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 3k30_1_A DATA FIRST_RESID 7 DATA SEQUENCE VAAPYDVLFE PVQIGPFTTK NRFYQVPHCN GMGYRDPSAQ ASMRKIKAEG DATA SEQUENCE GWSAVCTEQV EIHATSDIAP FIELRIWDDQ DLPALKRIAD AIHEGGGLAG DATA SEQUENCE IELAHNGMNA PNQLSRETPL GPGHLPVAPD TIAPIQARAM TKQDIDDLRR DATA SEQUENCE WHRNAVRRSI EAGYDIVYVY GAHGYSGVHH FLSKRYNQRT DEYGGSLENR DATA SEQUENCE MRLLRELLED TLDECAGRAA VACRITVEEE IDGGITREDI EGVLRELGEL DATA SEQUENCE PDLWDFAMGS WEGDSVTSRF APEGRQEEFV AGLKKLTTKP VVGVGRFTSP DATA SEQUENCE DAMVRQIKAG ILDLIGAARP SIADPFLPNK IRDGRLNLIR ECIGCNICVS DATA SEQUENCE GDLTMSPIRC TQNPSMGEEW RRGWHPERIR AKESDARVLV VGAGPSGLEA DATA SEQUENCE ARALGVRGYD VVLAEAGRDL GGRVTQESAL PGLSAWGRVK EYREAVLAEL DATA SEQUENCE PNVEIYRESP MTGDDIVEFG FEHVITATGA TWRTDGVARF HTTALPIAEG DATA SEQUENCE MQVLGPDDLF AGRLPDGKKV VVYDDDHYYL GGVVAELLAQ KGYEVSIVTP DATA SEQUENCE GAQVSSWTNN TFEVNRIQRR LIENGVARVT DHAVVAVGAG GVTVRDTYAS DATA SEQUENCE IERELECDAV VMVTARLPRE ELYLDLVARR DAGEIASVRG IGDAWAPGTI DATA SEQUENCE AAAVWSGRRA AEEFDAVLPS NDEVPFRREV TQLA 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 7 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 176.104 176.094 0.016 0.000 1.182 7 V CA 0.000 62.243 62.300 -0.095 0.000 1.235 7 V CB 0.000 31.698 31.823 -0.208 0.000 1.184 8 A N 1.858 124.713 122.820 0.057 0.000 3.886 8 A HA 1.149 5.473 4.320 0.006 0.000 0.217 8 A C 0.532 178.175 177.584 0.097 0.000 0.876 8 A CA 0.396 52.476 52.037 0.071 0.000 0.726 8 A CB 0.713 19.736 19.000 0.038 0.000 1.479 8 A HN 2.873 nan 8.150 nan 0.000 0.792 9 A N -1.306 121.540 122.820 0.043 0.000 5.570 9 A HA -0.109 4.215 4.320 0.006 0.000 0.277 9 A C -1.476 176.040 177.584 -0.113 0.000 2.110 9 A CA 1.149 53.181 52.037 -0.009 0.000 0.715 9 A CB -2.576 16.464 19.000 0.067 0.000 1.145 9 A HN 1.097 nan 8.150 nan 0.000 0.356 10 P HA 0.198 nan 4.420 nan 0.000 0.251 10 P C 0.634 177.712 177.300 -0.371 0.000 1.223 10 P CA 1.508 64.364 63.100 -0.405 0.000 0.796 10 P CB -0.140 31.225 31.700 -0.558 0.000 1.068 11 Y N 1.265 121.628 120.300 0.105 0.000 2.490 11 Y HA -0.025 4.529 4.550 0.006 0.000 0.281 11 Y C 1.979 178.034 175.900 0.259 0.000 1.174 11 Y CA 0.263 58.465 58.100 0.170 0.000 1.295 11 Y CB -0.932 37.666 38.460 0.229 0.000 1.062 11 Y HN 0.029 nan 8.280 nan 0.000 0.522 12 D N -0.453 120.108 120.400 0.268 0.000 2.221 12 D HA -0.149 4.495 4.640 0.006 0.000 0.204 12 D C 1.851 178.287 176.300 0.227 0.000 0.982 12 D CA 1.084 55.246 54.000 0.271 0.000 0.857 12 D CB -0.949 39.935 40.800 0.139 0.000 0.934 12 D HN 0.258 nan 8.370 nan 0.000 0.475 13 V N 0.486 120.474 119.914 0.123 0.000 2.469 13 V HA -0.209 3.914 4.120 0.006 0.000 0.251 13 V C 2.243 178.335 176.094 -0.003 0.000 1.064 13 V CA 1.005 63.332 62.300 0.045 0.000 1.066 13 V CB -0.503 31.318 31.823 -0.003 0.000 0.667 13 V HN 0.176 nan 8.190 nan 0.000 0.461 14 L N -1.318 119.893 121.223 -0.020 0.000 2.610 14 L HA 0.165 4.508 4.340 0.006 0.000 0.232 14 L C 1.227 177.786 176.870 -0.518 0.000 1.149 14 L CA 1.256 55.901 54.840 -0.325 0.000 0.872 14 L CB -1.035 40.804 42.059 -0.368 0.000 0.992 14 L HN 0.329 nan 8.230 nan 0.000 0.447 15 F N -1.135 118.870 119.950 0.091 0.000 2.764 15 F HA 0.258 4.788 4.527 0.005 0.000 0.310 15 F C 0.920 176.761 175.800 0.069 0.000 1.124 15 F CA -0.775 57.289 58.000 0.107 0.000 1.252 15 F CB 0.070 39.139 39.000 0.115 0.000 1.010 15 F HN -0.010 nan 8.300 nan 0.000 0.518 16 E N 2.262 122.543 120.200 0.136 0.000 2.366 16 E HA 0.172 4.526 4.350 0.006 0.000 0.266 16 E C -2.293 174.361 176.600 0.090 0.000 1.051 16 E CA -1.895 54.566 56.400 0.102 0.000 0.884 16 E CB 0.286 30.020 29.700 0.058 0.000 1.006 16 E HN -0.038 nan 8.360 nan 0.000 0.417 17 P HA 0.060 nan 4.420 nan 0.000 0.274 17 P C -1.005 176.337 177.300 0.070 0.000 1.231 17 P CA -0.195 62.957 63.100 0.087 0.000 0.790 17 P CB 0.662 32.411 31.700 0.081 0.000 0.951 18 V N 2.773 122.735 119.914 0.080 0.000 2.577 18 V HA 0.217 4.340 4.120 0.006 0.000 0.303 18 V C -0.008 176.137 176.094 0.085 0.000 1.042 18 V CA -0.723 61.620 62.300 0.071 0.000 0.872 18 V CB 1.681 33.545 31.823 0.070 0.000 0.998 18 V HN 0.440 nan 8.190 nan 0.000 0.423 19 Q N 4.525 124.365 119.800 0.068 0.000 2.296 19 Q HA 0.513 4.856 4.340 0.006 0.000 0.262 19 Q C -0.895 175.153 176.000 0.079 0.000 0.981 19 Q CA 0.101 55.947 55.803 0.071 0.000 0.905 19 Q CB 1.935 30.700 28.738 0.045 0.000 1.186 19 Q HN 0.614 nan 8.270 nan 0.000 0.399 20 I N 2.189 122.828 120.570 0.115 0.000 2.437 20 I HA 0.247 4.421 4.170 0.006 0.000 0.279 20 I C 0.932 177.130 176.117 0.134 0.000 1.028 20 I CA -0.251 61.118 61.300 0.115 0.000 1.142 20 I CB 1.107 39.199 38.000 0.154 0.000 1.266 20 I HN 0.902 nan 8.210 nan 0.000 0.461 21 G N 8.056 116.894 108.800 0.063 0.000 2.651 21 G HA2 -0.269 3.695 3.960 0.006 0.000 0.315 21 G HA3 -0.269 3.695 3.960 0.006 0.000 0.315 21 G C -1.497 173.386 174.900 -0.029 0.000 1.258 21 G CA 0.346 45.463 45.100 0.029 0.000 1.002 21 G HN 0.513 nan 8.290 nan 0.000 0.551 22 P HA 0.327 nan 4.420 nan 0.000 0.257 22 P C -0.093 176.907 177.300 -0.499 0.000 1.281 22 P CA 0.404 63.287 63.100 -0.362 0.000 0.826 22 P CB -0.037 31.333 31.700 -0.551 0.000 1.237 23 F N -0.393 119.566 119.950 0.016 0.000 2.575 23 F HA 0.545 5.075 4.527 0.005 0.000 0.330 23 F C 0.739 176.557 175.800 0.031 0.000 1.056 23 F CA -0.559 57.454 58.000 0.022 0.000 0.964 23 F CB 1.407 40.425 39.000 0.029 0.000 1.258 23 F HN -0.440 nan 8.300 nan 0.000 0.484 24 T N -0.292 114.411 114.554 0.249 0.000 2.886 24 T HA 0.417 4.771 4.350 0.006 0.000 0.292 24 T C -0.321 174.472 174.700 0.155 0.000 1.012 24 T CA -0.972 61.223 62.100 0.160 0.000 0.982 24 T CB 1.464 70.395 68.868 0.105 0.000 1.018 24 T HN 0.738 nan 8.240 nan 0.000 0.451 25 T N 0.262 114.900 114.554 0.141 0.000 2.868 25 T HA 0.356 4.710 4.350 0.006 0.000 0.292 25 T C 1.070 175.846 174.700 0.126 0.000 1.028 25 T CA -0.585 61.596 62.100 0.135 0.000 1.059 25 T CB 0.923 69.881 68.868 0.150 0.000 0.991 25 T HN 0.511 nan 8.240 nan 0.000 0.531 26 K N 1.226 121.703 120.400 0.129 0.000 2.296 26 K HA 0.094 4.418 4.320 0.006 0.000 0.200 26 K C 0.544 177.255 176.600 0.185 0.000 1.048 26 K CA 0.755 57.126 56.287 0.139 0.000 0.966 26 K CB -0.046 32.531 32.500 0.128 0.000 0.754 26 K HN 0.846 nan 8.250 nan 0.000 0.466 27 N N -2.007 116.801 118.700 0.180 0.000 3.364 27 N HA 0.130 4.874 4.740 0.006 0.000 0.294 27 N C -0.522 175.033 175.510 0.075 0.000 1.562 27 N CA -0.883 52.270 53.050 0.171 0.000 0.862 27 N CB 0.505 39.172 38.487 0.299 0.000 1.691 27 N HN -0.295 nan 8.380 nan 0.000 0.572 28 R N -1.283 119.155 120.500 -0.103 0.000 2.334 28 R HA 0.359 4.703 4.340 0.006 0.000 0.216 28 R C -0.425 175.753 176.300 -0.205 0.000 0.905 28 R CA -0.122 55.868 56.100 -0.183 0.000 1.064 28 R CB -0.212 29.892 30.300 -0.326 0.000 1.046 28 R HN 0.318 nan 8.270 nan 0.000 0.508 29 F N 0.315 120.246 119.950 -0.032 0.000 2.420 29 F HA 0.187 4.717 4.527 0.006 0.000 0.352 29 F C -0.116 175.914 175.800 0.384 0.000 1.108 29 F CA -0.502 57.542 58.000 0.072 0.000 1.162 29 F CB 0.578 39.352 39.000 -0.376 0.000 1.118 29 F HN -0.085 nan 8.300 nan 0.000 0.510 30 Y N 4.011 124.676 120.300 0.607 0.000 2.332 30 Y HA 0.222 4.776 4.550 0.006 0.000 0.326 30 Y C -0.454 175.690 175.900 0.407 0.000 0.978 30 Y CA -0.882 57.482 58.100 0.440 0.000 1.205 30 Y CB 0.949 39.559 38.460 0.251 0.000 1.131 30 Y HN 0.484 nan 8.280 nan 0.000 0.462 31 Q N 6.836 126.693 119.800 0.095 0.000 2.337 31 Q HA 0.364 4.708 4.340 0.006 0.000 0.255 31 Q C -0.570 175.414 176.000 -0.027 0.000 0.997 31 Q CA -0.403 55.295 55.803 -0.175 0.000 0.925 31 Q CB 0.674 29.133 28.738 -0.465 0.000 1.212 31 Q HN 0.712 nan 8.270 nan 0.000 0.436 32 V N 2.720 122.736 119.914 0.170 0.000 3.264 32 V HA 0.448 4.572 4.120 0.006 0.000 0.304 32 V C -2.319 173.796 176.094 0.035 0.000 1.086 32 V CA -1.937 60.507 62.300 0.240 0.000 1.090 32 V CB -0.101 31.870 31.823 0.247 0.000 1.112 32 V HN 0.666 nan 8.190 nan 0.000 0.472 33 P HA 0.271 nan 4.420 nan 0.000 0.264 33 P C -1.060 176.163 177.300 -0.127 0.000 1.193 33 P CA 0.812 63.782 63.100 -0.217 0.000 0.763 33 P CB -0.093 31.381 31.700 -0.377 0.000 0.810 34 H N 1.010 119.970 119.070 -0.183 0.000 3.029 34 H HA 0.443 5.003 4.556 0.007 0.000 0.358 34 H C -0.326 174.909 175.328 -0.154 0.000 1.129 34 H CA -1.220 54.730 56.048 -0.163 0.000 1.230 34 H CB -0.234 29.468 29.762 -0.101 0.000 1.827 34 H HN 0.519 nan 8.280 nan 0.000 0.530 35 C N 2.830 122.136 119.300 0.009 0.000 2.767 35 C HA 0.406 4.870 4.460 0.006 0.000 0.353 35 C C 0.913 175.994 174.990 0.152 0.000 1.376 35 C CA 0.434 59.456 59.018 0.006 0.000 2.284 35 C CB -0.360 27.380 27.740 -0.001 0.000 2.535 35 C HN 1.149 nan 8.230 nan 0.000 0.745 36 N N -2.343 116.388 118.700 0.052 0.000 1.938 36 N HA 0.256 4.999 4.740 0.006 0.000 0.225 36 N C 0.956 176.469 175.510 0.004 0.000 1.400 36 N CA 0.655 53.737 53.050 0.054 0.000 0.772 36 N CB -0.493 37.997 38.487 0.004 0.000 1.124 36 N HN 1.911 nan 8.380 nan 0.000 0.513 37 G N 1.376 110.169 108.800 -0.012 0.000 2.180 37 G HA2 -0.324 3.639 3.960 0.006 0.000 0.263 37 G HA3 -0.324 3.639 3.960 0.006 0.000 0.263 37 G C 0.243 175.086 174.900 -0.096 0.000 0.989 37 G CA 1.076 46.152 45.100 -0.041 0.000 0.692 37 G HN 0.680 nan 8.290 nan 0.000 0.526 38 M N -1.451 118.081 119.600 -0.114 0.000 3.287 38 M HA 0.598 5.082 4.480 0.006 0.000 0.336 38 M C 0.823 177.013 176.300 -0.183 0.000 1.573 38 M CA -0.076 55.140 55.300 -0.141 0.000 0.609 38 M CB 0.667 33.206 32.600 -0.101 0.000 1.421 38 M HN 0.144 nan 8.290 nan 0.000 0.476 39 G N 1.598 110.245 108.800 -0.255 0.000 2.832 39 G HA2 -0.010 3.953 3.960 0.006 0.000 0.187 39 G HA3 -0.010 3.953 3.960 0.006 0.000 0.187 39 G C 0.613 175.378 174.900 -0.226 0.000 1.817 39 G CA 0.427 45.373 45.100 -0.256 0.000 0.896 39 G HN 0.759 nan 8.290 nan 0.000 0.453 40 Y N 0.155 120.362 120.300 -0.155 0.000 2.680 40 Y HA 0.240 4.793 4.550 0.005 0.000 0.303 40 Y C 2.220 178.027 175.900 -0.155 0.000 1.166 40 Y CA 0.955 58.946 58.100 -0.182 0.000 1.344 40 Y CB -0.291 38.025 38.460 -0.240 0.000 1.002 40 Y HN 0.236 nan 8.280 nan 0.000 0.537 41 R N 0.174 120.540 120.500 -0.224 0.000 2.195 41 R HA 0.071 4.414 4.340 0.006 0.000 0.197 41 R C -0.561 175.671 176.300 -0.114 0.000 0.990 41 R CA 0.665 56.685 56.100 -0.133 0.000 1.048 41 R CB 0.474 30.615 30.300 -0.265 0.000 0.997 41 R HN 0.264 nan 8.270 nan 0.000 0.502 42 D N 0.889 121.193 120.400 -0.160 0.000 2.613 42 D HA 0.177 4.821 4.640 0.006 0.000 0.312 42 D C -2.211 173.939 176.300 -0.249 0.000 1.202 42 D CA -1.399 52.493 54.000 -0.180 0.000 0.825 42 D CB 1.780 42.504 40.800 -0.126 0.000 1.113 42 D HN 0.112 nan 8.370 nan 0.000 0.502 43 P HA -0.037 nan 4.420 nan 0.000 0.220 43 P C 1.558 178.647 177.300 -0.352 0.000 1.152 43 P CA 0.663 63.615 63.100 -0.246 0.000 0.812 43 P CB 0.545 32.135 31.700 -0.183 0.000 0.792 44 S N -0.030 115.323 115.700 -0.577 0.000 2.368 44 S HA -0.123 4.350 4.470 0.006 0.000 0.225 44 S C 2.079 176.182 174.600 -0.829 0.000 1.030 44 S CA 1.335 59.006 58.200 -0.881 0.000 0.999 44 S CB -1.078 61.136 63.200 -1.642 0.000 0.844 44 S HN 0.148 nan 8.310 nan 0.000 0.459 45 A N 1.328 123.743 122.820 -0.675 0.000 1.908 45 A HA -0.250 4.074 4.320 0.006 0.000 0.218 45 A C 2.109 179.622 177.584 -0.120 0.000 1.181 45 A CA 2.001 53.921 52.037 -0.194 0.000 0.627 45 A CB -0.740 18.213 19.000 -0.078 0.000 0.818 45 A HN 0.607 nan 8.150 nan 0.000 0.445 46 Q N -0.639 119.057 119.800 -0.175 0.000 2.049 46 Q HA 0.006 4.349 4.340 0.006 0.000 0.198 46 Q C 2.136 178.069 176.000 -0.112 0.000 0.971 46 Q CA 1.614 57.341 55.803 -0.126 0.000 0.833 46 Q CB -0.433 28.219 28.738 -0.143 0.000 0.896 46 Q HN 0.530 nan 8.270 nan 0.000 0.434 47 A N 0.454 123.185 122.820 -0.148 0.000 1.873 47 A HA -0.248 4.076 4.320 0.006 0.000 0.218 47 A C 2.328 179.882 177.584 -0.051 0.000 1.193 47 A CA 2.093 54.061 52.037 -0.115 0.000 0.629 47 A CB -1.088 17.824 19.000 -0.146 0.000 0.826 47 A HN 0.483 nan 8.150 nan 0.000 0.447 48 S N -0.956 114.734 115.700 -0.016 0.000 2.370 48 S HA -0.215 4.259 4.470 0.006 0.000 0.226 48 S C 2.052 176.696 174.600 0.072 0.000 1.033 48 S CA 1.774 60.028 58.200 0.089 0.000 1.011 48 S CB -0.416 62.915 63.200 0.218 0.000 0.852 48 S HN 0.695 nan 8.310 nan 0.000 0.457 49 M N 1.120 120.745 119.600 0.042 0.000 2.099 49 M HA -0.092 4.392 4.480 0.006 0.000 0.262 49 M C 1.943 178.250 176.300 0.012 0.000 1.067 49 M CA 1.460 56.783 55.300 0.038 0.000 1.124 49 M CB -0.186 32.430 32.600 0.028 0.000 1.353 49 M HN 0.078 nan 8.290 nan 0.000 0.410 50 R N 1.025 121.509 120.500 -0.026 0.000 2.092 50 R HA -0.137 4.207 4.340 0.006 0.000 0.231 50 R C 2.189 178.474 176.300 -0.024 0.000 1.119 50 R CA 1.734 57.803 56.100 -0.052 0.000 0.970 50 R CB -1.025 29.222 30.300 -0.088 0.000 0.864 50 R HN 0.550 nan 8.270 nan 0.000 0.440 51 K N 0.921 121.318 120.400 -0.006 0.000 2.103 51 K HA -0.089 4.234 4.320 0.006 0.000 0.207 51 K C 1.933 178.565 176.600 0.053 0.000 1.048 51 K CA 1.170 57.470 56.287 0.021 0.000 0.930 51 K CB -0.011 32.513 32.500 0.039 0.000 0.716 51 K HN 0.025 nan 8.250 nan 0.000 0.444 52 I N 1.284 121.895 120.570 0.069 0.000 2.439 52 I HA -0.198 3.975 4.170 0.006 0.000 0.251 52 I C 1.959 178.101 176.117 0.042 0.000 1.139 52 I CA 1.070 62.429 61.300 0.099 0.000 1.438 52 I CB -0.625 37.433 38.000 0.096 0.000 1.085 52 I HN 0.217 nan 8.210 nan 0.000 0.427 53 K N 1.327 121.751 120.400 0.040 0.000 2.057 53 K HA -0.068 4.256 4.320 0.006 0.000 0.206 53 K C 2.228 178.920 176.600 0.153 0.000 1.050 53 K CA 1.420 57.759 56.287 0.087 0.000 0.935 53 K CB -0.473 32.001 32.500 -0.045 0.000 0.715 53 K HN 0.255 nan 8.250 nan 0.000 0.439 54 A N 2.455 125.315 122.820 0.066 0.000 1.883 54 A HA -0.218 4.106 4.320 0.006 0.000 0.217 54 A C 2.023 179.598 177.584 -0.016 0.000 1.186 54 A CA 2.047 54.115 52.037 0.052 0.000 0.624 54 A CB -0.466 18.551 19.000 0.029 0.000 0.822 54 A HN 0.572 nan 8.150 nan 0.000 0.444 55 E N -0.532 119.636 120.200 -0.053 0.000 2.481 55 E HA 0.096 4.449 4.350 0.006 0.000 0.195 55 E C 1.537 177.897 176.600 -0.399 0.000 1.047 55 E CA 0.641 56.987 56.400 -0.090 0.000 0.867 55 E CB -0.361 29.372 29.700 0.055 0.000 0.858 55 E HN 0.417 nan 8.360 nan 0.000 0.513 56 G N 0.776 109.153 108.800 -0.704 0.000 2.650 56 G HA2 0.146 4.109 3.960 0.006 0.000 0.214 56 G HA3 0.146 4.109 3.960 0.006 0.000 0.214 56 G C 1.133 175.622 174.900 -0.685 0.000 1.136 56 G CA 0.264 44.541 45.100 -1.371 0.000 0.789 56 G HN 0.551 nan 8.290 nan 0.000 0.536 57 G N -1.838 106.723 108.800 -0.398 0.000 2.205 57 G HA2 -0.193 3.770 3.960 0.006 0.000 0.180 57 G HA3 -0.193 3.770 3.960 0.006 0.000 0.180 57 G C 0.037 174.725 174.900 -0.353 0.000 1.004 57 G CA -0.454 44.437 45.100 -0.348 0.000 0.670 57 G HN 0.253 nan 8.290 nan 0.000 0.496 58 W N 2.154 123.390 121.300 -0.107 0.000 2.446 58 W HA 0.578 5.241 4.660 0.005 0.000 0.316 58 W C 1.414 177.932 176.519 -0.002 0.000 1.376 58 W CA 0.304 57.644 57.345 -0.008 0.000 1.300 58 W CB 0.886 30.332 29.460 -0.023 0.000 1.351 58 W HN 0.051 nan 8.180 nan 0.000 0.530 59 S N 2.594 118.425 115.700 0.219 0.000 2.368 59 S HA -0.034 4.439 4.470 0.006 0.000 0.225 59 S C 0.881 175.520 174.600 0.065 0.000 1.030 59 S CA 1.197 59.480 58.200 0.138 0.000 0.999 59 S CB -0.138 63.159 63.200 0.162 0.000 0.844 59 S HN 0.501 nan 8.310 nan 0.000 0.459 60 A N 1.081 123.890 122.820 -0.020 0.000 2.330 60 A HA 0.676 5.000 4.320 0.006 0.000 0.327 60 A C -0.854 176.604 177.584 -0.211 0.000 1.155 60 A CA -0.457 51.455 52.037 -0.208 0.000 0.803 60 A CB 1.227 19.915 19.000 -0.520 0.000 1.208 60 A HN 0.114 nan 8.150 nan 0.000 0.477 61 V N 1.959 121.785 119.914 -0.147 0.000 2.444 61 V HA 0.312 4.436 4.120 0.006 0.000 0.294 61 V C -0.287 175.733 176.094 -0.124 0.000 1.022 61 V CA -0.554 61.663 62.300 -0.138 0.000 0.850 61 V CB 1.099 32.871 31.823 -0.086 0.000 0.992 61 V HN 1.044 nan 8.190 nan 0.000 0.426 62 C N 3.584 122.793 119.300 -0.151 0.000 2.364 62 C HA 0.722 5.185 4.460 0.006 0.000 0.356 62 C C 1.101 175.976 174.990 -0.192 0.000 1.201 62 C CA -0.518 58.433 59.018 -0.112 0.000 2.227 62 C CB 1.313 29.006 27.740 -0.079 0.000 2.387 62 C HN 0.975 nan 8.230 nan 0.000 0.546 63 T N -0.130 114.319 114.554 -0.176 0.000 2.847 63 T HA 0.373 4.726 4.350 0.006 0.000 0.279 63 T C 0.240 174.756 174.700 -0.308 0.000 0.984 63 T CA -0.457 61.506 62.100 -0.229 0.000 0.988 63 T CB 0.713 69.458 68.868 -0.205 0.000 1.040 63 T HN 0.828 nan 8.240 nan 0.000 0.528 64 E N 1.205 121.215 120.200 -0.316 0.000 2.569 64 E HA 0.006 4.359 4.350 0.006 0.000 0.258 64 E C 0.109 176.497 176.600 -0.353 0.000 1.390 64 E CA -0.593 55.608 56.400 -0.331 0.000 1.049 64 E CB 0.235 29.770 29.700 -0.275 0.000 1.009 64 E HN 0.852 nan 8.360 nan 0.000 0.580 65 Q N -0.669 118.890 119.800 -0.402 0.000 2.474 65 Q HA 0.335 4.679 4.340 0.006 0.000 0.256 65 Q C -0.667 175.169 176.000 -0.273 0.000 1.048 65 Q CA -0.541 55.007 55.803 -0.425 0.000 0.922 65 Q CB 0.818 29.244 28.738 -0.520 0.000 1.288 65 Q HN 0.286 nan 8.270 nan 0.000 0.484 66 V N 1.532 121.314 119.914 -0.220 0.000 2.488 66 V HA 0.178 4.301 4.120 0.006 0.000 0.293 66 V C -0.789 175.271 176.094 -0.056 0.000 1.027 66 V CA -0.870 61.344 62.300 -0.143 0.000 0.862 66 V CB 1.363 33.082 31.823 -0.173 0.000 1.008 66 V HN 0.857 nan 8.190 nan 0.000 0.428 67 E N 4.087 124.298 120.200 0.019 0.000 2.417 67 E HA 0.085 4.439 4.350 0.006 0.000 0.261 67 E C 1.074 177.821 176.600 0.245 0.000 1.000 67 E CA 0.024 56.511 56.400 0.146 0.000 0.919 67 E CB 1.051 30.949 29.700 0.329 0.000 0.955 67 E HN 0.815 nan 8.360 nan 0.000 0.455 68 I N -0.160 120.520 120.570 0.182 0.000 3.419 68 I HA 0.127 4.300 4.170 0.006 0.000 0.286 68 I C 0.709 176.958 176.117 0.220 0.000 1.268 68 I CA 0.580 62.001 61.300 0.202 0.000 1.414 68 I CB 0.210 38.300 38.000 0.150 0.000 1.074 68 I HN 0.433 nan 8.210 nan 0.000 0.457 69 H N 0.289 119.268 119.070 -0.152 0.000 3.037 69 H HA 0.461 5.021 4.556 0.006 0.000 0.355 69 H C 0.082 174.678 175.328 -1.220 0.000 1.263 69 H CA 0.026 55.671 56.048 -0.671 0.000 1.129 69 H CB 2.526 31.945 29.762 -0.572 0.000 1.861 69 H HN -0.033 nan 8.280 nan 0.000 0.546 70 A N 1.572 123.189 122.820 -2.006 0.000 2.121 70 A HA -0.098 4.225 4.320 0.006 0.000 0.218 70 A C 1.749 178.825 177.584 -0.847 0.000 1.154 70 A CA 1.581 52.493 52.037 -1.874 0.000 0.679 70 A CB -0.746 17.279 19.000 -1.626 0.000 0.795 70 A HN 0.695 nan 8.150 nan 0.000 0.458 71 T N -3.753 110.519 114.554 -0.470 0.000 3.215 71 T HA 0.127 4.480 4.350 0.006 0.000 0.254 71 T C 0.969 175.592 174.700 -0.128 0.000 1.149 71 T CA 1.028 63.074 62.100 -0.090 0.000 1.042 71 T CB -0.066 68.928 68.868 0.211 0.000 0.966 71 T HN 0.190 nan 8.240 nan 0.000 0.534 72 S N 1.303 116.799 115.700 -0.340 0.000 2.624 72 S HA 0.237 4.710 4.470 0.006 0.000 0.246 72 S C -0.323 174.217 174.600 -0.100 0.000 1.072 72 S CA -0.703 57.271 58.200 -0.378 0.000 1.045 72 S CB -0.459 62.348 63.200 -0.656 0.000 0.851 72 S HN 0.599 nan 8.310 nan 0.000 0.480 73 D N 2.015 122.381 120.400 -0.057 0.000 2.346 73 D HA 0.097 4.740 4.640 0.006 0.000 0.260 73 D C 0.838 177.190 176.300 0.086 0.000 1.252 73 D CA -0.125 53.928 54.000 0.088 0.000 0.895 73 D CB 0.324 41.163 40.800 0.065 0.000 1.097 73 D HN 0.527 nan 8.370 nan 0.000 0.489 74 I N 1.516 122.163 120.570 0.127 0.000 3.856 74 I HA 0.455 4.629 4.170 0.006 0.000 0.333 74 I C 0.739 176.987 176.117 0.220 0.000 1.525 74 I CA -0.977 60.415 61.300 0.153 0.000 1.173 74 I CB -0.053 38.016 38.000 0.115 0.000 1.175 74 I HN 0.282 nan 8.210 nan 0.000 0.424 75 A N 3.297 126.211 122.820 0.157 0.000 2.624 75 A HA 0.085 4.409 4.320 0.006 0.000 0.231 75 A C -0.805 176.777 177.584 -0.004 0.000 1.034 75 A CA -0.342 51.748 52.037 0.088 0.000 0.754 75 A CB -0.367 18.678 19.000 0.075 0.000 0.953 75 A HN 0.435 nan 8.150 nan 0.000 0.509 76 P HA -0.040 nan 4.420 nan 0.000 0.229 76 P C 0.066 177.245 177.300 -0.202 0.000 1.160 76 P CA 0.410 63.391 63.100 -0.199 0.000 0.777 76 P CB -0.111 31.401 31.700 -0.313 0.000 0.814 77 F N 1.460 121.404 119.950 -0.011 0.000 2.623 77 F HA -0.040 4.491 4.527 0.005 0.000 0.383 77 F C 1.576 177.352 175.800 -0.040 0.000 1.077 77 F CA 0.373 58.355 58.000 -0.029 0.000 1.268 77 F CB -0.312 38.671 39.000 -0.028 0.000 1.053 77 F HN -0.138 nan 8.300 nan 0.000 0.571 78 I N 4.399 124.999 120.570 0.051 0.000 2.361 78 I HA 0.251 4.425 4.170 0.006 0.000 0.282 78 I C 0.072 176.083 176.117 -0.177 0.000 1.075 78 I CA -0.403 60.771 61.300 -0.210 0.000 1.205 78 I CB 0.204 37.924 38.000 -0.467 0.000 1.406 78 I HN 0.534 nan 8.210 nan 0.000 0.481 79 E N 4.716 124.872 120.200 -0.072 0.000 2.664 79 E HA 0.602 4.956 4.350 0.006 0.000 0.245 79 E C -0.084 176.480 176.600 -0.060 0.000 1.016 79 E CA -0.995 55.352 56.400 -0.088 0.000 0.963 79 E CB 1.545 31.194 29.700 -0.085 0.000 1.360 79 E HN 0.334 nan 8.360 nan 0.000 0.472 80 L N 0.492 121.658 121.223 -0.094 0.000 2.439 80 L HA 0.408 4.751 4.340 0.006 0.000 0.259 80 L C 0.497 177.308 176.870 -0.099 0.000 1.129 80 L CA -0.274 54.514 54.840 -0.087 0.000 0.803 80 L CB 0.591 42.569 42.059 -0.134 0.000 1.161 80 L HN 0.145 nan 8.230 nan 0.000 0.462 81 R N 1.371 121.769 120.500 -0.171 0.000 2.725 81 R HA 0.546 4.890 4.340 0.006 0.000 0.277 81 R C -0.968 175.181 176.300 -0.252 0.000 0.987 81 R CA -0.629 55.282 56.100 -0.315 0.000 0.901 81 R CB 2.404 32.251 30.300 -0.755 0.000 1.207 81 R HN 0.516 nan 8.270 nan 0.000 0.463 82 I N 2.543 123.040 120.570 -0.122 0.000 2.948 82 I HA 0.169 4.343 4.170 0.006 0.000 0.308 82 I C -0.426 175.787 176.117 0.159 0.000 1.478 82 I CA -0.271 61.014 61.300 -0.025 0.000 0.843 82 I CB 0.363 38.345 38.000 -0.029 0.000 2.100 82 I HN 0.726 nan 8.210 nan 0.000 0.625 83 W N 1.482 122.718 121.300 -0.107 0.000 2.494 83 W HA 0.227 4.890 4.660 0.005 0.000 0.286 83 W C 0.747 177.207 176.519 -0.099 0.000 1.218 83 W CA 0.244 57.510 57.345 -0.132 0.000 1.313 83 W CB -0.361 28.978 29.460 -0.202 0.000 1.105 83 W HN 0.237 nan 8.180 nan 0.000 0.561 84 D N -1.400 119.074 120.400 0.123 0.000 2.610 84 D HA 0.081 4.725 4.640 0.006 0.000 0.271 84 D C 0.449 176.764 176.300 0.026 0.000 1.174 84 D CA -0.432 53.605 54.000 0.062 0.000 0.949 84 D CB 1.499 42.322 40.800 0.037 0.000 1.430 84 D HN -0.372 nan 8.370 nan 0.000 0.467 85 D N -0.070 120.342 120.400 0.019 0.000 2.310 85 D HA -0.083 4.560 4.640 0.006 0.000 0.212 85 D C 1.416 177.709 176.300 -0.011 0.000 0.965 85 D CA 0.780 54.785 54.000 0.008 0.000 0.879 85 D CB 0.267 41.074 40.800 0.013 0.000 0.921 85 D HN 0.338 nan 8.370 nan 0.000 0.510 86 Q N 0.166 119.952 119.800 -0.023 0.000 2.364 86 Q HA -0.105 4.238 4.340 0.006 0.000 0.209 86 Q C 0.865 176.822 176.000 -0.072 0.000 0.977 86 Q CA 0.738 56.513 55.803 -0.047 0.000 0.885 86 Q CB 0.235 28.938 28.738 -0.058 0.000 0.941 86 Q HN 0.321 nan 8.270 nan 0.000 0.464 87 D N 0.007 120.360 120.400 -0.078 0.000 2.354 87 D HA 0.004 4.648 4.640 0.006 0.000 0.209 87 D C 1.765 178.030 176.300 -0.058 0.000 1.015 87 D CA 0.144 54.082 54.000 -0.103 0.000 0.867 87 D CB 0.300 41.013 40.800 -0.146 0.000 0.933 87 D HN 0.233 nan 8.370 nan 0.000 0.520 88 L N 1.168 122.373 121.223 -0.030 0.000 1.971 88 L HA -0.165 4.179 4.340 0.006 0.000 0.215 88 L C -0.472 176.392 176.870 -0.010 0.000 1.072 88 L CA 1.795 56.632 54.840 -0.005 0.000 0.758 88 L CB -1.385 40.678 42.059 0.006 0.000 0.889 88 L HN 0.019 nan 8.230 nan 0.000 0.433 89 P HA -0.207 nan 4.420 nan 0.000 0.216 89 P C 1.283 178.558 177.300 -0.042 0.000 1.150 89 P CA 1.886 64.969 63.100 -0.028 0.000 0.843 89 P CB -0.056 31.625 31.700 -0.032 0.000 0.787 90 A N -0.834 121.956 122.820 -0.051 0.000 1.873 90 A HA -0.145 4.179 4.320 0.006 0.000 0.215 90 A C 2.220 179.778 177.584 -0.043 0.000 1.186 90 A CA 1.367 53.364 52.037 -0.067 0.000 0.616 90 A CB -1.598 17.355 19.000 -0.079 0.000 0.823 90 A HN 0.109 nan 8.150 nan 0.000 0.442 91 L N -0.737 120.483 121.223 -0.005 0.000 2.046 91 L HA -0.188 4.155 4.340 0.006 0.000 0.208 91 L C 2.634 179.551 176.870 0.079 0.000 1.077 91 L CA 1.931 56.822 54.840 0.086 0.000 0.747 91 L CB -0.356 41.779 42.059 0.126 0.000 0.896 91 L HN 0.421 nan 8.230 nan 0.000 0.432 92 K N 0.222 120.628 120.400 0.010 0.000 2.057 92 K HA -0.228 4.096 4.320 0.006 0.000 0.207 92 K C 2.325 178.858 176.600 -0.111 0.000 1.049 92 K CA 1.244 57.494 56.287 -0.061 0.000 0.931 92 K CB -0.019 32.462 32.500 -0.031 0.000 0.714 92 K HN 0.069 nan 8.250 nan 0.000 0.440 93 R N 0.624 121.074 120.500 -0.084 0.000 2.103 93 R HA -0.155 4.189 4.340 0.006 0.000 0.242 93 R C 2.116 178.338 176.300 -0.131 0.000 1.142 93 R CA 1.818 57.858 56.100 -0.099 0.000 0.960 93 R CB -0.294 29.948 30.300 -0.097 0.000 0.858 93 R HN 0.200 nan 8.270 nan 0.000 0.439 94 I N 0.532 121.027 120.570 -0.125 0.000 2.179 94 I HA -0.238 3.935 4.170 0.006 0.000 0.242 94 I C 2.552 178.514 176.117 -0.258 0.000 1.088 94 I CA 1.444 62.664 61.300 -0.132 0.000 1.357 94 I CB -0.329 37.648 38.000 -0.038 0.000 1.051 94 I HN 0.304 nan 8.210 nan 0.000 0.409 95 A N 0.298 122.853 122.820 -0.441 0.000 1.902 95 A HA -0.248 4.076 4.320 0.006 0.000 0.217 95 A C 1.968 179.106 177.584 -0.744 0.000 1.181 95 A CA 2.161 53.682 52.037 -0.860 0.000 0.623 95 A CB -0.683 17.549 19.000 -1.281 0.000 0.818 95 A HN 0.349 nan 8.150 nan 0.000 0.443 96 D N 0.098 120.263 120.400 -0.392 0.000 2.104 96 D HA -0.079 4.564 4.640 0.006 0.000 0.194 96 D C 2.238 178.449 176.300 -0.148 0.000 0.994 96 D CA 1.696 55.578 54.000 -0.195 0.000 0.830 96 D CB -0.475 40.272 40.800 -0.089 0.000 0.959 96 D HN 0.422 nan 8.370 nan 0.000 0.452 97 A N 0.387 123.120 122.820 -0.146 0.000 1.933 97 A HA -0.121 4.203 4.320 0.006 0.000 0.218 97 A C 2.364 179.898 177.584 -0.083 0.000 1.175 97 A CA 0.875 52.865 52.037 -0.079 0.000 0.628 97 A CB -0.694 18.266 19.000 -0.067 0.000 0.814 97 A HN 0.208 nan 8.150 nan 0.000 0.444 98 I N -1.110 119.358 120.570 -0.170 0.000 2.226 98 I HA -0.286 3.888 4.170 0.006 0.000 0.245 98 I C 2.382 178.466 176.117 -0.055 0.000 1.100 98 I CA 1.627 62.843 61.300 -0.140 0.000 1.374 98 I CB -0.519 37.356 38.000 -0.209 0.000 1.057 98 I HN 0.467 nan 8.210 nan 0.000 0.413 99 H N 0.413 119.434 119.070 -0.082 0.000 2.326 99 H HA -0.169 4.390 4.556 0.004 0.000 0.301 99 H C 2.130 177.440 175.328 -0.031 0.000 1.081 99 H CA 1.345 57.354 56.048 -0.065 0.000 1.334 99 H CB -0.013 29.702 29.762 -0.079 0.000 1.385 99 H HN 0.439 nan 8.280 nan 0.000 0.504 100 E N 0.987 121.251 120.200 0.107 0.000 2.409 100 E HA -0.078 4.275 4.350 0.006 0.000 0.198 100 E C 2.037 178.673 176.600 0.060 0.000 1.024 100 E CA 0.917 57.359 56.400 0.071 0.000 0.861 100 E CB -0.011 29.721 29.700 0.053 0.000 0.788 100 E HN 0.465 nan 8.360 nan 0.000 0.521 101 G N 0.591 109.423 108.800 0.054 0.000 2.777 101 G HA2 0.196 4.159 3.960 0.006 0.000 0.211 101 G HA3 0.196 4.159 3.960 0.006 0.000 0.211 101 G C 1.100 176.029 174.900 0.047 0.000 1.149 101 G CA 0.113 45.244 45.100 0.051 0.000 0.785 101 G HN 0.560 nan 8.290 nan 0.000 0.536 102 G N -1.752 107.081 108.800 0.055 0.000 2.154 102 G HA2 0.176 4.139 3.960 0.006 0.000 0.186 102 G HA3 0.176 4.139 3.960 0.006 0.000 0.186 102 G C 0.421 175.353 174.900 0.054 0.000 1.000 102 G CA 0.014 45.144 45.100 0.050 0.000 0.664 102 G HN 1.096 nan 8.290 nan 0.000 0.513 103 G N -0.684 108.155 108.800 0.065 0.000 2.498 103 G HA2 0.701 4.664 3.960 0.006 0.000 0.312 103 G HA3 0.701 4.664 3.960 0.006 0.000 0.312 103 G C -0.162 174.782 174.900 0.072 0.000 1.230 103 G CA -1.073 44.061 45.100 0.057 0.000 0.968 103 G HN 0.535 nan 8.290 nan 0.000 0.481 104 L N 1.012 122.244 121.223 0.015 0.000 2.367 104 L HA 0.492 4.835 4.340 0.006 0.000 0.275 104 L C 0.841 177.677 176.870 -0.057 0.000 1.129 104 L CA -0.513 54.298 54.840 -0.047 0.000 0.839 104 L CB 1.356 43.342 42.059 -0.121 0.000 1.133 104 L HN 0.574 nan 8.230 nan 0.000 0.453 105 A N 2.777 125.564 122.820 -0.054 0.000 2.274 105 A HA 0.699 5.022 4.320 0.006 0.000 0.309 105 A C 0.192 177.850 177.584 0.123 0.000 1.226 105 A CA -0.249 51.755 52.037 -0.054 0.000 0.853 105 A CB 0.930 19.736 19.000 -0.324 0.000 1.146 105 A HN 0.765 nan 8.150 nan 0.000 0.518 106 G N 0.752 109.643 108.800 0.151 0.000 2.416 106 G HA2 0.569 4.533 3.960 0.006 0.000 0.329 106 G HA3 0.569 4.533 3.960 0.006 0.000 0.329 106 G C -0.903 174.049 174.900 0.087 0.000 1.173 106 G CA -0.446 44.763 45.100 0.181 0.000 0.929 106 G HN 0.901 nan 8.290 nan 0.000 0.475 107 I N 0.516 121.056 120.570 -0.051 0.000 2.498 107 I HA 0.443 4.616 4.170 0.006 0.000 0.290 107 I C -0.619 175.440 176.117 -0.096 0.000 1.032 107 I CA -0.823 60.269 61.300 -0.347 0.000 1.073 107 I CB 2.231 39.666 38.000 -0.942 0.000 1.251 107 I HN 0.507 nan 8.210 nan 0.000 0.426 108 E N 8.262 128.324 120.200 -0.230 0.000 2.042 108 E HA 0.323 4.676 4.350 0.006 0.000 0.260 108 E C -1.115 175.364 176.600 -0.202 0.000 0.975 108 E CA -0.609 55.629 56.400 -0.270 0.000 0.799 108 E CB 0.683 30.037 29.700 -0.577 0.000 1.131 108 E HN 0.601 nan 8.360 nan 0.000 0.423 109 L N 3.031 124.217 121.223 -0.062 0.000 2.410 109 L HA 0.366 4.710 4.340 0.006 0.000 0.273 109 L C 0.122 177.014 176.870 0.036 0.000 1.152 109 L CA -0.178 54.619 54.840 -0.072 0.000 0.855 109 L CB 0.859 42.829 42.059 -0.149 0.000 1.129 109 L HN 0.514 nan 8.230 nan 0.000 0.463 110 A N 3.184 126.027 122.820 0.037 0.000 2.427 110 A HA 0.495 4.819 4.320 0.006 0.000 0.298 110 A C -1.357 176.355 177.584 0.212 0.000 1.036 110 A CA -0.548 51.592 52.037 0.171 0.000 0.701 110 A CB 1.260 20.270 19.000 0.016 0.000 1.250 110 A HN 0.727 nan 8.150 nan 0.000 0.412 111 H N 2.231 121.447 119.070 0.245 0.000 2.551 111 H HA 0.316 4.875 4.556 0.006 0.000 0.321 111 H C -0.083 175.378 175.328 0.222 0.000 1.028 111 H CA -0.257 55.925 56.048 0.222 0.000 1.215 111 H CB 1.298 31.205 29.762 0.242 0.000 1.414 111 H HN 0.803 nan 8.280 nan 0.000 0.480 112 N N 2.552 121.337 118.700 0.143 0.000 2.467 112 N HA 0.045 4.788 4.740 0.006 0.000 0.184 112 N C 1.384 177.107 175.510 0.355 0.000 1.106 112 N CA 0.507 53.689 53.050 0.221 0.000 0.892 112 N CB 0.463 38.999 38.487 0.082 0.000 0.969 112 N HN 0.894 nan 8.380 nan 0.000 0.454 113 G N 1.836 110.973 108.800 0.563 0.000 2.627 113 G HA2 -0.463 3.500 3.960 0.006 0.000 0.312 113 G HA3 -0.463 3.500 3.960 0.006 0.000 0.312 113 G C 0.864 175.911 174.900 0.246 0.000 1.299 113 G CA 0.507 45.894 45.100 0.479 0.000 0.989 113 G HN 0.318 nan 8.290 nan 0.000 0.547 114 M N 1.561 121.214 119.600 0.088 0.000 2.617 114 M HA -0.058 4.425 4.480 0.006 0.000 0.258 114 M C 1.850 178.082 176.300 -0.113 0.000 1.067 114 M CA 2.266 57.493 55.300 -0.123 0.000 1.057 114 M CB -0.465 31.869 32.600 -0.444 0.000 1.397 114 M HN 0.638 nan 8.290 nan 0.000 0.499 115 N N -0.065 118.655 118.700 0.033 0.000 2.254 115 N HA 0.100 4.844 4.740 0.006 0.000 0.190 115 N C -0.323 175.222 175.510 0.059 0.000 1.107 115 N CA 0.011 53.103 53.050 0.070 0.000 0.869 115 N CB 0.383 38.998 38.487 0.214 0.000 0.983 115 N HN 0.273 nan 8.380 nan 0.000 0.487 116 A N 1.568 124.429 122.820 0.068 0.000 2.269 116 A HA 0.416 4.740 4.320 0.006 0.000 0.302 116 A C -1.910 175.703 177.584 0.048 0.000 1.266 116 A CA -1.363 50.704 52.037 0.049 0.000 0.894 116 A CB 0.927 19.942 19.000 0.025 0.000 1.147 116 A HN 0.154 nan 8.150 nan 0.000 0.537 117 P HA -0.019 nan 4.420 nan 0.000 0.231 117 P C -0.169 177.149 177.300 0.031 0.000 1.168 117 P CA 0.216 63.341 63.100 0.043 0.000 0.779 117 P CB 0.050 31.780 31.700 0.049 0.000 0.844 118 N N -0.393 118.323 118.700 0.028 0.000 2.738 118 N HA -0.185 4.558 4.740 0.006 0.000 0.249 118 N C 0.532 176.048 175.510 0.010 0.000 1.047 118 N CA 0.575 53.630 53.050 0.008 0.000 0.707 118 N CB -1.740 36.740 38.487 -0.011 0.000 0.937 118 N HN 0.428 nan 8.380 nan 0.000 0.545 119 Q N -0.262 119.551 119.800 0.021 0.000 2.311 119 Q HA 0.071 4.414 4.340 0.006 0.000 0.203 119 Q C 2.145 178.152 176.000 0.011 0.000 0.954 119 Q CA 0.772 56.583 55.803 0.013 0.000 0.885 119 Q CB 0.397 29.141 28.738 0.010 0.000 0.963 119 Q HN 0.603 nan 8.270 nan 0.000 0.471 120 L N -0.230 121.006 121.223 0.023 0.000 2.286 120 L HA -0.019 4.324 4.340 0.006 0.000 0.203 120 L C 2.225 179.103 176.870 0.013 0.000 1.068 120 L CA 0.865 55.722 54.840 0.027 0.000 0.811 120 L CB 0.025 42.119 42.059 0.058 0.000 0.989 120 L HN 0.148 nan 8.230 nan 0.000 0.467 121 S N -0.715 114.982 115.700 -0.006 0.000 2.470 121 S HA -0.044 4.430 4.470 0.006 0.000 0.225 121 S C 1.226 175.785 174.600 -0.068 0.000 1.006 121 S CA 0.301 58.462 58.200 -0.066 0.000 0.934 121 S CB -0.150 62.945 63.200 -0.175 0.000 0.778 121 S HN 0.524 nan 8.310 nan 0.000 0.517 122 R N 0.423 120.898 120.500 -0.041 0.000 4.000 122 R HA -0.112 4.232 4.340 0.006 0.000 0.362 122 R C -0.819 175.460 176.300 -0.034 0.000 1.183 122 R CA 1.202 57.285 56.100 -0.029 0.000 1.011 122 R CB -1.962 28.325 30.300 -0.023 0.000 1.501 122 R HN 0.525 nan 8.270 nan 0.000 0.553 123 E N 1.061 121.227 120.200 -0.057 0.000 2.392 123 E HA 0.100 4.454 4.350 0.006 0.000 0.259 123 E C 0.336 176.934 176.600 -0.003 0.000 1.108 123 E CA 0.140 56.513 56.400 -0.045 0.000 0.916 123 E CB 0.513 30.158 29.700 -0.092 0.000 0.989 123 E HN -0.015 nan 8.360 nan 0.000 0.432 124 T N 3.780 118.347 114.554 0.023 0.000 2.814 124 T HA 0.236 4.590 4.350 0.006 0.000 0.297 124 T C -2.199 172.543 174.700 0.071 0.000 0.956 124 T CA -1.114 61.014 62.100 0.046 0.000 1.123 124 T CB 0.576 69.479 68.868 0.058 0.000 0.902 124 T HN 0.145 nan 8.240 nan 0.000 0.528 125 P HA 0.314 nan 4.420 nan 0.000 0.275 125 P C -0.786 176.577 177.300 0.105 0.000 1.228 125 P CA -0.386 62.772 63.100 0.096 0.000 0.786 125 P CB 0.523 32.264 31.700 0.068 0.000 0.927 126 L N 2.173 123.485 121.223 0.147 0.000 2.333 126 L HA 0.796 5.140 4.340 0.006 0.000 0.280 126 L C 0.773 177.709 176.870 0.110 0.000 1.004 126 L CA -0.124 54.785 54.840 0.116 0.000 0.820 126 L CB 1.859 43.994 42.059 0.126 0.000 1.247 126 L HN 0.506 nan 8.230 nan 0.000 0.416 127 G N 1.933 110.767 108.800 0.056 0.000 2.788 127 G HA2 0.527 4.491 3.960 0.006 0.000 0.293 127 G HA3 0.527 4.491 3.960 0.006 0.000 0.293 127 G C -2.618 172.255 174.900 -0.045 0.000 1.392 127 G CA -0.725 44.401 45.100 0.042 0.000 0.810 127 G HN 0.309 nan 8.290 nan 0.000 0.508 128 P HA 0.153 nan 4.420 nan 0.000 0.221 128 P C 0.895 178.010 177.300 -0.309 0.000 1.150 128 P CA 1.336 64.098 63.100 -0.564 0.000 0.800 128 P CB 0.399 31.531 31.700 -0.946 0.000 0.787 129 G N -1.712 106.949 108.800 -0.231 0.000 2.733 129 G HA2 0.349 4.313 3.960 0.006 0.000 0.288 129 G HA3 0.349 4.313 3.960 0.006 0.000 0.288 129 G C -1.367 173.396 174.900 -0.229 0.000 1.373 129 G CA -0.454 44.512 45.100 -0.224 0.000 0.895 129 G HN -0.027 nan 8.290 nan 0.000 0.479 130 H N 0.696 119.760 119.070 -0.010 0.000 3.067 130 H HA 0.389 4.948 4.556 0.006 0.000 0.265 130 H C -0.303 175.027 175.328 0.003 0.000 1.234 130 H CA 0.409 56.457 56.048 -0.001 0.000 1.452 130 H CB 0.134 29.897 29.762 0.002 0.000 1.527 130 H HN 0.041 nan 8.280 nan 0.000 0.486 131 L N 4.103 125.380 121.223 0.089 0.000 2.424 131 L HA 0.324 4.668 4.340 0.006 0.000 0.258 131 L C -2.464 174.435 176.870 0.048 0.000 0.995 131 L CA -2.220 52.658 54.840 0.064 0.000 0.821 131 L CB 3.108 45.199 42.059 0.053 0.000 1.383 131 L HN 0.250 nan 8.230 nan 0.000 0.410 132 P HA -0.016 nan 4.420 nan 0.000 0.264 132 P C -0.182 177.136 177.300 0.030 0.000 1.183 132 P CA -0.042 63.083 63.100 0.041 0.000 0.763 132 P CB 0.502 32.230 31.700 0.046 0.000 0.807 133 V N 3.084 123.012 119.914 0.023 0.000 2.752 133 V HA 0.236 4.360 4.120 0.006 0.000 0.306 133 V C 0.646 176.751 176.094 0.018 0.000 1.099 133 V CA 1.944 64.249 62.300 0.009 0.000 1.240 133 V CB -0.568 31.271 31.823 0.026 0.000 0.887 133 V HN 0.864 nan 8.190 nan 0.000 0.499 134 A N 7.087 129.897 122.820 -0.018 0.000 2.569 134 A HA 0.763 5.087 4.320 0.006 0.000 0.292 134 A C -3.105 174.463 177.584 -0.027 0.000 1.032 134 A CA -0.950 51.103 52.037 0.027 0.000 0.669 134 A CB 1.557 20.611 19.000 0.090 0.000 1.290 134 A HN 0.554 nan 8.150 nan 0.000 0.422 135 P HA 0.591 nan 4.420 nan 0.000 0.301 135 P C -0.902 176.536 177.300 0.231 0.000 1.309 135 P CA 0.415 63.632 63.100 0.195 0.000 0.782 135 P CB 0.405 32.246 31.700 0.235 0.000 1.282 136 D N -3.293 117.245 120.400 0.231 0.000 2.947 136 D HA -0.107 4.536 4.640 0.006 0.000 0.224 136 D C -0.345 176.085 176.300 0.217 0.000 1.132 136 D CA 1.507 55.667 54.000 0.268 0.000 0.801 136 D CB -2.024 39.025 40.800 0.415 0.000 1.097 136 D HN 0.580 nan 8.370 nan 0.000 0.431 137 T N -1.122 113.528 114.554 0.160 0.000 2.977 137 T HA 0.559 4.913 4.350 0.006 0.000 0.345 137 T C -0.217 174.538 174.700 0.092 0.000 1.562 137 T CA -0.561 61.616 62.100 0.128 0.000 1.090 137 T CB 0.950 69.892 68.868 0.124 0.000 1.383 137 T HN 0.199 nan 8.240 nan 0.000 0.484 138 I N 1.337 121.948 120.570 0.068 0.000 3.658 138 I HA 0.776 4.950 4.170 0.006 0.000 0.328 138 I C 0.703 176.842 176.117 0.037 0.000 1.567 138 I CA -0.895 60.435 61.300 0.051 0.000 1.078 138 I CB 0.255 38.280 38.000 0.042 0.000 1.267 138 I HN 0.603 nan 8.210 nan 0.000 0.495 139 A N 2.745 125.589 122.820 0.040 0.000 2.531 139 A HA 0.403 4.726 4.320 0.006 0.000 0.236 139 A C -1.921 175.678 177.584 0.026 0.000 1.062 139 A CA -0.689 51.365 52.037 0.029 0.000 0.760 139 A CB -0.543 18.477 19.000 0.033 0.000 0.995 139 A HN 0.348 nan 8.150 nan 0.000 0.501 140 P HA 0.309 nan 4.420 nan 0.000 0.220 140 P C -0.828 176.482 177.300 0.018 0.000 1.778 140 P CA 0.283 63.393 63.100 0.016 0.000 0.912 140 P CB -0.535 31.171 31.700 0.010 0.000 1.861 141 I N -1.225 119.359 120.570 0.023 0.000 2.722 141 I HA 0.356 4.529 4.170 0.006 0.000 0.295 141 I C -1.254 174.882 176.117 0.031 0.000 1.161 141 I CA -1.148 60.167 61.300 0.025 0.000 1.032 141 I CB 2.489 40.504 38.000 0.024 0.000 1.244 141 I HN -0.151 nan 8.210 nan 0.000 0.421 142 Q N 4.439 124.260 119.800 0.035 0.000 2.266 142 Q HA 0.812 5.156 4.340 0.006 0.000 0.261 142 Q C -0.644 175.387 176.000 0.051 0.000 0.985 142 Q CA -1.078 54.752 55.803 0.045 0.000 0.873 142 Q CB 1.960 30.730 28.738 0.053 0.000 1.306 142 Q HN 0.856 nan 8.270 nan 0.000 0.447 143 A N 2.298 125.146 122.820 0.046 0.000 2.351 143 A HA 0.352 4.676 4.320 0.006 0.000 0.257 143 A C -0.347 177.284 177.584 0.078 0.000 1.087 143 A CA -0.233 51.831 52.037 0.045 0.000 0.798 143 A CB 0.535 19.539 19.000 0.007 0.000 1.033 143 A HN 0.734 nan 8.150 nan 0.000 0.488 144 R N 1.362 121.909 120.500 0.078 0.000 2.428 144 R HA 0.534 4.878 4.340 0.006 0.000 0.294 144 R C -0.036 176.232 176.300 -0.053 0.000 1.000 144 R CA -0.249 55.918 56.100 0.112 0.000 0.960 144 R CB 1.088 31.458 30.300 0.117 0.000 1.076 144 R HN 0.858 nan 8.270 nan 0.000 0.475 145 A N 5.406 128.022 122.820 -0.340 0.000 2.454 145 A HA 0.175 4.498 4.320 0.006 0.000 0.260 145 A C 0.283 177.777 177.584 -0.149 0.000 1.106 145 A CA -0.097 51.694 52.037 -0.411 0.000 0.780 145 A CB 0.163 18.671 19.000 -0.821 0.000 1.044 145 A HN 0.792 nan 8.150 nan 0.000 0.498 146 M N 2.526 122.083 119.600 -0.072 0.000 2.238 146 M HA 0.186 4.669 4.480 0.006 0.000 0.347 146 M C 1.157 177.436 176.300 -0.035 0.000 1.173 146 M CA 0.198 55.481 55.300 -0.028 0.000 1.147 146 M CB 0.786 33.394 32.600 0.013 0.000 1.547 146 M HN 0.903 nan 8.290 nan 0.000 0.455 147 T N -0.535 113.994 114.554 -0.041 0.000 2.849 147 T HA 0.372 4.725 4.350 0.006 0.000 0.276 147 T C 1.079 175.739 174.700 -0.067 0.000 0.971 147 T CA -1.025 61.059 62.100 -0.028 0.000 0.949 147 T CB 0.960 69.818 68.868 -0.017 0.000 1.093 147 T HN 0.544 nan 8.240 nan 0.000 0.545 148 K N 0.025 120.409 120.400 -0.026 0.000 2.063 148 K HA -0.123 4.200 4.320 0.006 0.000 0.208 148 K C 2.292 178.837 176.600 -0.091 0.000 1.048 148 K CA 1.219 57.488 56.287 -0.030 0.000 0.928 148 K CB -0.464 32.067 32.500 0.051 0.000 0.713 148 K HN 0.476 nan 8.250 nan 0.000 0.442 149 Q N 1.284 121.039 119.800 -0.075 0.000 2.084 149 Q HA -0.134 4.210 4.340 0.006 0.000 0.202 149 Q C 1.707 177.608 176.000 -0.165 0.000 0.978 149 Q CA 1.390 57.135 55.803 -0.097 0.000 0.844 149 Q CB -0.253 28.450 28.738 -0.057 0.000 0.898 149 Q HN 0.324 nan 8.270 nan 0.000 0.426 150 D N 0.000 120.303 120.400 -0.162 0.000 2.117 150 D HA -0.110 4.533 4.640 0.006 0.000 0.197 150 D C 2.046 178.123 176.300 -0.372 0.000 0.987 150 D CA 0.755 54.618 54.000 -0.229 0.000 0.829 150 D CB -0.121 40.598 40.800 -0.136 0.000 0.961 150 D HN 0.285 nan 8.370 nan 0.000 0.460 151 I N 1.304 121.665 120.570 -0.349 0.000 2.286 151 I HA -0.239 3.934 4.170 0.006 0.000 0.248 151 I C 1.825 177.692 176.117 -0.417 0.000 1.115 151 I CA 1.005 62.031 61.300 -0.458 0.000 1.392 151 I CB -0.100 37.528 38.000 -0.620 0.000 1.065 151 I HN -0.150 nan 8.210 nan 0.000 0.418 152 D N 0.672 120.879 120.400 -0.321 0.000 2.144 152 D HA -0.155 4.489 4.640 0.006 0.000 0.200 152 D C 1.762 177.814 176.300 -0.414 0.000 0.978 152 D CA 1.080 54.912 54.000 -0.280 0.000 0.833 152 D CB -0.287 40.406 40.800 -0.179 0.000 0.961 152 D HN 0.272 nan 8.370 nan 0.000 0.470 153 D N 0.238 120.299 120.400 -0.565 0.000 2.084 153 D HA -0.122 4.522 4.640 0.006 0.000 0.194 153 D C 2.153 177.464 176.300 -1.649 0.000 0.990 153 D CA 0.341 53.767 54.000 -0.957 0.000 0.826 153 D CB -0.427 39.860 40.800 -0.856 0.000 0.971 153 D HN 0.118 nan 8.370 nan 0.000 0.453 154 L N 1.119 121.520 121.223 -1.370 0.000 2.043 154 L HA -0.189 4.155 4.340 0.006 0.000 0.212 154 L C 2.152 178.717 176.870 -0.507 0.000 1.075 154 L CA 1.761 55.998 54.840 -1.004 0.000 0.752 154 L CB -0.225 41.462 42.059 -0.620 0.000 0.891 154 L HN -0.101 nan 8.230 nan 0.000 0.432 155 R N -0.967 119.281 120.500 -0.419 0.000 2.081 155 R HA -0.161 4.182 4.340 0.006 0.000 0.235 155 R C 2.510 178.736 176.300 -0.123 0.000 1.131 155 R CA 1.661 57.631 56.100 -0.216 0.000 0.960 155 R CB -0.409 29.770 30.300 -0.201 0.000 0.856 155 R HN 0.370 nan 8.270 nan 0.000 0.436 156 R N -0.060 120.303 120.500 -0.229 0.000 2.092 156 R HA -0.137 4.206 4.340 0.006 0.000 0.231 156 R C 1.679 178.026 176.300 0.079 0.000 1.119 156 R CA 1.313 57.354 56.100 -0.098 0.000 0.970 156 R CB -0.005 30.205 30.300 -0.150 0.000 0.864 156 R HN 0.266 nan 8.270 nan 0.000 0.440 157 W N -0.167 121.128 121.300 -0.009 0.000 2.381 157 W HA -0.148 4.516 4.660 0.006 0.000 0.301 157 W C 2.224 178.781 176.519 0.063 0.000 1.205 157 W CA 0.577 57.932 57.345 0.016 0.000 1.285 157 W CB -1.431 27.982 29.460 -0.078 0.000 1.133 157 W HN 0.291 nan 8.180 nan 0.000 0.521 158 H N 0.725 119.922 119.070 0.212 0.000 2.353 158 H HA -0.131 4.429 4.556 0.007 0.000 0.300 158 H C 2.298 177.688 175.328 0.104 0.000 1.090 158 H CA 2.272 58.405 56.048 0.142 0.000 1.327 158 H CB -0.028 29.775 29.762 0.069 0.000 1.383 158 H HN 0.075 nan 8.280 nan 0.000 0.508 159 R N 0.131 120.767 120.500 0.227 0.000 2.096 159 R HA -0.111 4.233 4.340 0.006 0.000 0.235 159 R C 2.108 178.478 176.300 0.117 0.000 1.127 159 R CA 1.477 57.669 56.100 0.154 0.000 0.968 159 R CB 0.093 30.451 30.300 0.096 0.000 0.861 159 R HN 0.315 nan 8.270 nan 0.000 0.440 160 N N 0.603 119.383 118.700 0.133 0.000 2.084 160 N HA -0.153 4.591 4.740 0.006 0.000 0.190 160 N C 1.603 177.166 175.510 0.088 0.000 1.030 160 N CA 1.599 54.720 53.050 0.119 0.000 0.849 160 N CB -0.498 38.083 38.487 0.157 0.000 1.012 160 N HN 0.299 nan 8.380 nan 0.000 0.423 161 A N 0.854 123.719 122.820 0.075 0.000 1.908 161 A HA -0.097 4.227 4.320 0.006 0.000 0.218 161 A C 2.533 180.110 177.584 -0.010 0.000 1.181 161 A CA 1.405 53.451 52.037 0.014 0.000 0.627 161 A CB -0.828 18.144 19.000 -0.048 0.000 0.818 161 A HN 0.113 nan 8.150 nan 0.000 0.445 162 V N -0.110 119.804 119.914 0.000 0.000 2.295 162 V HA -0.267 3.856 4.120 0.006 0.000 0.246 162 V C 2.618 178.744 176.094 0.055 0.000 1.049 162 V CA 2.229 64.548 62.300 0.033 0.000 1.024 162 V CB -0.805 31.069 31.823 0.086 0.000 0.648 162 V HN 0.599 nan 8.190 nan 0.000 0.447 163 R N 0.012 120.550 120.500 0.062 0.000 2.112 163 R HA -0.214 4.130 4.340 0.006 0.000 0.242 163 R C 2.574 178.913 176.300 0.064 0.000 1.137 163 R CA 2.102 58.240 56.100 0.064 0.000 0.944 163 R CB -0.270 30.068 30.300 0.063 0.000 0.857 163 R HN 0.456 nan 8.270 nan 0.000 0.435 164 R N -0.357 120.177 120.500 0.058 0.000 2.120 164 R HA -0.055 4.288 4.340 0.006 0.000 0.234 164 R C 2.319 178.665 176.300 0.077 0.000 1.123 164 R CA 1.524 57.659 56.100 0.058 0.000 0.975 164 R CB -0.140 30.188 30.300 0.046 0.000 0.866 164 R HN 0.225 nan 8.270 nan 0.000 0.446 165 S N 0.883 116.623 115.700 0.067 0.000 2.383 165 S HA -0.056 4.417 4.470 0.006 0.000 0.227 165 S C 1.944 176.663 174.600 0.198 0.000 1.026 165 S CA 0.789 59.059 58.200 0.117 0.000 0.981 165 S CB -0.057 63.151 63.200 0.014 0.000 0.818 165 S HN 0.161 nan 8.310 nan 0.000 0.472 166 I N 2.042 122.692 120.570 0.133 0.000 2.202 166 I HA -0.100 4.073 4.170 0.006 0.000 0.242 166 I C 2.329 178.512 176.117 0.110 0.000 1.091 166 I CA 1.245 62.621 61.300 0.127 0.000 1.368 166 I CB -1.468 36.592 38.000 0.099 0.000 1.058 166 I HN 0.352 nan 8.210 nan 0.000 0.410 167 E N 0.850 121.105 120.200 0.092 0.000 2.209 167 E HA -0.173 4.180 4.350 0.006 0.000 0.196 167 E C 2.135 178.778 176.600 0.072 0.000 0.993 167 E CA 1.319 57.762 56.400 0.072 0.000 0.819 167 E CB -0.055 29.680 29.700 0.059 0.000 0.745 167 E HN 0.503 nan 8.360 nan 0.000 0.477 168 A N -0.344 122.541 122.820 0.108 0.000 2.132 168 A HA 0.270 4.593 4.320 0.006 0.000 0.213 168 A C 1.739 179.313 177.584 -0.017 0.000 1.154 168 A CA 0.908 52.999 52.037 0.091 0.000 0.753 168 A CB 0.209 19.339 19.000 0.217 0.000 0.826 168 A HN 0.330 nan 8.150 nan 0.000 0.469 169 G N -2.605 106.218 108.800 0.039 0.000 2.168 169 G HA2 -0.202 3.761 3.960 0.006 0.000 0.197 169 G HA3 -0.202 3.761 3.960 0.006 0.000 0.197 169 G C -0.078 174.811 174.900 -0.018 0.000 0.997 169 G CA -0.139 44.973 45.100 0.020 0.000 0.658 169 G HN 0.316 nan 8.290 nan 0.000 0.513 170 Y N 1.419 121.742 120.300 0.038 0.000 2.480 170 Y HA 0.288 4.841 4.550 0.005 0.000 0.338 170 Y C 1.565 177.456 175.900 -0.016 0.000 1.220 170 Y CA 0.787 58.884 58.100 -0.006 0.000 1.430 170 Y CB 0.628 39.074 38.460 -0.024 0.000 1.311 170 Y HN 0.106 nan 8.280 nan 0.000 0.575 171 D N 1.803 122.211 120.400 0.013 0.000 2.338 171 D HA 0.132 4.776 4.640 0.006 0.000 0.208 171 D C -0.055 176.157 176.300 -0.147 0.000 0.997 171 D CA 1.008 54.821 54.000 -0.311 0.000 0.880 171 D CB 0.699 41.002 40.800 -0.829 0.000 0.980 171 D HN 0.334 nan 8.370 nan 0.000 0.509 172 I N 1.129 121.692 120.570 -0.012 0.000 2.498 172 I HA 0.227 4.400 4.170 0.006 0.000 0.290 172 I C -0.911 175.231 176.117 0.042 0.000 1.032 172 I CA -0.776 60.525 61.300 0.001 0.000 1.073 172 I CB 3.083 41.071 38.000 -0.020 0.000 1.251 172 I HN -0.398 nan 8.210 nan 0.000 0.426 173 V N 6.202 126.113 119.914 -0.006 0.000 2.483 173 V HA 0.370 4.493 4.120 0.006 0.000 0.297 173 V C -0.838 175.244 176.094 -0.019 0.000 1.027 173 V CA -0.711 61.607 62.300 0.031 0.000 0.855 173 V CB 1.533 33.383 31.823 0.046 0.000 0.995 173 V HN 0.412 nan 8.190 nan 0.000 0.424 174 Y N 2.844 123.151 120.300 0.012 0.000 2.301 174 Y HA 0.466 5.019 4.550 0.005 0.000 0.325 174 Y C 0.429 176.399 175.900 0.116 0.000 1.203 174 Y CA -0.156 57.972 58.100 0.046 0.000 1.255 174 Y CB 1.618 40.111 38.460 0.055 0.000 1.232 174 Y HN 0.374 nan 8.280 nan 0.000 0.501 175 V N 4.399 124.457 119.914 0.239 0.000 2.407 175 V HA 0.069 4.193 4.120 0.006 0.000 0.278 175 V C -0.917 175.390 176.094 0.355 0.000 1.037 175 V CA -0.882 61.577 62.300 0.264 0.000 0.900 175 V CB 0.567 32.423 31.823 0.054 0.000 0.983 175 V HN 0.539 nan 8.190 nan 0.000 0.459 176 Y N 3.605 124.031 120.300 0.210 0.000 2.341 176 Y HA 0.661 5.215 4.550 0.007 0.000 0.340 176 Y C 0.711 176.681 175.900 0.116 0.000 0.997 176 Y CA -1.126 57.062 58.100 0.146 0.000 1.149 176 Y CB 1.574 40.088 38.460 0.090 0.000 1.171 176 Y HN 0.609 nan 8.280 nan 0.000 0.494 177 G N 4.341 112.992 108.800 -0.248 0.000 4.683 177 G HA2 0.573 4.536 3.960 0.006 0.000 0.273 177 G HA3 0.573 4.536 3.960 0.006 0.000 0.273 177 G C -0.791 173.916 174.900 -0.321 0.000 1.065 177 G CA 0.200 45.150 45.100 -0.251 0.000 0.837 177 G HN 0.868 nan 8.290 nan 0.000 0.526 178 A N -0.695 121.680 122.820 -0.742 0.000 2.387 178 A HA 0.761 5.085 4.320 0.006 0.000 0.303 178 A C 0.551 177.804 177.584 -0.551 0.000 1.145 178 A CA -0.496 51.207 52.037 -0.557 0.000 0.801 178 A CB 0.531 19.165 19.000 -0.611 0.000 1.342 178 A HN 0.804 nan 8.150 nan 0.000 0.440 179 H N -0.615 118.285 119.070 -0.284 0.000 3.211 179 H HA -0.203 4.357 4.556 0.006 0.000 0.240 179 H C 1.292 176.139 175.328 -0.803 0.000 1.148 179 H CA 1.658 57.397 56.048 -0.516 0.000 1.160 179 H CB -1.393 27.969 29.762 -0.667 0.000 1.232 179 H HN 2.332 nan 8.280 nan 0.000 0.321 180 G N -0.736 107.518 108.800 -0.910 0.000 2.168 180 G HA2 -0.400 3.564 3.960 0.006 0.000 0.263 180 G HA3 -0.400 3.564 3.960 0.006 0.000 0.263 180 G C 0.313 174.980 174.900 -0.390 0.000 0.977 180 G CA 0.812 45.279 45.100 -1.056 0.000 0.659 180 G HN 0.492 nan 8.290 nan 0.000 0.533 181 Y N 0.706 120.799 120.300 -0.345 0.000 2.524 181 Y HA 0.609 5.163 4.550 0.006 0.000 0.266 181 Y C 1.269 177.123 175.900 -0.077 0.000 1.180 181 Y CA -0.567 57.482 58.100 -0.085 0.000 1.244 181 Y CB 0.380 38.891 38.460 0.084 0.000 1.125 181 Y HN 0.333 nan 8.280 nan 0.000 0.524 182 S N -1.069 114.477 115.700 -0.256 0.000 2.536 182 S HA 0.561 5.034 4.470 0.006 0.000 0.287 182 S C 1.273 175.704 174.600 -0.281 0.000 1.101 182 S CA -0.094 58.013 58.200 -0.155 0.000 0.950 182 S CB 1.320 64.341 63.200 -0.299 0.000 1.056 182 S HN 0.385 nan 8.310 nan 0.000 0.481 183 G N 2.451 111.334 108.800 0.137 0.000 2.440 183 G HA2 -0.162 3.802 3.960 0.006 0.000 0.218 183 G HA3 -0.162 3.802 3.960 0.006 0.000 0.218 183 G C 1.322 176.389 174.900 0.278 0.000 1.154 183 G CA 1.393 46.699 45.100 0.344 0.000 0.767 183 G HN 0.736 nan 8.290 nan 0.000 0.552 184 V N 0.557 120.537 119.914 0.110 0.000 2.324 184 V HA -0.285 3.839 4.120 0.006 0.000 0.250 184 V C 2.393 178.557 176.094 0.117 0.000 1.060 184 V CA 2.485 64.836 62.300 0.085 0.000 1.042 184 V CB -0.955 30.881 31.823 0.021 0.000 0.650 184 V HN 0.724 nan 8.190 nan 0.000 0.450 185 H N -0.400 118.584 119.070 -0.142 0.000 2.423 185 H HA -0.158 4.401 4.556 0.006 0.000 0.297 185 H C 2.315 177.628 175.328 -0.026 0.000 1.075 185 H CA 1.908 57.866 56.048 -0.151 0.000 1.342 185 H CB -0.080 29.495 29.762 -0.311 0.000 1.395 185 H HN 0.636 nan 8.280 nan 0.000 0.530 186 H N -1.602 117.679 119.070 0.352 0.000 2.462 186 H HA -0.026 4.533 4.556 0.006 0.000 0.292 186 H C 1.302 176.738 175.328 0.180 0.000 1.049 186 H CA 0.893 57.095 56.048 0.257 0.000 1.334 186 H CB 0.148 29.926 29.762 0.026 0.000 1.404 186 H HN 0.336 nan 8.280 nan 0.000 0.544 187 F N -0.011 120.051 119.950 0.187 0.000 2.293 187 F HA -0.025 4.506 4.527 0.006 0.000 0.297 187 F C 2.027 177.881 175.800 0.090 0.000 1.089 187 F CA 0.612 58.687 58.000 0.126 0.000 1.377 187 F CB -0.101 38.953 39.000 0.090 0.000 1.051 187 F HN 0.071 nan 8.300 nan 0.000 0.511 188 L N -1.225 120.121 121.223 0.205 0.000 2.093 188 L HA -0.097 4.246 4.340 0.006 0.000 0.208 188 L C 1.218 178.094 176.870 0.010 0.000 1.085 188 L CA 0.674 55.555 54.840 0.069 0.000 0.755 188 L CB -0.238 41.804 42.059 -0.029 0.000 0.904 188 L HN -0.065 nan 8.230 nan 0.000 0.435 189 S N -0.744 114.973 115.700 0.029 0.000 2.489 189 S HA 0.088 4.561 4.470 0.006 0.000 0.277 189 S C 0.971 175.577 174.600 0.010 0.000 1.230 189 S CA -0.498 57.703 58.200 0.003 0.000 1.053 189 S CB 1.266 64.528 63.200 0.102 0.000 0.955 189 S HN 0.095 nan 8.310 nan 0.000 0.488 190 K N 2.945 123.320 120.400 -0.041 0.000 2.281 190 K HA -0.101 4.223 4.320 0.006 0.000 0.203 190 K C 2.190 178.729 176.600 -0.101 0.000 1.046 190 K CA 1.045 57.299 56.287 -0.055 0.000 0.938 190 K CB -0.009 32.458 32.500 -0.055 0.000 0.737 190 K HN 0.597 nan 8.250 nan 0.000 0.458 191 R N -0.570 119.821 120.500 -0.182 0.000 2.092 191 R HA -0.153 4.191 4.340 0.006 0.000 0.231 191 R C 1.118 177.125 176.300 -0.487 0.000 1.119 191 R CA 1.631 57.499 56.100 -0.388 0.000 0.970 191 R CB 0.006 29.950 30.300 -0.595 0.000 0.864 191 R HN 0.228 nan 8.270 nan 0.000 0.440 192 Y N -1.316 118.996 120.300 0.020 0.000 2.462 192 Y HA 0.276 4.830 4.550 0.006 0.000 0.253 192 Y C 0.252 176.093 175.900 -0.098 0.000 1.095 192 Y CA -0.496 57.593 58.100 -0.018 0.000 1.283 192 Y CB 0.282 38.770 38.460 0.046 0.000 1.138 192 Y HN -0.022 nan 8.280 nan 0.000 0.522 193 N N 1.183 119.893 118.700 0.015 0.000 2.501 193 N HA 0.159 4.903 4.740 0.006 0.000 0.245 193 N C -0.817 174.657 175.510 -0.060 0.000 0.974 193 N CA 0.011 53.009 53.050 -0.087 0.000 0.941 193 N CB 1.005 39.440 38.487 -0.088 0.000 1.122 193 N HN 0.158 nan 8.380 nan 0.000 0.507 194 Q N 1.558 121.319 119.800 -0.065 0.000 2.129 194 Q HA 0.315 4.659 4.340 0.006 0.000 0.274 194 Q C -0.290 175.691 176.000 -0.032 0.000 0.854 194 Q CA -0.286 55.493 55.803 -0.039 0.000 1.123 194 Q CB 0.760 29.480 28.738 -0.030 0.000 1.226 194 Q HN 0.377 nan 8.270 nan 0.000 0.454 195 R N -0.801 119.675 120.500 -0.040 0.000 2.707 195 R HA 0.278 4.621 4.340 0.006 0.000 0.270 195 R C 0.526 176.835 176.300 0.014 0.000 1.083 195 R CA 0.445 56.536 56.100 -0.015 0.000 1.182 195 R CB 0.648 30.948 30.300 0.000 0.000 1.084 195 R HN -0.009 nan 8.270 nan 0.000 0.528 196 T N 0.013 114.583 114.554 0.027 0.000 3.043 196 T HA 0.015 4.368 4.350 0.006 0.000 0.272 196 T C -0.471 174.251 174.700 0.037 0.000 0.990 196 T CA -0.166 61.950 62.100 0.027 0.000 0.897 196 T CB 0.057 68.936 68.868 0.019 0.000 1.111 196 T HN 0.699 nan 8.240 nan 0.000 0.529 197 D N 1.060 121.497 120.400 0.062 0.000 2.507 197 D HA 0.081 4.725 4.640 0.006 0.000 0.280 197 D C 1.320 177.657 176.300 0.062 0.000 1.219 197 D CA -0.487 53.555 54.000 0.071 0.000 1.085 197 D CB 0.187 41.053 40.800 0.111 0.000 1.134 197 D HN 0.313 nan 8.370 nan 0.000 0.583 198 E N -1.477 118.738 120.200 0.025 0.000 2.472 198 E HA -0.190 4.163 4.350 0.006 0.000 0.200 198 E C 0.787 177.280 176.600 -0.179 0.000 1.046 198 E CA 0.855 57.193 56.400 -0.104 0.000 0.871 198 E CB -0.577 29.000 29.700 -0.206 0.000 0.806 198 E HN 0.497 nan 8.360 nan 0.000 0.533 199 Y N 0.762 121.109 120.300 0.079 0.000 2.457 199 Y HA 0.350 4.903 4.550 0.006 0.000 0.263 199 Y C 1.095 177.088 175.900 0.154 0.000 1.164 199 Y CA 0.072 58.264 58.100 0.154 0.000 1.274 199 Y CB 1.167 39.796 38.460 0.282 0.000 1.097 199 Y HN 0.123 nan 8.280 nan 0.000 0.523 200 G N -2.207 106.703 108.800 0.182 0.000 2.733 200 G HA2 0.496 4.460 3.960 0.006 0.000 0.288 200 G HA3 0.496 4.460 3.960 0.006 0.000 0.288 200 G C 0.478 175.406 174.900 0.047 0.000 1.373 200 G CA -0.375 44.783 45.100 0.098 0.000 0.895 200 G HN 0.191 nan 8.290 nan 0.000 0.479 201 G N -1.273 107.542 108.800 0.026 0.000 2.284 201 G HA2 0.172 4.135 3.960 0.006 0.000 0.216 201 G HA3 0.172 4.135 3.960 0.006 0.000 0.216 201 G C 0.497 175.399 174.900 0.003 0.000 1.009 201 G CA 0.970 46.076 45.100 0.010 0.000 0.625 201 G HN 2.403 nan 8.290 nan 0.000 0.501 202 S N -1.015 114.689 115.700 0.006 0.000 2.567 202 S HA 0.678 5.152 4.470 0.006 0.000 0.270 202 S C 0.841 175.443 174.600 0.003 0.000 1.152 202 S CA 0.046 58.245 58.200 -0.002 0.000 0.835 202 S CB 1.169 64.364 63.200 -0.008 0.000 1.115 202 S HN 0.615 nan 8.310 nan 0.000 0.459 203 L N 1.200 122.420 121.223 -0.004 0.000 1.991 203 L HA -0.216 4.128 4.340 0.006 0.000 0.221 203 L C 2.794 179.667 176.870 0.004 0.000 1.079 203 L CA 2.359 57.197 54.840 -0.002 0.000 0.778 203 L CB -0.677 41.374 42.059 -0.014 0.000 0.893 203 L HN 0.943 nan 8.230 nan 0.000 0.437 204 E N -0.438 119.758 120.200 -0.007 0.000 2.130 204 E HA -0.257 4.096 4.350 0.006 0.000 0.196 204 E C 1.795 178.384 176.600 -0.018 0.000 0.998 204 E CA 1.593 57.985 56.400 -0.013 0.000 0.806 204 E CB -0.016 29.669 29.700 -0.024 0.000 0.738 204 E HN 0.534 nan 8.360 nan 0.000 0.459 205 N N 0.114 118.805 118.700 -0.014 0.000 2.250 205 N HA -0.060 4.684 4.740 0.006 0.000 0.181 205 N C 1.536 177.086 175.510 0.067 0.000 1.017 205 N CA 0.770 53.812 53.050 -0.014 0.000 0.866 205 N CB -0.107 38.374 38.487 -0.009 0.000 0.985 205 N HN 0.108 nan 8.380 nan 0.000 0.429 206 R N 0.543 121.093 120.500 0.085 0.000 2.193 206 R HA 0.115 4.458 4.340 0.006 0.000 0.213 206 R C 1.955 178.348 176.300 0.154 0.000 1.055 206 R CA 0.593 56.783 56.100 0.149 0.000 0.995 206 R CB -0.177 30.178 30.300 0.092 0.000 0.893 206 R HN 0.390 nan 8.270 nan 0.000 0.459 207 M N -0.604 119.049 119.600 0.088 0.000 2.556 207 M HA 0.074 4.557 4.480 0.006 0.000 0.245 207 M C 1.939 178.280 176.300 0.068 0.000 1.128 207 M CA 0.946 56.292 55.300 0.076 0.000 1.069 207 M CB 0.056 32.686 32.600 0.051 0.000 1.469 207 M HN -0.149 nan 8.290 nan 0.000 0.494 208 R N 1.010 121.546 120.500 0.060 0.000 2.094 208 R HA -0.196 4.147 4.340 0.006 0.000 0.239 208 R C 2.144 178.488 176.300 0.074 0.000 1.137 208 R CA 2.135 58.237 56.100 0.004 0.000 0.943 208 R CB -0.530 29.656 30.300 -0.190 0.000 0.850 208 R HN 0.513 nan 8.270 nan 0.000 0.433 209 L N 0.820 122.131 121.223 0.147 0.000 2.017 209 L HA -0.150 4.194 4.340 0.006 0.000 0.208 209 L C 2.112 178.946 176.870 -0.059 0.000 1.073 209 L CA 1.553 56.387 54.840 -0.010 0.000 0.745 209 L CB -0.828 41.021 42.059 -0.350 0.000 0.894 209 L HN 0.316 nan 8.230 nan 0.000 0.432 210 L N 0.165 121.381 121.223 -0.012 0.000 1.963 210 L HA -0.286 4.058 4.340 0.006 0.000 0.220 210 L C 2.774 179.638 176.870 -0.011 0.000 1.076 210 L CA 2.461 57.300 54.840 -0.001 0.000 0.772 210 L CB -0.938 41.159 42.059 0.063 0.000 0.892 210 L HN 0.429 nan 8.230 nan 0.000 0.435 211 R N -0.630 119.879 120.500 0.016 0.000 2.134 211 R HA -0.275 4.069 4.340 0.006 0.000 0.248 211 R C 2.274 178.557 176.300 -0.029 0.000 1.143 211 R CA 2.436 58.539 56.100 0.006 0.000 0.957 211 R CB -0.370 29.935 30.300 0.008 0.000 0.867 211 R HN 0.597 nan 8.270 nan 0.000 0.441 212 E N -0.071 120.106 120.200 -0.038 0.000 2.072 212 E HA -0.144 4.210 4.350 0.006 0.000 0.191 212 E C 2.079 178.618 176.600 -0.102 0.000 0.985 212 E CA 1.296 57.663 56.400 -0.055 0.000 0.801 212 E CB -0.010 29.671 29.700 -0.032 0.000 0.750 212 E HN 0.357 nan 8.360 nan 0.000 0.452 213 L N 0.482 121.611 121.223 -0.156 0.000 2.056 213 L HA -0.191 4.152 4.340 0.006 0.000 0.207 213 L C 2.334 179.085 176.870 -0.198 0.000 1.078 213 L CA 0.747 55.425 54.840 -0.270 0.000 0.749 213 L CB -0.358 41.456 42.059 -0.409 0.000 0.901 213 L HN 0.189 nan 8.230 nan 0.000 0.433 214 L N -0.365 120.782 121.223 -0.128 0.000 1.970 214 L HA -0.259 4.084 4.340 0.006 0.000 0.212 214 L C 2.589 179.418 176.870 -0.068 0.000 1.071 214 L CA 1.579 56.361 54.840 -0.097 0.000 0.751 214 L CB -0.585 41.425 42.059 -0.082 0.000 0.889 214 L HN 0.262 nan 8.230 nan 0.000 0.432 215 E N 0.002 120.171 120.200 -0.053 0.000 2.070 215 E HA -0.262 4.092 4.350 0.006 0.000 0.197 215 E C 1.835 178.417 176.600 -0.029 0.000 1.004 215 E CA 1.682 58.060 56.400 -0.035 0.000 0.805 215 E CB -0.130 29.553 29.700 -0.029 0.000 0.744 215 E HN 0.454 nan 8.360 nan 0.000 0.451 216 D N -0.322 120.055 120.400 -0.039 0.000 2.123 216 D HA -0.127 4.516 4.640 0.006 0.000 0.196 216 D C 1.958 178.264 176.300 0.011 0.000 0.992 216 D CA 1.478 55.466 54.000 -0.019 0.000 0.833 216 D CB -0.433 40.346 40.800 -0.035 0.000 0.954 216 D HN 0.137 nan 8.370 nan 0.000 0.455 217 T N 0.656 115.213 114.554 0.006 0.000 2.812 217 T HA -0.020 4.333 4.350 0.006 0.000 0.264 217 T C 2.244 176.959 174.700 0.025 0.000 1.042 217 T CA 0.437 62.566 62.100 0.048 0.000 1.140 217 T CB -0.275 68.627 68.868 0.057 0.000 0.870 217 T HN 0.092 nan 8.240 nan 0.000 0.445 218 L N 1.068 122.289 121.223 -0.004 0.000 1.989 218 L HA -0.168 4.176 4.340 0.006 0.000 0.211 218 L C 2.562 179.436 176.870 0.005 0.000 1.071 218 L CA 1.812 56.648 54.840 -0.006 0.000 0.749 218 L CB -0.628 41.419 42.059 -0.020 0.000 0.890 218 L HN 0.250 nan 8.230 nan 0.000 0.431 219 D N -0.341 120.061 120.400 0.004 0.000 2.149 219 D HA -0.259 4.384 4.640 0.006 0.000 0.198 219 D C 2.076 178.387 176.300 0.019 0.000 0.990 219 D CA 1.189 55.194 54.000 0.008 0.000 0.839 219 D CB 0.142 40.945 40.800 0.004 0.000 0.948 219 D HN 0.220 nan 8.370 nan 0.000 0.460 220 E N -0.890 119.327 120.200 0.029 0.000 2.152 220 E HA -0.058 4.295 4.350 0.006 0.000 0.192 220 E C 1.759 178.386 176.600 0.045 0.000 0.983 220 E CA 0.744 57.169 56.400 0.041 0.000 0.818 220 E CB -0.370 29.364 29.700 0.057 0.000 0.758 220 E HN 0.377 nan 8.360 nan 0.000 0.467 221 C N -0.055 119.272 119.300 0.045 0.000 2.457 221 C HA 0.306 4.770 4.460 0.006 0.000 0.278 221 C C 1.487 176.501 174.990 0.041 0.000 1.309 221 C CA 0.522 59.572 59.018 0.053 0.000 1.735 221 C CB -1.127 26.646 27.740 0.056 0.000 1.992 221 C HN 0.617 nan 8.230 nan 0.000 0.493 222 A N -0.468 122.367 122.820 0.025 0.000 2.640 222 A HA 0.095 4.419 4.320 0.006 0.000 0.300 222 A C 1.379 178.967 177.584 0.006 0.000 1.499 222 A CA 1.254 53.299 52.037 0.013 0.000 0.759 222 A CB -1.815 17.194 19.000 0.015 0.000 1.048 222 A HN 2.047 nan 8.150 nan 0.000 0.450 223 G N -1.512 107.290 108.800 0.004 0.000 2.233 223 G HA2 -0.381 3.582 3.960 0.006 0.000 0.270 223 G HA3 -0.381 3.582 3.960 0.006 0.000 0.270 223 G C 0.686 175.574 174.900 -0.020 0.000 1.011 223 G CA 1.261 46.350 45.100 -0.018 0.000 0.762 223 G HN 1.196 nan 8.290 nan 0.000 0.511 224 R N -0.333 120.189 120.500 0.037 0.000 2.312 224 R HA 0.572 4.915 4.340 0.006 0.000 0.205 224 R C 1.069 177.495 176.300 0.210 0.000 0.904 224 R CA 0.894 57.041 56.100 0.077 0.000 1.052 224 R CB 0.507 30.852 30.300 0.075 0.000 1.014 224 R HN 0.709 nan 8.270 nan 0.000 0.503 225 A N 0.388 123.336 122.820 0.214 0.000 2.594 225 A HA 0.783 5.107 4.320 0.006 0.000 0.291 225 A C -1.422 176.322 177.584 0.265 0.000 1.105 225 A CA -0.762 51.481 52.037 0.343 0.000 0.694 225 A CB 1.335 20.461 19.000 0.209 0.000 1.291 225 A HN 0.134 nan 8.150 nan 0.000 0.410 226 A N -0.015 122.983 122.820 0.298 0.000 2.304 226 A HA 0.643 4.966 4.320 0.006 0.000 0.301 226 A C -0.489 177.104 177.584 0.015 0.000 1.132 226 A CA -0.365 51.759 52.037 0.146 0.000 0.819 226 A CB 0.551 19.663 19.000 0.188 0.000 1.094 226 A HN 1.352 nan 8.150 nan 0.000 0.492 227 V N 1.941 121.821 119.914 -0.056 0.000 2.328 227 V HA 0.542 4.665 4.120 0.006 0.000 0.278 227 V C 0.665 176.598 176.094 -0.269 0.000 1.021 227 V CA -0.236 61.983 62.300 -0.135 0.000 0.838 227 V CB 0.646 32.403 31.823 -0.110 0.000 0.999 227 V HN 1.088 nan 8.190 nan 0.000 0.447 228 A N 4.039 126.615 122.820 -0.406 0.000 2.304 228 A HA 0.632 4.956 4.320 0.006 0.000 0.301 228 A C -0.188 177.093 177.584 -0.504 0.000 1.132 228 A CA -0.343 51.327 52.037 -0.611 0.000 0.819 228 A CB 1.019 19.323 19.000 -1.160 0.000 1.094 228 A HN 0.928 nan 8.150 nan 0.000 0.492 229 C N 2.772 121.785 119.300 -0.478 0.000 2.322 229 C HA 0.688 5.151 4.460 0.006 0.000 0.324 229 C C 0.157 175.183 174.990 0.060 0.000 1.249 229 C CA -0.653 58.207 59.018 -0.263 0.000 1.453 229 C CB -0.028 27.318 27.740 -0.656 0.000 2.145 229 C HN 0.944 nan 8.230 nan 0.000 0.466 230 R N 5.223 125.920 120.500 0.329 0.000 2.198 230 R HA 0.721 5.065 4.340 0.006 0.000 0.339 230 R C -1.116 175.312 176.300 0.213 0.000 1.020 230 R CA -0.289 56.014 56.100 0.339 0.000 0.864 230 R CB 0.605 31.148 30.300 0.406 0.000 1.105 230 R HN 0.856 nan 8.270 nan 0.000 0.463 231 I N 2.928 123.650 120.570 0.253 0.000 2.545 231 I HA 0.246 4.419 4.170 0.006 0.000 0.292 231 I C -0.399 175.784 176.117 0.110 0.000 1.040 231 I CA -0.433 60.994 61.300 0.213 0.000 1.068 231 I CB 2.453 40.695 38.000 0.404 0.000 1.251 231 I HN 0.602 nan 8.210 nan 0.000 0.424 232 T N 5.604 120.149 114.554 -0.015 0.000 2.908 232 T HA 0.101 4.455 4.350 0.006 0.000 0.301 232 T C 0.674 175.328 174.700 -0.076 0.000 1.019 232 T CA 0.090 62.149 62.100 -0.068 0.000 1.152 232 T CB 1.080 69.899 68.868 -0.082 0.000 0.966 232 T HN 0.469 nan 8.240 nan 0.000 0.540 233 V N 1.812 121.662 119.914 -0.108 0.000 3.431 233 V HA 0.283 4.406 4.120 0.006 0.000 0.255 233 V C 0.053 176.043 176.094 -0.173 0.000 1.403 233 V CA 0.202 62.411 62.300 -0.152 0.000 1.101 233 V CB 1.020 32.745 31.823 -0.164 0.000 0.891 233 V HN 0.806 nan 8.190 nan 0.000 0.446 234 E N -0.410 119.647 120.200 -0.237 0.000 2.291 234 E HA 0.267 4.621 4.350 0.006 0.000 0.276 234 E C 0.095 176.518 176.600 -0.296 0.000 0.896 234 E CA -0.120 56.080 56.400 -0.332 0.000 0.774 234 E CB 1.956 31.213 29.700 -0.737 0.000 1.227 234 E HN 0.190 nan 8.360 nan 0.000 0.413 235 E N 2.836 122.922 120.200 -0.189 0.000 2.250 235 E HA 0.015 4.368 4.350 0.006 0.000 0.192 235 E C -0.512 176.022 176.600 -0.109 0.000 0.986 235 E CA 0.849 57.191 56.400 -0.096 0.000 0.849 235 E CB 0.156 29.845 29.700 -0.018 0.000 0.797 235 E HN 0.725 nan 8.360 nan 0.000 0.482 236 E N -0.235 119.880 120.200 -0.141 0.000 2.553 236 E HA -0.212 4.142 4.350 0.006 0.000 0.264 236 E C -0.672 175.903 176.600 -0.041 0.000 1.068 236 E CA 0.684 57.028 56.400 -0.094 0.000 0.774 236 E CB -1.671 27.966 29.700 -0.104 0.000 1.349 236 E HN 0.342 nan 8.360 nan 0.000 0.404 237 I N -0.289 120.260 120.570 -0.036 0.000 2.918 237 I HA 0.223 4.397 4.170 0.006 0.000 0.301 237 I C -0.927 175.169 176.117 -0.034 0.000 1.312 237 I CA -1.012 60.273 61.300 -0.026 0.000 1.007 237 I CB 1.710 39.700 38.000 -0.017 0.000 1.281 237 I HN -0.111 nan 8.210 nan 0.000 0.440 238 D N 3.635 124.016 120.400 -0.032 0.000 2.458 238 D HA 0.399 5.043 4.640 0.006 0.000 0.243 238 D C 1.015 177.282 176.300 -0.056 0.000 1.146 238 D CA 2.056 56.034 54.000 -0.037 0.000 0.877 238 D CB 0.945 41.728 40.800 -0.029 0.000 1.176 238 D HN 0.837 nan 8.370 nan 0.000 0.461 239 G N 2.048 110.815 108.800 -0.054 0.000 2.245 239 G HA2 -0.221 3.742 3.960 0.006 0.000 0.264 239 G HA3 -0.221 3.742 3.960 0.006 0.000 0.264 239 G C 0.824 175.677 174.900 -0.078 0.000 0.985 239 G CA 0.382 45.442 45.100 -0.067 0.000 0.625 239 G HN 0.840 nan 8.290 nan 0.000 0.536 240 G N -0.449 108.306 108.800 -0.074 0.000 2.653 240 G HA2 0.513 4.476 3.960 0.006 0.000 0.265 240 G HA3 0.513 4.476 3.960 0.006 0.000 0.265 240 G C 0.390 175.241 174.900 -0.082 0.000 1.237 240 G CA -0.434 44.623 45.100 -0.072 0.000 0.946 240 G HN 0.728 nan 8.290 nan 0.000 0.522 241 I N 0.419 120.922 120.570 -0.111 0.000 2.662 241 I HA 0.100 4.273 4.170 0.006 0.000 0.285 241 I C 1.115 177.165 176.117 -0.111 0.000 1.161 241 I CA 0.635 61.856 61.300 -0.132 0.000 1.415 241 I CB 0.701 38.579 38.000 -0.203 0.000 1.385 241 I HN 0.348 nan 8.210 nan 0.000 0.552 242 T N 4.593 119.094 114.554 -0.089 0.000 2.919 242 T HA 0.309 4.662 4.350 0.006 0.000 0.282 242 T C 1.137 175.794 174.700 -0.072 0.000 1.020 242 T CA -0.686 61.374 62.100 -0.067 0.000 0.994 242 T CB 1.477 70.320 68.868 -0.042 0.000 1.180 242 T HN 0.680 nan 8.240 nan 0.000 0.566 243 R N 1.131 121.603 120.500 -0.046 0.000 2.159 243 R HA -0.194 4.150 4.340 0.006 0.000 0.249 243 R C 2.045 178.300 176.300 -0.075 0.000 1.136 243 R CA 3.057 59.123 56.100 -0.058 0.000 0.951 243 R CB -0.815 29.470 30.300 -0.025 0.000 0.876 243 R HN 0.821 nan 8.270 nan 0.000 0.440 244 E N -0.515 119.650 120.200 -0.058 0.000 2.114 244 E HA -0.238 4.116 4.350 0.006 0.000 0.199 244 E C 1.519 178.077 176.600 -0.069 0.000 1.008 244 E CA 1.953 58.319 56.400 -0.058 0.000 0.810 244 E CB -0.104 29.569 29.700 -0.045 0.000 0.739 244 E HN 0.526 nan 8.360 nan 0.000 0.456 245 D N 0.159 120.515 120.400 -0.074 0.000 2.091 245 D HA -0.149 4.495 4.640 0.006 0.000 0.199 245 D C 2.085 178.326 176.300 -0.098 0.000 0.980 245 D CA 0.724 54.678 54.000 -0.077 0.000 0.831 245 D CB -0.314 40.438 40.800 -0.080 0.000 0.987 245 D HN 0.178 nan 8.370 nan 0.000 0.460 246 I N 1.772 122.265 120.570 -0.127 0.000 2.264 246 I HA -0.237 3.937 4.170 0.006 0.000 0.248 246 I C 2.004 178.001 176.117 -0.200 0.000 1.111 246 I CA 1.445 62.638 61.300 -0.177 0.000 1.382 246 I CB -0.198 37.666 38.000 -0.227 0.000 1.060 246 I HN -0.043 nan 8.210 nan 0.000 0.418 247 E N -0.173 119.930 120.200 -0.162 0.000 2.106 247 E HA -0.127 4.227 4.350 0.006 0.000 0.192 247 E C 2.230 178.760 176.600 -0.117 0.000 0.984 247 E CA 0.968 57.280 56.400 -0.147 0.000 0.806 247 E CB -0.519 29.113 29.700 -0.113 0.000 0.750 247 E HN 0.655 nan 8.360 nan 0.000 0.458 248 G N 0.616 109.362 108.800 -0.091 0.000 2.418 248 G HA2 -0.233 3.730 3.960 0.006 0.000 0.217 248 G HA3 -0.233 3.730 3.960 0.006 0.000 0.217 248 G C 1.700 176.563 174.900 -0.062 0.000 1.158 248 G CA 0.691 45.752 45.100 -0.064 0.000 0.771 248 G HN 0.126 nan 8.290 nan 0.000 0.545 249 V N 0.723 120.591 119.914 -0.078 0.000 2.343 249 V HA -0.099 4.024 4.120 0.006 0.000 0.247 249 V C 2.817 178.855 176.094 -0.093 0.000 1.051 249 V CA 1.067 63.333 62.300 -0.056 0.000 1.036 249 V CB -0.350 31.445 31.823 -0.047 0.000 0.654 249 V HN 0.207 nan 8.190 nan 0.000 0.451 250 L N -0.225 120.872 121.223 -0.210 0.000 2.046 250 L HA -0.111 4.233 4.340 0.006 0.000 0.208 250 L C 2.511 179.314 176.870 -0.111 0.000 1.077 250 L CA 1.844 56.519 54.840 -0.275 0.000 0.747 250 L CB -1.326 40.533 42.059 -0.334 0.000 0.896 250 L HN 0.294 nan 8.230 nan 0.000 0.432 251 R N -0.675 119.776 120.500 -0.082 0.000 2.092 251 R HA -0.130 4.213 4.340 0.006 0.000 0.231 251 R C 2.014 178.310 176.300 -0.007 0.000 1.119 251 R CA 1.076 57.152 56.100 -0.040 0.000 0.970 251 R CB 0.220 30.494 30.300 -0.043 0.000 0.864 251 R HN 0.288 nan 8.270 nan 0.000 0.440 252 E N -0.437 119.765 120.200 0.002 0.000 2.190 252 E HA -0.053 4.301 4.350 0.006 0.000 0.191 252 E C 1.044 177.683 176.600 0.064 0.000 0.978 252 E CA 0.771 57.187 56.400 0.025 0.000 0.839 252 E CB 0.336 30.047 29.700 0.019 0.000 0.787 252 E HN 0.204 nan 8.360 nan 0.000 0.473 253 L N -0.657 120.632 121.223 0.109 0.000 2.966 253 L HA 0.274 4.617 4.340 0.006 0.000 0.262 253 L C 1.813 178.910 176.870 0.378 0.000 1.165 253 L CA 0.324 55.293 54.840 0.214 0.000 0.978 253 L CB 0.200 42.425 42.059 0.276 0.000 1.337 253 L HN 0.042 nan 8.230 nan 0.000 0.563 254 G N -0.444 108.516 108.800 0.267 0.000 2.479 254 G HA2 -0.275 3.688 3.960 0.006 0.000 0.220 254 G HA3 -0.275 3.688 3.960 0.006 0.000 0.220 254 G C 1.329 176.479 174.900 0.417 0.000 1.115 254 G CA 0.830 46.140 45.100 0.350 0.000 0.757 254 G HN 0.444 nan 8.290 nan 0.000 0.560 255 E N 0.171 120.513 120.200 0.237 0.000 2.442 255 E HA 0.087 4.440 4.350 0.006 0.000 0.195 255 E C 2.162 178.831 176.600 0.115 0.000 1.030 255 E CA -0.117 56.375 56.400 0.153 0.000 0.869 255 E CB -0.103 29.652 29.700 0.091 0.000 0.857 255 E HN 0.455 nan 8.360 nan 0.000 0.505 256 L N 1.226 122.528 121.223 0.131 0.000 2.049 256 L HA 0.067 4.411 4.340 0.006 0.000 0.203 256 L C -1.062 175.758 176.870 -0.084 0.000 1.074 256 L CA 0.587 55.443 54.840 0.027 0.000 0.749 256 L CB -0.975 41.105 42.059 0.035 0.000 0.907 256 L HN 0.121 nan 8.230 nan 0.000 0.439 257 P HA 0.075 nan 4.420 nan 0.000 0.279 257 P C -0.526 176.626 177.300 -0.246 0.000 1.276 257 P CA -0.205 62.684 63.100 -0.351 0.000 0.801 257 P CB 0.665 31.920 31.700 -0.742 0.000 1.127 258 D N -0.993 119.278 120.400 -0.216 0.000 2.289 258 D HA 0.087 4.730 4.640 0.006 0.000 0.207 258 D C 0.426 176.639 176.300 -0.144 0.000 0.966 258 D CA 1.137 55.063 54.000 -0.124 0.000 0.868 258 D CB 0.180 40.943 40.800 -0.062 0.000 0.943 258 D HN 0.107 nan 8.370 nan 0.000 0.514 259 L N -0.746 120.308 121.223 -0.282 0.000 2.505 259 L HA 0.397 4.740 4.340 0.006 0.000 0.259 259 L C -2.271 174.332 176.870 -0.445 0.000 0.952 259 L CA -0.756 53.928 54.840 -0.261 0.000 0.840 259 L CB 1.920 43.860 42.059 -0.198 0.000 1.358 259 L HN -0.193 nan 8.230 nan 0.000 0.409 260 W N 3.630 124.765 121.300 -0.275 0.000 2.417 260 W HA 0.485 5.149 4.660 0.007 0.000 0.315 260 W C -0.543 175.591 176.519 -0.641 0.000 1.045 260 W CA -0.218 56.880 57.345 -0.412 0.000 1.221 260 W CB 1.598 30.765 29.460 -0.488 0.000 1.309 260 W HN 0.471 nan 8.180 nan 0.000 0.453 261 D N 3.073 123.357 120.400 -0.193 0.000 2.233 261 D HA 0.292 4.936 4.640 0.006 0.000 0.240 261 D C -1.254 175.007 176.300 -0.064 0.000 1.074 261 D CA -0.531 53.369 54.000 -0.166 0.000 0.838 261 D CB 0.774 41.636 40.800 0.103 0.000 1.124 261 D HN -0.040 nan 8.370 nan 0.000 0.475 262 F N 1.963 121.990 119.950 0.129 0.000 2.415 262 F HA 0.679 5.210 4.527 0.006 0.000 0.348 262 F C 0.728 176.558 175.800 0.051 0.000 1.119 262 F CA -0.941 57.114 58.000 0.091 0.000 1.069 262 F CB 1.472 40.517 39.000 0.074 0.000 1.124 262 F HN 0.354 nan 8.300 nan 0.000 0.472 263 A N 3.789 126.728 122.820 0.198 0.000 2.594 263 A HA 0.809 5.133 4.320 0.006 0.000 0.291 263 A C -0.701 176.838 177.584 -0.075 0.000 1.105 263 A CA -0.919 51.133 52.037 0.026 0.000 0.694 263 A CB 1.527 20.460 19.000 -0.112 0.000 1.291 263 A HN 0.528 nan 8.150 nan 0.000 0.410 264 M N 0.886 120.431 119.600 -0.091 0.000 2.226 264 M HA 0.232 4.715 4.480 0.006 0.000 0.324 264 M C 1.440 177.659 176.300 -0.136 0.000 1.112 264 M CA 0.284 55.512 55.300 -0.121 0.000 1.176 264 M CB 0.354 32.912 32.600 -0.071 0.000 1.430 264 M HN 0.965 nan 8.290 nan 0.000 0.462 265 G N 0.413 109.158 108.800 -0.092 0.000 3.327 265 G HA2 0.169 4.132 3.960 0.006 0.000 0.240 265 G HA3 0.169 4.132 3.960 0.006 0.000 0.240 265 G C 0.199 175.085 174.900 -0.024 0.000 1.222 265 G CA 0.148 45.272 45.100 0.039 0.000 0.871 265 G HN 0.587 nan 8.290 nan 0.000 0.525 266 S N -1.811 113.851 115.700 -0.062 0.000 2.548 266 S HA 0.261 4.735 4.470 0.006 0.000 0.278 266 S C -0.386 174.183 174.600 -0.051 0.000 1.150 266 S CA -0.684 57.452 58.200 -0.106 0.000 0.907 266 S CB 0.536 63.685 63.200 -0.084 0.000 1.108 266 S HN 0.188 nan 8.310 nan 0.000 0.459 267 W N 3.652 124.648 121.300 -0.505 0.000 2.418 267 W HA 0.082 4.745 4.660 0.007 0.000 0.292 267 W C 1.374 177.439 176.519 -0.757 0.000 1.213 267 W CA 1.364 58.328 57.345 -0.634 0.000 1.283 267 W CB -0.648 28.376 29.460 -0.727 0.000 1.119 267 W HN 0.879 nan 8.180 nan 0.000 0.542 268 E N -0.525 119.240 120.200 -0.724 0.000 2.065 268 E HA -0.193 4.161 4.350 0.006 0.000 0.201 268 E C 2.476 178.929 176.600 -0.245 0.000 1.016 268 E CA 2.267 58.336 56.400 -0.553 0.000 0.818 268 E CB -1.273 28.292 29.700 -0.224 0.000 0.749 268 E HN 0.283 nan 8.360 nan 0.000 0.453 269 G N 0.362 109.076 108.800 -0.142 0.000 2.402 269 G HA2 -0.310 3.653 3.960 0.006 0.000 0.216 269 G HA3 -0.310 3.653 3.960 0.006 0.000 0.216 269 G C 1.345 176.240 174.900 -0.008 0.000 1.162 269 G CA 1.008 46.070 45.100 -0.063 0.000 0.777 269 G HN 0.203 nan 8.290 nan 0.000 0.539 270 D N 0.591 121.016 120.400 0.042 0.000 2.078 270 D HA -0.031 4.612 4.640 0.006 0.000 0.193 270 D C 1.647 178.022 176.300 0.124 0.000 0.990 270 D CA 0.945 55.024 54.000 0.132 0.000 0.827 270 D CB -0.087 40.883 40.800 0.284 0.000 0.975 270 D HN 0.204 nan 8.370 nan 0.000 0.451 271 S N 0.259 116.029 115.700 0.117 0.000 2.945 271 S HA 0.232 4.706 4.470 0.006 0.000 0.227 271 S C -0.026 174.610 174.600 0.060 0.000 1.353 271 S CA -0.483 57.779 58.200 0.104 0.000 1.236 271 S CB 0.581 63.885 63.200 0.173 0.000 1.069 271 S HN 0.178 nan 8.310 nan 0.000 0.509 272 V N 3.303 123.259 119.914 0.071 0.000 2.811 272 V HA 0.355 4.479 4.120 0.006 0.000 0.302 272 V C 0.677 176.869 176.094 0.163 0.000 1.063 272 V CA -0.190 62.175 62.300 0.108 0.000 1.088 272 V CB 1.019 32.907 31.823 0.108 0.000 0.982 272 V HN 0.676 nan 8.190 nan 0.000 0.485 273 T N 3.028 117.728 114.554 0.243 0.000 2.868 273 T HA 0.221 4.574 4.350 0.006 0.000 0.292 273 T C 1.474 176.305 174.700 0.219 0.000 1.028 273 T CA 0.119 62.371 62.100 0.253 0.000 1.059 273 T CB 1.036 70.101 68.868 0.330 0.000 0.991 273 T HN 1.259 nan 8.240 nan 0.000 0.531 274 S N 1.016 116.824 115.700 0.181 0.000 2.383 274 S HA -0.264 4.209 4.470 0.006 0.000 0.229 274 S C 2.026 176.646 174.600 0.035 0.000 1.030 274 S CA 1.076 59.352 58.200 0.126 0.000 1.002 274 S CB -0.784 62.512 63.200 0.160 0.000 0.829 274 S HN 0.815 nan 8.310 nan 0.000 0.467 275 R N -0.084 120.400 120.500 -0.027 0.000 2.170 275 R HA -0.084 4.260 4.340 0.006 0.000 0.242 275 R C 0.751 176.713 176.300 -0.563 0.000 1.145 275 R CA 1.840 57.726 56.100 -0.356 0.000 0.984 275 R CB -0.260 29.755 30.300 -0.476 0.000 0.869 275 R HN 0.578 nan 8.270 nan 0.000 0.455 276 F N -1.661 118.322 119.950 0.054 0.000 2.746 276 F HA 0.462 4.992 4.527 0.006 0.000 0.320 276 F C -0.070 175.762 175.800 0.054 0.000 1.097 276 F CA 0.047 58.077 58.000 0.051 0.000 1.195 276 F CB 1.367 40.402 39.000 0.059 0.000 1.056 276 F HN -0.000 nan 8.300 nan 0.000 0.562 277 A N 0.897 123.820 122.820 0.172 0.000 2.532 277 A HA 0.613 4.937 4.320 0.006 0.000 0.296 277 A C -2.826 174.817 177.584 0.098 0.000 1.058 277 A CA -1.180 50.938 52.037 0.136 0.000 0.729 277 A CB 0.984 20.075 19.000 0.152 0.000 1.285 277 A HN -0.144 nan 8.150 nan 0.000 0.396 278 P HA 0.205 nan 4.420 nan 0.000 0.275 278 P C -0.118 177.232 177.300 0.083 0.000 1.266 278 P CA -0.272 62.875 63.100 0.078 0.000 0.793 278 P CB 0.584 32.326 31.700 0.070 0.000 1.074 279 E N -0.510 119.747 120.200 0.094 0.000 2.437 279 E HA 0.169 4.522 4.350 0.006 0.000 0.263 279 E C 0.859 177.532 176.600 0.122 0.000 1.030 279 E CA 0.624 57.088 56.400 0.107 0.000 0.934 279 E CB -0.577 29.220 29.700 0.162 0.000 0.943 279 E HN 0.770 nan 8.360 nan 0.000 0.444 280 G N 3.981 112.830 108.800 0.082 0.000 2.225 280 G HA2 -0.307 3.657 3.960 0.006 0.000 0.267 280 G HA3 -0.307 3.657 3.960 0.006 0.000 0.267 280 G C 0.888 175.867 174.900 0.131 0.000 1.024 280 G CA 0.430 45.639 45.100 0.181 0.000 0.784 280 G HN 0.544 nan 8.290 nan 0.000 0.507 281 R N -0.385 120.166 120.500 0.085 0.000 2.280 281 R HA 0.032 4.376 4.340 0.006 0.000 0.207 281 R C 2.323 178.701 176.300 0.130 0.000 1.043 281 R CA 1.078 57.232 56.100 0.090 0.000 1.006 281 R CB -0.108 30.258 30.300 0.109 0.000 0.885 281 R HN 0.740 nan 8.270 nan 0.000 0.467 282 Q N -0.353 119.546 119.800 0.165 0.000 2.482 282 Q HA -0.090 4.254 4.340 0.006 0.000 0.209 282 Q C 1.485 177.611 176.000 0.209 0.000 0.961 282 Q CA 0.319 56.291 55.803 0.282 0.000 0.945 282 Q CB 0.210 29.074 28.738 0.211 0.000 1.012 282 Q HN 0.410 nan 8.270 nan 0.000 0.515 283 E N 1.534 121.798 120.200 0.107 0.000 2.110 283 E HA -0.211 4.142 4.350 0.006 0.000 0.193 283 E C 0.522 177.094 176.600 -0.045 0.000 0.988 283 E CA 1.176 57.617 56.400 0.070 0.000 0.804 283 E CB 0.294 30.039 29.700 0.074 0.000 0.745 283 E HN 0.327 nan 8.360 nan 0.000 0.458 284 E N -0.818 119.241 120.200 -0.236 0.000 2.465 284 E HA 0.023 4.377 4.350 0.006 0.000 0.191 284 E C 0.442 176.803 176.600 -0.398 0.000 1.053 284 E CA 0.083 56.292 56.400 -0.317 0.000 0.869 284 E CB 0.095 29.587 29.700 -0.346 0.000 0.977 284 E HN 0.302 nan 8.360 nan 0.000 0.483 285 F N -1.176 118.757 119.950 -0.028 0.000 2.717 285 F HA 0.159 4.690 4.527 0.006 0.000 0.295 285 F C 1.576 177.302 175.800 -0.123 0.000 1.117 285 F CA 0.013 57.974 58.000 -0.066 0.000 1.361 285 F CB 0.457 39.427 39.000 -0.049 0.000 1.112 285 F HN -0.058 nan 8.300 nan 0.000 0.594 286 V N -0.892 119.053 119.914 0.052 0.000 3.307 286 V HA 0.382 4.505 4.120 0.006 0.000 0.244 286 V C 1.218 177.282 176.094 -0.050 0.000 1.196 286 V CA 0.228 62.502 62.300 -0.043 0.000 1.132 286 V CB -0.226 31.660 31.823 0.106 0.000 0.875 286 V HN 0.093 nan 8.190 nan 0.000 0.468 287 A N 0.521 123.329 122.820 -0.021 0.000 2.565 287 A HA 0.402 4.726 4.320 0.006 0.000 0.237 287 A C 1.627 179.181 177.584 -0.050 0.000 1.053 287 A CA 1.093 53.116 52.037 -0.023 0.000 0.755 287 A CB -0.647 18.333 19.000 -0.032 0.000 0.980 287 A HN 1.488 nan 8.150 nan 0.000 0.506 288 G N 0.694 109.472 108.800 -0.038 0.000 2.241 288 G HA2 -0.211 3.753 3.960 0.006 0.000 0.244 288 G HA3 -0.211 3.753 3.960 0.006 0.000 0.244 288 G C 0.590 175.449 174.900 -0.068 0.000 0.998 288 G CA 0.534 45.603 45.100 -0.050 0.000 0.621 288 G HN 0.780 nan 8.290 nan 0.000 0.519 289 L N 0.809 121.976 121.223 -0.093 0.000 2.209 289 L HA 0.338 4.681 4.340 0.006 0.000 0.207 289 L C 2.609 179.474 176.870 -0.009 0.000 1.094 289 L CA 2.289 57.045 54.840 -0.140 0.000 0.790 289 L CB -0.758 41.062 42.059 -0.400 0.000 0.932 289 L HN 0.377 nan 8.230 nan 0.000 0.447 290 K N 0.136 120.579 120.400 0.072 0.000 2.020 290 K HA -0.244 4.080 4.320 0.006 0.000 0.212 290 K C 1.999 178.624 176.600 0.043 0.000 1.050 290 K CA 1.630 57.975 56.287 0.095 0.000 0.929 290 K CB -0.032 32.520 32.500 0.087 0.000 0.714 290 K HN 0.124 nan 8.250 nan 0.000 0.443 291 K N 0.412 120.822 120.400 0.016 0.000 2.304 291 K HA -0.165 4.159 4.320 0.006 0.000 0.204 291 K C 1.648 178.244 176.600 -0.006 0.000 1.044 291 K CA 1.129 57.417 56.287 0.002 0.000 0.932 291 K CB -0.077 32.418 32.500 -0.009 0.000 0.735 291 K HN 0.206 nan 8.250 nan 0.000 0.468 292 L N -0.449 120.762 121.223 -0.020 0.000 2.567 292 L HA 0.041 4.384 4.340 0.006 0.000 0.225 292 L C 0.903 177.762 176.870 -0.018 0.000 1.119 292 L CA 0.106 54.923 54.840 -0.038 0.000 0.871 292 L CB 0.400 42.407 42.059 -0.086 0.000 1.036 292 L HN 0.010 nan 8.230 nan 0.000 0.459 293 T N -2.500 112.063 114.554 0.016 0.000 2.912 293 T HA 0.125 4.479 4.350 0.006 0.000 0.299 293 T C 0.848 175.599 174.700 0.086 0.000 1.052 293 T CA -0.100 62.040 62.100 0.067 0.000 0.996 293 T CB 1.908 70.839 68.868 0.106 0.000 1.070 293 T HN 0.047 nan 8.240 nan 0.000 0.465 294 T N 2.528 117.138 114.554 0.093 0.000 2.881 294 T HA 0.054 4.407 4.350 0.006 0.000 0.270 294 T C 0.640 175.394 174.700 0.089 0.000 1.068 294 T CA 0.928 63.074 62.100 0.076 0.000 1.131 294 T CB -0.264 68.643 68.868 0.065 0.000 0.871 294 T HN 0.433 nan 8.240 nan 0.000 0.479 295 K N 2.603 123.088 120.400 0.141 0.000 2.118 295 K HA 0.388 4.711 4.320 0.006 0.000 0.264 295 K C -2.385 174.287 176.600 0.121 0.000 1.000 295 K CA -2.693 53.676 56.287 0.137 0.000 0.929 295 K CB 0.495 33.110 32.500 0.193 0.000 1.021 295 K HN 0.245 nan 8.250 nan 0.000 0.463 296 P HA 0.088 nan 4.420 nan 0.000 0.271 296 P C -0.468 176.830 177.300 -0.003 0.000 1.233 296 P CA -0.288 62.828 63.100 0.027 0.000 0.789 296 P CB 0.607 32.312 31.700 0.007 0.000 0.951 297 V N 1.124 121.007 119.914 -0.053 0.000 2.760 297 V HA 0.260 4.383 4.120 0.006 0.000 0.309 297 V C -0.007 175.978 176.094 -0.181 0.000 1.077 297 V CA -0.713 61.496 62.300 -0.151 0.000 0.910 297 V CB 2.465 34.258 31.823 -0.050 0.000 1.008 297 V HN 0.267 nan 8.190 nan 0.000 0.424 298 V N 2.659 122.397 119.914 -0.294 0.000 2.581 298 V HA 0.995 5.119 4.120 0.006 0.000 0.303 298 V C 0.527 176.583 176.094 -0.062 0.000 1.041 298 V CA -0.230 61.931 62.300 -0.231 0.000 0.907 298 V CB 1.566 33.105 31.823 -0.474 0.000 0.994 298 V HN 1.020 nan 8.190 nan 0.000 0.442 299 G N 1.429 110.296 108.800 0.111 0.000 2.672 299 G HA2 0.770 4.734 3.960 0.006 0.000 0.292 299 G HA3 0.770 4.734 3.960 0.006 0.000 0.292 299 G C -1.038 174.060 174.900 0.331 0.000 1.375 299 G CA -0.395 44.853 45.100 0.247 0.000 0.890 299 G HN 1.052 nan 8.290 nan 0.000 0.476 300 V N -2.189 117.859 119.914 0.223 0.000 3.103 300 V HA 1.032 5.155 4.120 0.006 0.000 0.318 300 V C 0.522 176.357 176.094 -0.432 0.000 1.114 300 V CA -0.505 61.801 62.300 0.010 0.000 1.020 300 V CB 1.797 33.632 31.823 0.020 0.000 1.085 300 V HN 1.886 nan 8.190 nan 0.000 0.446 301 G N 0.595 108.741 108.800 -1.089 0.000 4.890 301 G HA2 0.205 4.168 3.960 0.006 0.000 0.225 301 G HA3 0.205 4.168 3.960 0.006 0.000 0.225 301 G C 0.137 174.525 174.900 -0.852 0.000 2.100 301 G CA -0.127 44.356 45.100 -1.028 0.000 0.773 301 G HN 1.137 nan 8.290 nan 0.000 0.279 302 R N -0.355 119.876 120.500 -0.448 0.000 3.225 302 R HA -0.209 4.135 4.340 0.006 0.000 0.245 302 R C -0.684 175.592 176.300 -0.040 0.000 0.928 302 R CA 0.234 56.242 56.100 -0.153 0.000 0.632 302 R CB -1.551 28.729 30.300 -0.032 0.000 1.038 302 R HN 0.211 nan 8.270 nan 0.000 0.461 303 F N 0.128 120.173 119.950 0.158 0.000 2.466 303 F HA 0.115 4.645 4.527 0.006 0.000 0.363 303 F C 1.826 177.734 175.800 0.180 0.000 1.109 303 F CA 0.424 58.523 58.000 0.164 0.000 1.161 303 F CB 1.246 40.351 39.000 0.175 0.000 1.117 303 F HN 0.193 nan 8.300 nan 0.000 0.539 304 T N -2.273 112.488 114.554 0.344 0.000 3.026 304 T HA 0.062 4.416 4.350 0.006 0.000 0.245 304 T C 0.846 175.666 174.700 0.201 0.000 1.004 304 T CA 0.132 62.377 62.100 0.243 0.000 1.069 304 T CB -0.035 68.939 68.868 0.178 0.000 1.005 304 T HN 0.383 nan 8.240 nan 0.000 0.472 305 S N 3.062 118.880 115.700 0.198 0.000 2.448 305 S HA 0.334 4.807 4.470 0.006 0.000 0.279 305 S C -1.867 172.814 174.600 0.135 0.000 1.195 305 S CA -1.354 56.936 58.200 0.150 0.000 1.051 305 S CB 1.099 64.385 63.200 0.143 0.000 0.948 305 S HN -0.019 nan 8.310 nan 0.000 0.493 306 P HA -0.054 nan 4.420 nan 0.000 0.220 306 P C 0.664 178.104 177.300 0.235 0.000 1.148 306 P CA 0.920 64.086 63.100 0.110 0.000 0.803 306 P CB 0.127 31.759 31.700 -0.114 0.000 0.782 307 D N -0.754 119.792 120.400 0.244 0.000 2.224 307 D HA -0.039 4.605 4.640 0.006 0.000 0.205 307 D C 1.929 178.279 176.300 0.083 0.000 0.965 307 D CA 1.055 55.171 54.000 0.193 0.000 0.852 307 D CB -0.313 40.585 40.800 0.163 0.000 0.947 307 D HN 0.087 nan 8.370 nan 0.000 0.494 308 A N 0.852 123.714 122.820 0.070 0.000 1.933 308 A HA -0.141 4.182 4.320 0.006 0.000 0.218 308 A C 2.235 179.738 177.584 -0.134 0.000 1.175 308 A CA 1.072 53.117 52.037 0.013 0.000 0.628 308 A CB -0.437 18.619 19.000 0.093 0.000 0.814 308 A HN 0.121 nan 8.150 nan 0.000 0.444 309 M N -0.865 118.647 119.600 -0.146 0.000 2.132 309 M HA -0.104 4.380 4.480 0.006 0.000 0.263 309 M C 2.056 178.243 176.300 -0.188 0.000 1.065 309 M CA 1.225 56.355 55.300 -0.284 0.000 1.122 309 M CB -0.415 32.061 32.600 -0.207 0.000 1.365 309 M HN 0.214 nan 8.290 nan 0.000 0.411 310 V N 0.198 120.079 119.914 -0.054 0.000 2.332 310 V HA -0.286 3.838 4.120 0.006 0.000 0.248 310 V C 2.557 178.611 176.094 -0.066 0.000 1.055 310 V CA 1.690 63.968 62.300 -0.038 0.000 1.038 310 V CB -0.829 30.999 31.823 0.009 0.000 0.651 310 V HN 0.431 nan 8.190 nan 0.000 0.450 311 R N -0.182 120.281 120.500 -0.062 0.000 2.070 311 R HA -0.136 4.208 4.340 0.006 0.000 0.233 311 R C 2.392 178.650 176.300 -0.071 0.000 1.137 311 R CA 1.499 57.568 56.100 -0.051 0.000 0.945 311 R CB -0.571 29.712 30.300 -0.029 0.000 0.845 311 R HN 0.521 nan 8.270 nan 0.000 0.430 312 Q N 0.024 119.749 119.800 -0.125 0.000 2.248 312 Q HA -0.148 4.195 4.340 0.006 0.000 0.208 312 Q C 2.099 178.045 176.000 -0.090 0.000 0.984 312 Q CA 1.315 57.044 55.803 -0.124 0.000 0.875 312 Q CB -0.098 28.485 28.738 -0.258 0.000 0.910 312 Q HN 0.403 nan 8.270 nan 0.000 0.433 313 I N -0.291 120.218 120.570 -0.101 0.000 2.927 313 I HA -0.124 4.050 4.170 0.006 0.000 0.268 313 I C 2.124 178.212 176.117 -0.048 0.000 1.153 313 I CA 0.422 61.675 61.300 -0.078 0.000 1.459 313 I CB 0.052 37.990 38.000 -0.104 0.000 1.149 313 I HN -0.078 nan 8.210 nan 0.000 0.443 314 K N 1.014 121.386 120.400 -0.047 0.000 2.057 314 K HA 0.052 4.375 4.320 0.006 0.000 0.206 314 K C 1.934 178.520 176.600 -0.023 0.000 1.050 314 K CA 1.453 57.721 56.287 -0.032 0.000 0.935 314 K CB -0.313 32.167 32.500 -0.034 0.000 0.715 314 K HN 0.263 nan 8.250 nan 0.000 0.439 315 A N 0.394 123.200 122.820 -0.023 0.000 2.238 315 A HA 0.219 4.543 4.320 0.006 0.000 0.208 315 A C 1.132 178.711 177.584 -0.008 0.000 1.177 315 A CA 0.857 52.886 52.037 -0.014 0.000 0.804 315 A CB -0.347 18.645 19.000 -0.012 0.000 0.823 315 A HN 0.384 nan 8.150 nan 0.000 0.482 316 G N -0.585 108.210 108.800 -0.009 0.000 2.225 316 G HA2 -0.258 3.706 3.960 0.006 0.000 0.264 316 G HA3 -0.258 3.706 3.960 0.006 0.000 0.264 316 G C 0.557 175.467 174.900 0.017 0.000 1.060 316 G CA 0.560 45.661 45.100 0.002 0.000 0.833 316 G HN 0.489 nan 8.290 nan 0.000 0.498 317 I N -1.776 118.805 120.570 0.020 0.000 2.731 317 I HA 0.266 4.440 4.170 0.006 0.000 0.260 317 I C 0.715 176.881 176.117 0.082 0.000 1.138 317 I CA 0.532 61.861 61.300 0.049 0.000 1.461 317 I CB 0.015 38.045 38.000 0.050 0.000 1.128 317 I HN 0.150 nan 8.210 nan 0.000 0.438 318 L N -0.164 121.085 121.223 0.043 0.000 2.424 318 L HA 0.320 4.664 4.340 0.006 0.000 0.258 318 L C 0.149 177.014 176.870 -0.007 0.000 0.995 318 L CA -0.116 54.747 54.840 0.040 0.000 0.821 318 L CB 1.815 43.894 42.059 0.032 0.000 1.383 318 L HN -0.112 nan 8.230 nan 0.000 0.410 319 D N 0.858 121.250 120.400 -0.014 0.000 2.323 319 D HA 0.220 4.864 4.640 0.006 0.000 0.218 319 D C 0.046 176.313 176.300 -0.055 0.000 0.973 319 D CA 0.928 54.910 54.000 -0.030 0.000 0.890 319 D CB 0.979 41.771 40.800 -0.014 0.000 1.011 319 D HN 0.182 nan 8.370 nan 0.000 0.499 320 L N 1.360 122.547 121.223 -0.060 0.000 2.346 320 L HA 0.326 4.669 4.340 0.006 0.000 0.274 320 L C -0.360 176.490 176.870 -0.033 0.000 1.007 320 L CA -0.744 54.068 54.840 -0.048 0.000 0.818 320 L CB 2.786 44.829 42.059 -0.026 0.000 1.284 320 L HN -0.205 nan 8.230 nan 0.000 0.424 321 I N 2.275 122.806 120.570 -0.065 0.000 2.291 321 I HA 0.264 4.438 4.170 0.006 0.000 0.292 321 I C 0.792 177.097 176.117 0.313 0.000 1.064 321 I CA 0.102 61.410 61.300 0.014 0.000 1.269 321 I CB 0.615 38.460 38.000 -0.259 0.000 1.418 321 I HN 0.629 nan 8.210 nan 0.000 0.485 322 G N 4.979 114.010 108.800 0.386 0.000 2.395 322 G HA2 0.657 4.621 3.960 0.006 0.000 0.283 322 G HA3 0.657 4.621 3.960 0.006 0.000 0.283 322 G C -0.614 174.562 174.900 0.460 0.000 1.178 322 G CA -0.266 45.096 45.100 0.436 0.000 0.837 322 G HN 0.765 nan 8.290 nan 0.000 0.518 323 A N 0.596 123.628 122.820 0.354 0.000 2.549 323 A HA 0.862 5.186 4.320 0.006 0.000 0.297 323 A C 0.357 177.939 177.584 -0.003 0.000 1.061 323 A CA 0.194 52.343 52.037 0.187 0.000 0.690 323 A CB 1.516 20.694 19.000 0.296 0.000 1.287 323 A HN 1.606 nan 8.150 nan 0.000 0.402 324 A N 0.914 123.726 122.820 -0.014 0.000 2.121 324 A HA 0.306 4.629 4.320 0.006 0.000 0.215 324 A C 1.776 179.236 177.584 -0.207 0.000 1.861 324 A CA 0.616 52.600 52.037 -0.089 0.000 0.850 324 A CB -0.423 18.567 19.000 -0.016 0.000 1.346 324 A HN 0.759 nan 8.150 nan 0.000 0.597 325 R N 0.181 120.612 120.500 -0.116 0.000 2.081 325 R HA -0.067 4.276 4.340 0.006 0.000 0.235 325 R C -0.865 175.411 176.300 -0.040 0.000 1.131 325 R CA 1.870 57.911 56.100 -0.100 0.000 0.960 325 R CB -1.339 28.944 30.300 -0.028 0.000 0.856 325 R HN 0.364 nan 8.270 nan 0.000 0.436 326 P HA -0.200 nan 4.420 nan 0.000 0.216 326 P C 1.315 178.712 177.300 0.162 0.000 1.150 326 P CA 1.850 65.037 63.100 0.144 0.000 0.843 326 P CB -0.008 31.857 31.700 0.275 0.000 0.787 327 S N -1.285 114.416 115.700 0.001 0.000 2.402 327 S HA -0.119 4.354 4.470 0.006 0.000 0.229 327 S C 1.882 176.431 174.600 -0.085 0.000 1.021 327 S CA 1.016 59.120 58.200 -0.158 0.000 0.974 327 S CB -1.472 61.153 63.200 -0.960 0.000 0.800 327 S HN 0.047 nan 8.310 nan 0.000 0.484 328 I N 2.117 122.608 120.570 -0.130 0.000 2.286 328 I HA 0.009 4.183 4.170 0.006 0.000 0.245 328 I C 3.075 179.182 176.117 -0.017 0.000 1.104 328 I CA 0.975 62.219 61.300 -0.094 0.000 1.397 328 I CB -0.636 37.258 38.000 -0.176 0.000 1.072 328 I HN 0.408 nan 8.210 nan 0.000 0.417 329 A N -0.592 122.223 122.820 -0.009 0.000 1.902 329 A HA -0.201 4.122 4.320 0.006 0.000 0.217 329 A C 1.152 178.737 177.584 0.001 0.000 1.181 329 A CA 1.815 53.847 52.037 -0.008 0.000 0.623 329 A CB -0.189 18.809 19.000 -0.004 0.000 0.818 329 A HN 0.385 nan 8.150 nan 0.000 0.443 330 D N -2.526 117.920 120.400 0.077 0.000 2.364 330 D HA 0.348 4.991 4.640 0.006 0.000 0.251 330 D C -2.324 174.143 176.300 0.279 0.000 1.282 330 D CA -1.801 52.276 54.000 0.129 0.000 0.927 330 D CB 1.117 41.975 40.800 0.097 0.000 1.267 330 D HN -0.090 nan 8.370 nan 0.000 0.531 331 P HA -0.107 nan 4.420 nan 0.000 0.218 331 P C 0.769 178.273 177.300 0.340 0.000 1.146 331 P CA 0.964 64.285 63.100 0.369 0.000 0.820 331 P CB 0.031 31.909 31.700 0.296 0.000 0.778 332 F N -1.939 118.098 119.950 0.145 0.000 2.645 332 F HA 0.214 4.744 4.527 0.006 0.000 0.300 332 F C 1.852 177.610 175.800 -0.071 0.000 1.115 332 F CA -0.189 57.833 58.000 0.037 0.000 1.355 332 F CB -0.787 38.244 39.000 0.051 0.000 1.026 332 F HN -0.166 nan 8.300 nan 0.000 0.536 333 L N 1.041 122.273 121.223 0.015 0.000 2.017 333 L HA -0.094 4.249 4.340 0.006 0.000 0.208 333 L C -0.658 175.945 176.870 -0.445 0.000 1.073 333 L CA 1.696 56.469 54.840 -0.112 0.000 0.745 333 L CB -1.060 41.017 42.059 0.029 0.000 0.894 333 L HN -0.012 nan 8.230 nan 0.000 0.432 334 P HA -0.123 nan 4.420 nan 0.000 0.215 334 P C 0.891 177.960 177.300 -0.385 0.000 1.157 334 P CA 1.446 63.819 63.100 -1.213 0.000 0.868 334 P CB -0.169 30.593 31.700 -1.563 0.000 0.788 335 N N -0.416 118.126 118.700 -0.263 0.000 2.223 335 N HA -0.124 4.619 4.740 0.006 0.000 0.185 335 N C 1.418 176.917 175.510 -0.019 0.000 1.016 335 N CA 1.110 54.114 53.050 -0.077 0.000 0.863 335 N CB -0.512 37.997 38.487 0.036 0.000 0.983 335 N HN 0.286 nan 8.380 nan 0.000 0.429 336 K N 0.300 120.698 120.400 -0.004 0.000 2.217 336 K HA 0.095 4.418 4.320 0.006 0.000 0.202 336 K C 1.871 178.459 176.600 -0.021 0.000 1.051 336 K CA 0.501 56.795 56.287 0.012 0.000 0.952 336 K CB 0.106 32.630 32.500 0.040 0.000 0.736 336 K HN 0.202 nan 8.250 nan 0.000 0.453 337 I N 0.620 121.176 120.570 -0.024 0.000 2.233 337 I HA -0.218 3.956 4.170 0.006 0.000 0.243 337 I C 2.657 178.810 176.117 0.060 0.000 1.093 337 I CA 0.779 62.086 61.300 0.011 0.000 1.380 337 I CB -0.227 37.836 38.000 0.105 0.000 1.067 337 I HN 0.133 nan 8.210 nan 0.000 0.413 338 R N 1.235 121.742 120.500 0.011 0.000 2.113 338 R HA -0.236 4.108 4.340 0.006 0.000 0.244 338 R C 1.190 177.384 176.300 -0.177 0.000 1.142 338 R CA 2.264 58.155 56.100 -0.348 0.000 0.953 338 R CB -0.200 29.828 30.300 -0.452 0.000 0.860 338 R HN 0.310 nan 8.270 nan 0.000 0.438 339 D N -1.479 118.868 120.400 -0.089 0.000 2.340 339 D HA 0.109 4.752 4.640 0.006 0.000 0.220 339 D C 1.022 177.309 176.300 -0.021 0.000 1.039 339 D CA 0.957 54.927 54.000 -0.051 0.000 0.866 339 D CB 0.656 41.442 40.800 -0.025 0.000 0.913 339 D HN 0.596 nan 8.370 nan 0.000 0.523 340 G N 1.539 110.332 108.800 -0.012 0.000 2.212 340 G HA2 -0.325 3.639 3.960 0.006 0.000 0.266 340 G HA3 -0.325 3.639 3.960 0.006 0.000 0.266 340 G C 0.627 175.530 174.900 0.004 0.000 0.978 340 G CA -0.275 44.832 45.100 0.011 0.000 0.632 340 G HN 0.260 nan 8.290 nan 0.000 0.537 341 R N 1.018 121.518 120.500 -0.001 0.000 4.164 341 R HA 0.348 4.691 4.340 0.006 0.000 0.195 341 R C 1.667 177.972 176.300 0.008 0.000 1.712 341 R CA -0.241 55.864 56.100 0.008 0.000 1.457 341 R CB -0.352 29.957 30.300 0.015 0.000 1.387 341 R HN 0.425 nan 8.270 nan 0.000 0.785 342 L N 0.870 122.088 121.223 -0.007 0.000 2.217 342 L HA -0.158 4.185 4.340 0.006 0.000 0.211 342 L C 1.884 178.770 176.870 0.027 0.000 1.107 342 L CA 0.983 55.812 54.840 -0.018 0.000 0.783 342 L CB -0.490 41.533 42.059 -0.060 0.000 0.919 342 L HN 0.453 nan 8.230 nan 0.000 0.442 343 N N 1.149 119.870 118.700 0.034 0.000 2.519 343 N HA -0.170 4.574 4.740 0.006 0.000 0.186 343 N C 1.368 176.921 175.510 0.071 0.000 1.062 343 N CA 1.006 54.084 53.050 0.046 0.000 0.910 343 N CB -0.130 38.374 38.487 0.028 0.000 0.958 343 N HN 0.432 nan 8.380 nan 0.000 0.445 344 L N 0.702 121.978 121.223 0.087 0.000 2.667 344 L HA 0.363 4.707 4.340 0.006 0.000 0.232 344 L C 0.449 177.468 176.870 0.247 0.000 1.138 344 L CA -0.249 54.685 54.840 0.158 0.000 0.921 344 L CB 0.153 42.278 42.059 0.110 0.000 1.180 344 L HN -0.020 nan 8.230 nan 0.000 0.487 345 I N 1.144 121.811 120.570 0.162 0.000 2.533 345 I HA -0.006 4.168 4.170 0.006 0.000 0.284 345 I C 0.917 177.102 176.117 0.113 0.000 1.109 345 I CA 0.220 61.591 61.300 0.118 0.000 1.412 345 I CB 0.457 38.506 38.000 0.080 0.000 1.396 345 I HN 0.154 nan 8.210 nan 0.000 0.543 346 R N 6.943 127.409 120.500 -0.058 0.000 2.308 346 R HA 0.162 4.505 4.340 0.006 0.000 0.325 346 R C -0.392 175.868 176.300 -0.066 0.000 1.161 346 R CA -0.368 55.578 56.100 -0.256 0.000 1.022 346 R CB 0.207 30.123 30.300 -0.640 0.000 1.091 346 R HN 0.589 nan 8.270 nan 0.000 0.497 347 E N 2.531 122.743 120.200 0.019 0.000 2.316 347 E HA -0.015 4.339 4.350 0.006 0.000 0.275 347 E C -0.061 176.563 176.600 0.039 0.000 1.029 347 E CA -0.372 56.062 56.400 0.057 0.000 0.871 347 E CB 1.173 30.925 29.700 0.088 0.000 1.022 347 E HN 0.518 nan 8.360 nan 0.000 0.418 348 C N 3.600 122.931 119.300 0.053 0.000 2.641 348 C HA -0.059 4.404 4.460 0.006 0.000 0.412 348 C C 1.561 176.577 174.990 0.043 0.000 1.312 348 C CA 0.011 59.050 59.018 0.035 0.000 1.838 348 C CB -0.464 27.307 27.740 0.052 0.000 2.682 348 C HN 0.788 nan 8.230 nan 0.000 0.627 349 I N 3.138 123.713 120.570 0.007 0.000 3.645 349 I HA 0.258 4.432 4.170 0.006 0.000 0.300 349 I C 2.002 178.172 176.117 0.087 0.000 1.260 349 I CA 1.549 62.856 61.300 0.013 0.000 1.365 349 I CB -0.413 37.475 38.000 -0.187 0.000 1.077 349 I HN 1.094 nan 8.210 nan 0.000 0.439 350 G N 0.465 109.303 108.800 0.063 0.000 2.221 350 G HA2 -0.334 3.630 3.960 0.006 0.000 0.265 350 G HA3 -0.334 3.630 3.960 0.006 0.000 0.265 350 G C 1.232 176.226 174.900 0.157 0.000 1.041 350 G CA 0.566 45.734 45.100 0.114 0.000 0.807 350 G HN 0.572 nan 8.290 nan 0.000 0.502 351 C N -2.428 116.897 119.300 0.042 0.000 2.475 351 C HA 0.300 4.764 4.460 0.006 0.000 0.279 351 C C 1.850 176.927 174.990 0.146 0.000 1.322 351 C CA 1.204 60.247 59.018 0.042 0.000 1.734 351 C CB -0.452 27.090 27.740 -0.330 0.000 2.005 351 C HN 0.987 nan 8.230 nan 0.000 0.495 352 N N -0.776 117.981 118.700 0.095 0.000 2.949 352 N HA -0.139 4.605 4.740 0.006 0.000 0.192 352 N C 0.566 176.126 175.510 0.084 0.000 0.979 352 N CA 1.067 54.182 53.050 0.108 0.000 1.027 352 N CB -1.518 37.062 38.487 0.154 0.000 0.992 352 N HN 0.449 nan 8.380 nan 0.000 0.567 353 I N 1.208 121.830 120.570 0.087 0.000 2.229 353 I HA -0.394 3.780 4.170 0.006 0.000 0.250 353 I C 2.629 178.778 176.117 0.053 0.000 1.096 353 I CA 2.125 63.478 61.300 0.089 0.000 1.358 353 I CB -1.571 36.464 38.000 0.058 0.000 1.047 353 I HN 0.607 nan 8.210 nan 0.000 0.422 354 C N -0.621 118.701 119.300 0.036 0.000 2.413 354 C HA -0.121 4.343 4.460 0.006 0.000 0.276 354 C C 2.784 177.811 174.990 0.060 0.000 1.236 354 C CA 0.405 59.442 59.018 0.032 0.000 1.735 354 C CB -1.719 26.024 27.740 0.005 0.000 2.031 354 C HN 0.311 nan 8.230 nan 0.000 0.474 355 V N 2.921 122.879 119.914 0.072 0.000 2.237 355 V HA -0.217 3.907 4.120 0.006 0.000 0.245 355 V C 3.112 179.200 176.094 -0.010 0.000 1.046 355 V CA 2.824 65.171 62.300 0.080 0.000 1.007 355 V CB -1.228 30.597 31.823 0.004 0.000 0.638 355 V HN 0.818 nan 8.190 nan 0.000 0.445 356 S N 1.016 116.670 115.700 -0.078 0.000 2.428 356 S HA -0.226 4.248 4.470 0.006 0.000 0.240 356 S C 2.035 176.597 174.600 -0.064 0.000 1.036 356 S CA 1.737 59.845 58.200 -0.153 0.000 1.009 356 S CB -1.225 61.917 63.200 -0.097 0.000 0.803 356 S HN 0.627 nan 8.310 nan 0.000 0.486 357 G N 1.564 110.367 108.800 0.005 0.000 2.421 357 G HA2 -0.255 3.709 3.960 0.006 0.000 0.216 357 G HA3 -0.255 3.709 3.960 0.006 0.000 0.216 357 G C 1.149 176.063 174.900 0.024 0.000 1.171 357 G CA 1.034 46.141 45.100 0.011 0.000 0.775 357 G HN 0.655 nan 8.290 nan 0.000 0.543 358 D N -0.288 120.161 120.400 0.082 0.000 2.144 358 D HA -0.042 4.602 4.640 0.006 0.000 0.200 358 D C 2.254 178.682 176.300 0.213 0.000 0.978 358 D CA 0.424 54.522 54.000 0.165 0.000 0.833 358 D CB -0.131 40.841 40.800 0.286 0.000 0.961 358 D HN 0.181 nan 8.370 nan 0.000 0.470 359 L N -0.171 121.126 121.223 0.122 0.000 2.465 359 L HA 0.085 4.429 4.340 0.006 0.000 0.224 359 L C 1.786 178.585 176.870 -0.118 0.000 1.145 359 L CA 1.231 56.115 54.840 0.072 0.000 0.834 359 L CB -0.318 41.655 42.059 -0.143 0.000 0.944 359 L HN 0.225 nan 8.230 nan 0.000 0.451 360 T N -5.877 108.616 114.554 -0.101 0.000 3.228 360 T HA 0.257 4.611 4.350 0.006 0.000 0.278 360 T C 0.672 175.322 174.700 -0.083 0.000 1.014 360 T CA -0.427 61.608 62.100 -0.110 0.000 0.904 360 T CB -0.225 68.607 68.868 -0.061 0.000 1.110 360 T HN 0.005 nan 8.240 nan 0.000 0.541 361 M N 1.206 120.760 119.600 -0.076 0.000 2.282 361 M HA -0.172 4.311 4.480 0.006 0.000 0.199 361 M C -0.082 176.174 176.300 -0.072 0.000 0.349 361 M CA 0.496 55.749 55.300 -0.078 0.000 0.416 361 M CB -2.674 29.855 32.600 -0.118 0.000 1.366 361 M HN 0.310 nan 8.290 nan 0.000 0.907 362 S N -0.158 115.510 115.700 -0.053 0.000 2.578 362 S HA 0.735 5.209 4.470 0.006 0.000 0.301 362 S C -2.255 172.310 174.600 -0.059 0.000 1.091 362 S CA -1.365 56.798 58.200 -0.062 0.000 1.032 362 S CB 1.598 64.765 63.200 -0.056 0.000 1.064 362 S HN 0.111 nan 8.310 nan 0.000 0.508 363 P HA 0.089 nan 4.420 nan 0.000 0.262 363 P C -0.128 177.146 177.300 -0.044 0.000 1.199 363 P CA -0.177 62.884 63.100 -0.065 0.000 0.763 363 P CB -0.443 31.203 31.700 -0.090 0.000 0.790 364 I N 1.279 121.843 120.570 -0.009 0.000 2.683 364 I HA 0.134 4.307 4.170 0.006 0.000 0.286 364 I C 0.547 176.667 176.117 0.005 0.000 1.175 364 I CA -0.071 61.234 61.300 0.009 0.000 1.429 364 I CB 0.091 38.113 38.000 0.037 0.000 1.371 364 I HN 0.172 nan 8.210 nan 0.000 0.569 365 R N 4.810 125.310 120.500 -0.001 0.000 2.457 365 R HA 0.573 4.916 4.340 0.006 0.000 0.284 365 R C -0.956 175.360 176.300 0.027 0.000 1.024 365 R CA -0.654 55.453 56.100 0.011 0.000 1.025 365 R CB 1.652 31.937 30.300 -0.026 0.000 1.063 365 R HN 0.831 nan 8.270 nan 0.000 0.493 366 C N 1.877 121.207 119.300 0.050 0.000 2.379 366 C HA 0.252 4.715 4.460 0.006 0.000 0.323 366 C C 1.793 176.801 174.990 0.029 0.000 1.262 366 C CA -0.395 58.638 59.018 0.025 0.000 1.581 366 C CB 0.998 28.748 27.740 0.017 0.000 2.221 366 C HN 0.961 nan 8.230 nan 0.000 0.497 367 T N 2.456 116.997 114.554 -0.021 0.000 2.699 367 T HA -0.180 4.174 4.350 0.006 0.000 0.268 367 T C 1.675 176.365 174.700 -0.018 0.000 1.036 367 T CA 1.759 63.832 62.100 -0.044 0.000 1.147 367 T CB -0.082 68.688 68.868 -0.164 0.000 0.862 367 T HN 0.787 nan 8.240 nan 0.000 0.446 368 Q N 0.466 120.245 119.800 -0.036 0.000 2.212 368 Q HA 0.116 4.460 4.340 0.006 0.000 0.199 368 Q C 0.836 176.816 176.000 -0.034 0.000 0.950 368 Q CA 0.617 56.392 55.803 -0.047 0.000 0.863 368 Q CB -0.064 28.624 28.738 -0.084 0.000 0.944 368 Q HN 0.385 nan 8.270 nan 0.000 0.465 369 N N 0.959 119.662 118.700 0.006 0.000 2.626 369 N HA 0.129 4.873 4.740 0.006 0.000 0.249 369 N C -2.203 173.386 175.510 0.130 0.000 1.021 369 N CA -2.004 51.068 53.050 0.036 0.000 0.886 369 N CB 1.418 39.917 38.487 0.020 0.000 1.149 369 N HN -0.197 nan 8.380 nan 0.000 0.517 370 P HA -0.092 nan 4.420 nan 0.000 0.225 370 P C 0.769 178.349 177.300 0.467 0.000 1.148 370 P CA 0.828 64.142 63.100 0.357 0.000 0.779 370 P CB 0.193 32.040 31.700 0.245 0.000 0.780 371 S N -1.893 114.012 115.700 0.342 0.000 2.562 371 S HA 0.063 4.536 4.470 0.006 0.000 0.221 371 S C 1.011 175.765 174.600 0.256 0.000 0.975 371 S CA -0.266 58.181 58.200 0.412 0.000 0.918 371 S CB -0.947 62.434 63.200 0.301 0.000 0.772 371 S HN -0.054 nan 8.310 nan 0.000 0.531 372 M N 2.952 122.667 119.600 0.193 0.000 2.303 372 M HA 0.424 4.907 4.480 0.006 0.000 0.350 372 M C 1.185 177.552 176.300 0.111 0.000 1.518 372 M CA 0.860 56.234 55.300 0.124 0.000 1.070 372 M CB -0.697 31.956 32.600 0.088 0.000 1.910 372 M HN 0.588 nan 8.290 nan 0.000 0.458 373 G N 3.628 112.474 108.800 0.076 0.000 2.148 373 G HA2 -0.198 3.766 3.960 0.006 0.000 0.254 373 G HA3 -0.198 3.766 3.960 0.006 0.000 0.254 373 G C 0.384 175.283 174.900 -0.000 0.000 0.981 373 G CA 0.385 45.503 45.100 0.031 0.000 0.670 373 G HN 0.711 nan 8.290 nan 0.000 0.528 374 E N -0.597 119.617 120.200 0.024 0.000 2.572 374 E HA 0.157 4.511 4.350 0.006 0.000 0.220 374 E C 1.814 178.393 176.600 -0.036 0.000 0.945 374 E CA 0.571 56.893 56.400 -0.129 0.000 1.070 374 E CB 0.214 29.725 29.700 -0.315 0.000 1.090 374 E HN 0.602 nan 8.360 nan 0.000 0.506 375 E N 0.329 120.591 120.200 0.103 0.000 2.051 375 E HA -0.178 4.176 4.350 0.006 0.000 0.192 375 E C 1.585 178.299 176.600 0.190 0.000 0.991 375 E CA 1.466 57.964 56.400 0.163 0.000 0.799 375 E CB -0.200 29.594 29.700 0.157 0.000 0.748 375 E HN 0.258 nan 8.360 nan 0.000 0.449 376 W N 1.904 123.210 121.300 0.010 0.000 2.480 376 W HA -0.009 4.654 4.660 0.005 0.000 0.299 376 W C 2.251 178.773 176.519 0.006 0.000 1.187 376 W CA 1.454 58.809 57.345 0.016 0.000 1.347 376 W CB 0.121 29.585 29.460 0.008 0.000 1.121 376 W HN -0.090 nan 8.180 nan 0.000 0.533 377 R N -0.104 120.427 120.500 0.051 0.000 2.119 377 R HA 0.102 4.446 4.340 0.006 0.000 0.222 377 R C 1.899 178.068 176.300 -0.218 0.000 1.088 377 R CA 1.286 57.291 56.100 -0.158 0.000 0.984 377 R CB -0.582 29.780 30.300 0.102 0.000 0.884 377 R HN 0.137 nan 8.270 nan 0.000 0.447 378 R N -0.439 119.910 120.500 -0.251 0.000 2.404 378 R HA 0.162 4.505 4.340 0.006 0.000 0.237 378 R C 0.224 176.446 176.300 -0.130 0.000 0.907 378 R CA 0.487 56.404 56.100 -0.306 0.000 1.063 378 R CB 1.219 31.047 30.300 -0.787 0.000 1.134 378 R HN 0.531 nan 8.270 nan 0.000 0.529 379 G N 0.934 109.705 108.800 -0.048 0.000 2.176 379 G HA2 -0.222 3.742 3.960 0.006 0.000 0.252 379 G HA3 -0.222 3.742 3.960 0.006 0.000 0.252 379 G C -0.389 174.709 174.900 0.330 0.000 1.024 379 G CA 0.008 45.177 45.100 0.115 0.000 0.755 379 G HN 0.124 nan 8.290 nan 0.000 0.507 380 W N -0.096 121.236 121.300 0.054 0.000 2.161 380 W HA 0.691 5.355 4.660 0.006 0.000 0.344 380 W C 0.750 177.336 176.519 0.112 0.000 1.262 380 W CA -0.655 56.724 57.345 0.058 0.000 1.270 380 W CB 0.412 29.883 29.460 0.019 0.000 1.126 380 W HN 0.214 nan 8.180 nan 0.000 0.598 381 H N 3.386 122.587 119.070 0.217 0.000 2.717 381 H HA 0.193 4.752 4.556 0.005 0.000 0.366 381 H C -1.600 173.773 175.328 0.075 0.000 1.132 381 H CA -1.924 54.203 56.048 0.131 0.000 1.180 381 H CB 2.833 32.630 29.762 0.059 0.000 1.678 381 H HN 0.008 nan 8.280 nan 0.000 0.537 382 P HA -0.102 nan 4.420 nan 0.000 0.220 382 P C 0.629 177.930 177.300 0.001 0.000 1.148 382 P CA 1.169 64.239 63.100 -0.050 0.000 0.803 382 P CB 0.845 32.533 31.700 -0.019 0.000 0.782 383 E N -0.944 119.320 120.200 0.108 0.000 2.306 383 E HA 0.141 4.495 4.350 0.006 0.000 0.201 383 E C 0.956 177.556 176.600 -0.001 0.000 0.874 383 E CA 0.259 56.646 56.400 -0.021 0.000 0.972 383 E CB 0.165 29.635 29.700 -0.385 0.000 0.957 383 E HN 0.208 nan 8.360 nan 0.000 0.492 384 R N 0.418 120.925 120.500 0.011 0.000 2.500 384 R HA 0.591 4.935 4.340 0.006 0.000 0.277 384 R C -0.203 176.056 176.300 -0.068 0.000 1.026 384 R CA -0.137 55.873 56.100 -0.151 0.000 1.058 384 R CB 1.089 31.163 30.300 -0.376 0.000 1.078 384 R HN -0.075 nan 8.270 nan 0.000 0.509 385 I N 1.109 121.625 120.570 -0.089 0.000 2.692 385 I HA 0.319 4.493 4.170 0.006 0.000 0.293 385 I C -0.238 175.838 176.117 -0.069 0.000 1.200 385 I CA -0.979 60.271 61.300 -0.083 0.000 1.036 385 I CB 2.248 40.181 38.000 -0.111 0.000 1.258 385 I HN 0.411 nan 8.210 nan 0.000 0.421 386 R N 2.735 123.207 120.500 -0.045 0.000 2.644 386 R HA 0.191 4.535 4.340 0.006 0.000 0.265 386 R C 0.315 176.589 176.300 -0.044 0.000 0.985 386 R CA 0.053 56.133 56.100 -0.032 0.000 1.097 386 R CB 0.240 30.538 30.300 -0.003 0.000 0.931 386 R HN 0.749 nan 8.270 nan 0.000 0.419 387 A N 3.127 125.912 122.820 -0.059 0.000 2.520 387 A HA 0.014 4.338 4.320 0.006 0.000 0.235 387 A C -0.094 177.426 177.584 -0.107 0.000 1.065 387 A CA -0.165 51.816 52.037 -0.093 0.000 0.764 387 A CB 0.071 19.016 19.000 -0.091 0.000 1.002 387 A HN 0.729 nan 8.150 nan 0.000 0.502 388 K N 1.241 121.492 120.400 -0.249 0.000 2.489 388 K HA 0.063 4.386 4.320 0.006 0.000 0.278 388 K C -0.172 176.299 176.600 -0.214 0.000 1.000 388 K CA 0.790 56.799 56.287 -0.464 0.000 1.012 388 K CB 0.517 32.295 32.500 -1.204 0.000 0.903 388 K HN 0.654 nan 8.250 nan 0.000 0.485 389 E N 0.687 120.880 120.200 -0.011 0.000 2.474 389 E HA 0.007 4.361 4.350 0.006 0.000 0.195 389 E C -0.376 176.257 176.600 0.056 0.000 1.039 389 E CA -0.175 56.249 56.400 0.040 0.000 0.881 389 E CB 0.726 30.485 29.700 0.098 0.000 0.970 389 E HN 0.680 nan 8.360 nan 0.000 0.486 390 S N -0.635 115.091 115.700 0.043 0.000 2.643 390 S HA 0.061 4.534 4.470 0.006 0.000 0.270 390 S C -0.565 174.064 174.600 0.048 0.000 1.166 390 S CA -0.721 57.543 58.200 0.107 0.000 0.815 390 S CB 0.934 64.278 63.200 0.240 0.000 1.139 390 S HN 0.125 nan 8.310 nan 0.000 0.472 391 D N 1.106 121.561 120.400 0.091 0.000 2.340 391 D HA 0.212 4.856 4.640 0.006 0.000 0.220 391 D C 1.012 177.396 176.300 0.140 0.000 1.039 391 D CA 0.152 54.194 54.000 0.069 0.000 0.866 391 D CB -0.255 40.579 40.800 0.057 0.000 0.913 391 D HN 0.715 nan 8.370 nan 0.000 0.523 392 A N 1.539 124.508 122.820 0.247 0.000 2.586 392 A HA 0.032 4.355 4.320 0.006 0.000 0.231 392 A C 0.453 178.174 177.584 0.228 0.000 1.055 392 A CA 0.003 52.204 52.037 0.272 0.000 0.756 392 A CB 0.027 19.157 19.000 0.216 0.000 0.988 392 A HN 0.335 nan 8.150 nan 0.000 0.509 393 R N 1.541 122.190 120.500 0.248 0.000 2.310 393 R HA 0.532 4.875 4.340 0.006 0.000 0.324 393 R C -1.473 174.986 176.300 0.265 0.000 0.955 393 R CA -0.406 55.826 56.100 0.220 0.000 0.830 393 R CB 0.895 31.311 30.300 0.193 0.000 1.154 393 R HN 0.528 nan 8.270 nan 0.000 0.458 394 V N 5.170 125.135 119.914 0.085 0.000 2.459 394 V HA 0.393 4.516 4.120 0.006 0.000 0.295 394 V C -0.499 175.543 176.094 -0.086 0.000 1.029 394 V CA -1.106 61.179 62.300 -0.026 0.000 0.874 394 V CB 1.316 32.911 31.823 -0.381 0.000 0.985 394 V HN 0.637 nan 8.190 nan 0.000 0.438 395 L N 6.039 127.133 121.223 -0.214 0.000 2.264 395 L HA 0.622 4.966 4.340 0.006 0.000 0.289 395 L C -0.311 176.395 176.870 -0.273 0.000 1.044 395 L CA 0.218 54.768 54.840 -0.483 0.000 0.807 395 L CB 1.407 42.834 42.059 -1.053 0.000 1.192 395 L HN 0.519 nan 8.230 nan 0.000 0.425 396 V N 6.132 125.910 119.914 -0.226 0.000 2.370 396 V HA 0.421 4.544 4.120 0.006 0.000 0.279 396 V C -0.210 175.799 176.094 -0.143 0.000 1.029 396 V CA -0.701 61.505 62.300 -0.156 0.000 0.870 396 V CB 1.538 33.279 31.823 -0.136 0.000 0.984 396 V HN 0.521 nan 8.190 nan 0.000 0.451 397 V N 3.996 123.847 119.914 -0.105 0.000 2.370 397 V HA 0.902 5.026 4.120 0.006 0.000 0.279 397 V C 0.590 176.658 176.094 -0.043 0.000 1.029 397 V CA 0.190 62.443 62.300 -0.079 0.000 0.870 397 V CB 0.666 32.452 31.823 -0.061 0.000 0.984 397 V HN 1.312 nan 8.190 nan 0.000 0.451 398 G N 3.911 112.689 108.800 -0.037 0.000 3.067 398 G HA2 0.346 4.310 3.960 0.006 0.000 0.686 398 G HA3 0.346 4.310 3.960 0.006 0.000 0.686 398 G C -0.289 174.596 174.900 -0.025 0.000 1.119 398 G CA -0.258 44.832 45.100 -0.018 0.000 0.790 398 G HN 1.652 nan 8.290 nan 0.000 0.605 399 A N 1.655 124.464 122.820 -0.019 0.000 2.985 399 A HA 0.820 5.143 4.320 0.006 0.000 0.303 399 A C 1.197 178.775 177.584 -0.011 0.000 1.048 399 A CA 1.044 53.066 52.037 -0.024 0.000 1.016 399 A CB -0.109 18.872 19.000 -0.031 0.000 1.118 399 A HN 2.158 nan 8.150 nan 0.000 0.529 400 G N 0.167 108.966 108.800 -0.001 0.000 2.509 400 G HA2 0.459 4.422 3.960 0.006 0.000 0.269 400 G HA3 0.459 4.422 3.960 0.006 0.000 0.269 400 G C -1.258 173.651 174.900 0.016 0.000 1.416 400 G CA -0.967 44.140 45.100 0.011 0.000 1.052 400 G HN 0.129 nan 8.290 nan 0.000 0.542 401 P HA -0.126 nan 4.420 nan 0.000 0.215 401 P C 2.280 179.600 177.300 0.033 0.000 1.153 401 P CA 2.399 65.523 63.100 0.040 0.000 0.853 401 P CB -0.007 31.727 31.700 0.057 0.000 0.788 402 S N -0.944 114.776 115.700 0.033 0.000 2.345 402 S HA -0.035 4.439 4.470 0.006 0.000 0.219 402 S C 2.386 176.979 174.600 -0.012 0.000 1.031 402 S CA 1.235 59.450 58.200 0.025 0.000 0.984 402 S CB -2.035 61.190 63.200 0.042 0.000 0.874 402 S HN 0.185 nan 8.310 nan 0.000 0.451 403 G N 2.260 111.050 108.800 -0.018 0.000 2.476 403 G HA2 -0.135 3.828 3.960 0.006 0.000 0.218 403 G HA3 -0.135 3.828 3.960 0.006 0.000 0.218 403 G C 1.497 176.365 174.900 -0.054 0.000 1.164 403 G CA 1.103 46.178 45.100 -0.042 0.000 0.768 403 G HN 0.482 nan 8.290 nan 0.000 0.560 404 L N -0.025 121.176 121.223 -0.038 0.000 2.079 404 L HA -0.089 4.255 4.340 0.006 0.000 0.210 404 L C 2.822 179.662 176.870 -0.050 0.000 1.081 404 L CA 1.668 56.482 54.840 -0.044 0.000 0.752 404 L CB -0.230 41.816 42.059 -0.022 0.000 0.896 404 L HN 0.317 nan 8.230 nan 0.000 0.433 405 E N 0.075 120.254 120.200 -0.035 0.000 2.076 405 E HA -0.114 4.240 4.350 0.006 0.000 0.190 405 E C 2.104 178.648 176.600 -0.094 0.000 0.979 405 E CA 1.184 57.558 56.400 -0.043 0.000 0.807 405 E CB -0.075 29.614 29.700 -0.018 0.000 0.761 405 E HN 0.312 nan 8.360 nan 0.000 0.454 406 A N 1.240 123.999 122.820 -0.103 0.000 1.884 406 A HA -0.216 4.107 4.320 0.006 0.000 0.219 406 A C 2.498 179.996 177.584 -0.145 0.000 1.197 406 A CA 2.726 54.681 52.037 -0.137 0.000 0.637 406 A CB -1.340 17.586 19.000 -0.125 0.000 0.827 406 A HN 0.423 nan 8.150 nan 0.000 0.450 407 A N -0.920 121.825 122.820 -0.125 0.000 1.930 407 A HA -0.135 4.189 4.320 0.006 0.000 0.217 407 A C 2.280 179.790 177.584 -0.122 0.000 1.175 407 A CA 1.651 53.610 52.037 -0.130 0.000 0.627 407 A CB -0.508 18.420 19.000 -0.120 0.000 0.815 407 A HN 0.560 nan 8.150 nan 0.000 0.443 408 R N -0.182 120.249 120.500 -0.114 0.000 2.070 408 R HA -0.114 4.229 4.340 0.006 0.000 0.233 408 R C 2.317 178.551 176.300 -0.109 0.000 1.137 408 R CA 1.609 57.639 56.100 -0.117 0.000 0.945 408 R CB -0.498 29.733 30.300 -0.114 0.000 0.845 408 R HN 0.409 nan 8.270 nan 0.000 0.430 409 A N 1.198 123.948 122.820 -0.117 0.000 1.902 409 A HA -0.109 4.215 4.320 0.006 0.000 0.217 409 A C 2.315 179.832 177.584 -0.111 0.000 1.181 409 A CA 1.165 53.123 52.037 -0.132 0.000 0.623 409 A CB -0.487 18.399 19.000 -0.191 0.000 0.818 409 A HN 0.357 nan 8.150 nan 0.000 0.443 410 L N -0.786 120.362 121.223 -0.125 0.000 2.093 410 L HA -0.078 4.266 4.340 0.006 0.000 0.208 410 L C 2.851 179.717 176.870 -0.007 0.000 1.085 410 L CA 0.888 55.677 54.840 -0.085 0.000 0.755 410 L CB -0.872 41.042 42.059 -0.242 0.000 0.904 410 L HN 0.487 nan 8.230 nan 0.000 0.435 411 G N -0.010 108.751 108.800 -0.064 0.000 2.514 411 G HA2 -0.265 3.698 3.960 0.006 0.000 0.217 411 G HA3 -0.265 3.698 3.960 0.006 0.000 0.217 411 G C 1.558 176.421 174.900 -0.063 0.000 1.198 411 G CA 1.142 46.204 45.100 -0.063 0.000 0.780 411 G HN 0.186 nan 8.290 nan 0.000 0.565 412 V N 0.888 120.758 119.914 -0.073 0.000 2.568 412 V HA -0.196 3.928 4.120 0.006 0.000 0.253 412 V C 2.901 178.951 176.094 -0.073 0.000 1.072 412 V CA 2.019 64.274 62.300 -0.076 0.000 1.084 412 V CB -0.464 31.312 31.823 -0.078 0.000 0.676 412 V HN 0.364 nan 8.190 nan 0.000 0.469 413 R N -0.244 120.228 120.500 -0.048 0.000 2.189 413 R HA 0.095 4.439 4.340 0.006 0.000 0.218 413 R C 1.802 178.003 176.300 -0.166 0.000 1.074 413 R CA 0.898 56.963 56.100 -0.058 0.000 0.991 413 R CB -0.102 30.248 30.300 0.083 0.000 0.883 413 R HN 0.605 nan 8.270 nan 0.000 0.457 414 G N -0.743 107.971 108.800 -0.144 0.000 2.184 414 G HA2 -0.238 3.725 3.960 0.006 0.000 0.206 414 G HA3 -0.238 3.725 3.960 0.006 0.000 0.206 414 G C -0.200 174.566 174.900 -0.223 0.000 0.995 414 G CA -0.569 44.415 45.100 -0.193 0.000 0.651 414 G HN 0.185 nan 8.290 nan 0.000 0.511 415 Y N 0.949 121.170 120.300 -0.131 0.000 2.357 415 Y HA 0.453 5.007 4.550 0.006 0.000 0.340 415 Y C 0.805 176.637 175.900 -0.115 0.000 1.260 415 Y CA 0.163 58.173 58.100 -0.150 0.000 1.425 415 Y CB 0.589 38.891 38.460 -0.263 0.000 1.326 415 Y HN 0.082 nan 8.280 nan 0.000 0.580 416 D N 1.744 122.204 120.400 0.100 0.000 2.365 416 D HA 0.273 4.916 4.640 0.006 0.000 0.237 416 D C -1.358 174.976 176.300 0.058 0.000 1.190 416 D CA -0.017 54.019 54.000 0.060 0.000 0.867 416 D CB 0.597 41.440 40.800 0.072 0.000 1.050 416 D HN 0.318 nan 8.370 nan 0.000 0.491 417 V N 4.210 124.134 119.914 0.017 0.000 2.656 417 V HA 0.610 4.734 4.120 0.006 0.000 0.307 417 V C -1.279 174.805 176.094 -0.017 0.000 1.051 417 V CA -0.560 61.725 62.300 -0.025 0.000 0.893 417 V CB 1.985 33.750 31.823 -0.097 0.000 0.999 417 V HN 0.230 nan 8.190 nan 0.000 0.426 418 V N 7.614 127.521 119.914 -0.011 0.000 2.417 418 V HA 0.487 4.611 4.120 0.006 0.000 0.291 418 V C -0.229 175.795 176.094 -0.117 0.000 1.024 418 V CA -0.573 61.722 62.300 -0.008 0.000 0.861 418 V CB 1.573 33.484 31.823 0.147 0.000 0.985 418 V HN 0.838 nan 8.190 nan 0.000 0.436 419 L N 5.081 126.230 121.223 -0.124 0.000 2.298 419 L HA 0.816 5.159 4.340 0.006 0.000 0.284 419 L C 0.010 176.830 176.870 -0.083 0.000 1.013 419 L CA -0.378 54.387 54.840 -0.126 0.000 0.824 419 L CB 1.368 43.348 42.059 -0.132 0.000 1.221 419 L HN 0.760 nan 8.230 nan 0.000 0.418 420 A N 4.301 127.075 122.820 -0.076 0.000 2.304 420 A HA 0.643 4.967 4.320 0.006 0.000 0.323 420 A C -0.796 176.774 177.584 -0.023 0.000 1.195 420 A CA -0.500 51.520 52.037 -0.028 0.000 0.826 420 A CB 1.363 20.314 19.000 -0.081 0.000 1.184 420 A HN 0.674 nan 8.150 nan 0.000 0.496 421 E N 1.915 122.120 120.200 0.008 0.000 2.256 421 E HA 0.658 5.012 4.350 0.006 0.000 0.268 421 E C 0.466 177.079 176.600 0.022 0.000 0.877 421 E CA 0.007 56.411 56.400 0.006 0.000 0.757 421 E CB 1.677 31.377 29.700 0.001 0.000 1.183 421 E HN 0.585 nan 8.360 nan 0.000 0.418 422 A N 3.602 126.434 122.820 0.020 0.000 1.898 422 A HA 0.209 4.532 4.320 0.006 0.000 0.216 422 A C 1.234 178.837 177.584 0.032 0.000 1.181 422 A CA 1.405 53.459 52.037 0.029 0.000 0.620 422 A CB -0.826 18.192 19.000 0.030 0.000 0.819 422 A HN 0.575 nan 8.150 nan 0.000 0.442 423 G N -2.345 106.472 108.800 0.029 0.000 2.535 423 G HA2 0.417 4.381 3.960 0.006 0.000 0.303 423 G HA3 0.417 4.381 3.960 0.006 0.000 0.303 423 G C 0.561 175.478 174.900 0.028 0.000 1.237 423 G CA -0.358 44.760 45.100 0.030 0.000 0.986 423 G HN 0.332 nan 8.290 nan 0.000 0.494 424 R N -0.998 119.518 120.500 0.027 0.000 2.105 424 R HA -0.018 4.326 4.340 0.006 0.000 0.239 424 R C 0.149 176.461 176.300 0.019 0.000 1.135 424 R CA 1.371 57.486 56.100 0.025 0.000 0.967 424 R CB -0.014 30.301 30.300 0.025 0.000 0.861 424 R HN 0.541 nan 8.270 nan 0.000 0.442 425 D N -1.212 119.196 120.400 0.015 0.000 2.269 425 D HA 0.251 4.895 4.640 0.006 0.000 0.244 425 D C -1.063 175.238 176.300 0.001 0.000 0.992 425 D CA -0.698 53.306 54.000 0.007 0.000 0.894 425 D CB 1.064 41.867 40.800 0.005 0.000 1.248 425 D HN -0.280 nan 8.370 nan 0.000 0.468 426 L N 1.638 122.858 121.223 -0.005 0.000 2.452 426 L HA 0.474 4.817 4.340 0.006 0.000 0.267 426 L C 1.693 178.558 176.870 -0.008 0.000 1.188 426 L CA 1.277 56.110 54.840 -0.012 0.000 0.821 426 L CB 0.819 42.865 42.059 -0.021 0.000 1.102 426 L HN 0.848 nan 8.230 nan 0.000 0.470 427 G N 0.381 109.176 108.800 -0.008 0.000 2.380 427 G HA2 0.061 4.025 3.960 0.006 0.000 0.197 427 G HA3 0.061 4.025 3.960 0.006 0.000 0.197 427 G C 0.783 175.681 174.900 -0.003 0.000 1.001 427 G CA 0.182 45.281 45.100 -0.001 0.000 0.668 427 G HN 1.372 nan 8.290 nan 0.000 0.483 428 G N 1.257 110.050 108.800 -0.011 0.000 2.651 428 G HA2 -0.308 3.656 3.960 0.006 0.000 0.315 428 G HA3 -0.308 3.656 3.960 0.006 0.000 0.315 428 G C 1.318 176.188 174.900 -0.050 0.000 1.258 428 G CA 2.731 47.822 45.100 -0.015 0.000 1.002 428 G HN 1.773 nan 8.290 nan 0.000 0.551 429 R N 0.124 120.608 120.500 -0.027 0.000 2.148 429 R HA 0.150 4.494 4.340 0.006 0.000 0.227 429 R C 2.483 178.768 176.300 -0.025 0.000 1.103 429 R CA 1.912 57.979 56.100 -0.055 0.000 0.983 429 R CB -0.668 29.674 30.300 0.069 0.000 0.874 429 R HN 0.442 nan 8.270 nan 0.000 0.451 430 V N 1.903 121.836 119.914 0.032 0.000 2.255 430 V HA -0.278 3.845 4.120 0.006 0.000 0.247 430 V C 2.233 178.345 176.094 0.030 0.000 1.051 430 V CA 2.535 64.879 62.300 0.074 0.000 1.018 430 V CB -0.714 31.155 31.823 0.077 0.000 0.641 430 V HN 0.493 nan 8.190 nan 0.000 0.445 431 T N -0.240 114.303 114.554 -0.018 0.000 2.652 431 T HA -0.284 4.069 4.350 0.006 0.000 0.267 431 T C 1.904 176.536 174.700 -0.113 0.000 1.039 431 T CA 1.956 64.030 62.100 -0.043 0.000 1.153 431 T CB -0.359 68.486 68.868 -0.040 0.000 0.863 431 T HN 0.604 nan 8.240 nan 0.000 0.428 432 Q N 0.654 120.304 119.800 -0.250 0.000 2.124 432 Q HA -0.118 4.225 4.340 0.006 0.000 0.202 432 Q C 2.349 178.084 176.000 -0.441 0.000 0.977 432 Q CA 1.261 56.749 55.803 -0.525 0.000 0.850 432 Q CB -0.159 27.851 28.738 -1.214 0.000 0.901 432 Q HN 0.629 nan 8.270 nan 0.000 0.429 433 E N 0.442 120.486 120.200 -0.261 0.000 2.076 433 E HA -0.084 4.270 4.350 0.006 0.000 0.190 433 E C 2.115 178.679 176.600 -0.059 0.000 0.979 433 E CA 1.115 57.492 56.400 -0.038 0.000 0.807 433 E CB 0.144 29.928 29.700 0.140 0.000 0.761 433 E HN 0.304 nan 8.360 nan 0.000 0.454 434 S N 1.152 116.833 115.700 -0.032 0.000 2.469 434 S HA -0.055 4.418 4.470 0.006 0.000 0.238 434 S C 2.050 176.608 174.600 -0.070 0.000 0.998 434 S CA 0.739 58.904 58.200 -0.058 0.000 0.957 434 S CB -0.051 63.169 63.200 0.032 0.000 0.764 434 S HN 0.259 nan 8.310 nan 0.000 0.514 435 A N 1.240 124.035 122.820 -0.042 0.000 2.119 435 A HA 0.330 4.653 4.320 0.006 0.000 0.216 435 A C 0.956 178.525 177.584 -0.025 0.000 1.152 435 A CA 0.132 52.157 52.037 -0.020 0.000 0.708 435 A CB -0.472 18.534 19.000 0.010 0.000 0.805 435 A HN 0.505 nan 8.150 nan 0.000 0.460 436 L N 0.750 121.948 121.223 -0.040 0.000 2.461 436 L HA 0.189 4.533 4.340 0.006 0.000 0.272 436 L C -2.200 174.591 176.870 -0.132 0.000 1.197 436 L CA -1.915 52.888 54.840 -0.062 0.000 0.836 436 L CB 0.000 42.028 42.059 -0.052 0.000 1.105 436 L HN 0.025 nan 8.230 nan 0.000 0.477 437 P HA -0.021 nan 4.420 nan 0.000 0.261 437 P C 0.768 177.938 177.300 -0.217 0.000 1.183 437 P CA 0.826 63.846 63.100 -0.134 0.000 0.761 437 P CB 0.540 32.180 31.700 -0.100 0.000 0.785 438 G N 2.766 111.432 108.800 -0.224 0.000 2.184 438 G HA2 -0.265 3.699 3.960 0.006 0.000 0.264 438 G HA3 -0.265 3.699 3.960 0.006 0.000 0.264 438 G C 0.444 175.110 174.900 -0.390 0.000 0.975 438 G CA 0.087 45.005 45.100 -0.302 0.000 0.642 438 G HN 0.525 nan 8.290 nan 0.000 0.536 439 L N 1.053 122.014 121.223 -0.437 0.000 2.857 439 L HA 0.174 4.518 4.340 0.006 0.000 0.249 439 L C 2.329 178.977 176.870 -0.370 0.000 1.172 439 L CA 0.612 55.025 54.840 -0.713 0.000 0.980 439 L CB 0.179 41.636 42.059 -1.003 0.000 1.299 439 L HN 0.231 nan 8.230 nan 0.000 0.535 440 S N 1.445 117.040 115.700 -0.175 0.000 2.380 440 S HA -0.283 4.190 4.470 0.006 0.000 0.229 440 S C 2.248 176.878 174.600 0.050 0.000 1.043 440 S CA 1.602 59.775 58.200 -0.045 0.000 1.038 440 S CB -0.229 62.955 63.200 -0.026 0.000 0.872 440 S HN 0.547 nan 8.310 nan 0.000 0.456 441 A N 0.756 123.637 122.820 0.102 0.000 2.019 441 A HA -0.060 4.263 4.320 0.006 0.000 0.219 441 A C 1.684 179.455 177.584 0.312 0.000 1.164 441 A CA 1.091 53.246 52.037 0.197 0.000 0.644 441 A CB -0.969 18.156 19.000 0.209 0.000 0.805 441 A HN 0.635 nan 8.150 nan 0.000 0.449 442 W N 0.232 121.516 121.300 -0.026 0.000 2.359 442 W HA -0.053 4.611 4.660 0.006 0.000 0.275 442 W C 2.306 178.821 176.519 -0.006 0.000 1.217 442 W CA 0.416 57.745 57.345 -0.027 0.000 1.196 442 W CB -1.279 28.142 29.460 -0.064 0.000 1.129 442 W HN 0.381 nan 8.180 nan 0.000 0.566 443 G N 0.342 109.273 108.800 0.218 0.000 2.499 443 G HA2 -0.280 3.684 3.960 0.006 0.000 0.221 443 G HA3 -0.280 3.684 3.960 0.006 0.000 0.221 443 G C 1.659 176.624 174.900 0.110 0.000 1.109 443 G CA 0.797 45.974 45.100 0.128 0.000 0.749 443 G HN 0.278 nan 8.290 nan 0.000 0.568 444 R N -0.229 120.342 120.500 0.118 0.000 2.152 444 R HA -0.005 4.338 4.340 0.006 0.000 0.232 444 R C 2.533 178.899 176.300 0.109 0.000 1.117 444 R CA 0.884 57.047 56.100 0.106 0.000 0.981 444 R CB -0.424 29.935 30.300 0.099 0.000 0.870 444 R HN 0.327 nan 8.270 nan 0.000 0.451 445 V N 1.911 121.876 119.914 0.085 0.000 2.332 445 V HA -0.317 3.806 4.120 0.006 0.000 0.248 445 V C 2.467 178.625 176.094 0.107 0.000 1.055 445 V CA 2.139 64.490 62.300 0.084 0.000 1.038 445 V CB -0.524 31.322 31.823 0.040 0.000 0.651 445 V HN 0.365 nan 8.190 nan 0.000 0.450 446 K N 0.202 120.651 120.400 0.082 0.000 2.062 446 K HA -0.197 4.127 4.320 0.006 0.000 0.205 446 K C 2.079 178.711 176.600 0.052 0.000 1.051 446 K CA 1.729 58.050 56.287 0.056 0.000 0.941 446 K CB -0.156 32.370 32.500 0.043 0.000 0.719 446 K HN 0.531 nan 8.250 nan 0.000 0.440 447 E N -0.243 120.001 120.200 0.074 0.000 2.038 447 E HA -0.249 4.104 4.350 0.006 0.000 0.195 447 E C 1.905 178.547 176.600 0.069 0.000 1.000 447 E CA 1.758 58.199 56.400 0.067 0.000 0.803 447 E CB -0.325 29.427 29.700 0.086 0.000 0.750 447 E HN 0.398 nan 8.360 nan 0.000 0.448 448 Y N 1.444 121.752 120.300 0.014 0.000 2.114 448 Y HA -0.276 4.278 4.550 0.006 0.000 0.282 448 Y C 2.201 178.099 175.900 -0.004 0.000 1.165 448 Y CA 1.841 59.947 58.100 0.009 0.000 1.148 448 Y CB -0.082 38.387 38.460 0.015 0.000 0.972 448 Y HN -0.162 nan 8.280 nan 0.000 0.504 449 R N 0.482 120.898 120.500 -0.140 0.000 2.081 449 R HA -0.126 4.218 4.340 0.006 0.000 0.235 449 R C 2.280 178.450 176.300 -0.216 0.000 1.131 449 R CA 1.879 57.838 56.100 -0.235 0.000 0.960 449 R CB -0.312 29.954 30.300 -0.057 0.000 0.856 449 R HN 0.509 nan 8.270 nan 0.000 0.436 450 E N -0.317 119.805 120.200 -0.129 0.000 2.106 450 E HA -0.140 4.213 4.350 0.006 0.000 0.192 450 E C 1.911 178.433 176.600 -0.129 0.000 0.984 450 E CA 1.123 57.458 56.400 -0.108 0.000 0.806 450 E CB -0.079 29.586 29.700 -0.058 0.000 0.750 450 E HN 0.401 nan 8.360 nan 0.000 0.458 451 A N 0.611 123.344 122.820 -0.145 0.000 1.969 451 A HA -0.106 4.218 4.320 0.006 0.000 0.218 451 A C 2.352 179.831 177.584 -0.176 0.000 1.169 451 A CA 0.970 52.934 52.037 -0.122 0.000 0.635 451 A CB -0.198 18.760 19.000 -0.069 0.000 0.810 451 A HN 0.118 nan 8.150 nan 0.000 0.445 452 V N -0.453 119.277 119.914 -0.306 0.000 2.649 452 V HA -0.086 4.037 4.120 0.006 0.000 0.248 452 V C 2.393 178.365 176.094 -0.203 0.000 1.054 452 V CA 1.168 63.291 62.300 -0.294 0.000 1.073 452 V CB -0.583 30.958 31.823 -0.469 0.000 0.699 452 V HN 0.522 nan 8.190 nan 0.000 0.463 453 L N 0.476 121.582 121.223 -0.194 0.000 2.083 453 L HA -0.132 4.211 4.340 0.006 0.000 0.209 453 L C 2.724 179.523 176.870 -0.117 0.000 1.083 453 L CA 1.462 56.215 54.840 -0.146 0.000 0.752 453 L CB -0.648 41.329 42.059 -0.136 0.000 0.899 453 L HN 0.364 nan 8.230 nan 0.000 0.433 454 A N -0.295 122.460 122.820 -0.109 0.000 1.940 454 A HA -0.173 4.151 4.320 0.006 0.000 0.219 454 A C 1.799 179.338 177.584 -0.075 0.000 1.176 454 A CA 1.386 53.374 52.037 -0.083 0.000 0.631 454 A CB -0.282 18.677 19.000 -0.068 0.000 0.814 454 A HN 0.392 nan 8.150 nan 0.000 0.446 455 E N -0.361 119.790 120.200 -0.082 0.000 2.416 455 E HA 0.182 4.536 4.350 0.006 0.000 0.189 455 E C -0.620 175.937 176.600 -0.071 0.000 1.091 455 E CA 0.170 56.529 56.400 -0.069 0.000 0.889 455 E CB -0.271 29.390 29.700 -0.065 0.000 1.015 455 E HN 0.571 nan 8.360 nan 0.000 0.479 456 L N 1.259 122.435 121.223 -0.079 0.000 2.345 456 L HA 0.279 4.622 4.340 0.006 0.000 0.274 456 L C -1.851 174.977 176.870 -0.069 0.000 0.999 456 L CA -1.751 53.044 54.840 -0.076 0.000 0.849 456 L CB 2.050 44.057 42.059 -0.087 0.000 1.220 456 L HN -0.227 nan 8.230 nan 0.000 0.422 457 P HA -0.059 nan 4.420 nan 0.000 0.222 457 P C 0.907 178.180 177.300 -0.046 0.000 1.153 457 P CA 0.672 63.743 63.100 -0.048 0.000 0.798 457 P CB 0.110 31.787 31.700 -0.038 0.000 0.796 458 N N -0.319 118.352 118.700 -0.048 0.000 2.571 458 N HA -0.023 4.721 4.740 0.006 0.000 0.189 458 N C -0.261 175.223 175.510 -0.044 0.000 1.154 458 N CA 0.454 53.481 53.050 -0.039 0.000 0.907 458 N CB -0.458 38.004 38.487 -0.041 0.000 0.977 458 N HN 0.012 nan 8.380 nan 0.000 0.449 459 V N 0.895 120.769 119.914 -0.067 0.000 2.378 459 V HA 0.262 4.385 4.120 0.006 0.000 0.288 459 V C -0.147 175.870 176.094 -0.129 0.000 1.016 459 V CA -0.854 61.392 62.300 -0.090 0.000 0.840 459 V CB 1.332 33.093 31.823 -0.104 0.000 0.994 459 V HN 0.060 nan 8.190 nan 0.000 0.431 460 E N 4.435 124.545 120.200 -0.151 0.000 2.227 460 E HA 0.608 4.962 4.350 0.006 0.000 0.282 460 E C -1.016 175.299 176.600 -0.475 0.000 1.015 460 E CA -0.367 55.846 56.400 -0.312 0.000 0.823 460 E CB 1.930 31.496 29.700 -0.223 0.000 1.081 460 E HN 0.573 nan 8.360 nan 0.000 0.396 461 I N 3.406 123.603 120.570 -0.620 0.000 2.389 461 I HA 0.256 4.430 4.170 0.006 0.000 0.288 461 I C -1.218 174.515 176.117 -0.639 0.000 0.999 461 I CA -0.720 60.291 61.300 -0.481 0.000 1.129 461 I CB 0.742 38.590 38.000 -0.252 0.000 1.288 461 I HN 0.418 nan 8.210 nan 0.000 0.444 462 Y N 5.299 125.574 120.300 -0.043 0.000 2.328 462 Y HA 0.428 4.981 4.550 0.006 0.000 0.336 462 Y C 0.991 176.873 175.900 -0.029 0.000 0.960 462 Y CA -1.108 56.973 58.100 -0.033 0.000 1.134 462 Y CB 1.424 39.859 38.460 -0.041 0.000 1.166 462 Y HN 0.481 nan 8.280 nan 0.000 0.464 463 R N 0.627 121.204 120.500 0.129 0.000 2.290 463 R HA 0.198 4.541 4.340 0.006 0.000 0.197 463 R C -0.399 175.938 176.300 0.062 0.000 0.913 463 R CA 0.342 56.480 56.100 0.064 0.000 1.040 463 R CB 0.476 30.795 30.300 0.031 0.000 0.992 463 R HN 0.605 nan 8.270 nan 0.000 0.500 464 E N 1.654 121.899 120.200 0.075 0.000 3.582 464 E HA 0.198 4.551 4.350 0.006 0.000 0.217 464 E C -1.063 175.568 176.600 0.052 0.000 1.092 464 E CA -0.233 56.200 56.400 0.055 0.000 1.365 464 E CB 1.410 31.139 29.700 0.049 0.000 1.278 464 E HN 0.078 nan 8.360 nan 0.000 0.439 465 S N 1.871 117.602 115.700 0.052 0.000 2.539 465 S HA 0.340 4.813 4.470 0.006 0.000 0.235 465 S C -2.543 172.077 174.600 0.033 0.000 1.326 465 S CA -1.269 56.957 58.200 0.043 0.000 1.183 465 S CB 0.942 64.168 63.200 0.043 0.000 1.073 465 S HN 0.109 nan 8.310 nan 0.000 0.480 466 P HA 0.353 nan 4.420 nan 0.000 0.272 466 P C -0.651 176.672 177.300 0.039 0.000 1.223 466 P CA -0.338 62.784 63.100 0.036 0.000 0.784 466 P CB 0.450 32.175 31.700 0.041 0.000 0.923 467 M N 1.146 120.765 119.600 0.032 0.000 2.393 467 M HA 0.369 4.853 4.480 0.006 0.000 0.299 467 M C -0.037 176.292 176.300 0.049 0.000 1.103 467 M CA -0.437 54.887 55.300 0.040 0.000 0.910 467 M CB 1.968 34.567 32.600 -0.001 0.000 1.659 467 M HN 0.341 nan 8.290 nan 0.000 0.445 468 T N -1.724 112.870 114.554 0.068 0.000 2.942 468 T HA 0.631 4.984 4.350 0.006 0.000 0.289 468 T C 1.166 175.907 174.700 0.067 0.000 1.044 468 T CA -0.232 61.905 62.100 0.060 0.000 1.023 468 T CB 1.810 70.713 68.868 0.058 0.000 1.123 468 T HN 0.788 nan 8.240 nan 0.000 0.512 469 G N 0.633 109.464 108.800 0.053 0.000 2.469 469 G HA2 -0.233 3.730 3.960 0.006 0.000 0.219 469 G HA3 -0.233 3.730 3.960 0.006 0.000 0.219 469 G C 1.073 176.013 174.900 0.067 0.000 1.150 469 G CA 0.977 46.108 45.100 0.051 0.000 0.763 469 G HN 0.817 nan 8.290 nan 0.000 0.561 470 D N 1.278 121.715 120.400 0.061 0.000 2.242 470 D HA -0.151 4.493 4.640 0.006 0.000 0.193 470 D C 2.177 178.539 176.300 0.102 0.000 1.005 470 D CA 1.540 55.578 54.000 0.063 0.000 0.856 470 D CB -0.463 40.365 40.800 0.047 0.000 1.001 470 D HN 0.215 nan 8.370 nan 0.000 0.452 471 D N 0.186 120.671 120.400 0.142 0.000 2.200 471 D HA -0.195 4.449 4.640 0.006 0.000 0.192 471 D C 2.290 178.841 176.300 0.418 0.000 1.008 471 D CA 0.731 54.897 54.000 0.276 0.000 0.872 471 D CB -0.502 40.493 40.800 0.326 0.000 0.923 471 D HN 0.363 nan 8.370 nan 0.000 0.447 472 I N 0.291 121.033 120.570 0.286 0.000 2.252 472 I HA -0.200 3.973 4.170 0.006 0.000 0.245 472 I C 2.475 178.784 176.117 0.320 0.000 1.102 472 I CA 0.525 62.020 61.300 0.325 0.000 1.385 472 I CB -0.005 38.091 38.000 0.160 0.000 1.064 472 I HN -0.112 nan 8.210 nan 0.000 0.414 473 V N 0.489 120.515 119.914 0.187 0.000 2.323 473 V HA -0.205 3.919 4.120 0.006 0.000 0.244 473 V C 2.371 178.522 176.094 0.094 0.000 1.041 473 V CA 1.660 64.031 62.300 0.119 0.000 1.025 473 V CB -0.631 31.230 31.823 0.064 0.000 0.656 473 V HN 0.401 nan 8.190 nan 0.000 0.451 474 E N -0.232 120.014 120.200 0.076 0.000 2.058 474 E HA -0.240 4.113 4.350 0.006 0.000 0.194 474 E C 2.071 178.635 176.600 -0.059 0.000 0.997 474 E CA 1.502 57.890 56.400 -0.021 0.000 0.801 474 E CB -0.302 29.350 29.700 -0.080 0.000 0.746 474 E HN 0.581 nan 8.360 nan 0.000 0.450 475 F N 0.256 120.220 119.950 0.023 0.000 2.494 475 F HA -0.014 4.517 4.527 0.006 0.000 0.298 475 F C 1.735 177.420 175.800 -0.192 0.000 1.106 475 F CA 1.197 59.172 58.000 -0.043 0.000 1.452 475 F CB -0.150 38.925 39.000 0.124 0.000 1.085 475 F HN 0.145 nan 8.300 nan 0.000 0.569 476 G N -0.342 108.497 108.800 0.064 0.000 2.176 476 G HA2 -0.326 3.637 3.960 0.006 0.000 0.252 476 G HA3 -0.326 3.637 3.960 0.006 0.000 0.252 476 G C 0.079 174.950 174.900 -0.048 0.000 1.024 476 G CA -0.491 44.597 45.100 -0.021 0.000 0.755 476 G HN 0.179 nan 8.290 nan 0.000 0.507 477 F N 0.303 120.305 119.950 0.087 0.000 2.472 477 F HA 0.466 4.997 4.527 0.006 0.000 0.364 477 F C 1.482 177.286 175.800 0.007 0.000 1.090 477 F CA -0.010 58.025 58.000 0.058 0.000 1.188 477 F CB 1.352 40.385 39.000 0.054 0.000 1.105 477 F HN 0.147 nan 8.300 nan 0.000 0.536 478 E N 1.449 121.748 120.200 0.166 0.000 2.250 478 E HA -0.006 4.348 4.350 0.006 0.000 0.192 478 E C -0.310 176.112 176.600 -0.297 0.000 0.986 478 E CA 0.828 57.165 56.400 -0.104 0.000 0.849 478 E CB 0.214 29.800 29.700 -0.189 0.000 0.797 478 E HN 0.435 nan 8.360 nan 0.000 0.482 479 H N -0.987 118.202 119.070 0.198 0.000 2.759 479 H HA 0.453 5.012 4.556 0.006 0.000 0.354 479 H C -1.116 174.279 175.328 0.111 0.000 1.074 479 H CA -0.798 55.356 56.048 0.177 0.000 1.226 479 H CB 1.544 31.498 29.762 0.320 0.000 1.648 479 H HN -0.198 nan 8.280 nan 0.000 0.529 480 V N 4.010 124.030 119.914 0.177 0.000 2.876 480 V HA 0.413 4.537 4.120 0.006 0.000 0.312 480 V C -0.050 176.078 176.094 0.056 0.000 1.085 480 V CA -0.728 61.600 62.300 0.048 0.000 0.945 480 V CB 2.740 34.567 31.823 0.007 0.000 1.017 480 V HN 0.565 nan 8.190 nan 0.000 0.428 481 I N 1.861 122.428 120.570 -0.006 0.000 2.418 481 I HA 0.385 4.559 4.170 0.006 0.000 0.287 481 I C 0.055 176.161 176.117 -0.019 0.000 1.008 481 I CA -0.008 61.285 61.300 -0.011 0.000 1.104 481 I CB 2.179 40.152 38.000 -0.045 0.000 1.264 481 I HN 0.564 nan 8.210 nan 0.000 0.438 482 T N 6.132 120.696 114.554 0.016 0.000 2.832 482 T HA 0.486 4.840 4.350 0.006 0.000 0.313 482 T C 0.206 174.914 174.700 0.013 0.000 1.035 482 T CA -0.310 61.815 62.100 0.040 0.000 0.950 482 T CB 0.428 69.387 68.868 0.152 0.000 0.984 482 T HN 0.623 nan 8.240 nan 0.000 0.486 483 A N 3.185 126.006 122.820 0.001 0.000 3.219 483 A HA 0.384 4.708 4.320 0.006 0.000 0.314 483 A C 1.482 179.074 177.584 0.014 0.000 1.081 483 A CA -0.611 51.427 52.037 0.002 0.000 0.995 483 A CB -0.308 18.683 19.000 -0.016 0.000 1.067 483 A HN 0.742 nan 8.150 nan 0.000 0.533 484 T N -2.866 111.705 114.554 0.028 0.000 3.107 484 T HA 0.456 4.810 4.350 0.006 0.000 0.249 484 T C 1.213 175.932 174.700 0.031 0.000 1.096 484 T CA 0.667 62.786 62.100 0.031 0.000 1.012 484 T CB -0.182 68.712 68.868 0.044 0.000 0.977 484 T HN 1.912 nan 8.240 nan 0.000 0.527 485 G N 1.184 110.001 108.800 0.028 0.000 2.642 485 G HA2 0.311 4.274 3.960 0.006 0.000 0.231 485 G HA3 0.311 4.274 3.960 0.006 0.000 0.231 485 G C -0.330 174.569 174.900 -0.001 0.000 1.338 485 G CA -0.416 44.695 45.100 0.020 0.000 0.883 485 G HN 1.402 nan 8.290 nan 0.000 0.570 486 A N -1.506 121.299 122.820 -0.026 0.000 2.572 486 A HA 1.001 5.325 4.320 0.006 0.000 0.295 486 A C 0.004 177.541 177.584 -0.078 0.000 1.072 486 A CA 0.723 52.710 52.037 -0.084 0.000 0.691 486 A CB 1.467 20.363 19.000 -0.174 0.000 1.291 486 A HN 2.137 nan 8.150 nan 0.000 0.404 487 T N -1.031 113.478 114.554 -0.076 0.000 2.925 487 T HA 0.563 4.916 4.350 0.006 0.000 0.285 487 T C -0.748 173.909 174.700 -0.073 0.000 1.021 487 T CA -0.285 61.816 62.100 0.002 0.000 1.042 487 T CB 0.796 69.693 68.868 0.047 0.000 1.037 487 T HN 0.514 nan 8.240 nan 0.000 0.481 488 W N 2.498 123.816 121.300 0.031 0.000 2.358 488 W HA 0.377 5.040 4.660 0.006 0.000 0.307 488 W C 1.050 177.563 176.519 -0.010 0.000 1.203 488 W CA -0.888 56.457 57.345 -0.000 0.000 1.279 488 W CB 0.466 29.909 29.460 -0.029 0.000 1.264 488 W HN 0.390 nan 8.180 nan 0.000 0.474 489 R N 1.536 122.132 120.500 0.160 0.000 2.644 489 R HA -0.062 4.282 4.340 0.006 0.000 0.265 489 R C 0.667 177.045 176.300 0.130 0.000 0.985 489 R CA 0.760 56.929 56.100 0.115 0.000 1.097 489 R CB 0.276 30.633 30.300 0.096 0.000 0.931 489 R HN 0.467 nan 8.270 nan 0.000 0.419 490 T N 0.002 114.606 114.554 0.085 0.000 3.043 490 T HA -0.017 4.336 4.350 0.006 0.000 0.272 490 T C 0.482 175.214 174.700 0.053 0.000 0.990 490 T CA 0.050 62.189 62.100 0.065 0.000 0.897 490 T CB 0.175 69.070 68.868 0.045 0.000 1.111 490 T HN 0.660 nan 8.240 nan 0.000 0.529 491 D N 0.457 120.889 120.400 0.054 0.000 2.339 491 D HA 0.242 4.886 4.640 0.006 0.000 0.217 491 D C 1.528 177.855 176.300 0.044 0.000 1.050 491 D CA 0.758 54.779 54.000 0.034 0.000 0.856 491 D CB -0.312 40.503 40.800 0.025 0.000 0.922 491 D HN 0.396 nan 8.370 nan 0.000 0.518 492 G N -0.563 108.299 108.800 0.103 0.000 2.176 492 G HA2 -0.226 3.738 3.960 0.006 0.000 0.232 492 G HA3 -0.226 3.738 3.960 0.006 0.000 0.232 492 G C 0.029 175.088 174.900 0.265 0.000 0.986 492 G CA 0.090 45.305 45.100 0.192 0.000 0.643 492 G HN 0.360 nan 8.290 nan 0.000 0.522 493 V N 0.492 120.514 119.914 0.180 0.000 2.546 493 V HA 0.781 4.905 4.120 0.006 0.000 0.284 493 V C 0.886 177.073 176.094 0.156 0.000 1.050 493 V CA 1.118 63.531 62.300 0.189 0.000 0.981 493 V CB 1.194 33.085 31.823 0.112 0.000 0.990 493 V HN 1.318 nan 8.190 nan 0.000 0.474 494 A N 4.891 127.810 122.820 0.165 0.000 1.717 494 A HA 0.355 4.679 4.320 0.006 0.000 0.130 494 A C 1.376 179.022 177.584 0.103 0.000 1.521 494 A CA 0.107 52.208 52.037 0.107 0.000 2.623 494 A CB 0.238 19.287 19.000 0.082 0.000 2.723 494 A HN 0.585 nan 8.150 nan 0.000 1.296 495 R N -1.864 118.721 120.500 0.143 0.000 2.306 495 R HA 0.385 4.728 4.340 0.006 0.000 0.183 495 R C 1.857 178.226 176.300 0.116 0.000 0.937 495 R CA 0.717 56.887 56.100 0.118 0.000 1.118 495 R CB -0.301 30.080 30.300 0.135 0.000 1.224 495 R HN 0.391 nan 8.270 nan 0.000 0.597 496 F N 2.036 122.000 119.950 0.024 0.000 2.102 496 F HA -0.053 4.477 4.527 0.006 0.000 0.298 496 F C 0.735 176.399 175.800 -0.225 0.000 1.105 496 F CA 1.303 59.246 58.000 -0.095 0.000 1.239 496 F CB 0.205 39.147 39.000 -0.097 0.000 0.991 496 F HN -0.011 nan 8.300 nan 0.000 0.474 497 H N -0.088 119.161 119.070 0.297 0.000 2.489 497 H HA 0.205 4.765 4.556 0.006 0.000 0.322 497 H C 1.205 176.580 175.328 0.079 0.000 1.091 497 H CA 0.583 56.716 56.048 0.142 0.000 1.291 497 H CB 1.332 31.216 29.762 0.203 0.000 1.436 497 H HN 0.131 nan 8.280 nan 0.000 0.480 498 T N -0.854 113.776 114.554 0.127 0.000 3.044 498 T HA 0.065 4.419 4.350 0.006 0.000 0.250 498 T C 0.666 175.413 174.700 0.079 0.000 1.081 498 T CA -0.070 62.075 62.100 0.076 0.000 1.040 498 T CB 0.060 68.939 68.868 0.018 0.000 0.962 498 T HN 0.572 nan 8.240 nan 0.000 0.506 499 T N 0.436 115.054 114.554 0.106 0.000 2.906 499 T HA 0.776 5.129 4.350 0.006 0.000 0.295 499 T C -0.072 174.660 174.700 0.053 0.000 1.061 499 T CA -0.764 61.375 62.100 0.065 0.000 1.000 499 T CB 1.591 70.483 68.868 0.041 0.000 1.103 499 T HN 0.364 nan 8.240 nan 0.000 0.486 500 A N 2.172 125.002 122.820 0.017 0.000 2.598 500 A HA 0.407 4.731 4.320 0.006 0.000 0.239 500 A C 0.466 177.999 177.584 -0.086 0.000 1.032 500 A CA -0.211 51.813 52.037 -0.021 0.000 0.760 500 A CB -0.886 18.106 19.000 -0.012 0.000 0.946 500 A HN 1.074 nan 8.150 nan 0.000 0.512 501 L N 1.875 122.992 121.223 -0.178 0.000 2.399 501 L HA 0.783 5.127 4.340 0.006 0.000 0.265 501 L C -2.497 174.297 176.870 -0.126 0.000 1.089 501 L CA -2.115 52.576 54.840 -0.248 0.000 0.802 501 L CB -0.134 41.630 42.059 -0.491 0.000 1.180 501 L HN 0.332 nan 8.230 nan 0.000 0.454 502 P HA 0.362 nan 4.420 nan 0.000 0.271 502 P C -0.941 176.324 177.300 -0.058 0.000 1.220 502 P CA 0.396 63.461 63.100 -0.059 0.000 0.768 502 P CB 0.464 32.139 31.700 -0.043 0.000 0.848 503 I N 2.109 122.654 120.570 -0.042 0.000 2.466 503 I HA 0.377 4.551 4.170 0.006 0.000 0.279 503 I C 0.460 176.562 176.117 -0.026 0.000 1.033 503 I CA -1.078 60.200 61.300 -0.036 0.000 1.123 503 I CB 1.539 39.521 38.000 -0.030 0.000 1.237 503 I HN 0.325 nan 8.210 nan 0.000 0.460 504 A N 4.290 127.095 122.820 -0.025 0.000 2.520 504 A HA 0.002 4.326 4.320 0.006 0.000 0.235 504 A C 1.365 178.940 177.584 -0.015 0.000 1.065 504 A CA 0.106 52.132 52.037 -0.018 0.000 0.764 504 A CB 0.299 19.288 19.000 -0.018 0.000 1.002 504 A HN 0.878 nan 8.150 nan 0.000 0.502 505 E N 1.794 121.987 120.200 -0.011 0.000 2.160 505 E HA -0.131 4.222 4.350 0.006 0.000 0.195 505 E C 1.814 178.410 176.600 -0.008 0.000 0.991 505 E CA 1.891 58.286 56.400 -0.008 0.000 0.810 505 E CB -0.321 29.376 29.700 -0.006 0.000 0.742 505 E HN 0.819 nan 8.360 nan 0.000 0.466 506 G N -0.172 108.623 108.800 -0.009 0.000 2.534 506 G HA2 -0.110 3.854 3.960 0.006 0.000 0.217 506 G HA3 -0.110 3.854 3.960 0.006 0.000 0.217 506 G C 0.506 175.400 174.900 -0.009 0.000 1.128 506 G CA 0.208 45.303 45.100 -0.008 0.000 0.784 506 G HN 0.193 nan 8.290 nan 0.000 0.542 507 M N 1.084 120.676 119.600 -0.013 0.000 2.188 507 M HA 0.332 4.816 4.480 0.006 0.000 0.357 507 M C 0.094 176.385 176.300 -0.016 0.000 1.204 507 M CA -0.892 54.398 55.300 -0.016 0.000 1.095 507 M CB 1.278 33.865 32.600 -0.022 0.000 1.604 507 M HN 0.111 nan 8.290 nan 0.000 0.464 508 Q N 3.517 123.306 119.800 -0.017 0.000 2.297 508 Q HA 0.425 4.768 4.340 0.006 0.000 0.267 508 Q C -1.612 174.370 176.000 -0.030 0.000 1.006 508 Q CA -0.175 55.616 55.803 -0.020 0.000 0.896 508 Q CB 0.590 29.317 28.738 -0.019 0.000 1.186 508 Q HN 0.677 nan 8.270 nan 0.000 0.392 509 V N 6.617 126.514 119.914 -0.029 0.000 2.443 509 V HA 0.410 4.533 4.120 0.006 0.000 0.293 509 V C -0.224 175.847 176.094 -0.038 0.000 1.021 509 V CA -0.598 61.683 62.300 -0.032 0.000 0.848 509 V CB 1.325 33.137 31.823 -0.019 0.000 0.998 509 V HN 0.719 nan 8.190 nan 0.000 0.424 510 L N 3.479 124.665 121.223 -0.062 0.000 2.313 510 L HA 0.962 5.306 4.340 0.006 0.000 0.268 510 L C 0.673 177.484 176.870 -0.097 0.000 1.010 510 L CA -0.535 54.257 54.840 -0.080 0.000 0.814 510 L CB 2.097 44.088 42.059 -0.113 0.000 1.304 510 L HN 0.713 nan 8.230 nan 0.000 0.441 511 G N -0.473 108.260 108.800 -0.113 0.000 2.816 511 G HA2 0.524 4.487 3.960 0.006 0.000 0.288 511 G HA3 0.524 4.487 3.960 0.006 0.000 0.288 511 G C -2.535 172.186 174.900 -0.299 0.000 1.334 511 G CA -0.991 44.017 45.100 -0.154 0.000 0.978 511 G HN 0.325 nan 8.290 nan 0.000 0.493 512 P HA -0.023 nan 4.420 nan 0.000 0.220 512 P C 0.961 177.740 177.300 -0.867 0.000 1.148 512 P CA 0.940 63.507 63.100 -0.888 0.000 0.803 512 P CB 0.297 31.246 31.700 -1.251 0.000 0.782 513 D N -0.383 119.879 120.400 -0.231 0.000 2.123 513 D HA -0.170 4.474 4.640 0.006 0.000 0.196 513 D C 1.481 177.780 176.300 -0.000 0.000 0.992 513 D CA 1.170 55.208 54.000 0.064 0.000 0.833 513 D CB -0.766 40.130 40.800 0.159 0.000 0.954 513 D HN 0.222 nan 8.370 nan 0.000 0.455 514 D N 0.192 120.544 120.400 -0.080 0.000 2.097 514 D HA -0.112 4.531 4.640 0.006 0.000 0.195 514 D C 2.199 178.449 176.300 -0.084 0.000 0.989 514 D CA 0.442 54.404 54.000 -0.062 0.000 0.827 514 D CB -0.235 40.520 40.800 -0.075 0.000 0.966 514 D HN 0.129 nan 8.370 nan 0.000 0.456 515 L N 0.245 121.345 121.223 -0.205 0.000 2.083 515 L HA -0.108 4.236 4.340 0.006 0.000 0.209 515 L C 2.205 179.054 176.870 -0.035 0.000 1.083 515 L CA 1.078 55.807 54.840 -0.185 0.000 0.752 515 L CB -0.960 40.898 42.059 -0.336 0.000 0.899 515 L HN -0.035 nan 8.230 nan 0.000 0.433 516 F N -0.232 119.709 119.950 -0.015 0.000 2.234 516 F HA -0.025 4.505 4.527 0.006 0.000 0.299 516 F C 2.399 178.209 175.800 0.017 0.000 1.087 516 F CA 0.580 58.584 58.000 0.008 0.000 1.340 516 F CB -1.371 37.650 39.000 0.035 0.000 1.031 516 F HN 0.068 nan 8.300 nan 0.000 0.500 517 A N -0.612 122.327 122.820 0.198 0.000 2.235 517 A HA 0.401 4.724 4.320 0.006 0.000 0.208 517 A C 2.133 179.764 177.584 0.079 0.000 1.172 517 A CA 0.987 53.096 52.037 0.121 0.000 0.786 517 A CB -1.118 17.937 19.000 0.092 0.000 0.804 517 A HN 0.608 nan 8.150 nan 0.000 0.479 518 G N -0.888 107.955 108.800 0.071 0.000 2.217 518 G HA2 -0.257 3.707 3.960 0.006 0.000 0.246 518 G HA3 -0.257 3.707 3.960 0.006 0.000 0.246 518 G C 0.408 175.326 174.900 0.030 0.000 0.990 518 G CA 0.099 45.229 45.100 0.050 0.000 0.627 518 G HN 0.586 nan 8.290 nan 0.000 0.522 519 R N 0.034 120.544 120.500 0.018 0.000 2.570 519 R HA 0.485 4.829 4.340 0.006 0.000 0.277 519 R C 0.021 176.311 176.300 -0.017 0.000 1.039 519 R CA 0.459 56.561 56.100 0.003 0.000 1.065 519 R CB 0.362 30.658 30.300 -0.007 0.000 0.964 519 R HN 0.362 nan 8.270 nan 0.000 0.428 520 L N 4.218 125.441 121.223 0.000 0.000 2.401 520 L HA 0.421 4.765 4.340 0.006 0.000 0.266 520 L C -2.083 174.783 176.870 -0.006 0.000 0.991 520 L CA -2.586 52.250 54.840 -0.007 0.000 0.818 520 L CB 2.288 44.404 42.059 0.094 0.000 1.321 520 L HN 0.401 nan 8.230 nan 0.000 0.413 521 P HA -0.038 nan 4.420 nan 0.000 0.264 521 P C -0.456 176.905 177.300 0.102 0.000 1.179 521 P CA 0.045 63.090 63.100 -0.092 0.000 0.763 521 P CB 1.043 32.556 31.700 -0.312 0.000 0.806 522 D N 1.164 121.607 120.400 0.073 0.000 2.091 522 D HA -0.020 4.623 4.640 0.006 0.000 0.199 522 D C 1.407 177.782 176.300 0.125 0.000 0.980 522 D CA 1.327 55.381 54.000 0.090 0.000 0.831 522 D CB -0.345 40.480 40.800 0.043 0.000 0.987 522 D HN 0.512 nan 8.370 nan 0.000 0.460 523 G N -0.289 108.582 108.800 0.119 0.000 2.537 523 G HA2 0.237 4.200 3.960 0.006 0.000 0.297 523 G HA3 0.237 4.200 3.960 0.006 0.000 0.297 523 G C 0.780 175.794 174.900 0.190 0.000 1.310 523 G CA -0.153 45.011 45.100 0.107 0.000 1.027 523 G HN 0.029 nan 8.290 nan 0.000 0.505 524 K N -0.653 119.815 120.400 0.112 0.000 2.076 524 K HA 0.077 4.401 4.320 0.006 0.000 0.204 524 K C 0.817 177.532 176.600 0.192 0.000 1.051 524 K CA 0.827 57.182 56.287 0.114 0.000 0.949 524 K CB -0.056 32.454 32.500 0.016 0.000 0.726 524 K HN 0.243 nan 8.250 nan 0.000 0.443 525 K N 1.495 121.960 120.400 0.109 0.000 2.276 525 K HA 0.226 4.550 4.320 0.006 0.000 0.285 525 K C -1.262 175.364 176.600 0.043 0.000 1.062 525 K CA -0.527 55.803 56.287 0.072 0.000 0.918 525 K CB 1.960 34.478 32.500 0.031 0.000 1.055 525 K HN -0.082 nan 8.250 nan 0.000 0.477 526 V N 3.164 123.087 119.914 0.015 0.000 2.680 526 V HA 0.328 4.452 4.120 0.006 0.000 0.309 526 V C -0.274 175.791 176.094 -0.049 0.000 1.052 526 V CA -1.073 61.194 62.300 -0.055 0.000 0.908 526 V CB 2.018 33.742 31.823 -0.164 0.000 1.001 526 V HN 0.398 nan 8.190 nan 0.000 0.431 527 V N 4.524 124.406 119.914 -0.053 0.000 2.398 527 V HA 0.385 4.508 4.120 0.006 0.000 0.286 527 V C -0.155 175.912 176.094 -0.045 0.000 1.026 527 V CA -0.517 61.758 62.300 -0.042 0.000 0.868 527 V CB 1.943 33.745 31.823 -0.036 0.000 0.982 527 V HN 0.650 nan 8.190 nan 0.000 0.443 528 V N 5.887 125.775 119.914 -0.043 0.000 2.364 528 V HA 0.222 4.345 4.120 0.006 0.000 0.272 528 V C -0.453 175.659 176.094 0.030 0.000 1.036 528 V CA -0.664 61.607 62.300 -0.049 0.000 0.880 528 V CB 0.869 32.637 31.823 -0.092 0.000 0.991 528 V HN 0.737 nan 8.190 nan 0.000 0.460 529 Y N 4.679 124.918 120.300 -0.101 0.000 2.504 529 Y HA 0.422 4.976 4.550 0.006 0.000 0.351 529 Y C 0.025 175.861 175.900 -0.106 0.000 0.988 529 Y CA -1.547 56.502 58.100 -0.084 0.000 1.239 529 Y CB 0.705 39.133 38.460 -0.053 0.000 1.128 529 Y HN 0.737 nan 8.280 nan 0.000 0.525 530 D N 4.411 124.600 120.400 -0.351 0.000 2.473 530 D HA 0.120 4.764 4.640 0.006 0.000 0.226 530 D C -0.680 175.196 176.300 -0.705 0.000 1.089 530 D CA -0.199 53.522 54.000 -0.464 0.000 0.883 530 D CB 0.514 41.153 40.800 -0.268 0.000 1.029 530 D HN 0.626 nan 8.370 nan 0.000 0.517 531 D N 2.235 122.144 120.400 -0.818 0.000 2.559 531 D HA 0.072 4.716 4.640 0.006 0.000 0.234 531 D C 0.642 176.632 176.300 -0.518 0.000 1.226 531 D CA -0.075 53.499 54.000 -0.710 0.000 0.830 531 D CB 0.359 40.885 40.800 -0.456 0.000 1.028 531 D HN 0.475 nan 8.370 nan 0.000 0.492 532 D N -1.140 118.960 120.400 -0.499 0.000 2.323 532 D HA -0.072 4.572 4.640 0.006 0.000 0.218 532 D C 0.514 176.775 176.300 -0.064 0.000 0.973 532 D CA 0.523 54.423 54.000 -0.166 0.000 0.890 532 D CB 0.189 40.955 40.800 -0.057 0.000 1.011 532 D HN 0.124 nan 8.370 nan 0.000 0.499 533 H N -2.325 116.768 119.070 0.038 0.000 3.395 533 H HA -0.243 4.317 4.556 0.006 0.000 0.222 533 H C -0.131 175.351 175.328 0.257 0.000 1.099 533 H CA 1.213 57.330 56.048 0.115 0.000 1.182 533 H CB -2.009 27.818 29.762 0.109 0.000 1.188 533 H HN 0.357 nan 8.280 nan 0.000 0.317 534 Y N 1.296 121.650 120.300 0.090 0.000 3.248 534 Y HA 0.177 4.731 4.550 0.006 0.000 0.373 534 Y C 2.078 178.059 175.900 0.135 0.000 1.239 534 Y CA 0.006 58.203 58.100 0.162 0.000 1.021 534 Y CB -0.810 37.669 38.460 0.032 0.000 1.195 534 Y HN -0.073 nan 8.280 nan 0.000 0.890 535 Y N -0.489 119.723 120.300 -0.146 0.000 2.314 535 Y HA 0.112 4.666 4.550 0.006 0.000 0.294 535 Y C 1.922 177.749 175.900 -0.121 0.000 1.119 535 Y CA 1.070 59.075 58.100 -0.158 0.000 1.179 535 Y CB -1.039 37.219 38.460 -0.337 0.000 1.025 535 Y HN 0.257 nan 8.280 nan 0.000 0.541 536 L N 1.820 122.656 121.223 -0.644 0.000 2.046 536 L HA 0.068 4.412 4.340 0.006 0.000 0.208 536 L C 2.521 179.217 176.870 -0.290 0.000 1.077 536 L CA 2.061 56.642 54.840 -0.432 0.000 0.747 536 L CB -1.226 40.469 42.059 -0.607 0.000 0.896 536 L HN 0.417 nan 8.230 nan 0.000 0.432 537 G N -1.002 107.625 108.800 -0.287 0.000 2.513 537 G HA2 -0.310 3.653 3.960 0.006 0.000 0.219 537 G HA3 -0.310 3.653 3.960 0.006 0.000 0.219 537 G C 1.506 176.328 174.900 -0.131 0.000 1.160 537 G CA 0.807 45.773 45.100 -0.223 0.000 0.767 537 G HN 0.593 nan 8.290 nan 0.000 0.571 538 G N 0.074 108.835 108.800 -0.065 0.000 2.404 538 G HA2 -0.083 3.880 3.960 0.006 0.000 0.215 538 G HA3 -0.083 3.880 3.960 0.006 0.000 0.215 538 G C 1.811 176.697 174.900 -0.024 0.000 1.174 538 G CA 1.201 46.296 45.100 -0.009 0.000 0.780 538 G HN 0.337 nan 8.290 nan 0.000 0.537 539 V N 0.581 120.476 119.914 -0.032 0.000 2.255 539 V HA -0.200 3.923 4.120 0.006 0.000 0.247 539 V C 3.016 179.060 176.094 -0.083 0.000 1.051 539 V CA 1.614 63.880 62.300 -0.056 0.000 1.018 539 V CB -0.659 31.141 31.823 -0.040 0.000 0.641 539 V HN 0.224 nan 8.190 nan 0.000 0.445 540 V N 0.129 119.968 119.914 -0.125 0.000 2.282 540 V HA -0.317 3.806 4.120 0.006 0.000 0.249 540 V C 2.687 178.707 176.094 -0.124 0.000 1.057 540 V CA 2.274 64.480 62.300 -0.158 0.000 1.032 540 V CB -1.050 30.625 31.823 -0.246 0.000 0.645 540 V HN 0.588 nan 8.190 nan 0.000 0.447 541 A N -1.070 121.688 122.820 -0.103 0.000 1.902 541 A HA -0.239 4.084 4.320 0.006 0.000 0.217 541 A C 2.167 179.729 177.584 -0.038 0.000 1.181 541 A CA 1.768 53.763 52.037 -0.071 0.000 0.623 541 A CB -0.514 18.454 19.000 -0.053 0.000 0.818 541 A HN 0.603 nan 8.150 nan 0.000 0.443 542 E N -0.780 119.402 120.200 -0.031 0.000 2.086 542 E HA -0.266 4.088 4.350 0.006 0.000 0.200 542 E C 1.970 178.561 176.600 -0.015 0.000 1.012 542 E CA 1.593 57.983 56.400 -0.017 0.000 0.812 542 E CB -0.322 29.360 29.700 -0.031 0.000 0.743 542 E HN 0.554 nan 8.360 nan 0.000 0.453 543 L N 0.966 122.170 121.223 -0.032 0.000 2.017 543 L HA -0.196 4.148 4.340 0.006 0.000 0.208 543 L C 2.207 179.088 176.870 0.018 0.000 1.073 543 L CA 1.526 56.354 54.840 -0.019 0.000 0.745 543 L CB -0.301 41.732 42.059 -0.044 0.000 0.894 543 L HN 0.107 nan 8.230 nan 0.000 0.432 544 L N -0.659 120.562 121.223 -0.003 0.000 2.046 544 L HA -0.187 4.157 4.340 0.006 0.000 0.208 544 L C 2.699 179.686 176.870 0.195 0.000 1.077 544 L CA 1.204 56.078 54.840 0.058 0.000 0.747 544 L CB -0.982 41.007 42.059 -0.118 0.000 0.896 544 L HN 0.411 nan 8.230 nan 0.000 0.432 545 A N -0.644 122.233 122.820 0.094 0.000 1.873 545 A HA -0.227 4.096 4.320 0.006 0.000 0.215 545 A C 2.197 179.817 177.584 0.060 0.000 1.186 545 A CA 1.278 53.364 52.037 0.082 0.000 0.616 545 A CB -0.501 18.526 19.000 0.045 0.000 0.823 545 A HN 0.435 nan 8.150 nan 0.000 0.442 546 Q N -1.008 118.819 119.800 0.044 0.000 2.248 546 Q HA -0.212 4.132 4.340 0.006 0.000 0.208 546 Q C 1.516 177.536 176.000 0.032 0.000 0.984 546 Q CA 1.778 57.598 55.803 0.029 0.000 0.875 546 Q CB -0.107 28.641 28.738 0.018 0.000 0.910 546 Q HN 0.494 nan 8.270 nan 0.000 0.433 547 K N -1.448 118.996 120.400 0.074 0.000 2.404 547 K HA 0.072 4.396 4.320 0.006 0.000 0.194 547 K C 0.596 177.157 176.600 -0.065 0.000 1.023 547 K CA 0.637 56.960 56.287 0.059 0.000 1.094 547 K CB 0.682 33.292 32.500 0.184 0.000 0.841 547 K HN 0.303 nan 8.250 nan 0.000 0.523 548 G N -0.639 108.132 108.800 -0.047 0.000 2.179 548 G HA2 -0.261 3.703 3.960 0.006 0.000 0.220 548 G HA3 -0.261 3.703 3.960 0.006 0.000 0.220 548 G C -0.331 174.464 174.900 -0.175 0.000 0.990 548 G CA -0.309 44.709 45.100 -0.136 0.000 0.646 548 G HN 0.203 nan 8.290 nan 0.000 0.517 549 Y N 1.431 121.720 120.300 -0.018 0.000 2.326 549 Y HA 0.476 5.030 4.550 0.006 0.000 0.333 549 Y C 1.106 176.995 175.900 -0.018 0.000 1.240 549 Y CA -0.115 57.973 58.100 -0.020 0.000 1.365 549 Y CB 0.562 39.007 38.460 -0.025 0.000 1.289 549 Y HN 0.139 nan 8.280 nan 0.000 0.548 550 E N 1.856 122.147 120.200 0.153 0.000 2.115 550 E HA 0.403 4.756 4.350 0.006 0.000 0.282 550 E C -1.264 175.378 176.600 0.070 0.000 0.987 550 E CA -0.464 55.983 56.400 0.079 0.000 0.797 550 E CB 1.413 31.142 29.700 0.048 0.000 1.086 550 E HN 0.256 nan 8.360 nan 0.000 0.397 551 V N 2.351 122.291 119.914 0.043 0.000 2.540 551 V HA 0.316 4.439 4.120 0.006 0.000 0.302 551 V C -0.201 175.893 176.094 -0.000 0.000 1.035 551 V CA -0.723 61.586 62.300 0.015 0.000 0.873 551 V CB 2.072 33.902 31.823 0.011 0.000 0.992 551 V HN 0.554 nan 8.190 nan 0.000 0.428 552 S N 4.812 120.504 115.700 -0.014 0.000 2.482 552 S HA 0.697 5.171 4.470 0.006 0.000 0.303 552 S C -0.444 174.144 174.600 -0.020 0.000 1.091 552 S CA -0.499 57.690 58.200 -0.018 0.000 1.057 552 S CB 1.300 64.483 63.200 -0.028 0.000 1.031 552 S HN 0.545 nan 8.310 nan 0.000 0.485 553 I N 2.498 123.060 120.570 -0.013 0.000 2.353 553 I HA 0.443 4.616 4.170 0.006 0.000 0.293 553 I C -0.706 175.419 176.117 0.013 0.000 0.992 553 I CA -0.896 60.400 61.300 -0.007 0.000 1.268 553 I CB 1.245 39.240 38.000 -0.007 0.000 1.387 553 I HN 0.183 nan 8.210 nan 0.000 0.478 554 V N 5.162 125.106 119.914 0.050 0.000 2.384 554 V HA 0.467 4.590 4.120 0.006 0.000 0.287 554 V C -0.038 176.144 176.094 0.146 0.000 1.020 554 V CA -0.231 62.129 62.300 0.099 0.000 0.850 554 V CB 1.642 33.531 31.823 0.109 0.000 0.987 554 V HN 0.887 nan 8.190 nan 0.000 0.436 555 T N 4.505 119.127 114.554 0.113 0.000 2.916 555 T HA 0.374 4.728 4.350 0.006 0.000 0.298 555 T C -2.399 172.369 174.700 0.113 0.000 1.031 555 T CA -1.608 60.548 62.100 0.094 0.000 0.993 555 T CB 2.258 71.184 68.868 0.096 0.000 1.045 555 T HN 0.261 nan 8.240 nan 0.000 0.454 556 P HA 0.042 nan 4.420 nan 0.000 0.222 556 P C 0.998 178.326 177.300 0.046 0.000 1.147 556 P CA 0.688 63.806 63.100 0.030 0.000 0.790 556 P CB -0.038 31.710 31.700 0.080 0.000 0.780 557 G N -0.597 108.297 108.800 0.157 0.000 2.572 557 G HA2 0.293 4.257 3.960 0.006 0.000 0.261 557 G HA3 0.293 4.257 3.960 0.006 0.000 0.261 557 G C 1.038 175.986 174.900 0.080 0.000 1.197 557 G CA 0.135 45.280 45.100 0.075 0.000 0.870 557 G HN 0.113 nan 8.290 nan 0.000 0.548 558 A N 0.194 123.064 122.820 0.083 0.000 2.168 558 A HA 0.216 4.539 4.320 0.006 0.000 0.215 558 A C 1.122 178.765 177.584 0.097 0.000 1.152 558 A CA 0.947 53.049 52.037 0.109 0.000 0.716 558 A CB -0.063 19.014 19.000 0.128 0.000 0.794 558 A HN 0.640 nan 8.150 nan 0.000 0.465 559 Q N -1.414 118.444 119.800 0.097 0.000 2.416 559 Q HA 0.501 4.845 4.340 0.006 0.000 0.281 559 Q C -1.293 174.778 176.000 0.117 0.000 1.067 559 Q CA -0.877 54.983 55.803 0.095 0.000 0.809 559 Q CB 2.707 31.494 28.738 0.081 0.000 1.418 559 Q HN 0.038 nan 8.270 nan 0.000 0.411 560 V N 1.746 121.722 119.914 0.104 0.000 2.572 560 V HA 0.032 4.156 4.120 0.006 0.000 0.291 560 V C 0.116 176.295 176.094 0.141 0.000 1.039 560 V CA 0.506 62.871 62.300 0.107 0.000 1.055 560 V CB 0.949 32.817 31.823 0.076 0.000 0.969 560 V HN 0.990 nan 8.190 nan 0.000 0.482 561 S N 2.774 118.580 115.700 0.176 0.000 3.858 561 S HA -0.170 4.304 4.470 0.006 0.000 0.356 561 S C 1.380 176.142 174.600 0.271 0.000 1.013 561 S CA 0.624 58.970 58.200 0.243 0.000 1.083 561 S CB -1.339 62.002 63.200 0.234 0.000 0.883 561 S HN 1.174 nan 8.310 nan 0.000 0.475 562 S N 0.020 115.876 115.700 0.260 0.000 2.423 562 S HA -0.118 4.356 4.470 0.006 0.000 0.231 562 S C 1.366 176.066 174.600 0.167 0.000 1.014 562 S CA 0.639 58.943 58.200 0.174 0.000 0.965 562 S CB -0.515 62.758 63.200 0.122 0.000 0.785 562 S HN 0.868 nan 8.310 nan 0.000 0.495 563 W N 3.941 125.286 121.300 0.075 0.000 2.387 563 W HA -0.202 4.462 4.660 0.006 0.000 0.272 563 W C 1.641 178.147 176.519 -0.022 0.000 1.224 563 W CA 1.916 59.253 57.345 -0.012 0.000 1.210 563 W CB -0.793 28.625 29.460 -0.068 0.000 1.125 563 W HN 0.534 nan 8.180 nan 0.000 0.572 564 T N -1.532 113.108 114.554 0.144 0.000 3.051 564 T HA -0.182 4.171 4.350 0.006 0.000 0.269 564 T C 1.559 176.170 174.700 -0.148 0.000 1.127 564 T CA 1.069 63.212 62.100 0.072 0.000 1.107 564 T CB -0.718 68.320 68.868 0.285 0.000 0.898 564 T HN 0.118 nan 8.240 nan 0.000 0.517 565 N N 2.479 121.063 118.700 -0.194 0.000 2.144 565 N HA -0.161 4.582 4.740 0.006 0.000 0.195 565 N C 1.437 176.612 175.510 -0.557 0.000 1.006 565 N CA 1.496 54.361 53.050 -0.308 0.000 0.880 565 N CB -0.372 37.963 38.487 -0.254 0.000 1.018 565 N HN 0.539 nan 8.380 nan 0.000 0.443 566 N N -0.146 118.134 118.700 -0.700 0.000 2.446 566 N HA -0.043 4.701 4.740 0.006 0.000 0.179 566 N C 1.330 176.444 175.510 -0.661 0.000 1.054 566 N CA 0.923 53.477 53.050 -0.827 0.000 0.905 566 N CB 0.082 37.791 38.487 -1.297 0.000 0.973 566 N HN 0.440 nan 8.380 nan 0.000 0.448 567 T N -3.366 110.915 114.554 -0.455 0.000 3.085 567 T HA 0.188 4.541 4.350 0.006 0.000 0.264 567 T C 0.283 174.931 174.700 -0.086 0.000 1.019 567 T CA -0.443 61.545 62.100 -0.187 0.000 0.910 567 T CB -0.408 68.517 68.868 0.095 0.000 1.059 567 T HN 0.006 nan 8.240 nan 0.000 0.542 568 F N 1.378 121.214 119.950 -0.190 0.000 3.084 568 F HA -0.191 4.340 4.527 0.005 0.000 0.286 568 F C 0.993 176.722 175.800 -0.119 0.000 0.855 568 F CA 0.877 58.767 58.000 -0.183 0.000 1.091 568 F CB -2.367 36.468 39.000 -0.276 0.000 1.177 568 F HN 0.414 nan 8.300 nan 0.000 0.542 569 E N -0.818 119.418 120.200 0.062 0.000 2.431 569 E HA 0.065 4.418 4.350 0.006 0.000 0.200 569 E C 2.035 178.616 176.600 -0.032 0.000 0.995 569 E CA 0.624 57.039 56.400 0.025 0.000 0.915 569 E CB 0.163 29.998 29.700 0.226 0.000 0.930 569 E HN 0.353 nan 8.360 nan 0.000 0.496 570 V N 2.475 122.396 119.914 0.012 0.000 2.278 570 V HA -0.345 3.779 4.120 0.006 0.000 0.251 570 V C 1.646 177.737 176.094 -0.005 0.000 1.062 570 V CA 2.189 64.505 62.300 0.027 0.000 1.038 570 V CB -0.293 31.540 31.823 0.017 0.000 0.646 570 V HN 0.298 nan 8.190 nan 0.000 0.447 571 N N 0.284 118.965 118.700 -0.032 0.000 2.084 571 N HA -0.162 4.581 4.740 0.006 0.000 0.190 571 N C 1.863 177.309 175.510 -0.108 0.000 1.030 571 N CA 1.986 55.010 53.050 -0.045 0.000 0.849 571 N CB -0.543 37.925 38.487 -0.032 0.000 1.012 571 N HN 0.572 nan 8.380 nan 0.000 0.423 572 R N 0.697 121.044 120.500 -0.256 0.000 2.083 572 R HA -0.014 4.330 4.340 0.006 0.000 0.237 572 R C 2.204 178.328 176.300 -0.294 0.000 1.137 572 R CA 0.879 56.682 56.100 -0.494 0.000 0.951 572 R CB -0.416 29.128 30.300 -1.260 0.000 0.851 572 R HN 0.207 nan 8.270 nan 0.000 0.434 573 I N 1.647 122.143 120.570 -0.125 0.000 2.151 573 I HA -0.297 3.876 4.170 0.006 0.000 0.243 573 I C 2.420 178.597 176.117 0.099 0.000 1.080 573 I CA 1.651 63.045 61.300 0.157 0.000 1.339 573 I CB -1.276 36.836 38.000 0.186 0.000 1.039 573 I HN 0.253 nan 8.210 nan 0.000 0.409 574 Q N 0.300 120.128 119.800 0.048 0.000 2.079 574 Q HA -0.175 4.169 4.340 0.006 0.000 0.200 574 Q C 2.293 178.320 176.000 0.046 0.000 0.974 574 Q CA 1.129 56.962 55.803 0.050 0.000 0.840 574 Q CB -0.598 28.163 28.738 0.040 0.000 0.898 574 Q HN 0.545 nan 8.270 nan 0.000 0.430 575 R N 1.060 121.577 120.500 0.028 0.000 2.081 575 R HA -0.150 4.194 4.340 0.006 0.000 0.235 575 R C 2.283 178.621 176.300 0.063 0.000 1.131 575 R CA 1.524 57.644 56.100 0.033 0.000 0.960 575 R CB -0.017 30.290 30.300 0.012 0.000 0.856 575 R HN 0.028 nan 8.270 nan 0.000 0.436 576 R N 0.733 121.294 120.500 0.102 0.000 2.120 576 R HA -0.045 4.298 4.340 0.006 0.000 0.234 576 R C 2.078 178.437 176.300 0.099 0.000 1.123 576 R CA 1.399 57.584 56.100 0.142 0.000 0.975 576 R CB -0.439 30.029 30.300 0.281 0.000 0.866 576 R HN 0.322 nan 8.270 nan 0.000 0.446 577 L N -0.441 120.833 121.223 0.086 0.000 2.072 577 L HA -0.013 4.330 4.340 0.006 0.000 0.205 577 L C 2.288 179.186 176.870 0.047 0.000 1.079 577 L CA 1.034 55.910 54.840 0.061 0.000 0.752 577 L CB -0.346 41.747 42.059 0.057 0.000 0.906 577 L HN 0.156 nan 8.230 nan 0.000 0.436 578 I N -0.098 120.499 120.570 0.046 0.000 2.454 578 I HA -0.254 3.920 4.170 0.006 0.000 0.254 578 I C 2.114 178.252 176.117 0.035 0.000 1.156 578 I CA 1.295 62.617 61.300 0.036 0.000 1.433 578 I CB -0.152 37.868 38.000 0.034 0.000 1.082 578 I HN 0.288 nan 8.210 nan 0.000 0.432 579 E N 0.219 120.444 120.200 0.042 0.000 2.371 579 E HA -0.059 4.294 4.350 0.006 0.000 0.194 579 E C 1.069 177.690 176.600 0.035 0.000 1.012 579 E CA 0.275 56.699 56.400 0.039 0.000 0.860 579 E CB 0.127 29.855 29.700 0.047 0.000 0.811 579 E HN 0.369 nan 8.360 nan 0.000 0.502 580 N N -0.377 118.344 118.700 0.036 0.000 2.270 580 N HA 0.058 4.802 4.740 0.006 0.000 0.198 580 N C 0.603 176.129 175.510 0.026 0.000 1.117 580 N CA 0.694 53.763 53.050 0.030 0.000 0.845 580 N CB 1.302 39.808 38.487 0.032 0.000 0.980 580 N HN 0.209 nan 8.380 nan 0.000 0.486 581 G N -0.081 108.734 108.800 0.025 0.000 2.143 581 G HA2 -0.271 3.693 3.960 0.006 0.000 0.248 581 G HA3 -0.271 3.693 3.960 0.006 0.000 0.248 581 G C -0.045 174.867 174.900 0.020 0.000 0.991 581 G CA 0.329 45.441 45.100 0.021 0.000 0.689 581 G HN 0.179 nan 8.290 nan 0.000 0.522 582 V N 0.930 120.857 119.914 0.022 0.000 2.555 582 V HA 0.601 4.724 4.120 0.006 0.000 0.286 582 V C 1.085 177.187 176.094 0.015 0.000 1.044 582 V CA -0.169 62.142 62.300 0.018 0.000 1.026 582 V CB 1.213 33.046 31.823 0.017 0.000 0.981 582 V HN 1.115 nan 8.190 nan 0.000 0.480 583 A N 6.141 128.966 122.820 0.007 0.000 2.409 583 A HA 0.454 4.778 4.320 0.006 0.000 0.267 583 A C 0.432 178.018 177.584 0.003 0.000 1.127 583 A CA -0.347 51.692 52.037 0.002 0.000 0.795 583 A CB -0.036 18.958 19.000 -0.009 0.000 1.061 583 A HN 0.854 nan 8.150 nan 0.000 0.502 584 R N 2.158 122.665 120.500 0.012 0.000 2.204 584 R HA 0.383 4.726 4.340 0.006 0.000 0.341 584 R C -1.107 175.203 176.300 0.016 0.000 1.035 584 R CA -0.325 55.788 56.100 0.022 0.000 0.887 584 R CB 1.157 31.479 30.300 0.037 0.000 1.114 584 R HN 0.446 nan 8.270 nan 0.000 0.473 585 V N 3.610 123.526 119.914 0.004 0.000 2.217 585 V HA 0.105 4.228 4.120 0.006 0.000 0.264 585 V C 0.650 176.782 176.094 0.063 0.000 1.107 585 V CA -0.698 61.587 62.300 -0.025 0.000 0.913 585 V CB 0.335 32.079 31.823 -0.131 0.000 1.153 585 V HN 0.797 nan 8.190 nan 0.000 0.469 586 T N -0.680 113.946 114.554 0.118 0.000 2.874 586 T HA 0.389 4.743 4.350 0.006 0.000 0.281 586 T C 0.308 175.129 174.700 0.200 0.000 0.994 586 T CA -0.327 61.858 62.100 0.141 0.000 1.015 586 T CB 1.108 70.043 68.868 0.112 0.000 1.028 586 T HN 0.579 nan 8.240 nan 0.000 0.523 587 D N 0.019 120.443 120.400 0.041 0.000 2.981 587 D HA -0.144 4.500 4.640 0.006 0.000 0.223 587 D C -0.525 175.529 176.300 -0.409 0.000 1.151 587 D CA 1.133 55.005 54.000 -0.212 0.000 0.827 587 D CB -1.681 38.995 40.800 -0.207 0.000 1.101 587 D HN 0.851 nan 8.370 nan 0.000 0.426 588 H N -1.071 117.901 119.070 -0.163 0.000 2.806 588 H HA 0.712 5.271 4.556 0.006 0.000 0.367 588 H C -0.176 175.008 175.328 -0.241 0.000 1.136 588 H CA -0.063 55.872 56.048 -0.189 0.000 1.178 588 H CB 1.767 31.462 29.762 -0.111 0.000 1.718 588 H HN 0.113 nan 8.280 nan 0.000 0.540 589 A N 2.289 124.913 122.820 -0.327 0.000 2.325 589 A HA 0.571 4.894 4.320 0.006 0.000 0.333 589 A C -0.596 176.785 177.584 -0.339 0.000 1.155 589 A CA -0.712 51.045 52.037 -0.467 0.000 0.814 589 A CB 0.881 19.082 19.000 -1.331 0.000 1.206 589 A HN 0.501 nan 8.150 nan 0.000 0.482 590 V N 2.859 122.405 119.914 -0.613 0.000 2.470 590 V HA 0.194 4.317 4.120 0.006 0.000 0.276 590 V C 1.190 177.137 176.094 -0.244 0.000 1.040 590 V CA 0.780 62.749 62.300 -0.551 0.000 1.008 590 V CB 0.987 32.250 31.823 -0.933 0.000 0.990 590 V HN 1.007 nan 8.190 nan 0.000 0.477 591 V N 2.054 121.916 119.914 -0.088 0.000 3.604 591 V HA 0.767 4.890 4.120 0.006 0.000 0.277 591 V C 0.493 176.560 176.094 -0.045 0.000 1.399 591 V CA 0.543 62.874 62.300 0.051 0.000 1.034 591 V CB 0.209 32.113 31.823 0.136 0.000 0.824 591 V HN 0.868 nan 8.190 nan 0.000 0.439 592 A N -0.208 122.563 122.820 -0.083 0.000 2.547 592 A HA 0.783 5.107 4.320 0.006 0.000 0.297 592 A C -1.246 176.285 177.584 -0.087 0.000 1.056 592 A CA -0.400 51.591 52.037 -0.077 0.000 0.688 592 A CB 2.141 21.116 19.000 -0.042 0.000 1.282 592 A HN 0.343 nan 8.150 nan 0.000 0.400 593 V N 2.158 122.025 119.914 -0.078 0.000 2.357 593 V HA 0.666 4.790 4.120 0.006 0.000 0.284 593 V C 0.877 176.944 176.094 -0.045 0.000 1.018 593 V CA 0.261 62.523 62.300 -0.064 0.000 0.841 593 V CB 1.306 33.092 31.823 -0.062 0.000 0.991 593 V HN 1.246 nan 8.190 nan 0.000 0.437 594 G N 2.603 111.380 108.800 -0.038 0.000 2.491 594 G HA2 0.557 4.520 3.960 0.006 0.000 0.327 594 G HA3 0.557 4.520 3.960 0.006 0.000 0.327 594 G C 1.022 175.908 174.900 -0.024 0.000 1.189 594 G CA 0.045 45.128 45.100 -0.028 0.000 0.956 594 G HN 0.880 nan 8.290 nan 0.000 0.491 595 A N -0.314 122.495 122.820 -0.018 0.000 1.915 595 A HA 0.018 4.342 4.320 0.006 0.000 0.220 595 A C 2.125 179.700 177.584 -0.015 0.000 1.198 595 A CA 2.603 54.631 52.037 -0.015 0.000 0.647 595 A CB -0.638 18.356 19.000 -0.011 0.000 0.825 595 A HN 1.452 nan 8.150 nan 0.000 0.456 596 G N -2.704 106.086 108.800 -0.015 0.000 3.596 596 G HA2 0.510 4.474 3.960 0.006 0.000 0.274 596 G HA3 0.510 4.474 3.960 0.006 0.000 0.274 596 G C 0.310 175.199 174.900 -0.018 0.000 1.007 596 G CA 0.849 45.941 45.100 -0.014 0.000 0.825 596 G HN 1.223 nan 8.290 nan 0.000 0.508 597 G N -0.879 107.907 108.800 -0.024 0.000 2.490 597 G HA2 0.589 4.553 3.960 0.006 0.000 0.308 597 G HA3 0.589 4.553 3.960 0.006 0.000 0.308 597 G C -1.563 173.313 174.900 -0.040 0.000 1.286 597 G CA 0.235 45.317 45.100 -0.030 0.000 0.825 597 G HN 0.975 nan 8.290 nan 0.000 0.479 598 V N -2.840 117.044 119.914 -0.050 0.000 2.914 598 V HA 0.909 5.033 4.120 0.006 0.000 0.314 598 V C -0.309 175.748 176.094 -0.062 0.000 1.084 598 V CA -0.789 61.471 62.300 -0.066 0.000 0.963 598 V CB 1.565 33.333 31.823 -0.091 0.000 1.025 598 V HN 0.873 nan 8.190 nan 0.000 0.432 599 T N 3.324 117.840 114.554 -0.063 0.000 2.749 599 T HA 0.630 4.984 4.350 0.006 0.000 0.287 599 T C -0.035 174.629 174.700 -0.060 0.000 0.970 599 T CA -0.264 61.809 62.100 -0.046 0.000 0.980 599 T CB 1.073 69.926 68.868 -0.025 0.000 0.924 599 T HN 1.304 nan 8.240 nan 0.000 0.456 600 V N 1.862 121.751 119.914 -0.041 0.000 2.630 600 V HA 0.751 4.874 4.120 0.006 0.000 0.305 600 V C -0.183 175.945 176.094 0.057 0.000 1.046 600 V CA -1.241 61.046 62.300 -0.021 0.000 0.934 600 V CB 1.720 33.522 31.823 -0.034 0.000 1.003 600 V HN 0.839 nan 8.190 nan 0.000 0.451 601 R N 1.928 122.451 120.500 0.039 0.000 2.534 601 R HA 0.397 4.741 4.340 0.006 0.000 0.301 601 R C -1.009 175.227 176.300 -0.106 0.000 0.961 601 R CA -0.511 55.601 56.100 0.020 0.000 0.871 601 R CB 1.697 32.009 30.300 0.021 0.000 1.170 601 R HN 1.072 nan 8.270 nan 0.000 0.446 602 D N 1.791 122.075 120.400 -0.194 0.000 2.424 602 D HA -0.045 4.598 4.640 0.006 0.000 0.244 602 D C 1.203 177.289 176.300 -0.357 0.000 1.134 602 D CA 0.206 53.874 54.000 -0.552 0.000 0.881 602 D CB 1.542 42.133 40.800 -0.347 0.000 1.191 602 D HN 0.595 nan 8.370 nan 0.000 0.445 603 T N 1.246 115.492 114.554 -0.514 0.000 2.951 603 T HA -0.161 4.192 4.350 0.006 0.000 0.268 603 T C 1.417 175.951 174.700 -0.277 0.000 1.073 603 T CA 0.925 62.800 62.100 -0.376 0.000 1.134 603 T CB -0.390 68.182 68.868 -0.494 0.000 0.884 603 T HN 0.455 nan 8.240 nan 0.000 0.479 604 Y N 1.827 122.097 120.300 -0.050 0.000 2.230 604 Y HA 0.592 5.145 4.550 0.006 0.000 0.294 604 Y C 2.742 178.636 175.900 -0.011 0.000 1.120 604 Y CA -0.078 58.009 58.100 -0.022 0.000 1.129 604 Y CB -0.684 37.758 38.460 -0.030 0.000 1.040 604 Y HN 0.343 nan 8.280 nan 0.000 0.519 605 A N -1.431 121.465 122.820 0.126 0.000 2.470 605 A HA 0.402 4.726 4.320 0.006 0.000 0.251 605 A C 1.134 178.745 177.584 0.045 0.000 1.245 605 A CA 0.536 52.620 52.037 0.078 0.000 0.932 605 A CB -0.290 18.753 19.000 0.073 0.000 1.037 605 A HN 0.205 nan 8.150 nan 0.000 0.522 606 S N -1.089 114.626 115.700 0.024 0.000 3.380 606 S HA -0.177 4.297 4.470 0.006 0.000 0.300 606 S C 0.254 174.871 174.600 0.028 0.000 1.255 606 S CA 0.924 59.141 58.200 0.028 0.000 0.963 606 S CB -1.945 61.283 63.200 0.045 0.000 1.106 606 S HN 0.609 nan 8.310 nan 0.000 0.629 607 I N 1.846 122.430 120.570 0.024 0.000 2.618 607 I HA 0.061 4.234 4.170 0.006 0.000 0.284 607 I C 0.887 177.034 176.117 0.050 0.000 1.146 607 I CA 0.798 62.121 61.300 0.038 0.000 1.425 607 I CB 0.400 38.429 38.000 0.048 0.000 1.383 607 I HN 0.220 nan 8.210 nan 0.000 0.562 608 E N 6.667 126.896 120.200 0.048 0.000 2.222 608 E HA 0.646 5.000 4.350 0.006 0.000 0.272 608 E C -0.596 176.030 176.600 0.044 0.000 0.982 608 E CA -0.891 55.539 56.400 0.049 0.000 0.842 608 E CB 1.795 31.516 29.700 0.036 0.000 1.144 608 E HN 0.458 nan 8.360 nan 0.000 0.397 609 R N 1.089 121.610 120.500 0.034 0.000 2.707 609 R HA 0.237 4.581 4.340 0.006 0.000 0.272 609 R C -1.072 175.221 176.300 -0.011 0.000 1.011 609 R CA -0.824 55.283 56.100 0.011 0.000 0.893 609 R CB 1.759 32.061 30.300 0.003 0.000 1.233 609 R HN 0.448 nan 8.270 nan 0.000 0.464 610 E N 2.132 122.322 120.200 -0.017 0.000 2.277 610 E HA 0.341 4.695 4.350 0.006 0.000 0.274 610 E C -0.757 175.821 176.600 -0.037 0.000 1.022 610 E CA -0.501 55.883 56.400 -0.026 0.000 0.853 610 E CB 1.756 31.445 29.700 -0.019 0.000 1.086 610 E HN 0.342 nan 8.360 nan 0.000 0.397 611 L N 2.283 123.479 121.223 -0.045 0.000 2.404 611 L HA 0.282 4.625 4.340 0.006 0.000 0.272 611 L C -0.288 176.559 176.870 -0.038 0.000 0.980 611 L CA -0.421 54.389 54.840 -0.049 0.000 0.836 611 L CB 1.455 43.473 42.059 -0.068 0.000 1.238 611 L HN 0.398 nan 8.230 nan 0.000 0.408 612 E N 2.971 123.154 120.200 -0.029 0.000 2.343 612 E HA 0.478 4.832 4.350 0.006 0.000 0.269 612 E C -0.799 175.789 176.600 -0.020 0.000 1.047 612 E CA -0.281 56.106 56.400 -0.022 0.000 0.874 612 E CB 1.529 31.219 29.700 -0.015 0.000 1.033 612 E HN 0.647 nan 8.360 nan 0.000 0.409 613 C N -0.203 119.087 119.300 -0.017 0.000 3.312 613 C HA 0.345 4.809 4.460 0.006 0.000 0.332 613 C C 0.016 175.002 174.990 -0.007 0.000 1.340 613 C CA -0.766 58.244 59.018 -0.012 0.000 1.265 613 C CB 1.071 28.797 27.740 -0.023 0.000 1.563 613 C HN 0.731 nan 8.230 nan 0.000 0.471 614 D N 0.818 121.219 120.400 0.002 0.000 2.366 614 D HA 0.428 5.072 4.640 0.006 0.000 0.205 614 D C 0.651 176.950 176.300 -0.003 0.000 1.022 614 D CA 1.345 55.350 54.000 0.008 0.000 0.868 614 D CB 1.213 42.032 40.800 0.031 0.000 0.953 614 D HN 1.131 nan 8.370 nan 0.000 0.514 615 A N 0.054 122.862 122.820 -0.019 0.000 2.599 615 A HA 0.535 4.858 4.320 0.006 0.000 0.294 615 A C -1.593 175.957 177.584 -0.058 0.000 1.055 615 A CA -0.540 51.472 52.037 -0.041 0.000 0.683 615 A CB 1.506 20.472 19.000 -0.056 0.000 1.278 615 A HN -0.109 nan 8.150 nan 0.000 0.412 616 V N 1.036 120.914 119.914 -0.060 0.000 2.588 616 V HA 0.585 4.709 4.120 0.006 0.000 0.304 616 V C -0.690 175.362 176.094 -0.070 0.000 1.042 616 V CA -0.561 61.706 62.300 -0.056 0.000 0.877 616 V CB 1.813 33.614 31.823 -0.037 0.000 0.996 616 V HN 0.806 nan 8.190 nan 0.000 0.425 617 V N 5.567 125.431 119.914 -0.083 0.000 2.384 617 V HA 0.475 4.598 4.120 0.006 0.000 0.287 617 V C -0.024 176.022 176.094 -0.080 0.000 1.020 617 V CA -0.578 61.653 62.300 -0.114 0.000 0.850 617 V CB 1.709 33.424 31.823 -0.180 0.000 0.987 617 V HN 0.723 nan 8.190 nan 0.000 0.436 618 M N 5.143 124.703 119.600 -0.067 0.000 2.108 618 M HA 0.428 4.912 4.480 0.006 0.000 0.354 618 M C -0.624 175.592 176.300 -0.140 0.000 1.229 618 M CA -0.235 55.053 55.300 -0.021 0.000 1.081 618 M CB 1.249 33.873 32.600 0.041 0.000 1.606 618 M HN 0.362 nan 8.290 nan 0.000 0.467 619 V N 4.171 123.961 119.914 -0.207 0.000 2.380 619 V HA 0.265 4.389 4.120 0.006 0.000 0.268 619 V C 0.708 176.660 176.094 -0.237 0.000 1.008 619 V CA -0.209 61.886 62.300 -0.342 0.000 0.823 619 V CB 0.868 32.410 31.823 -0.468 0.000 1.053 619 V HN 1.048 nan 8.190 nan 0.000 0.446 620 T N 1.103 115.665 114.554 0.012 0.000 3.447 620 T HA 0.785 5.138 4.350 0.006 0.000 0.218 620 T C 0.583 175.417 174.700 0.222 0.000 0.972 620 T CA 0.652 62.766 62.100 0.025 0.000 1.264 620 T CB 1.022 69.897 68.868 0.012 0.000 1.284 620 T HN 0.898 nan 8.240 nan 0.000 0.361 621 A N 0.263 123.224 122.820 0.236 0.000 2.583 621 A HA 0.868 5.191 4.320 0.006 0.000 0.299 621 A C -1.356 176.137 177.584 -0.152 0.000 1.258 621 A CA -1.147 50.907 52.037 0.029 0.000 0.682 621 A CB 0.962 19.951 19.000 -0.018 0.000 1.332 621 A HN 0.532 nan 8.150 nan 0.000 0.485 622 R N -1.038 119.271 120.500 -0.319 0.000 2.837 622 R HA 0.732 5.076 4.340 0.006 0.000 0.271 622 R C -1.713 174.457 176.300 -0.217 0.000 0.993 622 R CA -0.620 55.237 56.100 -0.404 0.000 0.931 622 R CB 1.978 31.836 30.300 -0.738 0.000 1.206 622 R HN 0.546 nan 8.270 nan 0.000 0.474 623 L N 2.618 123.744 121.223 -0.163 0.000 2.346 623 L HA 0.540 4.883 4.340 0.006 0.000 0.276 623 L C -2.216 174.595 176.870 -0.098 0.000 1.006 623 L CA -2.210 52.566 54.840 -0.106 0.000 0.817 623 L CB 2.197 44.222 42.059 -0.055 0.000 1.272 623 L HN 0.340 nan 8.230 nan 0.000 0.421 624 P HA 0.099 nan 4.420 nan 0.000 0.275 624 P C -0.968 176.323 177.300 -0.016 0.000 1.227 624 P CA -0.477 62.590 63.100 -0.056 0.000 0.781 624 P CB 0.618 32.280 31.700 -0.063 0.000 0.906 625 R N 2.801 123.304 120.500 0.006 0.000 2.893 625 R HA 0.041 4.384 4.340 0.006 0.000 0.243 625 R C 0.967 177.304 176.300 0.061 0.000 1.481 625 R CA 0.206 56.326 56.100 0.033 0.000 1.250 625 R CB -0.486 29.837 30.300 0.038 0.000 1.213 625 R HN 0.638 nan 8.270 nan 0.000 0.609 626 E N -0.442 119.804 120.200 0.076 0.000 2.603 626 E HA 0.048 4.402 4.350 0.006 0.000 0.211 626 E C 0.051 176.755 176.600 0.175 0.000 0.995 626 E CA -0.143 56.342 56.400 0.142 0.000 0.990 626 E CB 0.388 30.166 29.700 0.130 0.000 1.036 626 E HN 0.169 nan 8.360 nan 0.000 0.475 627 E N 0.918 121.185 120.200 0.112 0.000 2.058 627 E HA -0.192 4.162 4.350 0.006 0.000 0.194 627 E C 1.711 178.370 176.600 0.097 0.000 0.997 627 E CA 1.180 57.635 56.400 0.091 0.000 0.801 627 E CB -0.175 29.564 29.700 0.064 0.000 0.746 627 E HN 0.258 nan 8.360 nan 0.000 0.450 628 L N -0.042 121.243 121.223 0.104 0.000 1.989 628 L HA -0.204 4.140 4.340 0.006 0.000 0.211 628 L C 2.236 179.179 176.870 0.121 0.000 1.071 628 L CA 1.836 56.733 54.840 0.096 0.000 0.749 628 L CB -0.848 41.265 42.059 0.090 0.000 0.890 628 L HN 0.232 nan 8.230 nan 0.000 0.431 629 Y N -0.385 119.945 120.300 0.051 0.000 2.114 629 Y HA -0.288 4.265 4.550 0.006 0.000 0.282 629 Y C 2.204 178.143 175.900 0.065 0.000 1.165 629 Y CA 2.261 60.399 58.100 0.064 0.000 1.148 629 Y CB -0.327 38.196 38.460 0.106 0.000 0.972 629 Y HN 0.235 nan 8.280 nan 0.000 0.504 630 L N -0.376 120.889 121.223 0.070 0.000 2.109 630 L HA -0.146 4.197 4.340 0.006 0.000 0.207 630 L C 2.314 179.147 176.870 -0.061 0.000 1.086 630 L CA 1.403 56.233 54.840 -0.018 0.000 0.760 630 L CB -0.709 41.408 42.059 0.096 0.000 0.910 630 L HN 0.187 nan 8.230 nan 0.000 0.437 631 D N 0.718 121.109 120.400 -0.015 0.000 2.116 631 D HA -0.217 4.427 4.640 0.006 0.000 0.193 631 D C 2.170 178.439 176.300 -0.051 0.000 0.998 631 D CA 1.676 55.667 54.000 -0.016 0.000 0.836 631 D CB -0.025 40.783 40.800 0.014 0.000 0.951 631 D HN 0.233 nan 8.370 nan 0.000 0.449 632 L N -0.568 120.604 121.223 -0.086 0.000 2.179 632 L HA -0.059 4.285 4.340 0.006 0.000 0.208 632 L C 2.682 179.454 176.870 -0.164 0.000 1.096 632 L CA 0.201 54.978 54.840 -0.103 0.000 0.779 632 L CB -0.182 41.829 42.059 -0.080 0.000 0.922 632 L HN -0.036 nan 8.230 nan 0.000 0.443 633 V N 0.392 120.132 119.914 -0.290 0.000 2.332 633 V HA -0.324 3.800 4.120 0.006 0.000 0.248 633 V C 2.818 178.837 176.094 -0.124 0.000 1.055 633 V CA 1.885 64.033 62.300 -0.254 0.000 1.038 633 V CB -0.834 30.778 31.823 -0.352 0.000 0.651 633 V HN 0.487 nan 8.190 nan 0.000 0.450 634 A N 0.050 122.813 122.820 -0.095 0.000 1.892 634 A HA -0.280 4.043 4.320 0.006 0.000 0.218 634 A C 2.328 179.887 177.584 -0.042 0.000 1.188 634 A CA 2.176 54.182 52.037 -0.051 0.000 0.631 634 A CB -0.529 18.451 19.000 -0.033 0.000 0.822 634 A HN 0.548 nan 8.150 nan 0.000 0.447 635 R N -1.361 119.112 120.500 -0.045 0.000 2.189 635 R HA 0.011 4.355 4.340 0.006 0.000 0.218 635 R C 2.403 178.683 176.300 -0.033 0.000 1.074 635 R CA 1.012 57.094 56.100 -0.029 0.000 0.991 635 R CB -0.189 30.101 30.300 -0.017 0.000 0.883 635 R HN 0.559 nan 8.270 nan 0.000 0.457 636 R N 0.772 121.242 120.500 -0.050 0.000 2.075 636 R HA -0.094 4.250 4.340 0.006 0.000 0.226 636 R C 0.980 177.258 176.300 -0.036 0.000 1.114 636 R CA 1.502 57.574 56.100 -0.047 0.000 0.972 636 R CB 0.086 30.349 30.300 -0.061 0.000 0.869 636 R HN 0.079 nan 8.270 nan 0.000 0.437 637 D N 0.701 121.079 120.400 -0.036 0.000 2.084 637 D HA -0.127 4.516 4.640 0.006 0.000 0.194 637 D C 1.744 178.033 176.300 -0.019 0.000 0.990 637 D CA 1.647 55.632 54.000 -0.024 0.000 0.826 637 D CB -0.370 40.417 40.800 -0.021 0.000 0.971 637 D HN 0.332 nan 8.370 nan 0.000 0.453 638 A N -0.271 122.537 122.820 -0.019 0.000 1.986 638 A HA 0.071 4.394 4.320 0.006 0.000 0.220 638 A C 1.901 179.477 177.584 -0.014 0.000 1.171 638 A CA 2.394 54.423 52.037 -0.014 0.000 0.640 638 A CB -0.460 18.533 19.000 -0.013 0.000 0.811 638 A HN 0.420 nan 8.150 nan 0.000 0.451 639 G N -1.996 106.793 108.800 -0.018 0.000 2.159 639 G HA2 -0.146 3.817 3.960 0.006 0.000 0.170 639 G HA3 -0.146 3.817 3.960 0.006 0.000 0.170 639 G C 0.302 175.190 174.900 -0.019 0.000 1.007 639 G CA 0.491 45.580 45.100 -0.019 0.000 0.672 639 G HN 0.511 nan 8.290 nan 0.000 0.507 640 E N -0.276 119.914 120.200 -0.017 0.000 2.478 640 E HA 0.382 4.735 4.350 0.006 0.000 0.194 640 E C 1.205 177.798 176.600 -0.012 0.000 1.045 640 E CA 0.880 57.274 56.400 -0.011 0.000 0.868 640 E CB 0.351 30.050 29.700 -0.003 0.000 0.885 640 E HN 0.880 nan 8.360 nan 0.000 0.505 641 I N -5.920 114.634 120.570 -0.027 0.000 3.195 641 I HA 0.621 4.795 4.170 0.006 0.000 0.313 641 I C 0.051 176.123 176.117 -0.074 0.000 1.237 641 I CA -1.014 60.259 61.300 -0.045 0.000 0.963 641 I CB 1.758 39.745 38.000 -0.022 0.000 1.278 641 I HN -0.280 nan 8.210 nan 0.000 0.460 642 A N 1.490 124.229 122.820 -0.136 0.000 2.055 642 A HA 0.540 4.864 4.320 0.006 0.000 0.205 642 A C 0.777 178.324 177.584 -0.061 0.000 1.235 642 A CA 0.890 52.855 52.037 -0.119 0.000 0.822 642 A CB -0.245 18.649 19.000 -0.176 0.000 0.903 642 A HN 1.056 nan 8.150 nan 0.000 0.473 643 S N -0.837 114.842 115.700 -0.035 0.000 2.543 643 S HA 0.640 5.113 4.470 0.006 0.000 0.271 643 S C -1.108 173.519 174.600 0.046 0.000 1.148 643 S CA -0.417 57.800 58.200 0.028 0.000 0.914 643 S CB 1.504 64.746 63.200 0.070 0.000 1.096 643 S HN 0.679 nan 8.310 nan 0.000 0.471 644 V N 1.428 121.353 119.914 0.018 0.000 2.823 644 V HA 0.776 4.900 4.120 0.006 0.000 0.312 644 V C -0.196 175.947 176.094 0.082 0.000 1.072 644 V CA -0.897 61.431 62.300 0.046 0.000 0.937 644 V CB 1.863 33.673 31.823 -0.021 0.000 1.013 644 V HN 1.083 nan 8.190 nan 0.000 0.430 645 R N 0.963 121.518 120.500 0.092 0.000 2.564 645 R HA 0.630 4.974 4.340 0.006 0.000 0.284 645 R C -0.107 176.129 176.300 -0.106 0.000 1.031 645 R CA -0.338 55.742 56.100 -0.033 0.000 0.904 645 R CB 2.127 32.354 30.300 -0.122 0.000 1.199 645 R HN 1.093 nan 8.270 nan 0.000 0.443 646 G N 3.256 111.779 108.800 -0.462 0.000 2.444 646 G HA2 0.511 4.474 3.960 0.006 0.000 0.268 646 G HA3 0.511 4.474 3.960 0.006 0.000 0.268 646 G C -0.827 173.803 174.900 -0.450 0.000 1.203 646 G CA -0.267 44.528 45.100 -0.509 0.000 0.835 646 G HN 0.448 nan 8.290 nan 0.000 0.543 647 I N 0.066 120.552 120.570 -0.140 0.000 2.722 647 I HA 0.625 4.798 4.170 0.006 0.000 0.295 647 I C 0.674 176.828 176.117 0.062 0.000 1.161 647 I CA 0.897 62.157 61.300 -0.065 0.000 1.032 647 I CB 2.068 40.018 38.000 -0.083 0.000 1.244 647 I HN 1.201 nan 8.210 nan 0.000 0.421 648 G N 4.675 113.544 108.800 0.115 0.000 2.552 648 G HA2 -0.267 3.696 3.960 0.006 0.000 0.265 648 G HA3 -0.267 3.696 3.960 0.006 0.000 0.265 648 G C 0.439 175.412 174.900 0.122 0.000 1.234 648 G CA 0.400 45.572 45.100 0.120 0.000 0.944 648 G HN 0.588 nan 8.290 nan 0.000 0.568 649 D N 0.610 121.052 120.400 0.070 0.000 2.265 649 D HA 0.067 4.710 4.640 0.006 0.000 0.208 649 D C 2.649 178.958 176.300 0.016 0.000 0.977 649 D CA 1.911 55.925 54.000 0.023 0.000 0.871 649 D CB -0.591 40.205 40.800 -0.006 0.000 0.925 649 D HN 0.851 nan 8.370 nan 0.000 0.485 650 A N -0.177 122.672 122.820 0.049 0.000 2.066 650 A HA -0.119 4.204 4.320 0.006 0.000 0.218 650 A C 2.045 179.684 177.584 0.091 0.000 1.157 650 A CA 0.558 52.624 52.037 0.047 0.000 0.670 650 A CB -0.779 18.251 19.000 0.051 0.000 0.804 650 A HN 0.429 nan 8.150 nan 0.000 0.453 651 W N -0.461 120.766 121.300 -0.121 0.000 2.539 651 W HA 0.396 5.060 4.660 0.006 0.000 0.299 651 W C 0.057 176.515 176.519 -0.102 0.000 1.165 651 W CA 1.028 58.284 57.345 -0.149 0.000 1.400 651 W CB 0.266 29.657 29.460 -0.115 0.000 1.123 651 W HN 0.363 nan 8.180 nan 0.000 0.533 652 A N 1.296 124.111 122.820 -0.007 0.000 2.512 652 A HA 0.424 4.747 4.320 0.006 0.000 0.290 652 A C -2.863 174.689 177.584 -0.054 0.000 1.041 652 A CA -0.882 51.080 52.037 -0.125 0.000 0.911 652 A CB 0.432 19.318 19.000 -0.190 0.000 1.407 652 A HN -0.147 nan 8.150 nan 0.000 0.398 653 P HA 0.508 nan 4.420 nan 0.000 0.268 653 P C 0.669 177.916 177.300 -0.087 0.000 1.205 653 P CA 0.555 63.592 63.100 -0.106 0.000 0.771 653 P CB 1.411 32.989 31.700 -0.203 0.000 0.858 654 G N 0.577 109.351 108.800 -0.043 0.000 2.650 654 G HA2 0.523 4.487 3.960 0.006 0.000 0.310 654 G HA3 0.523 4.487 3.960 0.006 0.000 0.310 654 G C -0.723 174.209 174.900 0.053 0.000 1.270 654 G CA -0.435 44.653 45.100 -0.021 0.000 0.810 654 G HN 0.531 nan 8.290 nan 0.000 0.493 655 T N -0.981 113.618 114.554 0.076 0.000 2.766 655 T HA 0.337 4.690 4.350 0.006 0.000 0.295 655 T C 1.700 176.484 174.700 0.139 0.000 1.024 655 T CA -0.178 62.028 62.100 0.177 0.000 1.018 655 T CB 0.918 69.892 68.868 0.175 0.000 1.002 655 T HN 0.360 nan 8.240 nan 0.000 0.532 656 I N 0.934 121.594 120.570 0.151 0.000 2.194 656 I HA -0.225 3.949 4.170 0.006 0.000 0.246 656 I C 2.970 179.126 176.117 0.065 0.000 1.093 656 I CA 1.786 63.139 61.300 0.089 0.000 1.355 656 I CB -0.883 37.134 38.000 0.028 0.000 1.046 656 I HN 0.881 nan 8.210 nan 0.000 0.413 657 A N 0.794 123.642 122.820 0.047 0.000 1.858 657 A HA -0.204 4.120 4.320 0.006 0.000 0.216 657 A C 2.591 180.250 177.584 0.125 0.000 1.190 657 A CA 1.975 54.049 52.037 0.062 0.000 0.617 657 A CB -1.015 18.005 19.000 0.033 0.000 0.827 657 A HN 0.432 nan 8.150 nan 0.000 0.443 658 A N -0.239 122.631 122.820 0.084 0.000 1.948 658 A HA 0.040 4.364 4.320 0.006 0.000 0.220 658 A C 2.479 180.192 177.584 0.215 0.000 1.177 658 A CA 2.491 54.589 52.037 0.100 0.000 0.636 658 A CB -1.005 18.006 19.000 0.019 0.000 0.815 658 A HN 1.112 nan 8.150 nan 0.000 0.449 659 A N -0.648 122.267 122.820 0.160 0.000 1.855 659 A HA 0.044 4.367 4.320 0.006 0.000 0.215 659 A C 2.227 179.906 177.584 0.159 0.000 1.191 659 A CA 1.687 53.813 52.037 0.149 0.000 0.613 659 A CB -1.066 17.996 19.000 0.104 0.000 0.829 659 A HN 0.441 nan 8.150 nan 0.000 0.442 660 V N -1.869 118.134 119.914 0.148 0.000 2.252 660 V HA -0.322 3.802 4.120 0.006 0.000 0.249 660 V C 2.224 178.431 176.094 0.189 0.000 1.056 660 V CA 2.197 64.578 62.300 0.135 0.000 1.022 660 V CB -1.174 30.718 31.823 0.116 0.000 0.641 660 V HN 0.835 nan 8.190 nan 0.000 0.445 661 W N 0.692 122.038 121.300 0.076 0.000 2.321 661 W HA -0.275 4.388 4.660 0.005 0.000 0.306 661 W C 3.001 179.600 176.519 0.134 0.000 1.217 661 W CA 2.255 59.685 57.345 0.142 0.000 1.257 661 W CB -0.354 29.197 29.460 0.151 0.000 1.145 661 W HN 0.193 nan 8.180 nan 0.000 0.509 662 S N -0.290 115.685 115.700 0.459 0.000 2.383 662 S HA -0.147 4.327 4.470 0.006 0.000 0.229 662 S C 1.966 176.581 174.600 0.024 0.000 1.030 662 S CA 1.843 60.225 58.200 0.303 0.000 1.002 662 S CB -1.019 62.346 63.200 0.276 0.000 0.829 662 S HN 0.407 nan 8.310 nan 0.000 0.467 663 G N 0.875 109.673 108.800 -0.003 0.000 2.408 663 G HA2 -0.134 3.830 3.960 0.006 0.000 0.215 663 G HA3 -0.134 3.830 3.960 0.006 0.000 0.215 663 G C 1.472 176.260 174.900 -0.187 0.000 1.156 663 G CA 0.792 45.843 45.100 -0.081 0.000 0.793 663 G HN 0.545 nan 8.290 nan 0.000 0.535 664 R N 0.497 120.841 120.500 -0.260 0.000 2.092 664 R HA 0.116 4.460 4.340 0.006 0.000 0.231 664 R C 2.394 178.315 176.300 -0.632 0.000 1.119 664 R CA 1.086 56.903 56.100 -0.471 0.000 0.970 664 R CB -0.540 29.415 30.300 -0.575 0.000 0.864 664 R HN 0.195 nan 8.270 nan 0.000 0.440 665 R N 0.244 120.410 120.500 -0.556 0.000 2.083 665 R HA -0.093 4.251 4.340 0.006 0.000 0.237 665 R C 1.980 178.153 176.300 -0.211 0.000 1.137 665 R CA 1.751 57.635 56.100 -0.360 0.000 0.951 665 R CB -0.641 29.417 30.300 -0.403 0.000 0.851 665 R HN 0.374 nan 8.270 nan 0.000 0.434 666 A N 0.711 123.423 122.820 -0.180 0.000 1.917 666 A HA -0.183 4.140 4.320 0.006 0.000 0.219 666 A C 2.378 179.901 177.584 -0.101 0.000 1.182 666 A CA 2.120 54.086 52.037 -0.117 0.000 0.633 666 A CB -0.748 18.187 19.000 -0.108 0.000 0.819 666 A HN 0.517 nan 8.150 nan 0.000 0.448 667 A N -0.467 122.243 122.820 -0.183 0.000 1.902 667 A HA -0.160 4.164 4.320 0.006 0.000 0.217 667 A C 1.900 179.388 177.584 -0.159 0.000 1.181 667 A CA 1.625 53.547 52.037 -0.192 0.000 0.623 667 A CB -0.429 18.426 19.000 -0.242 0.000 0.818 667 A HN 0.533 nan 8.150 nan 0.000 0.443 668 E N -0.299 119.748 120.200 -0.255 0.000 2.347 668 E HA -0.105 4.249 4.350 0.006 0.000 0.196 668 E C 1.339 177.923 176.600 -0.028 0.000 1.008 668 E CA 0.861 57.143 56.400 -0.197 0.000 0.852 668 E CB -0.072 29.396 29.700 -0.386 0.000 0.783 668 E HN 0.770 nan 8.360 nan 0.000 0.505 669 E N -0.333 119.855 120.200 -0.020 0.000 2.460 669 E HA 0.046 4.400 4.350 0.006 0.000 0.200 669 E C -0.092 176.498 176.600 -0.016 0.000 1.011 669 E CA -0.451 55.950 56.400 0.003 0.000 0.912 669 E CB 0.229 29.925 29.700 -0.007 0.000 0.953 669 E HN 0.007 nan 8.360 nan 0.000 0.494 670 F N 2.650 122.513 119.950 -0.146 0.000 2.590 670 F HA -0.100 4.430 4.527 0.006 0.000 0.389 670 F C 0.665 176.391 175.800 -0.123 0.000 1.049 670 F CA 0.505 58.385 58.000 -0.201 0.000 1.199 670 F CB 0.286 39.059 39.000 -0.379 0.000 1.058 670 F HN 0.009 nan 8.300 nan 0.000 0.556 671 D N 2.284 122.450 120.400 -0.390 0.000 3.077 671 D HA -0.227 4.416 4.640 0.006 0.000 0.217 671 D C -0.026 176.250 176.300 -0.039 0.000 1.162 671 D CA 1.011 54.923 54.000 -0.146 0.000 0.943 671 D CB -1.247 39.635 40.800 0.137 0.000 1.122 671 D HN 0.586 nan 8.370 nan 0.000 0.413 672 A N 0.126 122.919 122.820 -0.046 0.000 2.354 672 A HA 0.510 4.833 4.320 0.006 0.000 0.269 672 A C 0.492 178.059 177.584 -0.029 0.000 1.109 672 A CA -0.281 51.750 52.037 -0.009 0.000 0.800 672 A CB 1.220 20.225 19.000 0.009 0.000 1.045 672 A HN 0.046 nan 8.150 nan 0.000 0.489 673 V N 4.009 123.915 119.914 -0.013 0.000 2.408 673 V HA 0.240 4.364 4.120 0.006 0.000 0.267 673 V C 0.080 176.167 176.094 -0.012 0.000 1.047 673 V CA 0.167 62.457 62.300 -0.018 0.000 0.937 673 V CB 0.451 32.267 31.823 -0.012 0.000 0.999 673 V HN 0.704 nan 8.190 nan 0.000 0.472 674 L N 6.778 127.991 121.223 -0.016 0.000 2.334 674 L HA 0.566 4.910 4.340 0.006 0.000 0.272 674 L C -1.864 174.999 176.870 -0.011 0.000 1.020 674 L CA -1.739 53.095 54.840 -0.010 0.000 0.812 674 L CB 1.723 43.776 42.059 -0.010 0.000 1.264 674 L HN 0.480 nan 8.230 nan 0.000 0.439 675 P HA 0.101 nan 4.420 nan 0.000 0.272 675 P C -0.605 176.690 177.300 -0.009 0.000 1.230 675 P CA -0.438 62.653 63.100 -0.014 0.000 0.788 675 P CB 0.588 32.275 31.700 -0.023 0.000 0.949 676 S N 1.129 116.824 115.700 -0.009 0.000 2.580 676 S HA -0.013 4.461 4.470 0.006 0.000 0.266 676 S C 1.042 175.642 174.600 -0.001 0.000 1.354 676 S CA -0.127 58.071 58.200 -0.002 0.000 1.008 676 S CB 0.102 63.301 63.200 -0.002 0.000 0.898 676 S HN 0.523 nan 8.310 nan 0.000 0.555 677 N N 0.463 119.169 118.700 0.011 0.000 2.571 677 N HA -0.036 4.707 4.740 0.006 0.000 0.189 677 N C 0.321 175.832 175.510 0.002 0.000 1.154 677 N CA 0.639 53.698 53.050 0.016 0.000 0.907 677 N CB -0.547 37.964 38.487 0.041 0.000 0.977 677 N HN 0.610 nan 8.380 nan 0.000 0.449 678 D N 0.321 120.718 120.400 -0.006 0.000 2.218 678 D HA -0.072 4.571 4.640 0.006 0.000 0.204 678 D C -0.046 176.234 176.300 -0.033 0.000 0.976 678 D CA 1.021 55.013 54.000 -0.015 0.000 0.853 678 D CB 0.029 40.820 40.800 -0.014 0.000 0.939 678 D HN 0.527 nan 8.370 nan 0.000 0.481 679 E N -0.612 119.562 120.200 -0.043 0.000 2.248 679 E HA 0.316 4.669 4.350 0.006 0.000 0.272 679 E C -0.523 176.008 176.600 -0.115 0.000 1.008 679 E CA -0.691 55.665 56.400 -0.073 0.000 0.856 679 E CB 2.146 31.806 29.700 -0.066 0.000 1.120 679 E HN -0.253 nan 8.360 nan 0.000 0.397 680 V N 4.434 124.236 119.914 -0.187 0.000 2.493 680 V HA 0.018 4.142 4.120 0.006 0.000 0.292 680 V C -1.447 174.433 176.094 -0.357 0.000 1.016 680 V CA -0.645 61.442 62.300 -0.355 0.000 1.097 680 V CB 0.241 31.782 31.823 -0.470 0.000 0.947 680 V HN 0.720 nan 8.190 nan 0.000 0.479 681 P HA 0.171 nan 4.420 nan 0.000 0.255 681 P C -0.524 176.784 177.300 0.014 0.000 1.427 681 P CA 0.272 63.327 63.100 -0.074 0.000 0.863 681 P CB -0.292 31.462 31.700 0.089 0.000 1.444 682 F N -2.443 117.472 119.950 -0.059 0.000 2.779 682 F HA 0.612 5.142 4.527 0.005 0.000 0.316 682 F C -0.400 175.327 175.800 -0.121 0.000 1.164 682 F CA -1.828 56.105 58.000 -0.111 0.000 0.924 682 F CB 0.747 39.689 39.000 -0.097 0.000 1.348 682 F HN -0.427 nan 8.300 nan 0.000 0.467 683 R N 0.604 121.132 120.500 0.047 0.000 2.500 683 R HA 0.848 5.192 4.340 0.006 0.000 0.277 683 R C -1.108 175.346 176.300 0.257 0.000 1.026 683 R CA -1.049 54.989 56.100 -0.104 0.000 1.058 683 R CB 1.558 31.479 30.300 -0.631 0.000 1.078 683 R HN 0.875 nan 8.270 nan 0.000 0.509 684 R N -0.037 120.645 120.500 0.303 0.000 2.643 684 R HA 0.325 4.669 4.340 0.006 0.000 0.269 684 R C -1.268 175.247 176.300 0.358 0.000 1.037 684 R CA -1.009 55.356 56.100 0.440 0.000 0.894 684 R CB 1.391 31.879 30.300 0.313 0.000 1.238 684 R HN 0.470 nan 8.270 nan 0.000 0.459 685 E N 0.876 121.241 120.200 0.274 0.000 2.319 685 E HA 0.478 4.831 4.350 0.006 0.000 0.268 685 E C -0.881 175.772 176.600 0.088 0.000 1.050 685 E CA -0.905 55.574 56.400 0.133 0.000 0.878 685 E CB 2.136 31.838 29.700 0.002 0.000 1.066 685 E HN 0.236 nan 8.360 nan 0.000 0.406 686 V N 1.148 121.098 119.914 0.059 0.000 3.141 686 V HA 0.268 4.392 4.120 0.006 0.000 0.312 686 V C -0.552 175.556 176.094 0.023 0.000 1.157 686 V CA -0.593 61.733 62.300 0.042 0.000 1.041 686 V CB 2.644 34.491 31.823 0.040 0.000 1.071 686 V HN 0.730 nan 8.190 nan 0.000 0.441 687 T N 2.771 117.335 114.554 0.017 0.000 2.901 687 T HA 0.132 4.485 4.350 0.006 0.000 0.301 687 T C -0.103 174.596 174.700 -0.001 0.000 1.012 687 T CA 0.313 62.417 62.100 0.006 0.000 1.135 687 T CB 0.417 69.287 68.868 0.004 0.000 0.936 687 T HN 0.676 nan 8.240 nan 0.000 0.539 688 Q N 3.785 123.578 119.800 -0.011 0.000 2.307 688 Q HA 0.224 4.567 4.340 0.006 0.000 0.261 688 Q C -0.465 175.527 176.000 -0.014 0.000 1.051 688 Q CA -0.424 55.372 55.803 -0.012 0.000 0.911 688 Q CB 0.210 28.937 28.738 -0.019 0.000 1.227 688 Q HN 0.591 nan 8.270 nan 0.000 0.418 689 L N 3.128 124.346 121.223 -0.009 0.000 2.485 689 L HA 0.123 4.467 4.340 0.006 0.000 0.275 689 L C 0.699 177.562 176.870 -0.012 0.000 1.207 689 L CA -0.252 54.583 54.840 -0.009 0.000 0.855 689 L CB 0.400 42.456 42.059 -0.006 0.000 1.114 689 L HN 0.757 nan 8.230 nan 0.000 0.485 690 A N 0.000 122.812 122.820 -0.013 0.000 2.254 690 A HA 0.000 4.324 4.320 0.006 0.000 0.244 690 A CA 0.000 52.029 52.037 -0.013 0.000 0.836 690 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 690 A HN 0.000 nan 8.150 nan 0.000 0.486