569 N HN -0.260 nan 8.380 nan 0.000 0.515 570 P HA -0.091 nan 4.420 nan 0.000 0.220 570 P C 0.817 178.145 177.300 0.047 0.000 1.144 570 P CA 1.119 64.248 63.100 0.048 0.000 0.800 570 P CB 0.368 32.178 31.700 0.183 0.000 0.772 571 S N -1.067 114.644 115.700 0.020 0.000 2.474 571 S HA 0.041 4.511 4.470 -0.000 0.000 0.235 571 S C 1.143 175.743 174.600 0.000 0.000 0.997 571 S CA 0.489 58.700 58.200 0.017 0.000 0.949 571 S CB -0.631 62.573 63.200 0.007 0.000 0.766 571 S HN 0.187 nan 8.310 nan 0.000 0.517 572 A N 1.901 124.709 122.820 -0.020 0.000 2.371 572 A HA 0.310 4.630 4.320 -0.000 0.000 0.257 572 A C 0.358 177.934 177.584 -0.012 0.000 1.089 572 A CA -0.411 51.611 52.037 -0.025 0.000 0.794 572 A CB 0.217 19.188 19.000 -0.050 0.000 1.029 572 A HN 0.270 nan 8.150 nan 0.000 0.488 573 K N 1.339 121.736 120.400 -0.005 0.000 2.524 573 K HA 0.037 4.357 4.320 -0.000 0.000 0.279 573 K C -0.398 176.210 176.600 0.013 0.000 0.993 573 K CA 0.579 56.870 56.287 0.007 0.000 1.030 573 K CB 0.196 32.708 32.500 0.019 0.000 0.891 573 K HN 0.612 nan 8.250 nan 0.000 0.488 574 Q N 2.443 122.252 119.800 0.015 0.000 2.310 574 Q HA 0.058 4.398 4.340 -0.000 0.000 0.270 574 Q C 0.135 176.183 176.000 0.080 0.000 1.025 574 Q CA -0.346 55.477 55.803 0.035 0.000 0.772 574 Q CB 1.288 30.021 28.738 -0.007 0.000 1.253 574 Q HN 0.607 nan 8.270 nan 0.000 0.450 575 Y N 2.938 123.235 120.300 -0.005 0.000 2.165 575 Y HA -0.203 4.347 4.550 -0.000 0.000 0.286 575 Y C 1.431 177.324 175.900 -0.011 0.000 1.155 575 Y CA 2.028 60.127 58.100 -0.002 0.000 1.164 575 Y CB 0.377 38.837 38.460 -0.001 0.000 0.978 575 Y HN 0.674 nan 8.280 nan 0.000 0.513 576 H N -0.454 118.568 119.070 -0.080 0.000 2.536 576 H HA 0.100 4.656 4.556 -0.000 0.000 0.276 576 H C 1.762 176.953 175.328 -0.228 0.000 1.019 576 H CA 0.249 56.120 56.048 -0.294 0.000 1.159 576 H CB 0.304 29.727 29.762 -0.565 0.000 1.373 576 H HN 0.379 nan 8.280 nan 0.000 0.584 577 R N 0.284 120.685 120.500 -0.164 0.000 1.852 577 R HA 0.099 4.439 4.340 -0.000 0.000 0.161 577 R C 0.197 176.203 176.300 -0.490 0.000 1.756 577 R CA 0.209 56.031 56.100 -0.463 0.000 1.480 577 R CB 0.461 30.487 30.300 -0.456 0.000 0.995 577 R HN 0.034 nan 8.270 nan 0.000 0.490 578 S N -1.384 114.103 115.700 -0.355 0.000 2.569 578 S HA 0.179 4.649 4.470 -0.000 0.000 0.280 578 S C 0.467 175.024 174.600 -0.071 0.000 1.111 578 S CA -0.355 57.732 58.200 -0.188 0.000 0.887 578 S CB 1.837 64.972 63.200 -0.110 0.000 1.095 578 S HN 0.510 nan 8.310 nan 0.000 0.476 579 S N 2.052 117.725 115.700 -0.045 0.000 2.447 579 S HA 0.011 4.481 4.470 -0.000 0.000 0.233 579 S C 1.015 175.640 174.600 0.042 0.000 1.006 579 S CA 0.664 58.862 58.200 -0.004 0.000 0.957 579 S CB -0.366 62.825 63.200 -0.016 0.000 0.773 579 S HN 0.655 nan 8.310 nan 0.000 0.507 580 S N 1.124 116.874 115.700 0.083 0.000 2.549 580 S HA 0.127 4.597 4.470 -0.000 0.000 0.279 580 S C 0.619 175.233 174.600 0.023 0.000 1.321 580 S CA -0.544 57.715 58.200 0.098 0.000 1.054 580 S CB 0.425 63.768 63.200 0.239 0.000 0.899 580 S HN 0.283 nan 8.310 nan 0.000 0.497 581 D N 3.256 123.647 120.400 -0.014 0.000 2.183 581 D HA -0.036 4.603 4.640 -0.000 0.000 0.203 581 D C 1.770 177.994 176.300 -0.126 0.000 0.969 581 D CA 1.224 55.199 54.000 -0.043 0.000 0.842 581 D CB -0.329 40.458 40.800 -0.022 0.000 0.957 581 D HN 0.639 nan 8.370 nan 0.000 0.484 582 T N 0.052 114.450 114.554 -0.260 0.000 2.821 582 T HA -0.101 4.249 4.350 -0.000 0.000 0.267 582 T C 0.825 175.102 174.700 -0.705 0.000 1.046 582 T CA 0.752 62.487 62.100 -0.607 0.000 1.139 582 T CB -0.101 68.190 68.868 -0.962 0.000 0.871 582 T HN 0.087 nan 8.240 nan 0.000 0.454 583 F N 0.550 120.472 119.950 -0.047 0.000 2.908 583 F HA 0.522 5.049 4.527 -0.000 0.000 0.328 583 F C 1.586 177.301 175.800 -0.142 0.000 1.211 583 F CA -1.339 56.615 58.000 -0.076 0.000 1.291 583 F CB -0.077 38.893 39.000 -0.050 0.000 0.962 583 F HN 0.069 nan 8.300 nan 0.000 0.505 584 G N 0.032 108.835 108.800 0.006 0.000 2.603 584 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.214 584 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.214 584 G C 0.497 175.385 174.900 -0.021 0.000 1.140 584 G CA 0.225 45.314 45.100 -0.017 0.000 0.800 584 G HN 0.435 nan 8.290 nan 0.000 0.533 585 N N -1.118 117.582 118.700 0.001 0.000 2.761 585 N HA 0.467 5.207 4.740 -0.000 0.000 0.283 585 N C -0.098 175.442 175.510 0.050 0.000 1.377 585 N CA -1.000 52.060 53.050 0.016 0.000 0.791 585 N CB 0.782 39.283 38.487 0.022 0.000 1.540 585 N HN -0.108 nan 8.380 nan 0.000 0.539 586 L N -0.675 120.597 121.223 0.083 0.000 3.017 586 L HA 0.385 4.725 4.340 -0.000 0.000 0.255 586 L C 1.827 178.834 176.870 0.229 0.000 1.247 586 L CA -0.369 54.573 54.840 0.170 0.000 1.038 586 L CB -0.202 41.982 42.059 0.209 0.000 1.380 586 L HN 0.686 nan 8.230 nan 0.000 0.548 587 K N 1.694 122.181 120.400 0.145 0.000 1.987 587 K HA -0.171 4.149 4.320 -0.000 0.000 0.216 587 K C 1.925 178.607 176.600 0.136 0.000 1.051 587 K CA 1.827 58.185 56.287 0.117 0.000 0.942 587 K CB -0.134 32.407 32.500 0.069 0.000 0.722 587 K HN 0.302 nan 8.250 nan 0.000 0.444 588 L N 0.160 121.459 121.223 0.127 0.000 2.127 588 L HA -0.179 4.161 4.340 -0.000 0.000 0.211 588 L C 2.511 179.492 176.870 0.184 0.000 1.089 588 L CA 1.232 56.145 54.840 0.123 0.000 0.757 588 L CB -0.480 41.590 42.059 0.018 0.000 0.899 588 L HN 0.287 nan 8.230 nan 0.000 0.434 589 F N 0.693 120.703 119.950 0.100 0.000 2.128 589 F HA -0.029 4.498 4.527 -0.000 0.000 0.295 589 F C 2.264 178.075 175.800 0.019 0.000 1.100 589 F CA 1.443 59.473 58.000 0.050 0.000 1.260 589 F CB -0.467 38.617 39.000 0.140 0.000 1.009 589 F HN -0.055 nan 8.300 nan 0.000 0.476 590 G N -0.215 108.720 108.800 0.225 0.000 2.408 590 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 590 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 590 G C 1.271 176.175 174.900 0.007 0.000 1.150 590 G CA 1.012 46.214 45.100 0.170 0.000 0.776 590 G HN 0.319 nan 8.290 nan 0.000 0.542 591 D N 1.207 121.606 120.400 -0.002 0.000 2.084 591 D HA -0.045 4.594 4.640 -0.000 0.000 0.194 591 D C 2.821 179.043 176.300 -0.129 0.000 0.990 591 D CA 1.376 55.348 54.000 -0.046 0.000 0.826 591 D CB -0.557 40.244 40.800 0.000 0.000 0.971 591 D HN 0.297 nan 8.370 nan 0.000 0.453 592 A N 0.457 123.176 122.820 -0.168 0.000 1.930 592 A HA -0.106 4.213 4.320 -0.000 0.000 0.217 592 A C 2.158 179.584 177.584 -0.263 0.000 1.175 592 A CA 0.786 52.692 52.037 -0.218 0.000 0.627 592 A CB -0.653 18.015 19.000 -0.554 0.000 0.815 592 A HN 0.186 nan 8.150 nan 0.000 0.443 593 L N -0.338 120.656 121.223 -0.383 0.000 2.017 593 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 593 L C 2.619 179.468 176.870 -0.035 0.000 1.073 593 L CA 2.665 57.352 54.840 -0.255 0.000 0.745 593 L CB -0.940 40.840 42.059 -0.465 0.000 0.894 593 L HN 0.374 nan 8.230 nan 0.000 0.432 594 T N -0.650 113.875 114.554 -0.048 0.000 2.684 594 T HA -0.223 4.127 4.350 -0.000 0.000 0.267 594 T C 1.907 176.578 174.700 -0.049 0.000 1.036 594 T CA 1.756 63.852 62.100 -0.007 0.000 1.148 594 T CB -0.133 68.731 68.868 -0.007 0.000 0.863 594 T HN 0.304 nan 8.240 nan 0.000 0.436 595 K N 0.256 120.569 120.400 -0.144 0.000 2.155 595 K HA 0.062 4.382 4.320 -0.000 0.000 0.203 595 K C 2.544 179.093 176.600 -0.084 0.000 1.052 595 K CA 0.823 56.975 56.287 -0.224 0.000 0.948 595 K CB 0.045 32.161 32.500 -0.640 0.000 0.728 595 K HN 0.248 nan 8.250 nan 0.000 0.448 596 R N -1.114 119.375 120.500 -0.018 0.000 2.123 596 R HA 0.045 4.385 4.340 -0.000 0.000 0.209 596 R C 1.424 177.607 176.300 -0.194 0.000 1.078 596 R CA 0.807 56.877 56.100 -0.050 0.000 1.028 596 R CB 0.089 30.381 30.300 -0.015 0.000 0.939 596 R HN 0.166 nan 8.270 nan 0.000 0.463 597 Y N 0.034 120.340 120.300 0.010 0.000 2.458 597 Y HA 0.310 4.860 4.550 -0.000 0.000 0.254 597 Y C 0.867 176.792 175.900 0.042 0.000 1.120 597 Y CA 0.429 58.548 58.100 0.032 0.000 1.282 597 Y CB 1.148 39.623 38.460 0.024 0.000 1.109 597 Y HN 0.207 nan 8.280 nan 0.000 0.526 598 G N 0.586 109.463 108.800 0.128 0.000 2.712 598 G HA2 0.128 4.087 3.960 -0.000 0.000 0.686 598 G HA3 0.128 4.087 3.960 -0.000 0.000 0.686 598 G C -0.367 174.596 174.900 0.106 0.000 1.181 598 G CA -1.020 44.137 45.100 0.095 0.000 0.762 598 G HN 0.485 nan 8.290 nan 0.000 0.641 599 A N 1.342 124.212 122.820 0.084 0.000 2.520 599 A HA 0.604 4.924 4.320 -0.000 0.000 0.235 599 A C 1.148 178.814 177.584 0.137 0.000 1.065 599 A CA 1.157 53.260 52.037 0.109 0.000 0.764 599 A CB 0.159 19.213 19.000 0.090 0.000 1.002 599 A HN 1.982 nan 8.150 nan 0.000 0.502 600 S N 0.672 116.495 115.700 0.205 0.000 2.545 600 S HA 0.432 4.902 4.470 -0.000 0.000 0.275 600 S C 1.203 175.886 174.600 0.138 0.000 1.299 600 S CA -0.007 58.304 58.200 0.184 0.000 1.048 600 S CB 1.572 64.970 63.200 0.329 0.000 0.938 600 S HN 1.085 nan 8.310 nan 0.000 0.496 601 A N 2.926 125.714 122.820 -0.052 0.000 2.147 601 A HA 0.277 4.597 4.320 -0.000 0.000 0.211 601 A C 0.587 177.967 177.584 -0.339 0.000 1.160 601 A CA 0.470 52.457 52.037 -0.084 0.000 0.781 601 A CB -0.407 18.541 19.000 -0.086 0.000 0.842 601 A HN 0.935 nan 8.150 nan 0.000 0.475 602 N N -4.057 114.141 118.700 -0.836 0.000 3.373 602 N HA 0.194 4.934 4.740 -0.000 0.000 0.275 602 N C -0.118 174.403 175.510 -1.648 0.000 1.489 602 N CA -0.321 51.839 53.050 -1.484 0.000 0.872 602 N CB 0.017 38.127 38.487 -0.629 0.000 1.555 602 N HN -0.078 nan 8.380 nan 0.000 0.500 603 L N 0.422 120.753 121.223 -1.488 0.000 1.989 603 L HA 0.018 4.358 4.340 -0.000 0.000 0.211 603 L C 1.349 178.029 176.870 -0.317 0.000 1.071 603 L CA 2.044 56.398 54.840 -0.810 0.000 0.749 603 L CB -1.200 40.670 42.059 -0.315 0.000 0.890 603 L HN 0.652 nan 8.230 nan 0.000 0.431 604 N N -0.039 118.489 118.700 -0.288 0.000 2.094 604 N HA -0.244 4.496 4.740 -0.000 0.000 0.191 604 N C 1.658 177.056 175.510 -0.185 0.000 1.023 604 N CA 1.730 54.667 53.050 -0.190 0.000 0.857 604 N CB -0.602 37.766 38.487 -0.198 0.000 1.013 604 N HN 0.494 nan 8.380 nan 0.000 0.426 605 D N -0.075 120.185 120.400 -0.234 0.000 2.117 605 D HA -0.113 4.527 4.640 -0.000 0.000 0.198 605 D C 1.814 178.074 176.300 -0.067 0.000 0.982 605 D CA 0.489 54.375 54.000 -0.190 0.000 0.828 605 D CB -0.305 40.383 40.800 -0.186 0.000 0.967 605 D HN 0.179 nan 8.370 nan 0.000 0.464 606 F N 0.622 120.475 119.950 -0.162 0.000 2.069 606 F HA -0.228 4.299 4.527 -0.000 0.000 0.298 606 F C 2.175 177.985 175.800 0.017 0.000 1.113 606 F CA 1.443 59.433 58.000 -0.016 0.000 1.214 606 F CB -0.497 38.549 39.000 0.076 0.000 0.978 606 F HN -0.118 nan 8.300 nan 0.000 0.474 607 V N 2.434 122.387 119.914 0.065 0.000 2.295 607 V HA -0.335 3.785 4.120 -0.000 0.000 0.246 607 V C 2.646 178.696 176.094 -0.073 0.000 1.049 607 V CA 2.393 64.691 62.300 -0.004 0.000 1.024 607 V CB -1.069 30.794 31.823 0.066 0.000 0.648 607 V HN 0.472 nan 8.190 nan 0.000 0.447 608 R N 0.837 121.291 120.500 -0.077 0.000 2.120 608 R HA -0.171 4.169 4.340 -0.000 0.000 0.234 608 R C 2.071 178.393 176.300 0.037 0.000 1.123 608 R CA 1.737 57.813 56.100 -0.040 0.000 0.975 608 R CB -0.402 29.775 30.300 -0.205 0.000 0.866 608 R HN 0.411 nan 8.270 nan 0.000 0.446 609 K N 0.505 120.855 120.400 -0.083 0.000 2.186 609 K HA 0.121 4.441 4.320 -0.000 0.000 0.202 609 K C 2.232 178.564 176.600 -0.448 0.000 1.052 609 K CA 0.892 57.011 56.287 -0.280 0.000 0.965 609 K CB 0.044 32.404 32.500 -0.234 0.000 0.746 609 K HN 0.254 nan 8.250 nan 0.000 0.457 610 A N 1.471 124.112 122.820 -0.299 0.000 1.877 610 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 610 A C 2.040 179.631 177.584 0.012 0.000 1.186 610 A CA 1.269 53.256 52.037 -0.084 0.000 0.620 610 A CB -0.358 18.582 19.000 -0.100 0.000 0.822 610 A HN 0.152 nan 8.150 nan 0.000 0.443 611 Q N 0.037 119.824 119.800 -0.022 0.000 2.112 611 Q HA -0.156 4.184 4.340 -0.000 0.000 0.206 611 Q C 2.176 178.198 176.000 0.036 0.000 0.987 611 Q CA 1.457 57.294 55.803 0.058 0.000 0.858 611 Q CB -0.699 28.095 28.738 0.094 0.000 0.905 611 Q HN 0.719 nan 8.270 nan 0.000 0.420 612 L N -0.102 120.993 121.223 -0.214 0.000 2.056 612 L HA -0.121 4.219 4.340 -0.000 0.000 0.207 612 L C 2.589 179.620 176.870 0.269 0.000 1.078 612 L CA 1.124 55.845 54.840 -0.199 0.000 0.749 612 L CB -0.567 41.113 42.059 -0.633 0.000 0.901 612 L HN 0.204 nan 8.230 nan 0.000 0.433 613 S N -0.394 115.312 115.700 0.011 0.000 2.359 613 S HA -0.253 4.217 4.470 -0.000 0.000 0.224 613 S C 1.936 176.791 174.600 0.425 0.000 1.035 613 S CA 1.603 59.971 58.200 0.281 0.000 1.018 613 S CB -0.023 63.228 63.200 0.086 0.000 0.876 613 S HN 0.434 nan 8.310 nan 0.000 0.448 614 Q N -1.083 118.935 119.800 0.362 0.000 2.079 614 Q HA -0.090 4.250 4.340 -0.000 0.000 0.200 614 Q C 1.903 178.110 176.000 0.346 0.000 0.974 614 Q CA 1.756 57.772 55.803 0.355 0.000 0.840 614 Q CB -0.371 28.530 28.738 0.271 0.000 0.898 614 Q HN 0.744 nan 8.270 nan 0.000 0.430 615 Y N 1.809 122.274 120.300 0.275 0.000 2.030 615 Y HA -0.352 4.198 4.550 -0.000 0.000 0.274 615 Y C 2.472 178.542 175.900 0.283 0.000 1.153 615 Y CA 2.179 60.468 58.100 0.315 0.000 1.115 615 Y CB -0.069 38.675 38.460 0.473 0.000 0.969 615 Y HN 0.146 nan 8.280 nan 0.000 0.488 616 E N -0.136 120.457 120.200 0.655 0.000 2.086 616 E HA -0.336 4.014 4.350 -0.000 0.000 0.200 616 E C 2.077 178.849 176.600 0.286 0.000 1.012 616 E CA 1.670 58.291 56.400 0.368 0.000 0.812 616 E CB -0.427 29.493 29.700 0.367 0.000 0.743 616 E HN 0.519 nan 8.360 nan 0.000 0.453 617 N N -0.039 118.860 118.700 0.330 0.000 2.135 617 N HA -0.113 4.627 4.740 -0.000 0.000 0.186 617 N C 2.027 177.666 175.510 0.216 0.000 1.027 617 N CA 1.226 54.468 53.050 0.321 0.000 0.849 617 N CB 0.049 38.769 38.487 0.389 0.000 1.002 617 N HN 0.074 nan 8.380 nan 0.000 0.425 618 V N 1.838 121.846 119.914 0.157 0.000 2.295 618 V HA -0.175 3.945 4.120 -0.000 0.000 0.246 618 V C 2.665 178.773 176.094 0.025 0.000 1.049 618 V CA 1.498 63.818 62.300 0.033 0.000 1.024 618 V CB -0.561 31.217 31.823 -0.075 0.000 0.648 618 V HN 0.333 nan 8.190 nan 0.000 0.447 619 R N 0.221 120.717 120.500 -0.007 0.000 2.096 619 R HA -0.222 4.117 4.340 -0.000 0.000 0.240 619 R C 2.273 178.668 176.300 0.158 0.000 1.139 619 R CA 1.926 58.031 56.100 0.009 0.000 0.952 619 R CB -0.457 29.809 30.300 -0.057 0.000 0.854 619 R HN 0.501 nan 8.270 nan 0.000 0.436 620 A N 0.591 123.546 122.820 0.225 0.000 1.930 620 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 620 A C 2.006 179.602 177.584 0.020 0.000 1.175 620 A CA 1.517 53.755 52.037 0.335 0.000 0.627 620 A CB -0.529 18.749 19.000 0.463 0.000 0.815 620 A HN 0.586 nan 8.150 nan 0.000 0.443 621 E N -1.055 118.911 120.200 -0.389 0.000 2.038 621 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 621 E C 1.672 177.929 176.600 -0.570 0.000 1.000 621 E CA 1.640 57.401 56.400 -1.065 0.000 0.803 621 E CB -0.240 28.586 29.700 -1.456 0.000 0.750 621 E HN 0.614 nan 8.360 nan 0.000 0.448 622 F N 1.095 120.851 119.950 -0.323 0.000 2.113 622 F HA -0.085 4.442 4.527 -0.000 0.000 0.297 622 F C 2.412 178.156 175.800 -0.094 0.000 1.103 622 F CA 1.360 59.221 58.000 -0.231 0.000 1.248 622 F CB -0.258 38.592 39.000 -0.252 0.000 0.999 622 F HN 0.048 nan 8.300 nan 0.000 0.475 623 E N 0.043 120.343 120.200 0.166 0.000 2.130 623 E HA -0.221 4.129 4.350 -0.000 0.000 0.196 623 E C 2.304 178.983 176.600 0.132 0.000 0.998 623 E CA 1.688 58.213 56.400 0.207 0.000 0.806 623 E CB -0.244 29.667 29.700 0.352 0.000 0.738 623 E HN 0.428 nan 8.360 nan 0.000 0.459 624 S N 0.283 115.909 115.700 -0.123 0.000 2.356 624 S HA -0.206 4.264 4.470 -0.000 0.000 0.223 624 S C 1.758 176.242 174.600 -0.192 0.000 1.032 624 S CA 1.361 59.264 58.200 -0.496 0.000 1.005 624 S CB -0.557 62.026 63.200 -1.028 0.000 0.867 624 S HN 0.329 nan 8.310 nan 0.000 0.449 625 H N 1.438 120.407 119.070 -0.168 0.000 2.389 625 H HA 0.178 4.734 4.556 -0.000 0.000 0.299 625 H C 2.504 177.828 175.328 -0.007 0.000 1.081 625 H CA 1.462 57.445 56.048 -0.109 0.000 1.345 625 H CB -0.355 29.275 29.762 -0.220 0.000 1.393 625 H HN 0.359 nan 8.280 nan 0.000 0.520 626 S N -0.240 115.542 115.700 0.136 0.000 2.382 626 S HA -0.138 4.332 4.470 -0.000 0.000 0.228 626 S C 2.093 176.804 174.600 0.184 0.000 1.027 626 S CA 1.006 59.288 58.200 0.138 0.000 0.991 626 S CB 0.003 63.279 63.200 0.126 0.000 0.823 626 S HN 0.378 nan 8.310 nan 0.000 0.469 627 R N 1.235 121.832 120.500 0.162 0.000 2.073 627 R HA 0.041 4.380 4.340 -0.000 0.000 0.229 627 R C 0.969 177.355 176.300 0.144 0.000 1.120 627 R CA 1.214 57.413 56.100 0.165 0.000 0.967 627 R CB -0.172 30.249 30.300 0.202 0.000 0.862 627 R HN 0.247 nan 8.270 nan 0.000 0.436 628 N N 0.038 118.807 118.700 0.114 0.000 2.461 628 N HA -0.115 4.625 4.740 -0.000 0.000 0.188 628 N C 0.911 176.504 175.510 0.139 0.000 1.134 628 N CA 0.273 53.379 53.050 0.093 0.000 0.878 628 N CB -0.206 38.304 38.487 0.040 0.000 0.972 628 N HN 0.287 nan 8.380 nan 0.000 0.456 629 Y N 2.016 122.342 120.300 0.044 0.000 2.165 629 Y HA -0.202 4.348 4.550 -0.000 0.000 0.286 629 Y C 1.743 177.678 175.900 0.059 0.000 1.155 629 Y CA 1.643 59.777 58.100 0.056 0.000 1.164 629 Y CB -0.641 37.856 38.460 0.062 0.000 0.978 629 Y HN 0.096 nan 8.280 nan 0.000 0.513 630 T N -2.011 112.476 114.554 -0.111 0.000 3.206 630 T HA 0.145 4.495 4.350 -0.000 0.000 0.253 630 T C -0.050 174.599 174.700 -0.086 0.000 1.042 630 T CA -0.223 61.758 62.100 -0.198 0.000 0.931 630 T CB -0.423 68.368 68.868 -0.127 0.000 1.029 630 T HN 0.023 nan 8.240 nan 0.000 0.564 631 D N 2.614 122.993 120.400 -0.034 0.000 2.443 631 D HA 0.133 4.773 4.640 -0.000 0.000 0.239 631 D C 1.415 177.697 176.300 -0.029 0.000 1.136 631 D CA 0.089 54.080 54.000 -0.015 0.000 0.879 631 D CB 1.440 42.247 40.800 0.011 0.000 1.195 631 D HN 0.363 nan 8.370 nan 0.000 0.443 632 S N 0.307 115.992 115.700 -0.026 0.000 2.428 632 S HA -0.052 4.418 4.470 -0.000 0.000 0.230 632 S C 0.838 175.427 174.600 -0.018 0.000 1.014 632 S CA 0.419 58.603 58.200 -0.026 0.000 0.957 632 S CB 0.027 63.213 63.200 -0.024 0.000 0.784 632 S HN 0.417 nan 8.310 nan 0.000 0.499 633 T N 3.183 117.726 114.554 -0.018 0.000 2.807 633 T HA 0.458 4.808 4.350 -0.000 0.000 0.279 633 T C -0.280 174.415 174.700 -0.009 0.000 0.993 633 T CA -0.714 61.374 62.100 -0.020 0.000 0.970 633 T CB 1.024 69.868 68.868 -0.040 0.000 0.950 633 T HN 0.239 nan 8.240 nan 0.000 0.441 634 N N 2.816 121.523 118.700 0.012 0.000 2.688 634 N HA -0.107 4.633 4.740 -0.000 0.000 0.258 634 N C -2.566 173.016 175.510 0.119 0.000 1.016 634 N CA 0.207 53.293 53.050 0.059 0.000 0.747 634 N CB -0.267 38.205 38.487 -0.025 0.000 0.895 634 N HN 0.428 nan 8.380 nan 0.000 0.543 635 P HA 0.084 nan 4.420 nan 0.000 0.274 635 P C -0.286 177.125 177.300 0.185 0.000 1.237 635 P CA -0.218 62.956 63.100 0.122 0.000 0.793 635 P CB 0.486 32.229 31.700 0.071 0.000 0.977 636 S N -0.251 115.549 115.700 0.167 0.000 2.510 636 S HA 0.203 4.673 4.470 -0.000 0.000 0.279 636 S C 1.050 175.796 174.600 0.243 0.000 1.284 636 S CA -0.078 58.211 58.200 0.149 0.000 1.059 636 S CB -0.491 62.735 63.200 0.044 0.000 0.901 636 S HN 0.651 nan 8.310 nan 0.000 0.491 637 T N -1.063 113.603 114.554 0.187 0.000 3.040 637 T HA 0.556 4.906 4.350 -0.000 0.000 0.266 637 T C 0.566 175.264 174.700 -0.004 0.000 1.005 637 T CA 0.056 62.309 62.100 0.256 0.000 0.906 637 T CB 0.081 69.173 68.868 0.374 0.000 1.082 637 T HN 1.246 nan 8.240 nan 0.000 0.531 638 G N 0.902 109.457 108.800 -0.408 0.000 2.498 638 G HA2 0.491 4.451 3.960 -0.000 0.000 0.301 638 G HA3 0.491 4.451 3.960 -0.000 0.000 0.301 638 G C -2.534 171.783 174.900 -0.972 0.000 1.577 638 G CA -0.836 43.573 45.100 -1.153 0.000 0.868 638 G HN 0.503 nan 8.290 nan 0.000 0.599 639 L N 2.418 123.181 121.223 -0.766 0.000 2.516 639 L HA 0.734 5.073 4.340 -0.000 0.000 0.267 639 L C -1.381 175.223 176.870 -0.443 0.000 0.957 639 L CA -0.835 53.583 54.840 -0.703 0.000 0.860 639 L CB 1.632 43.098 42.059 -0.988 0.000 1.265 639 L HN 0.450 nan 8.230 nan 0.000 0.403 640 I N 5.377 125.754 120.570 -0.321 0.000 2.359 640 I HA 0.191 4.361 4.170 -0.000 0.000 0.284 640 I C -0.531 175.509 176.117 -0.128 0.000 1.018 640 I CA -0.511 60.727 61.300 -0.103 0.000 1.173 640 I CB 0.926 38.951 38.000 0.042 0.000 1.326 640 I HN 0.669 nan 8.210 nan 0.000 0.462 641 Y N 6.397 126.569 120.300 -0.213 0.000 2.526 641 Y HA -0.006 4.544 4.550 -0.000 0.000 0.330 641 Y C -0.174 175.680 175.900 -0.077 0.000 1.156 641 Y CA 0.149 58.108 58.100 -0.237 0.000 1.419 641 Y CB 0.678 39.056 38.460 -0.136 0.000 1.250 641 Y HN 0.561 nan 8.280 nan 0.000 0.540 642 W N 10.680 131.396 121.300 -0.975 0.000 2.288 642 W HA 0.414 5.074 4.660 -0.000 0.000 0.325 642 W C -1.607 174.389 176.519 -0.872 0.000 1.019 642 W CA -0.724 56.116 57.345 -0.841 0.000 1.403 642 W CB 0.543 29.464 29.460 -0.899 0.000 1.226 642 W HN 0.612 nan 8.180 nan 0.000 0.391 643 M N 4.173 123.420 119.600 -0.589 0.000 2.658 643 M HA 0.151 4.631 4.480 -0.000 0.000 0.295 643 M C 0.859 177.047 176.300 -0.187 0.000 1.248 643 M CA -0.859 54.047 55.300 -0.657 0.000 0.843 643 M CB 2.250 34.113 32.600 -1.229 0.000 1.749 643 M HN 0.253 nan 8.290 nan 0.000 0.464 644 L N 2.018 123.116 121.223 -0.209 0.000 2.081 644 L HA -0.136 4.204 4.340 -0.000 0.000 0.212 644 L C 0.537 177.103 176.870 -0.508 0.000 1.080 644 L CA 1.914 56.641 54.840 -0.189 0.000 0.754 644 L CB -0.181 41.843 42.059 -0.058 0.000 0.893 644 L HN 0.922 nan 8.230 nan 0.000 0.433 645 N N -3.001 115.356 118.700 -0.571 0.000 3.308 645 N HA 0.203 4.942 4.740 -0.000 0.000 0.276 645 N C -1.366 173.851 175.510 -0.488 0.000 1.533 645 N CA -0.261 52.379 53.050 -0.683 0.000 0.878 645 N CB 1.115 39.019 38.487 -0.972 0.000 1.566 645 N HN -0.100 nan 8.380 nan 0.000 0.546 646 S N -1.210 114.270 115.700 -0.367 0.000 2.566 646 S HA 0.641 5.111 4.470 -0.000 0.000 0.298 646 S C -2.062 172.421 174.600 -0.195 0.000 1.083 646 S CA -1.674 56.385 58.200 -0.236 0.000 0.978 646 S CB 1.247 64.362 63.200 -0.141 0.000 1.073 646 S HN 0.424 nan 8.310 nan 0.000 0.491 647 P HA 0.085 nan 4.420 nan 0.000 0.226 647 P C -0.249 176.920 177.300 -0.218 0.000 1.153 647 P CA 0.913 63.825 63.100 -0.312 0.000 0.777 647 P CB 0.076 31.346 31.700 -0.717 0.000 0.794 648 W N -2.067 118.909 121.300 -0.541 0.000 2.894 648 W HA 0.336 4.996 4.660 -0.000 0.000 0.424 648 W C -1.303 174.684 176.519 -0.886 0.000 1.072 648 W CA -0.659 56.144 57.345 -0.903 0.000 1.194 648 W CB -0.661 28.382 29.460 -0.694 0.000 1.471 648 W HN -0.344 nan 8.180 nan 0.000 0.608 649 T N 1.414 115.127 114.554 -1.403 0.000 2.817 649 T HA 0.437 4.787 4.350 -0.000 0.000 0.295 649 T C -0.125 173.951 174.700 -1.041 0.000 0.958 649 T CA 0.278 61.736 62.100 -1.069 0.000 1.157 649 T CB 0.933 69.276 68.868 -0.875 0.000 0.898 649 T HN 0.770 nan 8.240 nan 0.000 0.536 650 S N 2.088 117.450 115.700 -0.563 0.000 2.627 650 S HA 0.566 5.036 4.470 -0.000 0.000 0.283 650 S C 0.298 174.782 174.600 -0.194 0.000 1.127 650 S CA -1.046 56.965 58.200 -0.316 0.000 0.863 650 S CB 1.235 64.390 63.200 -0.076 0.000 1.121 650 S HN 0.722 nan 8.310 nan 0.000 0.479 651 L N 2.359 123.501 121.223 -0.135 0.000 2.693 651 L HA 0.400 4.740 4.340 -0.000 0.000 0.235 651 L C 0.471 177.302 176.870 -0.065 0.000 1.127 651 L CA -0.103 54.666 54.840 -0.119 0.000 0.914 651 L CB -0.284 41.695 42.059 -0.134 0.000 1.193 651 L HN 0.808 nan 8.230 nan 0.000 0.502 652 H N -6.031 112.898 119.070 -0.236 0.000 2.990 652 H HA 0.223 4.779 4.556 -0.000 0.000 0.343 652 H C -1.126 174.112 175.328 -0.150 0.000 1.270 652 H CA -1.181 54.692 56.048 -0.292 0.000 1.118 652 H CB 0.805 30.209 29.762 -0.597 0.000 1.861 652 H HN -0.083 nan 8.280 nan 0.000 0.544 653 W N 1.654 122.774 121.300 -0.299 0.000 6.562 653 W HA -0.202 4.458 4.660 -0.000 0.000 0.418 653 W C -0.844 175.468 176.519 -0.345 0.000 1.645 653 W CA 1.187 58.255 57.345 -0.462 0.000 1.086 653 W CB -2.282 26.649 29.460 -0.882 0.000 2.865 653 W HN 0.925 nan 8.180 nan 0.000 1.517 654 Q N -2.180 117.664 119.800 0.073 0.000 2.511 654 Q HA 0.762 5.102 4.340 -0.000 0.000 0.289 654 Q C -0.231 175.768 176.000 -0.002 0.000 1.021 654 Q CA -1.087 54.682 55.803 -0.055 0.000 0.785 654 Q CB 1.394 30.048 28.738 -0.141 0.000 1.472 654 Q HN 0.144 nan 8.270 nan 0.000 0.411 655 L N -0.277 120.866 121.223 -0.133 0.000 2.519 655 L HA 0.368 4.708 4.340 -0.000 0.000 0.194 655 L C 0.375 177.356 176.870 0.184 0.000 1.072 655 L CA 0.071 54.874 54.840 -0.063 0.000 0.845 655 L CB 0.403 42.365 42.059 -0.160 0.000 1.138 655 L HN 0.672 nan 8.230 nan 0.000 0.487 656 F N 0.615 120.696 119.950 0.218 0.000 2.425 656 F HA 0.569 5.096 4.527 -0.000 0.000 0.331 656 F C -0.151 175.688 175.800 0.065 0.000 1.085 656 F CA -1.765 56.348 58.000 0.188 0.000 1.028 656 F CB 0.174 39.390 39.000 0.361 0.000 1.177 656 F HN -0.025 nan 8.300 nan 0.000 0.487 657 D N 1.805 122.318 120.400 0.187 0.000 2.423 657 D HA 0.394 5.034 4.640 -0.000 0.000 0.255 657 D C 1.123 177.446 176.300 0.039 0.000 1.174 657 D CA -0.390 53.619 54.000 0.014 0.000 1.008 657 D CB 0.890 41.672 40.800 -0.029 0.000 1.101 657 D HN 0.774 nan 8.370 nan 0.000 0.516 658 A N -0.432 122.267 122.820 -0.202 0.000 2.032 658 A HA -0.214 4.106 4.320 -0.000 0.000 0.221 658 A C 1.349 178.854 177.584 -0.133 0.000 1.165 658 A CA 1.252 53.135 52.037 -0.256 0.000 0.645 658 A CB -1.066 17.551 19.000 -0.639 0.000 0.807 658 A HN 0.610 nan 8.150 nan 0.000 0.453 659 Y N -1.688 118.686 120.300 0.123 0.000 2.457 659 Y HA 0.260 4.810 4.550 -0.000 0.000 0.263 659 Y C 1.091 177.040 175.900 0.081 0.000 1.164 659 Y CA 0.070 58.235 58.100 0.108 0.000 1.274 659 Y CB -0.046 38.463 38.460 0.082 0.000 1.097 659 Y HN 0.255 nan 8.280 nan 0.000 0.523 660 M N -1.109 118.630 119.600 0.232 0.000 2.976 660 M HA -0.233 4.247 4.480 -0.000 0.000 0.209 660 M C -0.663 175.776 176.300 0.232 0.000 0.579 660 M CA 0.526 55.948 55.300 0.203 0.000 0.783 660 M CB -1.823 30.746 32.600 -0.052 0.000 2.807 660 M HN 0.222 nan 8.290 nan 0.000 0.362 661 D N 1.884 122.387 120.400 0.172 0.000 2.358 661 D HA 0.469 5.109 4.640 -0.000 0.000 0.244 661 D C 0.047 176.298 176.300 -0.082 0.000 1.163 661 D CA 0.507 54.540 54.000 0.055 0.000 0.945 661 D CB 0.681 41.525 40.800 0.074 0.000 1.152 661 D HN 0.367 nan 8.370 nan 0.000 0.451 662 Q N 1.451 121.099 119.800 -0.252 0.000 2.310 662 Q HA 0.323 4.663 4.340 -0.000 0.000 0.270 662 Q C -0.248 175.431 176.000 -0.535 0.000 1.025 662 Q CA -0.924 54.527 55.803 -0.586 0.000 0.772 662 Q CB 1.684 29.823 28.738 -0.998 0.000 1.253 662 Q HN 0.446 nan 8.270 nan 0.000 0.450 663 N N 0.570 119.037 118.700 -0.387 0.000 3.124 663 N HA 0.334 5.074 4.740 -0.000 0.000 0.350 663 N C 0.927 176.370 175.510 -0.111 0.000 1.411 663 N CA -0.142 52.797 53.050 -0.185 0.000 0.729 663 N CB -0.398 38.076 38.487 -0.022 0.000 1.379 663 N HN 0.435 nan 8.380 nan 0.000 0.599 664 G N -0.410 108.497 108.800 0.177 0.000 2.421 664 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.216 664 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.216 664 G C 1.425 176.501 174.900 0.294 0.000 1.171 664 G CA 1.781 47.127 45.100 0.410 0.000 0.775 664 G HN 0.789 nan 8.290 nan 0.000 0.543 665 A N 0.071 122.977 122.820 0.143 0.000 1.883 665 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 665 A C 2.213 179.752 177.584 -0.074 0.000 1.186 665 A CA 1.802 53.858 52.037 0.033 0.000 0.624 665 A CB -0.828 18.186 19.000 0.023 0.000 0.822 665 A HN 0.476 nan 8.150 nan 0.000 0.444 666 Y N -0.863 119.327 120.300 -0.183 0.000 2.097 666 Y HA -0.304 4.246 4.550 -0.000 0.000 0.282 666 Y C 2.268 178.052 175.900 -0.193 0.000 1.152 666 Y CA 2.363 60.319 58.100 -0.240 0.000 1.136 666 Y CB -0.381 37.887 38.460 -0.320 0.000 0.975 666 Y HN 0.399 nan 8.280 nan 0.000 0.498 667 Y N -0.500 119.890 120.300 0.150 0.000 2.293 667 Y HA -0.007 4.542 4.550 -0.000 0.000 0.291 667 Y C 2.598 178.302 175.900 -0.327 0.000 1.137 667 Y CA 0.754 58.887 58.100 0.055 0.000 1.202 667 Y CB -1.275 37.347 38.460 0.269 0.000 0.990 667 Y HN 0.186 nan 8.280 nan 0.000 0.537 668 G N -0.413 108.130 108.800 -0.427 0.000 2.408 668 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.217 668 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.217 668 G C 1.924 176.509 174.900 -0.524 0.000 1.150 668 G CA 0.990 45.549 45.100 -0.902 0.000 0.776 668 G HN 0.459 nan 8.290 nan 0.000 0.542 669 A N 0.750 123.293 122.820 -0.461 0.000 1.872 669 A HA 0.062 4.382 4.320 -0.000 0.000 0.214 669 A C 2.193 179.390 177.584 -0.646 0.000 1.187 669 A CA 2.026 53.690 52.037 -0.621 0.000 0.614 669 A CB -0.450 18.130 19.000 -0.701 0.000 0.826 669 A HN 0.376 nan 8.150 nan 0.000 0.442 670 K N -0.152 119.930 120.400 -0.531 0.000 2.044 670 K HA -0.275 4.045 4.320 -0.000 0.000 0.210 670 K C 2.131 178.558 176.600 -0.289 0.000 1.049 670 K CA 2.068 58.123 56.287 -0.386 0.000 0.927 670 K CB -0.152 32.210 32.500 -0.230 0.000 0.713 670 K HN 0.244 nan 8.250 nan 0.000 0.443 671 K N 0.709 120.962 120.400 -0.245 0.000 2.032 671 K HA -0.093 4.227 4.320 -0.000 0.000 0.209 671 K C 1.735 178.139 176.600 -0.326 0.000 1.048 671 K CA 1.800 57.995 56.287 -0.152 0.000 0.927 671 K CB -0.581 31.875 32.500 -0.073 0.000 0.712 671 K HN 0.275 nan 8.250 nan 0.000 0.441 672 A N 0.344 122.912 122.820 -0.421 0.000 2.015 672 A HA -0.045 4.275 4.320 -0.000 0.000 0.219 672 A C 1.460 178.653 177.584 -0.652 0.000 1.163 672 A CA 1.428 53.152 52.037 -0.521 0.000 0.646 672 A CB -0.306 18.561 19.000 -0.223 0.000 0.806 672 A HN 0.402 nan 8.150 nan 0.000 0.448 673 N N 0.382 118.754 118.700 -0.546 0.000 2.235 673 N HA 0.067 4.807 4.740 -0.000 0.000 0.209 673 N C -0.533 174.802 175.510 -0.292 0.000 1.122 673 N CA -0.006 52.787 53.050 -0.428 0.000 0.845 673 N CB 0.269 38.443 38.487 -0.522 0.000 1.004 673 N HN 0.598 nan 8.380 nan 0.000 0.499 674 E N 1.489 121.517 120.200 -0.287 0.000 2.481 674 E HA -0.057 4.293 4.350 -0.000 0.000 0.263 674 E C -1.216 175.367 176.600 -0.029 0.000 0.992 674 E CA -1.146 55.200 56.400 -0.090 0.000 0.938 674 E CB 0.884 30.627 29.700 0.071 0.000 0.933 674 E HN 0.156 nan 8.360 nan 0.000 0.453 675 P HA -0.135 nan 4.420 nan 0.000 0.216 675 P C 0.041 177.367 177.300 0.042 0.000 1.153 675 P CA 1.038 64.139 63.100 0.002 0.000 0.848 675 P CB 0.326 32.022 31.700 -0.007 0.000 0.787 676 L N -0.286 120.978 121.223 0.068 0.000 2.377 676 L HA 0.499 4.839 4.340 -0.000 0.000 0.270 676 L C -1.206 175.746 176.870 0.136 0.000 0.991 676 L CA -1.087 53.803 54.840 0.084 0.000 0.851 676 L CB 0.572 42.661 42.059 0.049 0.000 1.218 676 L HN -0.063 nan 8.230 nan 0.000 0.420 677 H N 3.857 122.949 119.070 0.037 0.000 2.806 677 H HA 0.647 5.202 4.556 -0.000 0.000 0.367 677 H C -1.534 173.839 175.328 0.076 0.000 1.136 677 H CA -0.544 55.535 56.048 0.052 0.000 1.178 677 H CB 1.842 31.630 29.762 0.044 0.000 1.718 677 H HN 0.618 nan 8.280 nan 0.000 0.540 678 I N 4.474 124.682 120.570 -0.603 0.000 2.493 678 I HA 0.372 4.542 4.170 -0.000 0.000 0.298 678 I C -1.438 174.418 176.117 -0.434 0.000 0.998 678 I CA -0.497 60.599 61.300 -0.341 0.000 1.137 678 I CB 1.245 39.170 38.000 -0.125 0.000 1.310 678 I HN 0.856 nan 8.210 nan 0.000 0.445 679 Q N 5.935 125.708 119.800 -0.045 0.000 2.391 679 Q HA 0.294 4.634 4.340 -0.000 0.000 0.279 679 Q C -2.110 173.973 176.000 0.139 0.000 1.028 679 Q CA -0.914 55.019 55.803 0.217 0.000 0.836 679 Q CB 2.122 31.091 28.738 0.385 0.000 1.414 679 Q HN 0.654 nan 8.270 nan 0.000 0.397 680 Y N 1.151 121.344 120.300 -0.179 0.000 2.328 680 Y HA 0.465 5.015 4.550 -0.000 0.000 0.337 680 Y C -0.929 174.677 175.900 -0.491 0.000 1.008 680 Y CA -0.412 57.330 58.100 -0.596 0.000 1.129 680 Y CB 1.976 39.618 38.460 -1.363 0.000 1.185 680 Y HN 0.731 nan 8.280 nan 0.000 0.476 681 S N 5.748 120.920 115.700 -0.880 0.000 2.422 681 S HA 0.064 4.534 4.470 -0.000 0.000 0.283 681 S C 0.507 174.430 174.600 -1.129 0.000 1.163 681 S CA -0.348 57.333 58.200 -0.865 0.000 1.054 681 S CB 0.033 62.853 63.200 -0.634 0.000 0.967 681 S HN 0.873 nan 8.310 nan 0.000 0.499 682 H N 2.033 120.604 119.070 -0.831 0.000 2.489 682 H HA -0.114 4.442 4.556 -0.000 0.000 0.293 682 H C 1.885 176.985 175.328 -0.380 0.000 1.066 682 H CA 1.798 57.608 56.048 -0.397 0.000 1.305 682 H CB 0.211 29.944 29.762 -0.048 0.000 1.386 682 H HN 0.651 nan 8.280 nan 0.000 0.551 683 D N -0.019 120.099 120.400 -0.470 0.000 2.149 683 D HA -0.108 4.532 4.640 -0.000 0.000 0.206 683 D C 1.133 177.310 176.300 -0.205 0.000 0.967 683 D CA 1.141 55.007 54.000 -0.224 0.000 0.848 683 D CB -0.351 40.376 40.800 -0.122 0.000 0.998 683 D HN 0.508 nan 8.370 nan 0.000 0.474 684 N N -0.595 117.924 118.700 -0.300 0.000 2.170 684 N HA 0.098 4.838 4.740 -0.000 0.000 0.222 684 N C -0.056 175.279 175.510 -0.292 0.000 1.218 684 N CA -0.358 52.556 53.050 -0.227 0.000 0.889 684 N CB 0.078 38.469 38.487 -0.161 0.000 1.083 684 N HN 0.068 nan 8.380 nan 0.000 0.520 685 R N -0.530 119.668 120.500 -0.503 0.000 3.946 685 R HA -0.187 4.153 4.340 -0.000 0.000 0.329 685 R C -0.550 175.458 176.300 -0.487 0.000 1.209 685 R CA 0.981 56.684 56.100 -0.661 0.000 0.909 685 R CB -2.972 27.208 30.300 -0.199 0.000 1.355 685 R HN 0.580 nan 8.270 nan 0.000 0.539 686 S N -0.295 115.164 115.700 -0.402 0.000 2.560 686 S HA 0.359 4.829 4.470 -0.000 0.000 0.284 686 S C 0.544 174.993 174.600 -0.253 0.000 1.327 686 S CA -0.760 57.295 58.200 -0.242 0.000 1.055 686 S CB 1.976 65.080 63.200 -0.159 0.000 0.868 686 S HN 0.114 nan 8.310 nan 0.000 0.506 687 V N 4.021 123.870 119.914 -0.109 0.000 2.350 687 V HA 0.421 4.541 4.120 -0.000 0.000 0.276 687 V C -0.149 175.934 176.094 -0.018 0.000 1.028 687 V CA -0.501 61.774 62.300 -0.041 0.000 0.860 687 V CB 1.016 32.858 31.823 0.032 0.000 0.990 687 V HN 0.853 nan 8.190 nan 0.000 0.453 688 V N 5.712 125.624 119.914 -0.003 0.000 2.815 688 V HA 0.573 4.693 4.120 -0.000 0.000 0.314 688 V C -0.303 175.817 176.094 0.044 0.000 1.064 688 V CA -0.713 61.603 62.300 0.027 0.000 0.952 688 V CB 2.418 34.270 31.823 0.048 0.000 1.020 688 V HN 0.512 nan 8.190 nan 0.000 0.439 689 V N 4.840 124.784 119.914 0.049 0.000 2.448 689 V HA 0.525 4.645 4.120 -0.000 0.000 0.295 689 V C -0.535 175.612 176.094 0.088 0.000 1.025 689 V CA -0.450 61.882 62.300 0.053 0.000 0.859 689 V CB 1.722 33.565 31.823 0.034 0.000 0.988 689 V HN 0.568 nan 8.190 nan 0.000 0.431 690 I N 4.072 124.718 120.570 0.126 0.000 2.441 690 I HA 0.454 4.624 4.170 -0.000 0.000 0.295 690 I C -0.339 175.849 176.117 0.118 0.000 0.994 690 I CA -0.581 60.803 61.300 0.139 0.000 1.144 690 I CB 1.891 39.999 38.000 0.180 0.000 1.314 690 I HN 0.644 nan 8.210 nan 0.000 0.445 691 N N 5.223 123.980 118.700 0.095 0.000 2.518 691 N HA 0.216 4.956 4.740 -0.000 0.000 0.254 691 N C 0.437 175.985 175.510 0.063 0.000 0.979 691 N CA -0.332 52.760 53.050 0.070 0.000 0.930 691 N CB 1.288 39.808 38.487 0.055 0.000 1.152 691 N HN 0.325 nan 8.380 nan 0.000 0.505 692 Q N 0.663 120.488 119.800 0.043 0.000 2.331 692 Q HA 0.008 4.348 4.340 -0.000 0.000 0.203 692 Q C 0.478 176.484 176.000 0.009 0.000 0.944 692 Q CA 0.554 56.369 55.803 0.020 0.000 0.892 692 Q CB -0.521 28.210 28.738 -0.011 0.000 0.983 692 Q HN 0.819 nan 8.270 nan 0.000 0.482 693 T N -0.630 113.926 114.554 0.004 0.000 2.734 693 T HA 0.076 4.426 4.350 -0.000 0.000 0.314 693 T C 1.151 175.840 174.700 -0.018 0.000 1.057 693 T CA 0.197 62.287 62.100 -0.017 0.000 1.047 693 T CB 0.672 69.527 68.868 -0.021 0.000 0.991 693 T HN 0.171 nan 8.240 nan 0.000 0.540 694 S N 0.282 115.950 115.700 -0.052 0.000 2.671 694 S HA 0.172 4.642 4.470 -0.000 0.000 0.220 694 S C 0.161 174.727 174.600 -0.058 0.000 0.951 694 S CA -0.783 57.378 58.200 -0.065 0.000 0.932 694 S CB -0.611 62.502 63.200 -0.144 0.000 0.777 694 S HN 0.680 nan 8.310 nan 0.000 0.508 695 N N 1.544 120.221 118.700 -0.038 0.000 2.295 695 N HA 0.519 5.259 4.740 -0.000 0.000 0.293 695 N C -0.691 174.814 175.510 -0.008 0.000 1.040 695 N CA -0.353 52.680 53.050 -0.028 0.000 0.840 695 N CB 1.933 40.397 38.487 -0.038 0.000 1.468 695 N HN 0.276 nan 8.380 nan 0.000 0.478 696 A N 1.310 124.130 122.820 -0.001 0.000 2.561 696 A HA 0.287 4.607 4.320 -0.000 0.000 0.234 696 A C 0.077 177.664 177.584 0.005 0.000 1.055 696 A CA 0.238 52.279 52.037 0.008 0.000 0.756 696 A CB 0.146 19.151 19.000 0.008 0.000 0.986 696 A HN 0.397 nan 8.150 nan 0.000 0.505 697 V N 2.158 122.078 119.914 0.010 0.000 2.656 697 V HA 0.699 4.819 4.120 -0.000 0.000 0.307 697 V C 0.248 176.348 176.094 0.010 0.000 1.051 697 V CA 0.150 62.455 62.300 0.008 0.000 0.893 697 V CB 1.820 33.650 31.823 0.012 0.000 0.999 697 V HN 1.360 nan 8.190 nan 0.000 0.426 698 S N 1.603 117.307 115.700 0.006 0.000 2.697 698 S HA 0.812 5.282 4.470 -0.000 0.000 0.289 698 S C 0.606 175.209 174.600 0.005 0.000 1.149 698 S CA -0.023 58.180 58.200 0.006 0.000 0.850 698 S CB 1.695 64.897 63.200 0.004 0.000 1.151 698 S HN 2.425 nan 8.310 nan 0.000 0.491 699 G N 0.157 108.959 108.800 0.004 0.000 2.249 699 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.273 699 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.273 699 G C -0.224 174.677 174.900 0.003 0.000 1.036 699 G CA 0.596 45.697 45.100 0.002 0.000 0.824 699 G HN 0.825 nan 8.290 nan 0.000 0.504 700 L N 0.233 121.459 121.223 0.005 0.000 2.375 700 L HA 0.708 5.048 4.340 -0.000 0.000 0.271 700 L C 0.875 177.747 176.870 0.004 0.000 1.107 700 L CA -0.076 54.768 54.840 0.006 0.000 0.806 700 L CB 1.806 43.871 42.059 0.010 0.000 1.146 700 L HN 0.297 nan 8.230 nan 0.000 0.447 701 T N 0.788 115.343 114.554 0.003 0.000 2.824 701 T HA 0.724 5.074 4.350 -0.000 0.000 0.282 701 T C -0.620 174.080 174.700 -0.000 0.000 0.993 701 T CA -0.626 61.474 62.100 -0.000 0.000 0.967 701 T CB 1.541 70.406 68.868 -0.005 0.000 0.960 701 T HN 0.688 nan 8.240 nan 0.000 0.441 702 A N 3.769 126.590 122.820 0.001 0.000 2.260 702 A HA 0.663 4.982 4.320 -0.000 0.000 0.314 702 A C 0.308 177.890 177.584 -0.002 0.000 1.257 702 A CA -0.615 51.423 52.037 0.003 0.000 0.871 702 A CB 0.594 19.600 19.000 0.010 0.000 1.166 702 A HN 0.856 nan 8.150 nan 0.000 0.522 703 T N 2.133 116.684 114.554 -0.006 0.000 2.770 703 T HA 0.592 4.942 4.350 -0.000 0.000 0.283 703 T C -0.085 174.610 174.700 -0.009 0.000 0.988 703 T CA -0.089 61.998 62.100 -0.021 0.000 0.957 703 T CB 1.062 69.909 68.868 -0.035 0.000 0.930 703 T HN 0.871 nan 8.240 nan 0.000 0.443 704 T N 3.004 117.559 114.554 0.002 0.000 2.881 704 T HA 0.633 4.983 4.350 -0.000 0.000 0.291 704 T C -1.001 173.725 174.700 0.044 0.000 0.990 704 T CA -0.825 61.303 62.100 0.048 0.000 0.976 704 T CB 0.692 69.628 68.868 0.114 0.000 0.970 704 T HN 0.422 nan 8.240 nan 0.000 0.438 705 K N 3.625 124.025 120.400 -0.001 0.000 2.375 705 K HA 0.665 4.985 4.320 -0.000 0.000 0.249 705 K C -0.891 175.673 176.600 -0.059 0.000 0.942 705 K CA -0.904 55.319 56.287 -0.107 0.000 0.806 705 K CB 2.227 34.565 32.500 -0.269 0.000 1.227 705 K HN 0.544 nan 8.250 nan 0.000 0.430 706 L N 3.156 124.310 121.223 -0.116 0.000 2.325 706 L HA 0.531 4.870 4.340 -0.000 0.000 0.278 706 L C -1.123 175.606 176.870 -0.235 0.000 1.023 706 L CA -0.923 53.903 54.840 -0.023 0.000 0.811 706 L CB 0.828 42.900 42.059 0.023 0.000 1.249 706 L HN 0.581 nan 8.230 nan 0.000 0.431 707 Y N 0.613 121.037 120.300 0.207 0.000 2.477 707 Y HA 0.353 4.903 4.550 -0.000 0.000 0.347 707 Y C 0.138 176.160 175.900 0.203 0.000 0.981 707 Y CA -1.067 57.162 58.100 0.214 0.000 1.033 707 Y CB 1.693 40.363 38.460 0.350 0.000 1.245 707 Y HN 0.495 nan 8.280 nan 0.000 0.455 708 N N 1.410 120.285 118.700 0.291 0.000 2.424 708 N HA 0.221 4.961 4.740 -0.000 0.000 0.257 708 N C 0.925 176.551 175.510 0.192 0.000 1.250 708 N CA -0.314 52.861 53.050 0.208 0.000 0.946 708 N CB 0.798 39.357 38.487 0.121 0.000 1.175 708 N HN 0.708 nan 8.380 nan 0.000 0.477 709 L N 0.369 121.663 121.223 0.118 0.000 2.450 709 L HA -0.164 4.176 4.340 -0.000 0.000 0.224 709 L C 0.892 177.783 176.870 0.035 0.000 1.149 709 L CA 1.120 55.987 54.840 0.044 0.000 0.816 709 L CB -0.475 41.593 42.059 0.014 0.000 0.932 709 L HN 0.592 nan 8.230 nan 0.000 0.449 710 D N -1.393 119.046 120.400 0.065 0.000 2.349 710 D HA 0.038 4.677 4.640 -0.000 0.000 0.215 710 D C 1.476 177.819 176.300 0.072 0.000 1.016 710 D CA 0.890 54.922 54.000 0.053 0.000 0.870 710 D CB 0.327 41.157 40.800 0.051 0.000 0.917 710 D HN 0.210 nan 8.370 nan 0.000 0.524 711 G N -0.558 108.319 108.800 0.128 0.000 2.218 711 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.216 711 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.216 711 G C 0.372 175.485 174.900 0.356 0.000 0.994 711 G CA 0.043 45.262 45.100 0.198 0.000 0.637 711 G HN 0.395 nan 8.290 nan 0.000 0.505 712 T N 1.801 116.502 114.554 0.246 0.000 2.829 712 T HA 0.366 4.716 4.350 -0.000 0.000 0.293 712 T C 0.395 175.221 174.700 0.210 0.000 0.970 712 T CA 0.632 62.849 62.100 0.194 0.000 1.168 712 T CB 1.411 70.341 68.868 0.104 0.000 0.911 712 T HN 0.500 nan 8.240 nan 0.000 0.535 713 E N 2.555 122.830 120.200 0.125 0.000 2.344 713 E HA 0.055 4.405 4.350 -0.000 0.000 0.270 713 E C 0.497 177.012 176.600 -0.141 0.000 1.021 713 E CA -0.506 55.773 56.400 -0.201 0.000 0.887 713 E CB 0.414 29.966 29.700 -0.246 0.000 0.997 713 E HN 0.350 nan 8.360 nan 0.000 0.429 714 K N 3.301 123.596 120.400 -0.175 0.000 2.399 714 K HA 0.079 4.399 4.320 -0.000 0.000 0.196 714 K C -0.675 175.915 176.600 -0.017 0.000 1.103 714 K CA 0.125 56.364 56.287 -0.079 0.000 0.986 714 K CB 0.614 33.067 32.500 -0.079 0.000 0.952 714 K HN 0.556 nan 8.250 nan 0.000 0.541 715 Y N -0.473 119.696 120.300 -0.219 0.000 2.519 715 Y HA 0.428 4.978 4.550 -0.000 0.000 0.336 715 Y C -1.532 174.249 175.900 -0.199 0.000 1.089 715 Y CA -0.811 57.185 58.100 -0.173 0.000 1.025 715 Y CB 2.036 40.413 38.460 -0.139 0.000 1.318 715 Y HN -0.173 nan 8.280 nan 0.000 0.452 716 S N 4.153 119.353 115.700 -0.834 0.000 2.540 716 S HA 0.639 5.109 4.470 -0.000 0.000 0.275 716 S C -2.055 172.066 174.600 -0.799 0.000 1.123 716 S CA -0.591 57.230 58.200 -0.632 0.000 0.907 716 S CB 1.210 64.195 63.200 -0.358 0.000 1.081 716 S HN 0.782 nan 8.310 nan 0.000 0.476 717 N N 1.114 119.550 118.700 -0.440 0.000 2.371 717 N HA 0.572 5.312 4.740 -0.000 0.000 0.280 717 N C -1.896 173.543 175.510 -0.118 0.000 1.084 717 N CA -0.254 52.643 53.050 -0.256 0.000 0.892 717 N CB 2.155 40.587 38.487 -0.093 0.000 1.653 717 N HN 0.433 nan 8.380 nan 0.000 0.480 718 T N 1.884 116.385 114.554 -0.089 0.000 2.879 718 T HA 0.456 4.806 4.350 -0.000 0.000 0.290 718 T C -1.187 173.493 174.700 -0.033 0.000 0.993 718 T CA -0.464 61.604 62.100 -0.054 0.000 0.975 718 T CB 1.173 70.006 68.868 -0.059 0.000 0.981 718 T HN 0.410 nan 8.240 nan 0.000 0.439 719 K N 2.806 123.196 120.400 -0.017 0.000 2.502 719 K HA 0.598 4.918 4.320 -0.000 0.000 0.254 719 K C -0.216 176.380 176.600 -0.006 0.000 0.947 719 K CA -0.489 55.793 56.287 -0.008 0.000 0.834 719 K CB 0.890 33.392 32.500 0.003 0.000 1.112 719 K HN 0.725 nan 8.250 nan 0.000 0.427 720 T N 0.053 114.603 114.554 -0.007 0.000 2.952 720 T HA 0.633 4.983 4.350 -0.000 0.000 0.286 720 T C 0.774 175.473 174.700 -0.002 0.000 1.024 720 T CA -0.186 61.910 62.100 -0.005 0.000 1.029 720 T CB 1.489 70.353 68.868 -0.008 0.000 1.094 720 T HN 1.072 nan 8.240 nan 0.000 0.515 721 G N 0.590 109.389 108.800 -0.001 0.000 2.176 721 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.252 721 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.252 721 G C -0.036 174.866 174.900 0.003 0.000 1.024 721 G CA 0.060 45.160 45.100 0.000 0.000 0.755 721 G HN 0.893 nan 8.290 nan 0.000 0.507 722 L N 1.538 122.764 121.223 0.005 0.000 2.410 722 L HA 0.450 4.790 4.340 -0.000 0.000 0.273 722 L C 1.008 177.884 176.870 0.010 0.000 1.144 722 L CA 0.493 55.338 54.840 0.008 0.000 0.863 722 L CB 0.937 43.002 42.059 0.010 0.000 1.140 722 L HN 0.485 nan 8.230 nan 0.000 0.463 723 S N 3.338 119.045 115.700 0.011 0.000 2.542 723 S HA 0.746 5.216 4.470 -0.000 0.000 0.293 723 S C -0.738 173.872 174.600 0.018 0.000 1.089 723 S CA -0.831 57.377 58.200 0.013 0.000 0.961 723 S CB 2.375 65.581 63.200 0.010 0.000 1.062 723 S HN 0.394 nan 8.310 nan 0.000 0.483 724 V N 1.797 121.724 119.914 0.022 0.000 2.733 724 V HA 0.813 4.933 4.120 -0.000 0.000 0.306 724 V C 0.461 176.573 176.094 0.031 0.000 1.084 724 V CA 0.079 62.397 62.300 0.030 0.000 0.905 724 V CB 1.384 33.231 31.823 0.039 0.000 1.010 724 V HN 1.337 nan 8.190 nan 0.000 0.424 725 G N 4.007 112.828 108.800 0.034 0.000 2.683 725 G HA2 0.582 4.542 3.960 -0.000 0.000 0.260 725 G HA3 0.582 4.542 3.960 -0.000 0.000 0.260 725 G C 0.267 175.195 174.900 0.046 0.000 1.238 725 G CA -0.026 45.096 45.100 0.036 0.000 0.934 725 G HN 1.658 nan 8.290 nan 0.000 0.534 726 A N -1.360 121.488 122.820 0.047 0.000 2.271 726 A HA 0.601 4.921 4.320 -0.000 0.000 0.288 726 A C 0.936 178.571 177.584 0.084 0.000 1.094 726 A CA -0.432 51.634 52.037 0.049 0.000 0.828 726 A CB 0.164 19.183 19.000 0.031 0.000 1.091 726 A HN 1.443 nan 8.150 nan 0.000 0.493 727 L N -0.367 120.903 121.223 0.078 0.000 3.634 727 L HA -0.303 4.037 4.340 -0.000 0.000 0.423 727 L C 1.126 178.105 176.870 0.182 0.000 1.253 727 L CA 0.731 55.636 54.840 0.109 0.000 0.885 727 L CB -2.036 40.100 42.059 0.128 0.000 1.789 727 L HN 1.912 nan 8.230 nan 0.000 0.904 728 G N -2.160 106.736 108.800 0.160 0.000 2.184 728 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.206 728 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.206 728 G C 0.420 175.489 174.900 0.281 0.000 0.995 728 G CA 0.002 45.239 45.100 0.228 0.000 0.651 728 G HN 1.234 nan 8.290 nan 0.000 0.511 729 A N 0.196 123.126 122.820 0.185 0.000 2.386 729 A HA 0.655 4.974 4.320 -0.000 0.000 0.246 729 A C 0.700 178.350 177.584 0.110 0.000 1.089 729 A CA 1.148 53.258 52.037 0.121 0.000 0.790 729 A CB 0.328 19.374 19.000 0.076 0.000 1.042 729 A HN 1.278 nan 8.150 nan 0.000 0.497 730 K N -0.642 119.809 120.400 0.085 0.000 2.349 730 K HA 0.862 5.181 4.320 -0.000 0.000 0.243 730 K C -0.887 175.745 176.600 0.053 0.000 1.058 730 K CA -0.498 55.837 56.287 0.079 0.000 0.871 730 K CB 2.134 34.688 32.500 0.089 0.000 1.337 730 K HN 1.146 nan 8.250 nan 0.000 0.469 731 A N 0.596 123.444 122.820 0.047 0.000 2.547 731 A HA 0.472 4.792 4.320 -0.000 0.000 0.297 731 A C -1.165 176.434 177.584 0.025 0.000 1.056 731 A CA -0.783 51.272 52.037 0.031 0.000 0.688 731 A CB 1.816 20.831 19.000 0.026 0.000 1.282 731 A HN 0.589 nan 8.150 nan 0.000 0.400 732 T N 2.066 116.629 114.554 0.015 0.000 2.794 732 T HA 0.463 4.813 4.350 -0.000 0.000 0.296 732 T C 1.356 176.060 174.700 0.007 0.000 0.949 732 T CA 0.482 62.585 62.100 0.005 0.000 1.101 732 T CB 1.408 70.273 68.868 -0.005 0.000 0.905 732 T HN 1.044 nan 8.240 nan 0.000 0.516 733 A N 3.682 126.507 122.820 0.009 0.000 1.956 733 A HA 0.556 4.876 4.320 -0.000 0.000 0.212 733 A C 0.767 178.362 177.584 0.019 0.000 1.188 733 A CA 0.298 52.343 52.037 0.014 0.000 0.675 733 A CB 0.390 19.401 19.000 0.018 0.000 0.845 733 A HN 0.640 nan 8.150 nan 0.000 0.455 734 V N -1.569 118.356 119.914 0.018 0.000 3.155 734 V HA 0.371 4.491 4.120 -0.000 0.000 0.272 734 V C -1.597 174.497 176.094 -0.000 0.000 1.639 734 V CA -0.497 61.820 62.300 0.027 0.000 1.006 734 V CB 1.898 33.767 31.823 0.076 0.000 1.244 734 V HN 0.154 nan 8.190 nan 0.000 0.458 735 T N 4.101 118.645 114.554 -0.015 0.000 2.733 735 T HA 0.450 4.800 4.350 -0.000 0.000 0.294 735 T C -0.264 174.393 174.700 -0.073 0.000 0.956 735 T CA -0.211 61.853 62.100 -0.059 0.000 0.987 735 T CB 1.115 69.942 68.868 -0.069 0.000 0.920 735 T HN 0.668 nan 8.240 nan 0.000 0.470 736 V N 8.176 128.022 119.914 -0.113 0.000 2.458 736 V HA 0.108 4.228 4.120 -0.000 0.000 0.287 736 V C -1.286 174.656 176.094 -0.254 0.000 1.009 736 V CA -1.190 60.943 62.300 -0.278 0.000 1.091 736 V CB -0.586 31.103 31.823 -0.222 0.000 0.960 736 V HN 0.722 nan 8.190 nan 0.000 0.476 737 P HA 0.259 nan 4.420 nan 0.000 0.274 737 P C -0.361 176.824 177.300 -0.192 0.000 1.256 737 P CA -0.446 62.549 63.100 -0.175 0.000 0.795 737 P CB 0.807 32.445 31.700 -0.103 0.000 1.038 738 A N 0.943 123.693 122.820 -0.117 0.000 2.520 738 A HA 0.353 4.673 4.320 -0.000 0.000 0.245 738 A C 0.056 177.570 177.584 -0.117 0.000 1.072 738 A CA -0.055 51.919 52.037 -0.105 0.000 0.761 738 A CB -0.540 18.420 19.000 -0.066 0.000 1.004 738 A HN 0.330 nan 8.150 nan 0.000 0.499 739 V N 2.870 122.694 119.914 -0.149 0.000 2.555 739 V HA 0.373 4.493 4.120 -0.000 0.000 0.302 739 V C 0.415 176.434 176.094 -0.124 0.000 1.038 739 V CA -0.595 61.625 62.300 -0.132 0.000 0.887 739 V CB 1.866 33.588 31.823 -0.168 0.000 0.991 739 V HN 0.910 nan 8.190 nan 0.000 0.434 740 S N 2.520 118.172 115.700 -0.080 0.000 2.565 740 S HA 0.561 5.031 4.470 -0.000 0.000 0.274 740 S C 1.100 175.657 174.600 -0.071 0.000 1.309 740 S CA 0.511 58.671 58.200 -0.067 0.000 1.043 740 S CB 1.148 64.324 63.200 -0.040 0.000 0.939 740 S HN 1.654 nan 8.310 nan 0.000 0.504 741 G N 1.626 110.387 108.800 -0.065 0.000 2.157 741 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.248 741 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.248 741 G C -0.045 174.815 174.900 -0.066 0.000 0.979 741 G CA -0.381 44.689 45.100 -0.050 0.000 0.650 741 G HN 0.588 nan 8.290 nan 0.000 0.529 742 L N 2.250 123.395 121.223 -0.129 0.000 2.499 742 L HA 0.365 4.705 4.340 -0.000 0.000 0.273 742 L C 1.622 178.457 176.870 -0.058 0.000 1.195 742 L CA 0.242 54.972 54.840 -0.183 0.000 0.882 742 L CB 0.688 42.455 42.059 -0.487 0.000 1.133 742 L HN 0.498 nan 8.230 nan 0.000 0.483 743 S N 1.041 116.752 115.700 0.018 0.000 2.566 743 S HA -0.019 4.451 4.470 -0.000 0.000 0.280 743 S C 1.237 175.919 174.600 0.136 0.000 1.343 743 S CA -0.284 57.961 58.200 0.075 0.000 1.036 743 S CB 0.883 64.140 63.200 0.096 0.000 0.866 743 S HN 0.696 nan 8.310 nan 0.000 0.526 744 T N 1.905 116.523 114.554 0.107 0.000 2.665 744 T HA -0.085 4.265 4.350 -0.000 0.000 0.268 744 T C 0.812 175.609 174.700 0.161 0.000 1.035 744 T CA 1.858 64.029 62.100 0.119 0.000 1.151 744 T CB -0.599 68.311 68.868 0.071 0.000 0.862 744 T HN 0.799 nan 8.240 nan 0.000 0.438 745 T N 2.456 117.081 114.554 0.118 0.000 2.744 745 T HA 0.554 4.904 4.350 -0.000 0.000 0.291 745 T C -0.725 174.064 174.700 0.149 0.000 0.957 745 T CA -0.718 61.427 62.100 0.074 0.000 1.002 745 T CB 0.394 69.264 68.868 0.004 0.000 0.919 745 T HN 0.459 nan 8.240 nan 0.000 0.468 746 Y N 1.284 121.595 120.300 0.020 0.000 2.669 746 Y HA 0.835 5.385 4.550 -0.000 0.000 0.335 746 Y C -1.658 174.280 175.900 0.063 0.000 1.116 746 Y CA -1.845 56.277 58.100 0.037 0.000 1.081 746 Y CB 1.106 39.589 38.460 0.038 0.000 1.297 746 Y HN 0.377 nan 8.280 nan 0.000 0.484 747 L N 2.067 123.453 121.223 0.270 0.000 2.334 747 L HA 0.903 5.243 4.340 -0.000 0.000 0.273 747 L C -0.523 176.542 176.870 0.325 0.000 1.013 747 L CA -1.324 53.660 54.840 0.240 0.000 0.816 747 L CB 2.026 44.294 42.059 0.348 0.000 1.278 747 L HN 0.915 nan 8.230 nan 0.000 0.431 748 A N 2.596 125.535 122.820 0.199 0.000 2.343 748 A HA 0.610 4.930 4.320 -0.000 0.000 0.316 748 A C -0.881 176.839 177.584 0.227 0.000 1.104 748 A CA -0.601 51.509 52.037 0.122 0.000 0.768 748 A CB 1.332 20.200 19.000 -0.221 0.000 1.213 748 A HN 0.652 nan 8.150 nan 0.000 0.456 749 K N 2.969 123.458 120.400 0.148 0.000 2.483 749 K HA 0.302 4.622 4.320 -0.000 0.000 0.256 749 K C -1.125 175.503 176.600 0.048 0.000 0.961 749 K CA -0.242 56.080 56.287 0.059 0.000 0.873 749 K CB 0.587 32.909 32.500 -0.297 0.000 1.107 749 K HN 0.891 nan 8.250 nan 0.000 0.432 750 N N 2.640 121.410 118.700 0.116 0.000 2.421 750 N HA 0.341 5.081 4.740 -0.000 0.000 0.285 750 N C -1.378 174.165 175.510 0.055 0.000 1.027 750 N CA -0.770 52.333 53.050 0.089 0.000 0.918 750 N CB 2.153 40.724 38.487 0.140 0.000 1.152 750 N HN 0.082 nan 8.380 nan 0.000 0.485 751 V N 3.006 122.933 119.914 0.021 0.000 2.569 751 V HA 0.321 4.441 4.120 -0.000 0.000 0.301 751 V C -0.758 175.340 176.094 0.007 0.000 1.044 751 V CA -0.713 61.595 62.300 0.014 0.000 0.874 751 V CB 1.790 33.614 31.823 0.000 0.000 1.002 751 V HN 0.468 nan 8.190 nan 0.000 0.424 752 L N 5.483 126.710 121.223 0.007 0.000 2.317 752 L HA 0.946 5.286 4.340 -0.000 0.000 0.281 752 L C 0.206 177.082 176.870 0.010 0.000 1.024 752 L CA 0.472 55.315 54.840 0.005 0.000 0.810 752 L CB 2.117 44.175 42.059 -0.002 0.000 1.240 752 L HN 0.887 nan 8.230 nan 0.000 0.427 753 T N 0.046 114.605 114.554 0.008 0.000 2.900 753 T HA 0.654 5.004 4.350 -0.000 0.000 0.295 753 T C -0.679 174.026 174.700 0.008 0.000 1.044 753 T CA -0.879 61.227 62.100 0.009 0.000 0.995 753 T CB 1.480 70.352 68.868 0.006 0.000 1.072 753 T HN 0.637 nan 8.240 nan 0.000 0.473 754 D N 0.778 121.184 120.400 0.009 0.000 2.433 754 D HA 0.257 4.897 4.640 -0.000 0.000 0.255 754 D C 1.702 178.004 176.300 0.004 0.000 1.226 754 D CA -0.224 53.780 54.000 0.007 0.000 1.015 754 D CB 0.264 41.069 40.800 0.007 0.000 1.091 754 D HN 0.523 nan 8.370 nan 0.000 0.527 755 S N -0.774 114.928 115.700 0.003 0.000 2.402 755 S HA -0.274 4.195 4.470 -0.000 0.000 0.233 755 S C 1.851 176.452 174.600 0.001 0.000 1.030 755 S CA 1.379 59.580 58.200 0.001 0.000 1.003 755 S CB -0.967 62.233 63.200 0.000 0.000 0.813 755 S HN 0.588 nan 8.310 nan 0.000 0.477 756 S N 0.993 116.694 115.700 0.002 0.000 2.547 756 S HA 0.254 4.724 4.470 -0.000 0.000 0.235 756 S C 1.568 176.170 174.600 0.003 0.000 0.980 756 S CA 1.010 59.211 58.200 0.002 0.000 0.941 756 S CB -1.133 62.068 63.200 0.002 0.000 0.763 756 S HN 1.618 nan 8.310 nan 0.000 0.532 757 G N 1.184 109.986 108.800 0.003 0.000 2.159 757 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.256 757 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.256 757 G C -0.106 174.798 174.900 0.007 0.000 0.977 757 G CA 0.468 45.571 45.100 0.004 0.000 0.652 757 G HN 0.950 nan 8.290 nan 0.000 0.531 758 K N 0.466 120.871 120.400 0.008 0.000 2.143 758 K HA 0.601 4.921 4.320 -0.000 0.000 0.272 758 K C 0.055 176.664 176.600 0.015 0.000 1.001 758 K CA -0.638 55.656 56.287 0.012 0.000 0.915 758 K CB 1.409 33.916 32.500 0.011 0.000 1.047 758 K HN 0.175 nan 8.250 nan 0.000 0.458 759 E N 3.456 123.668 120.200 0.019 0.000 2.166 759 E HA 0.006 4.356 4.350 -0.000 0.000 0.279 759 E C 0.536 177.153 176.600 0.028 0.000 1.095 759 E CA -0.548 55.866 56.400 0.023 0.000 0.888 759 E CB 0.783 30.499 29.700 0.028 0.000 1.041 759 E HN 0.637 nan 8.360 nan 0.000 0.414 760 V N 1.215 121.146 119.914 0.028 0.000 3.125 760 V HA 0.204 4.324 4.120 -0.000 0.000 0.249 760 V C 0.643 176.766 176.094 0.049 0.000 1.113 760 V CA 0.280 62.600 62.300 0.034 0.000 1.106 760 V CB 0.673 32.514 31.823 0.030 0.000 0.768 760 V HN 0.383 nan 8.190 nan 0.000 0.468 761 S N 0.395 116.122 115.700 0.045 0.000 2.603 761 S HA 0.630 5.100 4.470 -0.000 0.000 0.274 761 S C -0.909 173.719 174.600 0.046 0.000 1.168 761 S CA -0.745 57.489 58.200 0.056 0.000 0.963 761 S CB 1.838 65.055 63.200 0.028 0.000 1.078 761 S HN 0.665 nan 8.310 nan 0.000 0.477 762 R N 3.247 123.792 120.500 0.075 0.000 2.561 762 R HA 0.613 4.953 4.340 -0.000 0.000 0.297 762 R C -1.724 174.653 176.300 0.129 0.000 0.969 762 R CA -0.554 55.600 56.100 0.090 0.000 0.879 762 R CB 1.131 31.488 30.300 0.094 0.000 1.178 762 R HN 0.588 nan 8.270 nan 0.000 0.445 763 N N 3.231 122.020 118.700 0.150 0.000 2.519 763 N HA 0.277 5.017 4.740 -0.000 0.000 0.291 763 N C -1.950 173.705 175.510 0.241 0.000 1.107 763 N CA -0.334 52.828 53.050 0.185 0.000 0.904 763 N CB 2.255 40.855 38.487 0.188 0.000 1.500 763 N HN 0.292 nan 8.380 nan 0.000 0.510 764 V N 4.300 124.351 119.914 0.230 0.000 2.495 764 V HA 0.508 4.628 4.120 -0.000 0.000 0.298 764 V C -0.897 175.330 176.094 0.220 0.000 1.031 764 V CA -0.542 61.974 62.300 0.360 0.000 0.871 764 V CB 1.013 33.155 31.823 0.531 0.000 0.988 764 V HN 0.493 nan 8.190 nan 0.000 0.432 765 Y N 2.522 122.903 120.300 0.135 0.000 2.377 765 Y HA 0.511 5.061 4.550 -0.000 0.000 0.339 765 Y C -0.110 175.789 175.900 -0.003 0.000 1.011 765 Y CA -0.846 57.180 58.100 -0.124 0.000 1.093 765 Y CB 1.491 39.767 38.460 -0.306 0.000 1.201 765 Y HN 0.792 nan 8.280 nan 0.000 0.455 766 W N 4.207 125.562 121.300 0.091 0.000 2.332 766 W HA 0.758 5.418 4.660 -0.000 0.000 0.306 766 W C -1.834 174.600 176.519 -0.141 0.000 1.149 766 W CA -0.760 56.516 57.345 -0.115 0.000 1.271 766 W CB 0.108 29.466 29.460 -0.169 0.000 1.243 766 W HN 0.219 nan 8.180 nan 0.000 0.459 767 L N 3.108 124.136 121.223 -0.325 0.000 2.256 767 L HA 0.749 5.089 4.340 -0.000 0.000 0.261 767 L C 0.051 176.647 176.870 -0.457 0.000 1.022 767 L CA -1.255 53.292 54.840 -0.488 0.000 0.828 767 L CB 2.002 43.541 42.059 -0.866 0.000 1.374 767 L HN 0.528 nan 8.230 nan 0.000 0.436 768 S N -1.772 113.803 115.700 -0.209 0.000 2.569 768 S HA 0.336 4.806 4.470 -0.000 0.000 0.280 768 S C 0.515 175.248 174.600 0.221 0.000 1.111 768 S CA -0.089 58.127 58.200 0.026 0.000 0.887 768 S CB 1.710 64.923 63.200 0.022 0.000 1.095 768 S HN 0.759 nan 8.310 nan 0.000 0.476 769 T N 0.383 115.095 114.554 0.263 0.000 3.055 769 T HA 0.178 4.528 4.350 -0.000 0.000 0.265 769 T C 0.569 175.335 174.700 0.111 0.000 1.111 769 T CA 0.663 62.876 62.100 0.188 0.000 1.118 769 T CB -0.208 68.728 68.868 0.115 0.000 0.909 769 T HN 0.411 nan 8.240 nan 0.000 0.501 770 K N 1.572 122.030 120.400 0.097 0.000 2.240 770 K HA 0.642 4.962 4.320 -0.000 0.000 0.271 770 K C -0.477 176.164 176.600 0.068 0.000 1.018 770 K CA -0.656 55.675 56.287 0.073 0.000 0.874 770 K CB 1.131 33.671 32.500 0.067 0.000 1.098 770 K HN 0.305 nan 8.250 nan 0.000 0.458 771 A N 3.800 126.655 122.820 0.057 0.000 2.302 771 A HA 0.221 4.540 4.320 -0.000 0.000 0.285 771 A C -0.564 177.031 177.584 0.019 0.000 1.105 771 A CA -0.594 51.471 52.037 0.047 0.000 0.816 771 A CB 0.387 19.411 19.000 0.040 0.000 1.067 771 A HN 0.757 nan 8.150 nan 0.000 0.489 772 D N 1.485 121.888 120.400 0.004 0.000 2.351 772 D HA 0.417 5.057 4.640 -0.000 0.000 0.251 772 D C 0.207 176.455 176.300 -0.087 0.000 1.137 772 D CA 0.775 54.737 54.000 -0.064 0.000 0.879 772 D CB 1.153 41.925 40.800 -0.047 0.000 1.181 772 D HN 0.638 nan 8.370 nan 0.000 0.448 773 T N -0.993 113.464 114.554 -0.162 0.000 2.906 773 T HA 0.635 4.985 4.350 -0.000 0.000 0.295 773 T C -0.277 174.246 174.700 -0.294 0.000 1.061 773 T CA -0.933 61.071 62.100 -0.160 0.000 1.000 773 T CB 1.138 69.948 68.868 -0.097 0.000 1.103 773 T HN 0.093 nan 8.240 nan 0.000 0.486 774 L N 2.401 123.390 121.223 -0.391 0.000 2.307 774 L HA 0.499 4.839 4.340 -0.000 0.000 0.282 774 L C 0.536 177.046 176.870 -0.600 0.000 1.051 774 L CA -0.829 53.590 54.840 -0.703 0.000 0.804 774 L CB 1.107 42.318 42.059 -1.413 0.000 1.197 774 L HN 0.716 nan 8.230 nan 0.000 0.431 775 N N 1.733 120.147 118.700 -0.477 0.000 3.124 775 N HA 0.034 4.774 4.740 -0.000 0.000 0.284 775 N C 0.561 175.931 175.510 -0.233 0.000 1.209 775 N CA -0.083 52.806 53.050 -0.268 0.000 1.149 775 N CB 0.049 38.434 38.487 -0.170 0.000 1.434 775 N HN 0.503 nan 8.380 nan 0.000 0.529 776 W N 1.621 122.880 121.300 -0.067 0.000 2.321 776 W HA -0.108 4.552 4.660 -0.000 0.000 0.306 776 W C 2.288 178.770 176.519 -0.062 0.000 1.217 776 W CA 1.066 58.372 57.345 -0.065 0.000 1.257 776 W CB -0.361 29.066 29.460 -0.055 0.000 1.145 776 W HN 0.506 nan 8.180 nan 0.000 0.509 777 G N -0.045 108.852 108.800 0.161 0.000 2.418 777 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.217 777 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.217 777 G C 1.551 176.475 174.900 0.041 0.000 1.158 777 G CA 0.997 46.152 45.100 0.093 0.000 0.771 777 G HN 0.394 nan 8.290 nan 0.000 0.545 778 G N 0.167 108.962 108.800 -0.009 0.000 3.234 778 G HA2 0.280 4.240 3.960 -0.000 0.000 0.221 778 G HA3 0.280 4.240 3.960 -0.000 0.000 0.221 778 G C 0.494 175.318 174.900 -0.126 0.000 1.229 778 G CA 0.100 45.175 45.100 -0.043 0.000 0.909 778 G HN 0.331 nan 8.290 nan 0.000 0.510 779 S N 0.411 116.056 115.700 -0.091 0.000 2.516 779 S HA 0.187 4.657 4.470 -0.000 0.000 0.282 779 S C 0.044 174.574 174.600 -0.117 0.000 1.286 779 S CA -0.364 57.744 58.200 -0.155 0.000 1.066 779 S CB 0.868 64.090 63.200 0.037 0.000 0.884 779 S HN 0.398 nan 8.310 nan 0.000 0.491 780 D N 2.035 122.273 120.400 -0.270 0.000 2.466 780 D HA 0.229 4.869 4.640 -0.000 0.000 0.262 780 D C 1.355 177.665 176.300 0.017 0.000 1.177 780 D CA -0.757 53.199 54.000 -0.074 0.000 1.035 780 D CB 0.406 41.129 40.800 -0.130 0.000 1.105 780 D HN 0.733 nan 8.370 nan 0.000 0.551 781 W N 1.304 122.714 121.300 0.183 0.000 2.465 781 W HA -0.145 4.515 4.660 -0.000 0.000 0.268 781 W C 0.506 177.252 176.519 0.379 0.000 1.242 781 W CA 0.528 58.032 57.345 0.265 0.000 1.248 781 W CB -0.852 28.779 29.460 0.285 0.000 1.118 781 W HN 0.443 nan 8.180 nan 0.000 0.587 782 Y N -1.113 118.957 120.300 -0.383 0.000 2.588 782 Y HA 0.445 4.995 4.550 -0.000 0.000 0.247 782 Y C -0.420 175.551 175.900 0.120 0.000 1.157 782 Y CA -1.200 56.744 58.100 -0.260 0.000 1.215 782 Y CB -0.819 37.086 38.460 -0.926 0.000 1.245 782 Y HN 0.019 nan 8.280 nan 0.000 0.534 783 Y N -2.016 117.987 120.300 -0.496 0.000 2.765 783 Y HA 0.627 5.177 4.550 -0.000 0.000 0.350 783 Y C -1.947 173.759 175.900 -0.323 0.000 1.196 783 Y CA -1.368 56.487 58.100 -0.408 0.000 1.119 783 Y CB 0.937 39.155 38.460 -0.403 0.000 1.368 783 Y HN -0.130 nan 8.280 nan 0.000 0.463 784 T N 5.304 119.447 114.554 -0.683 0.000 2.812 784 T HA 0.482 4.832 4.350 -0.000 0.000 0.282 784 T C -2.850 171.472 174.700 -0.630 0.000 0.990 784 T CA -1.413 60.274 62.100 -0.688 0.000 0.960 784 T CB 1.716 70.389 68.868 -0.324 0.000 0.948 784 T HN 0.522 nan 8.240 nan 0.000 0.438 785 P HA 0.242 nan 4.420 nan 0.000 0.275 785 P C -0.849 176.284 177.300 -0.279 0.000 1.266 785 P CA -0.595 62.373 63.100 -0.220 0.000 0.793 785 P CB 0.918 32.543 31.700 -0.125 0.000 1.074 786 Q N -0.566 119.073 119.800 -0.268 0.000 2.266 786 Q HA 0.311 4.651 4.340 -0.000 0.000 0.261 786 Q C 0.775 176.534 176.000 -0.401 0.000 0.985 786 Q CA -0.524 54.978 55.803 -0.502 0.000 0.873 786 Q CB 1.431 29.586 28.738 -0.971 0.000 1.306 786 Q HN 0.441 nan 8.270 nan 0.000 0.447 787 S N -0.523 114.975 115.700 -0.338 0.000 2.556 787 S HA 0.513 4.983 4.470 -0.000 0.000 0.216 787 S C 0.262 174.782 174.600 -0.135 0.000 0.970 787 S CA 0.050 58.144 58.200 -0.177 0.000 0.912 787 S CB 0.557 63.681 63.200 -0.126 0.000 0.790 787 S HN 0.609 nan 8.310 nan 0.000 0.504 788 A N 0.460 123.120 122.820 -0.267 0.000 2.594 788 A HA 0.675 4.995 4.320 -0.000 0.000 0.296 788 A C -1.834 175.570 177.584 -0.300 0.000 1.056 788 A CA -0.783 51.185 52.037 -0.115 0.000 0.693 788 A CB 0.534 19.515 19.000 -0.031 0.000 1.278 788 A HN 0.232 nan 8.150 nan 0.000 0.408 789 F N 1.264 121.218 119.950 0.007 0.000 2.482 789 F HA 0.671 5.198 4.527 -0.000 0.000 0.331 789 F C 0.954 176.756 175.800 0.003 0.000 1.115 789 F CA -0.035 57.971 58.000 0.010 0.000 0.955 789 F CB 2.046 41.050 39.000 0.006 0.000 1.136 789 F HN 0.883 nan 8.300 nan 0.000 0.452 790 A N 1.523 124.430 122.820 0.146 0.000 2.492 790 A HA 0.183 4.503 4.320 -0.000 0.000 0.236 790 A C -0.213 177.405 177.584 0.056 0.000 1.078 790 A CA -0.000 52.083 52.037 0.077 0.000 0.773 790 A CB 0.033 19.056 19.000 0.039 0.000 1.023 790 A HN 0.687 nan 8.150 nan 0.000 0.504 791 D N 1.515 121.929 120.400 0.023 0.000 2.472 791 D HA 0.443 5.083 4.640 -0.000 0.000 0.234 791 D C 0.028 176.296 176.300 -0.053 0.000 1.088 791 D CA -0.172 53.824 54.000 -0.006 0.000 0.882 791 D CB 0.428 41.244 40.800 0.026 0.000 1.037 791 D HN 0.374 nan 8.370 nan 0.000 0.520 792 L N 2.309 123.440 121.223 -0.153 0.000 2.769 792 L HA 0.104 4.444 4.340 -0.000 0.000 0.240 792 L C 2.087 178.877 176.870 -0.133 0.000 1.163 792 L CA -0.150 54.572 54.840 -0.196 0.000 0.962 792 L CB 0.096 41.915 42.059 -0.401 0.000 1.258 792 L HN 0.229 nan 8.230 nan 0.000 0.513 793 S N -0.169 115.496 115.700 -0.058 0.000 2.500 793 S HA -0.116 4.354 4.470 -0.000 0.000 0.239 793 S C 2.066 176.695 174.600 0.049 0.000 0.989 793 S CA 0.901 59.118 58.200 0.028 0.000 0.951 793 S CB -0.601 62.620 63.200 0.034 0.000 0.759 793 S HN 0.473 nan 8.310 nan 0.000 0.523 794 G N 2.137 110.949 108.800 0.020 0.000 2.462 794 G HA2 -0.113 3.846 3.960 -0.000 0.000 0.220 794 G HA3 -0.113 3.846 3.960 -0.000 0.000 0.220 794 G C 1.323 176.245 174.900 0.036 0.000 1.121 794 G CA 0.909 46.025 45.100 0.027 0.000 0.758 794 G HN 0.558 nan 8.290 nan 0.000 0.559 795 L N 0.178 121.410 121.223 0.015 0.000 2.129 795 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 795 L C 2.609 179.705 176.870 0.376 0.000 1.087 795 L CA 1.331 56.193 54.840 0.037 0.000 0.757 795 L CB -0.554 41.380 42.059 -0.208 0.000 0.896 795 L HN 0.260 nan 8.230 nan 0.000 0.434 796 N N 0.067 118.953 118.700 0.311 0.000 2.272 796 N HA -0.164 4.576 4.740 -0.000 0.000 0.185 796 N C 0.911 176.510 175.510 0.149 0.000 1.014 796 N CA 1.083 54.276 53.050 0.239 0.000 0.870 796 N CB -0.047 38.528 38.487 0.146 0.000 0.975 796 N HN 0.345 nan 8.380 nan 0.000 0.433 797 N N 0.309 119.082 118.700 0.122 0.000 2.275 797 N HA 0.070 4.810 4.740 -0.000 0.000 0.236 797 N C -0.709 174.840 175.510 0.066 0.000 1.154 797 N CA -0.229 52.864 53.050 0.073 0.000 0.866 797 N CB 0.428 38.944 38.487 0.049 0.000 1.093 797 N HN 0.161 nan 8.380 nan 0.000 0.515 798 L N 1.811 123.096 121.223 0.103 0.000 2.433 798 L HA 0.321 4.661 4.340 -0.000 0.000 0.275 798 L C 0.958 177.862 176.870 0.057 0.000 1.128 798 L CA -0.196 54.682 54.840 0.063 0.000 0.875 798 L CB 0.044 42.140 42.059 0.062 0.000 1.171 798 L HN 0.107 nan 8.230 nan 0.000 0.463 799 G N 4.343 113.155 108.800 0.020 0.000 2.568 799 G HA2 0.021 3.981 3.960 -0.000 0.000 0.231 799 G HA3 0.021 3.981 3.960 -0.000 0.000 0.231 799 G C -0.224 174.679 174.900 0.005 0.000 1.261 799 G CA -0.569 44.536 45.100 0.008 0.000 0.855 799 G HN 0.701 nan 8.290 nan 0.000 0.576 800 Q N -0.231 119.566 119.800 -0.004 0.000 2.332 800 Q HA 0.278 4.618 4.340 -0.000 0.000 0.263 800 Q C 0.455 176.442 176.000 -0.022 0.000 0.979 800 Q CA 0.049 55.846 55.803 -0.011 0.000 0.885 800 Q CB 1.530 30.255 28.738 -0.022 0.000 1.218 800 Q HN 0.471 nan 8.270 nan 0.000 0.405 801 S N 0.160 115.844 115.700 -0.027 0.000 2.786 801 S HA 0.895 5.365 4.470 -0.000 0.000 0.302 801 S C -1.371 173.206 174.600 -0.039 0.000 1.080 801 S CA -0.058 58.115 58.200 -0.045 0.000 0.925 801 S CB 1.409 64.563 63.200 -0.077 0.000 1.325 801 S HN 0.682 nan 8.310 nan 0.000 0.576 802 A N 0.001 122.795 122.820 -0.044 0.000 2.572 802 A HA 0.776 5.096 4.320 -0.000 0.000 0.295 802 A C -1.520 176.040 177.584 -0.040 0.000 1.072 802 A CA -0.532 51.482 52.037 -0.038 0.000 0.691 802 A CB 1.589 20.571 19.000 -0.029 0.000 1.291 802 A HN 1.056 nan 8.150 nan 0.000 0.404 803 V N 0.876 120.767 119.914 -0.038 0.000 2.668 803 V HA 0.754 4.874 4.120 -0.000 0.000 0.304 803 V C 0.215 176.291 176.094 -0.029 0.000 1.071 803 V CA 0.431 62.708 62.300 -0.038 0.000 0.894 803 V CB 1.753 33.544 31.823 -0.053 0.000 1.008 803 V HN 1.644 nan 8.190 nan 0.000 0.425 804 G N 4.525 113.312 108.800 -0.021 0.000 2.371 804 G HA2 0.809 4.769 3.960 -0.000 0.000 0.326 804 G HA3 0.809 4.769 3.960 -0.000 0.000 0.326 804 G C -0.597 174.296 174.900 -0.010 0.000 1.127 804 G CA -0.044 45.048 45.100 -0.013 0.000 0.885 804 G HN 1.463 nan 8.290 nan 0.000 0.477 805 A N 1.385 124.201 122.820 -0.006 0.000 2.393 805 A HA 0.840 5.159 4.320 -0.000 0.000 0.306 805 A C -0.219 177.371 177.584 0.011 0.000 1.050 805 A CA -0.572 51.466 52.037 0.002 0.000 0.724 805 A CB 1.880 20.879 19.000 -0.001 0.000 1.248 805 A HN 0.656 nan 8.150 nan 0.000 0.424 806 T N 1.358 115.923 114.554 0.019 0.000 2.807 806 T HA 0.739 5.089 4.350 -0.000 0.000 0.279 806 T C -0.231 174.490 174.700 0.035 0.000 0.993 806 T CA 0.102 62.215 62.100 0.022 0.000 0.970 806 T CB 1.529 70.408 68.868 0.019 0.000 0.950 806 T HN 1.421 nan 8.240 nan 0.000 0.441 807 A N 3.489 126.330 122.820 0.035 0.000 2.449 807 A HA 0.846 5.166 4.320 -0.000 0.000 0.302 807 A C -0.763 176.841 177.584 0.033 0.000 1.048 807 A CA -0.816 51.249 52.037 0.046 0.000 0.708 807 A CB 1.408 20.444 19.000 0.061 0.000 1.274 807 A HN 0.843 nan 8.150 nan 0.000 0.410 808 N N 0.091 118.809 118.700 0.030 0.000 2.598 808 N HA 0.588 5.328 4.740 -0.000 0.000 0.263 808 N C -1.459 174.055 175.510 0.008 0.000 1.254 808 N CA -0.314 52.745 53.050 0.017 0.000 0.863 808 N CB 1.815 40.307 38.487 0.009 0.000 1.586 808 N HN 0.558 nan 8.380 nan 0.000 0.491 809 S N 0.704 116.403 115.700 -0.001 0.000 2.542 809 S HA 0.564 5.034 4.470 -0.000 0.000 0.293 809 S C -1.072 173.503 174.600 -0.042 0.000 1.089 809 S CA -0.570 57.616 58.200 -0.023 0.000 0.961 809 S CB 2.124 65.324 63.200 -0.000 0.000 1.062 809 S HN 0.303 nan 8.310 nan 0.000 0.483 810 V N 2.024 121.894 119.914 -0.074 0.000 2.409 810 V HA 0.625 4.745 4.120 -0.000 0.000 0.290 810 V C -0.012 176.021 176.094 -0.102 0.000 1.017 810 V CA -0.806 61.451 62.300 -0.072 0.000 0.841 810 V CB 1.261 33.044 31.823 -0.066 0.000 1.003 810 V HN 1.041 nan 8.190 nan 0.000 0.426 811 A N 4.119 126.890 122.820 -0.082 0.000 2.350 811 A HA 0.677 4.997 4.320 -0.000 0.000 0.293 811 A C 0.755 178.292 177.584 -0.079 0.000 1.231 811 A CA 0.317 52.299 52.037 -0.092 0.000 0.883 811 A CB 0.057 19.019 19.000 -0.063 0.000 1.133 811 A HN 1.018 nan 8.150 nan 0.000 0.533 812 G N 0.582 109.325 108.800 -0.094 0.000 2.451 812 G HA2 0.488 4.448 3.960 -0.000 0.000 0.303 812 G HA3 0.488 4.448 3.960 -0.000 0.000 0.303 812 G C 1.062 175.926 174.900 -0.060 0.000 1.166 812 G CA 0.031 45.087 45.100 -0.075 0.000 0.884 812 G HN 1.260 nan 8.290 nan 0.000 0.514 813 A N 0.842 123.634 122.820 -0.046 0.000 2.032 813 A HA -0.130 4.190 4.320 -0.000 0.000 0.221 813 A C 1.853 179.416 177.584 -0.036 0.000 1.165 813 A CA 2.201 54.216 52.037 -0.036 0.000 0.645 813 A CB -0.302 18.681 19.000 -0.029 0.000 0.807 813 A HN 0.670 nan 8.150 nan 0.000 0.453 814 D N -2.266 118.108 120.400 -0.043 0.000 2.349 814 D HA 0.271 4.910 4.640 -0.000 0.000 0.224 814 D C 1.150 177.423 176.300 -0.045 0.000 1.029 814 D CA 0.860 54.835 54.000 -0.041 0.000 0.879 814 D CB -0.699 40.075 40.800 -0.045 0.000 0.906 814 D HN 0.821 nan 8.370 nan 0.000 0.528 815 G N 0.003 108.773 108.800 -0.051 0.000 2.157 815 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.248 815 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.248 815 G C 0.386 175.241 174.900 -0.075 0.000 0.979 815 G CA 0.556 45.626 45.100 -0.051 0.000 0.650 815 G HN 0.845 nan 8.290 nan 0.000 0.529 816 T N -1.945 112.545 114.554 -0.106 0.000 2.925 816 T HA 0.735 5.085 4.350 -0.000 0.000 0.285 816 T C -0.180 174.372 174.700 -0.247 0.000 1.021 816 T CA 0.232 62.229 62.100 -0.171 0.000 1.042 816 T CB 2.621 71.394 68.868 -0.158 0.000 1.037 816 T HN 0.310 nan 8.240 nan 0.000 0.481 817 T N 2.086 116.371 114.554 -0.450 0.000 2.829 817 T HA 0.576 4.926 4.350 -0.000 0.000 0.280 817 T C -0.500 173.822 174.700 -0.630 0.000 0.999 817 T CA -0.525 61.258 62.100 -0.530 0.000 0.983 817 T CB 1.537 70.042 68.868 -0.605 0.000 0.968 817 T HN 0.784 nan 8.240 nan 0.000 0.446 818 T N 3.123 117.454 114.554 -0.372 0.000 2.770 818 T HA 0.464 4.814 4.350 -0.000 0.000 0.283 818 T C -0.102 174.481 174.700 -0.194 0.000 0.988 818 T CA -0.459 61.469 62.100 -0.287 0.000 0.957 818 T CB 0.945 69.705 68.868 -0.180 0.000 0.930 818 T HN 0.474 nan 8.240 nan 0.000 0.443 819 T N 3.621 118.081 114.554 -0.156 0.000 2.771 819 T HA 0.447 4.796 4.350 -0.000 0.000 0.281 819 T C 0.178 174.844 174.700 -0.057 0.000 0.982 819 T CA -0.463 61.605 62.100 -0.052 0.000 0.978 819 T CB 0.940 69.837 68.868 0.048 0.000 0.930 819 T HN 0.464 nan 8.240 nan 0.000 0.447 820 T N 2.980 117.531 114.554 -0.005 0.000 2.795 820 T HA 0.577 4.927 4.350 -0.000 0.000 0.282 820 T C -0.428 174.319 174.700 0.078 0.000 0.980 820 T CA -0.584 61.535 62.100 0.033 0.000 1.012 820 T CB 1.282 70.160 68.868 0.017 0.000 0.936 820 T HN 0.500 nan 8.240 nan 0.000 0.457 821 V N 2.990 122.984 119.914 0.133 0.000 2.638 821 V HA 0.727 4.846 4.120 -0.000 0.000 0.306 821 V C -0.647 175.504 176.094 0.094 0.000 1.052 821 V CA -0.323 62.057 62.300 0.133 0.000 0.885 821 V CB 2.113 34.059 31.823 0.206 0.000 0.999 821 V HN 0.864 nan 8.190 nan 0.000 0.424 822 T N 8.295 122.883 114.554 0.058 0.000 2.771 822 T HA 0.658 5.008 4.350 -0.000 0.000 0.281 822 T C -0.442 174.271 174.700 0.022 0.000 0.982 822 T CA -0.214 61.909 62.100 0.038 0.000 0.978 822 T CB 0.971 69.857 68.868 0.030 0.000 0.930 822 T HN 0.659 nan 8.240 nan 0.000 0.447 823 L N 3.142 124.372 121.223 0.011 0.000 2.346 823 L HA 0.670 5.010 4.340 -0.000 0.000 0.274 823 L C -0.006 176.864 176.870 -0.001 0.000 1.007 823 L CA -0.864 53.972 54.840 -0.007 0.000 0.818 823 L CB 1.898 43.937 42.059 -0.033 0.000 1.284 823 L HN 0.373 nan 8.230 nan 0.000 0.424 824 K N 1.963 122.361 120.400 -0.005 0.000 2.468 824 K HA 0.270 4.590 4.320 -0.000 0.000 0.252 824 K C -1.092 175.505 176.600 -0.006 0.000 0.932 824 K CA -0.797 55.492 56.287 0.003 0.000 0.794 824 K CB 1.831 34.336 32.500 0.007 0.000 1.241 824 K HN 0.466 nan 8.250 nan 0.000 0.428 825 N N 2.405 121.105 118.700 0.001 0.000 2.399 825 N HA 0.002 4.742 4.740 -0.000 0.000 0.259 825 N C -0.205 175.302 175.510 -0.005 0.000 1.160 825 N CA 0.257 53.299 53.050 -0.012 0.000 0.946 825 N CB 0.783 39.263 38.487 -0.013 0.000 1.156 825 N HN 0.634 nan 8.380 nan 0.000 0.489 826 T N -0.605 113.941 114.554 -0.013 0.000 3.214 826 T HA 0.152 4.502 4.350 -0.000 0.000 0.264 826 T C 0.712 175.406 174.700 -0.010 0.000 1.012 826 T CA -0.672 61.424 62.100 -0.007 0.000 0.901 826 T CB -0.471 68.392 68.868 -0.008 0.000 1.070 826 T HN 0.353 nan 8.240 nan 0.000 0.561 827 S N -0.193 115.497 115.700 -0.017 0.000 2.652 827 S HA 0.616 5.086 4.470 -0.000 0.000 0.270 827 S C 1.434 176.030 174.600 -0.007 0.000 1.243 827 S CA -0.167 58.022 58.200 -0.018 0.000 0.999 827 S CB 1.238 64.419 63.200 -0.031 0.000 0.973 827 S HN 0.307 nan 8.310 nan 0.000 0.544 828 G N 0.235 109.032 108.800 -0.005 0.000 2.838 828 G HA2 0.433 4.393 3.960 -0.000 0.000 0.210 828 G HA3 0.433 4.393 3.960 -0.000 0.000 0.210 828 G C 0.624 175.528 174.900 0.007 0.000 1.153 828 G CA 0.084 45.186 45.100 0.003 0.000 0.778 828 G HN 0.990 nan 8.290 nan 0.000 0.539 829 G N -0.243 108.556 108.800 -0.001 0.000 2.494 829 G HA2 0.377 4.337 3.960 -0.000 0.000 0.270 829 G HA3 0.377 4.337 3.960 -0.000 0.000 0.270 829 G C 0.589 175.495 174.900 0.010 0.000 1.423 829 G CA -0.682 44.420 45.100 0.003 0.000 1.055 829 G HN 0.169 nan 8.290 nan 0.000 0.536 830 R N -1.520 118.988 120.500 0.014 0.000 2.362 830 R HA 0.272 4.612 4.340 -0.000 0.000 0.227 830 R C 0.327 176.602 176.300 -0.043 0.000 0.905 830 R CA -0.225 55.895 56.100 0.035 0.000 1.067 830 R CB -0.044 30.306 30.300 0.084 0.000 1.078 830 R HN 0.243 nan 8.270 nan 0.000 0.516 831 L N 3.726 124.892 121.223 -0.094 0.000 2.361 831 L HA 0.228 4.568 4.340 -0.000 0.000 0.278 831 L C -1.921 174.739 176.870 -0.349 0.000 1.113 831 L CA -1.936 52.786 54.840 -0.197 0.000 0.849 831 L CB 0.322 42.307 42.059 -0.124 0.000 1.155 831 L HN -0.146 nan 8.230 nan 0.000 0.452 832 P HA 0.021 nan 4.420 nan 0.000 0.269 832 P C -0.750 176.280 177.300 -0.450 0.000 1.209 832 P CA -0.406 62.129 63.100 -0.941 0.000 0.776 832 P CB 0.913 31.491 31.700 -1.870 0.000 0.876 833 A N 3.795 126.432 122.820 -0.305 0.000 2.343 833 A HA 0.331 4.651 4.320 -0.000 0.000 0.305 833 A C -0.531 176.998 177.584 -0.092 0.000 1.308 833 A CA -0.363 51.590 52.037 -0.140 0.000 0.949 833 A CB -1.039 17.900 19.000 -0.102 0.000 1.148 833 A HN 0.493 nan 8.150 nan 0.000 0.545 834 F N 3.174 123.007 119.950 -0.195 0.000 2.408 834 F HA 0.459 4.986 4.527 -0.000 0.000 0.344 834 F C 0.046 175.822 175.800 -0.040 0.000 1.112 834 F CA -0.918 56.977 58.000 -0.175 0.000 1.096 834 F CB 0.398 39.258 39.000 -0.232 0.000 1.129 834 F HN 0.659 nan 8.300 nan 0.000 0.486 835 Y N 3.909 123.646 120.300 -0.938 0.000 3.018 835 Y HA -0.174 4.376 4.550 -0.000 0.000 0.181 835 Y C -1.225 174.388 175.900 -0.479 0.000 1.542 835 Y CA 0.271 57.806 58.100 -0.942 0.000 0.975 835 Y CB -1.297 36.262 38.460 -1.502 0.000 1.379 835 Y HN 0.385 nan 8.280 nan 0.000 0.423 836 V N 3.713 123.345 119.914 -0.470 0.000 2.385 836 V HA 0.222 4.342 4.120 -0.000 0.000 0.269 836 V C 0.202 175.994 176.094 -0.503 0.000 1.043 836 V CA -0.183 61.899 62.300 -0.364 0.000 0.906 836 V CB 1.467 33.142 31.823 -0.247 0.000 0.995 836 V HN 0.437 nan 8.190 nan 0.000 0.467 837 D N 3.552 123.693 120.400 -0.432 0.000 2.344 837 D HA 0.395 5.035 4.640 -0.000 0.000 0.239 837 D C -0.496 175.585 176.300 -0.364 0.000 1.064 837 D CA -0.087 53.630 54.000 -0.471 0.000 0.829 837 D CB 1.898 42.522 40.800 -0.293 0.000 1.129 837 D HN 0.453 nan 8.370 nan 0.000 0.506 838 S N 3.316 118.698 115.700 -0.530 0.000 2.475 838 S HA 0.523 4.993 4.470 -0.000 0.000 0.298 838 S C -0.410 174.041 174.600 -0.249 0.000 1.119 838 S CA -0.801 57.149 58.200 -0.416 0.000 1.085 838 S CB 1.372 64.216 63.200 -0.594 0.000 1.028 838 S HN 0.251 nan 8.310 nan 0.000 0.489 839 K N 2.369 122.809 120.400 0.067 0.000 2.578 839 K HA 0.306 4.626 4.320 -0.000 0.000 0.250 839 K C -1.140 175.587 176.600 0.212 0.000 0.955 839 K CA -0.560 55.844 56.287 0.194 0.000 0.825 839 K CB 2.007 34.550 32.500 0.070 0.000 1.151 839 K HN 0.398 nan 8.250 nan 0.000 0.432 840 V N 3.946 124.001 119.914 0.236 0.000 2.493 840 V HA 0.041 4.161 4.120 -0.000 0.000 0.292 840 V C 0.538 176.586 176.094 -0.077 0.000 1.016 840 V CA -0.222 62.068 62.300 -0.016 0.000 1.097 840 V CB 0.424 32.045 31.823 -0.336 0.000 0.947 840 V HN 0.504 nan 8.190 nan 0.000 0.479 841 V N 2.212 122.091 119.914 -0.060 0.000 3.001 841 V HA 0.801 4.921 4.120 -0.000 0.000 0.314 841 V C -0.266 175.788 176.094 -0.066 0.000 1.099 841 V CA -1.049 61.214 62.300 -0.062 0.000 0.989 841 V CB 2.120 33.925 31.823 -0.029 0.000 1.040 841 V HN 0.756 nan 8.190 nan 0.000 0.434 842 D N 1.728 122.091 120.400 -0.061 0.000 2.440 842 D HA 0.197 4.837 4.640 -0.000 0.000 0.269 842 D C 1.421 177.704 176.300 -0.028 0.000 1.249 842 D CA 0.285 54.259 54.000 -0.043 0.000 1.055 842 D CB 0.373 41.147 40.800 -0.043 0.000 1.104 842 D HN 0.843 nan 8.370 nan 0.000 0.561 843 S N -1.886 113.801 115.700 -0.021 0.000 2.481 843 S HA 0.041 4.511 4.470 -0.000 0.000 0.231 843 S C 1.658 176.246 174.600 -0.019 0.000 0.996 843 S CA 0.448 58.638 58.200 -0.016 0.000 0.942 843 S CB -0.564 62.629 63.200 -0.012 0.000 0.768 843 S HN 0.649 nan 8.310 nan 0.000 0.520 844 A N 0.488 123.293 122.820 -0.024 0.000 2.308 844 A HA 0.627 4.947 4.320 -0.000 0.000 0.217 844 A C 1.680 179.247 177.584 -0.028 0.000 1.216 844 A CA 0.370 52.391 52.037 -0.026 0.000 0.864 844 A CB -0.793 18.189 19.000 -0.030 0.000 0.902 844 A HN 1.450 nan 8.150 nan 0.000 0.499 845 G N -0.381 108.402 108.800 -0.029 0.000 2.143 845 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.249 845 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.249 845 G C 0.215 175.095 174.900 -0.034 0.000 0.981 845 G CA 0.491 45.574 45.100 -0.028 0.000 0.665 845 G HN 0.658 nan 8.290 nan 0.000 0.528 846 K N 1.251 121.625 120.400 -0.042 0.000 2.322 846 K HA 0.434 4.754 4.320 -0.000 0.000 0.283 846 K C -2.172 174.395 176.600 -0.055 0.000 1.042 846 K CA -1.876 54.380 56.287 -0.052 0.000 0.958 846 K CB 0.828 33.291 32.500 -0.061 0.000 0.984 846 K HN 0.016 nan 8.250 nan 0.000 0.473 847 P HA -0.065 nan 4.420 nan 0.000 0.266 847 P C -1.005 176.246 177.300 -0.081 0.000 1.195 847 P CA -0.237 62.834 63.100 -0.047 0.000 0.768 847 P CB 0.598 32.288 31.700 -0.016 0.000 0.838 848 V N 5.244 125.075 119.914 -0.139 0.000 2.406 848 V HA 0.324 4.444 4.120 -0.000 0.000 0.272 848 V C 0.403 176.402 176.094 -0.159 0.000 1.043 848 V CA 0.070 62.251 62.300 -0.198 0.000 0.915 848 V CB 0.012 31.600 31.823 -0.392 0.000 0.988 848 V HN 0.354 nan 8.190 nan 0.000 0.466 849 L N 6.631 127.810 121.223 -0.074 0.000 2.424 849 L HA 0.608 4.948 4.340 -0.000 0.000 0.258 849 L C -2.365 174.505 176.870 -0.001 0.000 0.995 849 L CA -1.820 53.015 54.840 -0.009 0.000 0.821 849 L CB 2.888 44.966 42.059 0.032 0.000 1.383 849 L HN 0.408 nan 8.230 nan 0.000 0.410 850 P HA 0.245 nan 4.420 nan 0.000 0.273 850 P C -1.130 176.241 177.300 0.117 0.000 1.250 850 P CA -0.257 62.875 63.100 0.053 0.000 0.793 850 P CB 1.991 33.614 31.700 -0.128 0.000 1.011 851 V N -0.326 119.714 119.914 0.210 0.000 3.087 851 V HA 0.386 4.506 4.120 -0.000 0.000 0.306 851 V C -1.527 174.613 176.094 0.076 0.000 1.187 851 V CA -0.612 61.747 62.300 0.099 0.000 0.999 851 V CB 2.398 34.210 31.823 -0.018 0.000 1.049 851 V HN 0.571 nan 8.190 nan 0.000 0.431 852 E N 4.375 124.561 120.200 -0.024 0.000 2.283 852 E HA 0.329 4.679 4.350 -0.000 0.000 0.258 852 E C -1.933 174.624 176.600 -0.070 0.000 0.893 852 E CA -0.258 56.137 56.400 -0.008 0.000 0.798 852 E CB 1.746 31.470 29.700 0.040 0.000 1.242 852 E HN 0.623 nan 8.360 nan 0.000 0.414 853 W N 2.663 123.986 121.300 0.038 0.000 2.516 853 W HA 0.199 4.859 4.660 -0.000 0.000 0.343 853 W C 1.693 178.228 176.519 0.027 0.000 1.094 853 W CA -0.563 56.804 57.345 0.037 0.000 1.250 853 W CB 0.721 30.201 29.460 0.034 0.000 1.308 853 W HN 0.477 nan 8.180 nan 0.000 0.588 854 N N 0.331 119.197 118.700 0.276 0.000 2.270 854 N HA -0.099 4.641 4.740 -0.000 0.000 0.181 854 N C -0.283 175.313 175.510 0.144 0.000 1.016 854 N CA 1.243 54.388 53.050 0.159 0.000 0.870 854 N CB 0.154 38.709 38.487 0.114 0.000 0.979 854 N HN 0.478 nan 8.380 nan 0.000 0.431 855 D N -1.498 119.000 120.400 0.164 0.000 2.623 855 D HA 0.460 5.100 4.640 -0.000 0.000 0.241 855 D C -1.682 174.544 176.300 -0.123 0.000 1.241 855 D CA -0.564 53.459 54.000 0.038 0.000 0.788 855 D CB 1.531 42.343 40.800 0.020 0.000 1.413 855 D HN 0.019 nan 8.370 nan 0.000 0.429 856 N N -0.272 118.235 118.700 -0.322 0.000 3.339 856 N HA 0.538 5.278 4.740 -0.000 0.000 0.275 856 N C -1.415 173.639 175.510 -0.761 0.000 1.514 856 N CA 0.350 52.966 53.050 -0.723 0.000 0.879 856 N CB 1.345 39.134 38.487 -1.164 0.000 1.557 856 N HN 0.822 nan 8.380 nan 0.000 0.524 857 A N 0.024 122.233 122.820 -1.018 0.000 2.312 857 A HA -0.109 4.211 4.320 -0.000 0.000 0.286 857 A C 0.260 177.460 177.584 -0.641 0.000 1.425 857 A CA 1.056 52.487 52.037 -1.010 0.000 0.748 857 A CB -2.376 15.954 19.000 -1.117 0.000 1.126 857 A HN 1.082 nan 8.150 nan 0.000 0.368 858 V N -1.463 118.169 119.914 -0.470 0.000 2.716 858 V HA 0.910 5.030 4.120 -0.000 0.000 0.304 858 V C 0.380 176.371 176.094 -0.173 0.000 1.053 858 V CA -0.112 62.046 62.300 -0.236 0.000 0.984 858 V CB 2.032 33.755 31.823 -0.167 0.000 1.021 858 V HN 1.022 nan 8.190 nan 0.000 0.467 859 S N 4.606 120.305 115.700 -0.002 0.000 2.482 859 S HA 0.813 5.283 4.470 -0.000 0.000 0.303 859 S C -0.658 174.050 174.600 0.180 0.000 1.091 859 S CA -0.586 57.661 58.200 0.078 0.000 1.057 859 S CB 1.181 64.536 63.200 0.258 0.000 1.031 859 S HN 0.734 nan 8.310 nan 0.000 0.485 860 L N 2.202 123.471 121.223 0.076 0.000 2.439 860 L HA 0.480 4.820 4.340 -0.000 0.000 0.270 860 L C -0.585 176.335 176.870 0.083 0.000 0.972 860 L CA -0.559 54.377 54.840 0.159 0.000 0.836 860 L CB 1.259 43.353 42.059 0.058 0.000 1.255 860 L HN 0.577 nan 8.230 nan 0.000 0.404 861 W N 2.499 123.774 121.300 -0.042 0.000 2.183 861 W HA 0.259 4.919 4.660 -0.000 0.000 0.348 861 W C -2.051 174.445 176.519 -0.038 0.000 1.257 861 W CA -1.461 55.838 57.345 -0.077 0.000 1.324 861 W CB 0.965 30.354 29.460 -0.119 0.000 1.144 861 W HN 0.124 nan 8.180 nan 0.000 0.622 862 P HA 0.012 nan 4.420 nan 0.000 0.262 862 P C 0.444 177.801 177.300 0.095 0.000 1.182 862 P CA 1.619 64.765 63.100 0.076 0.000 0.761 862 P CB 0.115 31.853 31.700 0.064 0.000 0.795 863 G N 1.573 110.411 108.800 0.063 0.000 2.148 863 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.254 863 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.254 863 G C -0.035 174.905 174.900 0.065 0.000 0.981 863 G CA -0.217 44.917 45.100 0.057 0.000 0.670 863 G HN 0.562 nan 8.290 nan 0.000 0.528 864 E N 0.065 120.315 120.200 0.083 0.000 2.242 864 E HA 0.575 4.925 4.350 -0.000 0.000 0.275 864 E C -0.391 176.244 176.600 0.058 0.000 1.002 864 E CA -0.245 56.206 56.400 0.084 0.000 0.841 864 E CB 1.558 31.338 29.700 0.133 0.000 1.109 864 E HN 0.068 nan 8.360 nan 0.000 0.394 865 T N 0.981 115.564 114.554 0.048 0.000 2.893 865 T HA 0.424 4.774 4.350 -0.000 0.000 0.291 865 T C -0.879 173.841 174.700 0.034 0.000 1.028 865 T CA -0.338 61.783 62.100 0.034 0.000 0.995 865 T CB 1.833 70.719 68.868 0.028 0.000 1.051 865 T HN 0.327 nan 8.240 nan 0.000 0.470 866 T N 1.546 116.115 114.554 0.024 0.000 2.916 866 T HA 0.613 4.963 4.350 -0.000 0.000 0.305 866 T C -1.188 173.528 174.700 0.027 0.000 1.119 866 T CA -0.333 61.782 62.100 0.024 0.000 1.008 866 T CB 1.637 70.514 68.868 0.017 0.000 1.129 866 T HN 0.523 nan 8.240 nan 0.000 0.480 867 T N 4.188 118.765 114.554 0.037 0.000 2.786 867 T HA 0.636 4.986 4.350 -0.000 0.000 0.283 867 T C -0.713 174.035 174.700 0.079 0.000 0.992 867 T CA -0.447 61.684 62.100 0.053 0.000 0.954 867 T CB 0.341 69.235 68.868 0.043 0.000 0.934 867 T HN 0.359 nan 8.240 nan 0.000 0.440 868 L N 2.601 123.901 121.223 0.129 0.000 2.334 868 L HA 0.635 4.975 4.340 -0.000 0.000 0.276 868 L C 0.222 177.252 176.870 0.268 0.000 1.014 868 L CA -0.845 54.134 54.840 0.232 0.000 0.815 868 L CB 2.121 44.349 42.059 0.281 0.000 1.268 868 L HN 0.498 nan 8.230 nan 0.000 0.428 869 T N 1.805 116.501 114.554 0.237 0.000 2.792 869 T HA 0.660 5.010 4.350 -0.000 0.000 0.280 869 T C -0.497 174.113 174.700 -0.150 0.000 0.990 869 T CA -0.454 61.673 62.100 0.044 0.000 0.960 869 T CB 1.689 70.563 68.868 0.010 0.000 0.939 869 T HN 0.645 nan 8.240 nan 0.000 0.439 870 A N 3.736 126.266 122.820 -0.483 0.000 2.318 870 A HA 0.739 5.059 4.320 -0.000 0.000 0.317 870 A C -0.294 177.078 177.584 -0.353 0.000 1.159 870 A CA -0.712 50.838 52.037 -0.812 0.000 0.799 870 A CB 0.911 19.039 19.000 -1.453 0.000 1.194 870 A HN 0.672 nan 8.150 nan 0.000 0.479 871 K N 1.881 122.132 120.400 -0.247 0.000 2.292 871 K HA 0.676 4.995 4.320 -0.000 0.000 0.257 871 K C -1.675 174.897 176.600 -0.046 0.000 0.940 871 K CA -0.467 55.695 56.287 -0.208 0.000 0.811 871 K CB 1.463 33.874 32.500 -0.148 0.000 1.120 871 K HN 0.806 nan 8.250 nan 0.000 0.428 872 Y N -1.005 119.213 120.300 -0.137 0.000 2.725 872 Y HA 0.438 4.987 4.550 -0.000 0.000 0.333 872 Y C -1.031 174.825 175.900 -0.074 0.000 1.242 872 Y CA -1.479 56.563 58.100 -0.096 0.000 1.059 872 Y CB 0.667 39.065 38.460 -0.103 0.000 1.306 872 Y HN 0.280 nan 8.280 nan 0.000 0.454 873 R N 0.938 121.511 120.500 0.121 0.000 2.267 873 R HA 0.229 4.569 4.340 -0.000 0.000 0.319 873 R C 0.443 176.802 176.300 0.099 0.000 1.067 873 R CA 0.402 56.525 56.100 0.039 0.000 0.936 873 R CB 1.078 31.399 30.300 0.035 0.000 1.006 873 R HN 0.951 nan 8.270 nan 0.000 0.452 874 T N 2.341 116.888 114.554 -0.013 0.000 2.685 874 T HA -0.295 4.055 4.350 -0.000 0.000 0.268 874 T C 1.868 176.604 174.700 0.060 0.000 1.034 874 T CA 2.009 64.120 62.100 0.017 0.000 1.149 874 T CB -0.054 68.792 68.868 -0.038 0.000 0.860 874 T HN 0.764 nan 8.240 nan 0.000 0.449 875 A N 1.700 124.541 122.820 0.035 0.000 2.019 875 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 875 A C 1.955 179.560 177.584 0.035 0.000 1.164 875 A CA 1.464 53.517 52.037 0.027 0.000 0.644 875 A CB -0.444 18.564 19.000 0.013 0.000 0.805 875 A HN 0.375 nan 8.150 nan 0.000 0.449 876 D N -0.413 120.022 120.400 0.058 0.000 2.371 876 D HA -0.038 4.602 4.640 -0.000 0.000 0.221 876 D C 1.315 177.627 176.300 0.019 0.000 0.986 876 D CA 0.305 54.328 54.000 0.038 0.000 0.899 876 D CB 0.051 40.877 40.800 0.043 0.000 0.902 876 D HN 0.238 nan 8.370 nan 0.000 0.530 877 L N 0.660 121.912 121.223 0.049 0.000 2.217 877 L HA -0.020 4.320 4.340 -0.000 0.000 0.211 877 L C 0.855 177.729 176.870 0.007 0.000 1.107 877 L CA 0.912 55.767 54.840 0.026 0.000 0.783 877 L CB -0.568 41.533 42.059 0.069 0.000 0.919 877 L HN -0.006 nan 8.230 nan 0.000 0.442 878 K N -0.328 120.078 120.400 0.010 0.000 3.096 878 K HA -0.245 4.075 4.320 -0.000 0.000 0.266 878 K C 1.044 177.644 176.600 -0.000 0.000 1.043 878 K CA 0.295 56.582 56.287 0.000 0.000 0.758 878 K CB -1.911 30.583 32.500 -0.010 0.000 1.260 878 K HN 0.533 nan 8.250 nan 0.000 0.481 879 G N -0.876 107.928 108.800 0.006 0.000 2.258 879 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.233 879 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.233 879 G C 0.173 175.076 174.900 0.005 0.000 1.006 879 G CA 0.248 45.351 45.100 0.004 0.000 0.620 879 G HN 0.679 nan 8.290 nan 0.000 0.511 880 S N 0.660 116.362 115.700 0.004 0.000 2.584 880 S HA 0.516 4.986 4.470 -0.000 0.000 0.270 880 S C 0.666 175.274 174.600 0.014 0.000 1.346 880 S CA 0.375 58.577 58.200 0.003 0.000 1.018 880 S CB 0.520 63.716 63.200 -0.006 0.000 0.899 880 S HN 0.447 nan 8.310 nan 0.000 0.542 881 K N 3.188 123.595 120.400 0.011 0.000 2.237 881 K HA 0.362 4.682 4.320 -0.000 0.000 0.270 881 K C -2.291 174.323 176.600 0.023 0.000 1.015 881 K CA -1.685 54.613 56.287 0.018 0.000 0.949 881 K CB 0.394 32.901 32.500 0.012 0.000 0.976 881 K HN 0.536 nan 8.250 nan 0.000 0.472 882 P HA 0.131 nan 4.420 nan 0.000 0.278 882 P C -0.861 176.457 177.300 0.030 0.000 1.238 882 P CA -0.329 62.799 63.100 0.047 0.000 0.794 882 P CB 1.431 33.204 31.700 0.122 0.000 0.955 883 S N 0.382 116.090 115.700 0.014 0.000 2.697 883 S HA 0.583 5.053 4.470 -0.000 0.000 0.289 883 S C -0.878 173.743 174.600 0.035 0.000 1.149 883 S CA -0.601 57.612 58.200 0.022 0.000 0.850 883 S CB 1.541 64.747 63.200 0.009 0.000 1.151 883 S HN 0.215 nan 8.310 nan 0.000 0.491 884 V N 2.036 121.980 119.914 0.051 0.000 2.380 884 V HA 0.458 4.578 4.120 -0.000 0.000 0.286 884 V C -0.120 176.001 176.094 0.044 0.000 1.015 884 V CA -0.659 61.691 62.300 0.084 0.000 0.834 884 V CB 1.118 33.023 31.823 0.136 0.000 1.009 884 V HN 0.737 nan 8.190 nan 0.000 0.428 885 R N 4.635 125.155 120.500 0.032 0.000 2.296 885 R HA 0.536 4.876 4.340 -0.000 0.000 0.323 885 R C -0.941 175.347 176.300 -0.020 0.000 1.067 885 R CA -0.112 55.989 56.100 0.001 0.000 0.946 885 R CB 0.401 30.699 30.300 -0.004 0.000 0.991 885 R HN 0.696 nan 8.270 nan 0.000 0.448 886 I N 3.357 123.904 120.570 -0.039 0.000 2.382 886 I HA 0.206 4.376 4.170 -0.000 0.000 0.285 886 I C -0.592 175.479 176.117 -0.078 0.000 1.007 886 I CA -0.264 60.992 61.300 -0.073 0.000 1.142 886 I CB 2.053 40.015 38.000 -0.063 0.000 1.289 886 I HN 0.532 nan 8.210 nan 0.000 0.453 887 S N 3.803 119.445 115.700 -0.097 0.000 2.519 887 S HA 0.751 5.221 4.470 -0.000 0.000 0.309 887 S C 0.015 174.561 174.600 -0.091 0.000 1.100 887 S CA -0.716 57.435 58.200 -0.082 0.000 1.059 887 S CB 1.924 65.087 63.200 -0.062 0.000 1.008 887 S HN 0.761 nan 8.310 nan 0.000 0.478 888 G N 0.939 109.699 108.800 -0.066 0.000 2.453 888 G HA2 0.426 4.386 3.960 -0.000 0.000 0.323 888 G HA3 0.426 4.386 3.960 -0.000 0.000 0.323 888 G C 0.350 175.272 174.900 0.035 0.000 1.198 888 G CA -0.814 44.265 45.100 -0.034 0.000 0.959 888 G HN 0.771 nan 8.290 nan 0.000 0.482 889 W N 2.026 123.263 121.300 -0.104 0.000 2.318 889 W HA -0.146 4.514 4.660 -0.000 0.000 0.313 889 W C 0.771 177.271 176.519 -0.033 0.000 1.221 889 W CA 1.933 59.236 57.345 -0.070 0.000 1.266 889 W CB 0.244 29.672 29.460 -0.053 0.000 1.150 889 W HN 0.644 nan 8.180 nan 0.000 0.496 890 N N -0.504 118.336 118.700 0.234 0.000 2.416 890 N HA 0.007 4.746 4.740 -0.000 0.000 0.267 890 N C 0.169 175.694 175.510 0.025 0.000 1.294 890 N CA 0.810 53.927 53.050 0.112 0.000 0.891 890 N CB -0.431 38.180 38.487 0.207 0.000 1.238 890 N HN 0.057 nan 8.380 nan 0.000 0.508 891 T N -4.998 109.551 114.554 -0.008 0.000 3.192 891 T HA 0.451 4.801 4.350 -0.000 0.000 0.295 891 T C 0.897 175.567 174.700 -0.050 0.000 0.947 891 T CA 0.271 62.352 62.100 -0.032 0.000 0.916 891 T CB 0.298 69.144 68.868 -0.037 0.000 1.169 891 T HN 0.400 nan 8.240 nan 0.000 0.540 892 G N 1.575 110.335 108.800 -0.066 0.000 2.575 892 G HA2 -0.116 3.843 3.960 -0.000 0.000 0.267 892 G HA3 -0.116 3.843 3.960 -0.000 0.000 0.267 892 G C -0.416 174.443 174.900 -0.068 0.000 1.264 892 G CA -0.065 44.989 45.100 -0.076 0.000 0.935 892 G HN 0.913 nan 8.290 nan 0.000 0.568 893 T N 1.433 115.950 114.554 -0.062 0.000 2.879 893 T HA 0.622 4.972 4.350 -0.000 0.000 0.290 893 T C -0.050 174.624 174.700 -0.044 0.000 0.993 893 T CA 0.126 62.193 62.100 -0.054 0.000 0.975 893 T CB 1.631 70.467 68.868 -0.055 0.000 0.981 893 T HN 0.928 nan 8.240 nan 0.000 0.439 894 Q N 0.744 120.520 119.800 -0.039 0.000 2.433 894 Q HA 0.759 5.099 4.340 -0.000 0.000 0.279 894 Q C -1.175 174.812 176.000 -0.023 0.000 1.105 894 Q CA -1.019 54.767 55.803 -0.029 0.000 0.815 894 Q CB 2.243 30.965 28.738 -0.026 0.000 1.403 894 Q HN 0.586 nan 8.270 nan 0.000 0.435 895 T N -0.594 113.950 114.554 -0.016 0.000 2.847 895 T HA 0.506 4.856 4.350 -0.000 0.000 0.291 895 T C -0.196 174.503 174.700 -0.001 0.000 0.998 895 T CA -0.457 61.639 62.100 -0.008 0.000 0.967 895 T CB 0.844 69.707 68.868 -0.008 0.000 0.954 895 T HN 0.678 nan 8.240 nan 0.000 0.441 896 V N 2.895 122.813 119.914 0.007 0.000 2.567 896 V HA 0.789 4.909 4.120 -0.000 0.000 0.289 896 V C -2.415 173.689 176.094 0.017 0.000 1.049 896 V CA -2.505 59.802 62.300 0.011 0.000 0.969 896 V CB 0.721 32.553 31.823 0.014 0.000 0.995 896 V HN 0.760 nan 8.190 nan 0.000 0.471 897 P HA 0.316 nan 4.420 nan 0.000 0.272 897 P C -0.350 176.965 177.300 0.024 0.000 1.223 897 P CA -0.203 62.906 63.100 0.016 0.000 0.784 897 P CB 1.376 33.082 31.700 0.010 0.000 0.923 898 A N -0.157 122.681 122.820 0.029 0.000 3.113 898 A HA 0.631 4.951 4.320 -0.000 0.000 0.307 898 A C 0.198 177.798 177.584 0.027 0.000 1.025 898 A CA 0.436 52.495 52.037 0.035 0.000 1.012 898 A CB -0.835 18.197 19.000 0.054 0.000 1.085 898 A HN 0.725 nan 8.150 nan 0.000 0.519 899 D N 0.000 120.411 120.400 0.018 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