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 2vzu_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 AFAPDRRIEQ 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 LPVEWNANAV 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 0.000 174.933 174.900 0.055 0.000 0.946 49 G CA 0.000 45.131 45.100 0.051 0.000 0.502 50 N N 0.080 118.820 118.700 0.066 0.000 2.404 50 N HA 0.791 5.531 4.740 -0.000 0.000 0.297 50 N C -0.601 174.958 175.510 0.081 0.000 1.163 50 N CA -0.497 52.596 53.050 0.070 0.000 0.864 50 N CB 2.396 40.927 38.487 0.074 0.000 1.247 50 N HN 0.548 nan 8.380 nan 0.000 0.510 51 A N 1.025 123.894 122.820 0.082 0.000 2.497 51 A HA 0.444 4.764 4.320 -0.000 0.000 0.280 51 A C -1.090 176.550 177.584 0.094 0.000 1.065 51 A CA -0.571 51.522 52.037 0.095 0.000 0.781 51 A CB 0.869 19.921 19.000 0.087 0.000 1.289 51 A HN 0.448 nan 8.150 nan 0.000 0.415 52 T N 5.025 119.641 114.554 0.102 0.000 2.809 52 T HA 0.659 5.009 4.350 -0.000 0.000 0.284 52 T C -2.881 171.882 174.700 0.105 0.000 0.992 52 T CA -1.247 60.908 62.100 0.093 0.000 0.957 52 T CB 1.683 70.599 68.868 0.081 0.000 0.942 52 T HN 0.500 nan 8.240 nan 0.000 0.439 53 P HA 0.288 nan 4.420 nan 0.000 0.271 53 P C -0.309 177.043 177.300 0.087 0.000 1.216 53 P CA -0.506 62.661 63.100 0.112 0.000 0.776 53 P CB 0.632 32.397 31.700 0.108 0.000 0.881 54 I N 5.807 126.431 120.570 0.089 0.000 2.587 54 I HA 0.009 4.179 4.170 -0.000 0.000 0.284 54 I C -0.808 175.272 176.117 -0.063 0.000 1.134 54 I CA -1.207 60.090 61.300 -0.004 0.000 1.410 54 I CB 0.514 38.504 38.000 -0.018 0.000 1.392 54 I HN 0.319 nan 8.210 nan 0.000 0.545 55 P HA 0.132 nan 4.420 nan 0.000 0.236 55 P C 0.367 177.634 177.300 -0.056 0.000 1.177 55 P CA 0.474 63.563 63.100 -0.019 0.000 0.773 55 P CB 0.577 32.283 31.700 0.010 0.000 0.878 56 G N -1.432 107.223 108.800 -0.242 0.000 2.489 56 G HA2 0.504 4.464 3.960 -0.000 0.000 0.291 56 G HA3 0.504 4.464 3.960 -0.000 0.000 0.291 56 G C -2.252 172.352 174.900 -0.493 0.000 1.487 56 G CA -0.591 44.391 45.100 -0.196 0.000 0.795 56 G HN -0.101 nan 8.290 nan 0.000 0.513 57 Y N -1.236 119.181 120.300 0.196 0.000 2.609 57 Y HA 0.670 5.220 4.550 -0.000 0.000 0.342 57 Y C 0.383 176.405 175.900 0.204 0.000 1.058 57 Y CA -1.120 57.115 58.100 0.226 0.000 1.055 57 Y CB 2.429 41.067 38.460 0.296 0.000 1.292 57 Y HN 0.608 nan 8.280 nan 0.000 0.476 58 V N 1.473 121.632 119.914 0.409 0.000 2.483 58 V HA 0.781 4.901 4.120 -0.000 0.000 0.295 58 V C -0.379 176.068 176.094 0.589 0.000 1.035 58 V CA -0.834 61.727 62.300 0.434 0.000 0.896 58 V CB 1.146 33.188 31.823 0.365 0.000 0.986 58 V HN 0.737 nan 8.190 nan 0.000 0.447 59 I N 1.288 122.150 120.570 0.486 0.000 2.892 59 I HA 0.998 5.168 4.170 -0.000 0.000 0.306 59 I C -0.771 175.448 176.117 0.170 0.000 1.078 59 I CA -0.807 60.684 61.300 0.318 0.000 1.032 59 I CB 2.354 40.333 38.000 -0.034 0.000 1.229 59 I HN 0.739 nan 8.210 nan 0.000 0.435 60 Q N 2.446 122.102 119.800 -0.241 0.000 2.594 60 Q HA 0.331 4.670 4.340 -0.000 0.000 0.278 60 Q C -1.187 174.199 176.000 -1.022 0.000 0.961 60 Q CA -0.402 54.896 55.803 -0.841 0.000 0.844 60 Q CB 2.233 29.741 28.738 -2.049 0.000 1.475 60 Q HN 0.916 nan 8.270 nan 0.000 0.389 61 S N 0.431 115.031 115.700 -1.833 0.000 2.558 61 S HA 0.093 4.563 4.470 -0.000 0.000 0.288 61 S C 0.876 175.086 174.600 -0.650 0.000 1.318 61 S CA 0.693 57.886 58.200 -1.678 0.000 1.056 61 S CB 0.191 62.611 63.200 -1.300 0.000 0.853 61 S HN 0.756 nan 8.310 nan 0.000 0.505 62 S N 4.064 119.546 115.700 -0.363 0.000 2.547 62 S HA 0.000 4.470 4.470 -0.000 0.000 0.235 62 S C 1.854 176.415 174.600 -0.064 0.000 0.980 62 S CA 0.512 58.710 58.200 -0.003 0.000 0.941 62 S CB -0.579 62.586 63.200 -0.058 0.000 0.763 62 S HN 0.921 nan 8.310 nan 0.000 0.532 63 A N 1.685 124.388 122.820 -0.194 0.000 1.978 63 A HA -0.090 4.230 4.320 -0.000 0.000 0.220 63 A C 2.167 179.686 177.584 -0.109 0.000 1.170 63 A CA 1.169 53.120 52.037 -0.143 0.000 0.636 63 A CB -0.412 18.483 19.000 -0.176 0.000 0.810 63 A HN 0.548 nan 8.150 nan 0.000 0.448 64 Q N -0.486 119.223 119.800 -0.152 0.000 2.280 64 Q HA 0.191 4.530 4.340 -0.000 0.000 0.202 64 Q C -0.666 175.364 176.000 0.050 0.000 0.903 64 Q CA 0.260 56.020 55.803 -0.071 0.000 0.948 64 Q CB 0.290 28.947 28.738 -0.135 0.000 1.058 64 Q HN 0.366 nan 8.270 nan 0.000 0.493 65 V N 1.683 121.630 119.914 0.055 0.000 2.409 65 V HA 0.108 4.228 4.120 -0.000 0.000 0.290 65 V C 1.006 177.130 176.094 0.051 0.000 1.017 65 V CA -0.134 62.211 62.300 0.074 0.000 0.841 65 V CB 1.626 33.438 31.823 -0.019 0.000 1.003 65 V HN 0.203 nan 8.190 nan 0.000 0.426 66 S N 1.562 117.282 115.700 0.032 0.000 2.496 66 S HA 0.051 4.521 4.470 -0.000 0.000 0.224 66 S C 0.484 175.085 174.600 0.002 0.000 0.996 66 S CA 0.536 58.748 58.200 0.020 0.000 0.927 66 S CB 0.096 63.306 63.200 0.016 0.000 0.774 66 S HN 0.732 nan 8.310 nan 0.000 0.524 67 D N 0.496 120.869 120.400 -0.046 0.000 2.402 67 D HA 0.334 4.974 4.640 -0.000 0.000 0.252 67 D C -0.414 175.735 176.300 -0.251 0.000 1.294 67 D CA -0.459 53.483 54.000 -0.097 0.000 0.948 67 D CB 1.373 42.122 40.800 -0.084 0.000 1.202 67 D HN -0.223 nan 8.370 nan 0.000 0.561 68 D N 0.931 121.212 120.400 -0.199 0.000 2.158 68 D HA -0.189 4.451 4.640 -0.000 0.000 0.197 68 D C 1.979 177.613 176.300 -1.110 0.000 0.995 68 D CA 1.633 55.401 54.000 -0.386 0.000 0.846 68 D CB 0.025 40.819 40.800 -0.010 0.000 0.941 68 D HN 0.507 nan 8.370 nan 0.000 0.456 69 S N 0.067 115.217 115.700 -0.916 0.000 2.442 69 S HA -0.085 4.385 4.470 -0.000 0.000 0.236 69 S C 2.026 176.267 174.600 -0.597 0.000 1.007 69 S CA 1.090 58.776 58.200 -0.857 0.000 0.965 69 S CB -0.217 62.881 63.200 -0.171 0.000 0.773 69 S HN 0.244 nan 8.310 nan 0.000 0.504 70 A N 1.141 123.614 122.820 -0.578 0.000 2.067 70 A HA 0.236 4.556 4.320 -0.000 0.000 0.217 70 A C 2.272 179.334 177.584 -0.869 0.000 1.156 70 A CA 1.029 52.778 52.037 -0.480 0.000 0.683 70 A CB -0.749 18.110 19.000 -0.234 0.000 0.808 70 A HN 0.456 nan 8.150 nan 0.000 0.455 71 V N 0.952 120.062 119.914 -1.340 0.000 2.343 71 V HA -0.205 3.915 4.120 -0.000 0.000 0.247 71 V C 2.650 178.219 176.094 -0.875 0.000 1.051 71 V CA 2.260 63.495 62.300 -1.775 0.000 1.036 71 V CB -0.802 29.882 31.823 -1.899 0.000 0.654 71 V HN 0.760 nan 8.190 nan 0.000 0.451 72 S N -1.418 113.970 115.700 -0.520 0.000 2.575 72 S HA 0.137 4.607 4.470 -0.000 0.000 0.215 72 S C 0.610 175.164 174.600 -0.078 0.000 0.966 72 S CA -0.239 57.860 58.200 -0.167 0.000 0.911 72 S CB -0.349 62.871 63.200 0.032 0.000 0.780 72 S HN 0.572 nan 8.310 nan 0.000 0.514 73 K N 2.907 123.235 120.400 -0.121 0.000 2.297 73 K HA 0.311 4.631 4.320 -0.000 0.000 0.286 73 K C -2.855 173.756 176.600 0.018 0.000 1.053 73 K CA -2.078 54.198 56.287 -0.019 0.000 0.940 73 K CB 0.309 32.793 32.500 -0.026 0.000 1.019 73 K HN 0.104 nan 8.250 nan 0.000 0.475 74 P HA -0.104 nan 4.420 nan 0.000 0.261 74 P C 0.645 177.962 177.300 0.028 0.000 1.183 74 P CA 0.973 64.105 63.100 0.053 0.000 0.761 74 P CB 0.561 32.322 31.700 0.101 0.000 0.785 75 G N 2.804 111.609 108.800 0.008 0.000 2.213 75 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.236 75 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.236 75 G C 0.119 174.991 174.900 -0.046 0.000 0.991 75 G CA -0.498 44.587 45.100 -0.026 0.000 0.629 75 G HN 0.554 nan 8.290 nan 0.000 0.517 76 F N 4.872 124.720 119.950 -0.169 0.000 2.612 76 F HA 0.432 4.959 4.527 -0.000 0.000 0.389 76 F C -0.915 174.712 175.800 -0.288 0.000 1.055 76 F CA -1.203 56.656 58.000 -0.236 0.000 1.232 76 F CB 0.413 39.233 39.000 -0.300 0.000 1.044 76 F HN 0.103 nan 8.300 nan 0.000 0.560 77 P HA 0.146 nan 4.420 nan 0.000 0.276 77 P C -0.440 176.225 177.300 -1.058 0.000 1.230 77 P CA -0.268 62.376 63.100 -0.760 0.000 0.776 77 P CB 1.064 32.437 31.700 -0.545 0.000 0.888 78 T N -2.457 111.646 114.554 -0.751 0.000 3.442 78 T HA 0.143 4.493 4.350 -0.000 0.000 0.295 78 T C 0.419 174.898 174.700 -0.367 0.000 1.007 78 T CA -0.469 61.034 62.100 -0.996 0.000 0.962 78 T CB -0.678 67.633 68.868 -0.929 0.000 1.187 78 T HN 0.344 nan 8.240 nan 0.000 0.490 79 S N 0.987 116.557 115.700 -0.217 0.000 2.544 79 S HA 0.423 4.893 4.470 -0.000 0.000 0.290 79 S C 1.809 176.448 174.600 0.064 0.000 1.276 79 S CA 1.164 59.322 58.200 -0.069 0.000 1.075 79 S CB -0.604 62.540 63.200 -0.093 0.000 0.849 79 S HN 1.570 nan 8.310 nan 0.000 0.494 80 G N 4.064 112.869 108.800 0.008 0.000 2.179 80 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.260 80 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.260 80 G C -0.035 174.744 174.900 -0.202 0.000 0.977 80 G CA 0.199 45.251 45.100 -0.080 0.000 0.641 80 G HN 0.653 nan 8.290 nan 0.000 0.533 81 W N 0.360 121.477 121.300 -0.304 0.000 2.150 81 W HA 0.640 5.300 4.660 -0.000 0.000 0.341 81 W C 0.452 176.780 176.519 -0.318 0.000 1.276 81 W CA -0.516 56.668 57.345 -0.269 0.000 1.238 81 W CB 0.043 29.472 29.460 -0.051 0.000 1.128 81 W HN 0.129 nan 8.180 nan 0.000 0.581 82 Y N 3.439 123.907 120.300 0.279 0.000 2.367 82 Y HA 0.257 4.807 4.550 -0.000 0.000 0.342 82 Y C -1.614 174.405 175.900 0.198 0.000 0.979 82 Y CA -2.889 55.330 58.100 0.199 0.000 1.161 82 Y CB -0.003 38.562 38.460 0.175 0.000 1.155 82 Y HN -0.004 nan 8.280 nan 0.000 0.503 83 P HA 0.120 nan 4.420 nan 0.000 0.276 83 P C -0.717 176.710 177.300 0.212 0.000 1.235 83 P CA 0.009 63.240 63.100 0.217 0.000 0.772 83 P CB 1.392 33.181 31.700 0.149 0.000 0.871 84 V N 0.401 120.448 119.914 0.221 0.000 3.040 84 V HA 0.630 4.750 4.120 -0.000 0.000 0.312 84 V C -0.025 176.205 176.094 0.228 0.000 1.115 84 V CA -0.891 61.536 62.300 0.212 0.000 0.998 84 V CB 1.760 33.712 31.823 0.214 0.000 1.042 84 V HN 0.438 nan 8.190 nan 0.000 0.433 85 S N 1.508 117.332 115.700 0.206 0.000 2.608 85 S HA 0.363 4.833 4.470 -0.000 0.000 0.261 85 S C 0.481 175.262 174.600 0.301 0.000 1.314 85 S CA -0.006 58.319 58.200 0.208 0.000 0.992 85 S CB 1.064 64.373 63.200 0.182 0.000 0.935 85 S HN 1.189 nan 8.310 nan 0.000 0.564 86 S N 0.303 116.164 115.700 0.267 0.000 2.566 86 S HA 0.092 4.562 4.470 -0.000 0.000 0.280 86 S C 0.580 175.358 174.600 0.296 0.000 1.343 86 S CA 0.011 58.410 58.200 0.331 0.000 1.036 86 S CB -0.321 63.020 63.200 0.235 0.000 0.866 86 S HN 0.683 nan 8.310 nan 0.000 0.526 87 R N 0.454 121.111 120.500 0.261 0.000 3.656 87 R HA -0.116 4.224 4.340 -0.000 0.000 0.297 87 R C -0.713 175.716 176.300 0.215 0.000 1.166 87 R CA 0.732 56.948 56.100 0.193 0.000 0.799 87 R CB -2.798 27.621 30.300 0.199 0.000 1.285 87 R HN 0.479 nan 8.270 nan 0.000 0.477 88 S N 0.936 116.781 115.700 0.242 0.000 2.457 88 S HA 0.310 4.780 4.470 -0.000 0.000 0.289 88 S C 0.828 175.559 174.600 0.218 0.000 1.163 88 S CA -0.446 57.893 58.200 0.232 0.000 1.078 88 S CB 1.801 65.151 63.200 0.249 0.000 0.987 88 S HN 0.304 nan 8.310 nan 0.000 0.482 89 T N -0.066 114.582 114.554 0.157 0.000 2.802 89 T HA 0.212 4.561 4.350 -0.000 0.000 0.305 89 T C 1.491 176.241 174.700 0.083 0.000 1.053 89 T CA -0.748 61.419 62.100 0.111 0.000 1.058 89 T CB 0.287 69.217 68.868 0.104 0.000 0.988 89 T HN 0.202 nan 8.240 nan 0.000 0.539 90 V N 1.022 120.918 119.914 -0.030 0.000 2.261 90 V HA -0.138 3.982 4.120 -0.000 0.000 0.246 90 V C 2.163 178.102 176.094 -0.259 0.000 1.047 90 V CA 1.988 64.144 62.300 -0.241 0.000 1.015 90 V CB -1.297 30.136 31.823 -0.650 0.000 0.642 90 V HN 0.920 nan 8.190 nan 0.000 0.446 91 Y N 1.457 121.481 120.300 -0.459 0.000 2.181 91 Y HA -0.210 4.340 4.550 -0.000 0.000 0.288 91 Y C 2.361 178.114 175.900 -0.244 0.000 1.146 91 Y CA 1.235 59.089 58.100 -0.411 0.000 1.164 91 Y CB -0.765 37.350 38.460 -0.575 0.000 0.982 91 Y HN 0.154 nan 8.280 nan 0.000 0.515 92 A N -0.026 122.643 122.820 -0.251 0.000 1.933 92 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 92 A C 2.539 180.032 177.584 -0.151 0.000 1.175 92 A CA 1.725 53.627 52.037 -0.226 0.000 0.628 92 A CB -1.639 17.373 19.000 0.019 0.000 0.814 92 A HN 0.572 nan 8.150 nan 0.000 0.444 93 G N -0.169 108.586 108.800 -0.074 0.000 2.418 93 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.217 93 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.217 93 G C 1.531 176.385 174.900 -0.076 0.000 1.158 93 G CA 1.014 46.100 45.100 -0.023 0.000 0.771 93 G HN 0.447 nan 8.290 nan 0.000 0.545 94 L N -0.082 121.048 121.223 -0.155 0.000 2.083 94 L HA 0.014 4.354 4.340 -0.000 0.000 0.209 94 L C 2.869 179.661 176.870 -0.129 0.000 1.083 94 L CA 0.443 55.183 54.840 -0.166 0.000 0.752 94 L CB -0.394 41.672 42.059 0.011 0.000 0.899 94 L HN 0.178 nan 8.230 nan 0.000 0.433 95 L N -0.819 120.261 121.223 -0.238 0.000 2.046 95 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 95 L C 2.712 179.506 176.870 -0.127 0.000 1.077 95 L CA 1.216 55.910 54.840 -0.242 0.000 0.747 95 L CB -0.557 41.229 42.059 -0.455 0.000 0.896 95 L HN 0.341 nan 8.230 nan 0.000 0.432 96 Q N -0.015 119.731 119.800 -0.090 0.000 2.197 96 Q HA -0.190 4.150 4.340 -0.000 0.000 0.207 96 Q C 1.301 177.309 176.000 0.014 0.000 0.984 96 Q CA 1.191 56.982 55.803 -0.019 0.000 0.869 96 Q CB -0.050 28.703 28.738 0.025 0.000 0.906 96 Q HN 0.561 nan 8.270 nan 0.000 0.426 97 N N -1.596 117.118 118.700 0.022 0.000 2.268 97 N HA 0.051 4.791 4.740 -0.000 0.000 0.204 97 N C 0.608 176.138 175.510 0.034 0.000 1.124 97 N CA 0.801 53.896 53.050 0.075 0.000 0.838 97 N CB 1.511 40.121 38.487 0.206 0.000 0.994 97 N HN 0.358 nan 8.380 nan 0.000 0.489 98 G N 0.718 109.508 108.800 -0.016 0.000 2.231 98 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.206 98 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.206 98 G C 1.055 175.914 174.900 -0.069 0.000 0.996 98 G CA -0.194 44.889 45.100 -0.027 0.000 0.645 98 G HN 0.161 nan 8.290 nan 0.000 0.498 99 K N -0.881 119.437 120.400 -0.137 0.000 2.399 99 K HA 0.387 4.707 4.320 -0.000 0.000 0.196 99 K C -0.229 176.012 176.600 -0.598 0.000 1.117 99 K CA 0.496 56.585 56.287 -0.331 0.000 0.965 99 K CB 0.600 32.882 32.500 -0.363 0.000 0.983 99 K HN 0.396 nan 8.250 nan 0.000 0.531 100 Y N -0.400 119.913 120.300 0.022 0.000 2.581 100 Y HA 0.504 5.054 4.550 -0.000 0.000 0.345 100 Y C 0.033 175.958 175.900 0.041 0.000 1.036 100 Y CA -1.441 56.698 58.100 0.065 0.000 1.042 100 Y CB 1.301 39.857 38.460 0.160 0.000 1.289 100 Y HN -0.103 nan 8.280 nan 0.000 0.471 101 A N 0.526 123.494 122.820 0.246 0.000 2.386 101 A HA 0.168 4.488 4.320 -0.000 0.000 0.246 101 A C -0.240 177.451 177.584 0.178 0.000 1.089 101 A CA -0.211 51.929 52.037 0.172 0.000 0.790 101 A CB -0.078 19.031 19.000 0.183 0.000 1.042 101 A HN 0.720 nan 8.150 nan 0.000 0.497 102 D N 0.830 121.323 120.400 0.155 0.000 2.412 102 D HA 0.116 4.756 4.640 -0.000 0.000 0.257 102 D C -1.289 175.188 176.300 0.296 0.000 1.217 102 D CA -1.467 52.627 54.000 0.157 0.000 0.897 102 D CB 0.779 41.673 40.800 0.155 0.000 1.132 102 D HN 0.178 nan 8.370 nan 0.000 0.493 103 P HA -0.096 nan 4.420 nan 0.000 0.230 103 P C 1.083 178.886 177.300 0.839 0.000 1.158 103 P CA 0.377 63.803 63.100 0.544 0.000 0.769 103 P CB 0.053 32.067 31.700 0.523 0.000 0.807 104 F N -1.441 118.772 119.950 0.438 0.000 2.661 104 F HA 0.067 4.594 4.527 -0.000 0.000 0.298 104 F C 1.093 177.036 175.800 0.238 0.000 1.137 104 F CA -0.451 57.748 58.000 0.332 0.000 1.454 104 F CB -1.146 37.997 39.000 0.239 0.000 1.103 104 F HN -0.084 nan 8.300 nan 0.000 0.577 105 Y N 0.176 120.689 120.300 0.355 0.000 2.342 105 Y HA 0.450 5.000 4.550 -0.000 0.000 0.338 105 Y C 0.875 176.927 175.900 0.252 0.000 0.965 105 Y CA -0.340 57.873 58.100 0.188 0.000 1.159 105 Y CB 0.695 39.246 38.460 0.152 0.000 1.157 105 Y HN 0.060 nan 8.280 nan 0.000 0.486 106 S N 2.910 118.350 115.700 -0.432 0.000 3.762 106 S HA -0.319 4.151 4.470 -0.000 0.000 0.627 106 S C 0.934 175.630 174.600 0.159 0.000 2.389 106 S CA 2.150 60.161 58.200 -0.315 0.000 3.978 106 S CB -1.681 61.049 63.200 -0.784 0.000 0.234 106 S HN 1.305 nan 8.310 nan 0.000 0.960 107 T N -0.166 114.376 114.554 -0.020 0.000 3.223 107 T HA 0.368 4.718 4.350 -0.000 0.000 0.259 107 T C 1.089 175.781 174.700 -0.013 0.000 1.015 107 T CA 0.497 62.503 62.100 -0.157 0.000 0.908 107 T CB -0.347 68.315 68.868 -0.342 0.000 1.054 107 T HN 0.465 nan 8.240 nan 0.000 0.567 108 N N 1.931 120.725 118.700 0.156 0.000 2.091 108 N HA -0.138 4.602 4.740 -0.000 0.000 0.193 108 N C 1.539 177.157 175.510 0.181 0.000 1.021 108 N CA 1.465 54.636 53.050 0.201 0.000 0.862 108 N CB -0.367 38.298 38.487 0.297 0.000 1.018 108 N HN 0.489 nan 8.380 nan 0.000 0.429 109 M N 0.700 120.461 119.600 0.270 0.000 2.213 109 M HA -0.157 4.323 4.480 -0.000 0.000 0.263 109 M C 1.716 178.049 176.300 0.055 0.000 1.062 109 M CA 1.391 56.823 55.300 0.220 0.000 1.105 109 M CB 0.033 32.880 32.600 0.413 0.000 1.385 109 M HN 0.139 nan 8.290 nan 0.000 0.417 110 Q N -0.147 119.651 119.800 -0.003 0.000 2.291 110 Q HA -0.113 4.227 4.340 -0.000 0.000 0.205 110 Q C 0.947 176.906 176.000 -0.068 0.000 0.970 110 Q CA 0.870 56.621 55.803 -0.087 0.000 0.876 110 Q CB -0.060 28.526 28.738 -0.254 0.000 0.935 110 Q HN 0.586 nan 8.270 nan 0.000 0.455 111 N N -0.214 118.463 118.700 -0.038 0.000 2.467 111 N HA -0.001 4.739 4.740 -0.000 0.000 0.184 111 N C -0.259 175.230 175.510 -0.035 0.000 1.106 111 N CA 0.226 53.270 53.050 -0.010 0.000 0.892 111 N CB 0.417 38.930 38.487 0.043 0.000 0.969 111 N HN -0.033 nan 8.380 nan 0.000 0.454 112 V N 3.391 123.218 119.914 -0.146 0.000 2.439 112 V HA 0.140 4.260 4.120 -0.000 0.000 0.271 112 V C -1.945 174.038 176.094 -0.186 0.000 1.040 112 V CA -1.409 60.683 62.300 -0.347 0.000 1.002 112 V CB 0.406 31.860 31.823 -0.615 0.000 1.000 112 V HN -0.015 nan 8.190 nan 0.000 0.477 113 P HA 0.122 nan 4.420 nan 0.000 0.263 113 P C 0.494 177.737 177.300 -0.094 0.000 1.195 113 P CA 0.166 63.224 63.100 -0.071 0.000 0.762 113 P CB 0.922 32.601 31.700 -0.035 0.000 0.799 114 A N 4.211 127.011 122.820 -0.032 0.000 1.975 114 A HA 0.099 4.419 4.320 -0.000 0.000 0.215 114 A C 2.058 179.642 177.584 -0.001 0.000 1.170 114 A CA 1.230 53.306 52.037 0.064 0.000 0.656 114 A CB -1.127 17.907 19.000 0.057 0.000 0.821 114 A HN 0.501 nan 8.150 nan 0.000 0.449 115 A N 0.899 123.687 122.820 -0.052 0.000 1.978 115 A HA -0.254 4.066 4.320 -0.000 0.000 0.220 115 A C 2.140 179.676 177.584 -0.079 0.000 1.170 115 A CA 1.759 53.773 52.037 -0.039 0.000 0.636 115 A CB -0.740 18.240 19.000 -0.032 0.000 0.810 115 A HN 0.796 nan 8.150 nan 0.000 0.448 116 Q N -1.756 117.902 119.800 -0.236 0.000 2.291 116 Q HA -0.114 4.226 4.340 -0.000 0.000 0.206 116 Q C 0.707 176.643 176.000 -0.107 0.000 0.976 116 Q CA 1.444 57.090 55.803 -0.262 0.000 0.875 116 Q CB -0.461 28.041 28.738 -0.392 0.000 0.927 116 Q HN 0.600 nan 8.270 nan 0.000 0.450 117 F N 1.188 121.253 119.950 0.191 0.000 2.660 117 F HA 0.242 4.769 4.527 -0.000 0.000 0.302 117 F C 1.505 177.370 175.800 0.107 0.000 1.103 117 F CA -0.035 58.048 58.000 0.138 0.000 1.340 117 F CB 0.435 39.409 39.000 -0.044 0.000 1.048 117 F HN 0.165 nan 8.300 nan 0.000 0.551 118 S N -0.680 115.140 115.700 0.199 0.000 2.575 118 S HA 0.290 4.759 4.470 -0.000 0.000 0.215 118 S C 0.347 175.013 174.600 0.111 0.000 0.966 118 S CA 0.107 58.386 58.200 0.131 0.000 0.911 118 S CB -0.927 62.320 63.200 0.077 0.000 0.780 118 S HN 0.043 nan 8.310 nan 0.000 0.514 119 V N -3.103 116.893 119.914 0.137 0.000 3.046 119 V HA 0.743 4.863 4.120 -0.000 0.000 0.316 119 V C -3.272 172.878 176.094 0.093 0.000 1.104 119 V CA -3.187 59.148 62.300 0.059 0.000 1.006 119 V CB 1.091 32.907 31.823 -0.011 0.000 1.058 119 V HN -0.114 nan 8.190 nan 0.000 0.440 120 P HA 0.191 nan 4.420 nan 0.000 0.270 120 P C -1.459 175.838 177.300 -0.005 0.000 1.223 120 P CA 0.325 63.310 63.100 -0.192 0.000 0.785 120 P CB 0.244 31.514 31.700 -0.717 0.000 0.923 121 W N 1.096 122.302 121.300 -0.156 0.000 2.666 121 W HA 0.396 5.056 4.660 -0.000 0.000 0.334 121 W C -0.843 175.657 176.519 -0.031 0.000 1.051 121 W CA 0.234 57.560 57.345 -0.032 0.000 1.224 121 W CB 0.782 30.316 29.460 0.124 0.000 1.405 121 W HN 0.395 nan 8.180 nan 0.000 0.513 122 W N 2.701 124.127 121.300 0.210 0.000 2.272 122 W HA 0.349 5.009 4.660 -0.000 0.000 0.318 122 W C -0.681 176.090 176.519 0.420 0.000 1.255 122 W CA -0.360 57.169 57.345 0.308 0.000 1.200 122 W CB 0.405 30.012 29.460 0.245 0.000 1.170 122 W HN 0.137 nan 8.180 nan 0.000 0.549 123 Y N 3.385 124.033 120.300 0.581 0.000 2.345 123 Y HA 0.408 4.957 4.550 -0.000 0.000 0.331 123 Y C 0.314 176.579 175.900 0.610 0.000 0.959 123 Y CA -1.068 57.294 58.100 0.436 0.000 1.204 123 Y CB 1.152 39.594 38.460 -0.029 0.000 1.135 123 Y HN 0.242 nan 8.280 nan 0.000 0.477 124 R N 2.187 123.128 120.500 0.734 0.000 2.686 124 R HA 0.683 5.023 4.340 -0.000 0.000 0.286 124 R C -1.453 175.143 176.300 0.494 0.000 0.969 124 R CA -0.365 56.075 56.100 0.566 0.000 0.898 124 R CB 2.217 32.716 30.300 0.331 0.000 1.183 124 R HN 0.663 nan 8.270 nan 0.000 0.456 125 T N 1.434 116.209 114.554 0.368 0.000 2.894 125 T HA 0.292 4.642 4.350 -0.000 0.000 0.309 125 T C -1.478 173.296 174.700 0.122 0.000 1.208 125 T CA -0.733 61.488 62.100 0.201 0.000 1.016 125 T CB 1.397 70.335 68.868 0.118 0.000 1.192 125 T HN 0.532 nan 8.240 nan 0.000 0.491 126 D N 2.285 122.725 120.400 0.066 0.000 2.283 126 D HA 0.508 5.148 4.640 -0.000 0.000 0.248 126 D C -0.317 176.009 176.300 0.043 0.000 1.072 126 D CA -0.097 53.932 54.000 0.047 0.000 0.929 126 D CB 1.158 41.976 40.800 0.030 0.000 1.182 126 D HN 0.385 nan 8.370 nan 0.000 0.433 127 L N 1.620 122.865 121.223 0.036 0.000 2.409 127 L HA 0.324 4.664 4.340 -0.000 0.000 0.272 127 L C -0.262 176.620 176.870 0.021 0.000 0.980 127 L CA -0.798 54.060 54.840 0.031 0.000 0.826 127 L CB 1.726 43.804 42.059 0.032 0.000 1.268 127 L HN 0.103 nan 8.230 nan 0.000 0.407 128 N N 1.813 120.529 118.700 0.027 0.000 2.430 128 N HA 0.338 5.078 4.740 -0.000 0.000 0.265 128 N C -0.931 174.595 175.510 0.027 0.000 1.100 128 N CA -0.302 52.765 53.050 0.029 0.000 0.961 128 N CB 1.757 40.263 38.487 0.032 0.000 1.075 128 N HN 0.183 nan 8.380 nan 0.000 0.478 129 V N 2.729 122.658 119.914 0.024 0.000 2.326 129 V HA 0.080 4.200 4.120 -0.000 0.000 0.281 129 V C 0.481 176.597 176.094 0.037 0.000 1.015 129 V CA -0.617 61.697 62.300 0.023 0.000 0.823 129 V CB 1.341 33.161 31.823 -0.004 0.000 1.009 129 V HN 0.720 nan 8.190 nan 0.000 0.436 130 D N 3.332 123.754 120.400 0.037 0.000 2.106 130 D HA -0.110 4.530 4.640 -0.000 0.000 0.191 130 D C 0.578 176.901 176.300 0.039 0.000 0.997 130 D CA 2.240 56.262 54.000 0.038 0.000 0.834 130 D CB 0.364 41.186 40.800 0.036 0.000 0.956 130 D HN 0.899 nan 8.370 nan 0.000 0.448 131 D N -3.373 117.050 120.400 0.038 0.000 2.622 131 D HA 0.114 4.753 4.640 -0.000 0.000 0.255 131 D C -0.386 175.936 176.300 0.036 0.000 1.246 131 D CA -0.590 53.433 54.000 0.039 0.000 0.795 131 D CB 0.906 41.727 40.800 0.035 0.000 1.369 131 D HN -0.129 nan 8.370 nan 0.000 0.425 132 T N -1.951 112.625 114.554 0.036 0.000 3.243 132 T HA 0.260 4.610 4.350 -0.000 0.000 0.264 132 T C 0.791 175.508 174.700 0.028 0.000 1.000 132 T CA -0.161 61.956 62.100 0.029 0.000 0.901 132 T CB -0.280 68.607 68.868 0.031 0.000 1.083 132 T HN 0.212 nan 8.240 nan 0.000 0.559 133 S N 1.423 117.142 115.700 0.032 0.000 2.402 133 S HA 0.073 4.543 4.470 -0.000 0.000 0.229 133 S C 1.153 175.776 174.600 0.039 0.000 1.021 133 S CA 0.196 58.416 58.200 0.033 0.000 0.974 133 S CB -0.044 63.176 63.200 0.034 0.000 0.800 133 S HN 0.590 nan 8.310 nan 0.000 0.484 134 S N 1.226 116.953 115.700 0.045 0.000 2.610 134 S HA 0.366 4.836 4.470 -0.000 0.000 0.273 134 S C 0.322 174.954 174.600 0.054 0.000 1.274 134 S CA -0.661 57.576 58.200 0.062 0.000 1.023 134 S CB 0.795 64.040 63.200 0.074 0.000 0.962 134 S HN 0.303 nan 8.310 nan 0.000 0.523 135 R N 0.954 121.502 120.500 0.081 0.000 2.679 135 R HA 0.356 4.696 4.340 -0.000 0.000 0.269 135 R C -0.400 175.909 176.300 0.015 0.000 1.076 135 R CA -0.001 56.114 56.100 0.024 0.000 1.160 135 R CB 0.274 30.624 30.300 0.083 0.000 1.054 135 R HN 0.479 nan 8.270 nan 0.000 0.507 136 T N 1.971 116.405 114.554 -0.199 0.000 2.848 136 T HA 0.442 4.792 4.350 -0.000 0.000 0.285 136 T C -1.173 173.319 174.700 -0.347 0.000 0.995 136 T CA -0.653 61.380 62.100 -0.112 0.000 0.970 136 T CB 0.663 69.499 68.868 -0.053 0.000 0.976 136 T HN 0.348 nan 8.240 nan 0.000 0.441 137 Y N 1.203 121.553 120.300 0.083 0.000 2.499 137 Y HA 0.617 5.167 4.550 -0.000 0.000 0.347 137 Y C -0.238 175.754 175.900 0.154 0.000 0.987 137 Y CA -1.408 56.757 58.100 0.108 0.000 1.044 137 Y CB 1.507 40.026 38.460 0.099 0.000 1.245 137 Y HN 0.388 nan 8.280 nan 0.000 0.461 138 L N 2.939 124.371 121.223 0.348 0.000 2.282 138 L HA 0.433 4.773 4.340 -0.000 0.000 0.288 138 L C -0.956 176.203 176.870 0.482 0.000 1.033 138 L CA -0.396 54.698 54.840 0.425 0.000 0.807 138 L CB 1.152 43.491 42.059 0.467 0.000 1.209 138 L HN 0.605 nan 8.230 nan 0.000 0.423 139 D N 4.323 124.992 120.400 0.449 0.000 2.620 139 D HA 0.573 5.213 4.640 -0.000 0.000 0.252 139 D C -1.210 175.308 176.300 0.363 0.000 1.207 139 D CA -0.163 54.007 54.000 0.283 0.000 0.884 139 D CB 1.161 42.066 40.800 0.174 0.000 1.262 139 D HN 0.244 nan 8.370 nan 0.000 0.552 140 F N 0.861 120.920 119.950 0.182 0.000 2.719 140 F HA 0.739 5.266 4.527 -0.000 0.000 0.309 140 F C -1.088 174.802 175.800 0.150 0.000 1.138 140 F CA -0.873 57.221 58.000 0.156 0.000 0.943 140 F CB 0.819 39.922 39.000 0.172 0.000 1.304 140 F HN 0.205 nan 8.300 nan 0.000 0.445 141 S N -0.598 115.237 115.700 0.226 0.000 2.819 141 S HA 0.823 5.293 4.470 -0.000 0.000 0.299 141 S C 0.211 174.918 174.600 0.179 0.000 1.192 141 S CA -0.572 57.723 58.200 0.159 0.000 0.847 141 S CB 0.969 64.203 63.200 0.058 0.000 1.224 141 S HN 2.601 nan 8.310 nan 0.000 0.537 142 G N -0.642 108.201 108.800 0.070 0.000 2.131 142 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.223 142 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.223 142 G C 0.002 174.867 174.900 -0.058 0.000 0.990 142 G CA -0.035 45.050 45.100 -0.024 0.000 0.671 142 G HN 1.842 nan 8.290 nan 0.000 0.521 143 V N 1.927 121.843 119.914 0.003 0.000 2.406 143 V HA 0.742 4.862 4.120 -0.000 0.000 0.272 143 V C 0.286 176.338 176.094 -0.072 0.000 1.043 143 V CA -0.898 61.367 62.300 -0.059 0.000 0.915 143 V CB 0.886 32.684 31.823 -0.042 0.000 0.988 143 V HN 0.356 nan 8.190 nan 0.000 0.466 144 L N 6.755 127.916 121.223 -0.103 0.000 2.298 144 L HA 0.497 4.837 4.340 -0.000 0.000 0.284 144 L C 0.976 177.820 176.870 -0.042 0.000 1.013 144 L CA -0.248 54.544 54.840 -0.080 0.000 0.824 144 L CB 1.562 43.570 42.059 -0.085 0.000 1.221 144 L HN 0.835 nan 8.230 nan 0.000 0.418 145 S N 1.682 117.379 115.700 -0.005 0.000 2.502 145 S HA 0.155 4.624 4.470 -0.000 0.000 0.215 145 S C 0.318 174.889 174.600 -0.049 0.000 1.009 145 S CA -0.177 57.997 58.200 -0.042 0.000 0.908 145 S CB 0.261 63.434 63.200 -0.046 0.000 0.801 145 S HN 0.788 nan 8.310 nan 0.000 0.505 146 K N -0.678 119.719 120.400 -0.006 0.000 2.736 146 K HA 0.698 5.018 4.320 -0.000 0.000 0.290 146 K C -1.934 174.715 176.600 0.081 0.000 1.033 146 K CA -0.896 55.374 56.287 -0.029 0.000 0.852 146 K CB 0.790 33.196 32.500 -0.157 0.000 1.494 146 K HN 0.253 nan 8.250 nan 0.000 0.378 147 A N 1.188 124.054 122.820 0.076 0.000 2.574 147 A HA 0.511 4.831 4.320 -0.000 0.000 0.297 147 A C -1.783 175.884 177.584 0.137 0.000 1.062 147 A CA -0.884 51.276 52.037 0.205 0.000 0.686 147 A CB 1.369 20.502 19.000 0.222 0.000 1.285 147 A HN 0.677 nan 8.150 nan 0.000 0.403 148 D N 0.962 121.491 120.400 0.215 0.000 2.302 148 D HA 0.440 5.080 4.640 -0.000 0.000 0.248 148 D C -0.397 175.947 176.300 0.074 0.000 1.094 148 D CA 0.254 54.320 54.000 0.109 0.000 0.897 148 D CB 1.700 42.644 40.800 0.240 0.000 1.200 148 D HN 0.200 nan 8.370 nan 0.000 0.429 149 V N 2.294 122.132 119.914 -0.126 0.000 2.444 149 V HA 0.356 4.476 4.120 -0.000 0.000 0.294 149 V C -0.795 175.140 176.094 -0.266 0.000 1.022 149 V CA -0.871 61.288 62.300 -0.234 0.000 0.850 149 V CB 1.140 32.791 31.823 -0.287 0.000 0.992 149 V HN 0.458 nan 8.190 nan 0.000 0.426 150 W N 3.030 124.255 121.300 -0.124 0.000 2.666 150 W HA 0.798 5.458 4.660 -0.000 0.000 0.334 150 W C -0.771 175.698 176.519 -0.084 0.000 1.051 150 W CA -0.755 56.568 57.345 -0.038 0.000 1.224 150 W CB 2.146 31.644 29.460 0.063 0.000 1.405 150 W HN 0.303 nan 8.180 nan 0.000 0.513 151 V N 3.961 123.976 119.914 0.167 0.000 2.569 151 V HA 0.235 4.355 4.120 -0.000 0.000 0.301 151 V C -0.266 175.889 176.094 0.103 0.000 1.044 151 V CA -1.365 60.983 62.300 0.081 0.000 0.874 151 V CB 1.483 33.311 31.823 0.008 0.000 1.002 151 V HN 0.726 nan 8.190 nan 0.000 0.424 152 N N 3.606 122.359 118.700 0.088 0.000 2.725 152 N HA -0.212 4.528 4.740 -0.000 0.000 0.249 152 N C 1.133 176.717 175.510 0.124 0.000 1.103 152 N CA 1.760 54.870 53.050 0.101 0.000 0.707 152 N CB -1.059 37.493 38.487 0.109 0.000 1.043 152 N HN 1.690 nan 8.380 nan 0.000 0.553 153 G N -2.619 106.278 108.800 0.162 0.000 2.157 153 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.248 153 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.248 153 G C 0.062 175.198 174.900 0.395 0.000 0.979 153 G CA 0.597 45.825 45.100 0.213 0.000 0.650 153 G HN 0.519 nan 8.290 nan 0.000 0.529 154 T N 0.668 115.418 114.554 0.326 0.000 2.797 154 T HA 0.496 4.845 4.350 -0.000 0.000 0.279 154 T C 0.080 174.727 174.700 -0.089 0.000 0.991 154 T CA -0.512 61.673 62.100 0.141 0.000 0.979 154 T CB 1.932 70.826 68.868 0.044 0.000 0.943 154 T HN 0.293 nan 8.240 nan 0.000 0.444 155 K N 3.344 123.365 120.400 -0.631 0.000 2.315 155 K HA 0.204 4.524 4.320 -0.000 0.000 0.291 155 K C 1.277 177.576 176.600 -0.502 0.000 1.074 155 K CA -0.267 55.347 56.287 -1.121 0.000 0.936 155 K CB 0.231 31.870 32.500 -1.435 0.000 1.049 155 K HN 0.527 nan 8.250 nan 0.000 0.471 156 V N 1.136 120.834 119.914 -0.361 0.000 3.052 156 V HA 0.314 4.434 4.120 -0.000 0.000 0.254 156 V C 0.411 176.410 176.094 -0.158 0.000 1.100 156 V CA 0.607 62.794 62.300 -0.189 0.000 1.112 156 V CB -0.162 31.596 31.823 -0.107 0.000 0.738 156 V HN 0.601 nan 8.190 nan 0.000 0.469 157 A N 0.259 122.955 122.820 -0.206 0.000 2.604 157 A HA 0.736 5.056 4.320 -0.000 0.000 0.295 157 A C -0.230 177.251 177.584 -0.171 0.000 1.067 157 A CA 0.133 52.087 52.037 -0.139 0.000 0.683 157 A CB 1.309 20.276 19.000 -0.054 0.000 1.281 157 A HN 0.659 nan 8.150 nan 0.000 0.407 158 T N -1.622 112.854 114.554 -0.130 0.000 2.950 158 T HA 0.481 4.831 4.350 -0.000 0.000 0.288 158 T C 0.859 175.492 174.700 -0.113 0.000 1.035 158 T CA -0.043 61.987 62.100 -0.117 0.000 1.028 158 T CB 1.384 70.187 68.868 -0.108 0.000 1.109 158 T HN 0.920 nan 8.240 nan 0.000 0.514 159 K N 0.370 120.685 120.400 -0.142 0.000 2.360 159 K HA -0.114 4.206 4.320 -0.000 0.000 0.201 159 K C 0.822 177.292 176.600 -0.217 0.000 1.046 159 K CA 1.357 57.502 56.287 -0.236 0.000 0.945 159 K CB -0.237 31.913 32.500 -0.584 0.000 0.750 159 K HN 0.501 nan 8.250 nan 0.000 0.464 160 D N 1.127 121.424 120.400 -0.171 0.000 2.224 160 D HA -0.147 4.493 4.640 -0.000 0.000 0.205 160 D C 1.928 178.166 176.300 -0.103 0.000 0.965 160 D CA 1.061 54.978 54.000 -0.138 0.000 0.852 160 D CB 0.171 40.905 40.800 -0.110 0.000 0.947 160 D HN 0.524 nan 8.370 nan 0.000 0.494 161 Q N 0.343 120.086 119.800 -0.094 0.000 2.200 161 Q HA -0.000 4.340 4.340 -0.000 0.000 0.197 161 Q C 0.349 176.296 176.000 -0.089 0.000 0.953 161 Q CA 0.441 56.207 55.803 -0.061 0.000 0.851 161 Q CB 0.671 29.377 28.738 -0.054 0.000 0.938 161 Q HN -0.076 nan 8.270 nan 0.000 0.488 162 V N 3.184 122.976 119.914 -0.203 0.000 2.267 162 V HA 0.249 4.369 4.120 -0.000 0.000 0.254 162 V C -0.537 175.477 176.094 -0.134 0.000 1.144 162 V CA -0.323 61.733 62.300 -0.406 0.000 0.992 162 V CB 0.172 31.838 31.823 -0.262 0.000 1.199 162 V HN 0.273 nan 8.190 nan 0.000 0.493 163 N N 3.397 122.082 118.700 -0.025 0.000 2.503 163 N HA 0.563 5.303 4.740 -0.000 0.000 0.287 163 N C -0.523 174.983 175.510 -0.007 0.000 1.096 163 N CA 0.572 53.594 53.050 -0.046 0.000 0.936 163 N CB 2.191 40.615 38.487 -0.105 0.000 1.570 163 N HN 0.784 nan 8.380 nan 0.000 0.504 164 G N 1.584 110.359 108.800 -0.042 0.000 3.233 164 G HA2 0.177 4.137 3.960 -0.000 0.000 0.686 164 G HA3 0.177 4.137 3.960 -0.000 0.000 0.686 164 G C 0.666 175.565 174.900 -0.001 0.000 1.153 164 G CA -0.072 45.002 45.100 -0.043 0.000 0.853 164 G HN 0.816 nan 8.290 nan 0.000 0.582 165 A N 1.580 124.342 122.820 -0.096 0.000 1.978 165 A HA 0.078 4.398 4.320 -0.000 0.000 0.220 165 A C 1.724 179.142 177.584 -0.277 0.000 1.170 165 A CA 2.421 54.300 52.037 -0.264 0.000 0.636 165 A CB -0.295 18.395 19.000 -0.516 0.000 0.810 165 A HN 1.149 nan 8.150 nan 0.000 0.448 166 Y N 0.412 120.801 120.300 0.148 0.000 2.449 166 Y HA 0.101 4.651 4.550 -0.000 0.000 0.254 166 Y C 1.288 177.237 175.900 0.081 0.000 1.140 166 Y CA 0.309 58.498 58.100 0.148 0.000 1.272 166 Y CB -0.009 38.607 38.460 0.261 0.000 1.114 166 Y HN 0.270 nan 8.280 nan 0.000 0.525 167 T N 0.008 114.656 114.554 0.156 0.000 2.834 167 T HA 0.155 4.505 4.350 -0.000 0.000 0.298 167 T C -0.057 174.465 174.700 -0.297 0.000 0.966 167 T CA -0.800 61.280 62.100 -0.033 0.000 1.141 167 T CB 1.327 70.192 68.868 -0.005 0.000 0.905 167 T HN 0.203 nan 8.240 nan 0.000 0.535 168 R N 2.395 122.668 120.500 -0.378 0.000 2.404 168 R HA 0.266 4.605 4.340 -0.000 0.000 0.291 168 R C -0.716 175.063 176.300 -0.868 0.000 1.025 168 R CA -0.663 55.156 56.100 -0.467 0.000 0.991 168 R CB 0.492 30.686 30.300 -0.177 0.000 1.053 168 R HN 0.785 nan 8.270 nan 0.000 0.479 169 H N 2.205 121.029 119.070 -0.409 0.000 2.609 169 H HA 0.172 4.728 4.556 -0.000 0.000 0.344 169 H C -1.184 173.974 175.328 -0.283 0.000 1.040 169 H CA -0.775 55.015 56.048 -0.430 0.000 1.216 169 H CB 2.118 31.424 29.762 -0.760 0.000 1.529 169 H HN 0.553 nan 8.280 nan 0.000 0.519 170 D N 4.224 124.626 120.400 0.004 0.000 2.438 170 D HA 0.227 4.867 4.640 -0.000 0.000 0.257 170 D C -0.721 175.699 176.300 0.200 0.000 1.148 170 D CA -0.403 53.657 54.000 0.100 0.000 0.902 170 D CB 0.181 41.012 40.800 0.052 0.000 1.062 170 D HN 0.370 nan 8.370 nan 0.000 0.518 171 L N 2.558 123.939 121.223 0.264 0.000 2.265 171 L HA 0.340 4.680 4.340 -0.000 0.000 0.289 171 L C 0.256 177.242 176.870 0.193 0.000 1.033 171 L CA -0.915 54.059 54.840 0.223 0.000 0.814 171 L CB 1.385 43.585 42.059 0.235 0.000 1.203 171 L HN 0.232 nan 8.230 nan 0.000 0.423 172 D N 4.804 125.265 120.400 0.102 0.000 2.336 172 D HA 0.153 4.793 4.640 -0.000 0.000 0.249 172 D C 0.638 176.834 176.300 -0.174 0.000 1.213 172 D CA -0.184 53.691 54.000 -0.208 0.000 0.870 172 D CB 1.086 41.799 40.800 -0.144 0.000 1.076 172 D HN 0.539 nan 8.370 nan 0.000 0.483 173 I N 0.653 121.095 120.570 -0.213 0.000 3.914 173 I HA 0.135 4.305 4.170 -0.000 0.000 0.333 173 I C 1.158 177.196 176.117 -0.132 0.000 1.449 173 I CA -0.522 60.710 61.300 -0.114 0.000 1.135 173 I CB 0.226 38.197 38.000 -0.049 0.000 1.073 173 I HN 0.027 nan 8.210 nan 0.000 0.401 174 T N 1.887 116.322 114.554 -0.199 0.000 2.665 174 T HA -0.230 4.120 4.350 -0.000 0.000 0.268 174 T C 2.106 176.761 174.700 -0.075 0.000 1.035 174 T CA 2.238 64.250 62.100 -0.147 0.000 1.151 174 T CB -0.180 68.587 68.868 -0.168 0.000 0.862 174 T HN 0.646 nan 8.240 nan 0.000 0.438 175 A N 0.742 123.525 122.820 -0.062 0.000 2.070 175 A HA -0.102 4.217 4.320 -0.000 0.000 0.220 175 A C 2.186 179.763 177.584 -0.011 0.000 1.159 175 A CA 1.310 53.330 52.037 -0.028 0.000 0.656 175 A CB -0.412 18.574 19.000 -0.025 0.000 0.800 175 A HN 0.438 nan 8.150 nan 0.000 0.453 176 Q N -1.075 118.711 119.800 -0.023 0.000 2.402 176 Q HA 0.235 4.575 4.340 -0.000 0.000 0.206 176 Q C 0.230 176.216 176.000 -0.022 0.000 0.919 176 Q CA 0.216 56.016 55.803 -0.004 0.000 0.923 176 Q CB 0.227 28.959 28.738 -0.010 0.000 1.048 176 Q HN 0.365 nan 8.270 nan 0.000 0.515 177 V N 2.677 122.555 119.914 -0.059 0.000 2.607 177 V HA 0.188 4.308 4.120 -0.000 0.000 0.289 177 V C 0.088 176.138 176.094 -0.074 0.000 1.053 177 V CA -0.483 61.736 62.300 -0.135 0.000 0.996 177 V CB 0.804 32.562 31.823 -0.108 0.000 0.995 177 V HN 0.412 nan 8.190 nan 0.000 0.476 178 H N 1.116 120.193 119.070 0.011 0.000 2.864 178 H HA 0.669 5.225 4.556 -0.000 0.000 0.354 178 H C -0.010 175.326 175.328 0.014 0.000 1.208 178 H CA -0.563 55.491 56.048 0.011 0.000 1.191 178 H CB 1.605 31.373 29.762 0.010 0.000 1.889 178 H HN 0.644 nan 8.280 nan 0.000 0.574 179 T N 0.032 114.721 114.554 0.226 0.000 2.928 179 T HA 0.423 4.773 4.350 -0.000 0.000 0.305 179 T C 1.162 175.992 174.700 0.217 0.000 1.035 179 T CA 1.274 63.468 62.100 0.157 0.000 1.145 179 T CB -0.518 nan 68.868 nan 0.000 0.963 179 T HN 1.117 nan 8.240 nan 0.000 0.545 180 G N 1.110 109.989 108.800 0.131 0.000 2.481 180 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.230 180 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.230 180 G C -0.145 174.825 174.900 0.117 0.000 1.210 180 G CA -0.182 44.989 45.100 0.119 0.000 0.936 180 G HN 1.465 nan 8.290 nan 0.000 0.583 181 V N 3.235 123.231 119.914 0.137 0.000 2.405 181 V HA 0.332 4.452 4.120 -0.000 0.000 0.264 181 V C 0.597 176.779 176.094 0.147 0.000 1.048 181 V CA -0.223 62.142 62.300 0.108 0.000 0.966 181 V CB 0.494 32.366 31.823 0.082 0.000 1.015 181 V HN 0.575 nan 8.190 nan 0.000 0.477 182 N N 2.821 121.527 118.700 0.010 0.000 2.459 182 N HA 0.584 5.324 4.740 -0.000 0.000 0.288 182 N C -0.700 174.811 175.510 0.003 0.000 1.186 182 N CA -0.519 52.483 53.050 -0.081 0.000 0.917 182 N CB 2.105 40.459 38.487 -0.221 0.000 1.219 182 N HN 0.569 nan 8.380 nan 0.000 0.525 183 S N 0.340 116.047 115.700 0.012 0.000 2.548 183 S HA 0.551 5.021 4.470 -0.000 0.000 0.286 183 S C -0.606 174.024 174.600 0.051 0.000 1.098 183 S CA -0.687 57.536 58.200 0.039 0.000 0.930 183 S CB 2.091 65.309 63.200 0.030 0.000 1.070 183 S HN 0.240 nan 8.310 nan 0.000 0.480 184 V N 1.451 121.422 119.914 0.096 0.000 2.656 184 V HA 0.913 5.033 4.120 -0.000 0.000 0.307 184 V C -0.445 175.756 176.094 0.178 0.000 1.051 184 V CA -0.613 61.745 62.300 0.097 0.000 0.893 184 V CB 1.657 33.542 31.823 0.105 0.000 0.999 184 V HN 1.048 nan 8.190 nan 0.000 0.426 185 A N 4.053 126.965 122.820 0.153 0.000 2.398 185 A HA 0.885 5.205 4.320 -0.000 0.000 0.301 185 A C -1.269 176.511 177.584 0.326 0.000 1.041 185 A CA -0.395 51.865 52.037 0.373 0.000 0.711 185 A CB 0.975 20.169 19.000 0.324 0.000 1.240 185 A HN 0.617 nan 8.150 nan 0.000 0.420 186 F N 1.623 121.825 119.950 0.420 0.000 2.420 186 F HA 0.451 4.978 4.527 -0.000 0.000 0.342 186 F C 0.812 176.665 175.800 0.088 0.000 1.113 186 F CA -0.298 57.828 58.000 0.212 0.000 1.059 186 F CB 1.820 40.805 39.000 -0.026 0.000 1.128 186 F HN 0.512 nan 8.300 nan 0.000 0.475 187 K N 3.926 124.264 120.400 -0.103 0.000 2.266 187 K HA 0.471 4.791 4.320 -0.000 0.000 0.274 187 K C -1.361 175.098 176.600 -0.236 0.000 1.090 187 K CA -0.297 55.559 56.287 -0.718 0.000 0.925 187 K CB 0.752 32.590 32.500 -1.102 0.000 1.225 187 K HN 0.502 nan 8.250 nan 0.000 0.458 188 V N 5.857 125.676 119.914 -0.158 0.000 2.370 188 V HA 0.245 4.365 4.120 -0.000 0.000 0.279 188 V C -0.537 175.546 176.094 -0.018 0.000 1.029 188 V CA -0.776 61.530 62.300 0.010 0.000 0.870 188 V CB 0.552 32.358 31.823 -0.028 0.000 0.984 188 V HN 0.589 nan 8.190 nan 0.000 0.451 189 Y N 5.446 125.732 120.300 -0.024 0.000 2.301 189 Y HA 0.353 4.903 4.550 -0.000 0.000 0.325 189 Y C -1.800 174.110 175.900 0.018 0.000 1.203 189 Y CA -2.254 55.845 58.100 -0.003 0.000 1.255 189 Y CB 0.938 39.382 38.460 -0.028 0.000 1.232 189 Y HN 0.467 nan 8.280 nan 0.000 0.501 190 P HA -0.123 nan 4.420 nan 0.000 0.266 190 P C -0.933 176.416 177.300 0.082 0.000 1.186 190 P CA 0.299 63.474 63.100 0.125 0.000 0.767 190 P CB 0.456 32.232 31.700 0.128 0.000 0.820 191 N N 1.841 120.565 118.700 0.040 0.000 2.421 191 N HA 0.250 4.990 4.740 -0.000 0.000 0.285 191 N C -1.386 174.121 175.510 -0.005 0.000 1.027 191 N CA -0.280 52.771 53.050 0.002 0.000 0.918 191 N CB 0.484 38.961 38.487 -0.017 0.000 1.152 191 N HN 0.166 nan 8.380 nan 0.000 0.485 192 D N 4.019 124.401 120.400 -0.029 0.000 2.469 192 D HA 0.309 4.949 4.640 -0.000 0.000 0.251 192 D C -2.019 174.243 176.300 -0.062 0.000 1.173 192 D CA -2.045 51.935 54.000 -0.033 0.000 0.882 192 D CB 1.923 42.704 40.800 -0.031 0.000 1.129 192 D HN 0.374 nan 8.370 nan 0.000 0.549 193 P HA -0.069 nan 4.420 nan 0.000 0.228 193 P C 0.412 177.668 177.300 -0.073 0.000 1.151 193 P CA 0.754 63.810 63.100 -0.073 0.000 0.770 193 P CB 0.420 32.076 31.700 -0.074 0.000 0.786 194 N N -0.485 118.179 118.700 -0.060 0.000 2.415 194 N HA 0.000 4.740 4.740 -0.000 0.000 0.176 194 N C 2.064 177.521 175.510 -0.089 0.000 1.042 194 N CA 0.090 53.108 53.050 -0.054 0.000 0.902 194 N CB -0.073 38.396 38.487 -0.029 0.000 0.986 194 N HN 0.093 nan 8.380 nan 0.000 0.447 195 R N 0.338 120.771 120.500 -0.113 0.000 2.250 195 R HA 0.107 4.447 4.340 -0.000 0.000 0.194 195 R C -0.770 175.393 176.300 -0.228 0.000 0.927 195 R CA 0.419 56.432 56.100 -0.145 0.000 1.052 195 R CB 0.601 30.839 30.300 -0.104 0.000 1.055 195 R HN 0.059 nan 8.270 nan 0.000 0.537 196 D N 1.049 121.310 120.400 -0.230 0.000 2.248 196 D HA 0.191 4.831 4.640 -0.000 0.000 0.246 196 D C -0.658 175.396 176.300 -0.410 0.000 1.027 196 D CA -0.456 53.370 54.000 -0.290 0.000 0.853 196 D CB 2.266 42.952 40.800 -0.191 0.000 1.243 196 D HN 0.069 nan 8.370 nan 0.000 0.462 197 L N 1.960 122.835 121.223 -0.580 0.000 2.404 197 L HA 0.156 4.495 4.340 -0.000 0.000 0.277 197 L C 0.849 177.551 176.870 -0.280 0.000 1.184 197 L CA 0.310 54.591 54.840 -0.932 0.000 1.013 197 L CB -0.051 41.223 42.059 -1.308 0.000 1.318 197 L HN 0.215 nan 8.230 nan 0.000 0.435 198 S N 1.975 117.689 115.700 0.023 0.000 4.199 198 S HA 0.689 5.159 4.470 -0.000 0.000 0.257 198 S C -0.748 173.938 174.600 0.143 0.000 1.079 198 S CA -0.581 57.647 58.200 0.045 0.000 1.498 198 S CB 1.087 64.238 63.200 -0.083 0.000 1.260 198 S HN 0.390 nan 8.310 nan 0.000 0.749 199 M N 0.975 120.506 119.600 -0.115 0.000 2.393 199 M HA 0.621 5.101 4.480 -0.000 0.000 0.299 199 M C -0.237 175.825 176.300 -0.397 0.000 1.103 199 M CA -0.672 54.410 55.300 -0.363 0.000 0.910 199 M CB 2.029 34.313 32.600 -0.527 0.000 1.659 199 M HN 0.704 nan 8.290 nan 0.000 0.445 200 G N 0.494 108.990 108.800 -0.508 0.000 2.798 200 G HA2 0.632 4.592 3.960 -0.000 0.000 0.286 200 G HA3 0.632 4.592 3.960 -0.000 0.000 0.286 200 G C -1.606 172.920 174.900 -0.624 0.000 1.389 200 G CA -0.503 44.332 45.100 -0.441 0.000 0.894 200 G HN 0.930 nan 8.290 nan 0.000 0.488 201 W N 0.308 121.506 121.300 -0.170 0.000 3.123 201 W HA 0.413 5.073 4.660 -0.000 0.000 0.383 201 W C 1.344 177.583 176.519 -0.467 0.000 1.102 201 W CA -0.350 56.799 57.345 -0.328 0.000 1.865 201 W CB -0.441 28.877 29.460 -0.237 0.000 1.111 201 W HN 0.491 nan 8.180 nan 0.000 0.621 202 I N 0.845 121.296 120.570 -0.199 0.000 4.907 202 I HA -0.496 3.674 4.170 -0.000 0.000 0.038 202 I C 1.331 177.489 176.117 0.068 0.000 0.635 202 I CA 2.060 63.283 61.300 -0.129 0.000 0.207 202 I CB -0.883 36.943 38.000 -0.290 0.000 0.321 202 I HN 0.070 nan 8.210 nan 0.000 0.150 203 D N -0.800 119.756 120.400 0.259 0.000 2.571 203 D HA 0.093 4.733 4.640 -0.000 0.000 0.239 203 D C 0.903 177.581 176.300 0.630 0.000 1.267 203 D CA -0.249 54.012 54.000 0.435 0.000 0.823 203 D CB -0.301 40.845 40.800 0.577 0.000 1.056 203 D HN 0.558 nan 8.370 nan 0.000 0.494 204 W N 1.856 123.377 121.300 0.368 0.000 2.402 204 W HA 0.426 5.086 4.660 -0.000 0.000 0.286 204 W C 1.230 177.829 176.519 0.133 0.000 1.221 204 W CA 0.588 58.128 57.345 0.325 0.000 1.257 204 W CB -0.642 28.958 29.460 0.233 0.000 1.120 204 W HN 0.271 nan 8.180 nan 0.000 0.551 205 A N -1.589 121.297 122.820 0.111 0.000 4.258 205 A HA 0.541 4.861 4.320 -0.000 0.000 0.158 205 A C -0.543 176.746 177.584 -0.493 0.000 0.780 205 A CA -0.430 51.410 52.037 -0.328 0.000 1.200 205 A CB 0.509 18.927 19.000 -0.970 0.000 2.104 205 A HN -0.153 nan 8.150 nan 0.000 0.922 206 Q N 0.088 119.310 119.800 -0.963 0.000 2.458 206 Q HA 0.512 4.852 4.340 -0.000 0.000 0.282 206 Q C -1.319 174.344 176.000 -0.562 0.000 1.106 206 Q CA -0.513 54.871 55.803 -0.699 0.000 0.814 206 Q CB 1.627 29.819 28.738 -0.909 0.000 1.425 206 Q HN 0.634 nan 8.270 nan 0.000 0.437 207 T N 3.506 117.894 114.554 -0.276 0.000 2.779 207 T HA 0.264 4.614 4.350 -0.000 0.000 0.296 207 T C -2.283 172.323 174.700 -0.156 0.000 0.938 207 T CA -0.901 61.110 62.100 -0.148 0.000 1.119 207 T CB 0.143 68.983 68.868 -0.047 0.000 0.891 207 T HN 0.187 nan 8.240 nan 0.000 0.526 208 P HA 0.152 nan 4.420 nan 0.000 0.268 208 P C -1.901 175.298 177.300 -0.167 0.000 1.204 208 P CA -1.488 61.596 63.100 -0.026 0.000 0.768 208 P CB 0.152 31.929 31.700 0.128 0.000 0.842 209 P HA -0.206 nan 4.420 nan 0.000 0.216 209 P C 0.800 177.839 177.300 -0.435 0.000 1.150 209 P CA 1.685 64.529 63.100 -0.427 0.000 0.843 209 P CB -0.106 31.141 31.700 -0.755 0.000 0.787 210 D N -1.892 118.032 120.400 -0.793 0.000 2.349 210 D HA -0.010 4.630 4.640 -0.000 0.000 0.214 210 D C 0.647 176.779 176.300 -0.280 0.000 1.063 210 D CA -0.058 53.431 54.000 -0.851 0.000 0.847 210 D CB -0.738 39.291 40.800 -1.284 0.000 0.933 210 D HN 0.020 nan 8.370 nan 0.000 0.513 211 Q N 0.459 120.176 119.800 -0.139 0.000 2.475 211 Q HA -0.268 4.071 4.340 -0.000 0.000 0.280 211 Q C -0.500 175.514 176.000 0.023 0.000 1.234 211 Q CA 0.882 56.681 55.803 -0.007 0.000 0.873 211 Q CB -1.864 26.871 28.738 -0.005 0.000 1.256 211 Q HN 0.333 nan 8.270 nan 0.000 0.475 212 N N -2.024 116.700 118.700 0.041 0.000 2.753 212 N HA -0.239 4.501 4.740 -0.000 0.000 0.251 212 N C 0.183 175.692 175.510 -0.002 0.000 1.097 212 N CA 1.699 54.796 53.050 0.078 0.000 0.786 212 N CB -1.886 36.699 38.487 0.162 0.000 1.137 212 N HN 0.789 nan 8.380 nan 0.000 0.566 213 M N -0.946 118.621 119.600 -0.055 0.000 2.250 213 M HA 0.400 4.880 4.480 -0.000 0.000 0.337 213 M C 1.002 177.273 176.300 -0.049 0.000 1.161 213 M CA 1.177 56.448 55.300 -0.048 0.000 1.088 213 M CB 0.762 33.347 32.600 -0.026 0.000 1.639 213 M HN 0.239 nan 8.290 nan 0.000 0.447 214 G N 3.101 111.835 108.800 -0.109 0.000 2.302 214 G HA2 0.226 4.186 3.960 -0.000 0.000 0.264 214 G HA3 0.226 4.186 3.960 -0.000 0.000 0.264 214 G C -1.585 173.050 174.900 -0.442 0.000 1.335 214 G CA -0.899 44.036 45.100 -0.275 0.000 0.982 214 G HN 0.886 nan 8.290 nan 0.000 0.473 215 I N 1.700 121.938 120.570 -0.554 0.000 2.448 215 I HA 0.364 4.534 4.170 -0.000 0.000 0.281 215 I C 1.116 177.130 176.117 -0.172 0.000 1.027 215 I CA -0.809 60.221 61.300 -0.451 0.000 1.111 215 I CB 1.808 39.342 38.000 -0.777 0.000 1.236 215 I HN 0.695 nan 8.210 nan 0.000 0.452 216 V N 2.292 122.154 119.914 -0.086 0.000 3.621 216 V HA 0.401 4.521 4.120 -0.000 0.000 0.285 216 V C 0.743 176.841 176.094 0.007 0.000 1.346 216 V CA 0.288 62.592 62.300 0.007 0.000 1.104 216 V CB -0.502 31.336 31.823 0.026 0.000 0.913 216 V HN 0.682 nan 8.190 nan 0.000 0.432 217 R N -0.122 120.371 120.500 -0.011 0.000 2.930 217 R HA 0.535 4.875 4.340 -0.000 0.000 0.257 217 R C -1.089 175.238 176.300 0.045 0.000 1.107 217 R CA -0.975 55.121 56.100 -0.007 0.000 0.999 217 R CB 0.756 31.058 30.300 0.004 0.000 1.209 217 R HN 0.159 nan 8.270 nan 0.000 0.486 218 D N 0.598 121.036 120.400 0.063 0.000 2.362 218 D HA 0.139 4.779 4.640 -0.000 0.000 0.242 218 D C -0.525 175.881 176.300 0.177 0.000 1.132 218 D CA 0.069 54.144 54.000 0.125 0.000 0.907 218 D CB 1.109 41.975 40.800 0.111 0.000 1.195 218 D HN 0.000 nan 8.370 nan 0.000 0.429 219 V N 2.864 122.909 119.914 0.219 0.000 2.394 219 V HA 0.269 4.389 4.120 -0.000 0.000 0.282 219 V C 0.307 176.559 176.094 0.264 0.000 1.031 219 V CA -0.672 61.796 62.300 0.281 0.000 0.881 219 V CB 1.002 32.979 31.823 0.257 0.000 0.982 219 V HN 0.269 nan 8.190 nan 0.000 0.451 220 L N 5.260 126.651 121.223 0.279 0.000 2.309 220 L HA 0.551 4.891 4.340 -0.000 0.000 0.282 220 L C -0.387 176.628 176.870 0.241 0.000 1.036 220 L CA -0.781 54.191 54.840 0.219 0.000 0.806 220 L CB 1.846 44.016 42.059 0.184 0.000 1.220 220 L HN 0.340 nan 8.230 nan 0.000 0.429 221 V N 4.082 124.114 119.914 0.196 0.000 2.364 221 V HA 0.371 4.491 4.120 -0.000 0.000 0.272 221 V C 0.208 176.407 176.094 0.174 0.000 1.036 221 V CA -0.531 61.882 62.300 0.188 0.000 0.880 221 V CB 0.879 32.791 31.823 0.148 0.000 0.991 221 V HN 0.711 nan 8.190 nan 0.000 0.460 222 R N 5.134 125.762 120.500 0.212 0.000 2.532 222 R HA 0.738 5.077 4.340 -0.000 0.000 0.295 222 R C -0.737 175.709 176.300 0.245 0.000 0.968 222 R CA -0.920 55.300 56.100 0.199 0.000 0.916 222 R CB 1.900 32.303 30.300 0.171 0.000 1.124 222 R HN 0.542 nan 8.270 nan 0.000 0.463 223 R N 1.180 121.790 120.500 0.184 0.000 2.561 223 R HA 0.445 4.784 4.340 -0.000 0.000 0.297 223 R C -0.831 175.563 176.300 0.157 0.000 0.969 223 R CA -0.657 55.551 56.100 0.180 0.000 0.879 223 R CB 2.032 32.402 30.300 0.117 0.000 1.178 223 R HN 0.927 nan 8.270 nan 0.000 0.445 224 S N -0.415 115.400 115.700 0.192 0.000 2.638 224 S HA 0.714 5.184 4.470 -0.000 0.000 0.274 224 S C 0.230 174.915 174.600 0.142 0.000 1.157 224 S CA -0.566 57.717 58.200 0.138 0.000 0.826 224 S CB 1.993 65.252 63.200 0.097 0.000 1.139 224 S HN 0.583 nan 8.310 nan 0.000 0.474 225 G N 0.455 109.316 108.800 0.101 0.000 3.022 225 G HA2 0.499 4.459 3.960 -0.000 0.000 0.157 225 G HA3 0.499 4.459 3.960 -0.000 0.000 0.157 225 G C 1.242 176.201 174.900 0.098 0.000 1.691 225 G CA -0.076 45.077 45.100 0.088 0.000 1.079 225 G HN 1.227 nan 8.290 nan 0.000 0.549 226 A N -1.537 121.327 122.820 0.073 0.000 1.972 226 A HA 0.304 4.623 4.320 -0.000 0.000 0.219 226 A C 0.884 178.514 177.584 0.076 0.000 1.169 226 A CA 1.088 53.167 52.037 0.071 0.000 0.635 226 A CB -0.370 18.660 19.000 0.049 0.000 0.810 226 A HN 0.381 nan 8.150 nan 0.000 0.446 227 V N -0.121 119.830 119.914 0.062 0.000 2.417 227 V HA 0.611 4.731 4.120 -0.000 0.000 0.291 227 V C 0.117 176.226 176.094 0.025 0.000 1.024 227 V CA -0.465 61.860 62.300 0.043 0.000 0.861 227 V CB 1.211 33.053 31.823 0.030 0.000 0.985 227 V HN 0.469 nan 8.190 nan 0.000 0.436 228 A N 5.108 127.921 122.820 -0.010 0.000 2.290 228 A HA 0.784 5.104 4.320 -0.000 0.000 0.310 228 A C -0.865 176.681 177.584 -0.062 0.000 1.202 228 A CA -0.428 51.550 52.037 -0.099 0.000 0.837 228 A CB 0.859 19.707 19.000 -0.255 0.000 1.139 228 A HN 0.775 nan 8.150 nan 0.000 0.509 229 L N 2.509 123.701 121.223 -0.052 0.000 2.275 229 L HA 0.789 5.129 4.340 -0.000 0.000 0.288 229 L C -0.016 176.842 176.870 -0.021 0.000 1.046 229 L CA 0.074 54.907 54.840 -0.013 0.000 0.805 229 L CB 0.984 43.050 42.059 0.012 0.000 1.193 229 L HN 0.799 nan 8.230 nan 0.000 0.426 230 R N 2.239 122.743 120.500 0.007 0.000 2.740 230 R HA 0.511 4.851 4.340 -0.000 0.000 0.273 230 R C -0.055 176.284 176.300 0.064 0.000 0.998 230 R CA -0.016 56.093 56.100 0.016 0.000 0.900 230 R CB 1.927 32.225 30.300 -0.004 0.000 1.223 230 R HN 0.650 nan 8.270 nan 0.000 0.466 231 S N 0.641 116.383 115.700 0.070 0.000 3.682 231 S HA -0.200 4.269 4.470 -0.000 0.000 0.354 231 S C -0.569 174.155 174.600 0.206 0.000 1.034 231 S CA 0.475 58.738 58.200 0.105 0.000 1.084 231 S CB -0.988 62.295 63.200 0.139 0.000 0.903 231 S HN 0.754 nan 8.310 nan 0.000 0.470 232 A N 2.825 125.729 122.820 0.139 0.000 2.409 232 A HA 0.611 4.930 4.320 -0.000 0.000 0.262 232 A C 0.218 177.892 177.584 0.151 0.000 1.113 232 A CA 0.376 52.482 52.037 0.115 0.000 0.790 232 A CB 0.257 19.284 19.000 0.045 0.000 1.046 232 A HN 0.981 nan 8.150 nan 0.000 0.496 233 H N -0.790 118.240 119.070 -0.067 0.000 2.960 233 H HA 0.643 5.199 4.556 -0.000 0.000 0.323 233 H C -2.060 173.147 175.328 -0.202 0.000 1.326 233 H CA -1.203 54.772 56.048 -0.121 0.000 1.124 233 H CB 0.956 30.654 29.762 -0.106 0.000 1.853 233 H HN 0.390 nan 8.280 nan 0.000 0.536 234 V N 2.436 122.196 119.914 -0.257 0.000 2.376 234 V HA 0.258 4.378 4.120 -0.000 0.000 0.287 234 V C 0.564 176.449 176.094 -0.347 0.000 1.015 234 V CA -0.626 61.370 62.300 -0.506 0.000 0.834 234 V CB 0.888 32.039 31.823 -1.121 0.000 1.001 234 V HN 0.532 nan 8.190 nan 0.000 0.428 235 I N 5.097 125.515 120.570 -0.253 0.000 2.533 235 I HA 0.256 4.426 4.170 -0.000 0.000 0.284 235 I C 0.290 176.286 176.117 -0.201 0.000 1.109 235 I CA 0.422 61.626 61.300 -0.159 0.000 1.412 235 I CB 0.628 38.571 38.000 -0.095 0.000 1.396 235 I HN 0.590 nan 8.210 nan 0.000 0.543 236 Q N 7.831 127.538 119.800 -0.156 0.000 2.310 236 Q HA 0.410 4.750 4.340 -0.000 0.000 0.270 236 Q C -1.573 174.383 176.000 -0.073 0.000 1.025 236 Q CA -0.994 54.736 55.803 -0.122 0.000 0.772 236 Q CB 2.071 30.765 28.738 -0.074 0.000 1.253 236 Q HN 0.555 nan 8.270 nan 0.000 0.450 237 K N 4.075 124.436 120.400 -0.064 0.000 2.463 237 K HA 0.489 4.809 4.320 -0.000 0.000 0.255 237 K C -1.778 174.803 176.600 -0.031 0.000 0.942 237 K CA -0.583 55.679 56.287 -0.041 0.000 0.814 237 K CB 1.152 33.633 32.500 -0.031 0.000 1.122 237 K HN 0.570 nan 8.250 nan 0.000 0.425 238 L N 4.481 125.693 121.223 -0.017 0.000 2.317 238 L HA 0.538 4.878 4.340 -0.000 0.000 0.281 238 L C -0.594 176.290 176.870 0.024 0.000 1.024 238 L CA -0.347 54.490 54.840 -0.004 0.000 0.810 238 L CB 1.158 43.211 42.059 -0.010 0.000 1.240 238 L HN 0.893 nan 8.230 nan 0.000 0.427 239 N N 1.582 120.315 118.700 0.056 0.000 2.399 239 N HA 0.011 4.751 4.740 -0.000 0.000 0.250 239 N C 0.664 176.208 175.510 0.057 0.000 1.272 239 N CA 0.343 53.434 53.050 0.068 0.000 0.928 239 N CB 0.409 38.958 38.487 0.102 0.000 1.158 239 N HN 0.660 nan 8.380 nan 0.000 0.463 240 S N -0.783 114.950 115.700 0.054 0.000 2.447 240 S HA -0.042 4.428 4.470 -0.000 0.000 0.233 240 S C 1.713 176.357 174.600 0.073 0.000 1.006 240 S CA 0.471 58.705 58.200 0.057 0.000 0.957 240 S CB -0.632 62.598 63.200 0.050 0.000 0.773 240 S HN 0.783 nan 8.310 nan 0.000 0.507 241 A N 1.547 124.413 122.820 0.076 0.000 2.119 241 A HA 0.368 4.688 4.320 -0.000 0.000 0.217 241 A C 1.369 179.018 177.584 0.107 0.000 1.153 241 A CA 0.843 52.932 52.037 0.087 0.000 0.692 241 A CB -0.783 18.263 19.000 0.077 0.000 0.799 241 A HN 0.705 nan 8.150 nan 0.000 0.458 242 L N -1.426 119.857 121.223 0.100 0.000 4.291 242 L HA -0.236 4.104 4.340 -0.000 0.000 0.413 242 L C 0.419 177.358 176.870 0.114 0.000 1.162 242 L CA 0.669 55.571 54.840 0.102 0.000 0.961 242 L CB -1.990 40.154 42.059 0.141 0.000 2.095 242 L HN 0.698 nan 8.230 nan 0.000 0.838 243 D N -1.761 118.708 120.400 0.116 0.000 2.469 243 D HA 0.151 4.790 4.640 -0.000 0.000 0.213 243 D C 0.388 176.781 176.300 0.154 0.000 1.135 243 D CA 0.161 54.234 54.000 0.121 0.000 0.834 243 D CB 0.178 41.043 40.800 0.109 0.000 1.009 243 D HN 0.568 nan 8.370 nan 0.000 0.507 244 H N 0.042 119.139 119.070 0.044 0.000 2.947 244 H HA 0.674 5.230 4.556 -0.000 0.000 0.354 244 H C -1.679 173.664 175.328 0.025 0.000 1.085 244 H CA -0.504 55.562 56.048 0.031 0.000 1.253 244 H CB 1.817 31.592 29.762 0.022 0.000 1.757 244 H HN 0.097 nan 8.280 nan 0.000 0.523 245 A N 4.178 126.666 122.820 -0.553 0.000 2.374 245 A HA 0.494 4.814 4.320 -0.000 0.000 0.317 245 A C -1.049 176.261 177.584 -0.457 0.000 1.094 245 A CA -0.823 51.012 52.037 -0.337 0.000 0.765 245 A CB 1.223 20.129 19.000 -0.156 0.000 1.268 245 A HN 0.777 nan 8.150 nan 0.000 0.438 246 D N 1.277 121.556 120.400 -0.203 0.000 2.217 246 D HA 0.516 5.156 4.640 -0.000 0.000 0.243 246 D C -1.265 174.963 176.300 -0.120 0.000 1.054 246 D CA -0.098 53.829 54.000 -0.122 0.000 0.838 246 D CB 1.937 42.728 40.800 -0.016 0.000 1.162 246 D HN 0.164 nan 8.370 nan 0.000 0.472 247 L N 1.904 123.046 121.223 -0.135 0.000 2.349 247 L HA 0.315 4.655 4.340 -0.000 0.000 0.278 247 L C 0.097 176.868 176.870 -0.164 0.000 0.996 247 L CA -0.489 54.235 54.840 -0.193 0.000 0.825 247 L CB 1.677 43.599 42.059 -0.228 0.000 1.243 247 L HN 0.201 nan 8.230 nan 0.000 0.412 248 T N 2.905 117.350 114.554 -0.181 0.000 2.842 248 T HA 0.473 4.823 4.350 -0.000 0.000 0.308 248 T C 0.008 174.585 174.700 -0.204 0.000 1.041 248 T CA -0.411 61.608 62.100 -0.136 0.000 0.964 248 T CB 1.127 69.941 68.868 -0.089 0.000 0.972 248 T HN 0.154 nan 8.240 nan 0.000 0.460 249 V N 4.824 124.629 119.914 -0.182 0.000 2.530 249 V HA 0.349 4.469 4.120 -0.000 0.000 0.282 249 V C 0.301 176.364 176.094 -0.051 0.000 1.048 249 V CA -0.230 61.920 62.300 -0.250 0.000 0.997 249 V CB 0.702 32.226 31.823 -0.497 0.000 0.987 249 V HN 0.704 nan 8.190 nan 0.000 0.477 250 K N 3.391 123.631 120.400 -0.267 0.000 2.427 250 K HA 0.855 5.174 4.320 -0.000 0.000 0.252 250 K C -0.863 175.662 176.600 -0.126 0.000 0.931 250 K CA -0.521 55.650 56.287 -0.195 0.000 0.793 250 K CB 2.490 34.763 32.500 -0.379 0.000 1.211 250 K HN 0.787 nan 8.250 nan 0.000 0.426 251 A N 2.360 125.221 122.820 0.068 0.000 2.520 251 A HA 0.466 4.785 4.320 -0.000 0.000 0.298 251 A C -1.652 175.985 177.584 0.089 0.000 1.051 251 A CA -0.915 51.184 52.037 0.104 0.000 0.690 251 A CB 1.175 20.260 19.000 0.142 0.000 1.281 251 A HN 0.620 nan 8.150 nan 0.000 0.402 252 D N 1.204 121.656 120.400 0.087 0.000 2.210 252 D HA 0.486 5.126 4.640 -0.000 0.000 0.249 252 D C 0.006 176.327 176.300 0.035 0.000 1.062 252 D CA 0.162 54.196 54.000 0.056 0.000 0.891 252 D CB 1.784 42.621 40.800 0.062 0.000 1.186 252 D HN 0.654 nan 8.370 nan 0.000 0.432 253 V N -0.065 119.860 119.914 0.019 0.000 2.540 253 V HA 0.651 4.771 4.120 -0.000 0.000 0.302 253 V C -0.282 175.815 176.094 0.006 0.000 1.035 253 V CA -1.019 61.287 62.300 0.010 0.000 0.873 253 V CB 2.038 33.867 31.823 0.009 0.000 0.992 253 V HN 0.431 nan 8.190 nan 0.000 0.428 254 R N 3.142 123.644 120.500 0.004 0.000 2.476 254 R HA 0.429 4.769 4.340 -0.000 0.000 0.305 254 R C -0.828 175.489 176.300 0.028 0.000 0.965 254 R CA -0.526 55.582 56.100 0.013 0.000 0.867 254 R CB 1.334 31.640 30.300 0.010 0.000 1.176 254 R HN 0.902 nan 8.270 nan 0.000 0.447 255 N N 3.117 121.836 118.700 0.031 0.000 2.482 255 N HA 0.027 4.767 4.740 -0.000 0.000 0.242 255 N C -0.548 174.995 175.510 0.056 0.000 1.100 255 N CA -0.050 53.024 53.050 0.040 0.000 0.946 255 N CB 1.003 39.507 38.487 0.027 0.000 1.227 255 N HN 0.526 nan 8.380 nan 0.000 0.508 256 D N 0.145 120.597 120.400 0.086 0.000 2.349 256 D HA -0.036 4.604 4.640 -0.000 0.000 0.224 256 D C 0.591 176.934 176.300 0.073 0.000 1.029 256 D CA 0.300 54.362 54.000 0.104 0.000 0.879 256 D CB 0.132 41.050 40.800 0.197 0.000 0.906 256 D HN 0.593 nan 8.370 nan 0.000 0.528 257 S N -0.565 115.170 115.700 0.058 0.000 2.686 257 S HA 0.513 4.983 4.470 -0.000 0.000 0.270 257 S C 1.199 175.817 174.600 0.030 0.000 1.194 257 S CA -0.266 57.959 58.200 0.042 0.000 0.990 257 S CB 1.931 65.154 63.200 0.039 0.000 1.029 257 S HN -0.032 nan 8.310 nan 0.000 0.560 258 A N 0.618 123.452 122.820 0.024 0.000 2.238 258 A HA 0.321 4.641 4.320 -0.000 0.000 0.208 258 A C 0.214 177.808 177.584 0.016 0.000 1.177 258 A CA -0.175 51.873 52.037 0.018 0.000 0.804 258 A CB -1.067 17.942 19.000 0.015 0.000 0.823 258 A HN 0.827 nan 8.150 nan 0.000 0.482 259 N N -1.627 117.083 118.700 0.017 0.000 2.284 259 N HA 0.575 5.315 4.740 -0.000 0.000 0.289 259 N C -0.522 174.997 175.510 0.015 0.000 1.179 259 N CA -0.227 52.831 53.050 0.014 0.000 0.774 259 N CB 1.541 40.037 38.487 0.014 0.000 1.548 259 N HN 0.167 nan 8.380 nan 0.000 0.473 260 A N 0.520 123.347 122.820 0.011 0.000 2.498 260 A HA 0.468 4.788 4.320 -0.000 0.000 0.239 260 A C 0.203 177.793 177.584 0.010 0.000 1.068 260 A CA -0.074 51.968 52.037 0.009 0.000 0.766 260 A CB -0.267 18.736 19.000 0.005 0.000 1.003 260 A HN 0.581 nan 8.150 nan 0.000 0.497 261 V N -0.113 119.806 119.914 0.010 0.000 3.160 261 V HA 0.687 4.807 4.120 -0.000 0.000 0.310 261 V C -0.618 175.479 176.094 0.005 0.000 1.181 261 V CA -0.888 61.418 62.300 0.010 0.000 1.047 261 V CB 1.755 33.587 31.823 0.015 0.000 1.068 261 V HN 0.897 nan 8.190 nan 0.000 0.441 262 Q N 0.704 120.508 119.800 0.005 0.000 2.333 262 Q HA 0.603 4.943 4.340 -0.000 0.000 0.267 262 Q C -1.119 174.883 176.000 0.004 0.000 1.012 262 Q CA -0.302 55.502 55.803 0.000 0.000 0.824 262 Q CB 2.080 30.818 28.738 -0.000 0.000 1.290 262 Q HN 1.038 nan 8.270 nan 0.000 0.449 263 T N 1.347 115.901 114.554 -0.001 0.000 2.863 263 T HA 0.488 4.838 4.350 -0.000 0.000 0.285 263 T C -0.954 173.747 174.700 0.001 0.000 1.009 263 T CA -0.260 61.843 62.100 0.006 0.000 0.989 263 T CB 1.405 70.279 68.868 0.010 0.000 1.004 263 T HN 0.432 nan 8.240 nan 0.000 0.455 264 T N 3.865 118.428 114.554 0.015 0.000 2.758 264 T HA 0.499 4.849 4.350 -0.000 0.000 0.285 264 T C -0.433 174.297 174.700 0.049 0.000 0.981 264 T CA -0.445 61.669 62.100 0.022 0.000 0.965 264 T CB 0.891 69.775 68.868 0.027 0.000 0.927 264 T HN 0.487 nan 8.240 nan 0.000 0.448 265 V N 3.252 123.206 119.914 0.068 0.000 2.333 265 V HA 0.794 4.914 4.120 -0.000 0.000 0.274 265 V C 0.206 176.459 176.094 0.265 0.000 1.028 265 V CA -0.608 61.787 62.300 0.158 0.000 0.851 265 V CB 0.423 32.361 31.823 0.192 0.000 1.000 265 V HN 1.067 nan 8.190 nan 0.000 0.456 266 A N 3.561 126.490 122.820 0.182 0.000 2.539 266 A HA 1.052 5.372 4.320 -0.000 0.000 0.296 266 A C 0.134 177.754 177.584 0.061 0.000 1.073 266 A CA 0.096 52.222 52.037 0.148 0.000 0.700 266 A CB 2.177 21.239 19.000 0.103 0.000 1.296 266 A HN 1.362 nan 8.150 nan 0.000 0.405 267 G N -0.468 108.339 108.800 0.011 0.000 2.600 267 G HA2 0.619 4.579 3.960 -0.000 0.000 0.103 267 G HA3 0.619 4.579 3.960 -0.000 0.000 0.103 267 G C -0.364 174.511 174.900 -0.042 0.000 1.090 267 G CA 0.815 45.908 45.100 -0.011 0.000 1.090 267 G HN 2.001 nan 8.290 nan 0.000 0.500 268 T N -2.503 112.020 114.554 -0.052 0.000 2.903 268 T HA 0.722 5.072 4.350 -0.000 0.000 0.299 268 T C -1.463 173.203 174.700 -0.056 0.000 1.093 268 T CA -0.503 61.570 62.100 -0.045 0.000 1.002 268 T CB 2.060 70.930 68.868 0.002 0.000 1.127 268 T HN 1.678 nan 8.240 nan 0.000 0.488 269 V N 2.061 121.943 119.914 -0.053 0.000 2.525 269 V HA 0.627 4.747 4.120 -0.000 0.000 0.299 269 V C 0.576 176.701 176.094 0.051 0.000 1.034 269 V CA 0.279 62.581 62.300 0.003 0.000 0.863 269 V CB 0.406 32.148 31.823 -0.134 0.000 0.999 269 V HN 2.150 nan 8.190 nan 0.000 0.423 270 A N 4.793 127.701 122.820 0.147 0.000 2.799 270 A HA -0.002 4.318 4.320 -0.000 0.000 0.287 270 A C 1.903 179.538 177.584 0.085 0.000 1.484 270 A CA 1.720 53.800 52.037 0.072 0.000 0.813 270 A CB -1.790 16.992 19.000 -0.362 0.000 1.009 270 A HN 2.881 nan 8.150 nan 0.000 0.545 271 G N -2.341 106.511 108.800 0.086 0.000 2.176 271 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.253 271 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.253 271 G C 0.085 175.004 174.900 0.031 0.000 0.979 271 G CA 1.100 46.239 45.100 0.066 0.000 0.641 271 G HN 1.133 nan 8.290 nan 0.000 0.530 272 K N 1.767 122.172 120.400 0.008 0.000 2.183 272 K HA 0.516 4.836 4.320 -0.000 0.000 0.274 272 K C -2.264 174.326 176.600 -0.016 0.000 1.009 272 K CA -1.967 54.316 56.287 -0.006 0.000 0.888 272 K CB 1.936 34.423 32.500 -0.022 0.000 1.078 272 K HN 0.065 nan 8.250 nan 0.000 0.459 273 P HA 0.174 nan 4.420 nan 0.000 0.279 273 P C -0.759 176.541 177.300 0.000 0.000 1.239 273 P CA -0.241 62.859 63.100 -0.000 0.000 0.789 273 P CB 0.496 32.206 31.700 0.017 0.000 0.933 274 I N -1.834 118.732 120.570 -0.006 0.000 2.769 274 I HA 0.798 4.967 4.170 -0.000 0.000 0.298 274 I C -1.015 175.207 176.117 0.174 0.000 1.128 274 I CA -0.958 60.371 61.300 0.049 0.000 1.031 274 I CB 2.580 40.477 38.000 -0.171 0.000 1.235 274 I HN 0.262 nan 8.210 nan 0.000 0.423 275 S N 3.082 118.979 115.700 0.329 0.000 2.582 275 S HA 0.442 4.912 4.470 -0.000 0.000 0.287 275 S C -1.611 173.077 174.600 0.147 0.000 1.146 275 S CA -0.517 57.846 58.200 0.273 0.000 0.941 275 S CB 1.525 64.800 63.200 0.126 0.000 1.115 275 S HN 0.715 nan 8.310 nan 0.000 0.458 276 Q N 2.118 121.924 119.800 0.011 0.000 2.389 276 Q HA 0.533 4.873 4.340 -0.000 0.000 0.277 276 Q C -1.208 174.720 176.000 -0.121 0.000 1.082 276 Q CA -0.628 55.057 55.803 -0.197 0.000 0.810 276 Q CB 2.353 30.738 28.738 -0.588 0.000 1.374 276 Q HN 0.684 nan 8.270 nan 0.000 0.422 277 T N 1.295 115.791 114.554 -0.098 0.000 2.812 277 T HA 0.639 4.989 4.350 -0.000 0.000 0.282 277 T C -0.242 174.416 174.700 -0.070 0.000 0.990 277 T CA -0.566 61.498 62.100 -0.060 0.000 0.960 277 T CB 1.193 70.043 68.868 -0.031 0.000 0.948 277 T HN 0.438 nan 8.240 nan 0.000 0.438 278 V N 0.381 120.261 119.914 -0.058 0.000 3.078 278 V HA 0.871 4.991 4.120 -0.000 0.000 0.311 278 V C -0.331 175.744 176.094 -0.031 0.000 1.138 278 V CA -0.880 61.388 62.300 -0.054 0.000 1.007 278 V CB 2.222 34.004 31.823 -0.068 0.000 1.045 278 V HN 0.722 nan 8.190 nan 0.000 0.432 279 S N 2.535 118.219 115.700 -0.027 0.000 2.541 279 S HA 0.822 5.292 4.470 -0.000 0.000 0.283 279 S C -0.577 174.015 174.600 -0.013 0.000 1.196 279 S CA -0.551 57.640 58.200 -0.016 0.000 1.062 279 S CB 0.902 64.093 63.200 -0.014 0.000 1.009 279 S HN 0.678 nan 8.310 nan 0.000 0.502 280 L N 2.569 123.788 121.223 -0.006 0.000 2.406 280 L HA 0.527 4.867 4.340 -0.000 0.000 0.270 280 L C 0.267 177.138 176.870 0.002 0.000 0.982 280 L CA -0.798 54.041 54.840 -0.002 0.000 0.843 280 L CB 1.449 43.510 42.059 0.003 0.000 1.225 280 L HN 0.731 nan 8.230 nan 0.000 0.412 281 A N 2.616 125.437 122.820 0.001 0.000 2.492 281 A HA 0.550 4.870 4.320 -0.000 0.000 0.236 281 A C 0.800 178.389 177.584 0.008 0.000 1.078 281 A CA 0.220 52.259 52.037 0.003 0.000 0.773 281 A CB 0.353 19.354 19.000 0.001 0.000 1.023 281 A HN 0.851 nan 8.150 nan 0.000 0.504 282 A N 1.425 124.251 122.820 0.010 0.000 2.580 282 A HA 0.389 4.709 4.320 -0.000 0.000 0.244 282 A C 1.060 178.653 177.584 0.015 0.000 1.045 282 A CA 0.770 52.816 52.037 0.015 0.000 0.761 282 A CB -0.199 18.809 19.000 0.013 0.000 0.962 282 A HN 1.195 nan 8.150 nan 0.000 0.512 283 K N -0.399 120.015 120.400 0.022 0.000 3.547 283 K HA -0.183 4.137 4.320 -0.000 0.000 0.309 283 K C 0.139 176.750 176.600 0.017 0.000 1.324 283 K CA 1.766 58.067 56.287 0.023 0.000 0.988 283 K CB -1.846 30.665 32.500 0.018 0.000 1.261 283 K HN 1.020 nan 8.250 nan 0.000 0.444 284 E N 1.006 121.214 120.200 0.013 0.000 2.354 284 E HA 0.260 4.610 4.350 -0.000 0.000 0.269 284 E C -0.227 176.378 176.600 0.007 0.000 1.036 284 E CA -0.400 56.004 56.400 0.006 0.000 0.876 284 E CB 0.741 30.442 29.700 0.002 0.000 1.009 284 E HN 0.204 nan 8.360 nan 0.000 0.416 285 R N 3.295 123.797 120.500 0.003 0.000 2.599 285 R HA 0.376 4.716 4.340 -0.000 0.000 0.295 285 R C -1.111 175.188 176.300 -0.003 0.000 0.963 285 R CA -0.637 55.464 56.100 0.002 0.000 0.883 285 R CB 1.054 31.355 30.300 0.001 0.000 1.171 285 R HN 0.416 nan 8.270 nan 0.000 0.450 286 K N 1.746 122.145 120.400 -0.003 0.000 2.422 286 K HA 0.309 4.629 4.320 -0.000 0.000 0.251 286 K C -1.215 175.385 176.600 -0.001 0.000 0.933 286 K CA -0.820 55.462 56.287 -0.008 0.000 0.798 286 K CB 2.602 35.090 32.500 -0.020 0.000 1.238 286 K HN 0.494 nan 8.250 nan 0.000 0.428 287 T N 1.929 116.484 114.554 0.002 0.000 2.743 287 T HA 0.192 4.542 4.350 -0.000 0.000 0.293 287 T C -0.229 174.456 174.700 -0.025 0.000 0.945 287 T CA -0.503 61.605 62.100 0.012 0.000 1.030 287 T CB 0.613 69.502 68.868 0.035 0.000 0.912 287 T HN 0.137 nan 8.240 nan 0.000 0.483 288 V N 4.965 124.854 119.914 -0.042 0.000 2.385 288 V HA 0.279 4.399 4.120 -0.000 0.000 0.269 288 V C 0.623 176.648 176.094 -0.115 0.000 1.043 288 V CA -0.567 61.652 62.300 -0.136 0.000 0.906 288 V CB 1.034 32.734 31.823 -0.205 0.000 0.995 288 V HN 0.906 nan 8.190 nan 0.000 0.467 289 T N 6.404 120.874 114.554 -0.140 0.000 2.743 289 T HA 0.537 4.887 4.350 -0.000 0.000 0.292 289 T C -0.241 174.387 174.700 -0.119 0.000 0.972 289 T CA -0.054 62.008 62.100 -0.063 0.000 0.967 289 T CB 0.187 69.029 68.868 -0.044 0.000 0.926 289 T HN 0.287 nan 8.240 nan 0.000 0.459 290 F N 3.759 123.658 119.950 -0.084 0.000 2.410 290 F HA 0.345 4.871 4.527 -0.000 0.000 0.334 290 F C -1.529 174.233 175.800 -0.063 0.000 1.134 290 F CA -2.290 55.668 58.000 -0.070 0.000 1.227 290 F CB 0.146 39.099 39.000 -0.079 0.000 1.194 290 F HN 0.339 nan 8.300 nan 0.000 0.571 291 P HA -0.032 nan 4.420 nan 0.000 0.267 291 P C -0.501 176.837 177.300 0.062 0.000 1.200 291 P CA -0.296 62.841 63.100 0.062 0.000 0.772 291 P CB 0.428 32.159 31.700 0.051 0.000 0.855 292 L N 3.580 124.819 121.223 0.027 0.000 2.653 292 L HA -0.081 4.259 4.340 -0.000 0.000 0.288 292 L C -0.399 176.475 176.870 0.007 0.000 1.243 292 L CA 0.966 55.811 54.840 0.009 0.000 0.906 292 L CB 0.083 42.150 42.059 0.013 0.000 1.154 292 L HN 0.083 nan 8.230 nan 0.000 0.498 293 V N 5.585 125.485 119.914 -0.024 0.000 2.357 293 V HA 0.519 4.639 4.120 -0.000 0.000 0.284 293 V C 0.777 176.847 176.094 -0.040 0.000 1.018 293 V CA -0.319 61.961 62.300 -0.033 0.000 0.841 293 V CB 1.025 32.806 31.823 -0.069 0.000 0.991 293 V HN 0.929 nan 8.190 nan 0.000 0.437 294 G N 4.000 112.807 108.800 0.012 0.000 2.415 294 G HA2 0.544 4.503 3.960 -0.000 0.000 0.269 294 G HA3 0.544 4.503 3.960 -0.000 0.000 0.269 294 G C -1.158 173.714 174.900 -0.047 0.000 1.209 294 G CA -0.246 44.878 45.100 0.040 0.000 0.835 294 G HN 0.529 nan 8.290 nan 0.000 0.534 295 L N 1.855 122.945 121.223 -0.221 0.000 2.441 295 L HA 0.422 4.762 4.340 -0.000 0.000 0.270 295 L C -1.163 175.627 176.870 -0.134 0.000 0.973 295 L CA -0.791 53.951 54.840 -0.164 0.000 0.842 295 L CB 1.997 43.927 42.059 -0.216 0.000 1.239 295 L HN 0.396 nan 8.230 nan 0.000 0.406 296 D N 4.843 125.269 120.400 0.044 0.000 2.210 296 D HA 0.347 4.987 4.640 -0.000 0.000 0.249 296 D C 0.034 176.381 176.300 0.079 0.000 1.062 296 D CA -0.241 53.832 54.000 0.121 0.000 0.891 296 D CB 1.157 42.038 40.800 0.135 0.000 1.186 296 D HN 0.418 nan 8.370 nan 0.000 0.432 297 R N 0.389 120.945 120.500 0.093 0.000 3.109 297 R HA -0.135 4.205 4.340 -0.000 0.000 0.241 297 R C -2.073 174.282 176.300 0.092 0.000 0.882 297 R CA -0.059 56.094 56.100 0.087 0.000 0.604 297 R CB -1.699 28.646 30.300 0.075 0.000 1.040 297 R HN 0.364 nan 8.270 nan 0.000 0.480 298 P HA -0.049 nan 4.420 nan 0.000 0.269 298 P C -0.380 177.034 177.300 0.191 0.000 1.209 298 P CA 0.025 63.227 63.100 0.169 0.000 0.776 298 P CB 0.473 32.251 31.700 0.130 0.000 0.876 299 N N 1.123 119.944 118.700 0.203 0.000 2.434 299 N HA 0.098 4.838 4.740 -0.000 0.000 0.273 299 N C -0.129 175.484 175.510 0.173 0.000 1.210 299 N CA -0.265 52.809 53.050 0.039 0.000 0.992 299 N CB 0.145 38.384 38.487 -0.414 0.000 1.355 299 N HN 0.207 nan 8.380 nan 0.000 0.495 300 V N 2.492 122.521 119.914 0.193 0.000 2.655 300 V HA -0.060 4.060 4.120 -0.000 0.000 0.300 300 V C 0.307 176.465 176.094 0.107 0.000 1.044 300 V CA -0.332 62.036 62.300 0.114 0.000 1.095 300 V CB 0.313 32.138 31.823 0.003 0.000 0.952 300 V HN 0.561 nan 8.190 nan 0.000 0.485 301 W N 5.651 126.872 121.300 -0.132 0.000 2.287 301 W HA 0.521 5.181 4.660 -0.000 0.000 0.313 301 W C -0.845 175.505 176.519 -0.283 0.000 1.267 301 W CA -0.563 56.734 57.345 -0.079 0.000 1.201 301 W CB 0.663 30.090 29.460 -0.055 0.000 1.196 301 W HN 0.541 nan 8.180 nan 0.000 0.536 302 W N 6.996 128.004 121.300 -0.487 0.000 2.799 302 W HA 0.430 5.090 4.660 -0.000 0.000 0.349 302 W C -1.853 174.041 176.519 -1.042 0.000 1.100 302 W CA -2.263 54.803 57.345 -0.464 0.000 1.174 302 W CB 0.541 29.845 29.460 -0.261 0.000 1.427 302 W HN 0.173 nan 8.180 nan 0.000 0.547 303 P HA 0.087 nan 4.420 nan 0.000 0.269 303 P C -0.425 176.761 177.300 -0.190 0.000 1.217 303 P CA -0.068 62.894 63.100 -0.231 0.000 0.783 303 P CB 0.337 32.066 31.700 0.048 0.000 0.898 304 A N 2.199 124.921 122.820 -0.162 0.000 2.567 304 A HA 0.361 4.681 4.320 -0.000 0.000 0.240 304 A C 1.571 179.102 177.584 -0.089 0.000 1.053 304 A CA 1.008 52.972 52.037 -0.122 0.000 0.755 304 A CB -1.603 17.348 19.000 -0.082 0.000 0.978 304 A HN 0.885 nan 8.150 nan 0.000 0.507 305 G N 1.377 110.117 108.800 -0.101 0.000 2.217 305 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.246 305 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.246 305 G C 0.656 175.480 174.900 -0.127 0.000 0.990 305 G CA 0.728 45.771 45.100 -0.095 0.000 0.627 305 G HN 0.727 nan 8.290 nan 0.000 0.522 306 M N 0.311 119.825 119.600 -0.142 0.000 2.313 306 M HA 0.475 4.955 4.480 -0.000 0.000 0.273 306 M C 1.128 177.083 176.300 -0.575 0.000 1.049 306 M CA 1.072 56.221 55.300 -0.251 0.000 1.004 306 M CB 1.153 33.735 32.600 -0.030 0.000 1.461 306 M HN 0.972 nan 8.290 nan 0.000 0.514 307 G N -0.452 108.125 108.800 -0.372 0.000 2.350 307 G HA2 0.313 4.273 3.960 -0.000 0.000 0.276 307 G HA3 0.313 4.273 3.960 -0.000 0.000 0.276 307 G C -1.071 173.753 174.900 -0.125 0.000 1.313 307 G CA -0.592 44.269 45.100 -0.399 0.000 0.903 307 G HN 0.225 nan 8.290 nan 0.000 0.490 308 G N -1.534 107.267 108.800 0.001 0.000 2.547 308 G HA2 0.506 4.466 3.960 -0.000 0.000 0.291 308 G HA3 0.506 4.466 3.960 -0.000 0.000 0.291 308 G C -0.151 174.685 174.900 -0.107 0.000 1.211 308 G CA -0.120 44.967 45.100 -0.023 0.000 0.950 308 G HN 0.512 nan 8.290 nan 0.000 0.504 309 Q N -0.836 118.880 119.800 -0.140 0.000 2.211 309 Q HA 0.185 4.525 4.340 -0.000 0.000 0.301 309 Q C -0.262 175.798 176.000 0.100 0.000 0.884 309 Q CA -0.422 55.218 55.803 -0.272 0.000 1.115 309 Q CB 0.282 28.900 28.738 -0.200 0.000 1.217 309 Q HN 0.716 nan 8.270 nan 0.000 0.451 310 H N 0.374 119.459 119.070 0.025 0.000 2.848 310 H HA 0.274 4.830 4.556 -0.000 0.000 0.341 310 H C -0.460 174.868 175.328 0.001 0.000 1.060 310 H CA 0.538 56.561 56.048 -0.041 0.000 1.444 310 H CB 0.479 30.130 29.762 -0.186 0.000 1.446 310 H HN 0.031 nan 8.280 nan 0.000 0.583 311 R N 3.722 123.772 120.500 -0.750 0.000 2.599 311 R HA 0.278 4.618 4.340 -0.000 0.000 0.295 311 R C -1.001 174.636 176.300 -1.106 0.000 0.963 311 R CA -0.748 54.939 56.100 -0.688 0.000 0.883 311 R CB 1.275 31.371 30.300 -0.340 0.000 1.171 311 R HN 0.540 nan 8.270 nan 0.000 0.450 312 Y N 0.403 120.205 120.300 -0.830 0.000 2.326 312 Y HA 0.177 4.727 4.550 -0.000 0.000 0.324 312 Y C 0.500 176.058 175.900 -0.570 0.000 1.291 312 Y CA 0.043 57.721 58.100 -0.705 0.000 1.348 312 Y CB 0.880 38.772 38.460 -0.947 0.000 1.294 312 Y HN 0.374 nan 8.280 nan 0.000 0.525 313 D N 1.507 121.885 120.400 -0.038 0.000 2.185 313 D HA 0.311 4.951 4.640 -0.000 0.000 0.247 313 D C -1.292 175.135 176.300 0.212 0.000 1.027 313 D CA -0.501 53.535 54.000 0.060 0.000 0.861 313 D CB 2.438 43.264 40.800 0.043 0.000 1.202 313 D HN 0.231 nan 8.370 nan 0.000 0.453 314 L N 2.053 123.404 121.223 0.215 0.000 2.305 314 L HA 0.436 4.776 4.340 -0.000 0.000 0.284 314 L C -1.136 175.761 176.870 0.046 0.000 1.013 314 L CA -0.292 54.623 54.840 0.124 0.000 0.819 314 L CB 1.409 43.513 42.059 0.075 0.000 1.227 314 L HN 0.145 nan 8.230 nan 0.000 0.417 315 D N 5.185 125.590 120.400 0.008 0.000 2.620 315 D HA 0.539 5.179 4.640 -0.000 0.000 0.252 315 D C -1.595 174.694 176.300 -0.017 0.000 1.207 315 D CA -0.077 53.927 54.000 0.007 0.000 0.884 315 D CB 1.040 41.852 40.800 0.020 0.000 1.262 315 D HN 0.579 nan 8.370 nan 0.000 0.552 316 L N 2.208 123.428 121.223 -0.005 0.000 2.409 316 L HA 0.646 4.986 4.340 -0.000 0.000 0.262 316 L C -0.482 176.405 176.870 0.029 0.000 0.992 316 L CA -0.718 54.123 54.840 0.002 0.000 0.817 316 L CB 2.695 44.752 42.059 -0.004 0.000 1.350 316 L HN 0.316 nan 8.230 nan 0.000 0.411 317 T N 1.209 115.790 114.554 0.044 0.000 2.921 317 T HA 0.614 4.964 4.350 -0.000 0.000 0.297 317 T C -0.642 174.094 174.700 0.060 0.000 1.013 317 T CA -0.504 61.624 62.100 0.047 0.000 0.990 317 T CB 1.936 70.829 68.868 0.041 0.000 1.023 317 T HN 0.608 nan 8.240 nan 0.000 0.447 318 A N 2.542 125.394 122.820 0.052 0.000 2.260 318 A HA 0.748 5.068 4.320 -0.000 0.000 0.314 318 A C 0.129 177.738 177.584 0.041 0.000 1.257 318 A CA -0.506 51.562 52.037 0.050 0.000 0.871 318 A CB 0.439 19.465 19.000 0.042 0.000 1.166 318 A HN 0.683 nan 8.150 nan 0.000 0.522 319 S N 0.654 116.378 115.700 0.039 0.000 2.537 319 S HA 0.700 5.170 4.470 -0.000 0.000 0.301 319 S C -0.512 174.105 174.600 0.029 0.000 1.092 319 S CA -0.503 57.717 58.200 0.034 0.000 1.048 319 S CB 1.670 64.890 63.200 0.034 0.000 1.053 319 S HN 0.633 nan 8.310 nan 0.000 0.501 320 V N 1.223 121.154 119.914 0.028 0.000 2.638 320 V HA 0.678 4.798 4.120 -0.000 0.000 0.306 320 V C 0.780 176.888 176.094 0.024 0.000 1.052 320 V CA -0.219 62.096 62.300 0.025 0.000 0.885 320 V CB 1.055 32.894 31.823 0.026 0.000 0.999 320 V HN 1.219 nan 8.190 nan 0.000 0.424 321 G N 3.036 111.848 108.800 0.020 0.000 2.179 321 G HA2 0.046 4.006 3.960 -0.000 0.000 0.257 321 G HA3 0.046 4.006 3.960 -0.000 0.000 0.257 321 G C 1.180 176.092 174.900 0.020 0.000 1.010 321 G CA 0.785 45.896 45.100 0.019 0.000 0.736 321 G HN 2.470 nan 8.290 nan 0.000 0.513 322 G N -2.088 106.725 108.800 0.021 0.000 2.143 322 G HA2 0.160 4.119 3.960 -0.000 0.000 0.249 322 G HA3 0.160 4.119 3.960 -0.000 0.000 0.249 322 G C 0.698 175.612 174.900 0.024 0.000 0.981 322 G CA 1.622 46.735 45.100 0.022 0.000 0.665 322 G HN 2.737 nan 8.290 nan 0.000 0.528 323 T N -1.702 112.867 114.554 0.026 0.000 2.893 323 T HA 0.712 5.062 4.350 -0.000 0.000 0.291 323 T C -3.123 171.596 174.700 0.032 0.000 1.028 323 T CA -1.857 60.260 62.100 0.029 0.000 0.995 323 T CB 3.303 72.188 68.868 0.028 0.000 1.051 323 T HN -0.016 nan 8.240 nan 0.000 0.470 324 P HA 0.234 nan 4.420 nan 0.000 0.267 324 P C 0.380 177.704 177.300 0.040 0.000 1.205 324 P CA -0.160 62.962 63.100 0.037 0.000 0.765 324 P CB 1.070 32.792 31.700 0.037 0.000 0.828 325 S N 1.733 117.458 115.700 0.041 0.000 2.412 325 S HA 0.049 4.519 4.470 -0.000 0.000 0.223 325 S C 0.438 175.066 174.600 0.047 0.000 1.048 325 S CA 0.780 59.008 58.200 0.046 0.000 0.954 325 S CB -0.073 63.154 63.200 0.045 0.000 0.840 325 S HN 0.527 nan 8.310 nan 0.000 0.503 326 D N -1.103 119.320 120.400 0.038 0.000 2.596 326 D HA 0.730 5.370 4.640 -0.000 0.000 0.262 326 D C -1.504 174.815 176.300 0.032 0.000 1.210 326 D CA -0.091 53.927 54.000 0.031 0.000 0.873 326 D CB 2.092 42.898 40.800 0.010 0.000 1.408 326 D HN 0.356 nan 8.370 nan 0.000 0.441 327 A N 0.057 122.896 122.820 0.031 0.000 2.549 327 A HA 0.868 5.188 4.320 -0.000 0.000 0.297 327 A C -1.695 175.908 177.584 0.031 0.000 1.061 327 A CA -0.108 51.949 52.037 0.033 0.000 0.690 327 A CB 1.721 20.742 19.000 0.036 0.000 1.287 327 A HN 0.828 nan 8.150 nan 0.000 0.402 328 A N 1.664 124.502 122.820 0.030 0.000 2.465 328 A HA 0.695 5.015 4.320 -0.000 0.000 0.292 328 A C -1.012 176.589 177.584 0.029 0.000 1.041 328 A CA -0.577 51.478 52.037 0.030 0.000 0.718 328 A CB 1.124 20.142 19.000 0.029 0.000 1.266 328 A HN 0.649 nan 8.150 nan 0.000 0.403 329 K N 1.404 121.824 120.400 0.034 0.000 2.221 329 K HA 0.762 5.082 4.320 -0.000 0.000 0.258 329 K C -0.303 176.320 176.600 0.039 0.000 0.944 329 K CA -0.403 55.906 56.287 0.035 0.000 0.823 329 K CB 2.054 34.576 32.500 0.036 0.000 1.113 329 K HN 0.909 nan 8.250 nan 0.000 0.431 330 S N 1.656 117.384 115.700 0.045 0.000 2.671 330 S HA 0.550 5.020 4.470 -0.000 0.000 0.277 330 S C -1.011 173.626 174.600 0.060 0.000 1.165 330 S CA -1.095 57.131 58.200 0.042 0.000 0.822 330 S CB 1.885 65.107 63.200 0.036 0.000 1.150 330 S HN 0.479 nan 8.310 nan 0.000 0.479 331 K N -0.054 120.359 120.400 0.023 0.000 2.306 331 K HA 0.828 5.148 4.320 -0.000 0.000 0.236 331 K C -1.357 175.288 176.600 0.075 0.000 1.013 331 K CA -0.751 55.533 56.287 -0.006 0.000 0.857 331 K CB 1.530 33.972 32.500 -0.097 0.000 1.214 331 K HN 0.726 nan 8.250 nan 0.000 0.449 332 F N -2.617 117.276 119.950 -0.097 0.000 2.693 332 F HA 0.615 5.142 4.527 -0.000 0.000 0.309 332 F C -0.757 175.008 175.800 -0.058 0.000 1.129 332 F CA -1.131 56.800 58.000 -0.115 0.000 0.948 332 F CB 1.113 40.061 39.000 -0.086 0.000 1.315 332 F HN 0.499 nan 8.300 nan 0.000 0.447 333 G N 0.816 109.595 108.800 -0.035 0.000 2.420 333 G HA2 0.576 4.536 3.960 -0.000 0.000 0.331 333 G HA3 0.576 4.536 3.960 -0.000 0.000 0.331 333 G C -1.787 173.194 174.900 0.134 0.000 1.168 333 G CA -1.141 43.921 45.100 -0.064 0.000 0.936 333 G HN 0.695 nan 8.290 nan 0.000 0.479 334 V N 2.796 122.840 119.914 0.216 0.000 2.334 334 V HA 0.589 4.709 4.120 -0.000 0.000 0.267 334 V C 0.419 176.566 176.094 0.088 0.000 1.040 334 V CA -0.416 61.999 62.300 0.190 0.000 0.866 334 V CB 0.206 32.183 31.823 0.257 0.000 1.019 334 V HN 0.797 nan 8.190 nan 0.000 0.468 335 R N 3.376 123.883 120.500 0.011 0.000 2.579 335 R HA 0.361 4.701 4.340 -0.000 0.000 0.260 335 R C -1.995 174.270 176.300 -0.059 0.000 1.103 335 R CA -0.557 55.519 56.100 -0.039 0.000 0.942 335 R CB 2.452 32.749 30.300 -0.005 0.000 1.251 335 R HN 0.726 nan 8.270 nan 0.000 0.450 336 D N 2.167 122.524 120.400 -0.073 0.000 2.163 336 D HA 0.460 5.100 4.640 -0.000 0.000 0.248 336 D C -1.324 174.966 176.300 -0.016 0.000 1.035 336 D CA -0.479 53.494 54.000 -0.046 0.000 0.872 336 D CB 2.033 42.812 40.800 -0.034 0.000 1.183 336 D HN 0.297 nan 8.370 nan 0.000 0.445 337 V N 2.750 122.660 119.914 -0.007 0.000 2.709 337 V HA 0.602 4.722 4.120 -0.000 0.000 0.308 337 V C -1.532 174.581 176.094 0.031 0.000 1.062 337 V CA -0.527 61.799 62.300 0.043 0.000 0.901 337 V CB 1.593 33.463 31.823 0.079 0.000 1.003 337 V HN 0.615 nan 8.190 nan 0.000 0.425 338 K N 4.464 124.897 120.400 0.056 0.000 2.385 338 K HA 0.893 5.212 4.320 -0.000 0.000 0.248 338 K C -1.069 175.508 176.600 -0.038 0.000 0.955 338 K CA -0.568 55.723 56.287 0.007 0.000 0.816 338 K CB 2.439 34.943 32.500 0.008 0.000 1.250 338 K HN 0.923 nan 8.250 nan 0.000 0.434 339 A N 1.612 124.329 122.820 -0.172 0.000 2.522 339 A HA 0.429 4.749 4.320 -0.000 0.000 0.285 339 A C -0.524 176.903 177.584 -0.262 0.000 1.198 339 A CA -0.611 51.172 52.037 -0.425 0.000 0.742 339 A CB 0.557 19.005 19.000 -0.919 0.000 1.176 339 A HN 0.682 nan 8.150 nan 0.000 0.444 340 T N -0.231 114.228 114.554 -0.158 0.000 2.942 340 T HA 0.758 5.108 4.350 -0.000 0.000 0.289 340 T C -0.241 174.425 174.700 -0.057 0.000 1.044 340 T CA -0.805 61.243 62.100 -0.086 0.000 1.023 340 T CB 0.938 69.784 68.868 -0.037 0.000 1.123 340 T HN 0.376 nan 8.240 nan 0.000 0.512 341 L N 3.195 124.399 121.223 -0.031 0.000 2.305 341 L HA 0.381 4.721 4.340 -0.000 0.000 0.281 341 L C 0.788 177.670 176.870 0.020 0.000 1.085 341 L CA -1.000 53.840 54.840 0.000 0.000 0.813 341 L CB 0.354 42.414 42.059 0.001 0.000 1.157 341 L HN 0.803 nan 8.230 nan 0.000 0.436 342 N N 0.634 119.360 118.700 0.044 0.000 2.366 342 N HA 0.041 4.781 4.740 -0.000 0.000 0.277 342 N C 0.912 176.443 175.510 0.035 0.000 1.275 342 N CA -0.194 52.882 53.050 0.044 0.000 0.964 342 N CB 0.262 38.786 38.487 0.061 0.000 1.167 342 N HN 0.537 nan 8.380 nan 0.000 0.568 343 S N -1.944 113.772 115.700 0.026 0.000 2.469 343 S HA -0.085 4.385 4.470 -0.000 0.000 0.238 343 S C 0.973 175.585 174.600 0.020 0.000 0.998 343 S CA 0.658 58.868 58.200 0.017 0.000 0.957 343 S CB -0.644 62.561 63.200 0.009 0.000 0.764 343 S HN 0.518 nan 8.310 nan 0.000 0.514 344 S N 0.379 116.100 115.700 0.034 0.000 2.556 344 S HA 0.490 4.960 4.470 -0.000 0.000 0.216 344 S C 1.418 176.057 174.600 0.065 0.000 0.970 344 S CA 0.199 58.424 58.200 0.041 0.000 0.912 344 S CB 0.196 63.428 63.200 0.052 0.000 0.790 344 S HN 0.996 nan 8.310 nan 0.000 0.504 345 G N 1.348 110.185 108.800 0.062 0.000 2.159 345 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.256 345 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.256 345 G C 0.268 175.229 174.900 0.102 0.000 0.977 345 G CA -0.255 44.888 45.100 0.072 0.000 0.652 345 G HN 0.797 nan 8.290 nan 0.000 0.531 346 G N -0.348 108.528 108.800 0.126 0.000 2.372 346 G HA2 0.571 4.531 3.960 -0.000 0.000 0.283 346 G HA3 0.571 4.531 3.960 -0.000 0.000 0.283 346 G C 0.116 175.098 174.900 0.138 0.000 1.177 346 G CA -0.288 44.911 45.100 0.165 0.000 0.842 346 G HN 0.536 nan 8.290 nan 0.000 0.503 347 R N 0.901 121.484 120.500 0.138 0.000 2.421 347 R HA 0.250 4.590 4.340 -0.000 0.000 0.305 347 R C -0.156 176.246 176.300 0.169 0.000 1.039 347 R CA -0.068 56.060 56.100 0.047 0.000 1.003 347 R CB 0.539 30.775 30.300 -0.107 0.000 0.959 347 R HN 0.478 nan 8.270 nan 0.000 0.427 348 Q N 4.427 124.269 119.800 0.069 0.000 2.339 348 Q HA 0.256 4.596 4.340 -0.000 0.000 0.268 348 Q C -1.670 174.389 176.000 0.098 0.000 1.027 348 Q CA -0.461 55.455 55.803 0.188 0.000 0.759 348 Q CB 0.668 29.509 28.738 0.172 0.000 1.244 348 Q HN 0.624 nan 8.270 nan 0.000 0.464 349 Y N 1.220 121.639 120.300 0.198 0.000 2.304 349 Y HA 0.532 5.082 4.550 -0.000 0.000 0.327 349 Y C 0.517 176.510 175.900 0.154 0.000 1.209 349 Y CA 0.142 58.335 58.100 0.155 0.000 1.299 349 Y CB 1.610 40.175 38.460 0.174 0.000 1.249 349 Y HN 0.680 nan 8.280 nan 0.000 0.519 350 S N 0.584 116.453 115.700 0.281 0.000 2.541 350 S HA 0.778 5.248 4.470 -0.000 0.000 0.280 350 S C -1.564 173.152 174.600 0.194 0.000 1.112 350 S CA -0.933 57.399 58.200 0.220 0.000 0.925 350 S CB 1.403 64.701 63.200 0.163 0.000 1.067 350 S HN 0.327 nan 8.310 nan 0.000 0.479 351 V N 2.619 122.644 119.914 0.185 0.000 2.409 351 V HA 0.489 4.609 4.120 -0.000 0.000 0.291 351 V C 0.162 176.294 176.094 0.063 0.000 1.020 351 V CA -0.806 61.575 62.300 0.135 0.000 0.848 351 V CB 0.476 32.409 31.823 0.183 0.000 0.990 351 V HN 1.144 nan 8.190 nan 0.000 0.430 352 N N 3.686 122.365 118.700 -0.035 0.000 2.735 352 N HA -0.224 4.516 4.740 -0.000 0.000 0.248 352 N C 1.090 176.631 175.510 0.051 0.000 1.083 352 N CA 0.572 53.555 53.050 -0.111 0.000 0.703 352 N CB -0.860 37.308 38.487 -0.533 0.000 1.005 352 N HN 1.433 nan 8.380 nan 0.000 0.550 353 G N -1.100 107.749 108.800 0.082 0.000 2.189 353 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.267 353 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.267 353 G C -0.139 174.851 174.900 0.151 0.000 0.975 353 G CA 0.623 45.789 45.100 0.109 0.000 0.644 353 G HN 0.297 nan 8.290 nan 0.000 0.537 354 K N 1.533 122.050 120.400 0.196 0.000 2.253 354 K HA 0.428 4.748 4.320 -0.000 0.000 0.277 354 K C -2.325 174.402 176.600 0.211 0.000 1.053 354 K CA -2.249 54.168 56.287 0.217 0.000 0.892 354 K CB 1.894 34.563 32.500 0.281 0.000 1.102 354 K HN 0.207 nan 8.250 nan 0.000 0.469 355 P HA 0.175 nan 4.420 nan 0.000 0.271 355 P C -0.591 176.886 177.300 0.294 0.000 1.218 355 P CA -0.527 62.726 63.100 0.255 0.000 0.780 355 P CB 0.669 32.517 31.700 0.247 0.000 0.901 356 L N 2.218 123.610 121.223 0.282 0.000 2.422 356 L HA 0.387 4.727 4.340 -0.000 0.000 0.264 356 L C -0.448 176.383 176.870 -0.065 0.000 0.984 356 L CA -1.011 53.902 54.840 0.123 0.000 0.819 356 L CB 1.559 43.682 42.059 0.106 0.000 1.330 356 L HN 0.244 nan 8.230 nan 0.000 0.410 357 L N 4.273 125.112 121.223 -0.639 0.000 2.361 357 L HA 0.363 4.703 4.340 -0.000 0.000 0.278 357 L C -0.266 176.443 176.870 -0.268 0.000 1.113 357 L CA 0.180 54.615 54.840 -0.674 0.000 0.849 357 L CB 0.141 41.567 42.059 -1.055 0.000 1.155 357 L HN 0.274 nan 8.230 nan 0.000 0.452 358 I N 6.274 126.753 120.570 -0.152 0.000 2.587 358 I HA 0.097 4.267 4.170 -0.000 0.000 0.284 358 I C 0.433 176.440 176.117 -0.183 0.000 1.134 358 I CA 0.517 61.741 61.300 -0.127 0.000 1.410 358 I CB -0.251 37.729 38.000 -0.034 0.000 1.392 358 I HN 0.620 nan 8.210 nan 0.000 0.545 359 R N 4.704 125.152 120.500 -0.087 0.000 2.371 359 R HA 0.656 4.996 4.340 -0.000 0.000 0.312 359 R C 0.190 176.533 176.300 0.073 0.000 0.980 359 R CA -0.417 55.693 56.100 0.017 0.000 0.867 359 R CB 1.958 32.272 30.300 0.024 0.000 1.163 359 R HN 0.866 nan 8.270 nan 0.000 0.492 360 G N 0.430 109.307 108.800 0.130 0.000 2.815 360 G HA2 0.728 4.688 3.960 -0.000 0.000 0.305 360 G HA3 0.728 4.688 3.960 -0.000 0.000 0.305 360 G C -1.200 173.818 174.900 0.197 0.000 1.277 360 G CA -0.688 44.487 45.100 0.125 0.000 0.795 360 G HN 0.561 nan 8.290 nan 0.000 0.528 361 G N -1.794 107.102 108.800 0.160 0.000 2.660 361 G HA2 0.629 4.589 3.960 -0.000 0.000 0.294 361 G HA3 0.629 4.589 3.960 -0.000 0.000 0.294 361 G C -0.255 174.706 174.900 0.101 0.000 1.369 361 G CA 0.136 45.333 45.100 0.161 0.000 0.912 361 G HN 1.191 nan 8.290 nan 0.000 0.479 362 G N -0.464 108.333 108.800 -0.006 0.000 2.356 362 G HA2 0.414 4.373 3.960 -0.000 0.000 0.273 362 G HA3 0.414 4.373 3.960 -0.000 0.000 0.273 362 G C -0.560 174.156 174.900 -0.307 0.000 1.213 362 G CA -0.052 44.927 45.100 -0.202 0.000 0.955 362 G HN 0.617 nan 8.290 nan 0.000 0.454 363 Y N 2.534 122.716 120.300 -0.196 0.000 2.304 363 Y HA 0.557 5.107 4.550 -0.000 0.000 0.328 363 Y C 0.517 176.298 175.900 -0.198 0.000 1.123 363 Y CA -0.197 57.817 58.100 -0.143 0.000 1.218 363 Y CB 1.825 40.305 38.460 0.033 0.000 1.207 363 Y HN 0.515 nan 8.280 nan 0.000 0.495 364 T N 8.313 122.301 114.554 -0.943 0.000 2.893 364 T HA 0.535 4.885 4.350 -0.000 0.000 0.293 364 T C -2.895 171.313 174.700 -0.820 0.000 1.027 364 T CA -2.313 59.419 62.100 -0.615 0.000 0.988 364 T CB 1.456 70.171 68.868 -0.255 0.000 1.043 364 T HN 0.532 nan 8.240 nan 0.000 0.461 365 P HA 0.244 nan 4.420 nan 0.000 0.277 365 P C -0.560 176.801 177.300 0.102 0.000 1.276 365 P CA -0.281 62.850 63.100 0.051 0.000 0.788 365 P CB 0.318 32.186 31.700 0.281 0.000 1.114 366 D N -0.872 119.608 120.400 0.134 0.000 2.449 366 D HA -0.074 4.566 4.640 -0.000 0.000 0.236 366 D C 1.287 177.526 176.300 -0.101 0.000 1.149 366 D CA -0.246 53.789 54.000 0.059 0.000 0.878 366 D CB 0.217 41.106 40.800 0.149 0.000 1.198 366 D HN 0.061 nan 8.370 nan 0.000 0.446 367 L N 3.448 124.326 121.223 -0.575 0.000 2.129 367 L HA -0.084 4.256 4.340 -0.000 0.000 0.212 367 L C 0.980 177.279 176.870 -0.953 0.000 1.087 367 L CA 1.722 55.779 54.840 -1.305 0.000 0.757 367 L CB -0.451 40.624 42.059 -1.640 0.000 0.896 367 L HN 0.543 nan 8.230 nan 0.000 0.434 368 F N -1.048 118.940 119.950 0.064 0.000 2.641 368 F HA 0.336 4.863 4.527 -0.000 0.000 0.302 368 F C 1.046 176.950 175.800 0.173 0.000 1.098 368 F CA -0.722 57.350 58.000 0.120 0.000 1.318 368 F CB -0.575 38.455 39.000 0.050 0.000 1.035 368 F HN -0.175 nan 8.300 nan 0.000 0.551 369 L N 0.126 121.516 121.223 0.279 0.000 3.737 369 L HA -0.307 4.033 4.340 -0.000 0.000 0.418 369 L C 0.277 177.327 176.870 0.300 0.000 1.216 369 L CA 0.307 55.332 54.840 0.307 0.000 0.915 369 L CB -1.577 40.653 42.059 0.285 0.000 1.834 369 L HN 0.242 nan 8.230 nan 0.000 0.943 370 R N 0.751 121.418 120.500 0.278 0.000 2.316 370 R HA 0.145 4.485 4.340 -0.000 0.000 0.314 370 R C 0.052 176.526 176.300 0.289 0.000 1.069 370 R CA -0.153 56.099 56.100 0.255 0.000 0.959 370 R CB 0.749 31.161 30.300 0.188 0.000 0.987 370 R HN 0.298 nan 8.270 nan 0.000 0.446 371 W N 5.441 126.825 121.300 0.140 0.000 2.469 371 W HA 0.296 4.956 4.660 -0.000 0.000 0.320 371 W C -1.181 175.414 176.519 0.127 0.000 1.086 371 W CA -0.546 56.884 57.345 0.142 0.000 1.211 371 W CB 1.328 30.874 29.460 0.143 0.000 1.298 371 W HN 0.493 nan 8.180 nan 0.000 0.525 372 N N 4.424 122.531 118.700 -0.987 0.000 2.519 372 N HA -0.027 4.713 4.740 -0.000 0.000 0.291 372 N C 0.290 175.140 175.510 -1.099 0.000 1.107 372 N CA -0.069 52.512 53.050 -0.781 0.000 0.904 372 N CB 1.809 40.109 38.487 -0.312 0.000 1.500 372 N HN 0.730 nan 8.380 nan 0.000 0.510 373 E N 1.859 121.589 120.200 -0.783 0.000 2.077 373 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 373 E C 0.696 177.161 176.600 -0.225 0.000 0.989 373 E CA 1.745 57.925 56.400 -0.367 0.000 0.800 373 E CB 0.318 30.104 29.700 0.144 0.000 0.746 373 E HN 0.641 nan 8.360 nan 0.000 0.452 374 T N 0.484 114.936 114.554 -0.170 0.000 2.746 374 T HA -0.157 4.192 4.350 -0.000 0.000 0.267 374 T C 1.838 176.448 174.700 -0.150 0.000 1.039 374 T CA 1.355 63.385 62.100 -0.117 0.000 1.142 374 T CB -0.321 68.500 68.868 -0.079 0.000 0.866 374 T HN 0.350 nan 8.240 nan 0.000 0.444 375 A N 1.380 124.081 122.820 -0.198 0.000 1.933 375 A HA 0.146 4.466 4.320 -0.000 0.000 0.218 375 A C 2.641 180.145 177.584 -0.133 0.000 1.175 375 A CA 1.844 53.783 52.037 -0.163 0.000 0.628 375 A CB -1.082 17.835 19.000 -0.140 0.000 0.814 375 A HN 0.509 nan 8.150 nan 0.000 0.444 376 A N -0.072 122.630 122.820 -0.196 0.000 1.902 376 A HA 0.133 4.453 4.320 -0.000 0.000 0.217 376 A C 2.515 180.081 177.584 -0.031 0.000 1.181 376 A CA 2.175 54.200 52.037 -0.020 0.000 0.623 376 A CB -1.043 17.948 19.000 -0.015 0.000 0.818 376 A HN 1.073 nan 8.150 nan 0.000 0.443 377 A N 0.033 122.805 122.820 -0.081 0.000 1.902 377 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 377 A C 1.746 179.269 177.584 -0.101 0.000 1.181 377 A CA 1.869 53.856 52.037 -0.084 0.000 0.623 377 A CB -0.590 18.375 19.000 -0.057 0.000 0.818 377 A HN 0.473 nan 8.150 nan 0.000 0.443 378 D N -0.096 120.220 120.400 -0.139 0.000 2.144 378 D HA -0.122 4.518 4.640 -0.000 0.000 0.199 378 D C 1.907 177.997 176.300 -0.350 0.000 0.984 378 D CA 1.391 55.252 54.000 -0.233 0.000 0.834 378 D CB -0.244 40.379 40.800 -0.295 0.000 0.955 378 D HN 0.519 nan 8.370 nan 0.000 0.465 379 K N 0.102 120.361 120.400 -0.236 0.000 2.062 379 K HA 0.017 4.337 4.320 -0.000 0.000 0.205 379 K C 2.330 178.950 176.600 0.032 0.000 1.051 379 K CA 0.423 56.619 56.287 -0.152 0.000 0.941 379 K CB -0.046 32.615 32.500 0.268 0.000 0.719 379 K HN 0.117 nan 8.250 nan 0.000 0.440 380 L N 1.184 122.405 121.223 -0.003 0.000 2.093 380 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 380 L C 2.191 179.057 176.870 -0.007 0.000 1.085 380 L CA 1.259 56.070 54.840 -0.048 0.000 0.755 380 L CB -0.247 41.675 42.059 -0.227 0.000 0.904 380 L HN 0.099 nan 8.230 nan 0.000 0.435 381 K N -0.943 119.452 120.400 -0.008 0.000 2.103 381 K HA -0.208 4.112 4.320 -0.000 0.000 0.207 381 K C 2.125 178.819 176.600 0.157 0.000 1.048 381 K CA 1.388 57.704 56.287 0.048 0.000 0.930 381 K CB -0.235 32.289 32.500 0.040 0.000 0.716 381 K HN 0.131 nan 8.250 nan 0.000 0.444 382 Y N 1.007 121.260 120.300 -0.079 0.000 2.224 382 Y HA -0.211 4.339 4.550 -0.000 0.000 0.289 382 Y C 2.310 178.237 175.900 0.045 0.000 1.146 382 Y CA 0.265 58.342 58.100 -0.038 0.000 1.182 382 Y CB -0.821 37.454 38.460 -0.308 0.000 0.983 382 Y HN -0.208 nan 8.280 nan 0.000 0.524 383 V N 0.207 120.245 119.914 0.206 0.000 2.250 383 V HA -0.357 3.763 4.120 -0.000 0.000 0.250 383 V C 2.434 178.534 176.094 0.011 0.000 1.060 383 V CA 2.073 64.438 62.300 0.107 0.000 1.030 383 V CB -0.973 30.908 31.823 0.097 0.000 0.643 383 V HN 0.352 nan 8.190 nan 0.000 0.445 384 L N 0.033 121.265 121.223 0.016 0.000 2.093 384 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 384 L C 2.517 179.371 176.870 -0.028 0.000 1.085 384 L CA 1.807 56.637 54.840 -0.017 0.000 0.755 384 L CB -0.883 41.169 42.059 -0.012 0.000 0.904 384 L HN 0.486 nan 8.230 nan 0.000 0.435 385 N N 1.071 119.774 118.700 0.005 0.000 2.149 385 N HA -0.191 4.549 4.740 -0.000 0.000 0.188 385 N C 1.913 177.377 175.510 -0.076 0.000 1.019 385 N CA 1.187 54.235 53.050 -0.002 0.000 0.857 385 N CB 0.046 38.547 38.487 0.025 0.000 0.997 385 N HN 0.322 nan 8.380 nan 0.000 0.426 386 L N -0.026 121.096 121.223 -0.168 0.000 2.362 386 L HA 0.009 4.349 4.340 -0.000 0.000 0.219 386 L C 1.540 178.220 176.870 -0.316 0.000 1.134 386 L CA 0.809 55.433 54.840 -0.361 0.000 0.807 386 L CB -0.331 41.457 42.059 -0.452 0.000 0.927 386 L HN 0.386 nan 8.230 nan 0.000 0.447 387 G N -0.068 108.609 108.800 -0.205 0.000 2.148 387 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.254 387 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.254 387 G C 0.276 175.058 174.900 -0.197 0.000 0.981 387 G CA -0.032 44.956 45.100 -0.187 0.000 0.670 387 G HN 0.223 nan 8.290 nan 0.000 0.528 388 L N 0.073 121.176 121.223 -0.199 0.000 2.466 388 L HA 0.390 4.730 4.340 -0.000 0.000 0.257 388 L C 1.545 178.370 176.870 -0.075 0.000 1.189 388 L CA -0.003 54.744 54.840 -0.154 0.000 0.813 388 L CB 0.547 42.527 42.059 -0.132 0.000 1.118 388 L HN 0.327 nan 8.230 nan 0.000 0.471 389 N N -1.936 116.738 118.700 -0.044 0.000 2.227 389 N HA 0.063 4.803 4.740 -0.000 0.000 0.196 389 N C -0.283 175.237 175.510 0.016 0.000 1.142 389 N CA -0.134 52.907 53.050 -0.014 0.000 0.887 389 N CB 0.814 39.291 38.487 -0.016 0.000 1.022 389 N HN 0.516 nan 8.380 nan 0.000 0.500 390 T N 0.051 114.618 114.554 0.022 0.000 2.923 390 T HA 0.568 4.917 4.350 -0.000 0.000 0.311 390 T C -1.221 173.524 174.700 0.075 0.000 1.183 390 T CA -0.771 61.355 62.100 0.044 0.000 1.020 390 T CB 2.329 71.211 68.868 0.023 0.000 1.165 390 T HN 0.096 nan 8.240 nan 0.000 0.482 391 V N 0.215 120.186 119.914 0.095 0.000 2.604 391 V HA 0.778 4.898 4.120 -0.000 0.000 0.305 391 V C -0.307 175.875 176.094 0.146 0.000 1.043 391 V CA -1.201 61.184 62.300 0.142 0.000 0.888 391 V CB 1.816 33.750 31.823 0.186 0.000 0.995 391 V HN 0.892 nan 8.190 nan 0.000 0.429 392 R N 2.953 123.548 120.500 0.158 0.000 2.368 392 R HA 0.722 5.062 4.340 -0.000 0.000 0.302 392 R C -1.577 174.826 176.300 0.171 0.000 1.002 392 R CA -0.769 55.418 56.100 0.145 0.000 0.929 392 R CB 1.415 31.806 30.300 0.151 0.000 1.073 392 R HN 0.789 nan 8.270 nan 0.000 0.464 393 L N 3.870 125.176 121.223 0.137 0.000 2.337 393 L HA 0.272 4.612 4.340 -0.000 0.000 0.269 393 L C -0.116 176.825 176.870 0.118 0.000 1.018 393 L CA 0.046 54.986 54.840 0.167 0.000 0.876 393 L CB 1.489 43.640 42.059 0.154 0.000 1.236 393 L HN 0.618 nan 8.230 nan 0.000 0.436 394 E N 3.529 123.891 120.200 0.269 0.000 1.858 394 E HA 0.425 4.775 4.350 -0.000 0.000 0.267 394 E C 0.857 177.649 176.600 0.320 0.000 1.215 394 E CA 0.437 57.008 56.400 0.285 0.000 0.952 394 E CB 0.180 30.204 29.700 0.540 0.000 1.058 394 E HN 0.739 nan 8.360 nan 0.000 0.407 395 G N 4.227 113.060 108.800 0.056 0.000 2.645 395 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.246 395 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.246 395 G C -0.113 174.873 174.900 0.143 0.000 1.322 395 G CA 0.126 45.205 45.100 -0.036 0.000 0.898 395 G HN 0.994 nan 8.290 nan 0.000 0.573 396 H N -2.078 117.046 119.070 0.090 0.000 2.741 396 H HA -0.161 4.395 4.556 -0.000 0.000 0.305 396 H C 1.080 176.506 175.328 0.164 0.000 1.169 396 H CA 0.824 56.914 56.048 0.070 0.000 1.144 396 H CB -2.049 27.693 29.762 -0.034 0.000 1.397 396 H HN 0.755 nan 8.280 nan 0.000 0.409 397 I N 0.981 121.751 120.570 0.333 0.000 2.587 397 I HA -0.019 4.151 4.170 -0.000 0.000 0.284 397 I C 1.155 177.451 176.117 0.298 0.000 1.134 397 I CA 0.301 61.768 61.300 0.279 0.000 1.410 397 I CB 0.343 38.429 38.000 0.143 0.000 1.392 397 I HN 0.223 nan 8.210 nan 0.000 0.545 398 E N 7.747 128.054 120.200 0.178 0.000 2.408 398 E HA 0.213 4.563 4.350 -0.000 0.000 0.259 398 E C -2.076 174.629 176.600 0.176 0.000 1.110 398 E CA -1.437 54.996 56.400 0.055 0.000 0.929 398 E CB 0.278 29.698 29.700 -0.467 0.000 0.971 398 E HN 0.323 nan 8.360 nan 0.000 0.438 399 P HA -0.047 nan 4.420 nan 0.000 0.270 399 P C 0.326 177.651 177.300 0.043 0.000 1.227 399 P CA -0.046 62.971 63.100 -0.138 0.000 0.788 399 P CB 0.460 31.786 31.700 -0.622 0.000 0.926 400 D N 0.768 121.205 120.400 0.062 0.000 2.149 400 D HA -0.192 4.448 4.640 -0.000 0.000 0.194 400 D C 1.498 177.915 176.300 0.196 0.000 1.001 400 D CA 1.671 55.771 54.000 0.168 0.000 0.849 400 D CB -0.324 40.568 40.800 0.153 0.000 0.939 400 D HN 0.513 nan 8.370 nan 0.000 0.449 401 E N -0.341 119.942 120.200 0.137 0.000 2.204 401 E HA -0.121 4.228 4.350 -0.000 0.000 0.195 401 E C 1.767 178.551 176.600 0.306 0.000 0.990 401 E CA 0.270 56.819 56.400 0.247 0.000 0.821 401 E CB -0.358 29.559 29.700 0.363 0.000 0.750 401 E HN 0.350 nan 8.360 nan 0.000 0.477 402 F N -0.161 119.889 119.950 0.168 0.000 2.134 402 F HA -0.179 4.348 4.527 -0.000 0.000 0.299 402 F C 1.468 177.112 175.800 -0.260 0.000 1.097 402 F CA 1.332 59.336 58.000 0.007 0.000 1.264 402 F CB -0.051 38.886 39.000 -0.104 0.000 1.001 402 F HN -0.040 nan 8.300 nan 0.000 0.479 403 F N 0.594 120.529 119.950 -0.026 0.000 2.293 403 F HA -0.107 4.420 4.527 -0.000 0.000 0.297 403 F C 2.263 177.939 175.800 -0.206 0.000 1.089 403 F CA 1.096 58.913 58.000 -0.305 0.000 1.377 403 F CB -0.755 37.819 39.000 -0.710 0.000 1.051 403 F HN -0.070 nan 8.300 nan 0.000 0.511 404 D N 0.583 121.048 120.400 0.109 0.000 2.123 404 D HA -0.175 4.465 4.640 -0.000 0.000 0.196 404 D C 2.358 178.708 176.300 0.084 0.000 0.992 404 D CA 1.478 55.597 54.000 0.198 0.000 0.833 404 D CB -0.335 40.587 40.800 0.204 0.000 0.954 404 D HN 0.272 nan 8.370 nan 0.000 0.455 405 I N 1.073 121.633 120.570 -0.018 0.000 2.286 405 I HA -0.174 3.996 4.170 -0.000 0.000 0.245 405 I C 2.538 178.588 176.117 -0.112 0.000 1.104 405 I CA 0.778 62.037 61.300 -0.068 0.000 1.397 405 I CB -0.175 37.758 38.000 -0.111 0.000 1.072 405 I HN -0.106 nan 8.210 nan 0.000 0.417 406 A N 0.687 123.358 122.820 -0.249 0.000 1.908 406 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 406 A C 1.927 179.580 177.584 0.115 0.000 1.181 406 A CA 2.158 54.091 52.037 -0.173 0.000 0.627 406 A CB -0.619 18.182 19.000 -0.331 0.000 0.818 406 A HN 0.344 nan 8.150 nan 0.000 0.445 407 D N 0.342 120.845 120.400 0.173 0.000 2.078 407 D HA -0.133 4.507 4.640 -0.000 0.000 0.193 407 D C 1.412 177.997 176.300 0.476 0.000 0.990 407 D CA 1.564 55.779 54.000 0.359 0.000 0.827 407 D CB -0.550 40.375 40.800 0.208 0.000 0.975 407 D HN 0.368 nan 8.370 nan 0.000 0.451 408 D N 0.007 120.543 120.400 0.227 0.000 2.149 408 D HA -0.084 4.555 4.640 -0.000 0.000 0.198 408 D C 2.143 178.492 176.300 0.082 0.000 0.990 408 D CA 0.468 54.550 54.000 0.136 0.000 0.839 408 D CB -0.149 40.691 40.800 0.067 0.000 0.948 408 D HN 0.242 nan 8.370 nan 0.000 0.460 409 L N -0.976 120.287 121.223 0.067 0.000 2.446 409 L HA 0.163 4.503 4.340 -0.000 0.000 0.219 409 L C 1.352 178.218 176.870 -0.007 0.000 1.116 409 L CA 0.482 55.327 54.840 0.008 0.000 0.844 409 L CB 0.021 42.066 42.059 -0.023 0.000 0.970 409 L HN 0.130 nan 8.230 nan 0.000 0.457 410 G N 0.757 109.600 108.800 0.071 0.000 2.149 410 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.235 410 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.235 410 G C -0.007 174.944 174.900 0.084 0.000 1.018 410 G CA -0.026 45.052 45.100 -0.038 0.000 0.728 410 G HN 0.093 nan 8.290 nan 0.000 0.508 411 V N 1.746 121.741 119.914 0.135 0.000 2.406 411 V HA 0.479 4.599 4.120 -0.000 0.000 0.272 411 V C 1.152 177.338 176.094 0.153 0.000 1.043 411 V CA -0.600 61.747 62.300 0.078 0.000 0.915 411 V CB 1.334 33.142 31.823 -0.025 0.000 0.988 411 V HN 0.362 nan 8.190 nan 0.000 0.466 412 L N 5.130 126.445 121.223 0.154 0.000 2.417 412 L HA 0.506 4.846 4.340 -0.000 0.000 0.268 412 L C 0.634 177.567 176.870 0.105 0.000 1.158 412 L CA 0.001 54.937 54.840 0.160 0.000 0.819 412 L CB 1.027 43.158 42.059 0.120 0.000 1.112 412 L HN 0.783 nan 8.230 nan 0.000 0.458 413 T N 0.161 114.795 114.554 0.133 0.000 2.876 413 T HA 0.653 5.003 4.350 -0.000 0.000 0.289 413 T C -0.396 174.401 174.700 0.162 0.000 1.014 413 T CA -0.820 61.385 62.100 0.175 0.000 0.986 413 T CB 1.693 70.753 68.868 0.321 0.000 1.021 413 T HN 0.483 nan 8.240 nan 0.000 0.458 414 M N 4.040 123.721 119.600 0.136 0.000 2.386 414 M HA 0.315 4.795 4.480 -0.000 0.000 0.245 414 M C -2.496 173.824 176.300 0.033 0.000 0.982 414 M CA -1.948 53.410 55.300 0.096 0.000 0.860 414 M CB 1.469 34.121 32.600 0.086 0.000 1.371 414 M HN 0.481 nan 8.290 nan 0.000 0.425 415 P HA 0.636 nan 4.420 nan 0.000 0.276 415 P C -0.092 176.695 177.300 -0.855 0.000 1.261 415 P CA 0.098 63.040 63.100 -0.264 0.000 0.800 415 P CB 1.655 33.261 31.700 -0.158 0.000 1.066 416 G N -0.840 107.262 108.800 -1.164 0.000 2.322 416 G HA2 0.303 4.263 3.960 -0.000 0.000 0.295 416 G HA3 0.303 4.263 3.960 -0.000 0.000 0.295 416 G C -1.964 172.348 174.900 -0.980 0.000 1.369 416 G CA -0.997 43.131 45.100 -1.621 0.000 0.821 416 G HN 0.396 nan 8.290 nan 0.000 0.536 417 W N 0.962 121.898 121.300 -0.606 0.000 2.161 417 W HA 0.486 5.146 4.660 -0.000 0.000 0.344 417 W C 1.133 177.454 176.519 -0.331 0.000 1.262 417 W CA -0.570 56.425 57.345 -0.583 0.000 1.270 417 W CB 0.772 29.942 29.460 -0.482 0.000 1.126 417 W HN 0.682 nan 8.180 nan 0.000 0.598 418 E N 1.029 121.196 120.200 -0.055 0.000 2.283 418 E HA 0.418 4.768 4.350 -0.000 0.000 0.267 418 E C 0.034 176.721 176.600 0.145 0.000 1.045 418 E CA -0.910 55.514 56.400 0.041 0.000 0.884 418 E CB 1.114 30.790 29.700 -0.041 0.000 1.106 418 E HN 0.546 nan 8.360 nan 0.000 0.408 419 C N -0.337 119.055 119.300 0.153 0.000 2.411 419 C HA 0.515 4.975 4.460 -0.000 0.000 0.358 419 C C 0.950 176.033 174.990 0.156 0.000 1.349 419 C CA 0.004 59.132 59.018 0.182 0.000 2.326 419 C CB -0.340 27.494 27.740 0.157 0.000 2.166 419 C HN 1.048 nan 8.230 nan 0.000 0.609 420 C N 1.272 120.666 119.300 0.157 0.000 4.534 420 C HA -0.021 4.439 4.460 -0.000 0.000 0.275 420 C C -0.077 174.959 174.990 0.077 0.000 1.291 420 C CA 1.340 60.422 59.018 0.106 0.000 1.876 420 C CB -3.561 24.233 27.740 0.089 0.000 1.339 420 C HN 1.247 nan 8.230 nan 0.000 0.746 421 D N -1.663 118.799 120.400 0.104 0.000 3.309 421 D HA 0.372 5.011 4.640 -0.000 0.000 0.335 421 D C 0.563 176.915 176.300 0.086 0.000 1.393 421 D CA -0.036 54.007 54.000 0.072 0.000 0.963 421 D CB -0.064 40.764 40.800 0.046 0.000 1.431 421 D HN -0.150 nan 8.370 nan 0.000 0.583 422 K N -0.356 120.048 120.400 0.006 0.000 2.074 422 K HA -0.084 4.236 4.320 -0.000 0.000 0.209 422 K C 1.788 178.421 176.600 0.054 0.000 1.048 422 K CA 1.996 58.234 56.287 -0.081 0.000 0.926 422 K CB -0.709 31.591 32.500 -0.332 0.000 0.713 422 K HN 0.525 nan 8.250 nan 0.000 0.444 423 W N 1.117 122.485 121.300 0.113 0.000 2.308 423 W HA -0.164 4.496 4.660 -0.000 0.000 0.301 423 W C 1.516 178.188 176.519 0.256 0.000 1.220 423 W CA 1.666 59.129 57.345 0.197 0.000 1.240 423 W CB -0.108 29.389 29.460 0.061 0.000 1.142 423 W HN 0.238 nan 8.180 nan 0.000 0.521 424 E N -0.779 119.624 120.200 0.338 0.000 2.476 424 E HA 0.104 4.454 4.350 -0.000 0.000 0.196 424 E C 2.218 178.806 176.600 -0.020 0.000 1.029 424 E CA 0.220 56.708 56.400 0.147 0.000 0.896 424 E CB 0.047 29.863 29.700 0.193 0.000 1.012 424 E HN 0.288 nan 8.360 nan 0.000 0.475 425 G N 1.644 110.487 108.800 0.072 0.000 2.475 425 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.220 425 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.220 425 G C 1.627 176.449 174.900 -0.130 0.000 1.125 425 G CA 0.714 45.824 45.100 0.018 0.000 0.755 425 G HN 0.147 nan 8.290 nan 0.000 0.565 426 Q N 0.225 119.790 119.800 -0.392 0.000 2.389 426 Q HA 0.062 4.402 4.340 -0.000 0.000 0.204 426 Q C 2.208 177.991 176.000 -0.361 0.000 0.944 426 Q CA 1.366 56.880 55.803 -0.483 0.000 0.908 426 Q CB 0.094 28.222 28.738 -1.017 0.000 1.002 426 Q HN 0.506 nan 8.270 nan 0.000 0.493 427 V N -2.295 117.399 119.914 -0.367 0.000 3.548 427 V HA 0.263 4.383 4.120 -0.000 0.000 0.279 427 V C 0.769 176.450 176.094 -0.688 0.000 1.446 427 V CA 0.480 62.562 62.300 -0.362 0.000 1.023 427 V CB -0.197 31.501 31.823 -0.208 0.000 0.820 427 V HN 0.374 nan 8.190 nan 0.000 0.438 428 N N 1.476 119.764 118.700 -0.686 0.000 2.270 428 N HA 0.359 5.098 4.740 -0.000 0.000 0.198 428 N C 1.144 176.259 175.510 -0.658 0.000 1.117 428 N CA 0.763 53.133 53.050 -1.133 0.000 0.845 428 N CB 0.562 38.710 38.487 -0.564 0.000 0.980 428 N HN 0.802 nan 8.380 nan 0.000 0.486 429 G N 1.629 110.180 108.800 -0.415 0.000 2.565 429 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.295 429 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.295 429 G C 0.444 175.265 174.900 -0.132 0.000 1.165 429 G CA 0.441 45.410 45.100 -0.217 0.000 0.977 429 G HN 0.278 nan 8.290 nan 0.000 0.546 430 E N 1.799 121.953 120.200 -0.078 0.000 2.502 430 E HA 0.173 4.523 4.350 -0.000 0.000 0.194 430 E C 1.247 177.825 176.600 -0.036 0.000 1.062 430 E CA 0.737 57.111 56.400 -0.044 0.000 0.867 430 E CB 0.056 29.744 29.700 -0.020 0.000 0.888 430 E HN 0.558 nan 8.360 nan 0.000 0.510 431 E N 1.379 121.552 120.200 -0.045 0.000 2.425 431 E HA -0.020 4.330 4.350 -0.000 0.000 0.258 431 E C -0.277 176.314 176.600 -0.016 0.000 1.151 431 E CA -0.068 56.323 56.400 -0.016 0.000 0.958 431 E CB 0.554 30.263 29.700 0.015 0.000 0.968 431 E HN -0.212 nan 8.360 nan 0.000 0.451 432 K N 1.048 121.450 120.400 0.004 0.000 2.469 432 K HA 0.394 4.714 4.320 -0.000 0.000 0.274 432 K C -0.149 176.455 176.600 0.006 0.000 0.983 432 K CA 0.986 57.276 56.287 0.005 0.000 0.974 432 K CB 0.211 32.719 32.500 0.015 0.000 0.913 432 K HN 0.753 nan 8.250 nan 0.000 0.493 433 G N 1.946 110.745 108.800 -0.001 0.000 3.101 433 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.672 433 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.672 433 G C -1.201 173.701 174.900 0.002 0.000 1.331 433 G CA -0.971 44.133 45.100 0.006 0.000 0.925 433 G HN 0.522 nan 8.290 nan 0.000 0.596 434 E N 2.958 123.157 120.200 -0.001 0.000 2.301 434 E HA 0.422 4.772 4.350 -0.000 0.000 0.275 434 E C -2.033 174.614 176.600 0.078 0.000 1.030 434 E CA -1.641 54.762 56.400 0.005 0.000 0.852 434 E CB 1.315 30.997 29.700 -0.030 0.000 1.060 434 E HN 0.299 nan 8.360 nan 0.000 0.401 435 P HA -0.127 nan 4.420 nan 0.000 0.266 435 P C -0.973 176.463 177.300 0.228 0.000 1.186 435 P CA 0.278 63.437 63.100 0.098 0.000 0.767 435 P CB 0.344 32.066 31.700 0.037 0.000 0.820 436 W N 2.261 123.477 121.300 -0.140 0.000 2.261 436 W HA 0.338 4.997 4.660 -0.000 0.000 0.323 436 W C 0.103 176.598 176.519 -0.040 0.000 1.243 436 W CA -0.331 56.898 57.345 -0.194 0.000 1.210 436 W CB -0.171 29.011 29.460 -0.464 0.000 1.149 436 W HN 0.115 nan 8.180 nan 0.000 0.562 437 V N 0.321 120.307 119.914 0.120 0.000 3.093 437 V HA 0.429 4.548 4.120 -0.000 0.000 0.320 437 V C 1.054 177.271 176.094 0.205 0.000 1.093 437 V CA -0.736 61.637 62.300 0.122 0.000 1.016 437 V CB 1.655 33.487 31.823 0.015 0.000 1.096 437 V HN 0.567 nan 8.190 nan 0.000 0.452 438 E N 1.580 121.880 120.200 0.168 0.000 2.130 438 E HA -0.189 4.161 4.350 -0.000 0.000 0.196 438 E C 2.268 178.965 176.600 0.162 0.000 0.998 438 E CA 2.050 58.559 56.400 0.183 0.000 0.806 438 E CB -0.391 29.337 29.700 0.047 0.000 0.738 438 E HN 1.032 nan 8.360 nan 0.000 0.459 439 S N 0.656 116.375 115.700 0.030 0.000 2.481 439 S HA -0.096 4.374 4.470 -0.000 0.000 0.231 439 S C 1.387 175.904 174.600 -0.137 0.000 0.996 439 S CA 0.750 58.922 58.200 -0.046 0.000 0.942 439 S CB 0.037 63.186 63.200 -0.085 0.000 0.768 439 S HN 0.044 nan 8.310 nan 0.000 0.520 440 D N 0.993 121.257 120.400 -0.228 0.000 2.144 440 D HA -0.043 4.597 4.640 -0.000 0.000 0.200 440 D C 1.458 177.410 176.300 -0.581 0.000 0.978 440 D CA 1.099 54.733 54.000 -0.610 0.000 0.833 440 D CB -0.372 39.817 40.800 -1.018 0.000 0.961 440 D HN 0.522 nan 8.370 nan 0.000 0.470 441 Y N 0.535 120.739 120.300 -0.160 0.000 2.145 441 Y HA -0.094 4.456 4.550 -0.000 0.000 0.286 441 Y C -0.382 175.489 175.900 -0.048 0.000 1.145 441 Y CA 1.112 59.213 58.100 0.003 0.000 1.148 441 Y CB -1.579 36.928 38.460 0.077 0.000 0.981 441 Y HN 0.156 nan 8.280 nan 0.000 0.507 442 P HA -0.104 nan 4.420 nan 0.000 0.221 442 P C 1.283 178.570 177.300 -0.022 0.000 1.150 442 P CA 1.468 64.583 63.100 0.025 0.000 0.800 442 P CB -0.047 31.656 31.700 0.006 0.000 0.787 443 I N -0.385 120.119 120.570 -0.110 0.000 2.252 443 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 443 I C 2.357 178.399 176.117 -0.124 0.000 1.102 443 I CA 1.492 62.706 61.300 -0.143 0.000 1.385 443 I CB -0.835 37.010 38.000 -0.259 0.000 1.064 443 I HN -0.089 nan 8.210 nan 0.000 0.414 444 A N 0.731 123.422 122.820 -0.214 0.000 1.902 444 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 444 A C 2.383 180.150 177.584 0.306 0.000 1.181 444 A CA 1.952 53.977 52.037 -0.021 0.000 0.623 444 A CB -0.522 18.453 19.000 -0.042 0.000 0.818 444 A HN 0.371 nan 8.150 nan 0.000 0.443 445 K N -0.267 120.259 120.400 0.211 0.000 2.057 445 K HA -0.050 4.270 4.320 -0.000 0.000 0.207 445 K C 2.075 178.823 176.600 0.246 0.000 1.049 445 K CA 1.265 57.706 56.287 0.258 0.000 0.931 445 K CB -0.332 32.258 32.500 0.150 0.000 0.714 445 K HN 0.336 nan 8.250 nan 0.000 0.440 446 A N 0.471 123.386 122.820 0.158 0.000 1.930 446 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 446 A C 2.129 179.837 177.584 0.207 0.000 1.175 446 A CA 1.802 53.928 52.037 0.148 0.000 0.627 446 A CB -0.545 18.488 19.000 0.056 0.000 0.815 446 A HN 0.365 nan 8.150 nan 0.000 0.443 447 S N -0.712 115.123 115.700 0.226 0.000 2.353 447 S HA -0.238 4.232 4.470 -0.000 0.000 0.222 447 S C 2.016 176.837 174.600 0.368 0.000 1.035 447 S CA 2.017 60.410 58.200 0.323 0.000 1.025 447 S CB -0.379 63.042 63.200 0.369 0.000 0.902 447 S HN 0.587 nan 8.310 nan 0.000 0.440 448 M N 0.917 120.764 119.600 0.411 0.000 2.086 448 M HA -0.033 4.447 4.480 -0.000 0.000 0.261 448 M C 1.727 178.011 176.300 -0.026 0.000 1.067 448 M CA 1.431 56.857 55.300 0.210 0.000 1.116 448 M CB -0.715 32.081 32.600 0.326 0.000 1.348 448 M HN 0.319 nan 8.290 nan 0.000 0.407 449 F N -0.100 119.847 119.950 -0.004 0.000 2.095 449 F HA -0.229 4.298 4.527 -0.000 0.000 0.298 449 F C 2.184 177.927 175.800 -0.096 0.000 1.104 449 F CA 2.196 60.158 58.000 -0.064 0.000 1.232 449 F CB -0.695 38.289 39.000 -0.027 0.000 0.987 449 F HN 0.169 nan 8.300 nan 0.000 0.475 450 S N 0.077 115.777 115.700 -0.001 0.000 2.356 450 S HA -0.171 4.299 4.470 -0.000 0.000 0.223 450 S C 1.857 176.347 174.600 -0.184 0.000 1.032 450 S CA 1.293 59.447 58.200 -0.077 0.000 1.005 450 S CB -0.360 62.873 63.200 0.055 0.000 0.867 450 S HN 0.401 nan 8.310 nan 0.000 0.449 451 E N 1.526 121.627 120.200 -0.165 0.000 2.072 451 E HA -0.030 4.320 4.350 -0.000 0.000 0.191 451 E C 2.365 178.691 176.600 -0.456 0.000 0.985 451 E CA 1.074 57.307 56.400 -0.278 0.000 0.801 451 E CB -0.558 28.929 29.700 -0.355 0.000 0.750 451 E HN 0.457 nan 8.360 nan 0.000 0.452 452 A N 1.541 123.986 122.820 -0.625 0.000 1.883 452 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 452 A C 2.163 179.532 177.584 -0.358 0.000 1.186 452 A CA 1.957 53.617 52.037 -0.629 0.000 0.624 452 A CB -0.612 17.994 19.000 -0.657 0.000 0.822 452 A HN 0.368 nan 8.150 nan 0.000 0.444 453 E N -0.443 119.432 120.200 -0.542 0.000 2.118 453 E HA -0.254 4.096 4.350 -0.000 0.000 0.195 453 E C 2.230 178.675 176.600 -0.257 0.000 0.992 453 E CA 1.300 57.410 56.400 -0.483 0.000 0.804 453 E CB -0.183 29.119 29.700 -0.663 0.000 0.741 453 E HN 0.590 nan 8.360 nan 0.000 0.458 454 R N -0.236 120.139 120.500 -0.209 0.000 2.092 454 R HA -0.017 4.323 4.340 -0.000 0.000 0.231 454 R C 2.195 178.472 176.300 -0.039 0.000 1.119 454 R CA 1.120 57.160 56.100 -0.100 0.000 0.970 454 R CB 0.069 30.309 30.300 -0.100 0.000 0.864 454 R HN 0.274 nan 8.270 nan 0.000 0.440 455 L N 0.049 121.223 121.223 -0.082 0.000 2.556 455 L HA 0.128 4.468 4.340 -0.000 0.000 0.226 455 L C 2.157 179.074 176.870 0.077 0.000 1.089 455 L CA -0.039 54.787 54.840 -0.023 0.000 0.864 455 L CB -0.061 41.914 42.059 -0.139 0.000 1.067 455 L HN 0.110 nan 8.230 nan 0.000 0.477 456 R N -0.209 120.320 120.500 0.049 0.000 2.127 456 R HA -0.142 4.198 4.340 -0.000 0.000 0.238 456 R C 0.277 176.497 176.300 -0.134 0.000 1.134 456 R CA 1.606 57.669 56.100 -0.063 0.000 0.975 456 R CB -0.460 29.785 30.300 -0.092 0.000 0.865 456 R HN 0.196 nan 8.270 nan 0.000 0.447 457 D N 0.077 120.403 120.400 -0.124 0.000 2.402 457 D HA 0.105 4.745 4.640 -0.000 0.000 0.216 457 D C -0.524 175.619 176.300 -0.262 0.000 1.128 457 D CA 0.073 53.984 54.000 -0.147 0.000 0.833 457 D CB 0.142 40.882 40.800 -0.099 0.000 0.971 457 D HN 0.266 nan 8.370 nan 0.000 0.503 458 H N 1.093 120.094 119.070 -0.114 0.000 2.640 458 H HA 0.133 4.688 4.556 -0.000 0.000 0.297 458 H C -1.430 173.723 175.328 -0.291 0.000 1.073 458 H CA -1.501 54.459 56.048 -0.146 0.000 1.305 458 H CB 1.644 31.378 29.762 -0.047 0.000 1.404 458 H HN -0.028 nan 8.280 nan 0.000 0.459 459 P HA -0.146 nan 4.420 nan 0.000 0.222 459 P C 1.427 178.145 177.300 -0.969 0.000 1.147 459 P CA 0.871 63.447 63.100 -0.873 0.000 0.790 459 P CB 0.302 31.042 31.700 -1.600 0.000 0.780 460 S N -0.953 114.392 115.700 -0.592 0.000 2.423 460 S HA -0.031 4.439 4.470 -0.000 0.000 0.231 460 S C 1.076 175.688 174.600 0.021 0.000 1.014 460 S CA 0.219 58.331 58.200 -0.147 0.000 0.965 460 S CB -1.466 61.797 63.200 0.105 0.000 0.785 460 S HN -0.066 nan 8.310 nan 0.000 0.495 461 V N 3.800 123.733 119.914 0.031 0.000 2.529 461 V HA 0.163 4.283 4.120 -0.000 0.000 0.292 461 V C 1.248 177.368 176.094 0.044 0.000 1.028 461 V CA 0.199 62.554 62.300 0.092 0.000 1.074 461 V CB 0.311 32.186 31.823 0.087 0.000 0.958 461 V HN 0.636 nan 8.190 nan 0.000 0.481 462 I N 1.907 122.538 120.570 0.102 0.000 4.181 462 I HA 0.423 4.593 4.170 -0.000 0.000 0.331 462 I C 0.586 176.849 176.117 0.243 0.000 1.312 462 I CA 0.126 61.509 61.300 0.139 0.000 1.146 462 I CB 0.590 38.650 38.000 0.100 0.000 1.074 462 I HN 0.668 nan 8.210 nan 0.000 0.402 463 S N -0.088 115.749 115.700 0.229 0.000 2.645 463 S HA 0.521 4.991 4.470 -0.000 0.000 0.268 463 S C -1.500 173.269 174.600 0.280 0.000 1.110 463 S CA -0.752 57.599 58.200 0.252 0.000 0.823 463 S CB 1.486 64.840 63.200 0.257 0.000 1.091 463 S HN 0.210 nan 8.310 nan 0.000 0.466 464 F N 1.582 121.568 119.950 0.059 0.000 2.529 464 F HA 0.503 5.030 4.527 -0.000 0.000 0.320 464 F C -0.142 175.507 175.800 -0.251 0.000 1.118 464 F CA -0.409 57.491 58.000 -0.166 0.000 0.915 464 F CB 1.553 40.288 39.000 -0.441 0.000 1.161 464 F HN 0.767 nan 8.300 nan 0.000 0.445 465 H N 7.807 126.549 119.070 -0.547 0.000 2.782 465 H HA 0.221 4.777 4.556 -0.000 0.000 0.285 465 H C 1.175 176.308 175.328 -0.326 0.000 1.093 465 H CA 0.319 56.164 56.048 -0.338 0.000 1.410 465 H CB 1.171 30.743 29.762 -0.316 0.000 1.439 465 H HN 0.778 nan 8.280 nan 0.000 0.469 466 I N 0.587 121.174 120.570 0.029 0.000 3.428 466 I HA 0.269 4.439 4.170 -0.000 0.000 0.286 466 I C 0.894 177.220 176.117 0.348 0.000 1.287 466 I CA 0.085 61.480 61.300 0.158 0.000 1.396 466 I CB 0.513 38.660 38.000 0.245 0.000 1.062 466 I HN 0.310 nan 8.210 nan 0.000 0.471 467 G N -0.409 108.543 108.800 0.253 0.000 2.692 467 G HA2 0.473 4.433 3.960 -0.000 0.000 0.291 467 G HA3 0.473 4.433 3.960 -0.000 0.000 0.291 467 G C -0.664 174.364 174.900 0.213 0.000 1.423 467 G CA 0.210 45.479 45.100 0.282 0.000 0.843 467 G HN -0.016 nan 8.290 nan 0.000 0.486 468 S N -0.835 114.976 115.700 0.184 0.000 3.169 468 S HA 0.450 4.920 4.470 -0.000 0.000 0.174 468 S C 2.624 177.250 174.600 0.043 0.000 0.696 468 S CA 1.713 59.968 58.200 0.093 0.000 0.819 468 S CB -0.577 62.670 63.200 0.078 0.000 0.867 468 S HN 1.447 nan 8.310 nan 0.000 0.680 469 A N 1.457 124.304 122.820 0.045 0.000 1.873 469 A HA 0.013 4.333 4.320 -0.000 0.000 0.219 469 A C 0.499 177.966 177.584 -0.195 0.000 1.269 469 A CA 1.524 53.538 52.037 -0.040 0.000 0.671 469 A CB -1.177 17.835 19.000 0.020 0.000 0.842 469 A HN 0.541 nan 8.150 nan 0.000 0.460 470 F N -1.051 118.932 119.950 0.056 0.000 2.443 470 F HA 0.603 5.129 4.527 -0.000 0.000 0.335 470 F C 0.716 176.562 175.800 0.076 0.000 1.104 470 F CA -0.444 57.586 58.000 0.050 0.000 1.013 470 F CB 1.417 40.433 39.000 0.027 0.000 1.136 470 F HN 0.365 nan 8.300 nan 0.000 0.470 471 A N 4.540 127.488 122.820 0.213 0.000 2.425 471 A HA 0.494 4.814 4.320 -0.000 0.000 0.242 471 A C -2.284 175.410 177.584 0.183 0.000 1.077 471 A CA -1.236 50.909 52.037 0.181 0.000 0.781 471 A CB -0.480 18.593 19.000 0.121 0.000 1.020 471 A HN 0.440 nan 8.150 nan 0.000 0.494 472 P HA 0.198 nan 4.420 nan 0.000 0.272 472 P C -0.720 176.602 177.300 0.036 0.000 1.240 472 P CA -0.277 62.882 63.100 0.099 0.000 0.791 472 P CB 0.356 32.157 31.700 0.168 0.000 0.978 473 D N -0.558 119.815 120.400 -0.043 0.000 2.433 473 D HA 0.115 4.755 4.640 -0.000 0.000 0.255 473 D C 1.317 177.604 176.300 -0.021 0.000 1.226 473 D CA -0.536 53.444 54.000 -0.034 0.000 1.015 473 D CB 0.367 41.125 40.800 -0.069 0.000 1.091 473 D HN 0.294 nan 8.370 nan 0.000 0.527 474 R N -0.518 119.974 120.500 -0.014 0.000 2.091 474 R HA -0.165 4.175 4.340 -0.000 0.000 0.238 474 R C 2.259 178.550 176.300 -0.015 0.000 1.136 474 R CA 1.370 57.467 56.100 -0.006 0.000 0.959 474 R CB -0.104 30.192 30.300 -0.007 0.000 0.856 474 R HN 0.538 nan 8.270 nan 0.000 0.437 475 R N 0.335 120.820 120.500 -0.025 0.000 2.066 475 R HA -0.080 4.260 4.340 -0.000 0.000 0.232 475 R C 2.230 178.525 176.300 -0.008 0.000 1.131 475 R CA 1.770 57.858 56.100 -0.021 0.000 0.955 475 R CB -0.222 30.058 30.300 -0.033 0.000 0.851 475 R HN 0.293 nan 8.270 nan 0.000 0.432 476 I N 0.422 120.962 120.570 -0.050 0.000 2.252 476 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 476 I C 2.544 178.489 176.117 -0.286 0.000 1.102 476 I CA 1.336 62.507 61.300 -0.215 0.000 1.385 476 I CB -0.396 37.363 38.000 -0.402 0.000 1.064 476 I HN 0.382 nan 8.210 nan 0.000 0.414 477 E N 0.848 120.999 120.200 -0.082 0.000 2.077 477 E HA -0.318 4.032 4.350 -0.000 0.000 0.193 477 E C 2.187 178.822 176.600 0.057 0.000 0.989 477 E CA 1.379 57.813 56.400 0.056 0.000 0.800 477 E CB 0.040 29.794 29.700 0.089 0.000 0.746 477 E HN 0.314 nan 8.360 nan 0.000 0.452 478 Q N 0.176 119.987 119.800 0.020 0.000 2.096 478 Q HA -0.111 4.229 4.340 -0.000 0.000 0.204 478 Q C 1.982 178.006 176.000 0.040 0.000 0.982 478 Q CA 2.134 57.956 55.803 0.032 0.000 0.850 478 Q CB -0.834 27.912 28.738 0.013 0.000 0.901 478 Q HN 0.371 nan 8.270 nan 0.000 0.422 479 G N -0.880 107.920 108.800 -0.001 0.000 2.476 479 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.218 479 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.218 479 G C 0.913 175.884 174.900 0.120 0.000 1.164 479 G CA 1.164 46.277 45.100 0.021 0.000 0.768 479 G HN 0.396 nan 8.290 nan 0.000 0.560 480 Y N 0.605 120.994 120.300 0.149 0.000 2.200 480 Y HA 0.088 4.638 4.550 -0.000 0.000 0.290 480 Y C 2.844 178.780 175.900 0.059 0.000 1.137 480 Y CA 0.218 58.399 58.100 0.134 0.000 1.163 480 Y CB -0.829 37.747 38.460 0.194 0.000 0.988 480 Y HN 0.077 nan 8.280 nan 0.000 0.518 481 L N -0.441 120.913 121.223 0.218 0.000 2.046 481 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 481 L C 1.989 178.925 176.870 0.109 0.000 1.077 481 L CA 1.466 56.386 54.840 0.132 0.000 0.747 481 L CB -0.527 41.595 42.059 0.105 0.000 0.896 481 L HN 0.119 nan 8.230 nan 0.000 0.432 482 D N 0.239 120.704 120.400 0.108 0.000 2.117 482 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 482 D C 2.254 178.627 176.300 0.122 0.000 0.987 482 D CA 1.487 55.543 54.000 0.093 0.000 0.829 482 D CB -0.101 40.741 40.800 0.071 0.000 0.961 482 D HN 0.289 nan 8.370 nan 0.000 0.460 483 A N 0.631 123.547 122.820 0.160 0.000 1.883 483 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 483 A C 2.277 179.971 177.584 0.184 0.000 1.186 483 A CA 1.654 53.830 52.037 0.232 0.000 0.624 483 A CB -0.611 18.540 19.000 0.253 0.000 0.822 483 A HN 0.172 nan 8.150 nan 0.000 0.444 484 M N -1.140 118.498 119.600 0.062 0.000 2.175 484 M HA -0.120 4.359 4.480 -0.000 0.000 0.264 484 M C 2.288 178.644 176.300 0.094 0.000 1.063 484 M CA 1.749 57.054 55.300 0.009 0.000 1.119 484 M CB -0.239 32.349 32.600 -0.019 0.000 1.377 484 M HN 0.435 nan 8.290 nan 0.000 0.415 485 K N 0.649 121.110 120.400 0.101 0.000 2.026 485 K HA -0.151 4.169 4.320 -0.000 0.000 0.208 485 K C 1.946 178.612 176.600 0.110 0.000 1.048 485 K CA 1.614 57.956 56.287 0.093 0.000 0.929 485 K CB -0.116 32.431 32.500 0.077 0.000 0.713 485 K HN 0.293 nan 8.250 nan 0.000 0.439 486 A N 0.729 123.640 122.820 0.152 0.000 1.972 486 A HA -0.072 4.248 4.320 -0.000 0.000 0.219 486 A C 2.084 179.838 177.584 0.284 0.000 1.169 486 A CA 1.795 53.956 52.037 0.206 0.000 0.635 486 A CB -0.453 18.668 19.000 0.201 0.000 0.810 486 A HN 0.455 nan 8.150 nan 0.000 0.446 487 A N -1.309 121.625 122.820 0.190 0.000 2.251 487 A HA 0.252 4.572 4.320 -0.000 0.000 0.209 487 A C 0.474 177.979 177.584 -0.132 0.000 1.187 487 A CA 0.786 52.765 52.037 -0.098 0.000 0.823 487 A CB -0.178 18.557 19.000 -0.441 0.000 0.846 487 A HN 0.430 nan 8.150 nan 0.000 0.486 488 D N -2.162 118.245 120.400 0.011 0.000 2.837 488 D HA -0.203 4.437 4.640 -0.000 0.000 0.230 488 D C -0.274 176.017 176.300 -0.015 0.000 1.152 488 D CA 0.813 54.829 54.000 0.026 0.000 0.736 488 D CB -1.828 39.043 40.800 0.119 0.000 1.084 488 D HN 0.533 nan 8.370 nan 0.000 0.429 489 F N 0.808 120.673 119.950 -0.143 0.000 2.462 489 F HA 0.234 4.761 4.527 -0.000 0.000 0.360 489 F C 1.121 176.862 175.800 -0.098 0.000 1.134 489 F CA -0.152 57.754 58.000 -0.156 0.000 1.148 489 F CB 0.292 39.160 39.000 -0.220 0.000 1.147 489 F HN -0.027 nan 8.300 nan 0.000 0.550 490 L N 6.740 127.700 121.223 -0.439 0.000 2.808 490 L HA 0.250 4.590 4.340 -0.000 0.000 0.246 490 L C 0.011 176.686 176.870 -0.326 0.000 1.153 490 L CA -0.152 54.533 54.840 -0.257 0.000 0.956 490 L CB -0.242 41.716 42.059 -0.168 0.000 1.270 490 L HN 0.477 nan 8.230 nan 0.000 0.528 491 L N 0.446 121.275 121.223 -0.657 0.000 2.456 491 L HA 0.288 4.628 4.340 -0.000 0.000 0.257 491 L C -1.907 174.920 176.870 -0.072 0.000 1.162 491 L CA -1.816 52.784 54.840 -0.399 0.000 0.808 491 L CB 0.038 41.767 42.059 -0.549 0.000 1.136 491 L HN -0.189 nan 8.230 nan 0.000 0.466 492 P HA 0.017 nan 4.420 nan 0.000 0.265 492 P C -1.024 176.317 177.300 0.068 0.000 1.193 492 P CA -0.033 63.069 63.100 0.003 0.000 0.765 492 P CB 0.492 32.156 31.700 -0.060 0.000 0.823 493 V N 5.328 125.261 119.914 0.031 0.000 2.370 493 V HA 0.282 4.402 4.120 -0.000 0.000 0.283 493 V C 0.241 176.280 176.094 -0.092 0.000 1.023 493 V CA -0.495 61.820 62.300 0.024 0.000 0.857 493 V CB 1.107 32.967 31.823 0.061 0.000 0.985 493 V HN 0.353 nan 8.190 nan 0.000 0.443 494 I N 7.995 128.433 120.570 -0.221 0.000 2.339 494 I HA 0.347 4.517 4.170 -0.000 0.000 0.290 494 I C -1.259 174.728 176.117 -0.218 0.000 0.994 494 I CA -2.545 58.541 61.300 -0.357 0.000 1.191 494 I CB 1.708 39.204 38.000 -0.840 0.000 1.343 494 I HN 0.381 nan 8.210 nan 0.000 0.458 495 P HA -0.003 nan 4.420 nan 0.000 0.219 495 P C 0.242 177.591 177.300 0.081 0.000 1.150 495 P CA 0.999 64.116 63.100 0.028 0.000 0.814 495 P CB 0.903 32.623 31.700 0.034 0.000 0.787 496 A N -1.536 121.332 122.820 0.080 0.000 2.610 496 A HA 0.649 4.969 4.320 -0.000 0.000 0.291 496 A C 0.352 178.070 177.584 0.222 0.000 1.086 496 A CA 0.020 52.148 52.037 0.152 0.000 0.677 496 A CB 0.586 19.630 19.000 0.072 0.000 1.278 496 A HN -0.075 nan 8.150 nan 0.000 0.414 497 A N 0.114 123.022 122.820 0.146 0.000 2.238 497 A HA 0.471 4.791 4.320 -0.000 0.000 0.210 497 A C 1.309 178.890 177.584 -0.006 0.000 1.179 497 A CA 1.249 53.299 52.037 0.022 0.000 0.827 497 A CB -0.628 18.236 19.000 -0.226 0.000 0.856 497 A HN 1.853 nan 8.150 nan 0.000 0.488 498 S N -1.239 114.455 115.700 -0.011 0.000 2.694 498 S HA 0.603 5.072 4.470 -0.000 0.000 0.278 498 S C 1.069 175.665 174.600 -0.006 0.000 1.152 498 S CA 0.023 58.205 58.200 -0.030 0.000 1.010 498 S CB 1.231 64.376 63.200 -0.092 0.000 1.104 498 S HN 0.784 nan 8.310 nan 0.000 0.547 499 A N -0.235 122.581 122.820 -0.007 0.000 2.235 499 A HA 0.215 4.534 4.320 -0.000 0.000 0.208 499 A C 0.991 178.579 177.584 0.006 0.000 1.172 499 A CA -0.148 51.900 52.037 0.018 0.000 0.786 499 A CB -0.566 18.459 19.000 0.042 0.000 0.804 499 A HN 0.713 nan 8.150 nan 0.000 0.479 500 R N 1.362 121.848 120.500 -0.023 0.000 2.421 500 R HA 0.210 4.550 4.340 -0.000 0.000 0.305 500 R C -2.498 173.812 176.300 0.017 0.000 1.039 500 R CA -1.281 54.808 56.100 -0.018 0.000 1.003 500 R CB 0.333 30.590 30.300 -0.071 0.000 0.959 500 R HN 0.288 nan 8.270 nan 0.000 0.427 501 P HA 0.075 nan 4.420 nan 0.000 0.279 501 P C -0.779 176.549 177.300 0.048 0.000 1.252 501 P CA -0.555 62.565 63.100 0.033 0.000 0.811 501 P CB 1.472 33.189 31.700 0.028 0.000 1.035 502 S N 0.850 116.579 115.700 0.049 0.000 2.654 502 S HA 0.461 4.931 4.470 -0.000 0.000 0.283 502 S C -1.866 172.759 174.600 0.043 0.000 1.180 502 S CA -1.356 56.879 58.200 0.058 0.000 1.021 502 S CB 0.713 63.958 63.200 0.074 0.000 1.018 502 S HN 0.205 nan 8.310 nan 0.000 0.532 503 P HA 0.013 nan 4.420 nan 0.000 0.217 503 P C 0.967 178.283 177.300 0.026 0.000 1.150 503 P CA 1.064 64.181 63.100 0.028 0.000 0.832 503 P CB -0.005 31.708 31.700 0.022 0.000 0.787 504 I N -2.106 118.484 120.570 0.033 0.000 2.681 504 I HA -0.076 4.093 4.170 -0.000 0.000 0.247 504 I C 2.008 178.142 176.117 0.029 0.000 1.091 504 I CA 1.122 62.440 61.300 0.030 0.000 1.442 504 I CB -1.162 36.859 38.000 0.036 0.000 1.219 504 I HN -0.167 nan 8.210 nan 0.000 0.451 505 T N 0.509 115.084 114.554 0.036 0.000 2.788 505 T HA 0.115 4.465 4.350 -0.000 0.000 0.268 505 T C 1.038 175.745 174.700 0.013 0.000 1.044 505 T CA 1.216 63.331 62.100 0.025 0.000 1.139 505 T CB -0.378 68.507 68.868 0.029 0.000 0.867 505 T HN 0.684 nan 8.240 nan 0.000 0.454 506 G N 0.863 109.674 108.800 0.018 0.000 2.445 506 G HA2 0.182 4.142 3.960 -0.000 0.000 0.212 506 G HA3 0.182 4.142 3.960 -0.000 0.000 0.212 506 G C -0.144 174.763 174.900 0.011 0.000 1.217 506 G CA -0.400 44.708 45.100 0.013 0.000 1.002 506 G HN 0.786 nan 8.290 nan 0.000 0.574 507 A N -0.097 122.727 122.820 0.007 0.000 2.498 507 A HA 0.607 4.927 4.320 -0.000 0.000 0.239 507 A C 1.790 179.371 177.584 -0.004 0.000 1.068 507 A CA 1.460 53.502 52.037 0.009 0.000 0.766 507 A CB 0.374 19.382 19.000 0.014 0.000 1.003 507 A HN 2.335 nan 8.150 nan 0.000 0.497 508 S N 1.974 117.674 115.700 0.001 0.000 2.414 508 S HA 0.275 4.745 4.470 -0.000 0.000 0.227 508 S C 1.522 176.102 174.600 -0.033 0.000 1.022 508 S CA 0.999 59.187 58.200 -0.021 0.000 0.958 508 S CB -0.529 62.672 63.200 0.003 0.000 0.797 508 S HN 2.594 nan 8.310 nan 0.000 0.493 509 G N 1.294 110.100 108.800 0.009 0.000 2.153 509 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.252 509 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.252 509 G C -0.047 174.900 174.900 0.078 0.000 0.994 509 G CA 0.846 45.970 45.100 0.041 0.000 0.698 509 G HN 0.535 nan 8.290 nan 0.000 0.521 510 M N -1.075 118.562 119.600 0.062 0.000 2.755 510 M HA 0.632 5.112 4.480 -0.000 0.000 0.298 510 M C -0.112 176.227 176.300 0.064 0.000 1.251 510 M CA -0.908 54.449 55.300 0.095 0.000 0.817 510 M CB 2.502 35.126 32.600 0.041 0.000 1.760 510 M HN 0.290 nan 8.290 nan 0.000 0.473 511 K N 0.662 121.087 120.400 0.043 0.000 2.498 511 K HA 0.627 4.947 4.320 -0.000 0.000 0.254 511 K C -1.460 175.116 176.600 -0.040 0.000 0.933 511 K CA -0.740 55.533 56.287 -0.023 0.000 0.806 511 K CB 2.669 35.096 32.500 -0.121 0.000 1.301 511 K HN 0.824 nan 8.250 nan 0.000 0.432 512 M N 3.928 123.513 119.600 -0.025 0.000 3.003 512 M HA 0.268 4.748 4.480 -0.000 0.000 0.221 512 M C -0.885 175.459 176.300 0.072 0.000 1.126 512 M CA -0.425 54.870 55.300 -0.009 0.000 0.778 512 M CB 0.197 32.792 32.600 -0.009 0.000 1.380 512 M HN 0.655 nan 8.290 nan 0.000 0.508 513 N N 1.236 119.957 118.700 0.035 0.000 2.383 513 N HA 0.216 4.956 4.740 -0.000 0.000 0.192 513 N C 0.820 176.417 175.510 0.146 0.000 1.141 513 N CA 0.919 54.034 53.050 0.108 0.000 0.851 513 N CB 0.434 38.966 38.487 0.075 0.000 0.976 513 N HN 0.802 nan 8.380 nan 0.000 0.465 514 G N 1.360 110.197 108.800 0.061 0.000 2.752 514 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.234 514 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.234 514 G C -2.767 172.028 174.900 -0.175 0.000 1.367 514 G CA -0.718 44.278 45.100 -0.173 0.000 0.879 514 G HN 0.147 nan 8.290 nan 0.000 0.563 515 P HA 0.463 nan 4.420 nan 0.000 0.276 515 P C -0.577 176.391 177.300 -0.552 0.000 1.261 515 P CA -0.045 62.871 63.100 -0.307 0.000 0.800 515 P CB 0.522 31.968 31.700 -0.424 0.000 1.066 516 Y N -2.201 118.147 120.300 0.080 0.000 2.610 516 Y HA 0.335 4.885 4.550 -0.000 0.000 0.254 516 Y C 0.691 176.796 175.900 0.342 0.000 1.110 516 Y CA -0.080 58.060 58.100 0.067 0.000 1.238 516 Y CB 0.864 39.278 38.460 -0.077 0.000 1.322 516 Y HN 0.237 nan 8.280 nan 0.000 0.547 517 D N -1.761 118.903 120.400 0.441 0.000 2.744 517 D HA 0.099 4.739 4.640 -0.000 0.000 0.304 517 D C -1.258 175.219 176.300 0.296 0.000 1.179 517 D CA -0.876 53.406 54.000 0.469 0.000 1.024 517 D CB 1.462 42.641 40.800 0.632 0.000 1.453 517 D HN -0.143 nan 8.370 nan 0.000 0.529 518 Y N 1.353 121.811 120.300 0.263 0.000 2.729 518 Y HA 0.242 4.792 4.550 -0.000 0.000 0.331 518 Y C -0.070 175.867 175.900 0.062 0.000 1.208 518 Y CA 0.580 58.808 58.100 0.214 0.000 1.521 518 Y CB 0.059 38.685 38.460 0.277 0.000 1.233 518 Y HN 0.076 nan 8.280 nan 0.000 0.539 519 V N 5.832 125.222 119.914 -0.874 0.000 2.925 519 V HA 0.704 4.824 4.120 -0.000 0.000 0.311 519 V C -2.844 172.633 176.094 -1.027 0.000 1.104 519 V CA -2.670 59.118 62.300 -0.855 0.000 0.954 519 V CB 1.925 32.972 31.823 -1.294 0.000 1.022 519 V HN 0.631 nan 8.190 nan 0.000 0.427 520 P HA 0.358 nan 4.420 nan 0.000 0.274 520 P C -2.430 174.796 177.300 -0.123 0.000 1.246 520 P CA -1.613 61.381 63.100 -0.177 0.000 0.795 520 P CB 0.744 32.416 31.700 -0.046 0.000 1.006 521 P HA -0.167 nan 4.420 nan 0.000 0.216 521 P C 1.700 179.130 177.300 0.216 0.000 1.153 521 P CA 1.008 64.178 63.100 0.117 0.000 0.858 521 P CB -0.198 31.355 31.700 -0.244 0.000 0.789 522 V N -1.330 118.645 119.914 0.102 0.000 2.867 522 V HA -0.250 3.870 4.120 -0.000 0.000 0.260 522 V C 2.128 178.383 176.094 0.268 0.000 1.099 522 V CA 1.415 63.867 62.300 0.254 0.000 1.122 522 V CB -1.296 30.604 31.823 0.128 0.000 0.708 522 V HN 0.089 nan 8.190 nan 0.000 0.490 523 Y N -0.465 119.789 120.300 -0.077 0.000 2.207 523 Y HA -0.285 4.265 4.550 -0.000 0.000 0.287 523 Y C 1.903 177.746 175.900 -0.095 0.000 1.156 523 Y CA 2.242 60.230 58.100 -0.187 0.000 1.182 523 Y CB -0.353 37.765 38.460 -0.570 0.000 0.979 523 Y HN 0.429 nan 8.280 nan 0.000 0.521 524 W N -1.413 120.088 121.300 0.334 0.000 2.465 524 W HA -0.152 4.508 4.660 -0.000 0.000 0.268 524 W C 1.324 177.773 176.519 -0.117 0.000 1.242 524 W CA 0.611 58.028 57.345 0.119 0.000 1.248 524 W CB -0.507 28.974 29.460 0.035 0.000 1.118 524 W HN 0.086 nan 8.180 nan 0.000 0.587 525 Y N 0.106 120.559 120.300 0.255 0.000 2.529 525 Y HA 0.000 4.550 4.550 -0.000 0.000 0.290 525 Y C 0.758 176.702 175.900 0.073 0.000 1.177 525 Y CA 0.155 58.344 58.100 0.148 0.000 1.305 525 Y CB -0.587 37.958 38.460 0.141 0.000 1.047 525 Y HN -0.225 nan 8.280 nan 0.000 0.522 526 D N 0.393 120.868 120.400 0.125 0.000 2.389 526 D HA 0.081 4.721 4.640 -0.000 0.000 0.247 526 D C 0.535 176.863 176.300 0.047 0.000 1.128 526 D CA 0.309 54.322 54.000 0.021 0.000 0.884 526 D CB 0.776 41.503 40.800 -0.122 0.000 1.194 526 D HN 0.086 nan 8.370 nan 0.000 0.441 527 K N 1.296 121.660 120.400 -0.062 0.000 2.440 527 K HA 0.030 4.350 4.320 -0.000 0.000 0.207 527 K C 1.576 177.913 176.600 -0.438 0.000 1.112 527 K CA 0.131 56.299 56.287 -0.198 0.000 1.036 527 K CB 0.563 32.980 32.500 -0.139 0.000 0.935 527 K HN 0.448 nan 8.250 nan 0.000 0.564 528 S N 0.573 116.051 115.700 -0.370 0.000 2.414 528 S HA -0.020 4.450 4.470 -0.000 0.000 0.227 528 S C 0.884 175.189 174.600 -0.491 0.000 1.022 528 S CA 0.474 58.427 58.200 -0.411 0.000 0.958 528 S CB 0.056 63.041 63.200 -0.357 0.000 0.797 528 S HN 0.051 nan 8.310 nan 0.000 0.493 529 Q N 2.004 121.458 119.800 -0.576 0.000 2.390 529 Q HA 0.263 4.603 4.340 -0.000 0.000 0.249 529 Q C 0.649 176.507 176.000 -0.236 0.000 0.996 529 Q CA -0.112 55.377 55.803 -0.525 0.000 0.899 529 Q CB 1.461 29.668 28.738 -0.885 0.000 1.216 529 Q HN 0.795 nan 8.270 nan 0.000 0.465 530 K N 0.573 120.842 120.400 -0.219 0.000 2.432 530 K HA -0.023 4.297 4.320 -0.000 0.000 0.196 530 K C -0.173 176.551 176.600 0.206 0.000 1.038 530 K CA 0.756 56.980 56.287 -0.105 0.000 0.986 530 K CB 0.476 32.846 32.500 -0.216 0.000 0.782 530 K HN 0.138 nan 8.250 nan 0.000 0.485 531 D N 0.687 121.156 120.400 0.115 0.000 2.340 531 D HA 0.089 4.729 4.640 -0.000 0.000 0.217 531 D C 0.150 176.553 176.300 0.172 0.000 1.081 531 D CA 0.182 54.270 54.000 0.146 0.000 0.842 531 D CB 0.401 41.259 40.800 0.097 0.000 0.934 531 D HN 0.109 nan 8.370 nan 0.000 0.511 532 R N -0.807 119.814 120.500 0.202 0.000 3.029 532 R HA 0.591 4.931 4.340 -0.000 0.000 0.239 532 R C 0.977 177.344 176.300 0.112 0.000 1.351 532 R CA -0.864 55.340 56.100 0.175 0.000 1.052 532 R CB 0.032 30.410 30.300 0.129 0.000 1.354 532 R HN -0.107 nan 8.270 nan 0.000 0.499 533 G N -0.275 108.608 108.800 0.139 0.000 3.609 533 G HA2 0.218 4.178 3.960 -0.000 0.000 0.280 533 G HA3 0.218 4.178 3.960 -0.000 0.000 0.280 533 G C 0.487 175.433 174.900 0.078 0.000 1.155 533 G CA 0.017 45.161 45.100 0.073 0.000 0.876 533 G HN 0.562 nan 8.290 nan 0.000 0.535 534 G N -0.146 108.607 108.800 -0.078 0.000 2.732 534 G HA2 0.414 4.374 3.960 -0.000 0.000 0.244 534 G HA3 0.414 4.374 3.960 -0.000 0.000 0.244 534 G C 0.656 175.417 174.900 -0.231 0.000 1.226 534 G CA 0.168 45.254 45.100 -0.024 0.000 0.860 534 G HN 0.658 nan 8.290 nan 0.000 0.583 535 A N 1.855 124.522 122.820 -0.256 0.000 2.770 535 A HA 0.502 4.822 4.320 -0.000 0.000 0.292 535 A C -0.073 177.388 177.584 -0.205 0.000 1.604 535 A CA -0.151 51.435 52.037 -0.752 0.000 1.271 535 A CB -1.034 17.493 19.000 -0.788 0.000 1.075 535 A HN 0.968 nan 8.150 nan 0.000 0.573 536 W N 0.203 121.386 121.300 -0.195 0.000 3.298 536 W HA 0.526 5.186 4.660 -0.000 0.000 0.302 536 W C -0.185 176.340 176.519 0.011 0.000 1.255 536 W CA -0.130 57.171 57.345 -0.074 0.000 1.196 536 W CB -0.127 29.289 29.460 -0.073 0.000 1.364 536 W HN 1.221 nan 8.180 nan 0.000 0.566 537 S N 0.649 116.510 115.700 0.268 0.000 3.307 537 S HA -0.296 4.174 4.470 -0.000 0.000 0.634 537 S C -0.904 173.758 174.600 0.103 0.000 2.711 537 S CA 0.912 59.222 58.200 0.184 0.000 2.940 537 S CB -1.170 62.133 63.200 0.172 0.000 0.331 537 S HN 0.970 nan 8.310 nan 0.000 1.766 538 F N 2.497 122.446 119.950 -0.002 0.000 2.308 538 F HA 0.470 4.997 4.527 -0.000 0.000 0.370 538 F C 0.303 176.067 175.800 -0.060 0.000 1.100 538 F CA -0.823 57.190 58.000 0.022 0.000 1.108 538 F CB 0.588 39.645 39.000 0.095 0.000 1.293 538 F HN 0.521 nan 8.300 nan 0.000 0.478 539 N N 3.302 121.947 118.700 -0.092 0.000 2.421 539 N HA -0.026 4.714 4.740 -0.000 0.000 0.260 539 N C 0.952 176.439 175.510 -0.038 0.000 1.173 539 N CA 0.223 53.204 53.050 -0.114 0.000 0.960 539 N CB 1.131 39.494 38.487 -0.206 0.000 1.273 539 N HN 0.695 nan 8.380 nan 0.000 0.497 540 S N 1.370 117.141 115.700 0.119 0.000 2.522 540 S HA -0.029 4.441 4.470 -0.000 0.000 0.227 540 S C 0.025 174.543 174.600 -0.136 0.000 0.986 540 S CA 0.184 58.466 58.200 0.136 0.000 0.929 540 S CB -0.190 63.035 63.200 0.043 0.000 0.769 540 S HN 0.674 nan 8.310 nan 0.000 0.529 541 E N -0.912 119.106 120.200 -0.303 0.000 2.782 541 E HA 0.382 4.732 4.350 -0.000 0.000 0.372 541 E C -1.063 175.158 176.600 -0.632 0.000 0.944 541 E CA -0.527 55.526 56.400 -0.579 0.000 0.749 541 E CB 0.198 29.074 29.700 -1.372 0.000 1.453 541 E HN 0.015 nan 8.360 nan 0.000 0.402 542 T N 0.902 115.147 114.554 -0.514 0.000 2.942 542 T HA 0.720 5.070 4.350 -0.000 0.000 0.327 542 T C -1.500 172.870 174.700 -0.549 0.000 1.360 542 T CA 0.298 62.050 62.100 -0.581 0.000 1.055 542 T CB 1.841 70.510 68.868 -0.331 0.000 1.261 542 T HN 0.908 nan 8.240 nan 0.000 0.485 543 S N 1.782 117.225 115.700 -0.429 0.000 2.727 543 S HA 0.765 5.235 4.470 -0.000 0.000 0.278 543 S C 0.078 174.732 174.600 0.091 0.000 1.186 543 S CA -0.161 57.833 58.200 -0.342 0.000 0.836 543 S CB 1.011 63.731 63.200 -0.800 0.000 1.186 543 S HN 1.304 nan 8.310 nan 0.000 0.499 544 A N -0.163 122.804 122.820 0.245 0.000 2.507 544 A HA 0.753 5.073 4.320 -0.000 0.000 0.270 544 A C 1.385 179.181 177.584 0.353 0.000 1.318 544 A CA 0.681 52.870 52.037 0.252 0.000 0.924 544 A CB -1.372 17.760 19.000 0.221 0.000 1.061 544 A HN 2.482 nan 8.150 nan 0.000 0.516 545 G N -0.828 108.206 108.800 0.389 0.000 2.947 545 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.251 545 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.251 545 G C 0.161 175.235 174.900 0.290 0.000 1.481 545 G CA -0.242 45.137 45.100 0.465 0.000 1.006 545 G HN 0.863 nan 8.290 nan 0.000 0.561 546 V N 2.625 122.613 119.914 0.124 0.000 2.673 546 V HA 0.417 4.536 4.120 -0.000 0.000 0.303 546 V C -0.238 175.748 176.094 -0.180 0.000 1.046 546 V CA 1.090 63.279 62.300 -0.184 0.000 1.126 546 V CB 1.323 32.751 31.823 -0.658 0.000 0.934 546 V HN 0.578 nan 8.190 nan 0.000 0.487 547 D N 3.912 124.230 120.400 -0.136 0.000 2.429 547 D HA 0.258 4.898 4.640 -0.000 0.000 0.255 547 D C -0.339 175.911 176.300 -0.083 0.000 1.257 547 D CA -0.431 53.543 54.000 -0.043 0.000 0.890 547 D CB 1.024 41.869 40.800 0.074 0.000 1.267 547 D HN 0.233 nan 8.370 nan 0.000 0.521 548 I N 3.342 123.831 120.570 -0.136 0.000 2.742 548 I HA 0.021 4.191 4.170 -0.000 0.000 0.287 548 I C -1.715 174.395 176.117 -0.013 0.000 1.186 548 I CA -1.080 60.185 61.300 -0.057 0.000 1.417 548 I CB -0.419 37.576 38.000 -0.009 0.000 1.377 548 I HN -0.012 nan 8.210 nan 0.000 0.556 549 P HA 0.107 nan 4.420 nan 0.000 0.275 549 P C -0.081 177.231 177.300 0.020 0.000 1.266 549 P CA -0.329 62.769 63.100 -0.003 0.000 0.793 549 P CB 0.175 31.861 31.700 -0.023 0.000 1.074 550 T N -2.227 112.341 114.554 0.023 0.000 2.856 550 T HA -0.044 4.306 4.350 -0.000 0.000 0.329 550 T C 1.378 176.099 174.700 0.036 0.000 1.094 550 T CA -0.151 61.967 62.100 0.030 0.000 1.112 550 T CB -0.097 68.786 68.868 0.025 0.000 1.009 550 T HN 0.269 nan 8.240 nan 0.000 0.550 551 M N 1.143 120.762 119.600 0.031 0.000 2.149 551 M HA -0.110 4.370 4.480 -0.000 0.000 0.261 551 M C 1.763 178.078 176.300 0.025 0.000 1.064 551 M CA 1.747 57.064 55.300 0.027 0.000 1.102 551 M CB -1.022 31.585 32.600 0.011 0.000 1.369 551 M HN 0.750 nan 8.290 nan 0.000 0.408 552 D N -1.237 119.175 120.400 0.020 0.000 2.123 552 D HA -0.160 4.480 4.640 -0.000 0.000 0.196 552 D C 1.724 178.044 176.300 0.033 0.000 0.992 552 D CA 2.039 56.045 54.000 0.011 0.000 0.833 552 D CB -0.174 40.626 40.800 0.000 0.000 0.954 552 D HN 0.425 nan 8.370 nan 0.000 0.455 553 T N 1.459 116.060 114.554 0.079 0.000 2.812 553 T HA -0.026 4.324 4.350 -0.000 0.000 0.264 553 T C 2.289 177.057 174.700 0.112 0.000 1.042 553 T CA 0.169 62.373 62.100 0.172 0.000 1.140 553 T CB -0.183 68.800 68.868 0.191 0.000 0.870 553 T HN 0.088 nan 8.240 nan 0.000 0.445 554 L N 0.631 121.884 121.223 0.050 0.000 2.021 554 L HA -0.221 4.119 4.340 -0.000 0.000 0.215 554 L C 2.533 179.426 176.870 0.039 0.000 1.074 554 L CA 1.657 56.510 54.840 0.021 0.000 0.760 554 L CB -0.442 41.638 42.059 0.034 0.000 0.889 554 L HN 0.234 nan 8.230 nan 0.000 0.433 555 K N -0.713 119.720 120.400 0.055 0.000 2.366 555 K HA -0.064 4.256 4.320 -0.000 0.000 0.198 555 K C 2.060 178.723 176.600 0.105 0.000 1.044 555 K CA 0.580 56.909 56.287 0.070 0.000 0.973 555 K CB 0.080 32.602 32.500 0.037 0.000 0.767 555 K HN 0.282 nan 8.250 nan 0.000 0.475 556 R N 0.211 120.777 120.500 0.110 0.000 2.246 556 R HA 0.081 4.421 4.340 -0.000 0.000 0.199 556 R C 2.091 178.581 176.300 0.318 0.000 0.984 556 R CA 0.744 56.934 56.100 0.151 0.000 1.015 556 R CB 0.147 30.481 30.300 0.056 0.000 0.930 556 R HN 0.271 nan 8.270 nan 0.000 0.475 557 M N -2.310 117.403 119.600 0.189 0.000 2.379 557 M HA 0.364 4.844 4.480 -0.000 0.000 0.265 557 M C 0.192 176.312 176.300 -0.301 0.000 1.095 557 M CA 0.649 55.919 55.300 -0.050 0.000 1.075 557 M CB 0.929 33.334 32.600 -0.324 0.000 1.443 557 M HN -0.167 nan 8.290 nan 0.000 0.519 558 M N 1.360 120.876 119.600 -0.139 0.000 2.531 558 M HA 0.419 4.899 4.480 -0.000 0.000 0.286 558 M C -0.507 175.760 176.300 -0.054 0.000 1.232 558 M CA -0.766 54.383 55.300 -0.251 0.000 0.877 558 M CB 2.839 35.335 32.600 -0.174 0.000 1.726 558 M HN 0.267 nan 8.290 nan 0.000 0.463 559 S N 0.833 116.465 115.700 -0.114 0.000 2.614 559 S HA 0.547 5.017 4.470 -0.000 0.000 0.265 559 S C 1.056 175.689 174.600 0.055 0.000 1.303 559 S CA -0.113 58.131 58.200 0.073 0.000 1.000 559 S CB 1.279 64.511 63.200 0.052 0.000 0.935 559 S HN 0.802 nan 8.310 nan 0.000 0.551 560 A N 1.588 124.455 122.820 0.078 0.000 1.940 560 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 560 A C 2.478 180.091 177.584 0.048 0.000 1.176 560 A CA 2.189 54.264 52.037 0.064 0.000 0.631 560 A CB -1.700 17.337 19.000 0.062 0.000 0.814 560 A HN 1.316 nan 8.150 nan 0.000 0.446 561 S N -0.268 115.449 115.700 0.028 0.000 2.371 561 S HA -0.171 4.299 4.470 -0.000 0.000 0.224 561 S C 1.696 176.282 174.600 -0.023 0.000 1.029 561 S CA 1.299 59.500 58.200 0.002 0.000 0.978 561 S CB -0.495 62.702 63.200 -0.004 0.000 0.833 561 S HN 0.652 nan 8.310 nan 0.000 0.466 562 E N 1.478 121.661 120.200 -0.027 0.000 2.058 562 E HA -0.091 4.259 4.350 -0.000 0.000 0.194 562 E C 2.104 178.684 176.600 -0.033 0.000 0.997 562 E CA 1.608 57.982 56.400 -0.043 0.000 0.801 562 E CB -0.486 29.178 29.700 -0.061 0.000 0.746 562 E HN 0.509 nan 8.360 nan 0.000 0.450 563 L N 0.762 121.986 121.223 0.002 0.000 2.083 563 L HA -0.215 4.124 4.340 -0.000 0.000 0.209 563 L C 2.269 179.203 176.870 0.106 0.000 1.083 563 L CA 1.170 56.041 54.840 0.052 0.000 0.752 563 L CB -0.333 41.773 42.059 0.080 0.000 0.899 563 L HN 0.121 nan 8.230 nan 0.000 0.433 564 D N -0.475 119.969 120.400 0.074 0.000 2.104 564 D HA -0.173 4.466 4.640 -0.000 0.000 0.194 564 D C 2.066 178.168 176.300 -0.330 0.000 0.994 564 D CA 1.654 55.663 54.000 0.014 0.000 0.830 564 D CB 0.126 40.928 40.800 0.003 0.000 0.959 564 D HN 0.150 nan 8.370 nan 0.000 0.452 565 T N 0.013 114.433 114.554 -0.224 0.000 2.821 565 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 565 T C 1.913 176.437 174.700 -0.294 0.000 1.046 565 T CA 0.993 62.935 62.100 -0.264 0.000 1.139 565 T CB -0.266 68.511 68.868 -0.152 0.000 0.871 565 T HN 0.219 nan 8.240 nan 0.000 0.454 566 M N 0.894 120.363 119.600 -0.218 0.000 2.073 566 M HA -0.124 4.356 4.480 -0.000 0.000 0.258 566 M C 2.341 178.352 176.300 -0.482 0.000 1.070 566 M CA 1.963 57.122 55.300 -0.236 0.000 1.103 566 M CB -0.234 32.292 32.600 -0.124 0.000 1.321 566 M HN 0.609 nan 8.290 nan 0.000 0.405 567 W N 0.563 121.469 121.300 -0.657 0.000 2.494 567 W HA -0.022 4.638 4.660 -0.000 0.000 0.286 567 W C 1.459 177.753 176.519 -0.375 0.000 1.218 567 W CA 0.561 57.368 57.345 -0.897 0.000 1.313 567 W CB -0.989 28.081 29.460 -0.651 0.000 1.105 567 W HN 0.160 nan 8.180 nan 0.000 0.561 568 K N 0.713 120.411 120.400 -1.171 0.000 2.097 568 K HA -0.170 4.149 4.320 -0.000 0.000 0.205 568 K C 0.375 176.710 176.600 -0.442 0.000 1.050 568 K CA 1.249 56.948 56.287 -0.981 0.000 0.938 568 K CB -0.274 31.604 32.500 -1.036 0.000 0.718 568 K HN -0.041 nan 8.250 nan 0.000 0.442 569 N N -0.324 118.163 118.700 -0.355 0.000 2.707 569 N HA 0.166 4.906 4.740 -0.000 0.000 0.249 569 N C -2.613 172.820 175.510 -0.127 0.000 1.299 569 N CA -1.761 51.174 53.050 -0.192 0.000 0.769 569 N CB 1.340 39.727 38.487 -0.168 0.000 1.236 569 N HN -0.259 nan 8.380 nan 0.000 0.524 570 P HA -0.033 nan 4.420 nan 0.000 0.223 570 P C 0.703 178.028 177.300 0.042 0.000 1.144 570 P CA 0.927 64.048 63.100 0.035 0.000 0.783 570 P CB 0.389 32.202 31.700 0.189 0.000 0.771 571 S N -0.913 114.795 115.700 0.013 0.000 2.481 571 S HA 0.082 4.552 4.470 -0.000 0.000 0.231 571 S C 1.160 175.757 174.600 -0.005 0.000 0.996 571 S CA 0.301 58.508 58.200 0.012 0.000 0.942 571 S CB -0.622 62.581 63.200 0.004 0.000 0.768 571 S HN 0.185 nan 8.310 nan 0.000 0.520 572 A N 1.908 124.712 122.820 -0.026 0.000 2.445 572 A HA 0.254 4.573 4.320 -0.000 0.000 0.242 572 A C 0.362 177.937 177.584 -0.015 0.000 1.075 572 A CA -0.161 51.858 52.037 -0.031 0.000 0.777 572 A CB 0.129 19.096 19.000 -0.056 0.000 1.013 572 A HN 0.301 nan 8.150 nan 0.000 0.493 573 K N 1.227 121.621 120.400 -0.009 0.000 2.448 573 K HA 0.099 4.419 4.320 -0.000 0.000 0.278 573 K C -0.404 176.203 176.600 0.010 0.000 1.009 573 K CA 0.352 56.641 56.287 0.003 0.000 0.995 573 K CB 0.244 32.752 32.500 0.014 0.000 0.917 573 K HN 0.638 nan 8.250 nan 0.000 0.481 574 Q N 2.867 122.673 119.800 0.009 0.000 2.325 574 Q HA 0.042 4.382 4.340 -0.000 0.000 0.270 574 Q C 0.084 176.122 176.000 0.062 0.000 1.020 574 Q CA -0.299 55.521 55.803 0.028 0.000 0.785 574 Q CB 1.300 30.031 28.738 -0.011 0.000 1.259 574 Q HN 0.656 nan 8.270 nan 0.000 0.452 575 Y N 3.106 123.396 120.300 -0.016 0.000 2.207 575 Y HA -0.232 4.318 4.550 -0.000 0.000 0.287 575 Y C 1.453 177.337 175.900 -0.027 0.000 1.156 575 Y CA 2.051 60.143 58.100 -0.014 0.000 1.182 575 Y CB 0.358 38.809 38.460 -0.014 0.000 0.979 575 Y HN 0.683 nan 8.280 nan 0.000 0.521 576 H N -0.481 118.534 119.070 -0.092 0.000 2.547 576 H HA 0.084 4.639 4.556 -0.000 0.000 0.274 576 H C 1.750 176.920 175.328 -0.263 0.000 1.024 576 H CA 0.596 56.439 56.048 -0.342 0.000 1.155 576 H CB 0.292 29.714 29.762 -0.566 0.000 1.344 576 H HN 0.345 nan 8.280 nan 0.000 0.598 577 R N 0.326 120.718 120.500 -0.179 0.000 1.906 577 R HA 0.106 4.446 4.340 -0.000 0.000 0.186 577 R C 0.067 176.099 176.300 -0.446 0.000 1.615 577 R CA 0.407 56.241 56.100 -0.443 0.000 1.265 577 R CB 0.422 30.453 30.300 -0.447 0.000 0.976 577 R HN 0.014 nan 8.270 nan 0.000 0.487 578 S N -1.404 114.114 115.700 -0.303 0.000 2.536 578 S HA 0.232 4.702 4.470 -0.000 0.000 0.271 578 S C 0.166 174.723 174.600 -0.071 0.000 1.134 578 S CA -0.230 57.868 58.200 -0.170 0.000 0.897 578 S CB 1.668 64.797 63.200 -0.118 0.000 1.094 578 S HN 0.495 nan 8.310 nan 0.000 0.473 579 S N 2.278 117.947 115.700 -0.052 0.000 2.469 579 S HA -0.002 4.468 4.470 -0.000 0.000 0.238 579 S C 1.044 175.666 174.600 0.036 0.000 0.998 579 S CA 0.798 58.992 58.200 -0.010 0.000 0.957 579 S CB -0.366 62.823 63.200 -0.019 0.000 0.764 579 S HN 0.730 nan 8.310 nan 0.000 0.514 580 S N 1.085 116.833 115.700 0.080 0.000 2.562 580 S HA 0.094 4.564 4.470 -0.000 0.000 0.281 580 S C 0.707 175.315 174.600 0.013 0.000 1.333 580 S CA -0.503 57.755 58.200 0.097 0.000 1.052 580 S CB 0.383 63.730 63.200 0.245 0.000 0.884 580 S HN 0.298 nan 8.310 nan 0.000 0.506 581 D N 3.082 123.469 120.400 -0.022 0.000 2.149 581 D HA -0.043 4.597 4.640 -0.000 0.000 0.201 581 D C 1.838 178.051 176.300 -0.146 0.000 0.972 581 D CA 1.374 55.342 54.000 -0.054 0.000 0.835 581 D CB -0.479 40.303 40.800 -0.030 0.000 0.966 581 D HN 0.656 nan 8.370 nan 0.000 0.476 582 T N 0.129 114.502 114.554 -0.301 0.000 2.821 582 T HA -0.102 4.248 4.350 -0.000 0.000 0.267 582 T C 0.969 175.230 174.700 -0.732 0.000 1.046 582 T CA 0.768 62.465 62.100 -0.672 0.000 1.139 582 T CB -0.127 68.060 68.868 -1.134 0.000 0.871 582 T HN 0.086 nan 8.240 nan 0.000 0.454 583 F N 0.565 120.464 119.950 -0.085 0.000 2.772 583 F HA 0.494 5.021 4.527 -0.000 0.000 0.302 583 F C 1.803 177.510 175.800 -0.155 0.000 1.136 583 F CA -1.375 56.557 58.000 -0.114 0.000 1.322 583 F CB -0.361 38.576 39.000 -0.105 0.000 0.967 583 F HN 0.093 nan 8.300 nan 0.000 0.513 584 G N 0.226 109.018 108.800 -0.015 0.000 2.511 584 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.217 584 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.217 584 G C 0.663 175.545 174.900 -0.029 0.000 1.133 584 G CA 0.486 45.570 45.100 -0.027 0.000 0.792 584 G HN 0.434 nan 8.290 nan 0.000 0.539 585 N N -1.157 117.536 118.700 -0.011 0.000 3.091 585 N HA 0.465 5.205 4.740 -0.000 0.000 0.329 585 N C -0.077 175.458 175.510 0.041 0.000 1.430 585 N CA -0.995 52.059 53.050 0.007 0.000 0.755 585 N CB 0.543 39.039 38.487 0.014 0.000 1.626 585 N HN -0.091 nan 8.380 nan 0.000 0.614 586 L N -0.811 120.462 121.223 0.083 0.000 3.110 586 L HA 0.399 4.739 4.340 -0.000 0.000 0.266 586 L C 1.709 178.724 176.870 0.242 0.000 1.257 586 L CA -0.322 54.624 54.840 0.177 0.000 1.038 586 L CB 0.000 42.193 42.059 0.223 0.000 1.395 586 L HN 0.658 nan 8.230 nan 0.000 0.566 587 K N 1.490 121.985 120.400 0.158 0.000 1.985 587 K HA -0.117 4.203 4.320 -0.000 0.000 0.210 587 K C 1.963 178.655 176.600 0.152 0.000 1.047 587 K CA 1.502 57.868 56.287 0.130 0.000 0.932 587 K CB 0.001 32.545 32.500 0.075 0.000 0.716 587 K HN 0.295 nan 8.250 nan 0.000 0.439 588 L N 0.342 121.660 121.223 0.158 0.000 2.043 588 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 588 L C 2.548 179.550 176.870 0.221 0.000 1.075 588 L CA 1.560 56.506 54.840 0.177 0.000 0.752 588 L CB -0.570 41.581 42.059 0.152 0.000 0.891 588 L HN 0.262 nan 8.230 nan 0.000 0.432 589 F N 0.746 120.777 119.950 0.135 0.000 2.102 589 F HA -0.116 4.410 4.527 -0.000 0.000 0.298 589 F C 2.251 178.070 175.800 0.031 0.000 1.105 589 F CA 1.662 59.711 58.000 0.082 0.000 1.239 589 F CB -0.671 38.426 39.000 0.162 0.000 0.991 589 F HN -0.034 nan 8.300 nan 0.000 0.474 590 G N -0.283 108.638 108.800 0.202 0.000 2.418 590 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 590 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 590 G C 1.280 176.185 174.900 0.008 0.000 1.158 590 G CA 1.026 46.223 45.100 0.160 0.000 0.771 590 G HN 0.348 nan 8.290 nan 0.000 0.545 591 D N 1.146 121.550 120.400 0.006 0.000 2.097 591 D HA -0.039 4.601 4.640 -0.000 0.000 0.195 591 D C 2.786 179.007 176.300 -0.133 0.000 0.989 591 D CA 1.350 55.323 54.000 -0.045 0.000 0.827 591 D CB -0.506 40.297 40.800 0.004 0.000 0.966 591 D HN 0.315 nan 8.370 nan 0.000 0.456 592 A N 0.374 123.110 122.820 -0.141 0.000 1.929 592 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 592 A C 2.148 179.588 177.584 -0.239 0.000 1.176 592 A CA 0.689 52.629 52.037 -0.163 0.000 0.628 592 A CB -0.667 18.055 19.000 -0.462 0.000 0.816 592 A HN 0.185 nan 8.150 nan 0.000 0.444 593 L N -0.189 120.799 121.223 -0.391 0.000 1.989 593 L HA -0.161 4.178 4.340 -0.000 0.000 0.211 593 L C 2.632 179.480 176.870 -0.036 0.000 1.071 593 L CA 2.706 57.380 54.840 -0.277 0.000 0.749 593 L CB -0.927 40.796 42.059 -0.560 0.000 0.890 593 L HN 0.391 nan 8.230 nan 0.000 0.431 594 T N -0.651 113.873 114.554 -0.050 0.000 2.652 594 T HA -0.255 4.095 4.350 -0.000 0.000 0.267 594 T C 1.906 176.574 174.700 -0.054 0.000 1.039 594 T CA 1.922 64.017 62.100 -0.009 0.000 1.153 594 T CB -0.195 68.667 68.868 -0.010 0.000 0.863 594 T HN 0.290 nan 8.240 nan 0.000 0.428 595 K N 0.137 120.438 120.400 -0.165 0.000 2.211 595 K HA 0.043 4.363 4.320 -0.000 0.000 0.203 595 K C 2.531 179.068 176.600 -0.106 0.000 1.050 595 K CA 0.880 57.010 56.287 -0.262 0.000 0.945 595 K CB 0.072 32.114 32.500 -0.763 0.000 0.732 595 K HN 0.239 nan 8.250 nan 0.000 0.451 596 R N -0.926 119.559 120.500 -0.024 0.000 2.084 596 R HA 0.064 4.404 4.340 -0.000 0.000 0.209 596 R C 1.955 178.108 176.300 -0.246 0.000 1.173 596 R CA 0.521 56.594 56.100 -0.045 0.000 1.053 596 R CB -0.434 29.872 30.300 0.009 0.000 0.948 596 R HN 0.096 nan 8.270 nan 0.000 0.460 597 Y N 1.194 121.509 120.300 0.025 0.000 2.205 597 Y HA -0.271 4.279 4.550 -0.000 0.000 0.277 597 Y C 1.376 177.297 175.900 0.035 0.000 1.251 597 Y CA 1.215 59.328 58.100 0.021 0.000 1.154 597 Y CB -0.920 37.546 38.460 0.010 0.000 0.949 597 Y HN 0.395 nan 8.280 nan 0.000 0.524 598 G N -0.656 108.214 108.800 0.118 0.000 2.788 598 G HA2 0.197 4.157 3.960 -0.000 0.000 0.686 598 G HA3 0.197 4.157 3.960 -0.000 0.000 0.686 598 G C -0.362 174.602 174.900 0.107 0.000 1.147 598 G CA -1.066 44.090 45.100 0.094 0.000 0.755 598 G HN 0.828 nan 8.290 nan 0.000 0.634 599 A N 1.627 124.498 122.820 0.085 0.000 2.561 599 A HA 0.566 4.886 4.320 -0.000 0.000 0.234 599 A C 1.203 178.873 177.584 0.144 0.000 1.055 599 A CA 1.165 53.270 52.037 0.113 0.000 0.756 599 A CB 0.118 19.173 19.000 0.093 0.000 0.986 599 A HN 2.020 nan 8.150 nan 0.000 0.505 600 S N 1.309 117.138 115.700 0.216 0.000 2.528 600 S HA 0.357 4.827 4.470 -0.000 0.000 0.277 600 S C 1.395 176.081 174.600 0.144 0.000 1.297 600 S CA -0.013 58.308 58.200 0.202 0.000 1.052 600 S CB 1.397 64.825 63.200 0.379 0.000 0.917 600 S HN 1.076 nan 8.310 nan 0.000 0.492 601 A N 3.403 126.203 122.820 -0.034 0.000 2.016 601 A HA 0.144 4.464 4.320 -0.000 0.000 0.217 601 A C 0.706 178.078 177.584 -0.354 0.000 1.162 601 A CA 0.918 52.904 52.037 -0.086 0.000 0.662 601 A CB -0.456 18.485 19.000 -0.099 0.000 0.812 601 A HN 0.943 nan 8.150 nan 0.000 0.450 602 N N -4.373 113.811 118.700 -0.860 0.000 3.373 602 N HA 0.187 4.927 4.740 -0.000 0.000 0.275 602 N C -0.148 174.385 175.510 -1.629 0.000 1.489 602 N CA -0.265 51.869 53.050 -1.526 0.000 0.872 602 N CB -0.028 38.069 38.487 -0.649 0.000 1.555 602 N HN -0.061 nan 8.380 nan 0.000 0.500 603 L N 0.409 120.738 121.223 -1.490 0.000 1.989 603 L HA 0.011 4.351 4.340 -0.000 0.000 0.211 603 L C 1.269 177.963 176.870 -0.294 0.000 1.071 603 L CA 2.104 56.481 54.840 -0.772 0.000 0.749 603 L CB -1.281 40.592 42.059 -0.311 0.000 0.890 603 L HN 0.656 nan 8.230 nan 0.000 0.431 604 N N -0.108 118.427 118.700 -0.275 0.000 2.104 604 N HA -0.218 4.522 4.740 -0.000 0.000 0.190 604 N C 1.645 177.050 175.510 -0.175 0.000 1.024 604 N CA 1.564 54.507 53.050 -0.179 0.000 0.853 604 N CB -0.572 37.801 38.487 -0.190 0.000 1.008 604 N HN 0.485 nan 8.380 nan 0.000 0.424 605 D N -0.064 120.201 120.400 -0.224 0.000 2.097 605 D HA -0.126 4.514 4.640 -0.000 0.000 0.195 605 D C 1.760 178.033 176.300 -0.045 0.000 0.989 605 D CA 0.592 54.489 54.000 -0.173 0.000 0.827 605 D CB -0.292 40.402 40.800 -0.177 0.000 0.966 605 D HN 0.191 nan 8.370 nan 0.000 0.456 606 F N 0.357 120.219 119.950 -0.146 0.000 2.134 606 F HA -0.167 4.360 4.527 -0.000 0.000 0.299 606 F C 2.092 177.908 175.800 0.027 0.000 1.097 606 F CA 1.190 59.189 58.000 -0.002 0.000 1.264 606 F CB -0.294 38.762 39.000 0.094 0.000 1.001 606 F HN -0.113 nan 8.300 nan 0.000 0.479 607 V N 2.346 122.306 119.914 0.077 0.000 2.379 607 V HA -0.249 3.871 4.120 -0.000 0.000 0.245 607 V C 2.640 178.704 176.094 -0.049 0.000 1.044 607 V CA 2.079 64.390 62.300 0.018 0.000 1.036 607 V CB -0.885 30.986 31.823 0.079 0.000 0.664 607 V HN 0.425 nan 8.190 nan 0.000 0.453 608 R N 0.889 121.354 120.500 -0.058 0.000 2.115 608 R HA -0.133 4.207 4.340 -0.000 0.000 0.226 608 R C 2.055 178.375 176.300 0.034 0.000 1.100 608 R CA 1.561 57.650 56.100 -0.018 0.000 0.980 608 R CB -0.398 29.814 30.300 -0.147 0.000 0.875 608 R HN 0.383 nan 8.270 nan 0.000 0.445 609 K N 0.705 121.070 120.400 -0.058 0.000 2.103 609 K HA 0.076 4.396 4.320 -0.000 0.000 0.204 609 K C 2.251 178.576 176.600 -0.459 0.000 1.052 609 K CA 1.101 57.234 56.287 -0.257 0.000 0.945 609 K CB -0.046 32.331 32.500 -0.206 0.000 0.722 609 K HN 0.267 nan 8.250 nan 0.000 0.443 610 A N 1.394 124.030 122.820 -0.307 0.000 1.902 610 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 610 A C 2.028 179.614 177.584 0.004 0.000 1.181 610 A CA 1.269 53.251 52.037 -0.092 0.000 0.623 610 A CB -0.333 18.616 19.000 -0.086 0.000 0.818 610 A HN 0.164 nan 8.150 nan 0.000 0.443 611 Q N 0.008 119.788 119.800 -0.034 0.000 2.096 611 Q HA -0.121 4.219 4.340 -0.000 0.000 0.204 611 Q C 2.158 178.158 176.000 -0.000 0.000 0.982 611 Q CA 1.319 57.145 55.803 0.039 0.000 0.850 611 Q CB -0.663 28.125 28.738 0.084 0.000 0.901 611 Q HN 0.716 nan 8.270 nan 0.000 0.422 612 L N -0.045 121.025 121.223 -0.256 0.000 2.044 612 L HA -0.117 4.223 4.340 -0.000 0.000 0.205 612 L C 2.575 179.589 176.870 0.240 0.000 1.075 612 L CA 1.157 55.840 54.840 -0.261 0.000 0.747 612 L CB -0.543 41.094 42.059 -0.702 0.000 0.903 612 L HN 0.201 nan 8.230 nan 0.000 0.435 613 S N -0.527 115.152 115.700 -0.035 0.000 2.370 613 S HA -0.249 4.221 4.470 -0.000 0.000 0.226 613 S C 1.922 176.781 174.600 0.432 0.000 1.033 613 S CA 1.543 59.897 58.200 0.256 0.000 1.011 613 S CB -0.011 63.216 63.200 0.046 0.000 0.852 613 S HN 0.422 nan 8.310 nan 0.000 0.457 614 Q N -1.014 119.005 119.800 0.365 0.000 2.046 614 Q HA -0.088 4.252 4.340 -0.000 0.000 0.200 614 Q C 1.930 178.144 176.000 0.357 0.000 0.975 614 Q CA 1.836 57.856 55.803 0.361 0.000 0.836 614 Q CB -0.395 28.504 28.738 0.268 0.000 0.896 614 Q HN 0.773 nan 8.270 nan 0.000 0.428 615 Y N 1.686 122.150 120.300 0.274 0.000 2.081 615 Y HA -0.338 4.212 4.550 -0.000 0.000 0.280 615 Y C 2.423 178.492 175.900 0.281 0.000 1.163 615 Y CA 2.027 60.312 58.100 0.308 0.000 1.135 615 Y CB 0.027 38.766 38.460 0.464 0.000 0.970 615 Y HN 0.154 nan 8.280 nan 0.000 0.498 616 E N -0.097 120.506 120.200 0.673 0.000 2.070 616 E HA -0.315 4.035 4.350 -0.000 0.000 0.197 616 E C 2.047 178.836 176.600 0.314 0.000 1.004 616 E CA 1.573 58.205 56.400 0.388 0.000 0.805 616 E CB -0.389 29.550 29.700 0.398 0.000 0.744 616 E HN 0.523 nan 8.360 nan 0.000 0.451 617 N N -0.065 118.846 118.700 0.350 0.000 2.207 617 N HA -0.099 4.641 4.740 -0.000 0.000 0.182 617 N C 1.994 177.637 175.510 0.222 0.000 1.020 617 N CA 0.982 54.234 53.050 0.337 0.000 0.858 617 N CB 0.167 38.892 38.487 0.397 0.000 0.991 617 N HN 0.060 nan 8.380 nan 0.000 0.427 618 V N 1.879 121.896 119.914 0.171 0.000 2.358 618 V HA -0.161 3.958 4.120 -0.000 0.000 0.246 618 V C 2.670 178.794 176.094 0.049 0.000 1.047 618 V CA 1.438 63.770 62.300 0.053 0.000 1.035 618 V CB -0.563 31.216 31.823 -0.073 0.000 0.658 618 V HN 0.327 nan 8.190 nan 0.000 0.452 619 R N 0.441 120.956 120.500 0.024 0.000 2.094 619 R HA -0.228 4.112 4.340 -0.000 0.000 0.239 619 R C 2.314 178.725 176.300 0.184 0.000 1.137 619 R CA 2.032 58.161 56.100 0.049 0.000 0.943 619 R CB -0.545 29.751 30.300 -0.008 0.000 0.850 619 R HN 0.471 nan 8.270 nan 0.000 0.433 620 A N 0.784 123.764 122.820 0.267 0.000 1.902 620 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 620 A C 2.053 179.653 177.584 0.026 0.000 1.181 620 A CA 1.734 53.999 52.037 0.380 0.000 0.623 620 A CB -0.657 18.659 19.000 0.526 0.000 0.818 620 A HN 0.654 nan 8.150 nan 0.000 0.443 621 E N -1.121 118.846 120.200 -0.388 0.000 2.049 621 E HA -0.220 4.129 4.350 -0.000 0.000 0.198 621 E C 1.703 177.947 176.600 -0.594 0.000 1.007 621 E CA 1.672 57.414 56.400 -1.098 0.000 0.809 621 E CB -0.255 28.555 29.700 -1.482 0.000 0.749 621 E HN 0.614 nan 8.360 nan 0.000 0.450 622 F N 1.120 120.875 119.950 -0.325 0.000 2.113 622 F HA -0.074 4.453 4.527 -0.000 0.000 0.297 622 F C 2.410 178.159 175.800 -0.084 0.000 1.103 622 F CA 1.355 59.220 58.000 -0.226 0.000 1.248 622 F CB -0.226 38.630 39.000 -0.241 0.000 0.999 622 F HN 0.057 nan 8.300 nan 0.000 0.475 623 E N 0.035 120.337 120.200 0.171 0.000 2.118 623 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 623 E C 2.331 179.002 176.600 0.119 0.000 0.992 623 E CA 1.661 58.190 56.400 0.215 0.000 0.804 623 E CB -0.275 29.647 29.700 0.370 0.000 0.741 623 E HN 0.430 nan 8.360 nan 0.000 0.458 624 S N 0.446 116.059 115.700 -0.144 0.000 2.356 624 S HA -0.228 4.242 4.470 -0.000 0.000 0.223 624 S C 1.784 176.271 174.600 -0.188 0.000 1.032 624 S CA 1.442 59.341 58.200 -0.503 0.000 1.005 624 S CB -0.589 62.054 63.200 -0.929 0.000 0.867 624 S HN 0.319 nan 8.310 nan 0.000 0.449 625 H N 1.503 120.474 119.070 -0.164 0.000 2.353 625 H HA 0.136 4.692 4.556 -0.000 0.000 0.300 625 H C 2.609 177.935 175.328 -0.002 0.000 1.090 625 H CA 1.585 57.572 56.048 -0.102 0.000 1.327 625 H CB -0.502 29.134 29.762 -0.211 0.000 1.383 625 H HN 0.375 nan 8.280 nan 0.000 0.508 626 S N -0.124 115.660 115.700 0.139 0.000 2.356 626 S HA -0.172 4.298 4.470 -0.000 0.000 0.223 626 S C 2.121 176.830 174.600 0.182 0.000 1.032 626 S CA 1.168 59.452 58.200 0.141 0.000 1.005 626 S CB -0.079 63.202 63.200 0.135 0.000 0.867 626 S HN 0.373 nan 8.310 nan 0.000 0.449 627 R N 1.304 121.900 120.500 0.160 0.000 2.073 627 R HA -0.029 4.311 4.340 -0.000 0.000 0.234 627 R C 1.082 177.464 176.300 0.137 0.000 1.134 627 R CA 1.469 57.664 56.100 0.158 0.000 0.952 627 R CB -0.269 30.146 30.300 0.191 0.000 0.850 627 R HN 0.275 nan 8.270 nan 0.000 0.433 628 N N 0.024 118.788 118.700 0.107 0.000 2.521 628 N HA -0.129 4.610 4.740 -0.000 0.000 0.188 628 N C 0.980 176.566 175.510 0.128 0.000 1.146 628 N CA 0.364 53.465 53.050 0.086 0.000 0.893 628 N CB -0.241 38.265 38.487 0.031 0.000 0.975 628 N HN 0.331 nan 8.380 nan 0.000 0.451 629 Y N 1.905 122.228 120.300 0.038 0.000 2.274 629 Y HA -0.148 4.402 4.550 -0.000 0.000 0.290 629 Y C 1.697 177.629 175.900 0.054 0.000 1.145 629 Y CA 1.452 59.582 58.100 0.050 0.000 1.203 629 Y CB -0.483 38.011 38.460 0.057 0.000 0.984 629 Y HN 0.075 nan 8.280 nan 0.000 0.533 630 T N -2.074 112.423 114.554 -0.095 0.000 3.186 630 T HA 0.162 4.512 4.350 -0.000 0.000 0.257 630 T C -0.114 174.534 174.700 -0.085 0.000 1.029 630 T CA -0.340 61.646 62.100 -0.191 0.000 0.916 630 T CB -0.467 68.331 68.868 -0.116 0.000 1.041 630 T HN 0.010 nan 8.240 nan 0.000 0.562 631 D N 1.944 122.322 120.400 -0.037 0.000 2.443 631 D HA 0.218 4.858 4.640 -0.000 0.000 0.239 631 D C 1.033 177.313 176.300 -0.033 0.000 1.136 631 D CA -0.091 53.899 54.000 -0.018 0.000 0.879 631 D CB 1.396 42.201 40.800 0.009 0.000 1.195 631 D HN 0.094 nan 8.370 nan 0.000 0.443 632 S N 0.240 115.923 115.700 -0.029 0.000 2.399 632 S HA -0.055 4.415 4.470 -0.000 0.000 0.231 632 S C 0.821 175.408 174.600 -0.022 0.000 1.022 632 S CA 0.866 59.048 58.200 -0.029 0.000 0.983 632 S CB 0.207 63.392 63.200 -0.026 0.000 0.803 632 S HN 0.462 nan 8.310 nan 0.000 0.480 633 T N 2.481 117.023 114.554 -0.020 0.000 2.848 633 T HA 0.344 4.694 4.350 -0.000 0.000 0.285 633 T C -0.230 174.465 174.700 -0.008 0.000 0.995 633 T CA -0.653 61.434 62.100 -0.021 0.000 0.970 633 T CB 1.080 69.924 68.868 -0.041 0.000 0.976 633 T HN 0.126 nan 8.240 nan 0.000 0.441 634 N N 2.853 121.561 118.700 0.013 0.000 2.696 634 N HA -0.106 4.634 4.740 -0.000 0.000 0.256 634 N C -2.602 172.980 175.510 0.119 0.000 1.031 634 N CA 0.234 53.322 53.050 0.064 0.000 0.730 634 N CB -0.167 38.308 38.487 -0.021 0.000 0.894 634 N HN 0.397 nan 8.380 nan 0.000 0.544 635 P HA 0.075 nan 4.420 nan 0.000 0.274 635 P C -0.185 177.219 177.300 0.174 0.000 1.237 635 P CA -0.170 62.996 63.100 0.110 0.000 0.793 635 P CB 0.477 32.209 31.700 0.054 0.000 0.977 636 S N -0.239 115.552 115.700 0.151 0.000 2.549 636 S HA 0.215 4.685 4.470 -0.000 0.000 0.283 636 S C 1.073 175.815 174.600 0.236 0.000 1.320 636 S CA 0.049 58.326 58.200 0.129 0.000 1.058 636 S CB -0.367 62.840 63.200 0.011 0.000 0.882 636 S HN 0.671 nan 8.310 nan 0.000 0.498 637 T N -1.352 113.307 114.554 0.174 0.000 3.004 637 T HA 0.537 4.887 4.350 -0.000 0.000 0.266 637 T C 0.570 175.251 174.700 -0.032 0.000 0.986 637 T CA 0.126 62.373 62.100 0.245 0.000 0.902 637 T CB 0.181 69.265 68.868 0.359 0.000 1.118 637 T HN 1.192 nan 8.240 nan 0.000 0.522 638 G N 0.897 109.422 108.800 -0.459 0.000 2.655 638 G HA2 0.540 4.500 3.960 -0.000 0.000 0.296 638 G HA3 0.540 4.500 3.960 -0.000 0.000 0.296 638 G C -2.586 171.726 174.900 -0.979 0.000 1.485 638 G CA -0.791 43.572 45.100 -1.227 0.000 0.869 638 G HN 0.440 nan 8.290 nan 0.000 0.540 639 L N 1.878 122.640 121.223 -0.769 0.000 2.476 639 L HA 0.736 5.076 4.340 -0.000 0.000 0.269 639 L C -1.368 175.247 176.870 -0.425 0.000 0.965 639 L CA -0.870 53.551 54.840 -0.699 0.000 0.845 639 L CB 1.736 43.196 42.059 -0.998 0.000 1.259 639 L HN 0.427 nan 8.230 nan 0.000 0.403 640 I N 5.467 125.858 120.570 -0.297 0.000 2.371 640 I HA 0.184 4.354 4.170 -0.000 0.000 0.282 640 I C -0.589 175.467 176.117 -0.101 0.000 1.031 640 I CA -0.531 60.728 61.300 -0.067 0.000 1.180 640 I CB 0.892 38.946 38.000 0.090 0.000 1.336 640 I HN 0.657 nan 8.210 nan 0.000 0.467 641 Y N 6.213 126.405 120.300 -0.180 0.000 2.620 641 Y HA -0.023 4.527 4.550 -0.000 0.000 0.330 641 Y C -0.118 175.780 175.900 -0.003 0.000 1.186 641 Y CA 0.219 58.207 58.100 -0.188 0.000 1.467 641 Y CB 0.631 39.047 38.460 -0.074 0.000 1.262 641 Y HN 0.534 nan 8.280 nan 0.000 0.550 642 W N 10.512 131.230 121.300 -0.971 0.000 2.316 642 W HA 0.389 5.049 4.660 -0.000 0.000 0.339 642 W C -1.371 174.656 176.519 -0.820 0.000 1.002 642 W CA -0.619 56.224 57.345 -0.837 0.000 1.465 642 W CB 0.531 29.451 29.460 -0.899 0.000 1.300 642 W HN 0.610 nan 8.180 nan 0.000 0.378 643 M N 3.056 122.364 119.600 -0.486 0.000 2.719 643 M HA 0.167 4.647 4.480 -0.000 0.000 0.291 643 M C 0.887 177.090 176.300 -0.162 0.000 1.264 643 M CA -0.845 54.090 55.300 -0.609 0.000 0.811 643 M CB 2.188 34.066 32.600 -1.204 0.000 1.756 643 M HN 0.248 nan 8.290 nan 0.000 0.464 644 L N 1.800 122.892 121.223 -0.219 0.000 2.046 644 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 644 L C 0.541 177.106 176.870 -0.508 0.000 1.077 644 L CA 1.805 56.533 54.840 -0.188 0.000 0.747 644 L CB -0.134 41.889 42.059 -0.061 0.000 0.896 644 L HN 0.884 nan 8.230 nan 0.000 0.432 645 N N -2.710 115.635 118.700 -0.593 0.000 3.243 645 N HA 0.247 4.987 4.740 -0.000 0.000 0.280 645 N C -1.312 173.897 175.510 -0.501 0.000 1.545 645 N CA -0.235 52.373 53.050 -0.736 0.000 0.854 645 N CB 1.270 39.134 38.487 -1.038 0.000 1.612 645 N HN -0.070 nan 8.380 nan 0.000 0.577 646 S N -1.284 114.188 115.700 -0.380 0.000 2.566 646 S HA 0.646 5.116 4.470 -0.000 0.000 0.298 646 S C -2.171 172.310 174.600 -0.198 0.000 1.083 646 S CA -1.623 56.432 58.200 -0.242 0.000 0.978 646 S CB 1.280 64.394 63.200 -0.144 0.000 1.073 646 S HN 0.428 nan 8.310 nan 0.000 0.491 647 P HA 0.145 nan 4.420 nan 0.000 0.233 647 P C -0.244 176.936 177.300 -0.201 0.000 1.167 647 P CA 0.736 63.675 63.100 -0.269 0.000 0.770 647 P CB -0.012 31.304 31.700 -0.641 0.000 0.837 648 W N -1.793 119.173 121.300 -0.557 0.000 2.894 648 W HA 0.359 5.019 4.660 -0.000 0.000 0.424 648 W C -1.228 174.718 176.519 -0.955 0.000 1.072 648 W CA -0.698 56.053 57.345 -0.989 0.000 1.194 648 W CB -0.691 28.329 29.460 -0.734 0.000 1.471 648 W HN -0.329 nan 8.180 nan 0.000 0.608 649 T N 1.308 115.002 114.554 -1.432 0.000 2.817 649 T HA 0.432 4.782 4.350 -0.000 0.000 0.295 649 T C -0.172 173.919 174.700 -1.015 0.000 0.958 649 T CA 0.255 61.716 62.100 -1.065 0.000 1.157 649 T CB 0.838 69.177 68.868 -0.883 0.000 0.898 649 T HN 0.706 nan 8.240 nan 0.000 0.536 650 S N 1.956 117.311 115.700 -0.575 0.000 2.595 650 S HA 0.570 5.040 4.470 -0.000 0.000 0.281 650 S C 0.422 174.891 174.600 -0.219 0.000 1.117 650 S CA -1.020 56.969 58.200 -0.351 0.000 0.873 650 S CB 1.161 64.290 63.200 -0.118 0.000 1.108 650 S HN 0.733 nan 8.310 nan 0.000 0.477 651 L N 2.833 123.955 121.223 -0.170 0.000 2.640 651 L HA 0.399 4.739 4.340 -0.000 0.000 0.230 651 L C 0.546 177.364 176.870 -0.087 0.000 1.123 651 L CA -0.098 54.660 54.840 -0.137 0.000 0.900 651 L CB -0.367 41.607 42.059 -0.142 0.000 1.146 651 L HN 0.768 nan 8.230 nan 0.000 0.484 652 H N -5.946 112.994 119.070 -0.216 0.000 2.990 652 H HA 0.213 4.769 4.556 -0.000 0.000 0.343 652 H C -1.208 174.071 175.328 -0.081 0.000 1.270 652 H CA -1.237 54.666 56.048 -0.242 0.000 1.118 652 H CB 0.770 30.196 29.762 -0.560 0.000 1.861 652 H HN -0.101 nan 8.280 nan 0.000 0.544 653 W N 1.727 122.888 121.300 -0.232 0.000 6.544 653 W HA -0.191 4.469 4.660 -0.000 0.000 0.423 653 W C -0.942 175.394 176.519 -0.305 0.000 1.688 653 W CA 1.256 58.351 57.345 -0.417 0.000 1.082 653 W CB -2.279 26.658 29.460 -0.871 0.000 2.917 653 W HN 0.900 nan 8.180 nan 0.000 1.481 654 Q N -1.946 117.916 119.800 0.104 0.000 2.479 654 Q HA 0.626 4.966 4.340 -0.000 0.000 0.276 654 Q C -0.418 175.579 176.000 -0.005 0.000 0.989 654 Q CA -1.093 54.683 55.803 -0.045 0.000 0.864 654 Q CB 1.109 29.770 28.738 -0.128 0.000 1.444 654 Q HN 0.127 nan 8.270 nan 0.000 0.388 655 L N 0.436 121.585 121.223 -0.124 0.000 2.265 655 L HA 0.333 4.673 4.340 -0.000 0.000 0.195 655 L C 0.598 177.581 176.870 0.189 0.000 1.083 655 L CA 0.357 55.154 54.840 -0.071 0.000 0.798 655 L CB 0.184 42.138 42.059 -0.175 0.000 0.989 655 L HN 0.677 nan 8.230 nan 0.000 0.472 656 F N 0.495 120.586 119.950 0.234 0.000 2.425 656 F HA 0.523 5.050 4.527 -0.000 0.000 0.331 656 F C -0.032 175.812 175.800 0.073 0.000 1.085 656 F CA -1.850 56.279 58.000 0.215 0.000 1.028 656 F CB 0.144 39.379 39.000 0.392 0.000 1.177 656 F HN -0.005 nan 8.300 nan 0.000 0.487 657 D N 1.886 122.391 120.400 0.175 0.000 2.433 657 D HA 0.372 5.012 4.640 -0.000 0.000 0.255 657 D C 1.104 177.426 176.300 0.037 0.000 1.226 657 D CA -0.348 53.653 54.000 0.000 0.000 1.015 657 D CB 0.713 41.489 40.800 -0.039 0.000 1.091 657 D HN 0.746 nan 8.370 nan 0.000 0.527 658 A N -0.757 121.942 122.820 -0.201 0.000 2.076 658 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 658 A C 1.327 178.851 177.584 -0.101 0.000 1.160 658 A CA 1.083 52.979 52.037 -0.235 0.000 0.653 658 A CB -1.006 17.626 19.000 -0.613 0.000 0.801 658 A HN 0.587 nan 8.150 nan 0.000 0.455 659 Y N -1.595 118.774 120.300 0.115 0.000 2.468 659 Y HA 0.249 4.799 4.550 -0.000 0.000 0.268 659 Y C 1.047 176.991 175.900 0.074 0.000 1.177 659 Y CA -0.125 58.036 58.100 0.101 0.000 1.265 659 Y CB -0.062 38.443 38.460 0.075 0.000 1.103 659 Y HN 0.228 nan 8.280 nan 0.000 0.522 660 M N -0.951 118.784 119.600 0.225 0.000 2.939 660 M HA -0.248 4.232 4.480 -0.000 0.000 0.202 660 M C -0.595 175.840 176.300 0.226 0.000 0.592 660 M CA 0.591 55.989 55.300 0.163 0.000 0.749 660 M CB -1.820 30.714 32.600 -0.111 0.000 2.692 660 M HN 0.243 nan 8.290 nan 0.000 0.382 661 D N 1.640 122.147 120.400 0.178 0.000 2.358 661 D HA 0.491 5.131 4.640 -0.000 0.000 0.244 661 D C 0.066 176.333 176.300 -0.055 0.000 1.163 661 D CA 0.471 54.512 54.000 0.067 0.000 0.945 661 D CB 0.687 41.537 40.800 0.084 0.000 1.152 661 D HN 0.354 nan 8.370 nan 0.000 0.451 662 Q N 1.390 121.048 119.800 -0.236 0.000 2.290 662 Q HA 0.313 4.653 4.340 -0.000 0.000 0.269 662 Q C -0.397 175.297 176.000 -0.511 0.000 1.016 662 Q CA -0.955 54.508 55.803 -0.567 0.000 0.754 662 Q CB 1.683 29.826 28.738 -0.991 0.000 1.247 662 Q HN 0.458 nan 8.270 nan 0.000 0.451 663 N N 0.411 118.900 118.700 -0.351 0.000 2.938 663 N HA 0.333 5.073 4.740 -0.000 0.000 0.335 663 N C 0.938 176.353 175.510 -0.159 0.000 1.358 663 N CA -0.209 52.722 53.050 -0.198 0.000 0.812 663 N CB -0.265 38.205 38.487 -0.027 0.000 1.233 663 N HN 0.447 nan 8.380 nan 0.000 0.593 664 G N -0.541 108.350 108.800 0.153 0.000 2.418 664 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.217 664 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.217 664 G C 1.400 176.468 174.900 0.279 0.000 1.158 664 G CA 1.702 47.044 45.100 0.405 0.000 0.771 664 G HN 0.800 nan 8.290 nan 0.000 0.545 665 A N 0.101 123.002 122.820 0.135 0.000 1.883 665 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 665 A C 2.183 179.709 177.584 -0.096 0.000 1.186 665 A CA 1.799 53.850 52.037 0.023 0.000 0.624 665 A CB -0.812 18.197 19.000 0.015 0.000 0.822 665 A HN 0.463 nan 8.150 nan 0.000 0.444 666 Y N -0.821 119.365 120.300 -0.189 0.000 2.053 666 Y HA -0.321 4.229 4.550 -0.000 0.000 0.277 666 Y C 2.327 178.114 175.900 -0.189 0.000 1.159 666 Y CA 2.468 60.425 58.100 -0.237 0.000 1.125 666 Y CB -0.464 37.801 38.460 -0.324 0.000 0.969 666 Y HN 0.404 nan 8.280 nan 0.000 0.492 667 Y N -0.461 119.919 120.300 0.133 0.000 2.293 667 Y HA -0.050 4.500 4.550 -0.000 0.000 0.291 667 Y C 2.625 178.302 175.900 -0.372 0.000 1.137 667 Y CA 0.783 58.903 58.100 0.034 0.000 1.202 667 Y CB -1.348 37.275 38.460 0.272 0.000 0.990 667 Y HN 0.199 nan 8.280 nan 0.000 0.537 668 G N -0.445 108.064 108.800 -0.485 0.000 2.418 668 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.217 668 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.217 668 G C 1.954 176.526 174.900 -0.548 0.000 1.158 668 G CA 1.057 45.568 45.100 -0.982 0.000 0.771 668 G HN 0.462 nan 8.290 nan 0.000 0.545 669 A N 0.781 123.313 122.820 -0.481 0.000 1.898 669 A HA 0.006 4.326 4.320 -0.000 0.000 0.216 669 A C 2.205 179.396 177.584 -0.655 0.000 1.181 669 A CA 2.126 53.771 52.037 -0.653 0.000 0.620 669 A CB -0.439 18.096 19.000 -0.774 0.000 0.819 669 A HN 0.409 nan 8.150 nan 0.000 0.442 670 K N -0.178 119.906 120.400 -0.527 0.000 2.026 670 K HA -0.243 4.077 4.320 -0.000 0.000 0.208 670 K C 2.131 178.553 176.600 -0.297 0.000 1.048 670 K CA 1.944 57.999 56.287 -0.387 0.000 0.929 670 K CB -0.150 32.208 32.500 -0.236 0.000 0.713 670 K HN 0.252 nan 8.250 nan 0.000 0.439 671 K N 0.831 121.079 120.400 -0.253 0.000 2.032 671 K HA -0.097 4.223 4.320 -0.000 0.000 0.209 671 K C 1.787 178.176 176.600 -0.352 0.000 1.048 671 K CA 1.826 58.017 56.287 -0.159 0.000 0.927 671 K CB -0.653 31.804 32.500 -0.071 0.000 0.712 671 K HN 0.260 nan 8.250 nan 0.000 0.441 672 A N 0.575 123.152 122.820 -0.405 0.000 1.972 672 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 672 A C 1.446 178.649 177.584 -0.634 0.000 1.169 672 A CA 1.680 53.441 52.037 -0.459 0.000 0.635 672 A CB -0.398 18.482 19.000 -0.201 0.000 0.810 672 A HN 0.458 nan 8.150 nan 0.000 0.446 673 N N 0.453 118.828 118.700 -0.541 0.000 2.279 673 N HA 0.075 4.815 4.740 -0.000 0.000 0.226 673 N C -0.581 174.746 175.510 -0.305 0.000 1.126 673 N CA -0.011 52.789 53.050 -0.416 0.000 0.846 673 N CB 0.325 38.528 38.487 -0.473 0.000 1.050 673 N HN 0.611 nan 8.380 nan 0.000 0.502 674 E N 1.464 121.466 120.200 -0.330 0.000 2.415 674 E HA -0.017 4.332 4.350 -0.000 0.000 0.262 674 E C -1.210 175.363 176.600 -0.044 0.000 1.038 674 E CA -1.323 55.003 56.400 -0.123 0.000 0.921 674 E CB 0.931 30.641 29.700 0.017 0.000 0.950 674 E HN 0.137 nan 8.360 nan 0.000 0.438 675 P HA -0.113 nan 4.420 nan 0.000 0.218 675 P C -0.068 177.256 177.300 0.040 0.000 1.149 675 P CA 0.955 64.054 63.100 -0.001 0.000 0.817 675 P CB 0.388 32.082 31.700 -0.010 0.000 0.785 676 L N -0.282 120.984 121.223 0.071 0.000 2.457 676 L HA 0.506 4.846 4.340 -0.000 0.000 0.266 676 L C -1.338 175.625 176.870 0.154 0.000 0.979 676 L CA -1.097 53.798 54.840 0.091 0.000 0.857 676 L CB 1.070 43.162 42.059 0.055 0.000 1.213 676 L HN -0.094 nan 8.230 nan 0.000 0.418 677 H N 3.752 122.847 119.070 0.042 0.000 2.806 677 H HA 0.653 5.209 4.556 -0.000 0.000 0.367 677 H C -1.524 173.852 175.328 0.080 0.000 1.136 677 H CA -0.514 55.569 56.048 0.058 0.000 1.178 677 H CB 1.913 31.705 29.762 0.051 0.000 1.718 677 H HN 0.620 nan 8.280 nan 0.000 0.540 678 I N 4.648 124.922 120.570 -0.493 0.000 2.441 678 I HA 0.348 4.518 4.170 -0.000 0.000 0.295 678 I C -1.200 174.661 176.117 -0.428 0.000 0.994 678 I CA -0.332 60.779 61.300 -0.315 0.000 1.144 678 I CB 0.931 38.870 38.000 -0.102 0.000 1.314 678 I HN 0.784 nan 8.210 nan 0.000 0.445 679 Q N 5.930 125.667 119.800 -0.105 0.000 2.456 679 Q HA 0.351 4.691 4.340 -0.000 0.000 0.284 679 Q C -1.938 174.100 176.000 0.064 0.000 1.061 679 Q CA -0.922 54.959 55.803 0.128 0.000 0.799 679 Q CB 2.406 31.310 28.738 0.277 0.000 1.445 679 Q HN 0.647 nan 8.270 nan 0.000 0.411 680 Y N 0.694 120.824 120.300 -0.284 0.000 2.335 680 Y HA 0.436 4.986 4.550 -0.000 0.000 0.338 680 Y C -1.024 174.562 175.900 -0.524 0.000 0.977 680 Y CA -0.499 57.227 58.100 -0.623 0.000 1.114 680 Y CB 2.076 39.728 38.460 -1.346 0.000 1.182 680 Y HN 0.721 nan 8.280 nan 0.000 0.463 681 S N 5.596 120.767 115.700 -0.882 0.000 2.448 681 S HA 0.072 4.542 4.470 -0.000 0.000 0.279 681 S C 0.537 174.460 174.600 -1.128 0.000 1.195 681 S CA -0.340 57.347 58.200 -0.854 0.000 1.051 681 S CB 0.113 62.948 63.200 -0.608 0.000 0.948 681 S HN 0.885 nan 8.310 nan 0.000 0.493 682 H N 2.070 120.595 119.070 -0.909 0.000 2.456 682 H HA -0.121 4.435 4.556 -0.000 0.000 0.296 682 H C 1.916 176.998 175.328 -0.410 0.000 1.079 682 H CA 1.856 57.640 56.048 -0.439 0.000 1.322 682 H CB 0.221 29.922 29.762 -0.101 0.000 1.388 682 H HN 0.671 nan 8.280 nan 0.000 0.538 683 D N 0.228 120.324 120.400 -0.507 0.000 2.106 683 D HA -0.131 4.509 4.640 -0.000 0.000 0.203 683 D C 1.332 177.501 176.300 -0.218 0.000 0.977 683 D CA 1.358 55.214 54.000 -0.239 0.000 0.844 683 D CB -0.484 40.239 40.800 -0.128 0.000 1.002 683 D HN 0.486 nan 8.370 nan 0.000 0.461 684 N N -0.610 117.908 118.700 -0.303 0.000 2.177 684 N HA 0.075 4.815 4.740 -0.000 0.000 0.218 684 N C -0.010 175.321 175.510 -0.298 0.000 1.182 684 N CA -0.234 52.679 53.050 -0.228 0.000 0.882 684 N CB 0.060 38.450 38.487 -0.162 0.000 1.052 684 N HN 0.167 nan 8.380 nan 0.000 0.519 685 R N -0.674 119.515 120.500 -0.518 0.000 3.953 685 R HA -0.173 4.167 4.340 -0.000 0.000 0.340 685 R C -0.564 175.403 176.300 -0.556 0.000 1.195 685 R CA 0.969 56.640 56.100 -0.715 0.000 0.929 685 R CB -2.964 27.198 30.300 -0.229 0.000 1.402 685 R HN 0.566 nan 8.270 nan 0.000 0.540 686 S N -0.251 115.185 115.700 -0.440 0.000 2.562 686 S HA 0.426 4.895 4.470 -0.000 0.000 0.281 686 S C 0.559 174.998 174.600 -0.268 0.000 1.333 686 S CA -0.803 57.241 58.200 -0.260 0.000 1.052 686 S CB 2.024 65.122 63.200 -0.169 0.000 0.884 686 S HN 0.111 nan 8.310 nan 0.000 0.506 687 V N 3.493 123.338 119.914 -0.115 0.000 2.370 687 V HA 0.474 4.594 4.120 -0.000 0.000 0.279 687 V C -0.266 175.813 176.094 -0.024 0.000 1.029 687 V CA -0.577 61.697 62.300 -0.044 0.000 0.870 687 V CB 1.154 32.997 31.823 0.034 0.000 0.984 687 V HN 0.836 nan 8.190 nan 0.000 0.451 688 V N 5.712 125.619 119.914 -0.010 0.000 2.588 688 V HA 0.494 4.614 4.120 -0.000 0.000 0.304 688 V C -0.270 175.842 176.094 0.030 0.000 1.042 688 V CA -0.663 61.647 62.300 0.018 0.000 0.877 688 V CB 2.308 34.156 31.823 0.040 0.000 0.996 688 V HN 0.582 nan 8.190 nan 0.000 0.425 689 V N 5.626 125.562 119.914 0.036 0.000 2.427 689 V HA 0.522 4.642 4.120 -0.000 0.000 0.286 689 V C -0.250 175.891 176.094 0.079 0.000 1.034 689 V CA -0.476 61.851 62.300 0.044 0.000 0.893 689 V CB 1.653 33.495 31.823 0.033 0.000 0.982 689 V HN 0.569 nan 8.190 nan 0.000 0.452 690 I N 3.932 124.570 120.570 0.114 0.000 2.433 690 I HA 0.418 4.588 4.170 -0.000 0.000 0.292 690 I C -0.395 175.792 176.117 0.116 0.000 1.001 690 I CA -0.543 60.837 61.300 0.134 0.000 1.119 690 I CB 1.860 39.968 38.000 0.179 0.000 1.289 690 I HN 0.611 nan 8.210 nan 0.000 0.438 691 N N 5.518 124.274 118.700 0.093 0.000 2.511 691 N HA 0.215 4.955 4.740 -0.000 0.000 0.249 691 N C 0.460 176.008 175.510 0.064 0.000 0.971 691 N CA -0.286 52.806 53.050 0.070 0.000 0.938 691 N CB 1.239 39.759 38.487 0.055 0.000 1.131 691 N HN 0.341 nan 8.380 nan 0.000 0.505 692 Q N 0.584 120.411 119.800 0.045 0.000 2.424 692 Q HA 0.025 4.365 4.340 -0.000 0.000 0.204 692 Q C 0.490 176.496 176.000 0.010 0.000 0.933 692 Q CA 0.364 56.180 55.803 0.022 0.000 0.929 692 Q CB -0.286 28.447 28.738 -0.009 0.000 1.037 692 Q HN 0.787 nan 8.270 nan 0.000 0.511 693 T N -1.206 113.353 114.554 0.007 0.000 2.766 693 T HA 0.116 4.466 4.350 -0.000 0.000 0.295 693 T C 1.298 175.988 174.700 -0.016 0.000 1.024 693 T CA 0.130 62.222 62.100 -0.014 0.000 1.018 693 T CB 0.967 69.824 68.868 -0.017 0.000 1.002 693 T HN 0.142 nan 8.240 nan 0.000 0.532 694 S N 0.234 115.905 115.700 -0.049 0.000 2.603 694 S HA 0.116 4.586 4.470 -0.000 0.000 0.220 694 S C 0.377 174.944 174.600 -0.056 0.000 0.967 694 S CA -0.592 57.570 58.200 -0.063 0.000 0.920 694 S CB -0.498 62.619 63.200 -0.139 0.000 0.773 694 S HN 0.687 nan 8.310 nan 0.000 0.529 695 N N 1.668 120.343 118.700 -0.041 0.000 2.314 695 N HA 0.584 5.324 4.740 -0.000 0.000 0.304 695 N C -0.650 174.855 175.510 -0.008 0.000 1.073 695 N CA -0.308 52.724 53.050 -0.030 0.000 0.822 695 N CB 1.828 40.291 38.487 -0.039 0.000 1.280 695 N HN 0.290 nan 8.380 nan 0.000 0.489 696 A N 1.211 124.030 122.820 -0.001 0.000 2.498 696 A HA 0.357 4.677 4.320 -0.000 0.000 0.239 696 A C 0.035 177.622 177.584 0.005 0.000 1.068 696 A CA 0.042 52.084 52.037 0.008 0.000 0.766 696 A CB 0.222 19.227 19.000 0.009 0.000 1.003 696 A HN 0.407 nan 8.150 nan 0.000 0.497 697 V N 2.051 121.971 119.914 0.010 0.000 2.656 697 V HA 0.686 4.806 4.120 -0.000 0.000 0.307 697 V C 0.252 176.352 176.094 0.010 0.000 1.051 697 V CA 0.156 62.462 62.300 0.009 0.000 0.893 697 V CB 1.885 33.715 31.823 0.012 0.000 0.999 697 V HN 1.323 nan 8.190 nan 0.000 0.426 698 S N 1.681 117.385 115.700 0.007 0.000 2.697 698 S HA 0.826 5.296 4.470 -0.000 0.000 0.289 698 S C 0.526 175.130 174.600 0.006 0.000 1.149 698 S CA -0.059 58.145 58.200 0.007 0.000 0.850 698 S CB 1.751 64.954 63.200 0.005 0.000 1.151 698 S HN 2.414 nan 8.310 nan 0.000 0.491 699 G N 0.117 108.920 108.800 0.005 0.000 2.246 699 G HA2 -0.181 3.778 3.960 -0.000 0.000 0.273 699 G HA3 -0.181 3.778 3.960 -0.000 0.000 0.273 699 G C -0.352 174.551 174.900 0.005 0.000 1.055 699 G CA 0.401 45.503 45.100 0.003 0.000 0.851 699 G HN 0.804 nan 8.290 nan 0.000 0.500 700 L N 0.493 121.720 121.223 0.007 0.000 2.325 700 L HA 0.691 5.030 4.340 -0.000 0.000 0.279 700 L C 0.886 177.760 176.870 0.006 0.000 1.054 700 L CA -0.211 54.634 54.840 0.008 0.000 0.804 700 L CB 1.934 44.000 42.059 0.013 0.000 1.200 700 L HN 0.304 nan 8.230 nan 0.000 0.436 701 T N 1.414 115.971 114.554 0.005 0.000 2.779 701 T HA 0.711 5.061 4.350 -0.000 0.000 0.280 701 T C -0.461 174.241 174.700 0.003 0.000 0.987 701 T CA -0.607 61.495 62.100 0.002 0.000 0.966 701 T CB 1.403 70.269 68.868 -0.003 0.000 0.933 701 T HN 0.661 nan 8.240 nan 0.000 0.442 702 A N 4.058 126.880 122.820 0.003 0.000 2.260 702 A HA 0.654 4.974 4.320 -0.000 0.000 0.314 702 A C 0.336 177.919 177.584 -0.001 0.000 1.257 702 A CA -0.633 51.407 52.037 0.005 0.000 0.871 702 A CB 0.583 19.589 19.000 0.011 0.000 1.166 702 A HN 0.857 nan 8.150 nan 0.000 0.522 703 T N 2.059 116.610 114.554 -0.005 0.000 2.779 703 T HA 0.590 4.940 4.350 -0.000 0.000 0.280 703 T C -0.041 174.653 174.700 -0.010 0.000 0.987 703 T CA -0.127 61.960 62.100 -0.022 0.000 0.966 703 T CB 1.166 70.014 68.868 -0.033 0.000 0.933 703 T HN 0.834 nan 8.240 nan 0.000 0.442 704 T N 3.273 117.822 114.554 -0.009 0.000 2.848 704 T HA 0.618 4.968 4.350 -0.000 0.000 0.285 704 T C -1.194 173.505 174.700 -0.001 0.000 0.995 704 T CA -0.826 61.296 62.100 0.036 0.000 0.970 704 T CB 0.636 69.578 68.868 0.124 0.000 0.976 704 T HN 0.450 nan 8.240 nan 0.000 0.441 705 K N 4.092 124.478 120.400 -0.023 0.000 2.427 705 K HA 0.529 4.848 4.320 -0.000 0.000 0.252 705 K C -0.952 175.593 176.600 -0.091 0.000 0.931 705 K CA -0.881 55.316 56.287 -0.151 0.000 0.793 705 K CB 2.452 34.747 32.500 -0.341 0.000 1.211 705 K HN 0.548 nan 8.250 nan 0.000 0.426 706 L N 3.432 124.593 121.223 -0.103 0.000 2.295 706 L HA 0.480 4.820 4.340 -0.000 0.000 0.285 706 L C -0.982 175.769 176.870 -0.199 0.000 1.035 706 L CA -0.834 53.998 54.840 -0.014 0.000 0.806 706 L CB 0.469 42.546 42.059 0.030 0.000 1.214 706 L HN 0.529 nan 8.230 nan 0.000 0.426 707 Y N 1.153 121.566 120.300 0.188 0.000 2.485 707 Y HA 0.359 4.909 4.550 -0.000 0.000 0.345 707 Y C 0.281 176.298 175.900 0.196 0.000 0.998 707 Y CA -0.994 57.227 58.100 0.202 0.000 1.059 707 Y CB 1.609 40.273 38.460 0.340 0.000 1.234 707 Y HN 0.502 nan 8.280 nan 0.000 0.461 708 N N 1.168 120.043 118.700 0.291 0.000 2.445 708 N HA 0.246 4.986 4.740 -0.000 0.000 0.264 708 N C 0.859 176.482 175.510 0.189 0.000 1.227 708 N CA -0.285 52.887 53.050 0.204 0.000 0.963 708 N CB 0.798 39.358 38.487 0.122 0.000 1.188 708 N HN 0.687 nan 8.380 nan 0.000 0.491 709 L N 0.213 121.507 121.223 0.118 0.000 2.456 709 L HA -0.134 4.206 4.340 -0.000 0.000 0.224 709 L C 1.096 177.990 176.870 0.040 0.000 1.148 709 L CA 0.899 55.768 54.840 0.048 0.000 0.825 709 L CB -0.431 41.635 42.059 0.013 0.000 0.937 709 L HN 0.578 nan 8.230 nan 0.000 0.450 710 D N -0.616 119.825 120.400 0.068 0.000 2.355 710 D HA -0.010 4.630 4.640 -0.000 0.000 0.218 710 D C 1.490 177.836 176.300 0.077 0.000 1.004 710 D CA 0.894 54.928 54.000 0.057 0.000 0.880 710 D CB 0.196 41.028 40.800 0.054 0.000 0.911 710 D HN 0.230 nan 8.370 nan 0.000 0.528 711 G N -0.778 108.100 108.800 0.130 0.000 2.176 711 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.232 711 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.232 711 G C 0.342 175.448 174.900 0.342 0.000 0.986 711 G CA 0.134 45.352 45.100 0.197 0.000 0.643 711 G HN 0.432 nan 8.290 nan 0.000 0.522 712 T N 1.479 116.184 114.554 0.252 0.000 2.853 712 T HA 0.388 4.738 4.350 -0.000 0.000 0.298 712 T C 0.348 175.183 174.700 0.225 0.000 0.978 712 T CA 0.454 62.676 62.100 0.203 0.000 1.152 712 T CB 1.579 70.513 68.868 0.109 0.000 0.914 712 T HN 0.447 nan 8.240 nan 0.000 0.539 713 E N 2.256 122.530 120.200 0.123 0.000 2.289 713 E HA 0.112 4.462 4.350 -0.000 0.000 0.278 713 E C 0.373 176.893 176.600 -0.134 0.000 1.032 713 E CA -0.594 55.690 56.400 -0.193 0.000 0.854 713 E CB 0.430 29.968 29.700 -0.271 0.000 1.046 713 E HN 0.368 nan 8.360 nan 0.000 0.409 714 K N 3.139 123.438 120.400 -0.168 0.000 2.435 714 K HA 0.079 4.399 4.320 -0.000 0.000 0.199 714 K C -0.603 175.985 176.600 -0.020 0.000 1.153 714 K CA 0.098 56.339 56.287 -0.077 0.000 0.974 714 K CB 0.677 33.134 32.500 -0.072 0.000 0.997 714 K HN 0.529 nan 8.250 nan 0.000 0.547 715 Y N -0.314 119.860 120.300 -0.211 0.000 2.544 715 Y HA 0.478 5.028 4.550 -0.000 0.000 0.342 715 Y C -1.534 174.249 175.900 -0.195 0.000 1.062 715 Y CA -0.957 57.042 58.100 -0.168 0.000 1.023 715 Y CB 2.130 40.507 38.460 -0.138 0.000 1.308 715 Y HN -0.160 nan 8.280 nan 0.000 0.457 716 S N 4.072 119.194 115.700 -0.965 0.000 2.546 716 S HA 0.598 5.068 4.470 -0.000 0.000 0.272 716 S C -2.163 171.924 174.600 -0.855 0.000 1.140 716 S CA -0.601 57.180 58.200 -0.697 0.000 0.920 716 S CB 1.128 64.094 63.200 -0.389 0.000 1.083 716 S HN 0.819 nan 8.310 nan 0.000 0.476 717 N N 1.250 119.655 118.700 -0.492 0.000 2.324 717 N HA 0.567 5.307 4.740 -0.000 0.000 0.285 717 N C -1.827 173.603 175.510 -0.133 0.000 1.076 717 N CA -0.271 52.614 53.050 -0.274 0.000 0.864 717 N CB 2.180 40.600 38.487 -0.111 0.000 1.632 717 N HN 0.424 nan 8.380 nan 0.000 0.478 718 T N 2.068 116.564 114.554 -0.098 0.000 2.809 718 T HA 0.389 4.739 4.350 -0.000 0.000 0.284 718 T C -0.986 173.693 174.700 -0.035 0.000 0.992 718 T CA -0.404 61.661 62.100 -0.058 0.000 0.957 718 T CB 0.922 69.754 68.868 -0.060 0.000 0.942 718 T HN 0.392 nan 8.240 nan 0.000 0.439 719 K N 3.102 123.491 120.400 -0.018 0.000 2.394 719 K HA 0.564 4.884 4.320 -0.000 0.000 0.260 719 K C -0.005 176.592 176.600 -0.006 0.000 0.967 719 K CA -0.504 55.778 56.287 -0.008 0.000 0.855 719 K CB 0.690 33.191 32.500 0.003 0.000 1.101 719 K HN 0.686 nan 8.250 nan 0.000 0.433 720 T N 0.177 114.727 114.554 -0.007 0.000 2.952 720 T HA 0.605 4.955 4.350 -0.000 0.000 0.286 720 T C 0.772 175.471 174.700 -0.002 0.000 1.024 720 T CA -0.220 61.877 62.100 -0.005 0.000 1.029 720 T CB 1.446 70.309 68.868 -0.008 0.000 1.094 720 T HN 1.010 nan 8.240 nan 0.000 0.515 721 G N 0.607 109.407 108.800 -0.001 0.000 2.221 721 G HA2 -0.197 3.762 3.960 -0.000 0.000 0.265 721 G HA3 -0.197 3.762 3.960 -0.000 0.000 0.265 721 G C -0.086 174.816 174.900 0.003 0.000 1.041 721 G CA 0.121 45.222 45.100 0.001 0.000 0.807 721 G HN 0.887 nan 8.290 nan 0.000 0.502 722 L N 1.425 122.651 121.223 0.005 0.000 2.367 722 L HA 0.495 4.835 4.340 -0.000 0.000 0.275 722 L C 0.999 177.875 176.870 0.010 0.000 1.129 722 L CA 0.236 55.081 54.840 0.008 0.000 0.839 722 L CB 1.145 43.210 42.059 0.011 0.000 1.133 722 L HN 0.438 nan 8.230 nan 0.000 0.453 723 S N 2.878 118.585 115.700 0.011 0.000 2.566 723 S HA 0.777 5.247 4.470 -0.000 0.000 0.298 723 S C -0.692 173.919 174.600 0.018 0.000 1.083 723 S CA -0.856 57.352 58.200 0.013 0.000 0.978 723 S CB 2.414 65.620 63.200 0.010 0.000 1.073 723 S HN 0.381 nan 8.310 nan 0.000 0.491 724 V N 1.437 121.365 119.914 0.022 0.000 2.733 724 V HA 0.773 4.893 4.120 -0.000 0.000 0.306 724 V C 0.419 176.533 176.094 0.032 0.000 1.084 724 V CA -0.022 62.297 62.300 0.031 0.000 0.905 724 V CB 1.414 33.260 31.823 0.039 0.000 1.010 724 V HN 1.313 nan 8.190 nan 0.000 0.424 725 G N 4.049 112.871 108.800 0.036 0.000 2.684 725 G HA2 0.600 4.560 3.960 -0.000 0.000 0.255 725 G HA3 0.600 4.560 3.960 -0.000 0.000 0.255 725 G C 0.279 175.208 174.900 0.048 0.000 1.219 725 G CA 0.011 45.133 45.100 0.037 0.000 0.901 725 G HN 1.592 nan 8.290 nan 0.000 0.548 726 A N -1.051 121.797 122.820 0.047 0.000 2.296 726 A HA 0.575 4.895 4.320 -0.000 0.000 0.264 726 A C 0.966 178.600 177.584 0.084 0.000 1.097 726 A CA -0.348 51.719 52.037 0.050 0.000 0.811 726 A CB 0.004 19.022 19.000 0.030 0.000 1.072 726 A HN 1.476 nan 8.150 nan 0.000 0.495 727 L N -0.533 120.736 121.223 0.077 0.000 3.660 727 L HA -0.298 4.042 4.340 -0.000 0.000 0.440 727 L C 1.132 178.105 176.870 0.172 0.000 1.262 727 L CA 0.699 55.602 54.840 0.105 0.000 0.837 727 L CB -2.112 40.020 42.059 0.123 0.000 1.689 727 L HN 1.928 nan 8.230 nan 0.000 0.890 728 G N -2.223 106.668 108.800 0.151 0.000 2.184 728 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.206 728 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.206 728 G C 0.413 175.478 174.900 0.275 0.000 0.995 728 G CA -0.042 45.188 45.100 0.216 0.000 0.651 728 G HN 1.249 nan 8.290 nan 0.000 0.511 729 A N 0.188 123.120 122.820 0.186 0.000 2.386 729 A HA 0.687 5.007 4.320 -0.000 0.000 0.246 729 A C 0.615 178.264 177.584 0.109 0.000 1.089 729 A CA 1.129 53.242 52.037 0.126 0.000 0.790 729 A CB 0.360 19.407 19.000 0.079 0.000 1.042 729 A HN 1.362 nan 8.150 nan 0.000 0.497 730 K N -0.846 119.604 120.400 0.083 0.000 2.466 730 K HA 0.836 5.156 4.320 -0.000 0.000 0.260 730 K C -1.023 175.607 176.600 0.051 0.000 1.011 730 K CA -0.505 55.828 56.287 0.077 0.000 0.871 730 K CB 2.210 34.763 32.500 0.088 0.000 1.404 730 K HN 1.197 nan 8.250 nan 0.000 0.450 731 A N 0.744 123.591 122.820 0.044 0.000 2.520 731 A HA 0.500 4.820 4.320 -0.000 0.000 0.298 731 A C -1.156 176.442 177.584 0.022 0.000 1.051 731 A CA -0.789 51.265 52.037 0.028 0.000 0.690 731 A CB 1.888 20.903 19.000 0.024 0.000 1.281 731 A HN 0.595 nan 8.150 nan 0.000 0.402 732 T N 2.242 116.804 114.554 0.012 0.000 2.761 732 T HA 0.449 4.798 4.350 -0.000 0.000 0.296 732 T C 1.453 176.156 174.700 0.005 0.000 0.934 732 T CA 0.452 62.554 62.100 0.003 0.000 1.091 732 T CB 1.328 70.191 68.868 -0.008 0.000 0.896 732 T HN 1.020 nan 8.240 nan 0.000 0.515 733 A N 4.070 126.894 122.820 0.007 0.000 1.855 733 A HA 0.428 4.748 4.320 -0.000 0.000 0.213 733 A C 0.908 178.503 177.584 0.018 0.000 1.195 733 A CA 0.660 52.705 52.037 0.013 0.000 0.610 733 A CB 0.175 19.186 19.000 0.018 0.000 0.837 733 A HN 0.629 nan 8.150 nan 0.000 0.444 734 V N -1.920 118.006 119.914 0.020 0.000 3.225 734 V HA 0.439 4.559 4.120 -0.000 0.000 0.293 734 V C -1.477 174.617 176.094 0.000 0.000 1.405 734 V CA -0.490 61.828 62.300 0.030 0.000 1.038 734 V CB 2.074 33.948 31.823 0.085 0.000 1.123 734 V HN 0.194 nan 8.190 nan 0.000 0.447 735 T N 3.922 118.466 114.554 -0.017 0.000 2.743 735 T HA 0.441 4.791 4.350 -0.000 0.000 0.292 735 T C -0.296 174.355 174.700 -0.081 0.000 0.972 735 T CA -0.179 61.882 62.100 -0.065 0.000 0.967 735 T CB 1.048 69.870 68.868 -0.076 0.000 0.926 735 T HN 0.625 nan 8.240 nan 0.000 0.459 736 V N 8.308 128.146 119.914 -0.127 0.000 2.493 736 V HA 0.104 4.224 4.120 -0.000 0.000 0.292 736 V C -1.282 174.648 176.094 -0.274 0.000 1.016 736 V CA -1.138 60.971 62.300 -0.318 0.000 1.097 736 V CB -0.321 31.341 31.823 -0.267 0.000 0.947 736 V HN 0.718 nan 8.190 nan 0.000 0.479 737 P HA 0.217 nan 4.420 nan 0.000 0.275 737 P C -0.438 176.750 177.300 -0.186 0.000 1.270 737 P CA -0.479 62.514 63.100 -0.179 0.000 0.791 737 P CB 0.691 32.327 31.700 -0.107 0.000 1.089 738 A N 0.441 123.192 122.820 -0.114 0.000 2.492 738 A HA 0.312 4.632 4.320 -0.000 0.000 0.254 738 A C 0.073 177.588 177.584 -0.115 0.000 1.091 738 A CA -0.040 51.937 52.037 -0.101 0.000 0.768 738 A CB -0.700 18.262 19.000 -0.064 0.000 1.028 738 A HN 0.309 nan 8.150 nan 0.000 0.498 739 V N 3.445 123.270 119.914 -0.148 0.000 2.459 739 V HA 0.332 4.452 4.120 -0.000 0.000 0.295 739 V C 0.530 176.552 176.094 -0.120 0.000 1.029 739 V CA -0.447 61.773 62.300 -0.133 0.000 0.874 739 V CB 1.782 33.497 31.823 -0.180 0.000 0.985 739 V HN 0.957 nan 8.190 nan 0.000 0.438 740 S N 2.614 118.268 115.700 -0.076 0.000 2.601 740 S HA 0.545 5.014 4.470 -0.000 0.000 0.271 740 S C 1.118 175.676 174.600 -0.071 0.000 1.305 740 S CA 0.431 58.593 58.200 -0.064 0.000 1.022 740 S CB 1.217 64.394 63.200 -0.038 0.000 0.940 740 S HN 1.633 nan 8.310 nan 0.000 0.525 741 G N 0.926 109.690 108.800 -0.060 0.000 2.143 741 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.248 741 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.248 741 G C -0.112 174.749 174.900 -0.064 0.000 0.991 741 G CA -0.206 44.865 45.100 -0.047 0.000 0.689 741 G HN 0.551 nan 8.290 nan 0.000 0.522 742 L N 1.829 122.981 121.223 -0.118 0.000 2.380 742 L HA 0.426 4.766 4.340 -0.000 0.000 0.273 742 L C 1.553 178.396 176.870 -0.044 0.000 1.138 742 L CA 0.006 54.746 54.840 -0.165 0.000 0.832 742 L CB 0.998 42.789 42.059 -0.448 0.000 1.124 742 L HN 0.454 nan 8.230 nan 0.000 0.454 743 S N 0.801 116.519 115.700 0.029 0.000 2.573 743 S HA 0.006 4.476 4.470 -0.000 0.000 0.277 743 S C 1.179 175.863 174.600 0.140 0.000 1.346 743 S CA -0.431 57.817 58.200 0.081 0.000 1.034 743 S CB 0.965 64.223 63.200 0.097 0.000 0.879 743 S HN 0.687 nan 8.310 nan 0.000 0.528 744 T N 1.799 116.417 114.554 0.108 0.000 2.665 744 T HA -0.065 4.285 4.350 -0.000 0.000 0.268 744 T C 0.748 175.537 174.700 0.148 0.000 1.035 744 T CA 1.779 63.949 62.100 0.116 0.000 1.151 744 T CB -0.509 68.400 68.868 0.069 0.000 0.862 744 T HN 0.803 nan 8.240 nan 0.000 0.438 745 T N 2.153 116.773 114.554 0.110 0.000 2.794 745 T HA 0.583 4.933 4.350 -0.000 0.000 0.280 745 T C -0.793 173.990 174.700 0.140 0.000 0.987 745 T CA -0.781 61.356 62.100 0.063 0.000 0.993 745 T CB 0.780 69.644 68.868 -0.007 0.000 0.939 745 T HN 0.444 nan 8.240 nan 0.000 0.449 746 Y N 0.845 121.158 120.300 0.021 0.000 2.669 746 Y HA 0.832 5.381 4.550 -0.000 0.000 0.335 746 Y C -1.800 174.137 175.900 0.063 0.000 1.116 746 Y CA -1.875 56.249 58.100 0.039 0.000 1.081 746 Y CB 1.119 39.602 38.460 0.038 0.000 1.297 746 Y HN 0.415 nan 8.280 nan 0.000 0.484 747 L N 2.241 123.626 121.223 0.269 0.000 2.329 747 L HA 0.870 5.210 4.340 -0.000 0.000 0.279 747 L C -0.525 176.537 176.870 0.320 0.000 1.014 747 L CA -1.289 53.699 54.840 0.247 0.000 0.814 747 L CB 2.005 44.280 42.059 0.361 0.000 1.257 747 L HN 0.910 nan 8.230 nan 0.000 0.424 748 A N 3.365 126.291 122.820 0.177 0.000 2.303 748 A HA 0.560 4.880 4.320 -0.000 0.000 0.320 748 A C -0.715 176.991 177.584 0.204 0.000 1.192 748 A CA -0.572 51.525 52.037 0.100 0.000 0.821 748 A CB 1.026 19.868 19.000 -0.264 0.000 1.188 748 A HN 0.646 nan 8.150 nan 0.000 0.492 749 K N 3.493 123.979 120.400 0.144 0.000 2.425 749 K HA 0.292 4.612 4.320 -0.000 0.000 0.259 749 K C -1.172 175.460 176.600 0.052 0.000 0.978 749 K CA -0.246 56.086 56.287 0.076 0.000 0.883 749 K CB 0.554 32.901 32.500 -0.256 0.000 1.110 749 K HN 0.883 nan 8.250 nan 0.000 0.436 750 N N 2.756 121.526 118.700 0.117 0.000 2.400 750 N HA 0.364 5.104 4.740 -0.000 0.000 0.288 750 N C -1.408 174.141 175.510 0.065 0.000 1.024 750 N CA -0.792 52.314 53.050 0.092 0.000 0.894 750 N CB 2.182 40.754 38.487 0.142 0.000 1.173 750 N HN 0.111 nan 8.380 nan 0.000 0.487 751 V N 2.755 122.688 119.914 0.031 0.000 2.623 751 V HA 0.340 4.460 4.120 -0.000 0.000 0.304 751 V C -0.876 175.229 176.094 0.017 0.000 1.054 751 V CA -0.730 61.586 62.300 0.027 0.000 0.882 751 V CB 1.986 33.817 31.823 0.015 0.000 1.002 751 V HN 0.457 nan 8.190 nan 0.000 0.424 752 L N 5.202 126.437 121.223 0.020 0.000 2.296 752 L HA 0.867 5.207 4.340 -0.000 0.000 0.286 752 L C 0.233 177.115 176.870 0.020 0.000 1.023 752 L CA 0.400 55.250 54.840 0.016 0.000 0.812 752 L CB 1.845 43.913 42.059 0.014 0.000 1.223 752 L HN 0.919 nan 8.230 nan 0.000 0.421 753 T N 0.377 114.940 114.554 0.015 0.000 2.887 753 T HA 0.685 5.035 4.350 -0.000 0.000 0.288 753 T C -0.382 174.326 174.700 0.013 0.000 1.021 753 T CA -0.800 61.309 62.100 0.015 0.000 1.000 753 T CB 1.446 70.322 68.868 0.012 0.000 1.034 753 T HN 0.626 nan 8.240 nan 0.000 0.467 754 D N 1.201 121.609 120.400 0.013 0.000 2.478 754 D HA 0.248 4.888 4.640 -0.000 0.000 0.269 754 D C 1.650 177.954 176.300 0.007 0.000 1.232 754 D CA -0.176 53.830 54.000 0.011 0.000 1.059 754 D CB 0.192 40.999 40.800 0.011 0.000 1.104 754 D HN 0.534 nan 8.370 nan 0.000 0.566 755 S N -1.169 114.534 115.700 0.005 0.000 2.419 755 S HA -0.192 4.278 4.470 -0.000 0.000 0.233 755 S C 1.747 176.349 174.600 0.002 0.000 1.016 755 S CA 1.000 59.202 58.200 0.003 0.000 0.974 755 S CB -0.928 62.273 63.200 0.002 0.000 0.786 755 S HN 0.597 nan 8.310 nan 0.000 0.492 756 S N 0.554 116.256 115.700 0.003 0.000 2.603 756 S HA 0.407 4.877 4.470 -0.000 0.000 0.220 756 S C 1.539 176.142 174.600 0.004 0.000 0.967 756 S CA 0.524 58.726 58.200 0.003 0.000 0.920 756 S CB -0.660 62.541 63.200 0.002 0.000 0.773 756 S HN 1.513 nan 8.310 nan 0.000 0.529 757 G N 0.951 109.754 108.800 0.006 0.000 2.141 757 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.242 757 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.242 757 G C -0.114 174.792 174.900 0.010 0.000 0.982 757 G CA 0.238 45.342 45.100 0.007 0.000 0.662 757 G HN 0.765 nan 8.290 nan 0.000 0.527 758 K N 0.996 121.403 120.400 0.011 0.000 2.234 758 K HA 0.427 4.747 4.320 -0.000 0.000 0.282 758 K C 0.448 177.059 176.600 0.019 0.000 1.039 758 K CA -0.503 55.793 56.287 0.015 0.000 0.928 758 K CB 0.476 32.984 32.500 0.014 0.000 1.039 758 K HN 0.293 nan 8.250 nan 0.000 0.470 759 E N 3.971 124.185 120.200 0.024 0.000 2.217 759 E HA 0.018 4.368 4.350 -0.000 0.000 0.279 759 E C 0.465 177.086 176.600 0.035 0.000 1.068 759 E CA -0.406 56.012 56.400 0.030 0.000 0.882 759 E CB 0.721 30.441 29.700 0.034 0.000 1.039 759 E HN 0.555 nan 8.360 nan 0.000 0.418 760 V N 1.059 120.995 119.914 0.037 0.000 3.431 760 V HA 0.264 4.384 4.120 -0.000 0.000 0.253 760 V C 0.541 176.672 176.094 0.062 0.000 1.184 760 V CA 0.213 62.539 62.300 0.043 0.000 1.104 760 V CB 0.796 32.641 31.823 0.037 0.000 0.799 760 V HN 0.383 nan 8.190 nan 0.000 0.462 761 S N 0.499 116.236 115.700 0.062 0.000 2.566 761 S HA 0.651 5.121 4.470 -0.000 0.000 0.273 761 S C -0.951 173.692 174.600 0.071 0.000 1.157 761 S CA -0.744 57.506 58.200 0.083 0.000 0.938 761 S CB 1.898 65.146 63.200 0.080 0.000 1.087 761 S HN 0.694 nan 8.310 nan 0.000 0.474 762 R N 3.260 123.818 120.500 0.097 0.000 2.513 762 R HA 0.591 4.931 4.340 -0.000 0.000 0.301 762 R C -1.760 174.629 176.300 0.149 0.000 0.968 762 R CA -0.553 55.613 56.100 0.109 0.000 0.872 762 R CB 1.088 31.454 30.300 0.109 0.000 1.177 762 R HN 0.569 nan 8.270 nan 0.000 0.444 763 N N 3.485 122.284 118.700 0.165 0.000 2.500 763 N HA 0.270 5.010 4.740 -0.000 0.000 0.291 763 N C -1.857 173.795 175.510 0.236 0.000 1.092 763 N CA -0.335 52.834 53.050 0.199 0.000 0.890 763 N CB 2.246 40.862 38.487 0.215 0.000 1.466 763 N HN 0.309 nan 8.380 nan 0.000 0.507 764 V N 4.366 124.408 119.914 0.214 0.000 2.417 764 V HA 0.479 4.599 4.120 -0.000 0.000 0.291 764 V C -0.809 175.358 176.094 0.121 0.000 1.024 764 V CA -0.534 61.961 62.300 0.325 0.000 0.861 764 V CB 0.834 32.970 31.823 0.523 0.000 0.985 764 V HN 0.471 nan 8.190 nan 0.000 0.436 765 Y N 2.770 123.129 120.300 0.098 0.000 2.341 765 Y HA 0.499 5.049 4.550 -0.000 0.000 0.337 765 Y C -0.077 175.791 175.900 -0.054 0.000 1.014 765 Y CA -0.766 57.229 58.100 -0.174 0.000 1.111 765 Y CB 1.400 39.662 38.460 -0.329 0.000 1.194 765 Y HN 0.788 nan 8.280 nan 0.000 0.462 766 W N 4.362 125.702 121.300 0.067 0.000 2.308 766 W HA 0.753 5.413 4.660 -0.000 0.000 0.311 766 W C -1.858 174.575 176.519 -0.143 0.000 1.088 766 W CA -0.829 56.444 57.345 -0.121 0.000 1.309 766 W CB 0.093 29.453 29.460 -0.165 0.000 1.229 766 W HN 0.209 nan 8.180 nan 0.000 0.427 767 L N 3.265 124.291 121.223 -0.328 0.000 2.301 767 L HA 0.702 5.042 4.340 -0.000 0.000 0.264 767 L C 0.086 176.662 176.870 -0.491 0.000 1.016 767 L CA -1.176 53.352 54.840 -0.520 0.000 0.821 767 L CB 2.128 43.616 42.059 -0.951 0.000 1.346 767 L HN 0.520 nan 8.230 nan 0.000 0.429 768 S N -1.506 114.069 115.700 -0.208 0.000 2.542 768 S HA 0.318 4.788 4.470 -0.000 0.000 0.293 768 S C 0.658 175.382 174.600 0.205 0.000 1.089 768 S CA -0.255 57.955 58.200 0.018 0.000 0.961 768 S CB 1.641 64.853 63.200 0.021 0.000 1.062 768 S HN 0.762 nan 8.310 nan 0.000 0.483 769 T N 0.685 115.399 114.554 0.267 0.000 3.072 769 T HA 0.124 4.474 4.350 -0.000 0.000 0.266 769 T C 0.579 175.347 174.700 0.113 0.000 1.127 769 T CA 0.640 62.859 62.100 0.198 0.000 1.107 769 T CB -0.231 68.714 68.868 0.128 0.000 0.910 769 T HN 0.450 nan 8.240 nan 0.000 0.513 770 K N 1.557 122.014 120.400 0.096 0.000 2.234 770 K HA 0.624 4.943 4.320 -0.000 0.000 0.277 770 K C -0.482 176.158 176.600 0.068 0.000 1.038 770 K CA -0.718 55.612 56.287 0.072 0.000 0.888 770 K CB 1.020 33.560 32.500 0.066 0.000 1.091 770 K HN 0.251 nan 8.250 nan 0.000 0.467 771 A N 4.128 126.982 122.820 0.057 0.000 2.340 771 A HA 0.187 4.507 4.320 -0.000 0.000 0.268 771 A C -0.533 177.062 177.584 0.020 0.000 1.100 771 A CA -0.593 51.471 52.037 0.046 0.000 0.803 771 A CB 0.330 19.353 19.000 0.038 0.000 1.043 771 A HN 0.819 nan 8.150 nan 0.000 0.488 772 D N 1.629 122.031 120.400 0.002 0.000 2.424 772 D HA 0.345 4.985 4.640 -0.000 0.000 0.244 772 D C 0.407 176.652 176.300 -0.091 0.000 1.134 772 D CA 1.080 55.039 54.000 -0.069 0.000 0.881 772 D CB 0.904 41.666 40.800 -0.063 0.000 1.191 772 D HN 0.663 nan 8.370 nan 0.000 0.445 773 T N -1.059 113.398 114.554 -0.163 0.000 2.903 773 T HA 0.632 4.982 4.350 -0.000 0.000 0.299 773 T C -0.351 174.169 174.700 -0.300 0.000 1.093 773 T CA -0.958 61.044 62.100 -0.164 0.000 1.002 773 T CB 1.090 69.901 68.868 -0.094 0.000 1.127 773 T HN 0.109 nan 8.240 nan 0.000 0.488 774 L N 2.466 123.442 121.223 -0.411 0.000 2.295 774 L HA 0.499 4.839 4.340 -0.000 0.000 0.285 774 L C 0.420 176.902 176.870 -0.647 0.000 1.035 774 L CA -0.858 53.536 54.840 -0.742 0.000 0.806 774 L CB 1.196 42.357 42.059 -1.496 0.000 1.214 774 L HN 0.734 nan 8.230 nan 0.000 0.426 775 N N 2.022 120.431 118.700 -0.485 0.000 2.968 775 N HA 0.028 4.768 4.740 -0.000 0.000 0.271 775 N C 0.516 175.870 175.510 -0.260 0.000 1.174 775 N CA -0.070 52.812 53.050 -0.281 0.000 1.096 775 N CB 0.113 38.500 38.487 -0.166 0.000 1.403 775 N HN 0.499 nan 8.380 nan 0.000 0.522 776 W N 1.899 123.154 121.300 -0.075 0.000 2.338 776 W HA -0.040 4.620 4.660 -0.000 0.000 0.304 776 W C 2.303 178.779 176.519 -0.072 0.000 1.212 776 W CA 0.914 58.212 57.345 -0.078 0.000 1.264 776 W CB -0.385 29.034 29.460 -0.069 0.000 1.142 776 W HN 0.540 nan 8.180 nan 0.000 0.512 777 G N 0.032 108.930 108.800 0.163 0.000 2.462 777 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.220 777 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.220 777 G C 1.592 176.515 174.900 0.039 0.000 1.121 777 G CA 1.011 46.164 45.100 0.090 0.000 0.758 777 G HN 0.413 nan 8.290 nan 0.000 0.559 778 G N 0.012 108.804 108.800 -0.012 0.000 3.088 778 G HA2 0.269 4.228 3.960 -0.000 0.000 0.212 778 G HA3 0.269 4.228 3.960 -0.000 0.000 0.212 778 G C 0.674 175.486 174.900 -0.148 0.000 1.173 778 G CA 0.084 45.151 45.100 -0.056 0.000 0.779 778 G HN 0.319 nan 8.290 nan 0.000 0.540 779 S N 0.786 116.411 115.700 -0.125 0.000 2.558 779 S HA 0.149 4.619 4.470 -0.000 0.000 0.288 779 S C -0.039 174.482 174.600 -0.132 0.000 1.318 779 S CA 0.005 58.087 58.200 -0.197 0.000 1.056 779 S CB 1.187 64.393 63.200 0.011 0.000 0.853 779 S HN 0.345 nan 8.310 nan 0.000 0.505 780 D N 0.827 121.080 120.400 -0.246 0.000 2.506 780 D HA 0.209 4.848 4.640 -0.000 0.000 0.254 780 D C 1.181 177.504 176.300 0.039 0.000 1.089 780 D CA -0.676 53.306 54.000 -0.030 0.000 1.050 780 D CB 0.660 41.402 40.800 -0.097 0.000 1.221 780 D HN 0.752 nan 8.370 nan 0.000 0.589 781 W N 1.312 122.720 121.300 0.180 0.000 2.387 781 W HA -0.188 4.472 4.660 -0.000 0.000 0.272 781 W C 0.756 177.506 176.519 0.386 0.000 1.224 781 W CA 0.636 58.139 57.345 0.264 0.000 1.210 781 W CB -0.792 28.850 29.460 0.303 0.000 1.125 781 W HN 0.431 nan 8.180 nan 0.000 0.572 782 Y N -1.003 119.073 120.300 -0.373 0.000 2.500 782 Y HA 0.420 4.970 4.550 -0.000 0.000 0.246 782 Y C -0.273 175.677 175.900 0.083 0.000 1.146 782 Y CA -1.054 56.874 58.100 -0.286 0.000 1.230 782 Y CB -0.848 37.131 38.460 -0.802 0.000 1.214 782 Y HN 0.042 nan 8.280 nan 0.000 0.526 783 Y N -2.053 117.915 120.300 -0.552 0.000 2.732 783 Y HA 0.653 5.203 4.550 -0.000 0.000 0.342 783 Y C -1.842 173.868 175.900 -0.316 0.000 1.203 783 Y CA -1.408 56.437 58.100 -0.426 0.000 1.092 783 Y CB 1.000 39.227 38.460 -0.390 0.000 1.345 783 Y HN -0.161 nan 8.280 nan 0.000 0.458 784 T N 5.104 119.258 114.554 -0.668 0.000 2.812 784 T HA 0.473 4.823 4.350 -0.000 0.000 0.282 784 T C -2.871 171.433 174.700 -0.660 0.000 0.990 784 T CA -1.439 60.252 62.100 -0.683 0.000 0.960 784 T CB 1.678 70.358 68.868 -0.314 0.000 0.948 784 T HN 0.490 nan 8.240 nan 0.000 0.438 785 P HA 0.224 nan 4.420 nan 0.000 0.274 785 P C -0.849 176.281 177.300 -0.282 0.000 1.256 785 P CA -0.631 62.334 63.100 -0.224 0.000 0.795 785 P CB 0.920 32.569 31.700 -0.086 0.000 1.038 786 Q N -0.167 119.479 119.800 -0.256 0.000 2.241 786 Q HA 0.211 4.551 4.340 -0.000 0.000 0.254 786 Q C 1.181 177.003 176.000 -0.295 0.000 0.917 786 Q CA -0.374 55.154 55.803 -0.458 0.000 0.919 786 Q CB 1.173 29.304 28.738 -1.011 0.000 1.237 786 Q HN 0.458 nan 8.270 nan 0.000 0.434 787 S N 0.631 116.177 115.700 -0.257 0.000 2.446 787 S HA 0.256 4.726 4.470 -0.000 0.000 0.225 787 S C 0.568 175.127 174.600 -0.069 0.000 1.016 787 S CA 0.250 58.379 58.200 -0.120 0.000 0.943 787 S CB 0.382 63.522 63.200 -0.101 0.000 0.786 787 S HN 0.600 nan 8.310 nan 0.000 0.508 788 A N 0.211 122.934 122.820 -0.161 0.000 2.587 788 A HA 0.745 5.065 4.320 -0.000 0.000 0.293 788 A C -1.744 175.721 177.584 -0.199 0.000 1.087 788 A CA -0.819 51.195 52.037 -0.038 0.000 0.692 788 A CB 0.811 19.823 19.000 0.019 0.000 1.291 788 A HN 0.232 nan 8.150 nan 0.000 0.407 789 F N 1.018 120.971 119.950 0.006 0.000 2.467 789 F HA 0.638 5.165 4.527 -0.000 0.000 0.336 789 F C 0.960 176.761 175.800 0.001 0.000 1.123 789 F CA -0.194 57.812 58.000 0.009 0.000 0.964 789 F CB 1.898 40.900 39.000 0.004 0.000 1.136 789 F HN 0.829 nan 8.300 nan 0.000 0.447 790 A N 1.634 124.535 122.820 0.136 0.000 2.547 790 A HA 0.135 4.455 4.320 -0.000 0.000 0.233 790 A C -0.168 177.450 177.584 0.057 0.000 1.067 790 A CA 0.096 52.178 52.037 0.075 0.000 0.763 790 A CB -0.029 18.993 19.000 0.037 0.000 1.007 790 A HN 0.684 nan 8.150 nan 0.000 0.506 791 D N 1.521 121.936 120.400 0.024 0.000 2.472 791 D HA 0.448 5.088 4.640 -0.000 0.000 0.234 791 D C 0.009 176.279 176.300 -0.051 0.000 1.088 791 D CA -0.133 53.864 54.000 -0.005 0.000 0.882 791 D CB 0.293 41.107 40.800 0.024 0.000 1.037 791 D HN 0.353 nan 8.370 nan 0.000 0.520 792 L N 2.448 123.584 121.223 -0.144 0.000 2.910 792 L HA 0.107 4.447 4.340 -0.000 0.000 0.252 792 L C 1.873 178.654 176.870 -0.147 0.000 1.195 792 L CA -0.097 54.623 54.840 -0.200 0.000 1.003 792 L CB 0.200 41.990 42.059 -0.448 0.000 1.328 792 L HN 0.270 nan 8.230 nan 0.000 0.540 793 S N -0.895 114.767 115.700 -0.064 0.000 2.555 793 S HA -0.052 4.417 4.470 -0.000 0.000 0.230 793 S C 2.020 176.645 174.600 0.041 0.000 0.978 793 S CA 0.635 58.846 58.200 0.018 0.000 0.934 793 S CB -0.325 62.895 63.200 0.032 0.000 0.766 793 S HN 0.438 nan 8.310 nan 0.000 0.533 794 G N 2.270 111.079 108.800 0.015 0.000 2.462 794 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.220 794 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.220 794 G C 1.280 176.199 174.900 0.032 0.000 1.121 794 G CA 0.818 45.933 45.100 0.025 0.000 0.758 794 G HN 0.565 nan 8.290 nan 0.000 0.559 795 L N 0.119 121.346 121.223 0.006 0.000 2.265 795 L HA -0.068 4.271 4.340 -0.000 0.000 0.215 795 L C 2.471 179.555 176.870 0.356 0.000 1.117 795 L CA 0.855 55.704 54.840 0.015 0.000 0.782 795 L CB -0.440 41.440 42.059 -0.299 0.000 0.914 795 L HN 0.206 nan 8.230 nan 0.000 0.441 796 N N 0.069 118.949 118.700 0.300 0.000 2.289 796 N HA -0.145 4.595 4.740 -0.000 0.000 0.184 796 N C 1.128 176.737 175.510 0.165 0.000 1.016 796 N CA 0.960 54.170 53.050 0.266 0.000 0.872 796 N CB -0.021 38.563 38.487 0.162 0.000 0.973 796 N HN 0.328 nan 8.380 nan 0.000 0.433 797 N N 0.186 118.964 118.700 0.131 0.000 2.187 797 N HA 0.058 4.798 4.740 -0.000 0.000 0.212 797 N C -0.434 175.121 175.510 0.075 0.000 1.152 797 N CA -0.255 52.842 53.050 0.079 0.000 0.872 797 N CB 0.412 38.931 38.487 0.053 0.000 1.025 797 N HN 0.153 nan 8.380 nan 0.000 0.514 798 L N 2.086 123.377 121.223 0.114 0.000 2.559 798 L HA 0.176 4.516 4.340 -0.000 0.000 0.274 798 L C 0.925 177.838 176.870 0.071 0.000 1.205 798 L CA 0.025 54.912 54.840 0.079 0.000 0.907 798 L CB 0.007 42.120 42.059 0.090 0.000 1.153 798 L HN 0.076 nan 8.230 nan 0.000 0.490 799 G N 4.263 113.079 108.800 0.027 0.000 2.594 799 G HA2 0.167 4.127 3.960 -0.000 0.000 0.243 799 G HA3 0.167 4.127 3.960 -0.000 0.000 0.243 799 G C -0.378 174.525 174.900 0.006 0.000 1.229 799 G CA -0.637 44.470 45.100 0.012 0.000 0.843 799 G HN 0.685 nan 8.290 nan 0.000 0.578 800 Q N -0.373 119.423 119.800 -0.006 0.000 2.364 800 Q HA 0.293 4.633 4.340 -0.000 0.000 0.267 800 Q C 0.402 176.386 176.000 -0.026 0.000 0.999 800 Q CA 0.091 55.885 55.803 -0.015 0.000 0.886 800 Q CB 1.534 30.257 28.738 -0.026 0.000 1.243 800 Q HN 0.484 nan 8.270 nan 0.000 0.415 801 S N 0.010 115.690 115.700 -0.032 0.000 2.921 801 S HA 0.909 5.378 4.470 -0.000 0.000 0.315 801 S C -1.597 172.977 174.600 -0.043 0.000 1.087 801 S CA 0.023 58.193 58.200 -0.050 0.000 0.877 801 S CB 1.509 64.659 63.200 -0.082 0.000 1.340 801 S HN 0.686 nan 8.310 nan 0.000 0.622 802 A N 0.018 122.809 122.820 -0.048 0.000 2.604 802 A HA 0.742 5.062 4.320 -0.000 0.000 0.295 802 A C -1.508 176.051 177.584 -0.042 0.000 1.067 802 A CA -0.440 51.573 52.037 -0.040 0.000 0.683 802 A CB 1.370 20.351 19.000 -0.032 0.000 1.281 802 A HN 1.232 nan 8.150 nan 0.000 0.407 803 V N 0.642 120.533 119.914 -0.040 0.000 2.808 803 V HA 0.796 4.916 4.120 -0.000 0.000 0.308 803 V C 0.351 176.427 176.094 -0.030 0.000 1.099 803 V CA 1.020 63.298 62.300 -0.037 0.000 0.920 803 V CB 1.742 33.533 31.823 -0.052 0.000 1.014 803 V HN 2.750 nan 8.190 nan 0.000 0.425 804 G N 4.383 113.171 108.800 -0.021 0.000 2.337 804 G HA2 0.387 4.347 3.960 -0.000 0.000 0.134 804 G HA3 0.387 4.347 3.960 -0.000 0.000 0.134 804 G C -0.172 174.722 174.900 -0.010 0.000 1.052 804 G CA 0.015 45.106 45.100 -0.014 0.000 0.737 804 G HN 1.922 nan 8.290 nan 0.000 0.485 805 A N -0.021 122.794 122.820 -0.008 0.000 2.356 805 A HA 0.934 5.254 4.320 -0.000 0.000 0.310 805 A C -0.078 177.511 177.584 0.009 0.000 1.075 805 A CA -0.147 51.890 52.037 0.000 0.000 0.746 805 A CB 1.894 20.892 19.000 -0.004 0.000 1.221 805 A HN 0.751 nan 8.150 nan 0.000 0.443 806 T N 1.374 115.939 114.554 0.018 0.000 2.848 806 T HA 0.733 5.083 4.350 -0.000 0.000 0.285 806 T C -0.359 174.362 174.700 0.035 0.000 0.995 806 T CA 0.098 62.211 62.100 0.022 0.000 0.970 806 T CB 1.512 70.391 68.868 0.018 0.000 0.976 806 T HN 1.404 nan 8.240 nan 0.000 0.441 807 A N 3.690 126.532 122.820 0.036 0.000 2.475 807 A HA 0.864 5.184 4.320 -0.000 0.000 0.301 807 A C -0.789 176.815 177.584 0.034 0.000 1.059 807 A CA -0.809 51.257 52.037 0.047 0.000 0.710 807 A CB 1.488 20.528 19.000 0.066 0.000 1.288 807 A HN 0.841 nan 8.150 nan 0.000 0.408 808 N N -0.525 118.194 118.700 0.031 0.000 2.610 808 N HA 0.682 5.422 4.740 -0.000 0.000 0.264 808 N C -1.320 174.198 175.510 0.014 0.000 1.348 808 N CA -0.411 52.650 53.050 0.019 0.000 0.819 808 N CB 1.940 40.433 38.487 0.010 0.000 1.521 808 N HN 0.567 nan 8.380 nan 0.000 0.497 809 S N 0.482 116.184 115.700 0.005 0.000 2.548 809 S HA 0.555 5.025 4.470 -0.000 0.000 0.286 809 S C -1.222 173.355 174.600 -0.037 0.000 1.098 809 S CA -0.590 57.602 58.200 -0.013 0.000 0.930 809 S CB 1.979 65.187 63.200 0.014 0.000 1.070 809 S HN 0.279 nan 8.310 nan 0.000 0.480 810 V N 2.014 121.886 119.914 -0.071 0.000 2.444 810 V HA 0.661 4.780 4.120 -0.000 0.000 0.294 810 V C -0.007 176.022 176.094 -0.109 0.000 1.022 810 V CA -0.831 61.424 62.300 -0.075 0.000 0.850 810 V CB 1.355 33.136 31.823 -0.069 0.000 0.992 810 V HN 1.030 nan 8.190 nan 0.000 0.426 811 A N 4.055 126.823 122.820 -0.087 0.000 2.376 811 A HA 0.680 5.000 4.320 -0.000 0.000 0.298 811 A C 0.758 178.291 177.584 -0.086 0.000 1.271 811 A CA 0.215 52.193 52.037 -0.098 0.000 0.926 811 A CB -0.002 18.959 19.000 -0.066 0.000 1.141 811 A HN 1.039 nan 8.150 nan 0.000 0.539 812 G N 0.693 109.431 108.800 -0.103 0.000 2.476 812 G HA2 0.468 4.428 3.960 -0.000 0.000 0.269 812 G HA3 0.468 4.428 3.960 -0.000 0.000 0.269 812 G C 1.092 175.954 174.900 -0.064 0.000 1.195 812 G CA 0.051 45.103 45.100 -0.080 0.000 0.843 812 G HN 1.273 nan 8.290 nan 0.000 0.545 813 A N 0.907 123.698 122.820 -0.049 0.000 2.084 813 A HA -0.124 4.196 4.320 -0.000 0.000 0.221 813 A C 1.874 179.435 177.584 -0.038 0.000 1.161 813 A CA 2.117 54.132 52.037 -0.038 0.000 0.653 813 A CB -0.250 18.731 19.000 -0.030 0.000 0.802 813 A HN 0.679 nan 8.150 nan 0.000 0.457 814 D N -2.194 118.178 120.400 -0.046 0.000 2.349 814 D HA 0.247 4.887 4.640 -0.000 0.000 0.224 814 D C 1.165 177.436 176.300 -0.049 0.000 1.029 814 D CA 0.911 54.885 54.000 -0.044 0.000 0.879 814 D CB -0.656 40.116 40.800 -0.046 0.000 0.906 814 D HN 0.816 nan 8.370 nan 0.000 0.528 815 G N 0.200 108.967 108.800 -0.056 0.000 2.176 815 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.253 815 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.253 815 G C 0.410 175.259 174.900 -0.085 0.000 0.979 815 G CA 0.547 45.613 45.100 -0.057 0.000 0.641 815 G HN 0.831 nan 8.290 nan 0.000 0.530 816 T N -1.563 112.921 114.554 -0.116 0.000 2.929 816 T HA 0.698 5.048 4.350 -0.000 0.000 0.284 816 T C -0.137 174.401 174.700 -0.271 0.000 1.014 816 T CA 0.300 62.286 62.100 -0.189 0.000 1.051 816 T CB 2.441 71.204 68.868 -0.175 0.000 1.028 816 T HN 0.293 nan 8.240 nan 0.000 0.485 817 T N 2.651 116.908 114.554 -0.495 0.000 2.797 817 T HA 0.541 4.891 4.350 -0.000 0.000 0.279 817 T C -0.347 173.941 174.700 -0.686 0.000 0.991 817 T CA -0.511 61.234 62.100 -0.591 0.000 0.979 817 T CB 1.330 69.791 68.868 -0.679 0.000 0.943 817 T HN 0.793 nan 8.240 nan 0.000 0.444 818 T N 3.346 117.672 114.554 -0.380 0.000 2.771 818 T HA 0.480 4.830 4.350 -0.000 0.000 0.281 818 T C -0.004 174.590 174.700 -0.177 0.000 0.982 818 T CA -0.501 61.434 62.100 -0.275 0.000 0.978 818 T CB 0.974 69.739 68.868 -0.172 0.000 0.930 818 T HN 0.462 nan 8.240 nan 0.000 0.447 819 T N 3.393 117.876 114.554 -0.120 0.000 2.779 819 T HA 0.490 4.840 4.350 -0.000 0.000 0.280 819 T C -0.022 174.647 174.700 -0.052 0.000 0.987 819 T CA -0.538 61.544 62.100 -0.030 0.000 0.966 819 T CB 1.062 69.974 68.868 0.072 0.000 0.933 819 T HN 0.492 nan 8.240 nan 0.000 0.442 820 T N 2.981 117.535 114.554 -0.001 0.000 2.779 820 T HA 0.578 4.928 4.350 -0.000 0.000 0.280 820 T C -0.255 174.489 174.700 0.074 0.000 0.987 820 T CA -0.661 61.457 62.100 0.030 0.000 0.966 820 T CB 1.102 69.979 68.868 0.015 0.000 0.933 820 T HN 0.552 nan 8.240 nan 0.000 0.442 821 V N 2.078 122.070 119.914 0.130 0.000 2.540 821 V HA 0.791 4.911 4.120 -0.000 0.000 0.302 821 V C -0.505 175.645 176.094 0.094 0.000 1.035 821 V CA -0.401 61.977 62.300 0.130 0.000 0.873 821 V CB 1.980 33.923 31.823 0.200 0.000 0.992 821 V HN 0.798 nan 8.190 nan 0.000 0.428 822 T N 8.059 122.648 114.554 0.058 0.000 2.758 822 T HA 0.651 5.001 4.350 -0.000 0.000 0.285 822 T C -0.346 174.368 174.700 0.023 0.000 0.981 822 T CA -0.230 61.893 62.100 0.039 0.000 0.965 822 T CB 0.814 69.700 68.868 0.031 0.000 0.927 822 T HN 0.686 nan 8.240 nan 0.000 0.448 823 L N 3.286 124.517 121.223 0.014 0.000 2.334 823 L HA 0.684 5.024 4.340 -0.000 0.000 0.276 823 L C -0.002 176.869 176.870 0.002 0.000 1.014 823 L CA -0.945 53.892 54.840 -0.004 0.000 0.815 823 L CB 1.822 43.863 42.059 -0.030 0.000 1.268 823 L HN 0.415 nan 8.230 nan 0.000 0.428 824 K N 2.171 122.570 120.400 -0.001 0.000 2.501 824 K HA 0.254 4.573 4.320 -0.000 0.000 0.252 824 K C -1.123 175.476 176.600 -0.002 0.000 0.934 824 K CA -0.757 55.534 56.287 0.007 0.000 0.797 824 K CB 1.995 34.501 32.500 0.010 0.000 1.270 824 K HN 0.516 nan 8.250 nan 0.000 0.431 825 N N 2.632 121.334 118.700 0.004 0.000 2.416 825 N HA -0.016 4.724 4.740 -0.000 0.000 0.265 825 N C -0.006 175.502 175.510 -0.004 0.000 1.195 825 N CA 0.346 53.390 53.050 -0.010 0.000 0.943 825 N CB 0.945 39.424 38.487 -0.013 0.000 1.115 825 N HN 0.675 nan 8.380 nan 0.000 0.481 826 T N -0.381 114.165 114.554 -0.013 0.000 3.186 826 T HA 0.106 4.456 4.350 -0.000 0.000 0.257 826 T C 0.696 175.390 174.700 -0.011 0.000 1.029 826 T CA -0.635 61.460 62.100 -0.008 0.000 0.916 826 T CB -0.245 68.618 68.868 -0.009 0.000 1.041 826 T HN 0.298 nan 8.240 nan 0.000 0.562 827 S N 0.195 115.885 115.700 -0.016 0.000 2.562 827 S HA 0.552 5.022 4.470 -0.000 0.000 0.275 827 S C 1.185 175.782 174.600 -0.005 0.000 1.281 827 S CA -0.303 57.887 58.200 -0.017 0.000 1.045 827 S CB 0.809 63.988 63.200 -0.035 0.000 0.962 827 S HN 0.480 nan 8.310 nan 0.000 0.503 828 G N 2.623 111.422 108.800 -0.002 0.000 3.609 828 G HA2 0.511 4.471 3.960 -0.000 0.000 0.280 828 G HA3 0.511 4.471 3.960 -0.000 0.000 0.280 828 G C 0.448 175.354 174.900 0.010 0.000 1.155 828 G CA -0.024 45.080 45.100 0.007 0.000 0.876 828 G HN 0.937 nan 8.290 nan 0.000 0.535 829 G N -0.154 108.649 108.800 0.005 0.000 3.039 829 G HA2 0.463 4.423 3.960 -0.000 0.000 0.159 829 G HA3 0.463 4.423 3.960 -0.000 0.000 0.159 829 G C 0.457 175.369 174.900 0.019 0.000 1.284 829 G CA -0.648 44.458 45.100 0.010 0.000 0.996 829 G HN 0.143 nan 8.290 nan 0.000 0.592 830 R N -1.347 119.164 120.500 0.018 0.000 2.476 830 R HA 0.351 4.691 4.340 -0.000 0.000 0.276 830 R C 0.234 176.517 176.300 -0.028 0.000 0.941 830 R CA -0.209 55.917 56.100 0.043 0.000 1.088 830 R CB 0.235 30.585 30.300 0.083 0.000 1.216 830 R HN 0.189 nan 8.270 nan 0.000 0.533 831 L N 3.695 124.865 121.223 -0.088 0.000 2.367 831 L HA 0.264 4.604 4.340 -0.000 0.000 0.275 831 L C -1.972 174.676 176.870 -0.369 0.000 1.129 831 L CA -1.966 52.758 54.840 -0.194 0.000 0.839 831 L CB 0.526 42.512 42.059 -0.122 0.000 1.133 831 L HN -0.174 nan 8.230 nan 0.000 0.453 832 P HA 0.053 nan 4.420 nan 0.000 0.271 832 P C -0.868 176.156 177.300 -0.459 0.000 1.218 832 P CA -0.459 62.043 63.100 -0.996 0.000 0.780 832 P CB 0.919 31.511 31.700 -1.848 0.000 0.901 833 A N 3.750 126.384 122.820 -0.311 0.000 2.376 833 A HA 0.322 4.642 4.320 -0.000 0.000 0.298 833 A C -0.555 176.974 177.584 -0.092 0.000 1.271 833 A CA -0.309 51.644 52.037 -0.141 0.000 0.926 833 A CB -1.061 17.877 19.000 -0.104 0.000 1.141 833 A HN 0.483 nan 8.150 nan 0.000 0.539 834 F N 3.351 123.187 119.950 -0.190 0.000 2.410 834 F HA 0.465 4.992 4.527 -0.000 0.000 0.349 834 F C -0.058 175.734 175.800 -0.012 0.000 1.117 834 F CA -0.976 56.930 58.000 -0.157 0.000 1.104 834 F CB 0.346 39.227 39.000 -0.198 0.000 1.122 834 F HN 0.657 nan 8.300 nan 0.000 0.483 835 Y N 4.067 123.846 120.300 -0.869 0.000 2.994 835 Y HA -0.151 4.399 4.550 -0.000 0.000 0.168 835 Y C -1.396 174.237 175.900 -0.446 0.000 1.648 835 Y CA 0.223 57.796 58.100 -0.878 0.000 0.924 835 Y CB -1.202 36.415 38.460 -1.405 0.000 1.415 835 Y HN 0.384 nan 8.280 nan 0.000 0.391 836 V N 4.115 123.750 119.914 -0.465 0.000 2.350 836 V HA 0.276 4.396 4.120 -0.000 0.000 0.276 836 V C 0.109 175.917 176.094 -0.476 0.000 1.028 836 V CA -0.451 61.641 62.300 -0.347 0.000 0.860 836 V CB 1.578 33.262 31.823 -0.231 0.000 0.990 836 V HN 0.463 nan 8.190 nan 0.000 0.453 837 D N 3.403 123.557 120.400 -0.410 0.000 2.303 837 D HA 0.407 5.047 4.640 -0.000 0.000 0.236 837 D C -0.443 175.646 176.300 -0.352 0.000 1.068 837 D CA -0.051 53.686 54.000 -0.437 0.000 0.830 837 D CB 1.770 42.420 40.800 -0.251 0.000 1.109 837 D HN 0.471 nan 8.370 nan 0.000 0.496 838 S N 3.649 119.039 115.700 -0.516 0.000 2.451 838 S HA 0.487 4.957 4.470 -0.000 0.000 0.301 838 S C -0.317 174.090 174.600 -0.321 0.000 1.116 838 S CA -0.870 57.079 58.200 -0.418 0.000 1.093 838 S CB 1.435 64.315 63.200 -0.533 0.000 1.017 838 S HN 0.247 nan 8.310 nan 0.000 0.482 839 K N 2.213 122.615 120.400 0.003 0.000 2.426 839 K HA 0.365 4.685 4.320 -0.000 0.000 0.254 839 K C -0.961 175.764 176.600 0.209 0.000 0.936 839 K CA -0.665 55.717 56.287 0.158 0.000 0.801 839 K CB 2.132 34.666 32.500 0.056 0.000 1.139 839 K HN 0.374 nan 8.250 nan 0.000 0.424 840 V N 3.799 123.863 119.914 0.250 0.000 2.485 840 V HA 0.067 4.187 4.120 -0.000 0.000 0.287 840 V C 0.454 176.500 176.094 -0.079 0.000 1.022 840 V CA -0.251 62.037 62.300 -0.020 0.000 1.067 840 V CB 0.535 32.135 31.823 -0.372 0.000 0.967 840 V HN 0.542 nan 8.190 nan 0.000 0.479 841 V N 1.929 121.804 119.914 -0.066 0.000 3.040 841 V HA 0.816 4.936 4.120 -0.000 0.000 0.312 841 V C -0.462 175.595 176.094 -0.062 0.000 1.115 841 V CA -1.073 61.192 62.300 -0.059 0.000 0.998 841 V CB 2.158 33.965 31.823 -0.027 0.000 1.042 841 V HN 0.760 nan 8.190 nan 0.000 0.433 842 D N 1.289 121.656 120.400 -0.055 0.000 2.478 842 D HA 0.275 4.915 4.640 -0.000 0.000 0.274 842 D C 1.469 177.754 176.300 -0.026 0.000 1.234 842 D CA 0.221 54.198 54.000 -0.038 0.000 1.069 842 D CB 0.614 41.391 40.800 -0.037 0.000 1.113 842 D HN 0.818 nan 8.370 nan 0.000 0.571 843 S N -1.423 114.266 115.700 -0.019 0.000 2.442 843 S HA -0.118 4.352 4.470 -0.000 0.000 0.236 843 S C 1.803 176.391 174.600 -0.019 0.000 1.007 843 S CA 0.748 58.939 58.200 -0.015 0.000 0.965 843 S CB -0.805 62.388 63.200 -0.011 0.000 0.773 843 S HN 0.660 nan 8.310 nan 0.000 0.504 844 A N 0.599 123.405 122.820 -0.023 0.000 2.218 844 A HA 0.578 4.898 4.320 -0.000 0.000 0.209 844 A C 1.755 179.322 177.584 -0.028 0.000 1.168 844 A CA 0.532 52.553 52.037 -0.026 0.000 0.804 844 A CB -0.952 18.030 19.000 -0.030 0.000 0.834 844 A HN 1.529 nan 8.150 nan 0.000 0.482 845 G N -0.641 108.142 108.800 -0.028 0.000 2.141 845 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.242 845 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.242 845 G C 0.180 175.060 174.900 -0.033 0.000 0.982 845 G CA 0.496 45.580 45.100 -0.028 0.000 0.662 845 G HN 0.767 nan 8.290 nan 0.000 0.527 846 K N 1.369 121.745 120.400 -0.041 0.000 2.258 846 K HA 0.594 4.914 4.320 -0.000 0.000 0.284 846 K C -2.211 174.357 176.600 -0.053 0.000 1.051 846 K CA -2.156 54.101 56.287 -0.049 0.000 0.923 846 K CB 0.847 33.312 32.500 -0.059 0.000 1.046 846 K HN 0.007 nan 8.250 nan 0.000 0.474 847 P HA -0.115 nan 4.420 nan 0.000 0.263 847 P C -1.030 176.228 177.300 -0.070 0.000 1.175 847 P CA -0.078 62.996 63.100 -0.043 0.000 0.761 847 P CB 0.497 32.188 31.700 -0.016 0.000 0.794 848 V N 5.782 125.624 119.914 -0.119 0.000 2.364 848 V HA 0.311 4.431 4.120 -0.000 0.000 0.272 848 V C 0.414 176.434 176.094 -0.124 0.000 1.036 848 V CA 0.028 62.230 62.300 -0.162 0.000 0.880 848 V CB 0.176 31.802 31.823 -0.329 0.000 0.991 848 V HN 0.353 nan 8.190 nan 0.000 0.460 849 L N 7.102 128.296 121.223 -0.048 0.000 2.409 849 L HA 0.626 4.966 4.340 -0.000 0.000 0.262 849 L C -2.312 174.564 176.870 0.010 0.000 0.992 849 L CA -1.747 53.098 54.840 0.008 0.000 0.817 849 L CB 2.956 45.038 42.059 0.039 0.000 1.350 849 L HN 0.421 nan 8.230 nan 0.000 0.411 850 P HA 0.316 nan 4.420 nan 0.000 0.274 850 P C -1.235 176.145 177.300 0.134 0.000 1.256 850 P CA -0.360 62.780 63.100 0.066 0.000 0.795 850 P CB 2.277 33.908 31.700 -0.116 0.000 1.038 851 V N -0.455 119.594 119.914 0.224 0.000 3.048 851 V HA 0.355 4.475 4.120 -0.000 0.000 0.303 851 V C -1.572 174.555 176.094 0.055 0.000 1.214 851 V CA -0.588 61.769 62.300 0.095 0.000 0.984 851 V CB 2.355 34.166 31.823 -0.019 0.000 1.054 851 V HN 0.569 nan 8.190 nan 0.000 0.430 852 E N 4.791 124.969 120.200 -0.037 0.000 2.255 852 E HA 0.329 4.679 4.350 -0.000 0.000 0.256 852 E C -1.839 174.707 176.600 -0.089 0.000 0.887 852 E CA -0.306 56.078 56.400 -0.027 0.000 0.782 852 E CB 1.701 31.412 29.700 0.018 0.000 1.214 852 E HN 0.624 nan 8.360 nan 0.000 0.417 853 W N 2.875 124.186 121.300 0.018 0.000 2.381 853 W HA 0.158 4.818 4.660 -0.000 0.000 0.329 853 W C 1.766 178.294 176.519 0.014 0.000 1.157 853 W CA -0.539 56.820 57.345 0.022 0.000 1.240 853 W CB 0.576 30.044 29.460 0.014 0.000 1.199 853 W HN 0.494 nan 8.180 nan 0.000 0.579 854 N N 1.202 120.051 118.700 0.248 0.000 2.216 854 N HA 0.016 4.756 4.740 -0.000 0.000 0.183 854 N C 0.148 175.740 175.510 0.138 0.000 1.017 854 N CA 1.196 54.333 53.050 0.145 0.000 0.861 854 N CB 0.116 38.665 38.487 0.104 0.000 0.986 854 N HN 0.348 nan 8.380 nan 0.000 0.428 855 A N -0.943 121.979 122.820 0.170 0.000 2.610 855 A HA 0.657 4.976 4.320 -0.000 0.000 0.291 855 A C -1.235 176.286 177.584 -0.106 0.000 1.086 855 A CA -0.691 51.373 52.037 0.045 0.000 0.677 855 A CB 1.634 20.649 19.000 0.025 0.000 1.278 855 A HN 0.293 nan 8.150 nan 0.000 0.414 856 N N -1.464 117.042 118.700 -0.324 0.000 3.261 856 N HA 0.543 5.283 4.740 -0.000 0.000 0.248 856 N C -0.412 174.639 175.510 -0.765 0.000 1.498 856 N CA 0.554 53.169 53.050 -0.725 0.000 0.884 856 N CB 1.468 39.259 38.487 -1.161 0.000 1.428 856 N HN 2.318 nan 8.380 nan 0.000 0.517 857 A N -0.140 122.091 122.820 -0.982 0.000 2.560 857 A HA -0.118 4.202 4.320 -0.000 0.000 0.299 857 A C 0.346 177.561 177.584 -0.616 0.000 1.484 857 A CA 1.057 52.506 52.037 -0.979 0.000 0.749 857 A CB -2.466 15.911 19.000 -1.038 0.000 1.072 857 A HN 1.166 nan 8.150 nan 0.000 0.426 858 V N -2.114 117.534 119.914 -0.444 0.000 2.863 858 V HA 0.912 5.032 4.120 -0.000 0.000 0.307 858 V C 0.413 176.410 176.094 -0.161 0.000 1.061 858 V CA -0.027 62.143 62.300 -0.216 0.000 1.024 858 V CB 2.029 33.764 31.823 -0.146 0.000 1.049 858 V HN 1.082 nan 8.190 nan 0.000 0.471 859 S N 3.757 119.462 115.700 0.008 0.000 2.594 859 S HA 0.758 5.228 4.470 -0.000 0.000 0.296 859 S C -0.756 173.948 174.600 0.173 0.000 1.124 859 S CA -0.508 57.739 58.200 0.079 0.000 1.011 859 S CB 1.118 64.480 63.200 0.269 0.000 1.016 859 S HN 0.732 nan 8.310 nan 0.000 0.485 860 L N 2.550 123.806 121.223 0.054 0.000 2.376 860 L HA 0.520 4.860 4.340 -0.000 0.000 0.275 860 L C -0.423 176.484 176.870 0.062 0.000 0.987 860 L CA -0.573 54.350 54.840 0.139 0.000 0.828 860 L CB 1.207 43.298 42.059 0.053 0.000 1.249 860 L HN 0.551 nan 8.230 nan 0.000 0.409 861 W N 2.649 123.927 121.300 -0.036 0.000 2.141 861 W HA 0.259 4.918 4.660 -0.000 0.000 0.354 861 W C -2.062 174.434 176.519 -0.037 0.000 1.297 861 W CA -1.399 55.902 57.345 -0.073 0.000 1.380 861 W CB 0.977 30.367 29.460 -0.117 0.000 1.168 861 W HN 0.141 nan 8.180 nan 0.000 0.639 862 P HA 0.063 nan 4.420 nan 0.000 0.268 862 P C 0.450 177.817 177.300 0.111 0.000 1.204 862 P CA 1.556 64.707 63.100 0.085 0.000 0.768 862 P CB 0.328 32.067 31.700 0.065 0.000 0.842 863 G N 1.386 110.231 108.800 0.075 0.000 2.195 863 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.246 863 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.246 863 G C -0.029 174.914 174.900 0.073 0.000 0.984 863 G CA -0.267 44.874 45.100 0.069 0.000 0.633 863 G HN 0.555 nan 8.290 nan 0.000 0.525 864 E N 0.489 120.744 120.200 0.092 0.000 2.242 864 E HA 0.633 4.983 4.350 -0.000 0.000 0.275 864 E C -0.424 176.215 176.600 0.064 0.000 1.002 864 E CA -0.185 56.270 56.400 0.092 0.000 0.841 864 E CB 1.469 31.254 29.700 0.142 0.000 1.109 864 E HN 0.153 nan 8.360 nan 0.000 0.394 865 T N 0.707 115.294 114.554 0.055 0.000 2.903 865 T HA 0.474 4.824 4.350 -0.000 0.000 0.299 865 T C -0.742 173.982 174.700 0.040 0.000 1.093 865 T CA -0.626 61.498 62.100 0.039 0.000 1.002 865 T CB 2.034 70.921 68.868 0.032 0.000 1.127 865 T HN 0.346 nan 8.240 nan 0.000 0.488 866 T N 1.095 115.667 114.554 0.030 0.000 2.923 866 T HA 0.614 4.964 4.350 -0.000 0.000 0.311 866 T C -1.277 173.442 174.700 0.032 0.000 1.183 866 T CA -0.392 61.727 62.100 0.031 0.000 1.020 866 T CB 1.529 70.413 68.868 0.026 0.000 1.165 866 T HN 0.571 nan 8.240 nan 0.000 0.482 867 T N 4.552 119.131 114.554 0.042 0.000 2.779 867 T HA 0.638 4.988 4.350 -0.000 0.000 0.280 867 T C -0.503 174.246 174.700 0.082 0.000 0.987 867 T CA -0.525 61.608 62.100 0.056 0.000 0.966 867 T CB 0.497 69.392 68.868 0.046 0.000 0.933 867 T HN 0.396 nan 8.240 nan 0.000 0.442 868 L N 2.447 123.749 121.223 0.131 0.000 2.334 868 L HA 0.657 4.997 4.340 -0.000 0.000 0.273 868 L C 0.219 177.235 176.870 0.244 0.000 1.013 868 L CA -0.880 54.099 54.840 0.231 0.000 0.816 868 L CB 1.929 44.178 42.059 0.317 0.000 1.278 868 L HN 0.531 nan 8.230 nan 0.000 0.431 869 T N 1.500 116.181 114.554 0.212 0.000 2.824 869 T HA 0.664 5.014 4.350 -0.000 0.000 0.282 869 T C -0.487 174.101 174.700 -0.186 0.000 0.993 869 T CA -0.491 61.623 62.100 0.023 0.000 0.967 869 T CB 1.788 70.657 68.868 0.001 0.000 0.960 869 T HN 0.658 nan 8.240 nan 0.000 0.441 870 A N 3.388 125.884 122.820 -0.540 0.000 2.318 870 A HA 0.783 5.103 4.320 -0.000 0.000 0.324 870 A C -0.349 177.037 177.584 -0.330 0.000 1.170 870 A CA -0.755 50.768 52.037 -0.857 0.000 0.810 870 A CB 0.998 19.066 19.000 -1.555 0.000 1.198 870 A HN 0.716 nan 8.150 nan 0.000 0.484 871 K N 1.622 121.891 120.400 -0.218 0.000 2.324 871 K HA 0.708 5.027 4.320 -0.000 0.000 0.253 871 K C -1.580 175.025 176.600 0.008 0.000 0.932 871 K CA -0.528 55.663 56.287 -0.160 0.000 0.799 871 K CB 1.288 33.704 32.500 -0.140 0.000 1.154 871 K HN 0.807 nan 8.250 nan 0.000 0.425 872 Y N -1.074 119.145 120.300 -0.136 0.000 2.713 872 Y HA 0.443 4.993 4.550 -0.000 0.000 0.335 872 Y C -1.086 174.771 175.900 -0.072 0.000 1.222 872 Y CA -1.512 56.532 58.100 -0.094 0.000 1.061 872 Y CB 0.749 39.149 38.460 -0.101 0.000 1.314 872 Y HN 0.299 nan 8.280 nan 0.000 0.453 873 R N 0.933 121.479 120.500 0.078 0.000 2.347 873 R HA 0.225 4.565 4.340 -0.000 0.000 0.304 873 R C 0.453 176.783 176.300 0.050 0.000 1.072 873 R CA 0.452 56.556 56.100 0.006 0.000 0.980 873 R CB 1.064 31.378 30.300 0.023 0.000 0.986 873 R HN 0.955 nan 8.270 nan 0.000 0.448 874 T N 2.226 116.753 114.554 -0.045 0.000 2.699 874 T HA -0.271 4.079 4.350 -0.000 0.000 0.268 874 T C 1.890 176.619 174.700 0.048 0.000 1.036 874 T CA 1.878 63.973 62.100 -0.008 0.000 1.147 874 T CB -0.074 68.764 68.868 -0.051 0.000 0.862 874 T HN 0.763 nan 8.240 nan 0.000 0.446 875 A N 1.856 124.691 122.820 0.026 0.000 2.024 875 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 875 A C 1.949 179.553 177.584 0.034 0.000 1.164 875 A CA 1.521 53.572 52.037 0.023 0.000 0.643 875 A CB -0.490 18.516 19.000 0.010 0.000 0.806 875 A HN 0.372 nan 8.150 nan 0.000 0.451 876 D N -0.483 119.952 120.400 0.059 0.000 2.371 876 D HA -0.033 4.606 4.640 -0.000 0.000 0.221 876 D C 1.261 177.583 176.300 0.036 0.000 0.986 876 D CA 0.313 54.342 54.000 0.048 0.000 0.899 876 D CB 0.055 40.890 40.800 0.059 0.000 0.902 876 D HN 0.241 nan 8.370 nan 0.000 0.530 877 L N 0.551 121.813 121.223 0.065 0.000 2.395 877 L HA 0.019 4.359 4.340 -0.000 0.000 0.218 877 L C 0.742 177.622 176.870 0.016 0.000 1.130 877 L CA 0.739 55.603 54.840 0.041 0.000 0.826 877 L CB -0.597 41.512 42.059 0.083 0.000 0.941 877 L HN -0.029 nan 8.230 nan 0.000 0.451 878 K N -0.021 120.388 120.400 0.016 0.000 3.156 878 K HA -0.255 4.065 4.320 -0.000 0.000 0.266 878 K C 1.100 177.702 176.600 0.003 0.000 0.966 878 K CA 0.327 56.616 56.287 0.005 0.000 0.719 878 K CB -1.834 30.663 32.500 -0.006 0.000 1.333 878 K HN 0.526 nan 8.250 nan 0.000 0.468 879 G N -0.885 107.921 108.800 0.009 0.000 2.253 879 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.251 879 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.251 879 G C 0.185 175.089 174.900 0.007 0.000 0.998 879 G CA 0.339 45.442 45.100 0.006 0.000 0.621 879 G HN 0.630 nan 8.290 nan 0.000 0.524 880 S N 0.552 116.256 115.700 0.007 0.000 2.579 880 S HA 0.492 4.962 4.470 -0.000 0.000 0.275 880 S C 0.784 175.394 174.600 0.017 0.000 1.345 880 S CA 0.162 58.366 58.200 0.006 0.000 1.031 880 S CB 0.460 63.659 63.200 -0.002 0.000 0.892 880 S HN 0.430 nan 8.310 nan 0.000 0.529 881 K N 3.602 124.010 120.400 0.013 0.000 2.295 881 K HA 0.272 4.592 4.320 -0.000 0.000 0.270 881 K C -2.248 174.367 176.600 0.026 0.000 1.011 881 K CA -1.416 54.884 56.287 0.021 0.000 0.953 881 K CB 0.227 32.735 32.500 0.014 0.000 0.956 881 K HN 0.525 nan 8.250 nan 0.000 0.477 882 P HA 0.108 nan 4.420 nan 0.000 0.279 882 P C -0.964 176.352 177.300 0.027 0.000 1.239 882 P CA -0.288 62.838 63.100 0.043 0.000 0.789 882 P CB 1.413 33.184 31.700 0.120 0.000 0.933 883 S N 0.877 116.582 115.700 0.009 0.000 2.677 883 S HA 0.588 5.058 4.470 -0.000 0.000 0.304 883 S C -0.549 174.066 174.600 0.026 0.000 1.108 883 S CA -0.681 57.528 58.200 0.016 0.000 0.944 883 S CB 1.521 64.724 63.200 0.006 0.000 1.127 883 S HN 0.231 nan 8.310 nan 0.000 0.511 884 V N 1.988 121.928 119.914 0.043 0.000 2.407 884 V HA 0.470 4.589 4.120 -0.000 0.000 0.291 884 V C -0.053 176.062 176.094 0.036 0.000 1.018 884 V CA -0.703 61.641 62.300 0.073 0.000 0.842 884 V CB 1.261 33.158 31.823 0.124 0.000 0.996 884 V HN 0.748 nan 8.190 nan 0.000 0.426 885 R N 5.045 125.560 120.500 0.024 0.000 2.234 885 R HA 0.622 4.962 4.340 -0.000 0.000 0.324 885 R C -1.161 175.121 176.300 -0.030 0.000 1.054 885 R CA -0.335 55.761 56.100 -0.006 0.000 0.912 885 R CB 0.603 30.896 30.300 -0.012 0.000 1.030 885 R HN 0.705 nan 8.270 nan 0.000 0.455 886 I N 3.520 124.062 120.570 -0.046 0.000 2.411 886 I HA 0.215 4.385 4.170 -0.000 0.000 0.284 886 I C -0.695 175.373 176.117 -0.082 0.000 1.012 886 I CA -0.337 60.915 61.300 -0.080 0.000 1.119 886 I CB 2.107 40.064 38.000 -0.070 0.000 1.261 886 I HN 0.550 nan 8.210 nan 0.000 0.448 887 S N 3.865 119.506 115.700 -0.099 0.000 2.519 887 S HA 0.785 5.254 4.470 -0.000 0.000 0.309 887 S C 0.021 174.566 174.600 -0.092 0.000 1.100 887 S CA -0.767 57.383 58.200 -0.084 0.000 1.059 887 S CB 1.917 65.078 63.200 -0.065 0.000 1.008 887 S HN 0.759 nan 8.310 nan 0.000 0.478 888 G N 0.799 109.556 108.800 -0.072 0.000 2.453 888 G HA2 0.431 4.391 3.960 -0.000 0.000 0.323 888 G HA3 0.431 4.391 3.960 -0.000 0.000 0.323 888 G C 0.310 175.223 174.900 0.021 0.000 1.198 888 G CA -0.883 44.191 45.100 -0.043 0.000 0.959 888 G HN 0.772 nan 8.290 nan 0.000 0.482 889 W N 2.089 123.320 121.300 -0.114 0.000 2.304 889 W HA -0.164 4.496 4.660 -0.000 0.000 0.315 889 W C 0.901 177.401 176.519 -0.032 0.000 1.233 889 W CA 2.005 59.301 57.345 -0.081 0.000 1.261 889 W CB 0.222 29.634 29.460 -0.079 0.000 1.150 889 W HN 0.648 nan 8.180 nan 0.000 0.494 890 N N -0.434 118.395 118.700 0.215 0.000 2.338 890 N HA -0.006 4.734 4.740 -0.000 0.000 0.251 890 N C 0.316 175.831 175.510 0.008 0.000 1.199 890 N CA 0.892 53.996 53.050 0.091 0.000 0.879 890 N CB -0.525 38.080 38.487 0.196 0.000 1.159 890 N HN 0.073 nan 8.380 nan 0.000 0.514 891 T N -4.873 109.668 114.554 -0.022 0.000 3.058 891 T HA 0.464 4.814 4.350 -0.000 0.000 0.278 891 T C 0.929 175.593 174.700 -0.059 0.000 0.974 891 T CA 0.216 62.291 62.100 -0.042 0.000 0.893 891 T CB 0.312 69.153 68.868 -0.045 0.000 1.138 891 T HN 0.382 nan 8.240 nan 0.000 0.529 892 G N 1.516 110.269 108.800 -0.079 0.000 2.601 892 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.252 892 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.252 892 G C -0.421 174.434 174.900 -0.076 0.000 1.294 892 G CA -0.106 44.943 45.100 -0.085 0.000 0.912 892 G HN 0.837 nan 8.290 nan 0.000 0.574 893 T N 1.297 115.811 114.554 -0.068 0.000 2.848 893 T HA 0.644 4.994 4.350 -0.000 0.000 0.285 893 T C -0.077 174.594 174.700 -0.048 0.000 0.995 893 T CA 0.153 62.217 62.100 -0.059 0.000 0.970 893 T CB 1.701 70.534 68.868 -0.058 0.000 0.976 893 T HN 0.960 nan 8.240 nan 0.000 0.441 894 Q N 0.327 120.102 119.800 -0.043 0.000 2.421 894 Q HA 0.765 5.105 4.340 -0.000 0.000 0.280 894 Q C -1.154 174.830 176.000 -0.026 0.000 1.085 894 Q CA -1.060 54.724 55.803 -0.032 0.000 0.807 894 Q CB 2.198 30.918 28.738 -0.030 0.000 1.405 894 Q HN 0.579 nan 8.270 nan 0.000 0.419 895 T N -0.501 114.041 114.554 -0.019 0.000 2.824 895 T HA 0.603 4.953 4.350 -0.000 0.000 0.282 895 T C -0.356 174.341 174.700 -0.005 0.000 0.993 895 T CA -0.418 61.676 62.100 -0.011 0.000 0.967 895 T CB 1.302 70.163 68.868 -0.011 0.000 0.960 895 T HN 0.787 nan 8.240 nan 0.000 0.441 896 V N 2.434 122.350 119.914 0.004 0.000 2.547 896 V HA 0.847 4.967 4.120 -0.000 0.000 0.299 896 V C -2.587 173.515 176.094 0.015 0.000 1.040 896 V CA -2.792 59.513 62.300 0.009 0.000 0.913 896 V CB 1.211 33.041 31.823 0.013 0.000 0.992 896 V HN 0.823 nan 8.190 nan 0.000 0.449 897 P HA 0.287 nan 4.420 nan 0.000 0.272 897 P C -0.173 177.141 177.300 0.024 0.000 1.223 897 P CA -0.078 63.031 63.100 0.015 0.000 0.784 897 P CB 1.507 33.213 31.700 0.010 0.000 0.923 898 A N -0.192 122.646 122.820 0.029 0.000 2.749 898 A HA 0.610 4.930 4.320 -0.000 0.000 0.299 898 A C 0.311 177.913 177.584 0.031 0.000 1.105 898 A CA 0.561 52.621 52.037 0.038 0.000 0.987 898 A CB -0.718 18.316 19.000 0.057 0.000 1.180 898 A HN 0.737 nan 8.150 nan 0.000 0.528 899 D N 0.000 120.413 120.400 0.021 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