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 2df7_1_O DATA FIRST_RESID 12 DATA SEQUENCE VPFIRSLLMP TTGPASIPDD TLEKHTLRSE TSTYNLTVGD TGSGLIVFFP DATA SEQUENCE GFPGSIVGAH YTLQSNGNYK FDQMLLTAQN LPASYNYCRL VSRSLTVRSS DATA SEQUENCE TLPXXXXXXN GTINAVTFQG SLSELTDVSY NGLMSATANI NDKIGNVLVG DATA SEQUENCE EGVTVLSLPT SYDLGYVRLG DPIPAIGLDP KMVATCDSSD RPRVYTITAA DATA SEQUENCE DDYQFSSQYQ SGGVTITLFS ANIDAITSLS IGGELVFHTS VHGLALDATI DATA SEQUENCE YLIGFDGTTV ITRAVASDNG LTTGIDNLMP FNLVIPTNEI TQPITSIKLE DATA SEQUENCE IVTSKSGGQA GDQMSWSASG SLAVTIHGGN YPGALRPVTL VAYERVATGS DATA SEQUENCE VVTVAGVSNF ELIPNPELAK NLVTEYGRFD PGAMNYTKLI LSERERLGIK DATA SEQUENCE TVWPTREYTD FREYFMEV 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 12 V HA 0.000 nan 4.120 nan 0.000 0.244 12 V C 0.000 176.128 176.094 0.057 0.000 1.182 12 V CA 0.000 62.284 62.300 -0.026 0.000 1.235 12 V CB 0.000 31.776 31.823 -0.079 0.000 1.184 13 P HA -0.164 nan 4.420 nan 0.000 0.216 13 P C 1.609 178.950 177.300 0.068 0.000 1.153 13 P CA 1.392 64.532 63.100 0.068 0.000 0.858 13 P CB 0.173 31.917 31.700 0.074 0.000 0.789 14 F N 0.377 120.344 119.950 0.029 0.000 2.069 14 F HA -0.208 4.319 4.527 -0.000 0.000 0.298 14 F C 1.980 177.816 175.800 0.060 0.000 1.113 14 F CA 1.417 59.432 58.000 0.025 0.000 1.214 14 F CB -0.793 38.203 39.000 -0.007 0.000 0.978 14 F HN -0.244 nan 8.300 nan 0.000 0.474 15 I N 0.547 121.091 120.570 -0.044 0.000 2.194 15 I HA -0.309 3.861 4.170 -0.000 0.000 0.246 15 I C 2.549 178.606 176.117 -0.099 0.000 1.093 15 I CA 1.623 62.928 61.300 0.007 0.000 1.355 15 I CB -1.628 36.565 38.000 0.321 0.000 1.046 15 I HN 0.232 nan 8.210 nan 0.000 0.413 16 R N 0.490 120.967 120.500 -0.038 0.000 2.073 16 R HA -0.160 4.180 4.340 -0.000 0.000 0.234 16 R C 2.626 178.804 176.300 -0.203 0.000 1.134 16 R CA 1.916 57.953 56.100 -0.104 0.000 0.952 16 R CB -0.186 30.137 30.300 0.038 0.000 0.850 16 R HN 0.246 nan 8.270 nan 0.000 0.433 17 S N 0.207 115.771 115.700 -0.226 0.000 2.368 17 S HA -0.116 4.354 4.470 -0.000 0.000 0.224 17 S C 1.861 176.282 174.600 -0.298 0.000 1.029 17 S CA 1.118 59.177 58.200 -0.235 0.000 0.988 17 S CB -0.306 62.762 63.200 -0.219 0.000 0.838 17 S HN 0.351 nan 8.310 nan 0.000 0.462 18 L N 1.590 122.517 121.223 -0.494 0.000 1.989 18 L HA 0.039 4.378 4.340 -0.000 0.000 0.211 18 L C 1.980 178.754 176.870 -0.160 0.000 1.071 18 L CA 1.922 56.537 54.840 -0.375 0.000 0.749 18 L CB -0.633 41.137 42.059 -0.481 0.000 0.890 18 L HN 0.404 nan 8.230 nan 0.000 0.431 19 L N -1.587 119.547 121.223 -0.148 0.000 2.375 19 L HA 0.061 4.401 4.340 -0.000 0.000 0.215 19 L C 0.782 177.643 176.870 -0.015 0.000 1.108 19 L CA 0.322 55.142 54.840 -0.034 0.000 0.830 19 L CB -0.075 41.969 42.059 -0.026 0.000 0.959 19 L HN 0.242 nan 8.230 nan 0.000 0.457 20 M N -0.647 118.879 119.600 -0.125 0.000 2.693 20 M HA 0.237 4.717 4.480 -0.000 0.000 0.224 20 M C -1.984 174.271 176.300 -0.074 0.000 1.149 20 M CA -1.292 53.964 55.300 -0.074 0.000 0.622 20 M CB 1.424 33.914 32.600 -0.183 0.000 1.443 20 M HN -0.254 nan 8.290 nan 0.000 0.431 21 P HA -0.186 nan 4.420 nan 0.000 0.217 21 P C 1.385 178.651 177.300 -0.055 0.000 1.148 21 P CA 1.655 64.707 63.100 -0.079 0.000 0.834 21 P CB -0.168 31.477 31.700 -0.091 0.000 0.783 22 T N -4.561 109.974 114.554 -0.033 0.000 3.098 22 T HA -0.103 4.247 4.350 -0.000 0.000 0.266 22 T C 1.494 176.182 174.700 -0.020 0.000 1.145 22 T CA 1.541 63.629 62.100 -0.021 0.000 1.092 22 T CB -1.518 67.346 68.868 -0.006 0.000 0.908 22 T HN 0.231 nan 8.240 nan 0.000 0.526 23 T N -1.809 112.726 114.554 -0.032 0.000 3.113 23 T HA 0.502 4.851 4.350 -0.000 0.000 0.256 23 T C 1.127 175.818 174.700 -0.015 0.000 1.131 23 T CA 0.175 62.261 62.100 -0.024 0.000 1.074 23 T CB -0.454 68.394 68.868 -0.033 0.000 0.944 23 T HN 1.095 nan 8.240 nan 0.000 0.516 24 G N 1.582 110.371 108.800 -0.019 0.000 2.423 24 G HA2 0.236 4.196 3.960 -0.000 0.000 0.684 24 G HA3 0.236 4.196 3.960 -0.000 0.000 0.684 24 G C -3.386 171.508 174.900 -0.009 0.000 1.309 24 G CA -0.639 44.459 45.100 -0.003 0.000 0.950 24 G HN 0.288 nan 8.290 nan 0.000 0.587 25 P HA 0.720 nan 4.420 nan 0.000 0.281 25 P C -0.317 177.025 177.300 0.071 0.000 1.281 25 P CA 0.351 63.472 63.100 0.034 0.000 0.811 25 P CB 1.981 33.717 31.700 0.061 0.000 1.154 26 A N 0.005 122.900 122.820 0.125 0.000 2.612 26 A HA 0.555 4.875 4.320 -0.000 0.000 0.293 26 A C -0.611 177.131 177.584 0.263 0.000 1.075 26 A CA -0.514 51.637 52.037 0.191 0.000 0.680 26 A CB 0.566 19.690 19.000 0.206 0.000 1.279 26 A HN 0.372 nan 8.150 nan 0.000 0.411 27 S N 0.539 116.384 115.700 0.242 0.000 2.565 27 S HA 0.446 4.916 4.470 -0.000 0.000 0.276 27 S C 0.241 174.833 174.600 -0.013 0.000 1.326 27 S CA -0.225 58.078 58.200 0.171 0.000 1.045 27 S CB 0.220 63.570 63.200 0.250 0.000 0.918 27 S HN 0.460 nan 8.310 nan 0.000 0.505 28 I N 4.865 125.292 120.570 -0.239 0.000 2.533 28 I HA 0.136 4.306 4.170 -0.000 0.000 0.284 28 I C -1.423 174.346 176.117 -0.581 0.000 1.109 28 I CA -1.565 59.276 61.300 -0.765 0.000 1.412 28 I CB 0.493 38.114 38.000 -0.633 0.000 1.396 28 I HN 0.437 nan 8.210 nan 0.000 0.543 29 P HA 0.028 nan 4.420 nan 0.000 0.237 29 P C -0.925 176.208 177.300 -0.278 0.000 1.723 29 P CA -0.110 62.778 63.100 -0.355 0.000 0.882 29 P CB -0.433 31.087 31.700 -0.300 0.000 1.810 30 D N -0.779 119.466 120.400 -0.258 0.000 2.509 30 D HA 0.129 4.769 4.640 -0.000 0.000 0.275 30 D C 0.464 176.743 176.300 -0.035 0.000 1.189 30 D CA -0.294 53.624 54.000 -0.136 0.000 1.098 30 D CB -0.196 40.530 40.800 -0.123 0.000 1.177 30 D HN -0.215 nan 8.370 nan 0.000 0.599 31 D N -1.433 118.967 120.400 0.001 0.000 2.402 31 D HA 0.086 4.726 4.640 -0.000 0.000 0.216 31 D C -0.102 176.229 176.300 0.052 0.000 1.128 31 D CA 0.205 54.221 54.000 0.027 0.000 0.833 31 D CB 0.215 41.030 40.800 0.026 0.000 0.971 31 D HN 0.252 nan 8.370 nan 0.000 0.503 32 T N 1.831 116.423 114.554 0.063 0.000 4.098 32 T HA 0.196 4.546 4.350 -0.000 0.000 0.291 32 T C 1.028 175.828 174.700 0.168 0.000 1.440 32 T CA -0.198 61.972 62.100 0.116 0.000 1.164 32 T CB -0.298 68.649 68.868 0.131 0.000 1.313 32 T HN 0.042 nan 8.240 nan 0.000 0.951 33 L N 3.262 124.579 121.223 0.158 0.000 2.505 33 L HA 0.145 4.484 4.340 -0.000 0.000 0.275 33 L C 0.791 177.859 176.870 0.330 0.000 1.264 33 L CA 0.409 55.400 54.840 0.253 0.000 1.148 33 L CB -0.320 41.839 42.059 0.167 0.000 1.377 33 L HN 0.405 nan 8.230 nan 0.000 0.442 34 E N 2.827 123.181 120.200 0.257 0.000 2.227 34 E HA 0.327 4.676 4.350 -0.000 0.000 0.268 34 E C -0.599 175.963 176.600 -0.062 0.000 0.907 34 E CA -1.000 55.401 56.400 0.002 0.000 0.786 34 E CB 2.394 31.878 29.700 -0.358 0.000 1.191 34 E HN 0.282 nan 8.360 nan 0.000 0.411 35 K N 3.343 123.474 120.400 -0.448 0.000 2.378 35 K HA 0.078 4.398 4.320 -0.000 0.000 0.288 35 K C 0.082 176.565 176.600 -0.194 0.000 1.057 35 K CA 0.191 56.154 56.287 -0.539 0.000 0.971 35 K CB 0.181 32.334 32.500 -0.579 0.000 0.975 35 K HN 0.533 nan 8.250 nan 0.000 0.475 36 H N -0.188 118.811 119.070 -0.118 0.000 2.959 36 H HA 0.475 5.031 4.556 -0.000 0.000 0.296 36 H C -1.021 174.341 175.328 0.056 0.000 1.421 36 H CA -0.749 55.303 56.048 0.006 0.000 1.206 36 H CB 1.842 31.695 29.762 0.151 0.000 1.891 36 H HN 0.434 nan 8.280 nan 0.000 0.573 37 T N 0.186 114.843 114.554 0.171 0.000 2.901 37 T HA 0.579 4.929 4.350 -0.000 0.000 0.293 37 T C -1.055 173.800 174.700 0.258 0.000 1.084 37 T CA -0.773 61.397 62.100 0.116 0.000 1.008 37 T CB 1.183 70.132 68.868 0.136 0.000 1.170 37 T HN 0.431 nan 8.240 nan 0.000 0.509 38 L N 3.507 124.844 121.223 0.190 0.000 2.329 38 L HA 0.758 5.098 4.340 -0.000 0.000 0.279 38 L C 0.040 176.990 176.870 0.134 0.000 1.014 38 L CA -1.053 53.904 54.840 0.194 0.000 0.814 38 L CB 1.508 43.675 42.059 0.182 0.000 1.257 38 L HN 0.479 nan 8.230 nan 0.000 0.424 39 R N 1.288 121.870 120.500 0.137 0.000 2.740 39 R HA 0.574 4.914 4.340 -0.000 0.000 0.273 39 R C -1.438 174.961 176.300 0.164 0.000 0.998 39 R CA -0.894 55.282 56.100 0.128 0.000 0.900 39 R CB 2.371 32.710 30.300 0.066 0.000 1.223 39 R HN 0.473 nan 8.270 nan 0.000 0.466 40 S N 1.413 117.194 115.700 0.136 0.000 2.519 40 S HA 0.425 4.894 4.470 -0.000 0.000 0.309 40 S C -0.816 173.874 174.600 0.150 0.000 1.100 40 S CA -0.762 57.507 58.200 0.114 0.000 1.059 40 S CB 1.809 65.046 63.200 0.063 0.000 1.008 40 S HN 0.226 nan 8.310 nan 0.000 0.478 41 E N 2.642 122.963 120.200 0.201 0.000 2.176 41 E HA 0.364 4.713 4.350 -0.000 0.000 0.267 41 E C -0.060 176.625 176.600 0.142 0.000 0.893 41 E CA -0.438 56.081 56.400 0.200 0.000 0.761 41 E CB 1.927 31.813 29.700 0.311 0.000 1.133 41 E HN 0.702 nan 8.360 nan 0.000 0.409 42 T N -0.609 114.004 114.554 0.098 0.000 2.874 42 T HA 0.561 4.911 4.350 -0.000 0.000 0.281 42 T C 0.265 175.016 174.700 0.085 0.000 0.994 42 T CA -0.652 61.490 62.100 0.070 0.000 1.015 42 T CB 1.057 69.947 68.868 0.037 0.000 1.028 42 T HN 0.118 nan 8.240 nan 0.000 0.523 43 S N 1.015 116.764 115.700 0.082 0.000 2.594 43 S HA 0.680 5.150 4.470 -0.000 0.000 0.296 43 S C -0.637 173.997 174.600 0.056 0.000 1.124 43 S CA -0.907 57.370 58.200 0.129 0.000 1.011 43 S CB 1.514 64.861 63.200 0.244 0.000 1.016 43 S HN 1.093 nan 8.310 nan 0.000 0.485 44 T N 1.117 115.583 114.554 -0.146 0.000 2.937 44 T HA 0.729 5.078 4.350 -0.000 0.000 0.297 44 T C -1.407 173.000 174.700 -0.489 0.000 0.991 44 T CA -0.542 61.453 62.100 -0.176 0.000 0.990 44 T CB 0.556 69.336 68.868 -0.146 0.000 0.991 44 T HN 0.412 nan 8.240 nan 0.000 0.440 45 Y N 1.190 121.493 120.300 0.005 0.000 2.504 45 Y HA 0.572 5.122 4.550 -0.000 0.000 0.344 45 Y C -0.272 175.603 175.900 -0.042 0.000 1.023 45 Y CA -1.228 56.862 58.100 -0.018 0.000 1.020 45 Y CB 2.388 40.831 38.460 -0.027 0.000 1.282 45 Y HN 0.577 nan 8.280 nan 0.000 0.454 46 N N 3.636 122.389 118.700 0.087 0.000 2.626 46 N HA 0.398 5.138 4.740 -0.000 0.000 0.242 46 N C -1.367 174.148 175.510 0.010 0.000 1.005 46 N CA -0.300 52.763 53.050 0.022 0.000 0.905 46 N CB 1.085 39.571 38.487 -0.003 0.000 1.128 46 N HN 0.555 nan 8.380 nan 0.000 0.512 47 L N 0.931 122.120 121.223 -0.057 0.000 2.350 47 L HA 0.422 4.762 4.340 -0.000 0.000 0.275 47 L C 0.774 177.602 176.870 -0.071 0.000 1.099 47 L CA -0.299 54.470 54.840 -0.119 0.000 0.808 47 L CB 0.924 42.721 42.059 -0.435 0.000 1.149 47 L HN 0.169 nan 8.230 nan 0.000 0.442 48 T N 1.850 116.418 114.554 0.023 0.000 2.799 48 T HA 0.308 4.658 4.350 -0.000 0.000 0.286 48 T C 0.008 174.771 174.700 0.105 0.000 0.973 48 T CA -0.450 61.674 62.100 0.040 0.000 1.035 48 T CB 1.564 70.458 68.868 0.043 0.000 0.932 48 T HN 0.191 nan 8.240 nan 0.000 0.469 49 V N 3.975 123.923 119.914 0.057 0.000 2.521 49 V HA 0.369 4.489 4.120 -0.000 0.000 0.286 49 V C 1.318 177.486 176.094 0.122 0.000 1.034 49 V CA -0.166 62.206 62.300 0.120 0.000 1.045 49 V CB 0.746 32.594 31.823 0.041 0.000 0.974 49 V HN 1.041 nan 8.190 nan 0.000 0.480 50 G N 3.266 112.160 108.800 0.158 0.000 2.611 50 G HA2 0.096 4.056 3.960 -0.000 0.000 0.273 50 G HA3 0.096 4.056 3.960 -0.000 0.000 0.273 50 G C 0.844 175.784 174.900 0.068 0.000 1.305 50 G CA 0.306 45.462 45.100 0.093 0.000 1.010 50 G HN 0.840 nan 8.290 nan 0.000 0.509 51 D N -1.855 118.568 120.400 0.038 0.000 2.348 51 D HA -0.153 4.487 4.640 -0.000 0.000 0.216 51 D C 2.008 178.318 176.300 0.017 0.000 0.970 51 D CA 1.497 55.511 54.000 0.024 0.000 0.889 51 D CB -0.606 40.201 40.800 0.011 0.000 0.912 51 D HN 0.416 nan 8.370 nan 0.000 0.524 52 T N -4.054 110.509 114.554 0.014 0.000 3.081 52 T HA 0.301 4.650 4.350 -0.000 0.000 0.255 52 T C 1.816 176.525 174.700 0.016 0.000 1.113 52 T CA 0.714 62.811 62.100 -0.005 0.000 1.082 52 T CB -0.273 68.572 68.868 -0.038 0.000 0.939 52 T HN 0.333 nan 8.240 nan 0.000 0.506 53 G N 0.445 109.286 108.800 0.068 0.000 2.168 53 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.263 53 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.263 53 G C 0.135 175.147 174.900 0.186 0.000 0.977 53 G CA 0.249 45.420 45.100 0.118 0.000 0.659 53 G HN 0.785 nan 8.290 nan 0.000 0.533 54 S N -0.764 114.991 115.700 0.090 0.000 2.536 54 S HA 0.905 5.375 4.470 -0.000 0.000 0.298 54 S C 0.394 174.798 174.600 -0.327 0.000 1.083 54 S CA 0.134 58.268 58.200 -0.110 0.000 0.995 54 S CB 2.258 65.373 63.200 -0.142 0.000 1.058 54 S HN 1.627 nan 8.310 nan 0.000 0.488 55 G N 0.371 108.561 108.800 -1.018 0.000 2.550 55 G HA2 0.619 4.579 3.960 -0.000 0.000 0.293 55 G HA3 0.619 4.579 3.960 -0.000 0.000 0.293 55 G C -2.469 172.117 174.900 -0.524 0.000 1.402 55 G CA -0.537 44.126 45.100 -0.728 0.000 0.784 55 G HN 0.632 nan 8.290 nan 0.000 0.482 56 L N -0.067 121.140 121.223 -0.026 0.000 2.464 56 L HA 0.766 5.106 4.340 -0.000 0.000 0.266 56 L C -1.154 175.786 176.870 0.116 0.000 0.965 56 L CA -0.645 54.211 54.840 0.027 0.000 0.833 56 L CB 1.797 43.793 42.059 -0.104 0.000 1.296 56 L HN 0.508 nan 8.230 nan 0.000 0.405 57 I N 5.297 125.879 120.570 0.020 0.000 2.378 57 I HA 0.471 4.640 4.170 -0.000 0.000 0.291 57 I C -0.747 175.128 176.117 -0.403 0.000 0.992 57 I CA -0.999 60.183 61.300 -0.197 0.000 1.154 57 I CB 1.925 39.708 38.000 -0.362 0.000 1.315 57 I HN 0.234 nan 8.210 nan 0.000 0.448 58 V N 7.032 126.659 119.914 -0.479 0.000 2.347 58 V HA 0.381 4.500 4.120 -0.000 0.000 0.280 58 V C -0.341 175.276 176.094 -0.795 0.000 1.021 58 V CA -0.376 61.596 62.300 -0.547 0.000 0.847 58 V CB 0.894 32.425 31.823 -0.486 0.000 0.990 58 V HN 0.409 nan 8.190 nan 0.000 0.444 59 F N 3.991 123.666 119.950 -0.460 0.000 2.425 59 F HA 0.575 5.102 4.527 -0.000 0.000 0.331 59 F C 0.071 175.545 175.800 -0.542 0.000 1.085 59 F CA -0.587 57.161 58.000 -0.420 0.000 1.028 59 F CB 1.719 40.627 39.000 -0.154 0.000 1.177 59 F HN 0.368 nan 8.300 nan 0.000 0.487 60 F N 3.770 123.895 119.950 0.292 0.000 2.366 60 F HA 0.253 4.779 4.527 -0.000 0.000 0.328 60 F C -1.485 174.463 175.800 0.247 0.000 1.180 60 F CA -1.785 56.363 58.000 0.247 0.000 1.232 60 F CB 0.105 39.265 39.000 0.266 0.000 1.513 60 F HN 0.293 nan 8.300 nan 0.000 0.540 61 P HA -0.216 nan 4.420 nan 0.000 0.218 61 P C 1.376 178.779 177.300 0.172 0.000 1.152 61 P CA 1.753 64.947 63.100 0.157 0.000 0.857 61 P CB 0.266 32.011 31.700 0.075 0.000 0.787 62 G N -2.016 106.908 108.800 0.207 0.000 3.337 62 G HA2 0.076 4.036 3.960 -0.000 0.000 0.246 62 G HA3 0.076 4.036 3.960 -0.000 0.000 0.246 62 G C -0.123 174.909 174.900 0.220 0.000 1.131 62 G CA -0.486 44.715 45.100 0.168 0.000 0.773 62 G HN 0.168 nan 8.290 nan 0.000 0.544 63 F N 3.115 123.198 119.950 0.221 0.000 2.590 63 F HA 0.239 4.766 4.527 -0.000 0.000 0.389 63 F C -1.472 174.466 175.800 0.231 0.000 1.049 63 F CA -2.230 55.895 58.000 0.208 0.000 1.199 63 F CB 1.021 40.146 39.000 0.208 0.000 1.058 63 F HN -0.029 nan 8.300 nan 0.000 0.556 64 P HA 0.319 nan 4.420 nan 0.000 0.231 64 P C -0.083 177.146 177.300 -0.117 0.000 1.811 64 P CA 0.361 63.357 63.100 -0.173 0.000 1.051 64 P CB 0.164 31.701 31.700 -0.273 0.000 1.951 65 G N 0.274 109.312 108.800 0.395 0.000 2.368 65 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.269 65 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.269 65 G C 0.354 175.532 174.900 0.464 0.000 1.291 65 G CA -0.344 44.960 45.100 0.341 0.000 0.903 65 G HN -0.064 nan 8.290 nan 0.000 0.483 66 S N -0.376 115.474 115.700 0.251 0.000 2.561 66 S HA 0.205 4.675 4.470 -0.000 0.000 0.225 66 S C 1.096 175.724 174.600 0.047 0.000 0.977 66 S CA 0.243 58.529 58.200 0.142 0.000 0.926 66 S CB -0.296 62.947 63.200 0.071 0.000 0.769 66 S HN 0.353 nan 8.310 nan 0.000 0.533 67 I N 2.045 122.451 120.570 -0.273 0.000 2.379 67 I HA 0.091 4.260 4.170 -0.000 0.000 0.290 67 I C 1.110 177.159 176.117 -0.114 0.000 1.063 67 I CA -0.215 60.822 61.300 -0.437 0.000 1.351 67 I CB 1.295 38.648 38.000 -1.079 0.000 1.410 67 I HN 0.010 nan 8.210 nan 0.000 0.505 68 V N 4.965 124.959 119.914 0.133 0.000 3.263 68 V HA 0.614 4.734 4.120 -0.000 0.000 0.248 68 V C 0.670 177.004 176.094 0.401 0.000 1.145 68 V CA 1.131 63.617 62.300 0.309 0.000 1.107 68 V CB 0.396 32.399 31.823 0.300 0.000 0.797 68 V HN 0.824 nan 8.190 nan 0.000 0.467 69 G N -0.714 108.229 108.800 0.238 0.000 2.341 69 G HA2 0.721 4.681 3.960 -0.000 0.000 0.299 69 G HA3 0.721 4.681 3.960 -0.000 0.000 0.299 69 G C -1.433 173.439 174.900 -0.046 0.000 1.274 69 G CA -0.166 44.923 45.100 -0.019 0.000 0.853 69 G HN 1.298 nan 8.290 nan 0.000 0.493 70 A N -0.483 122.212 122.820 -0.209 0.000 2.488 70 A HA 0.770 5.090 4.320 -0.000 0.000 0.298 70 A C -1.205 176.205 177.584 -0.291 0.000 1.044 70 A CA -0.456 51.487 52.037 -0.157 0.000 0.693 70 A CB 1.406 20.422 19.000 0.027 0.000 1.272 70 A HN 1.173 nan 8.150 nan 0.000 0.402 71 H N 1.426 120.193 119.070 -0.504 0.000 2.457 71 H HA 0.675 5.231 4.556 -0.000 0.000 0.335 71 H C -1.742 173.257 175.328 -0.547 0.000 1.115 71 H CA -0.296 55.508 56.048 -0.408 0.000 1.219 71 H CB 0.920 30.493 29.762 -0.315 0.000 1.471 71 H HN 0.620 nan 8.280 nan 0.000 0.491 72 Y N 1.672 121.769 120.300 -0.338 0.000 2.477 72 Y HA 0.188 4.738 4.550 -0.000 0.000 0.347 72 Y C 0.231 175.983 175.900 -0.247 0.000 0.981 72 Y CA -0.811 57.155 58.100 -0.224 0.000 1.033 72 Y CB 2.292 40.778 38.460 0.043 0.000 1.245 72 Y HN 0.609 nan 8.280 nan 0.000 0.455 73 T N 0.329 114.873 114.554 -0.017 0.000 2.902 73 T HA 0.592 4.942 4.350 -0.000 0.000 0.283 73 T C -0.964 173.812 174.700 0.128 0.000 1.009 73 T CA -0.803 61.320 62.100 0.039 0.000 1.051 73 T CB 1.470 70.340 68.868 0.004 0.000 0.999 73 T HN 0.461 nan 8.240 nan 0.000 0.474 74 L N 2.568 123.794 121.223 0.006 0.000 2.276 74 L HA 0.382 4.722 4.340 -0.000 0.000 0.286 74 L C 0.152 176.942 176.870 -0.134 0.000 1.061 74 L CA 0.023 54.738 54.840 -0.209 0.000 0.807 74 L CB 0.816 42.668 42.059 -0.344 0.000 1.177 74 L HN 0.722 nan 8.230 nan 0.000 0.429 75 Q N 2.626 122.340 119.800 -0.143 0.000 2.212 75 Q HA 0.275 4.615 4.340 -0.000 0.000 0.238 75 Q C 1.087 177.027 176.000 -0.100 0.000 0.955 75 Q CA -0.350 55.401 55.803 -0.086 0.000 0.906 75 Q CB 1.352 30.056 28.738 -0.056 0.000 1.215 75 Q HN 0.802 nan 8.270 nan 0.000 0.478 76 S N 1.667 117.327 115.700 -0.066 0.000 2.402 76 S HA -0.180 4.290 4.470 -0.000 0.000 0.233 76 S C 1.304 175.862 174.600 -0.070 0.000 1.030 76 S CA 1.749 59.912 58.200 -0.061 0.000 1.003 76 S CB -0.290 62.885 63.200 -0.041 0.000 0.813 76 S HN 0.693 nan 8.310 nan 0.000 0.477 77 N N 1.112 119.769 118.700 -0.071 0.000 2.521 77 N HA 0.107 4.847 4.740 -0.000 0.000 0.188 77 N C 1.051 176.503 175.510 -0.098 0.000 1.146 77 N CA 0.940 53.947 53.050 -0.071 0.000 0.893 77 N CB -0.555 37.896 38.487 -0.059 0.000 0.975 77 N HN 0.450 nan 8.380 nan 0.000 0.451 78 G N -0.756 107.963 108.800 -0.134 0.000 2.176 78 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.253 78 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.253 78 G C -0.287 174.467 174.900 -0.243 0.000 0.979 78 G CA 0.036 45.027 45.100 -0.182 0.000 0.641 78 G HN 0.499 nan 8.290 nan 0.000 0.530 79 N N -0.342 118.238 118.700 -0.200 0.000 2.489 79 N HA 0.606 5.345 4.740 -0.000 0.000 0.284 79 N C -0.368 175.021 175.510 -0.202 0.000 1.158 79 N CA -0.362 52.578 53.050 -0.182 0.000 0.965 79 N CB 0.671 39.103 38.487 -0.091 0.000 1.195 79 N HN 0.207 nan 8.380 nan 0.000 0.506 80 Y N 0.251 120.494 120.300 -0.094 0.000 2.307 80 Y HA 0.273 4.822 4.550 -0.000 0.000 0.324 80 Y C 0.846 176.792 175.900 0.076 0.000 1.238 80 Y CA -0.095 57.999 58.100 -0.010 0.000 1.280 80 Y CB 1.214 39.647 38.460 -0.046 0.000 1.248 80 Y HN 0.201 nan 8.280 nan 0.000 0.508 81 K N 3.164 123.772 120.400 0.347 0.000 2.471 81 K HA 0.279 4.599 4.320 -0.000 0.000 0.252 81 K C -1.470 175.350 176.600 0.368 0.000 0.938 81 K CA -0.792 55.666 56.287 0.285 0.000 0.796 81 K CB 0.915 33.497 32.500 0.136 0.000 1.161 81 K HN 0.545 nan 8.250 nan 0.000 0.425 82 F N 3.805 123.904 119.950 0.248 0.000 2.578 82 F HA 0.019 4.546 4.527 -0.000 0.000 0.376 82 F C 0.779 176.506 175.800 -0.122 0.000 1.085 82 F CA 0.548 58.548 58.000 0.001 0.000 1.260 82 F CB 0.878 39.903 39.000 0.042 0.000 1.095 82 F HN 0.811 nan 8.300 nan 0.000 0.573 83 D N 2.356 122.105 120.400 -1.085 0.000 2.845 83 D HA 0.117 4.757 4.640 -0.000 0.000 0.272 83 D C -0.518 175.040 176.300 -1.237 0.000 1.275 83 D CA 0.984 54.478 54.000 -0.844 0.000 1.029 83 D CB 0.240 40.708 40.800 -0.553 0.000 1.131 83 D HN 0.697 nan 8.370 nan 0.000 0.423 84 Q N -1.197 117.819 119.800 -1.307 0.000 2.687 84 Q HA 0.327 4.667 4.340 -0.000 0.000 0.295 84 Q C -1.138 174.635 176.000 -0.378 0.000 0.920 84 Q CA -1.016 54.285 55.803 -0.836 0.000 0.766 84 Q CB 1.062 29.610 28.738 -0.317 0.000 1.467 84 Q HN -0.036 nan 8.270 nan 0.000 0.415 85 M N 1.275 120.876 119.600 0.002 0.000 2.247 85 M HA 0.448 4.928 4.480 -0.000 0.000 0.326 85 M C -0.537 175.644 176.300 -0.199 0.000 1.134 85 M CA -0.290 55.023 55.300 0.022 0.000 1.136 85 M CB 0.279 32.939 32.600 0.099 0.000 1.454 85 M HN 0.611 nan 8.290 nan 0.000 0.467 86 L N 3.667 124.750 121.223 -0.233 0.000 2.325 86 L HA 0.559 4.899 4.340 -0.000 0.000 0.281 86 L C -0.508 176.350 176.870 -0.020 0.000 1.004 86 L CA -0.366 54.190 54.840 -0.474 0.000 0.823 86 L CB 1.049 42.827 42.059 -0.468 0.000 1.236 86 L HN 0.589 nan 8.230 nan 0.000 0.415 87 L N 1.273 122.628 121.223 0.220 0.000 2.293 87 L HA 0.658 4.998 4.340 -0.000 0.000 0.264 87 L C 0.589 177.638 176.870 0.297 0.000 1.029 87 L CA -0.798 54.183 54.840 0.234 0.000 0.897 87 L CB 1.892 44.060 42.059 0.183 0.000 1.497 87 L HN 0.537 nan 8.230 nan 0.000 0.495 88 T N -2.701 111.980 114.554 0.213 0.000 2.881 88 T HA 0.442 4.792 4.350 -0.000 0.000 0.278 88 T C 1.022 175.804 174.700 0.137 0.000 0.982 88 T CA -0.104 62.114 62.100 0.196 0.000 0.989 88 T CB 1.514 70.505 68.868 0.205 0.000 1.058 88 T HN 0.624 nan 8.240 nan 0.000 0.529 89 A N 0.925 123.805 122.820 0.099 0.000 1.903 89 A HA -0.066 4.254 4.320 -0.000 0.000 0.219 89 A C 1.285 178.904 177.584 0.059 0.000 1.191 89 A CA 1.697 53.766 52.037 0.052 0.000 0.638 89 A CB -0.956 18.071 19.000 0.044 0.000 0.823 89 A HN 0.982 nan 8.150 nan 0.000 0.451 90 Q N -1.521 118.326 119.800 0.077 0.000 2.359 90 Q HA 0.519 4.859 4.340 -0.000 0.000 0.275 90 Q C -1.023 175.022 176.000 0.075 0.000 1.082 90 Q CA -0.972 54.874 55.803 0.071 0.000 0.849 90 Q CB 0.775 29.561 28.738 0.079 0.000 1.377 90 Q HN 0.191 nan 8.270 nan 0.000 0.452 91 N N 1.384 120.122 118.700 0.063 0.000 2.415 91 N HA 0.127 4.867 4.740 -0.000 0.000 0.250 91 N C 0.443 175.993 175.510 0.066 0.000 1.127 91 N CA -0.062 53.022 53.050 0.056 0.000 0.945 91 N CB 0.346 38.859 38.487 0.043 0.000 1.196 91 N HN 0.780 nan 8.380 nan 0.000 0.499 92 L N 4.430 125.688 121.223 0.058 0.000 2.043 92 L HA -0.118 4.222 4.340 -0.000 0.000 0.212 92 L C -0.680 176.271 176.870 0.134 0.000 1.075 92 L CA 1.244 56.144 54.840 0.100 0.000 0.752 92 L CB -1.171 40.834 42.059 -0.091 0.000 0.891 92 L HN 0.520 nan 8.230 nan 0.000 0.432 93 P HA -0.148 nan 4.420 nan 0.000 0.221 93 P C 1.221 178.523 177.300 0.004 0.000 1.145 93 P CA 1.429 64.545 63.100 0.027 0.000 0.795 93 P CB 0.006 31.713 31.700 0.011 0.000 0.775 94 A N -1.293 121.532 122.820 0.008 0.000 2.067 94 A HA -0.012 4.307 4.320 -0.000 0.000 0.217 94 A C 2.047 179.582 177.584 -0.082 0.000 1.156 94 A CA 1.586 53.607 52.037 -0.026 0.000 0.683 94 A CB -0.657 18.336 19.000 -0.012 0.000 0.808 94 A HN 0.132 nan 8.150 nan 0.000 0.455 95 S N -2.553 113.076 115.700 -0.118 0.000 2.589 95 S HA 0.347 4.817 4.470 -0.000 0.000 0.235 95 S C -0.445 173.745 174.600 -0.683 0.000 1.051 95 S CA -0.240 57.718 58.200 -0.402 0.000 0.978 95 S CB 0.121 63.018 63.200 -0.504 0.000 0.929 95 S HN 0.510 nan 8.310 nan 0.000 0.523 96 Y N 0.863 121.148 120.300 -0.026 0.000 2.536 96 Y HA 0.518 5.068 4.550 -0.000 0.000 0.347 96 Y C 0.688 176.554 175.900 -0.056 0.000 1.000 96 Y CA -1.125 56.965 58.100 -0.017 0.000 1.051 96 Y CB 0.996 39.451 38.460 -0.008 0.000 1.259 96 Y HN -0.165 nan 8.280 nan 0.000 0.468 97 N N -0.144 118.614 118.700 0.096 0.000 2.407 97 N HA 0.098 4.837 4.740 -0.000 0.000 0.182 97 N C -1.205 174.098 175.510 -0.346 0.000 1.079 97 N CA 0.446 53.404 53.050 -0.153 0.000 0.882 97 N CB 0.481 38.857 38.487 -0.185 0.000 1.106 97 N HN 0.545 nan 8.380 nan 0.000 0.461 98 Y N -1.139 119.239 120.300 0.130 0.000 2.553 98 Y HA 0.542 5.092 4.550 -0.000 0.000 0.347 98 Y C -0.284 175.731 175.900 0.192 0.000 1.019 98 Y CA -1.129 57.061 58.100 0.150 0.000 1.032 98 Y CB 2.185 40.751 38.460 0.176 0.000 1.284 98 Y HN -0.158 nan 8.280 nan 0.000 0.466 99 C N 2.483 121.980 119.300 0.328 0.000 3.239 99 C HA 0.789 5.249 4.460 -0.000 0.000 0.317 99 C C -1.788 173.164 174.990 -0.063 0.000 1.310 99 C CA -0.597 58.496 59.018 0.124 0.000 1.371 99 C CB 1.843 29.568 27.740 -0.025 0.000 1.714 99 C HN 0.978 nan 8.230 nan 0.000 0.473 100 R N 2.511 122.947 120.500 -0.106 0.000 2.584 100 R HA 0.539 4.879 4.340 -0.000 0.000 0.276 100 R C -1.736 174.618 176.300 0.090 0.000 1.046 100 R CA -0.763 55.245 56.100 -0.153 0.000 0.906 100 R CB 1.972 31.953 30.300 -0.532 0.000 1.215 100 R HN 0.690 nan 8.270 nan 0.000 0.449 101 L N 3.325 124.621 121.223 0.121 0.000 2.331 101 L HA 0.196 4.536 4.340 -0.000 0.000 0.278 101 L C 0.362 177.250 176.870 0.029 0.000 1.106 101 L CA 0.440 55.313 54.840 0.056 0.000 0.824 101 L CB 1.551 43.655 42.059 0.076 0.000 1.142 101 L HN 0.545 nan 8.230 nan 0.000 0.443 102 V N 2.699 122.587 119.914 -0.043 0.000 2.521 102 V HA 0.284 4.403 4.120 -0.000 0.000 0.239 102 V C 0.582 176.730 176.094 0.090 0.000 1.053 102 V CA 1.170 63.525 62.300 0.092 0.000 1.073 102 V CB 0.350 32.223 31.823 0.083 0.000 0.746 102 V HN 0.956 nan 8.190 nan 0.000 0.476 103 S N -0.323 115.335 115.700 -0.069 0.000 2.587 103 S HA 0.766 5.235 4.470 -0.000 0.000 0.269 103 S C -0.893 173.618 174.600 -0.149 0.000 1.154 103 S CA -0.868 57.281 58.200 -0.086 0.000 0.824 103 S CB 2.848 65.974 63.200 -0.123 0.000 1.118 103 S HN 0.472 nan 8.310 nan 0.000 0.462 104 R N 0.160 120.591 120.500 -0.115 0.000 2.644 104 R HA 0.662 5.002 4.340 -0.000 0.000 0.257 104 R C -1.897 174.324 176.300 -0.132 0.000 1.082 104 R CA 0.037 56.061 56.100 -0.126 0.000 0.927 104 R CB 1.554 31.789 30.300 -0.108 0.000 1.258 104 R HN 1.417 nan 8.270 nan 0.000 0.459 105 S N 3.572 119.182 115.700 -0.149 0.000 2.541 105 S HA 0.749 5.219 4.470 -0.000 0.000 0.271 105 S C -1.409 173.064 174.600 -0.211 0.000 1.133 105 S CA -0.845 57.232 58.200 -0.205 0.000 0.876 105 S CB 1.685 64.749 63.200 -0.225 0.000 1.105 105 S HN 0.442 nan 8.310 nan 0.000 0.470 106 L N 1.447 122.495 121.223 -0.291 0.000 2.422 106 L HA 0.715 5.054 4.340 -0.000 0.000 0.264 106 L C -0.377 176.361 176.870 -0.221 0.000 0.984 106 L CA -0.484 54.189 54.840 -0.279 0.000 0.819 106 L CB 2.730 44.466 42.059 -0.540 0.000 1.330 106 L HN 0.784 nan 8.230 nan 0.000 0.410 107 T N 1.366 115.856 114.554 -0.106 0.000 2.856 107 T HA 0.712 5.062 4.350 -0.000 0.000 0.283 107 T C -0.827 173.884 174.700 0.018 0.000 1.008 107 T CA -0.473 61.597 62.100 -0.051 0.000 0.997 107 T CB 2.068 70.919 68.868 -0.028 0.000 0.992 107 T HN 0.223 nan 8.240 nan 0.000 0.454 108 V N 4.311 124.254 119.914 0.048 0.000 2.483 108 V HA 0.767 4.886 4.120 -0.000 0.000 0.297 108 V C -0.333 175.789 176.094 0.046 0.000 1.027 108 V CA -0.912 61.435 62.300 0.078 0.000 0.855 108 V CB 1.556 33.468 31.823 0.149 0.000 0.995 108 V HN 0.970 nan 8.190 nan 0.000 0.424 109 R N 2.212 122.722 120.500 0.017 0.000 2.692 109 R HA 0.682 5.022 4.340 -0.000 0.000 0.269 109 R C -1.003 175.281 176.300 -0.027 0.000 1.030 109 R CA -0.561 55.542 56.100 0.005 0.000 0.882 109 R CB 1.610 31.919 30.300 0.015 0.000 1.250 109 R HN 0.429 nan 8.270 nan 0.000 0.465 110 S N -0.210 115.470 115.700 -0.033 0.000 2.565 110 S HA 0.259 4.729 4.470 -0.000 0.000 0.274 110 S C 0.461 175.042 174.600 -0.030 0.000 1.309 110 S CA 0.050 58.219 58.200 -0.052 0.000 1.043 110 S CB 0.851 64.022 63.200 -0.049 0.000 0.939 110 S HN 0.696 nan 8.310 nan 0.000 0.504 111 S N 1.911 117.590 115.700 -0.035 0.000 2.733 111 S HA 0.318 4.788 4.470 -0.000 0.000 0.247 111 S C 0.166 174.754 174.600 -0.020 0.000 1.043 111 S CA -0.404 57.783 58.200 -0.021 0.000 1.066 111 S CB 0.435 63.623 63.200 -0.020 0.000 1.045 111 S HN 0.546 nan 8.310 nan 0.000 0.586 112 T N 1.892 116.431 114.554 -0.025 0.000 2.900 112 T HA 0.673 5.023 4.350 -0.000 0.000 0.303 112 T C -1.621 173.068 174.700 -0.017 0.000 1.142 112 T CA -0.559 61.529 62.100 -0.019 0.000 1.007 112 T CB 1.821 70.677 68.868 -0.020 0.000 1.156 112 T HN 0.177 nan 8.240 nan 0.000 0.490 113 L N 3.744 124.961 121.223 -0.011 0.000 2.372 113 L HA 0.587 4.926 4.340 -0.000 0.000 0.274 113 L C -1.879 174.987 176.870 -0.005 0.000 0.988 113 L CA -1.274 53.562 54.840 -0.007 0.000 0.833 113 L CB 1.638 43.695 42.059 -0.004 0.000 1.236 113 L HN 0.496 nan 8.230 nan 0.000 0.410 122 G N 0.785 109.598 108.800 0.021 0.000 2.587 122 G HA2 0.077 4.037 3.960 -0.000 0.000 0.686 122 G HA3 0.077 4.037 3.960 -0.000 0.000 0.686 122 G C -0.727 174.209 174.900 0.060 0.000 1.236 122 G CA -0.302 44.819 45.100 0.034 0.000 0.820 122 G HN 0.844 nan 8.290 nan 0.000 0.645 123 T N -1.794 112.810 114.554 0.083 0.000 2.883 123 T HA 0.823 5.173 4.350 -0.000 0.000 0.296 123 T C -0.348 174.528 174.700 0.294 0.000 1.117 123 T CA -0.838 61.358 62.100 0.159 0.000 1.006 123 T CB 2.289 71.260 68.868 0.173 0.000 1.191 123 T HN 1.074 nan 8.240 nan 0.000 0.508 124 I N 1.591 122.351 120.570 0.317 0.000 2.545 124 I HA 0.488 4.658 4.170 -0.000 0.000 0.292 124 I C -0.947 175.292 176.117 0.204 0.000 1.040 124 I CA -0.935 60.569 61.300 0.341 0.000 1.068 124 I CB 2.251 40.383 38.000 0.220 0.000 1.251 124 I HN 0.565 nan 8.210 nan 0.000 0.424 125 N N 4.037 122.754 118.700 0.027 0.000 2.321 125 N HA 0.821 5.561 4.740 -0.000 0.000 0.299 125 N C -1.270 174.180 175.510 -0.100 0.000 1.048 125 N CA -0.442 52.466 53.050 -0.236 0.000 0.836 125 N CB 2.316 40.325 38.487 -0.797 0.000 1.269 125 N HN 0.697 nan 8.380 nan 0.000 0.486 126 A N 1.000 123.782 122.820 -0.063 0.000 2.475 126 A HA 0.815 5.135 4.320 -0.000 0.000 0.301 126 A C -1.332 176.229 177.584 -0.037 0.000 1.059 126 A CA -0.653 51.373 52.037 -0.018 0.000 0.710 126 A CB 1.508 20.528 19.000 0.033 0.000 1.288 126 A HN 0.428 nan 8.150 nan 0.000 0.408 127 V N 0.640 120.542 119.914 -0.020 0.000 3.120 127 V HA 0.731 4.851 4.120 -0.000 0.000 0.303 127 V C -0.913 175.194 176.094 0.022 0.000 1.238 127 V CA -0.239 62.052 62.300 -0.015 0.000 1.008 127 V CB 2.672 34.481 31.823 -0.024 0.000 1.064 127 V HN 1.023 nan 8.190 nan 0.000 0.434 128 T N 5.962 120.532 114.554 0.028 0.000 2.772 128 T HA 0.502 4.852 4.350 -0.000 0.000 0.288 128 T C -0.951 173.820 174.700 0.119 0.000 0.994 128 T CA 0.039 62.172 62.100 0.056 0.000 0.951 128 T CB 0.618 69.489 68.868 0.005 0.000 0.933 128 T HN 0.511 nan 8.240 nan 0.000 0.447 129 F N 2.768 122.705 119.950 -0.022 0.000 2.420 129 F HA 0.329 4.856 4.527 -0.000 0.000 0.342 129 F C 1.159 176.957 175.800 -0.003 0.000 1.113 129 F CA -0.953 57.038 58.000 -0.015 0.000 1.059 129 F CB 1.379 40.372 39.000 -0.012 0.000 1.128 129 F HN 0.501 nan 8.300 nan 0.000 0.475 130 Q N 3.827 123.291 119.800 -0.560 0.000 2.431 130 Q HA 0.183 4.523 4.340 -0.000 0.000 0.210 130 Q C 0.602 176.174 176.000 -0.714 0.000 0.958 130 Q CA 0.272 55.766 55.803 -0.516 0.000 0.957 130 Q CB 0.161 28.702 28.738 -0.329 0.000 1.007 130 Q HN 0.912 nan 8.270 nan 0.000 0.511 131 G N -0.222 107.781 108.800 -1.328 0.000 3.209 131 G HA2 0.443 4.403 3.960 -0.000 0.000 0.236 131 G HA3 0.443 4.403 3.960 -0.000 0.000 0.236 131 G C -0.648 174.244 174.900 -0.013 0.000 1.329 131 G CA -0.506 44.227 45.100 -0.612 0.000 1.015 131 G HN 0.210 nan 8.290 nan 0.000 0.571 132 S N -0.960 114.878 115.700 0.229 0.000 2.722 132 S HA 0.386 4.856 4.470 -0.000 0.000 0.292 132 S C 1.257 176.080 174.600 0.371 0.000 1.135 132 S CA -0.568 57.809 58.200 0.296 0.000 1.003 132 S CB 1.592 64.929 63.200 0.229 0.000 1.067 132 S HN 0.575 nan 8.310 nan 0.000 0.546 133 L N 1.881 123.270 121.223 0.278 0.000 2.010 133 L HA -0.181 4.159 4.340 -0.000 0.000 0.219 133 L C 2.504 179.459 176.870 0.142 0.000 1.077 133 L CA 2.780 57.713 54.840 0.155 0.000 0.773 133 L CB -1.359 40.757 42.059 0.095 0.000 0.892 133 L HN 0.994 nan 8.230 nan 0.000 0.436 134 S N -1.914 113.889 115.700 0.172 0.000 2.555 134 S HA -0.082 4.388 4.470 -0.000 0.000 0.230 134 S C 1.484 176.159 174.600 0.125 0.000 0.978 134 S CA 0.819 59.104 58.200 0.141 0.000 0.934 134 S CB -0.625 62.641 63.200 0.110 0.000 0.766 134 S HN 0.699 nan 8.310 nan 0.000 0.533 135 E N 0.558 120.874 120.200 0.195 0.000 2.442 135 E HA 0.212 4.562 4.350 -0.000 0.000 0.195 135 E C -0.129 176.532 176.600 0.101 0.000 1.030 135 E CA -0.209 56.333 56.400 0.236 0.000 0.869 135 E CB -0.092 29.847 29.700 0.398 0.000 0.857 135 E HN 0.519 nan 8.360 nan 0.000 0.505 136 L N 1.901 123.015 121.223 -0.180 0.000 2.490 136 L HA -0.038 4.301 4.340 -0.000 0.000 0.274 136 L C 1.757 178.509 176.870 -0.197 0.000 1.201 136 L CA 0.355 54.888 54.840 -0.512 0.000 0.869 136 L CB 0.609 42.346 42.059 -0.536 0.000 1.123 136 L HN 0.123 nan 8.230 nan 0.000 0.484 137 T N -2.872 111.576 114.554 -0.176 0.000 3.057 137 T HA 0.062 4.412 4.350 -0.000 0.000 0.254 137 T C 0.209 174.865 174.700 -0.073 0.000 1.094 137 T CA 0.038 62.092 62.100 -0.078 0.000 1.088 137 T CB 0.102 68.947 68.868 -0.039 0.000 0.934 137 T HN 0.553 nan 8.240 nan 0.000 0.497 138 D N 0.905 121.245 120.400 -0.101 0.000 2.891 138 D HA 0.249 4.889 4.640 -0.000 0.000 0.224 138 D C 0.101 176.365 176.300 -0.060 0.000 1.321 138 D CA -0.736 53.228 54.000 -0.060 0.000 0.929 138 D CB 2.079 42.850 40.800 -0.048 0.000 1.551 138 D HN 0.069 nan 8.370 nan 0.000 0.574 139 V N 1.664 121.580 119.914 0.002 0.000 3.121 139 V HA 0.361 4.481 4.120 -0.000 0.000 0.344 139 V C 0.598 176.773 176.094 0.135 0.000 1.390 139 V CA 0.066 62.393 62.300 0.045 0.000 1.177 139 V CB -0.585 31.305 31.823 0.112 0.000 1.163 139 V HN 0.459 nan 8.190 nan 0.000 0.484 140 S N -0.884 114.872 115.700 0.092 0.000 2.617 140 S HA 0.352 4.822 4.470 -0.000 0.000 0.269 140 S C 0.795 175.464 174.600 0.116 0.000 1.292 140 S CA 0.064 58.336 58.200 0.120 0.000 1.010 140 S CB 0.906 64.146 63.200 0.066 0.000 0.944 140 S HN 0.452 nan 8.310 nan 0.000 0.536 141 Y N 2.522 122.841 120.300 0.032 0.000 2.102 141 Y HA -0.259 4.291 4.550 -0.000 0.000 0.280 141 Y C 1.983 177.890 175.900 0.011 0.000 1.178 141 Y CA 2.547 60.658 58.100 0.019 0.000 1.146 141 Y CB -0.399 38.065 38.460 0.007 0.000 0.968 141 Y HN 0.723 nan 8.280 nan 0.000 0.504 142 N N -0.423 118.330 118.700 0.088 0.000 2.333 142 N HA -0.042 4.698 4.740 -0.000 0.000 0.178 142 N C 2.080 177.558 175.510 -0.053 0.000 1.018 142 N CA 1.058 54.101 53.050 -0.012 0.000 0.882 142 N CB -0.855 37.673 38.487 0.068 0.000 0.984 142 N HN 0.506 nan 8.380 nan 0.000 0.434 143 G N 2.234 111.020 108.800 -0.023 0.000 2.450 143 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.220 143 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.220 143 G C 1.661 176.522 174.900 -0.065 0.000 1.130 143 G CA 0.352 45.431 45.100 -0.035 0.000 0.760 143 G HN 0.205 nan 8.290 nan 0.000 0.557 144 L N 0.126 121.296 121.223 -0.089 0.000 2.127 144 L HA -0.120 4.220 4.340 -0.000 0.000 0.211 144 L C 2.825 179.639 176.870 -0.094 0.000 1.089 144 L CA 0.651 55.427 54.840 -0.106 0.000 0.757 144 L CB -0.453 41.528 42.059 -0.129 0.000 0.899 144 L HN 0.147 nan 8.230 nan 0.000 0.434 145 M N -0.726 118.811 119.600 -0.104 0.000 2.530 145 M HA -0.133 4.347 4.480 -0.000 0.000 0.261 145 M C 1.845 178.116 176.300 -0.049 0.000 1.067 145 M CA 1.283 56.534 55.300 -0.082 0.000 1.071 145 M CB -1.127 31.422 32.600 -0.085 0.000 1.405 145 M HN 0.184 nan 8.290 nan 0.000 0.478 146 S N -0.457 115.219 115.700 -0.041 0.000 2.539 146 S HA 0.327 4.796 4.470 -0.000 0.000 0.221 146 S C 1.854 176.453 174.600 -0.001 0.000 0.987 146 S CA 0.331 58.519 58.200 -0.020 0.000 0.929 146 S CB 0.104 63.294 63.200 -0.018 0.000 0.832 146 S HN 0.492 nan 8.310 nan 0.000 0.492 147 A N 1.627 124.441 122.820 -0.009 0.000 2.076 147 A HA 0.014 4.334 4.320 -0.000 0.000 0.220 147 A C 1.354 179.035 177.584 0.162 0.000 1.160 147 A CA 1.609 53.669 52.037 0.039 0.000 0.653 147 A CB -0.238 18.744 19.000 -0.030 0.000 0.801 147 A HN 0.429 nan 8.150 nan 0.000 0.455 148 T N -4.144 110.462 114.554 0.086 0.000 2.896 148 T HA 0.567 4.917 4.350 -0.000 0.000 0.297 148 T C 0.317 175.028 174.700 0.018 0.000 1.108 148 T CA 0.098 62.237 62.100 0.066 0.000 1.004 148 T CB 1.730 70.625 68.868 0.044 0.000 1.159 148 T HN 0.466 nan 8.240 nan 0.000 0.499 149 A N 2.489 125.312 122.820 0.003 0.000 2.267 149 A HA 0.326 4.646 4.320 -0.000 0.000 0.213 149 A C 0.585 178.153 177.584 -0.027 0.000 1.192 149 A CA -0.147 51.883 52.037 -0.011 0.000 0.851 149 A CB -0.193 18.801 19.000 -0.010 0.000 0.881 149 A HN 0.728 nan 8.150 nan 0.000 0.494 150 N N 0.853 119.533 118.700 -0.034 0.000 2.420 150 N HA 0.108 4.847 4.740 -0.000 0.000 0.262 150 N C 0.603 176.072 175.510 -0.068 0.000 1.144 150 N CA -0.233 52.785 53.050 -0.053 0.000 0.952 150 N CB 1.215 39.665 38.487 -0.062 0.000 1.081 150 N HN 0.197 nan 8.380 nan 0.000 0.480 151 I N 2.300 122.826 120.570 -0.072 0.000 2.361 151 I HA -0.177 3.993 4.170 -0.000 0.000 0.251 151 I C 1.116 177.159 176.117 -0.124 0.000 1.133 151 I CA 1.249 62.499 61.300 -0.084 0.000 1.413 151 I CB -0.141 37.815 38.000 -0.074 0.000 1.073 151 I HN 0.408 nan 8.210 nan 0.000 0.424 152 N N 0.641 119.252 118.700 -0.148 0.000 2.434 152 N HA -0.016 4.724 4.740 -0.000 0.000 0.196 152 N C 0.107 175.479 175.510 -0.230 0.000 1.183 152 N CA 0.436 53.350 53.050 -0.227 0.000 0.849 152 N CB 0.000 38.341 38.487 -0.243 0.000 0.992 152 N HN 0.424 nan 8.380 nan 0.000 0.460 153 D N 0.378 120.685 120.400 -0.155 0.000 2.571 153 D HA 0.091 4.731 4.640 -0.000 0.000 0.239 153 D C 0.028 176.273 176.300 -0.092 0.000 1.267 153 D CA 0.166 54.092 54.000 -0.124 0.000 0.823 153 D CB 0.792 41.543 40.800 -0.082 0.000 1.056 153 D HN 0.391 nan 8.370 nan 0.000 0.494 154 K N -0.355 119.981 120.400 -0.107 0.000 2.532 154 K HA 0.671 4.991 4.320 -0.000 0.000 0.265 154 K C -1.521 175.026 176.600 -0.089 0.000 0.948 154 K CA -0.897 55.341 56.287 -0.081 0.000 0.842 154 K CB 2.533 34.993 32.500 -0.066 0.000 1.392 154 K HN -0.158 nan 8.250 nan 0.000 0.436 155 I N 0.592 121.121 120.570 -0.069 0.000 2.692 155 I HA 0.531 4.701 4.170 -0.000 0.000 0.293 155 I C -1.254 174.838 176.117 -0.042 0.000 1.200 155 I CA 0.003 61.274 61.300 -0.049 0.000 1.036 155 I CB 2.458 40.441 38.000 -0.029 0.000 1.258 155 I HN 0.880 nan 8.210 nan 0.000 0.421 156 G N 3.982 112.766 108.800 -0.027 0.000 2.495 156 G HA2 0.422 4.382 3.960 -0.000 0.000 0.318 156 G HA3 0.422 4.382 3.960 -0.000 0.000 0.318 156 G C -0.515 174.403 174.900 0.030 0.000 1.257 156 G CA -0.546 44.539 45.100 -0.025 0.000 0.962 156 G HN 0.655 nan 8.290 nan 0.000 0.483 157 N N -0.554 118.190 118.700 0.074 0.000 2.714 157 N HA -0.166 4.574 4.740 -0.000 0.000 0.252 157 N C 0.325 175.904 175.510 0.116 0.000 1.014 157 N CA 0.644 53.782 53.050 0.146 0.000 0.735 157 N CB -0.941 37.625 38.487 0.130 0.000 0.924 157 N HN 0.400 nan 8.380 nan 0.000 0.540 158 V N 0.998 120.979 119.914 0.112 0.000 2.686 158 V HA 0.118 4.238 4.120 -0.000 0.000 0.295 158 V C 1.359 177.516 176.094 0.105 0.000 1.055 158 V CA -0.601 61.758 62.300 0.097 0.000 1.050 158 V CB 1.145 33.024 31.823 0.094 0.000 0.984 158 V HN 0.176 nan 8.190 nan 0.000 0.482 159 L N 5.138 126.410 121.223 0.083 0.000 2.499 159 L HA 0.041 4.381 4.340 -0.000 0.000 0.273 159 L C 1.566 178.478 176.870 0.071 0.000 1.195 159 L CA 0.012 54.895 54.840 0.072 0.000 0.882 159 L CB 0.926 43.018 42.059 0.055 0.000 1.133 159 L HN 0.757 nan 8.230 nan 0.000 0.483 160 V N 1.114 121.069 119.914 0.069 0.000 2.469 160 V HA -0.167 3.952 4.120 -0.000 0.000 0.251 160 V C 2.120 178.233 176.094 0.031 0.000 1.064 160 V CA 1.888 64.220 62.300 0.053 0.000 1.066 160 V CB -1.264 30.576 31.823 0.030 0.000 0.667 160 V HN 1.001 nan 8.190 nan 0.000 0.461 161 G N -0.156 108.660 108.800 0.028 0.000 2.422 161 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.218 161 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.218 161 G C 1.465 176.381 174.900 0.027 0.000 1.140 161 G CA 0.794 45.906 45.100 0.020 0.000 0.775 161 G HN 0.622 nan 8.290 nan 0.000 0.545 162 E N -0.324 119.899 120.200 0.039 0.000 2.076 162 E HA 0.305 4.655 4.350 -0.000 0.000 0.190 162 E C 1.425 178.055 176.600 0.050 0.000 0.979 162 E CA 0.281 56.708 56.400 0.045 0.000 0.807 162 E CB 0.034 29.766 29.700 0.054 0.000 0.761 162 E HN 0.446 nan 8.360 nan 0.000 0.454 163 G N 0.471 109.304 108.800 0.056 0.000 2.707 163 G HA2 -0.180 3.779 3.960 -0.000 0.000 0.686 163 G HA3 -0.180 3.779 3.960 -0.000 0.000 0.686 163 G C -0.998 173.946 174.900 0.074 0.000 1.315 163 G CA -0.418 44.717 45.100 0.059 0.000 0.832 163 G HN 0.196 nan 8.290 nan 0.000 0.573 164 V N 0.306 120.264 119.914 0.073 0.000 2.823 164 V HA 0.872 4.992 4.120 -0.000 0.000 0.312 164 V C 0.227 176.342 176.094 0.035 0.000 1.072 164 V CA 0.069 62.417 62.300 0.080 0.000 0.937 164 V CB 2.437 34.319 31.823 0.097 0.000 1.013 164 V HN 1.307 nan 8.190 nan 0.000 0.430 165 T N 4.504 119.067 114.554 0.015 0.000 2.792 165 T HA 0.521 4.871 4.350 -0.000 0.000 0.280 165 T C -0.688 173.951 174.700 -0.102 0.000 0.990 165 T CA -0.289 61.727 62.100 -0.139 0.000 0.960 165 T CB 1.465 70.087 68.868 -0.409 0.000 0.939 165 T HN 0.424 nan 8.240 nan 0.000 0.439 166 V N 4.795 124.598 119.914 -0.185 0.000 2.383 166 V HA 0.481 4.601 4.120 -0.000 0.000 0.275 166 V C -0.296 175.672 176.094 -0.210 0.000 1.036 166 V CA -0.735 61.463 62.300 -0.169 0.000 0.889 166 V CB 1.095 32.727 31.823 -0.318 0.000 0.985 166 V HN 0.644 nan 8.190 nan 0.000 0.459 167 L N 4.767 125.931 121.223 -0.098 0.000 2.341 167 L HA 0.630 4.970 4.340 -0.000 0.000 0.278 167 L C 0.176 177.014 176.870 -0.053 0.000 1.005 167 L CA 0.225 55.005 54.840 -0.099 0.000 0.818 167 L CB 2.115 44.183 42.059 0.016 0.000 1.259 167 L HN 0.616 nan 8.230 nan 0.000 0.418 168 S N 5.646 121.310 115.700 -0.061 0.000 2.439 168 S HA 0.589 5.058 4.470 -0.000 0.000 0.282 168 S C -0.515 174.081 174.600 -0.007 0.000 1.170 168 S CA -0.547 57.635 58.200 -0.030 0.000 1.054 168 S CB -0.253 62.930 63.200 -0.028 0.000 0.956 168 S HN 0.595 nan 8.310 nan 0.000 0.490 169 L N 6.562 127.779 121.223 -0.010 0.000 2.331 169 L HA 0.558 4.898 4.340 -0.000 0.000 0.275 169 L C -1.706 175.141 176.870 -0.038 0.000 1.022 169 L CA -2.364 52.472 54.840 -0.008 0.000 0.812 169 L CB 1.511 43.556 42.059 -0.024 0.000 1.257 169 L HN 0.544 nan 8.230 nan 0.000 0.435 170 P HA 0.005 nan 4.420 nan 0.000 0.265 170 P C -0.526 176.631 177.300 -0.239 0.000 1.187 170 P CA 0.012 62.977 63.100 -0.225 0.000 0.766 170 P CB 0.633 32.011 31.700 -0.537 0.000 0.820 171 T N 0.483 114.885 114.554 -0.252 0.000 3.466 171 T HA 0.369 4.719 4.350 -0.000 0.000 0.297 171 T C -0.382 174.158 174.700 -0.267 0.000 1.640 171 T CA -0.103 61.871 62.100 -0.211 0.000 1.631 171 T CB -0.658 68.123 68.868 -0.145 0.000 0.928 171 T HN 0.775 nan 8.240 nan 0.000 0.688 172 S N 0.933 116.425 115.700 -0.347 0.000 3.037 172 S HA -0.107 4.363 4.470 -0.000 0.000 0.855 172 S C -1.010 173.349 174.600 -0.402 0.000 0.983 172 S CA -0.573 57.432 58.200 -0.325 0.000 1.331 172 S CB -0.606 62.463 63.200 -0.219 0.000 0.947 172 S HN 0.563 nan 8.310 nan 0.000 0.240 173 Y N 1.436 121.694 120.300 -0.071 0.000 2.699 173 Y HA 0.472 5.022 4.550 -0.000 0.000 0.326 173 Y C 1.122 176.978 175.900 -0.074 0.000 1.141 173 Y CA -0.394 57.661 58.100 -0.075 0.000 1.246 173 Y CB 0.697 39.113 38.460 -0.075 0.000 1.426 173 Y HN 0.832 nan 8.280 nan 0.000 0.559 174 D N 0.751 121.246 120.400 0.159 0.000 2.837 174 D HA -0.183 4.457 4.640 -0.000 0.000 0.230 174 D C -1.034 175.293 176.300 0.045 0.000 1.152 174 D CA 0.754 54.796 54.000 0.069 0.000 0.736 174 D CB -1.062 39.769 40.800 0.053 0.000 1.084 174 D HN 0.255 nan 8.370 nan 0.000 0.429 175 L N -0.125 121.121 121.223 0.037 0.000 2.418 175 L HA 0.453 4.792 4.340 -0.000 0.000 0.265 175 L C 1.808 178.751 176.870 0.121 0.000 1.143 175 L CA -0.028 54.816 54.840 0.006 0.000 0.809 175 L CB 0.935 42.944 42.059 -0.084 0.000 1.124 175 L HN 0.054 nan 8.230 nan 0.000 0.456 176 G N 0.470 109.408 108.800 0.230 0.000 2.562 176 G HA2 0.239 4.199 3.960 -0.000 0.000 0.275 176 G HA3 0.239 4.199 3.960 -0.000 0.000 0.275 176 G C -0.990 174.059 174.900 0.248 0.000 1.196 176 G CA -0.341 44.909 45.100 0.250 0.000 0.908 176 G HN 0.321 nan 8.290 nan 0.000 0.524 177 Y N -0.926 119.420 120.300 0.078 0.000 2.397 177 Y HA 0.320 4.869 4.550 -0.000 0.000 0.335 177 Y C 0.815 176.750 175.900 0.058 0.000 1.213 177 Y CA 0.008 58.144 58.100 0.060 0.000 1.391 177 Y CB 1.302 39.760 38.460 -0.004 0.000 1.293 177 Y HN 0.154 nan 8.280 nan 0.000 0.557 178 V N 4.310 124.272 119.914 0.080 0.000 2.483 178 V HA 0.401 4.521 4.120 -0.000 0.000 0.295 178 V C -0.079 176.070 176.094 0.092 0.000 1.035 178 V CA -1.212 61.034 62.300 -0.089 0.000 0.896 178 V CB 1.598 33.111 31.823 -0.517 0.000 0.986 178 V HN 0.569 nan 8.190 nan 0.000 0.447 179 R N 2.634 123.140 120.500 0.010 0.000 2.543 179 R HA 0.286 4.626 4.340 -0.000 0.000 0.277 179 R C 0.543 176.728 176.300 -0.191 0.000 1.074 179 R CA 0.230 56.168 56.100 -0.270 0.000 1.076 179 R CB 0.312 30.472 30.300 -0.234 0.000 0.993 179 R HN 0.705 nan 8.270 nan 0.000 0.459 180 L N 2.914 124.011 121.223 -0.210 0.000 2.591 180 L HA 0.235 4.575 4.340 -0.000 0.000 0.228 180 L C 1.004 177.843 176.870 -0.052 0.000 1.133 180 L CA 0.692 55.474 54.840 -0.097 0.000 0.880 180 L CB 0.176 42.198 42.059 -0.062 0.000 1.033 180 L HN 1.092 nan 8.230 nan 0.000 0.450 181 G N 0.803 109.556 108.800 -0.080 0.000 2.149 181 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.235 181 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.235 181 G C -0.032 174.841 174.900 -0.044 0.000 1.018 181 G CA 0.200 45.275 45.100 -0.042 0.000 0.728 181 G HN 0.531 nan 8.290 nan 0.000 0.508 182 D N 0.349 120.704 120.400 -0.075 0.000 2.382 182 D HA 0.340 4.979 4.640 -0.000 0.000 0.240 182 D C -2.099 174.168 176.300 -0.055 0.000 1.146 182 D CA -1.196 52.766 54.000 -0.063 0.000 0.897 182 D CB 1.436 42.183 40.800 -0.088 0.000 1.197 182 D HN 0.262 nan 8.370 nan 0.000 0.432 183 P HA 0.199 nan 4.420 nan 0.000 0.275 183 P C -0.074 177.203 177.300 -0.039 0.000 1.228 183 P CA -0.404 62.675 63.100 -0.034 0.000 0.786 183 P CB 1.160 32.844 31.700 -0.026 0.000 0.927 184 I N -0.278 120.272 120.570 -0.034 0.000 2.750 184 I HA 0.624 4.794 4.170 -0.000 0.000 0.308 184 I C -2.586 173.516 176.117 -0.024 0.000 1.016 184 I CA -3.451 57.830 61.300 -0.031 0.000 1.098 184 I CB 1.239 39.220 38.000 -0.032 0.000 1.279 184 I HN 0.050 nan 8.210 nan 0.000 0.454 185 P HA 0.380 nan 4.420 nan 0.000 0.267 185 P C -0.968 176.323 177.300 -0.015 0.000 1.209 185 P CA 0.071 63.161 63.100 -0.017 0.000 0.763 185 P CB 0.723 32.413 31.700 -0.015 0.000 0.816 186 A N 3.361 126.173 122.820 -0.013 0.000 2.612 186 A HA 0.796 5.116 4.320 -0.000 0.000 0.293 186 A C -1.166 176.412 177.584 -0.009 0.000 1.075 186 A CA -0.680 51.350 52.037 -0.011 0.000 0.680 186 A CB 1.187 20.180 19.000 -0.012 0.000 1.279 186 A HN 0.564 nan 8.150 nan 0.000 0.411 187 I N -1.238 119.327 120.570 -0.008 0.000 2.619 187 I HA 0.924 5.094 4.170 -0.000 0.000 0.292 187 I C -0.102 176.011 176.117 -0.006 0.000 1.100 187 I CA -0.784 60.511 61.300 -0.007 0.000 1.043 187 I CB 2.259 40.255 38.000 -0.006 0.000 1.239 187 I HN 0.983 nan 8.210 nan 0.000 0.420 188 G N 4.228 113.025 108.800 -0.005 0.000 2.690 188 G HA2 0.506 4.466 3.960 -0.000 0.000 0.293 188 G HA3 0.506 4.466 3.960 -0.000 0.000 0.293 188 G C -0.033 174.864 174.900 -0.004 0.000 1.399 188 G CA -0.907 44.190 45.100 -0.005 0.000 0.890 188 G HN 0.725 nan 8.290 nan 0.000 0.485 189 L N -0.384 120.837 121.223 -0.004 0.000 2.141 189 L HA 0.036 4.376 4.340 -0.000 0.000 0.209 189 L C 0.827 177.695 176.870 -0.003 0.000 1.094 189 L CA 0.702 55.540 54.840 -0.004 0.000 0.763 189 L CB 0.064 42.120 42.059 -0.004 0.000 0.908 189 L HN 0.362 nan 8.230 nan 0.000 0.437 190 D N 0.629 121.027 120.400 -0.004 0.000 2.295 190 D HA 0.083 4.723 4.640 -0.000 0.000 0.248 190 D C -1.435 174.863 176.300 -0.003 0.000 1.154 190 D CA -2.053 51.945 54.000 -0.003 0.000 0.857 190 D CB 1.596 42.394 40.800 -0.004 0.000 1.117 190 D HN -0.041 nan 8.370 nan 0.000 0.468 191 P HA -0.083 nan 4.420 nan 0.000 0.226 191 P C 0.284 177.583 177.300 -0.001 0.000 1.153 191 P CA 0.717 63.816 63.100 -0.002 0.000 0.777 191 P CB 0.382 32.082 31.700 -0.001 0.000 0.794 192 K N -0.877 119.523 120.400 -0.001 0.000 2.446 192 K HA 0.209 4.528 4.320 -0.000 0.000 0.203 192 K C 1.094 177.694 176.600 -0.001 0.000 1.027 192 K CA -0.299 55.988 56.287 0.000 0.000 1.166 192 K CB -0.020 32.480 32.500 0.001 0.000 0.869 192 K HN 0.201 nan 8.250 nan 0.000 0.504 193 M N 2.131 121.730 119.600 -0.002 0.000 2.228 193 M HA 0.090 4.569 4.480 -0.000 0.000 0.351 193 M C -0.937 175.361 176.300 -0.003 0.000 1.233 193 M CA 0.357 55.655 55.300 -0.003 0.000 1.129 193 M CB 0.726 33.324 32.600 -0.004 0.000 1.604 193 M HN -0.182 nan 8.290 nan 0.000 0.457 194 V N 4.047 123.959 119.914 -0.004 0.000 2.709 194 V HA 0.809 4.929 4.120 -0.000 0.000 0.308 194 V C -0.753 175.337 176.094 -0.007 0.000 1.062 194 V CA -0.867 61.430 62.300 -0.004 0.000 0.901 194 V CB 1.748 33.570 31.823 -0.001 0.000 1.003 194 V HN 0.961 nan 8.190 nan 0.000 0.425 195 A N 2.970 125.783 122.820 -0.011 0.000 2.381 195 A HA 0.946 5.266 4.320 -0.000 0.000 0.299 195 A C -0.284 177.287 177.584 -0.021 0.000 1.049 195 A CA -0.232 51.796 52.037 -0.015 0.000 0.715 195 A CB 1.821 20.812 19.000 -0.016 0.000 1.222 195 A HN 1.045 nan 8.150 nan 0.000 0.428 196 T N -1.994 112.544 114.554 -0.026 0.000 2.883 196 T HA 0.586 4.935 4.350 -0.000 0.000 0.296 196 T C -0.780 173.890 174.700 -0.051 0.000 1.117 196 T CA -0.718 61.360 62.100 -0.036 0.000 1.006 196 T CB 1.353 70.204 68.868 -0.029 0.000 1.191 196 T HN 1.190 nan 8.240 nan 0.000 0.508 197 C N 2.490 121.749 119.300 -0.068 0.000 2.251 197 C HA 0.641 5.101 4.460 -0.000 0.000 0.323 197 C C -0.695 174.237 174.990 -0.096 0.000 1.241 197 C CA -0.430 58.536 59.018 -0.086 0.000 1.601 197 C CB -1.249 26.431 27.740 -0.101 0.000 2.251 197 C HN 0.867 nan 8.230 nan 0.000 0.488 198 D N 2.691 123.037 120.400 -0.089 0.000 2.277 198 D HA 0.204 4.844 4.640 -0.000 0.000 0.250 198 D C -0.011 176.251 176.300 -0.064 0.000 1.032 198 D CA 0.165 54.123 54.000 -0.069 0.000 0.947 198 D CB 1.614 42.384 40.800 -0.051 0.000 1.159 198 D HN 0.593 nan 8.370 nan 0.000 0.460 199 S N -0.016 115.659 115.700 -0.042 0.000 2.571 199 S HA 0.082 4.552 4.470 -0.000 0.000 0.297 199 S C 0.940 175.544 174.600 0.006 0.000 1.234 199 S CA 0.213 58.380 58.200 -0.054 0.000 1.120 199 S CB -0.128 63.025 63.200 -0.077 0.000 0.923 199 S HN 0.458 nan 8.310 nan 0.000 0.504 200 S N 2.748 118.453 115.700 0.009 0.000 2.818 200 S HA 0.202 4.672 4.470 -0.000 0.000 0.251 200 S C -0.284 174.362 174.600 0.077 0.000 1.083 200 S CA -0.400 57.833 58.200 0.054 0.000 0.871 200 S CB -0.611 62.586 63.200 -0.004 0.000 0.831 200 S HN 0.672 nan 8.310 nan 0.000 0.470 201 D N 3.315 123.755 120.400 0.067 0.000 2.525 201 D HA 0.266 4.906 4.640 -0.000 0.000 0.235 201 D C 0.096 176.467 176.300 0.119 0.000 1.137 201 D CA 0.618 54.675 54.000 0.094 0.000 0.868 201 D CB -0.011 40.858 40.800 0.115 0.000 1.180 201 D HN 0.172 nan 8.370 nan 0.000 0.465 202 R N -0.289 120.273 120.500 0.102 0.000 3.184 202 R HA -0.100 4.240 4.340 -0.000 0.000 0.257 202 R C -2.505 173.837 176.300 0.069 0.000 0.999 202 R CA -0.075 56.078 56.100 0.089 0.000 0.670 202 R CB -1.779 28.603 30.300 0.137 0.000 1.197 202 R HN 0.455 nan 8.270 nan 0.000 0.419 203 P HA 0.081 nan 4.420 nan 0.000 0.272 203 P C -0.319 176.963 177.300 -0.029 0.000 1.230 203 P CA -0.120 62.999 63.100 0.032 0.000 0.788 203 P CB 0.730 32.461 31.700 0.052 0.000 0.949 204 R N 1.223 121.681 120.500 -0.070 0.000 2.407 204 R HA 0.541 4.880 4.340 -0.000 0.000 0.303 204 R C -1.411 174.761 176.300 -0.214 0.000 0.981 204 R CA -0.721 55.276 56.100 -0.172 0.000 0.905 204 R CB 0.920 31.099 30.300 -0.202 0.000 1.099 204 R HN 0.256 nan 8.270 nan 0.000 0.459 205 V N 5.252 124.999 119.914 -0.278 0.000 2.531 205 V HA 0.372 4.492 4.120 -0.000 0.000 0.301 205 V C -1.306 174.631 176.094 -0.262 0.000 1.034 205 V CA -0.699 61.483 62.300 -0.197 0.000 0.865 205 V CB 1.562 33.328 31.823 -0.096 0.000 0.995 205 V HN 0.703 nan 8.190 nan 0.000 0.424 206 Y N 1.782 122.057 120.300 -0.042 0.000 2.341 206 Y HA 0.607 5.157 4.550 -0.000 0.000 0.337 206 Y C 0.692 176.549 175.900 -0.072 0.000 1.014 206 Y CA -0.585 57.486 58.100 -0.048 0.000 1.111 206 Y CB 2.152 40.590 38.460 -0.038 0.000 1.194 206 Y HN 0.520 nan 8.280 nan 0.000 0.462 207 T N 5.335 119.934 114.554 0.076 0.000 2.786 207 T HA 0.579 4.929 4.350 -0.000 0.000 0.283 207 T C -0.488 174.163 174.700 -0.082 0.000 0.992 207 T CA -0.523 61.563 62.100 -0.023 0.000 0.954 207 T CB 0.361 69.206 68.868 -0.038 0.000 0.934 207 T HN 0.380 nan 8.240 nan 0.000 0.440 208 I N 2.717 123.184 120.570 -0.171 0.000 2.382 208 I HA 0.283 4.453 4.170 -0.000 0.000 0.286 208 I C 0.170 176.094 176.117 -0.322 0.000 1.002 208 I CA -0.683 60.432 61.300 -0.307 0.000 1.135 208 I CB 1.807 39.490 38.000 -0.528 0.000 1.288 208 I HN 0.465 nan 8.210 nan 0.000 0.448 209 T N 5.652 120.050 114.554 -0.260 0.000 2.811 209 T HA 0.274 4.624 4.350 -0.000 0.000 0.309 209 T C 1.058 175.607 174.700 -0.250 0.000 1.005 209 T CA -0.307 61.672 62.100 -0.202 0.000 0.955 209 T CB 1.329 70.126 68.868 -0.119 0.000 0.970 209 T HN 0.762 nan 8.240 nan 0.000 0.496 210 A N 3.019 125.675 122.820 -0.274 0.000 2.016 210 A HA 0.614 4.934 4.320 -0.000 0.000 0.217 210 A C 1.168 178.719 177.584 -0.055 0.000 1.162 210 A CA 0.490 52.400 52.037 -0.212 0.000 0.662 210 A CB 0.139 19.116 19.000 -0.038 0.000 0.812 210 A HN 0.891 nan 8.150 nan 0.000 0.450 211 A N -0.726 122.069 122.820 -0.041 0.000 2.540 211 A HA 0.544 4.863 4.320 -0.000 0.000 0.297 211 A C -1.857 175.744 177.584 0.029 0.000 1.056 211 A CA -0.222 51.836 52.037 0.034 0.000 0.700 211 A CB 1.050 20.108 19.000 0.097 0.000 1.280 211 A HN 0.054 nan 8.150 nan 0.000 0.398 212 D N 2.072 122.518 120.400 0.075 0.000 2.468 212 D HA 0.400 5.040 4.640 -0.000 0.000 0.272 212 D C -0.663 175.695 176.300 0.095 0.000 1.221 212 D CA 0.216 54.249 54.000 0.056 0.000 0.860 212 D CB 0.079 40.898 40.800 0.033 0.000 1.190 212 D HN 0.450 nan 8.370 nan 0.000 0.509 213 D N 1.704 122.166 120.400 0.104 0.000 2.775 213 D HA -0.275 4.365 4.640 -0.000 0.000 0.235 213 D C -0.620 175.771 176.300 0.151 0.000 1.120 213 D CA 0.384 54.455 54.000 0.118 0.000 0.708 213 D CB -1.680 39.173 40.800 0.088 0.000 1.084 213 D HN 0.472 nan 8.370 nan 0.000 0.434 214 Y N 1.257 121.616 120.300 0.099 0.000 2.465 214 Y HA 0.241 4.791 4.550 -0.000 0.000 0.331 214 Y C 0.464 176.443 175.900 0.132 0.000 1.102 214 Y CA 0.176 58.347 58.100 0.118 0.000 1.358 214 Y CB 0.687 39.246 38.460 0.165 0.000 1.213 214 Y HN -0.085 nan 8.280 nan 0.000 0.525 215 Q N 7.179 126.549 119.800 -0.717 0.000 2.331 215 Q HA 0.190 4.529 4.340 -0.000 0.000 0.257 215 Q C -1.528 173.857 176.000 -1.026 0.000 0.957 215 Q CA -0.412 55.014 55.803 -0.628 0.000 0.923 215 Q CB 0.955 29.482 28.738 -0.352 0.000 1.212 215 Q HN 0.726 nan 8.270 nan 0.000 0.443 216 F N 1.700 121.022 119.950 -1.046 0.000 2.443 216 F HA 0.539 5.065 4.527 -0.000 0.000 0.335 216 F C -0.539 174.847 175.800 -0.689 0.000 1.104 216 F CA -0.424 56.946 58.000 -1.049 0.000 1.013 216 F CB 1.565 39.411 39.000 -1.923 0.000 1.136 216 F HN 0.320 nan 8.300 nan 0.000 0.470 217 S N 4.143 118.967 115.700 -1.460 0.000 2.566 217 S HA 0.684 5.153 4.470 -0.000 0.000 0.273 217 S C -1.389 172.632 174.600 -0.965 0.000 1.157 217 S CA -0.304 57.307 58.200 -0.981 0.000 0.938 217 S CB 1.221 64.125 63.200 -0.493 0.000 1.087 217 S HN 1.076 nan 8.310 nan 0.000 0.474 218 S N 3.001 118.331 115.700 -0.617 0.000 2.578 218 S HA 0.431 4.901 4.470 -0.000 0.000 0.272 218 S C -1.631 172.911 174.600 -0.096 0.000 1.145 218 S CA -0.583 57.419 58.200 -0.329 0.000 0.835 218 S CB 1.628 64.651 63.200 -0.294 0.000 1.104 218 S HN 0.868 nan 8.310 nan 0.000 0.458 219 Q N 1.791 121.571 119.800 -0.034 0.000 2.340 219 Q HA 0.370 4.709 4.340 -0.000 0.000 0.249 219 Q C -0.462 175.603 176.000 0.108 0.000 0.957 219 Q CA -0.510 55.320 55.803 0.046 0.000 0.882 219 Q CB 0.487 29.248 28.738 0.039 0.000 1.235 219 Q HN 0.708 nan 8.270 nan 0.000 0.439 220 Y N 2.473 122.796 120.300 0.039 0.000 2.748 220 Y HA -0.156 4.394 4.550 -0.000 0.000 0.352 220 Y C -0.543 175.388 175.900 0.051 0.000 1.274 220 Y CA 1.110 59.244 58.100 0.057 0.000 1.472 220 Y CB 0.453 38.941 38.460 0.046 0.000 1.350 220 Y HN 0.699 nan 8.280 nan 0.000 0.672 221 Q N 3.032 122.171 119.800 -1.102 0.000 2.507 221 Q HA 0.196 4.536 4.340 -0.000 0.000 0.248 221 Q C -1.596 173.814 176.000 -0.984 0.000 0.941 221 Q CA -0.500 54.864 55.803 -0.733 0.000 1.003 221 Q CB 1.202 29.775 28.738 -0.274 0.000 1.517 221 Q HN 0.844 nan 8.270 nan 0.000 0.443 222 S N 1.905 117.251 115.700 -0.589 0.000 2.546 222 S HA 0.419 4.889 4.470 -0.000 0.000 0.290 222 S C 1.178 175.669 174.600 -0.181 0.000 1.290 222 S CA 2.061 60.109 58.200 -0.254 0.000 1.069 222 S CB 0.038 63.235 63.200 -0.005 0.000 0.846 222 S HN 1.347 nan 8.310 nan 0.000 0.495 223 G N 2.887 111.618 108.800 -0.115 0.000 2.234 223 G HA2 0.102 4.062 3.960 -0.000 0.000 0.235 223 G HA3 0.102 4.062 3.960 -0.000 0.000 0.235 223 G C 1.172 176.032 174.900 -0.068 0.000 0.997 223 G CA 0.271 45.331 45.100 -0.067 0.000 0.623 223 G HN 2.241 nan 8.290 nan 0.000 0.514 224 G N -2.154 106.576 108.800 -0.117 0.000 2.707 224 G HA2 0.309 4.269 3.960 -0.000 0.000 0.686 224 G HA3 0.309 4.269 3.960 -0.000 0.000 0.686 224 G C -0.512 174.372 174.900 -0.027 0.000 1.315 224 G CA 0.046 45.109 45.100 -0.062 0.000 0.832 224 G HN 1.547 nan 8.290 nan 0.000 0.573 225 V N 0.834 120.771 119.914 0.039 0.000 2.448 225 V HA 0.715 4.835 4.120 -0.000 0.000 0.295 225 V C 0.566 176.717 176.094 0.095 0.000 1.025 225 V CA -0.265 62.091 62.300 0.094 0.000 0.859 225 V CB 1.817 33.770 31.823 0.216 0.000 0.988 225 V HN 1.026 nan 8.190 nan 0.000 0.431 226 T N 6.583 121.186 114.554 0.082 0.000 2.829 226 T HA 0.731 5.080 4.350 -0.000 0.000 0.282 226 T C -0.251 174.512 174.700 0.105 0.000 0.990 226 T CA -0.151 61.991 62.100 0.072 0.000 1.028 226 T CB 0.947 69.840 68.868 0.041 0.000 0.951 226 T HN 0.681 nan 8.240 nan 0.000 0.460 227 I N -0.766 119.871 120.570 0.111 0.000 2.828 227 I HA 0.659 4.829 4.170 -0.000 0.000 0.302 227 I C -0.747 175.419 176.117 0.081 0.000 1.101 227 I CA -0.901 60.480 61.300 0.135 0.000 1.031 227 I CB 2.529 40.676 38.000 0.245 0.000 1.231 227 I HN 0.330 nan 8.210 nan 0.000 0.427 228 T N 5.428 120.008 114.554 0.043 0.000 2.781 228 T HA 0.247 4.597 4.350 -0.000 0.000 0.305 228 T C 0.759 175.453 174.700 -0.011 0.000 1.001 228 T CA -0.286 61.802 62.100 -0.020 0.000 0.950 228 T CB 1.158 69.989 68.868 -0.062 0.000 0.955 228 T HN 0.577 nan 8.240 nan 0.000 0.471 229 L N 4.415 125.633 121.223 -0.008 0.000 2.046 229 L HA 0.208 4.548 4.340 -0.000 0.000 0.208 229 L C 0.217 177.148 176.870 0.101 0.000 1.077 229 L CA 1.829 56.694 54.840 0.041 0.000 0.747 229 L CB -0.343 41.802 42.059 0.143 0.000 0.896 229 L HN 0.739 nan 8.230 nan 0.000 0.432 230 F N -3.897 116.044 119.950 -0.015 0.000 2.773 230 F HA 0.607 5.133 4.527 -0.000 0.000 0.314 230 F C -0.771 175.020 175.800 -0.016 0.000 1.160 230 F CA -0.974 57.007 58.000 -0.031 0.000 0.920 230 F CB 0.656 39.630 39.000 -0.044 0.000 1.323 230 F HN -0.338 nan 8.300 nan 0.000 0.457 231 S N 1.127 116.963 115.700 0.226 0.000 2.619 231 S HA 0.890 5.360 4.470 -0.000 0.000 0.280 231 S C -1.409 173.323 174.600 0.220 0.000 1.150 231 S CA 0.162 58.431 58.200 0.114 0.000 0.978 231 S CB 1.109 64.310 63.200 0.001 0.000 1.041 231 S HN 1.634 nan 8.310 nan 0.000 0.485 232 A N 4.009 126.951 122.820 0.202 0.000 2.498 232 A HA 0.755 5.074 4.320 -0.000 0.000 0.298 232 A C -0.958 176.620 177.584 -0.010 0.000 1.075 232 A CA -0.900 51.188 52.037 0.085 0.000 0.714 232 A CB 1.134 20.171 19.000 0.060 0.000 1.299 232 A HN 0.744 nan 8.150 nan 0.000 0.407 233 N N 1.250 119.924 118.700 -0.044 0.000 2.458 233 N HA 0.567 5.307 4.740 -0.000 0.000 0.270 233 N C -0.453 174.942 175.510 -0.192 0.000 1.102 233 N CA 0.228 53.239 53.050 -0.064 0.000 0.967 233 N CB 0.972 39.453 38.487 -0.010 0.000 1.078 233 N HN 0.737 nan 8.380 nan 0.000 0.471 234 I N -1.965 118.470 120.570 -0.225 0.000 3.095 234 I HA 0.567 4.737 4.170 -0.000 0.000 0.310 234 I C -1.270 174.796 176.117 -0.084 0.000 1.196 234 I CA -0.945 60.077 61.300 -0.464 0.000 0.985 234 I CB 2.835 40.388 38.000 -0.745 0.000 1.250 234 I HN 0.045 nan 8.210 nan 0.000 0.446 235 D N 2.425 122.887 120.400 0.104 0.000 2.498 235 D HA 0.752 5.392 4.640 -0.000 0.000 0.247 235 D C -1.046 175.342 176.300 0.146 0.000 1.070 235 D CA -0.215 53.875 54.000 0.150 0.000 0.842 235 D CB 2.444 43.364 40.800 0.200 0.000 1.361 235 D HN 0.906 nan 8.370 nan 0.000 0.484 236 A N 1.793 124.666 122.820 0.089 0.000 2.540 236 A HA 0.528 4.847 4.320 -0.000 0.000 0.297 236 A C -0.369 177.226 177.584 0.018 0.000 1.056 236 A CA -0.497 51.576 52.037 0.059 0.000 0.700 236 A CB 0.894 19.925 19.000 0.051 0.000 1.280 236 A HN 0.558 nan 8.150 nan 0.000 0.398 237 I N 0.423 120.989 120.570 -0.007 0.000 4.338 237 I HA 0.126 4.296 4.170 -0.000 0.000 0.315 237 I C 1.125 177.232 176.117 -0.018 0.000 1.262 237 I CA 1.055 62.316 61.300 -0.064 0.000 1.298 237 I CB 0.906 38.796 38.000 -0.182 0.000 1.257 237 I HN 0.808 nan 8.210 nan 0.000 0.444 238 T N -1.548 113.027 114.554 0.034 0.000 2.762 238 T HA 0.414 4.764 4.350 -0.000 0.000 0.272 238 T C 0.275 175.017 174.700 0.071 0.000 0.982 238 T CA -0.468 61.668 62.100 0.059 0.000 1.013 238 T CB 1.223 70.154 68.868 0.105 0.000 1.309 238 T HN 0.116 nan 8.240 nan 0.000 0.572 239 S N 0.580 116.339 115.700 0.099 0.000 2.554 239 S HA 0.305 4.775 4.470 -0.000 0.000 0.290 239 S C 0.070 174.751 174.600 0.135 0.000 1.309 239 S CA -0.324 57.961 58.200 0.142 0.000 1.047 239 S CB -1.025 62.292 63.200 0.194 0.000 0.828 239 S HN 1.234 nan 8.310 nan 0.000 0.509 240 L N -0.454 120.810 121.223 0.069 0.000 2.491 240 L HA 0.940 5.280 4.340 -0.000 0.000 0.254 240 L C -0.643 176.202 176.870 -0.041 0.000 1.048 240 L CA -1.007 53.765 54.840 -0.114 0.000 0.855 240 L CB 1.905 43.934 42.059 -0.051 0.000 1.466 240 L HN 0.857 nan 8.230 nan 0.000 0.409 241 S N 0.141 115.780 115.700 -0.103 0.000 2.570 241 S HA 0.840 5.309 4.470 -0.000 0.000 0.286 241 S C -0.934 173.682 174.600 0.027 0.000 1.099 241 S CA -0.660 57.558 58.200 0.030 0.000 0.913 241 S CB 1.826 65.091 63.200 0.107 0.000 1.085 241 S HN 0.662 nan 8.310 nan 0.000 0.480 242 I N 1.713 122.326 120.570 0.072 0.000 2.439 242 I HA 0.659 4.829 4.170 -0.000 0.000 0.285 242 I C 0.469 176.656 176.117 0.117 0.000 1.021 242 I CA -0.391 60.958 61.300 0.081 0.000 1.091 242 I CB 1.890 39.964 38.000 0.124 0.000 1.242 242 I HN 0.964 nan 8.210 nan 0.000 0.439 243 G N 3.017 111.852 108.800 0.058 0.000 2.816 243 G HA2 0.894 4.854 3.960 -0.000 0.000 0.288 243 G HA3 0.894 4.854 3.960 -0.000 0.000 0.288 243 G C -0.461 174.439 174.900 -0.001 0.000 1.334 243 G CA -0.480 44.673 45.100 0.088 0.000 0.978 243 G HN 0.993 nan 8.290 nan 0.000 0.493 244 G N -0.992 107.841 108.800 0.055 0.000 2.362 244 G HA2 0.497 4.457 3.960 -0.000 0.000 0.517 244 G HA3 0.497 4.457 3.960 -0.000 0.000 0.517 244 G C -0.692 174.293 174.900 0.142 0.000 1.256 244 G CA 0.450 45.546 45.100 -0.006 0.000 1.027 244 G HN 1.697 nan 8.290 nan 0.000 0.491 245 E N -1.591 118.661 120.200 0.087 0.000 2.388 245 E HA 0.624 4.974 4.350 -0.000 0.000 0.281 245 E C -1.721 174.961 176.600 0.138 0.000 1.046 245 E CA -1.149 55.392 56.400 0.235 0.000 0.825 245 E CB 1.284 31.078 29.700 0.156 0.000 1.243 245 E HN 0.732 nan 8.360 nan 0.000 0.438 246 L N 1.888 123.238 121.223 0.211 0.000 2.334 246 L HA 0.636 4.975 4.340 -0.000 0.000 0.276 246 L C -0.871 175.969 176.870 -0.050 0.000 1.014 246 L CA -1.386 53.465 54.840 0.018 0.000 0.815 246 L CB 2.034 44.121 42.059 0.048 0.000 1.268 246 L HN 0.457 nan 8.230 nan 0.000 0.428 247 V N 3.063 122.839 119.914 -0.230 0.000 2.384 247 V HA 0.434 4.554 4.120 -0.000 0.000 0.287 247 V C -0.629 175.233 176.094 -0.386 0.000 1.020 247 V CA -0.414 61.771 62.300 -0.192 0.000 0.850 247 V CB 1.510 33.224 31.823 -0.182 0.000 0.987 247 V HN 0.363 nan 8.190 nan 0.000 0.436 248 F N 2.980 122.802 119.950 -0.214 0.000 2.480 248 F HA 0.608 5.134 4.527 -0.000 0.000 0.329 248 F C 0.383 176.119 175.800 -0.107 0.000 1.091 248 F CA -0.458 57.439 58.000 -0.172 0.000 0.972 248 F CB 1.393 40.253 39.000 -0.233 0.000 1.150 248 F HN 0.467 nan 8.300 nan 0.000 0.467 249 H N -0.032 119.223 119.070 0.308 0.000 2.572 249 H HA 0.622 5.178 4.556 -0.000 0.000 0.359 249 H C -0.636 174.851 175.328 0.265 0.000 1.134 249 H CA -0.810 55.368 56.048 0.216 0.000 1.187 249 H CB 2.348 32.202 29.762 0.154 0.000 1.597 249 H HN 0.612 nan 8.280 nan 0.000 0.524 250 T N 0.151 114.893 114.554 0.314 0.000 2.889 250 T HA 0.185 4.535 4.350 -0.000 0.000 0.315 250 T C 0.326 175.094 174.700 0.113 0.000 1.291 250 T CA -0.279 61.964 62.100 0.239 0.000 1.028 250 T CB 1.175 70.194 68.868 0.253 0.000 1.235 250 T HN 0.643 nan 8.240 nan 0.000 0.491 251 S N 1.277 117.035 115.700 0.097 0.000 2.526 251 S HA 0.312 4.781 4.470 -0.000 0.000 0.220 251 S C 0.500 175.143 174.600 0.072 0.000 1.017 251 S CA -0.139 58.094 58.200 0.055 0.000 0.930 251 S CB 0.098 63.336 63.200 0.063 0.000 0.856 251 S HN 0.524 nan 8.310 nan 0.000 0.497 252 V N 3.505 123.481 119.914 0.103 0.000 2.732 252 V HA 0.313 4.433 4.120 -0.000 0.000 0.297 252 V C 0.240 176.405 176.094 0.118 0.000 1.060 252 V CA -0.443 61.949 62.300 0.153 0.000 1.038 252 V CB 0.658 32.573 31.823 0.154 0.000 1.003 252 V HN 0.506 nan 8.190 nan 0.000 0.481 253 H N 1.944 121.053 119.070 0.066 0.000 2.525 253 H HA 0.427 4.982 4.556 -0.000 0.000 0.340 253 H C 1.152 176.514 175.328 0.057 0.000 1.168 253 H CA 0.222 56.304 56.048 0.056 0.000 1.247 253 H CB 1.622 31.406 29.762 0.037 0.000 1.568 253 H HN 0.935 nan 8.280 nan 0.000 0.536 254 G N 1.543 110.441 108.800 0.163 0.000 2.153 254 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.252 254 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.252 254 G C 0.005 174.962 174.900 0.095 0.000 0.994 254 G CA 0.045 45.210 45.100 0.109 0.000 0.698 254 G HN 0.382 nan 8.290 nan 0.000 0.521 255 L N 0.126 121.403 121.223 0.091 0.000 2.334 255 L HA 0.742 5.082 4.340 -0.000 0.000 0.277 255 L C 0.623 177.502 176.870 0.015 0.000 1.075 255 L CA -0.214 54.680 54.840 0.090 0.000 0.804 255 L CB 1.729 43.876 42.059 0.146 0.000 1.174 255 L HN 0.349 nan 8.230 nan 0.000 0.438 256 A N 4.156 126.972 122.820 -0.006 0.000 2.414 256 A HA 0.854 5.174 4.320 -0.000 0.000 0.306 256 A C -1.011 176.494 177.584 -0.133 0.000 1.054 256 A CA -0.520 51.472 52.037 -0.075 0.000 0.724 256 A CB 1.369 20.343 19.000 -0.043 0.000 1.267 256 A HN 0.614 nan 8.150 nan 0.000 0.418 257 L N 1.329 122.411 121.223 -0.235 0.000 2.342 257 L HA 0.608 4.948 4.340 -0.000 0.000 0.271 257 L C -1.022 175.711 176.870 -0.230 0.000 1.008 257 L CA -0.875 53.783 54.840 -0.303 0.000 0.818 257 L CB 2.114 43.822 42.059 -0.585 0.000 1.296 257 L HN 0.556 nan 8.230 nan 0.000 0.427 258 D N 1.670 121.958 120.400 -0.186 0.000 2.787 258 D HA 0.673 5.312 4.640 -0.000 0.000 0.246 258 D C -1.000 175.217 176.300 -0.138 0.000 1.150 258 D CA -0.155 53.759 54.000 -0.143 0.000 0.864 258 D CB 2.466 43.212 40.800 -0.090 0.000 1.481 258 D HN 0.591 nan 8.370 nan 0.000 0.509 259 A N 1.561 124.292 122.820 -0.149 0.000 2.393 259 A HA 0.788 5.107 4.320 -0.000 0.000 0.306 259 A C -0.554 176.948 177.584 -0.136 0.000 1.050 259 A CA -0.510 51.454 52.037 -0.120 0.000 0.724 259 A CB 1.694 20.610 19.000 -0.140 0.000 1.248 259 A HN 0.346 nan 8.150 nan 0.000 0.424 260 T N 2.409 116.904 114.554 -0.098 0.000 2.912 260 T HA 0.510 4.859 4.350 -0.000 0.000 0.299 260 T C -0.801 173.777 174.700 -0.203 0.000 1.052 260 T CA -0.371 61.601 62.100 -0.212 0.000 0.996 260 T CB 1.116 69.789 68.868 -0.324 0.000 1.070 260 T HN 0.462 nan 8.240 nan 0.000 0.465 261 I N 2.833 123.239 120.570 -0.273 0.000 2.377 261 I HA 0.446 4.615 4.170 -0.000 0.000 0.293 261 I C -1.009 174.918 176.117 -0.317 0.000 0.987 261 I CA -0.937 60.282 61.300 -0.135 0.000 1.185 261 I CB 1.147 39.159 38.000 0.020 0.000 1.341 261 I HN 0.669 nan 8.210 nan 0.000 0.455 262 Y N 5.897 126.174 120.300 -0.038 0.000 2.376 262 Y HA 0.513 5.062 4.550 -0.000 0.000 0.340 262 Y C -0.170 175.712 175.900 -0.031 0.000 0.965 262 Y CA -0.729 57.349 58.100 -0.036 0.000 1.078 262 Y CB 1.808 40.237 38.460 -0.052 0.000 1.193 262 Y HN 0.254 nan 8.280 nan 0.000 0.452 263 L N 5.330 126.626 121.223 0.121 0.000 2.287 263 L HA 0.498 4.838 4.340 -0.000 0.000 0.287 263 L C -0.834 176.074 176.870 0.063 0.000 1.022 263 L CA -0.698 54.182 54.840 0.068 0.000 0.814 263 L CB 0.877 42.959 42.059 0.038 0.000 1.217 263 L HN 0.488 nan 8.230 nan 0.000 0.420 264 I N 2.172 122.767 120.570 0.042 0.000 2.437 264 I HA 0.421 4.591 4.170 -0.000 0.000 0.298 264 I C 0.891 177.024 176.117 0.026 0.000 0.984 264 I CA -0.250 61.065 61.300 0.025 0.000 1.214 264 I CB 1.408 39.407 38.000 -0.002 0.000 1.365 264 I HN 0.530 nan 8.210 nan 0.000 0.469 265 G N 2.805 111.623 108.800 0.029 0.000 2.562 265 G HA2 0.212 4.172 3.960 -0.000 0.000 0.275 265 G HA3 0.212 4.172 3.960 -0.000 0.000 0.275 265 G C 0.340 175.295 174.900 0.091 0.000 1.196 265 G CA -0.372 44.766 45.100 0.063 0.000 0.908 265 G HN 0.614 nan 8.290 nan 0.000 0.524 266 F N 0.653 120.585 119.950 -0.030 0.000 2.250 266 F HA -0.141 4.386 4.527 -0.000 0.000 0.301 266 F C 2.133 177.854 175.800 -0.132 0.000 1.077 266 F CA 1.952 59.866 58.000 -0.144 0.000 1.348 266 F CB 0.255 39.054 39.000 -0.335 0.000 1.040 266 F HN 0.445 nan 8.300 nan 0.000 0.509 267 D N -1.122 119.294 120.400 0.025 0.000 2.328 267 D HA 0.171 4.810 4.640 -0.000 0.000 0.221 267 D C 1.810 178.095 176.300 -0.025 0.000 1.072 267 D CA 0.715 54.723 54.000 0.014 0.000 0.850 267 D CB -0.390 40.574 40.800 0.273 0.000 0.922 267 D HN 0.384 nan 8.370 nan 0.000 0.516 268 G N 0.135 108.900 108.800 -0.058 0.000 2.225 268 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.254 268 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.254 268 G C 0.573 175.460 174.900 -0.020 0.000 0.988 268 G CA 0.562 45.630 45.100 -0.055 0.000 0.625 268 G HN 0.835 nan 8.290 nan 0.000 0.527 269 T N -0.651 113.912 114.554 0.015 0.000 2.868 269 T HA 0.541 4.890 4.350 -0.000 0.000 0.292 269 T C 0.406 175.118 174.700 0.020 0.000 1.028 269 T CA 0.658 62.772 62.100 0.023 0.000 1.059 269 T CB 1.536 70.436 68.868 0.053 0.000 0.991 269 T HN 0.338 nan 8.240 nan 0.000 0.531 270 T N 2.523 117.094 114.554 0.027 0.000 2.794 270 T HA 0.310 4.660 4.350 -0.000 0.000 0.296 270 T C 1.270 175.998 174.700 0.047 0.000 0.949 270 T CA -0.691 61.442 62.100 0.054 0.000 1.101 270 T CB 1.004 69.930 68.868 0.096 0.000 0.905 270 T HN 0.549 nan 8.240 nan 0.000 0.516 271 V N 3.937 123.874 119.914 0.039 0.000 2.949 271 V HA 0.362 4.482 4.120 -0.000 0.000 0.245 271 V C 0.596 176.701 176.094 0.019 0.000 1.086 271 V CA 0.684 62.992 62.300 0.012 0.000 1.097 271 V CB 0.042 31.857 31.823 -0.013 0.000 0.762 271 V HN 0.737 nan 8.190 nan 0.000 0.470 272 I N 0.228 120.819 120.570 0.035 0.000 2.692 272 I HA 0.390 4.560 4.170 -0.000 0.000 0.293 272 I C -0.703 175.408 176.117 -0.010 0.000 1.200 272 I CA -0.205 61.103 61.300 0.012 0.000 1.036 272 I CB 2.638 40.640 38.000 0.003 0.000 1.258 272 I HN 0.173 nan 8.210 nan 0.000 0.421 273 T N 2.850 117.361 114.554 -0.071 0.000 2.876 273 T HA 0.743 5.093 4.350 -0.000 0.000 0.289 273 T C -0.678 173.899 174.700 -0.205 0.000 1.014 273 T CA -0.865 61.095 62.100 -0.233 0.000 0.986 273 T CB 2.202 70.919 68.868 -0.252 0.000 1.021 273 T HN 0.383 nan 8.240 nan 0.000 0.458 274 R N 1.259 121.598 120.500 -0.268 0.000 2.564 274 R HA 0.725 5.064 4.340 -0.000 0.000 0.284 274 R C -0.618 175.555 176.300 -0.212 0.000 1.031 274 R CA -0.732 55.261 56.100 -0.178 0.000 0.904 274 R CB 1.803 32.041 30.300 -0.103 0.000 1.199 274 R HN 1.018 nan 8.270 nan 0.000 0.443 275 A N 2.042 124.758 122.820 -0.174 0.000 2.401 275 A HA 0.405 4.724 4.320 -0.000 0.000 0.259 275 A C 0.667 178.134 177.584 -0.196 0.000 1.103 275 A CA -0.267 51.663 52.037 -0.177 0.000 0.789 275 A CB 0.647 19.563 19.000 -0.139 0.000 1.035 275 A HN 0.463 nan 8.150 nan 0.000 0.491 276 V N 1.257 121.020 119.914 -0.251 0.000 3.484 276 V HA 0.428 4.548 4.120 -0.000 0.000 0.252 276 V C 0.876 176.774 176.094 -0.327 0.000 1.282 276 V CA 1.320 63.395 62.300 -0.374 0.000 1.104 276 V CB 0.237 31.684 31.823 -0.626 0.000 0.868 276 V HN 1.146 nan 8.190 nan 0.000 0.457 277 A N -0.607 122.062 122.820 -0.251 0.000 2.488 277 A HA 0.773 5.093 4.320 -0.000 0.000 0.298 277 A C -0.711 176.772 177.584 -0.169 0.000 1.044 277 A CA -0.233 51.676 52.037 -0.213 0.000 0.693 277 A CB 2.004 20.858 19.000 -0.243 0.000 1.272 277 A HN 0.041 nan 8.150 nan 0.000 0.402 278 S N 2.051 117.666 115.700 -0.141 0.000 2.779 278 S HA 0.476 4.946 4.470 -0.000 0.000 0.293 278 S C -0.257 174.284 174.600 -0.100 0.000 1.150 278 S CA 0.116 58.250 58.200 -0.111 0.000 1.057 278 S CB 0.507 63.652 63.200 -0.091 0.000 1.021 278 S HN 1.086 nan 8.310 nan 0.000 0.485 279 D N 3.333 123.675 120.400 -0.096 0.000 2.708 279 D HA -0.207 4.433 4.640 -0.000 0.000 0.236 279 D C -0.466 175.777 176.300 -0.096 0.000 1.146 279 D CA 0.463 54.414 54.000 -0.082 0.000 0.662 279 D CB -0.761 40.005 40.800 -0.055 0.000 1.059 279 D HN 0.651 nan 8.370 nan 0.000 0.428 280 N N 0.471 119.088 118.700 -0.137 0.000 2.402 280 N HA 0.278 5.018 4.740 -0.000 0.000 0.252 280 N C 0.198 175.614 175.510 -0.156 0.000 1.118 280 N CA 0.425 53.384 53.050 -0.151 0.000 0.945 280 N CB 0.831 39.194 38.487 -0.207 0.000 1.147 280 N HN 0.288 nan 8.380 nan 0.000 0.495 281 G N 3.312 112.051 108.800 -0.103 0.000 2.432 281 G HA2 0.371 4.331 3.960 -0.000 0.000 0.257 281 G HA3 0.371 4.331 3.960 -0.000 0.000 0.257 281 G C 0.101 174.949 174.900 -0.088 0.000 1.238 281 G CA -0.452 44.600 45.100 -0.080 0.000 0.838 281 G HN 0.591 nan 8.290 nan 0.000 0.547 282 L N 1.824 122.999 121.223 -0.079 0.000 2.275 282 L HA 0.332 4.672 4.340 -0.000 0.000 0.288 282 L C 0.509 177.365 176.870 -0.023 0.000 1.046 282 L CA -0.564 54.242 54.840 -0.058 0.000 0.805 282 L CB 1.522 43.549 42.059 -0.054 0.000 1.193 282 L HN 0.372 nan 8.230 nan 0.000 0.426 283 T N 1.054 115.601 114.554 -0.013 0.000 2.882 283 T HA 0.261 4.611 4.350 -0.000 0.000 0.287 283 T C 0.297 174.977 174.700 -0.032 0.000 0.992 283 T CA -0.497 61.588 62.100 -0.025 0.000 1.076 283 T CB 1.268 70.134 68.868 -0.005 0.000 0.961 283 T HN 0.519 nan 8.240 nan 0.000 0.490 284 T N 1.808 116.290 114.554 -0.119 0.000 2.918 284 T HA 0.421 4.770 4.350 -0.000 0.000 0.302 284 T C 1.389 176.062 174.700 -0.045 0.000 1.045 284 T CA 0.277 62.298 62.100 -0.132 0.000 1.114 284 T CB 0.472 69.124 68.868 -0.359 0.000 0.965 284 T HN 0.992 nan 8.240 nan 0.000 0.540 285 G N 1.548 110.337 108.800 -0.018 0.000 2.341 285 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.292 285 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.292 285 G C -0.133 174.770 174.900 0.006 0.000 1.021 285 G CA 0.630 45.717 45.100 -0.021 0.000 0.905 285 G HN 0.876 nan 8.290 nan 0.000 0.508 286 I N -1.647 118.965 120.570 0.071 0.000 3.006 286 I HA 0.357 4.527 4.170 -0.000 0.000 0.306 286 I C -1.268 174.993 176.117 0.239 0.000 1.250 286 I CA -1.218 60.146 61.300 0.106 0.000 0.996 286 I CB 1.818 39.858 38.000 0.066 0.000 1.261 286 I HN -0.072 nan 8.210 nan 0.000 0.442 287 D N 5.289 125.819 120.400 0.217 0.000 2.325 287 D HA 0.196 4.836 4.640 -0.000 0.000 0.251 287 D C -0.742 175.623 176.300 0.109 0.000 1.196 287 D CA 0.043 54.164 54.000 0.202 0.000 0.866 287 D CB 0.692 41.574 40.800 0.137 0.000 1.101 287 D HN 0.354 nan 8.370 nan 0.000 0.476 288 N N 3.029 121.786 118.700 0.095 0.000 2.426 288 N HA 0.222 4.962 4.740 -0.000 0.000 0.257 288 N C -0.146 175.418 175.510 0.091 0.000 1.002 288 N CA -0.333 52.764 53.050 0.079 0.000 0.942 288 N CB 1.778 40.311 38.487 0.078 0.000 1.112 288 N HN 0.256 nan 8.380 nan 0.000 0.499 289 L N 2.085 123.343 121.223 0.058 0.000 2.292 289 L HA 0.479 4.818 4.340 -0.000 0.000 0.284 289 L C 0.476 177.382 176.870 0.059 0.000 1.065 289 L CA -0.269 54.608 54.840 0.063 0.000 0.806 289 L CB 1.141 43.225 42.059 0.042 0.000 1.175 289 L HN 0.363 nan 8.230 nan 0.000 0.431 290 M N 6.844 126.506 119.600 0.103 0.000 1.987 290 M HA 0.395 4.875 4.480 -0.000 0.000 0.298 290 M C -2.592 173.759 176.300 0.085 0.000 0.892 290 M CA -1.603 53.734 55.300 0.061 0.000 0.885 290 M CB 1.566 34.254 32.600 0.147 0.000 1.469 290 M HN 0.223 nan 8.290 nan 0.000 0.389 291 P HA 0.299 nan 4.420 nan 0.000 0.276 291 P C -1.354 175.973 177.300 0.044 0.000 1.252 291 P CA -0.094 63.078 63.100 0.119 0.000 0.802 291 P CB 0.816 32.554 31.700 0.064 0.000 1.035 292 F N 0.822 120.779 119.950 0.012 0.000 2.467 292 F HA 0.374 4.901 4.527 -0.000 0.000 0.336 292 F C 0.931 176.738 175.800 0.011 0.000 1.123 292 F CA -0.263 57.744 58.000 0.012 0.000 0.964 292 F CB 1.386 40.399 39.000 0.023 0.000 1.136 292 F HN 0.163 nan 8.300 nan 0.000 0.447 293 N N 5.047 123.826 118.700 0.131 0.000 2.672 293 N HA 0.252 4.992 4.740 -0.000 0.000 0.295 293 N C -1.311 174.242 175.510 0.071 0.000 1.924 293 N CA -0.047 53.056 53.050 0.089 0.000 0.851 293 N CB 1.112 39.624 38.487 0.042 0.000 1.281 293 N HN 0.418 nan 8.380 nan 0.000 0.494 294 L N 0.594 121.879 121.223 0.103 0.000 2.325 294 L HA 0.631 4.971 4.340 -0.000 0.000 0.279 294 L C 0.003 176.919 176.870 0.076 0.000 1.054 294 L CA -0.890 53.996 54.840 0.076 0.000 0.804 294 L CB 1.871 43.984 42.059 0.090 0.000 1.200 294 L HN -0.220 nan 8.230 nan 0.000 0.436 295 V N 4.226 124.176 119.914 0.060 0.000 2.482 295 V HA 0.369 4.489 4.120 -0.000 0.000 0.295 295 V C -0.460 175.668 176.094 0.058 0.000 1.026 295 V CA -0.278 62.067 62.300 0.075 0.000 0.856 295 V CB 2.081 33.949 31.823 0.074 0.000 1.001 295 V HN 0.462 nan 8.190 nan 0.000 0.424 296 I N 8.747 129.355 120.570 0.064 0.000 2.330 296 I HA 0.404 4.574 4.170 -0.000 0.000 0.286 296 I C -2.042 174.109 176.117 0.058 0.000 1.025 296 I CA -1.805 59.522 61.300 0.046 0.000 1.197 296 I CB 1.859 39.880 38.000 0.035 0.000 1.358 296 I HN 0.424 nan 8.210 nan 0.000 0.467 297 P HA 0.131 nan 4.420 nan 0.000 0.274 297 P C 0.554 177.876 177.300 0.035 0.000 1.231 297 P CA -0.238 62.888 63.100 0.043 0.000 0.790 297 P CB 0.963 32.679 31.700 0.026 0.000 0.951 298 T N 1.020 115.596 114.554 0.038 0.000 2.699 298 T HA -0.172 4.178 4.350 -0.000 0.000 0.268 298 T C 1.630 176.339 174.700 0.014 0.000 1.036 298 T CA 2.045 64.162 62.100 0.028 0.000 1.147 298 T CB -0.906 67.982 68.868 0.033 0.000 0.862 298 T HN 0.633 nan 8.240 nan 0.000 0.446 299 N N 1.452 120.160 118.700 0.014 0.000 2.443 299 N HA -0.159 4.581 4.740 -0.000 0.000 0.184 299 N C 1.520 177.034 175.510 0.008 0.000 1.037 299 N CA 1.157 54.213 53.050 0.010 0.000 0.896 299 N CB -0.273 38.221 38.487 0.010 0.000 0.959 299 N HN 0.513 nan 8.380 nan 0.000 0.442 300 E N 0.013 120.217 120.200 0.007 0.000 2.318 300 E HA 0.189 4.539 4.350 -0.000 0.000 0.193 300 E C 0.053 176.650 176.600 -0.005 0.000 0.998 300 E CA -0.102 56.300 56.400 0.003 0.000 0.859 300 E CB 0.187 29.890 29.700 0.005 0.000 0.812 300 E HN 0.356 nan 8.360 nan 0.000 0.492 301 I N 1.876 122.441 120.570 -0.009 0.000 2.308 301 I HA -0.010 4.160 4.170 -0.000 0.000 0.293 301 I C 1.307 177.394 176.117 -0.050 0.000 1.078 301 I CA -0.041 61.243 61.300 -0.027 0.000 1.292 301 I CB 1.284 39.271 38.000 -0.020 0.000 1.423 301 I HN 0.082 nan 8.210 nan 0.000 0.493 302 T N 1.924 116.430 114.554 -0.079 0.000 3.067 302 T HA 0.071 4.420 4.350 -0.000 0.000 0.257 302 T C 0.438 174.961 174.700 -0.296 0.000 1.105 302 T CA 0.133 62.167 62.100 -0.109 0.000 1.104 302 T CB 0.029 68.855 68.868 -0.070 0.000 0.925 302 T HN 0.701 nan 8.240 nan 0.000 0.498 303 Q N -0.438 119.147 119.800 -0.358 0.000 2.527 303 Q HA 0.546 4.886 4.340 -0.000 0.000 0.280 303 Q C -3.469 172.401 176.000 -0.217 0.000 0.977 303 Q CA -2.418 53.035 55.803 -0.584 0.000 0.837 303 Q CB 0.653 28.624 28.738 -1.278 0.000 1.454 303 Q HN -0.105 nan 8.270 nan 0.000 0.387 304 P HA 0.007 nan 4.420 nan 0.000 0.261 304 P C -0.850 176.483 177.300 0.056 0.000 1.173 304 P CA 0.509 63.636 63.100 0.044 0.000 0.760 304 P CB 0.334 32.142 31.700 0.180 0.000 0.783 305 I N 2.841 123.438 120.570 0.044 0.000 2.365 305 I HA 0.121 4.291 4.170 -0.000 0.000 0.291 305 I C 1.364 177.525 176.117 0.072 0.000 1.004 305 I CA 0.262 61.590 61.300 0.047 0.000 1.311 305 I CB 1.142 39.158 38.000 0.027 0.000 1.401 305 I HN 0.423 nan 8.210 nan 0.000 0.491 306 T N -0.173 114.426 114.554 0.075 0.000 3.043 306 T HA 0.245 4.595 4.350 -0.000 0.000 0.272 306 T C 0.257 174.970 174.700 0.022 0.000 0.990 306 T CA -0.088 62.059 62.100 0.079 0.000 0.897 306 T CB 0.104 69.060 68.868 0.147 0.000 1.111 306 T HN 0.606 nan 8.240 nan 0.000 0.529 307 S N 0.348 116.050 115.700 0.004 0.000 2.567 307 S HA 0.709 5.179 4.470 -0.000 0.000 0.270 307 S C -1.622 172.976 174.600 -0.002 0.000 1.152 307 S CA -1.035 57.156 58.200 -0.015 0.000 0.835 307 S CB 1.807 64.999 63.200 -0.014 0.000 1.115 307 S HN 0.460 nan 8.310 nan 0.000 0.459 308 I N 1.368 121.943 120.570 0.008 0.000 2.647 308 I HA 0.724 4.893 4.170 -0.000 0.000 0.295 308 I C -1.648 174.474 176.117 0.008 0.000 1.078 308 I CA -0.769 60.553 61.300 0.037 0.000 1.048 308 I CB 1.920 39.959 38.000 0.065 0.000 1.239 308 I HN 1.058 nan 8.210 nan 0.000 0.421 309 K N 6.336 126.698 120.400 -0.063 0.000 2.502 309 K HA 0.574 4.894 4.320 -0.000 0.000 0.257 309 K C -2.175 174.249 176.600 -0.294 0.000 0.938 309 K CA -0.924 55.186 56.287 -0.296 0.000 0.819 309 K CB 2.502 34.889 32.500 -0.188 0.000 1.333 309 K HN 0.450 nan 8.250 nan 0.000 0.434 310 L N 1.170 121.995 121.223 -0.663 0.000 2.322 310 L HA 0.468 4.808 4.340 -0.000 0.000 0.281 310 L C -0.997 175.801 176.870 -0.120 0.000 1.014 310 L CA -0.020 54.641 54.840 -0.298 0.000 0.815 310 L CB 1.724 43.612 42.059 -0.284 0.000 1.247 310 L HN 0.898 nan 8.230 nan 0.000 0.421 311 E N 4.562 124.795 120.200 0.055 0.000 2.187 311 E HA 0.561 4.911 4.350 -0.000 0.000 0.268 311 E C -1.446 175.193 176.600 0.064 0.000 0.896 311 E CA -0.564 55.888 56.400 0.086 0.000 0.766 311 E CB 1.429 31.262 29.700 0.222 0.000 1.142 311 E HN 0.639 nan 8.360 nan 0.000 0.408 312 I N 3.978 124.585 120.570 0.061 0.000 2.436 312 I HA 0.297 4.467 4.170 -0.000 0.000 0.289 312 I C -0.930 175.192 176.117 0.008 0.000 1.010 312 I CA -0.991 60.323 61.300 0.023 0.000 1.098 312 I CB 1.997 40.032 38.000 0.059 0.000 1.266 312 I HN 0.246 nan 8.210 nan 0.000 0.434 313 V N 4.710 124.603 119.914 -0.036 0.000 2.384 313 V HA 0.381 4.501 4.120 -0.000 0.000 0.287 313 V C 0.083 176.146 176.094 -0.052 0.000 1.020 313 V CA -0.484 61.801 62.300 -0.024 0.000 0.850 313 V CB 1.543 33.357 31.823 -0.014 0.000 0.987 313 V HN 0.702 nan 8.190 nan 0.000 0.436 314 T N 4.263 118.805 114.554 -0.020 0.000 2.799 314 T HA 0.635 4.985 4.350 -0.000 0.000 0.286 314 T C 0.018 174.758 174.700 0.066 0.000 0.973 314 T CA -0.382 61.735 62.100 0.029 0.000 1.035 314 T CB 1.185 70.115 68.868 0.104 0.000 0.932 314 T HN 0.883 nan 8.240 nan 0.000 0.469 315 S N 2.393 118.134 115.700 0.068 0.000 2.564 315 S HA 0.691 5.161 4.470 -0.000 0.000 0.274 315 S C -1.133 173.551 174.600 0.140 0.000 1.124 315 S CA -1.184 57.066 58.200 0.084 0.000 0.869 315 S CB 2.172 65.395 63.200 0.038 0.000 1.105 315 S HN 0.604 nan 8.310 nan 0.000 0.472 316 K N 1.552 122.089 120.400 0.228 0.000 2.616 316 K HA 0.383 4.703 4.320 -0.000 0.000 0.241 316 K C 1.088 177.846 176.600 0.264 0.000 0.961 316 K CA -0.275 56.159 56.287 0.246 0.000 0.942 316 K CB 0.922 33.600 32.500 0.296 0.000 1.153 316 K HN 0.797 nan 8.250 nan 0.000 0.452 317 S N 2.214 118.004 115.700 0.150 0.000 2.434 317 S HA -0.201 4.269 4.470 -0.000 0.000 0.240 317 S C 1.325 175.979 174.600 0.089 0.000 1.052 317 S CA 1.290 59.558 58.200 0.115 0.000 1.198 317 S CB -0.750 62.488 63.200 0.064 0.000 1.124 317 S HN 0.652 nan 8.310 nan 0.000 0.426 318 G N 2.060 110.878 108.800 0.031 0.000 3.506 318 G HA2 0.546 4.506 3.960 -0.000 0.000 0.268 318 G HA3 0.546 4.506 3.960 -0.000 0.000 0.268 318 G C 0.039 174.867 174.900 -0.121 0.000 0.959 318 G CA -0.130 44.955 45.100 -0.026 0.000 1.823 318 G HN 0.751 nan 8.290 nan 0.000 0.615 319 G N 0.071 108.705 108.800 -0.277 0.000 2.454 319 G HA2 0.658 4.617 3.960 -0.000 0.000 0.329 319 G HA3 0.658 4.617 3.960 -0.000 0.000 0.329 319 G C -0.523 173.798 174.900 -0.965 0.000 1.177 319 G CA -0.662 44.041 45.100 -0.662 0.000 0.951 319 G HN 0.461 nan 8.290 nan 0.000 0.485 320 Q N -0.139 119.224 119.800 -0.727 0.000 2.451 320 Q HA 0.645 4.985 4.340 -0.000 0.000 0.281 320 Q C -0.236 175.616 176.000 -0.248 0.000 1.099 320 Q CA -1.084 54.466 55.803 -0.422 0.000 0.806 320 Q CB 2.308 30.933 28.738 -0.188 0.000 1.419 320 Q HN 0.799 nan 8.270 nan 0.000 0.427 321 A N 0.389 123.205 122.820 -0.007 0.000 2.615 321 A HA 0.295 4.615 4.320 -0.000 0.000 0.230 321 A C 1.321 178.931 177.584 0.043 0.000 1.062 321 A CA 1.454 53.556 52.037 0.109 0.000 0.758 321 A CB -0.877 18.175 19.000 0.086 0.000 0.995 321 A HN 1.288 nan 8.150 nan 0.000 0.511 322 G N 1.079 109.921 108.800 0.069 0.000 2.417 322 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.233 322 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.233 322 G C 0.132 175.053 174.900 0.035 0.000 1.103 322 G CA 0.547 45.668 45.100 0.035 0.000 0.647 322 G HN 0.968 nan 8.290 nan 0.000 0.512 323 D N 1.965 122.380 120.400 0.025 0.000 2.525 323 D HA 0.401 5.040 4.640 -0.000 0.000 0.235 323 D C 0.610 176.963 176.300 0.089 0.000 1.137 323 D CA 0.621 54.638 54.000 0.028 0.000 0.868 323 D CB 0.563 41.343 40.800 -0.034 0.000 1.180 323 D HN 0.195 nan 8.370 nan 0.000 0.465 324 Q N 2.116 121.957 119.800 0.068 0.000 2.331 324 Q HA 0.318 4.657 4.340 -0.000 0.000 0.257 324 Q C -0.180 175.878 176.000 0.096 0.000 0.957 324 Q CA -0.214 55.625 55.803 0.061 0.000 0.923 324 Q CB 1.272 30.022 28.738 0.020 0.000 1.212 324 Q HN 0.428 nan 8.270 nan 0.000 0.443 325 M N 1.882 121.554 119.600 0.121 0.000 2.188 325 M HA 0.390 4.870 4.480 -0.000 0.000 0.357 325 M C -0.226 176.153 176.300 0.132 0.000 1.204 325 M CA -0.171 55.250 55.300 0.202 0.000 1.095 325 M CB 1.392 34.180 32.600 0.315 0.000 1.604 325 M HN 0.644 nan 8.290 nan 0.000 0.464 326 S N 3.046 118.855 115.700 0.181 0.000 2.558 326 S HA 0.791 5.260 4.470 -0.000 0.000 0.277 326 S C -1.803 172.921 174.600 0.207 0.000 1.143 326 S CA -1.075 57.159 58.200 0.058 0.000 0.865 326 S CB 1.535 64.703 63.200 -0.055 0.000 1.102 326 S HN 0.952 nan 8.310 nan 0.000 0.454 327 W N -0.323 121.167 121.300 0.316 0.000 2.989 327 W HA 0.769 5.429 4.660 -0.000 0.000 0.344 327 W C -1.491 175.168 176.519 0.235 0.000 1.233 327 W CA -0.778 56.732 57.345 0.274 0.000 1.187 327 W CB 1.008 30.666 29.460 0.329 0.000 1.443 327 W HN 0.808 nan 8.180 nan 0.000 0.573 328 S N 0.526 116.614 115.700 0.647 0.000 2.513 328 S HA 0.854 5.324 4.470 -0.000 0.000 0.299 328 S C -0.929 173.937 174.600 0.443 0.000 1.087 328 S CA -0.203 58.259 58.200 0.437 0.000 1.012 328 S CB 1.392 64.756 63.200 0.273 0.000 1.044 328 S HN 0.898 nan 8.310 nan 0.000 0.485 329 A N 2.412 125.420 122.820 0.312 0.000 2.498 329 A HA 0.883 5.203 4.320 -0.000 0.000 0.298 329 A C -0.872 176.682 177.584 -0.051 0.000 1.075 329 A CA -0.577 51.404 52.037 -0.093 0.000 0.714 329 A CB 1.930 20.680 19.000 -0.416 0.000 1.299 329 A HN 0.664 nan 8.150 nan 0.000 0.407 330 S N -1.008 114.580 115.700 -0.188 0.000 2.536 330 S HA 0.915 5.385 4.470 -0.000 0.000 0.271 330 S C -0.327 174.190 174.600 -0.138 0.000 1.134 330 S CA 0.069 58.212 58.200 -0.096 0.000 0.897 330 S CB 2.070 65.236 63.200 -0.057 0.000 1.094 330 S HN 2.202 nan 8.310 nan 0.000 0.473 331 G N 0.970 109.713 108.800 -0.094 0.000 2.361 331 G HA2 0.487 4.446 3.960 -0.000 0.000 0.299 331 G HA3 0.487 4.446 3.960 -0.000 0.000 0.299 331 G C -1.707 173.125 174.900 -0.112 0.000 1.544 331 G CA -0.515 44.528 45.100 -0.095 0.000 0.860 331 G HN 0.640 nan 8.290 nan 0.000 0.610 332 S N -0.534 115.092 115.700 -0.123 0.000 2.536 332 S HA 0.815 5.285 4.470 -0.000 0.000 0.287 332 S C -0.294 174.174 174.600 -0.220 0.000 1.101 332 S CA -0.641 57.461 58.200 -0.163 0.000 0.950 332 S CB 1.386 64.516 63.200 -0.116 0.000 1.056 332 S HN 0.624 nan 8.310 nan 0.000 0.481 333 L N 1.570 122.624 121.223 -0.282 0.000 2.319 333 L HA 0.949 5.289 4.340 -0.000 0.000 0.267 333 L C -0.319 176.443 176.870 -0.181 0.000 1.011 333 L CA -1.105 53.538 54.840 -0.329 0.000 0.818 333 L CB 1.695 43.477 42.059 -0.461 0.000 1.316 333 L HN 0.701 nan 8.230 nan 0.000 0.432 334 A N 1.391 124.136 122.820 -0.124 0.000 2.353 334 A HA 0.712 5.032 4.320 -0.000 0.000 0.299 334 A C -0.931 176.644 177.584 -0.015 0.000 1.089 334 A CA -0.469 51.538 52.037 -0.049 0.000 0.736 334 A CB 1.418 20.398 19.000 -0.033 0.000 1.195 334 A HN 0.358 nan 8.150 nan 0.000 0.447 335 V N 2.554 122.493 119.914 0.041 0.000 2.350 335 V HA 0.460 4.580 4.120 -0.000 0.000 0.276 335 V C 0.180 176.318 176.094 0.075 0.000 1.028 335 V CA -0.241 62.103 62.300 0.073 0.000 0.860 335 V CB 1.165 33.063 31.823 0.125 0.000 0.990 335 V HN 0.843 nan 8.190 nan 0.000 0.453 336 T N 6.508 121.050 114.554 -0.019 0.000 2.756 336 T HA 0.514 4.864 4.350 -0.000 0.000 0.290 336 T C -0.108 174.460 174.700 -0.222 0.000 0.985 336 T CA -0.269 61.768 62.100 -0.105 0.000 0.955 336 T CB 0.693 69.484 68.868 -0.130 0.000 0.930 336 T HN 0.336 nan 8.240 nan 0.000 0.451 337 I N 4.525 125.016 120.570 -0.131 0.000 2.291 337 I HA 0.163 4.333 4.170 -0.000 0.000 0.290 337 I C 0.623 176.659 176.117 -0.134 0.000 1.050 337 I CA -0.813 60.418 61.300 -0.115 0.000 1.245 337 I CB -0.035 37.980 38.000 0.026 0.000 1.405 337 I HN 0.568 nan 8.210 nan 0.000 0.478 338 H N 5.320 124.414 119.070 0.040 0.000 3.107 338 H HA 0.047 4.603 4.556 -0.000 0.000 0.301 338 H C 1.497 176.837 175.328 0.020 0.000 0.981 338 H CA 0.994 57.058 56.048 0.026 0.000 1.443 338 H CB 0.338 30.113 29.762 0.021 0.000 1.479 338 H HN 0.942 nan 8.280 nan 0.000 0.564 339 G N 2.813 111.691 108.800 0.129 0.000 2.166 339 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.260 339 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.260 339 G C 1.564 176.512 174.900 0.081 0.000 0.986 339 G CA 0.781 45.931 45.100 0.084 0.000 0.683 339 G HN 0.870 nan 8.290 nan 0.000 0.527 340 G N 0.185 109.019 108.800 0.057 0.000 2.450 340 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.220 340 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.220 340 G C 1.303 176.225 174.900 0.037 0.000 1.130 340 G CA 1.307 46.432 45.100 0.043 0.000 0.760 340 G HN 0.521 nan 8.290 nan 0.000 0.557 341 N N -0.809 117.907 118.700 0.027 0.000 2.322 341 N HA 0.064 4.804 4.740 -0.000 0.000 0.194 341 N C -0.289 175.242 175.510 0.035 0.000 1.126 341 N CA -0.446 52.607 53.050 0.005 0.000 0.845 341 N CB -0.080 38.387 38.487 -0.033 0.000 0.976 341 N HN 0.442 nan 8.380 nan 0.000 0.475 342 Y N 2.752 123.028 120.300 -0.040 0.000 2.569 342 Y HA 0.162 4.712 4.550 -0.000 0.000 0.332 342 Y C -2.121 173.747 175.900 -0.053 0.000 1.120 342 Y CA -2.069 56.004 58.100 -0.046 0.000 1.416 342 Y CB 0.530 38.956 38.460 -0.056 0.000 1.210 342 Y HN -0.000 nan 8.280 nan 0.000 0.528 343 P HA 0.083 nan 4.420 nan 0.000 0.260 343 P C 0.489 177.711 177.300 -0.130 0.000 1.185 343 P CA 1.933 64.871 63.100 -0.271 0.000 0.763 343 P CB 0.356 31.851 31.700 -0.343 0.000 0.776 344 G N 3.106 111.911 108.800 0.008 0.000 2.259 344 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.217 344 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.217 344 G C 1.147 176.131 174.900 0.140 0.000 1.001 344 G CA 0.296 45.453 45.100 0.095 0.000 0.627 344 G HN 0.624 nan 8.290 nan 0.000 0.501 345 A N -0.276 122.615 122.820 0.119 0.000 1.929 345 A HA 0.568 4.888 4.320 -0.000 0.000 0.216 345 A C 2.248 179.908 177.584 0.127 0.000 1.176 345 A CA 1.951 54.019 52.037 0.051 0.000 0.628 345 A CB -0.180 18.844 19.000 0.041 0.000 0.816 345 A HN 0.826 nan 8.150 nan 0.000 0.444 346 L N -2.208 119.093 121.223 0.129 0.000 2.758 346 L HA 0.208 4.548 4.340 -0.000 0.000 0.234 346 L C 0.864 177.859 176.870 0.207 0.000 1.049 346 L CA -0.083 54.845 54.840 0.146 0.000 0.908 346 L CB 0.222 42.351 42.059 0.118 0.000 1.362 346 L HN 0.406 nan 8.230 nan 0.000 0.499 347 R N 1.093 121.675 120.500 0.137 0.000 2.778 347 R HA 0.575 4.915 4.340 -0.000 0.000 0.277 347 R C -2.917 173.434 176.300 0.085 0.000 0.977 347 R CA -1.739 54.421 56.100 0.100 0.000 0.950 347 R CB 1.575 31.874 30.300 -0.001 0.000 1.165 347 R HN -0.247 nan 8.270 nan 0.000 0.474 348 P HA 0.260 nan 4.420 nan 0.000 0.297 348 P C -0.878 176.520 177.300 0.163 0.000 1.307 348 P CA -0.611 62.522 63.100 0.054 0.000 0.773 348 P CB 1.091 32.791 31.700 0.000 0.000 1.265 349 V N -0.658 119.356 119.914 0.165 0.000 2.709 349 V HA 0.362 4.481 4.120 -0.000 0.000 0.308 349 V C -0.293 175.868 176.094 0.111 0.000 1.062 349 V CA -0.270 62.124 62.300 0.157 0.000 0.901 349 V CB 2.222 34.165 31.823 0.200 0.000 1.003 349 V HN 0.541 nan 8.190 nan 0.000 0.425 350 T N 6.360 120.953 114.554 0.066 0.000 2.786 350 T HA 0.607 4.957 4.350 -0.000 0.000 0.283 350 T C -0.563 174.170 174.700 0.054 0.000 0.992 350 T CA -0.275 61.875 62.100 0.085 0.000 0.954 350 T CB 0.732 69.670 68.868 0.116 0.000 0.934 350 T HN 0.331 nan 8.240 nan 0.000 0.440 351 L N 3.501 124.731 121.223 0.013 0.000 2.307 351 L HA 0.673 5.013 4.340 -0.000 0.000 0.284 351 L C -0.576 176.305 176.870 0.018 0.000 1.023 351 L CA -1.095 53.718 54.840 -0.045 0.000 0.810 351 L CB 1.713 43.712 42.059 -0.100 0.000 1.231 351 L HN 0.321 nan 8.230 nan 0.000 0.423 352 V N 2.742 122.677 119.914 0.034 0.000 2.376 352 V HA 0.576 4.695 4.120 -0.000 0.000 0.287 352 V C 0.177 176.343 176.094 0.120 0.000 1.015 352 V CA -0.480 61.887 62.300 0.112 0.000 0.834 352 V CB 1.445 33.398 31.823 0.217 0.000 1.001 352 V HN 0.858 nan 8.190 nan 0.000 0.428 353 A N 5.387 128.282 122.820 0.124 0.000 2.324 353 A HA 0.952 5.272 4.320 -0.000 0.000 0.330 353 A C -0.994 176.819 177.584 0.382 0.000 1.165 353 A CA -0.489 51.651 52.037 0.173 0.000 0.813 353 A CB 1.044 20.136 19.000 0.154 0.000 1.197 353 A HN 1.049 nan 8.150 nan 0.000 0.484 354 Y N -0.230 120.257 120.300 0.312 0.000 2.512 354 Y HA 0.790 5.340 4.550 -0.000 0.000 0.348 354 Y C -0.507 175.424 175.900 0.052 0.000 0.990 354 Y CA -0.983 57.252 58.100 0.225 0.000 1.033 354 Y CB 1.382 39.926 38.460 0.139 0.000 1.259 354 Y HN 0.870 nan 8.280 nan 0.000 0.461 355 E N 1.983 122.189 120.200 0.010 0.000 2.412 355 E HA 0.552 4.902 4.350 -0.000 0.000 0.279 355 E C -0.647 175.904 176.600 -0.081 0.000 0.984 355 E CA -1.163 55.138 56.400 -0.165 0.000 0.788 355 E CB 1.507 30.872 29.700 -0.559 0.000 1.277 355 E HN 0.664 nan 8.360 nan 0.000 0.455 356 R N -0.485 119.985 120.500 -0.049 0.000 3.776 356 R HA -0.088 4.252 4.340 -0.000 0.000 0.312 356 R C -0.716 175.597 176.300 0.021 0.000 1.181 356 R CA 0.826 56.911 56.100 -0.025 0.000 0.836 356 R CB -2.849 27.421 30.300 -0.050 0.000 1.324 356 R HN 0.435 nan 8.270 nan 0.000 0.501 357 V N 1.048 121.005 119.914 0.072 0.000 2.465 357 V HA 0.534 4.654 4.120 -0.000 0.000 0.279 357 V C 1.350 177.468 176.094 0.039 0.000 1.045 357 V CA -0.354 61.978 62.300 0.053 0.000 0.938 357 V CB 1.716 33.568 31.823 0.049 0.000 0.986 357 V HN 0.393 nan 8.190 nan 0.000 0.467 358 A N 3.965 126.795 122.820 0.016 0.000 2.584 358 A HA 0.231 4.550 4.320 -0.000 0.000 0.239 358 A C 0.832 178.428 177.584 0.019 0.000 1.043 358 A CA 0.265 52.311 52.037 0.013 0.000 0.756 358 A CB -0.400 18.603 19.000 0.005 0.000 0.963 358 A HN 0.864 nan 8.150 nan 0.000 0.511 359 T N 1.895 116.464 114.554 0.024 0.000 2.946 359 T HA 0.402 4.752 4.350 -0.000 0.000 0.311 359 T C 1.631 176.342 174.700 0.019 0.000 1.063 359 T CA 1.511 63.629 62.100 0.030 0.000 1.139 359 T CB 0.509 69.392 68.868 0.026 0.000 0.994 359 T HN 2.093 nan 8.240 nan 0.000 0.547 360 G N 2.562 111.375 108.800 0.023 0.000 2.179 360 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.260 360 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.260 360 G C 0.475 175.375 174.900 -0.000 0.000 0.977 360 G CA 0.260 45.367 45.100 0.013 0.000 0.641 360 G HN 0.794 nan 8.290 nan 0.000 0.533 361 S N -1.023 114.671 115.700 -0.009 0.000 2.608 361 S HA 0.544 5.014 4.470 -0.000 0.000 0.261 361 S C 0.459 175.030 174.600 -0.048 0.000 1.314 361 S CA -0.025 58.158 58.200 -0.029 0.000 0.992 361 S CB 1.992 65.166 63.200 -0.043 0.000 0.935 361 S HN 0.735 nan 8.310 nan 0.000 0.564 362 V N 2.070 121.949 119.914 -0.058 0.000 2.384 362 V HA 0.329 4.449 4.120 -0.000 0.000 0.287 362 V C -0.363 175.666 176.094 -0.109 0.000 1.020 362 V CA -0.620 61.638 62.300 -0.069 0.000 0.850 362 V CB 1.446 33.244 31.823 -0.043 0.000 0.987 362 V HN 0.604 nan 8.190 nan 0.000 0.436 363 V N 4.517 124.332 119.914 -0.166 0.000 2.364 363 V HA 0.315 4.435 4.120 -0.000 0.000 0.272 363 V C 0.506 176.526 176.094 -0.123 0.000 1.036 363 V CA -0.061 62.115 62.300 -0.206 0.000 0.880 363 V CB 1.728 33.313 31.823 -0.398 0.000 0.991 363 V HN 0.956 nan 8.190 nan 0.000 0.460 364 T N 5.378 119.893 114.554 -0.064 0.000 2.767 364 T HA 0.509 4.859 4.350 -0.000 0.000 0.288 364 T C -0.197 174.517 174.700 0.025 0.000 0.963 364 T CA -0.222 61.869 62.100 -0.014 0.000 1.019 364 T CB 1.335 70.197 68.868 -0.010 0.000 0.923 364 T HN 0.342 nan 8.240 nan 0.000 0.468 365 V N 2.649 122.610 119.914 0.077 0.000 2.459 365 V HA 0.835 4.954 4.120 -0.000 0.000 0.295 365 V C -0.084 176.084 176.094 0.123 0.000 1.029 365 V CA -0.841 61.541 62.300 0.137 0.000 0.874 365 V CB 1.407 33.372 31.823 0.237 0.000 0.985 365 V HN 1.059 nan 8.190 nan 0.000 0.438 366 A N 3.387 126.254 122.820 0.078 0.000 2.402 366 A HA 0.963 5.283 4.320 -0.000 0.000 0.291 366 A C -0.162 177.431 177.584 0.015 0.000 1.051 366 A CA 0.120 52.183 52.037 0.044 0.000 0.716 366 A CB 1.739 20.750 19.000 0.019 0.000 1.223 366 A HN 1.274 nan 8.150 nan 0.000 0.425 367 G N -0.348 108.465 108.800 0.021 0.000 2.663 367 G HA2 0.662 4.622 3.960 -0.000 0.000 0.299 367 G HA3 0.662 4.622 3.960 -0.000 0.000 0.299 367 G C -1.808 173.094 174.900 0.004 0.000 1.372 367 G CA -0.453 44.638 45.100 -0.016 0.000 0.781 367 G HN 1.232 nan 8.290 nan 0.000 0.491 368 V N -0.127 119.774 119.914 -0.021 0.000 2.841 368 V HA 0.745 4.864 4.120 -0.000 0.000 0.310 368 V C -0.387 175.677 176.094 -0.050 0.000 1.090 368 V CA -0.718 61.574 62.300 -0.013 0.000 0.930 368 V CB 2.045 33.854 31.823 -0.024 0.000 1.014 368 V HN 0.768 nan 8.190 nan 0.000 0.425 369 S N 3.547 119.219 115.700 -0.046 0.000 2.532 369 S HA 0.574 5.044 4.470 -0.000 0.000 0.299 369 S C -0.772 173.597 174.600 -0.385 0.000 1.105 369 S CA -0.768 57.300 58.200 -0.220 0.000 1.018 369 S CB 1.217 64.370 63.200 -0.077 0.000 1.021 369 S HN 0.747 nan 8.310 nan 0.000 0.483 370 N N 2.048 120.419 118.700 -0.549 0.000 2.372 370 N HA 0.617 5.357 4.740 -0.000 0.000 0.291 370 N C -1.429 173.719 175.510 -0.603 0.000 1.024 370 N CA -0.189 52.627 53.050 -0.390 0.000 0.873 370 N CB 1.297 39.686 38.487 -0.163 0.000 1.206 370 N HN 0.383 nan 8.380 nan 0.000 0.486 371 F N -0.106 119.855 119.950 0.017 0.000 2.603 371 F HA 0.403 4.929 4.527 -0.000 0.000 0.317 371 F C 0.535 176.337 175.800 0.003 0.000 1.066 371 F CA -0.890 57.106 58.000 -0.008 0.000 0.941 371 F CB 1.741 40.710 39.000 -0.051 0.000 1.291 371 F HN 0.123 nan 8.300 nan 0.000 0.472 372 E N 2.091 122.399 120.200 0.181 0.000 2.166 372 E HA 0.697 5.047 4.350 -0.000 0.000 0.275 372 E C -1.274 175.469 176.600 0.238 0.000 0.941 372 E CA -0.583 55.905 56.400 0.147 0.000 0.784 372 E CB 2.187 31.788 29.700 -0.165 0.000 1.115 372 E HN 0.418 nan 8.360 nan 0.000 0.399 373 L N 2.934 124.336 121.223 0.299 0.000 2.376 373 L HA 0.584 4.923 4.340 -0.000 0.000 0.258 373 L C -0.743 176.323 176.870 0.326 0.000 1.013 373 L CA -0.844 54.127 54.840 0.219 0.000 0.822 373 L CB 2.030 43.944 42.059 -0.242 0.000 1.388 373 L HN 0.427 nan 8.230 nan 0.000 0.413 374 I N 2.350 123.134 120.570 0.357 0.000 2.410 374 I HA 0.352 4.522 4.170 -0.000 0.000 0.286 374 I C -2.335 174.008 176.117 0.377 0.000 1.009 374 I CA -1.974 59.501 61.300 0.292 0.000 1.111 374 I CB 2.091 40.217 38.000 0.209 0.000 1.262 374 I HN 0.223 nan 8.210 nan 0.000 0.443 375 P HA 0.044 nan 4.420 nan 0.000 0.270 375 P C -0.902 176.416 177.300 0.031 0.000 1.223 375 P CA -0.298 62.875 63.100 0.121 0.000 0.785 375 P CB 0.313 32.033 31.700 0.034 0.000 0.923 376 N N 1.766 120.411 118.700 -0.091 0.000 2.347 376 N HA 0.137 4.877 4.740 -0.000 0.000 0.253 376 N C -2.014 173.467 175.510 -0.049 0.000 1.274 376 N CA -1.810 51.203 53.050 -0.061 0.000 0.941 376 N CB -1.398 37.028 38.487 -0.102 0.000 1.200 376 N HN 0.136 nan 8.380 nan 0.000 0.514 377 P HA -0.174 nan 4.420 nan 0.000 0.216 377 P C 1.019 178.298 177.300 -0.036 0.000 1.154 377 P CA 1.630 64.715 63.100 -0.026 0.000 0.865 377 P CB 0.186 31.874 31.700 -0.020 0.000 0.789 378 E N -0.949 119.221 120.200 -0.050 0.000 2.047 378 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 378 E C 1.767 178.331 176.600 -0.060 0.000 0.987 378 E CA 0.779 57.148 56.400 -0.051 0.000 0.799 378 E CB -1.086 28.581 29.700 -0.055 0.000 0.752 378 E HN -0.012 nan 8.360 nan 0.000 0.449 379 L N 0.033 121.201 121.223 -0.092 0.000 2.217 379 L HA 0.112 4.451 4.340 -0.000 0.000 0.211 379 L C 1.960 178.794 176.870 -0.059 0.000 1.107 379 L CA 1.654 56.433 54.840 -0.103 0.000 0.783 379 L CB -0.866 41.069 42.059 -0.207 0.000 0.919 379 L HN 0.168 nan 8.230 nan 0.000 0.442 380 A N -0.818 121.975 122.820 -0.044 0.000 2.019 380 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 380 A C 2.243 179.818 177.584 -0.015 0.000 1.164 380 A CA 1.594 53.621 52.037 -0.017 0.000 0.644 380 A CB -0.463 18.532 19.000 -0.010 0.000 0.805 380 A HN 0.485 nan 8.150 nan 0.000 0.449 381 K N -0.503 119.885 120.400 -0.020 0.000 2.283 381 K HA -0.032 4.288 4.320 -0.000 0.000 0.202 381 K C 0.655 177.248 176.600 -0.011 0.000 1.048 381 K CA 1.138 57.416 56.287 -0.015 0.000 0.948 381 K CB 0.012 32.501 32.500 -0.017 0.000 0.742 381 K HN 0.394 nan 8.250 nan 0.000 0.458 382 N N -0.297 118.396 118.700 -0.012 0.000 2.143 382 N HA 0.123 4.863 4.740 -0.000 0.000 0.222 382 N C -0.757 174.756 175.510 0.005 0.000 1.264 382 N CA 0.060 53.107 53.050 -0.005 0.000 0.897 382 N CB 1.133 39.616 38.487 -0.007 0.000 1.092 382 N HN 0.024 nan 8.380 nan 0.000 0.516 383 L N 1.711 122.938 121.223 0.007 0.000 2.319 383 L HA 0.411 4.751 4.340 -0.000 0.000 0.281 383 L C -0.427 176.455 176.870 0.020 0.000 1.005 383 L CA -0.585 54.271 54.840 0.027 0.000 0.828 383 L CB 2.215 44.302 42.059 0.048 0.000 1.227 383 L HN -0.293 nan 8.230 nan 0.000 0.415 384 V N 2.560 122.483 119.914 0.015 0.000 2.614 384 V HA 0.283 4.403 4.120 -0.000 0.000 0.291 384 V C 0.581 176.665 176.094 -0.016 0.000 1.049 384 V CA -0.215 62.084 62.300 -0.003 0.000 1.038 384 V CB 1.419 33.240 31.823 -0.004 0.000 0.980 384 V HN 0.840 nan 8.190 nan 0.000 0.481 385 T N 2.248 116.772 114.554 -0.050 0.000 2.885 385 T HA 0.823 5.173 4.350 -0.000 0.000 0.285 385 T C -0.707 173.893 174.700 -0.167 0.000 1.019 385 T CA -0.863 61.175 62.100 -0.102 0.000 1.010 385 T CB 2.298 71.105 68.868 -0.101 0.000 1.022 385 T HN 0.691 nan 8.240 nan 0.000 0.466 386 E N 0.069 120.119 120.200 -0.251 0.000 2.446 386 E HA 0.334 4.683 4.350 -0.000 0.000 0.276 386 E C -0.486 175.938 176.600 -0.294 0.000 0.969 386 E CA -0.927 55.337 56.400 -0.225 0.000 0.800 386 E CB 1.439 31.078 29.700 -0.102 0.000 1.341 386 E HN 0.665 nan 8.360 nan 0.000 0.460 387 Y N 0.775 121.034 120.300 -0.068 0.000 2.395 387 Y HA 0.178 4.728 4.550 -0.000 0.000 0.293 387 Y C 1.100 177.041 175.900 0.069 0.000 1.123 387 Y CA 1.154 59.265 58.100 0.018 0.000 1.227 387 Y CB 0.610 39.092 38.460 0.037 0.000 1.012 387 Y HN 0.710 nan 8.280 nan 0.000 0.552 388 G N 1.350 110.249 108.800 0.166 0.000 3.055 388 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.686 388 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.686 388 G C -0.532 174.483 174.900 0.191 0.000 1.087 388 G CA -0.578 44.627 45.100 0.175 0.000 0.779 388 G HN 0.475 nan 8.290 nan 0.000 0.599 389 R N 1.340 121.931 120.500 0.152 0.000 2.466 389 R HA 0.106 4.446 4.340 -0.000 0.000 0.280 389 R C -0.146 176.266 176.300 0.186 0.000 0.926 389 R CA 0.219 56.407 56.100 0.146 0.000 1.127 389 R CB 0.125 30.485 30.300 0.100 0.000 0.871 389 R HN 1.200 nan 8.270 nan 0.000 0.421 390 F N 4.345 124.317 119.950 0.037 0.000 2.420 390 F HA 0.247 4.774 4.527 -0.000 0.000 0.352 390 F C -0.688 175.125 175.800 0.022 0.000 1.108 390 F CA -1.066 56.947 58.000 0.022 0.000 1.162 390 F CB 1.083 40.088 39.000 0.008 0.000 1.118 390 F HN 0.695 nan 8.300 nan 0.000 0.510 391 D N 9.166 129.241 120.400 -0.543 0.000 2.405 391 D HA 0.238 4.878 4.640 -0.000 0.000 0.264 391 D C -1.660 174.294 176.300 -0.577 0.000 1.240 391 D CA -1.882 51.813 54.000 -0.509 0.000 0.893 391 D CB 1.291 41.982 40.800 -0.180 0.000 1.198 391 D HN 0.297 nan 8.370 nan 0.000 0.514 392 P HA -0.169 nan 4.420 nan 0.000 0.219 392 P C 1.078 178.282 177.300 -0.161 0.000 1.158 392 P CA 1.453 64.264 63.100 -0.482 0.000 0.895 392 P CB 0.285 31.759 31.700 -0.376 0.000 0.792 393 G N -1.698 107.023 108.800 -0.130 0.000 3.126 393 G HA2 0.304 4.263 3.960 -0.000 0.000 0.224 393 G HA3 0.304 4.263 3.960 -0.000 0.000 0.224 393 G C 1.595 176.521 174.900 0.042 0.000 1.142 393 G CA 0.553 45.642 45.100 -0.018 0.000 0.759 393 G HN 0.397 nan 8.290 nan 0.000 0.550 394 A N 0.969 123.790 122.820 0.001 0.000 1.892 394 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 394 A C 2.207 179.867 177.584 0.128 0.000 1.188 394 A CA 2.219 54.304 52.037 0.081 0.000 0.631 394 A CB -0.285 18.735 19.000 0.034 0.000 0.822 394 A HN 0.398 nan 8.150 nan 0.000 0.447 395 M N 0.370 119.993 119.600 0.038 0.000 2.132 395 M HA -0.085 4.395 4.480 -0.000 0.000 0.263 395 M C 1.468 177.825 176.300 0.096 0.000 1.065 395 M CA 1.778 57.097 55.300 0.031 0.000 1.122 395 M CB -0.849 31.741 32.600 -0.017 0.000 1.365 395 M HN 0.406 nan 8.290 nan 0.000 0.411 396 N N -0.872 117.886 118.700 0.097 0.000 2.120 396 N HA -0.200 4.540 4.740 -0.000 0.000 0.188 396 N C 1.741 177.320 175.510 0.114 0.000 1.024 396 N CA 1.479 54.587 53.050 0.097 0.000 0.852 396 N CB -0.724 37.816 38.487 0.088 0.000 1.003 396 N HN 0.505 nan 8.380 nan 0.000 0.424 397 Y N 1.891 122.231 120.300 0.066 0.000 2.200 397 Y HA -0.151 4.398 4.550 -0.000 0.000 0.290 397 Y C 2.323 178.298 175.900 0.126 0.000 1.137 397 Y CA 1.465 59.617 58.100 0.086 0.000 1.163 397 Y CB -0.500 38.010 38.460 0.083 0.000 0.988 397 Y HN 0.024 nan 8.280 nan 0.000 0.518 398 T N 0.186 114.866 114.554 0.210 0.000 2.708 398 T HA -0.181 4.169 4.350 -0.000 0.000 0.266 398 T C 1.786 176.562 174.700 0.127 0.000 1.037 398 T CA 1.841 64.074 62.100 0.221 0.000 1.146 398 T CB -0.169 68.899 68.868 0.333 0.000 0.865 398 T HN 0.289 nan 8.240 nan 0.000 0.435 399 K N 0.547 121.008 120.400 0.103 0.000 2.097 399 K HA -0.001 4.319 4.320 -0.000 0.000 0.206 399 K C 2.220 178.823 176.600 0.005 0.000 1.049 399 K CA 0.819 57.145 56.287 0.065 0.000 0.933 399 K CB -0.340 32.197 32.500 0.061 0.000 0.717 399 K HN 0.164 nan 8.250 nan 0.000 0.442 400 L N 1.432 122.625 121.223 -0.050 0.000 2.005 400 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 400 L C 1.947 178.750 176.870 -0.111 0.000 1.072 400 L CA 1.515 56.296 54.840 -0.099 0.000 0.744 400 L CB -0.342 41.612 42.059 -0.175 0.000 0.895 400 L HN 0.054 nan 8.230 nan 0.000 0.433 401 I N -0.161 120.309 120.570 -0.167 0.000 2.118 401 I HA -0.329 3.841 4.170 -0.000 0.000 0.241 401 I C 2.622 178.740 176.117 0.001 0.000 1.070 401 I CA 1.735 62.987 61.300 -0.080 0.000 1.327 401 I CB -1.279 36.703 38.000 -0.029 0.000 1.034 401 I HN 0.334 nan 8.210 nan 0.000 0.405 402 L N 0.729 121.966 121.223 0.023 0.000 2.131 402 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 402 L C 2.704 179.574 176.870 -0.000 0.000 1.092 402 L CA 1.642 56.497 54.840 0.024 0.000 0.759 402 L CB -0.679 41.404 42.059 0.040 0.000 0.903 402 L HN 0.358 nan 8.230 nan 0.000 0.435 403 S N -1.213 114.484 115.700 -0.006 0.000 2.453 403 S HA -0.095 4.375 4.470 -0.000 0.000 0.231 403 S C 1.441 176.033 174.600 -0.013 0.000 1.005 403 S CA 0.639 58.831 58.200 -0.012 0.000 0.949 403 S CB -0.114 63.079 63.200 -0.012 0.000 0.774 403 S HN 0.375 nan 8.310 nan 0.000 0.510 404 E N 1.000 121.194 120.200 -0.010 0.000 2.437 404 E HA 0.193 4.543 4.350 -0.000 0.000 0.195 404 E C 1.493 178.098 176.600 0.007 0.000 1.029 404 E CA -0.260 56.139 56.400 -0.002 0.000 0.948 404 E CB -0.012 29.688 29.700 -0.001 0.000 1.082 404 E HN 0.573 nan 8.360 nan 0.000 0.456 405 R N 1.279 121.777 120.500 -0.003 0.000 2.113 405 R HA -0.227 4.113 4.340 -0.000 0.000 0.244 405 R C 1.096 177.377 176.300 -0.032 0.000 1.142 405 R CA 1.787 57.879 56.100 -0.012 0.000 0.953 405 R CB 0.287 30.568 30.300 -0.032 0.000 0.860 405 R HN 0.004 nan 8.270 nan 0.000 0.438 406 E N -0.230 119.948 120.200 -0.036 0.000 2.072 406 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 406 E C 2.025 178.610 176.600 -0.024 0.000 0.985 406 E CA 1.294 57.667 56.400 -0.045 0.000 0.801 406 E CB -0.224 29.451 29.700 -0.042 0.000 0.750 406 E HN 0.313 nan 8.360 nan 0.000 0.452 407 R N 0.474 120.971 120.500 -0.004 0.000 2.115 407 R HA -0.056 4.284 4.340 -0.000 0.000 0.230 407 R C 1.695 178.017 176.300 0.037 0.000 1.111 407 R CA 1.034 57.141 56.100 0.013 0.000 0.976 407 R CB -0.122 30.188 30.300 0.016 0.000 0.870 407 R HN 0.210 nan 8.270 nan 0.000 0.445 408 L N -0.291 120.964 121.223 0.054 0.000 2.509 408 L HA 0.235 4.575 4.340 -0.000 0.000 0.222 408 L C 1.042 177.983 176.870 0.119 0.000 1.123 408 L CA 0.451 55.363 54.840 0.121 0.000 0.856 408 L CB 0.140 42.300 42.059 0.168 0.000 0.985 408 L HN 0.547 nan 8.230 nan 0.000 0.456 409 G N 1.628 110.434 108.800 0.010 0.000 2.246 409 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.273 409 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.273 409 G C 0.064 174.821 174.900 -0.238 0.000 1.055 409 G CA -0.154 44.890 45.100 -0.093 0.000 0.851 409 G HN 0.316 nan 8.290 nan 0.000 0.500 410 I N 0.639 121.100 120.570 -0.181 0.000 2.308 410 I HA 0.241 4.411 4.170 -0.000 0.000 0.293 410 I C 0.872 176.722 176.117 -0.444 0.000 1.078 410 I CA -0.073 61.078 61.300 -0.248 0.000 1.292 410 I CB 0.571 38.562 38.000 -0.014 0.000 1.423 410 I HN 0.082 nan 8.210 nan 0.000 0.493 411 K N 3.362 123.170 120.400 -0.986 0.000 2.106 411 K HA 0.399 4.719 4.320 -0.000 0.000 0.246 411 K C 1.028 177.298 176.600 -0.549 0.000 0.987 411 K CA -0.568 55.145 56.287 -0.957 0.000 0.904 411 K CB 1.250 32.804 32.500 -1.576 0.000 1.071 411 K HN 0.579 nan 8.250 nan 0.000 0.453 412 T N -3.263 111.080 114.554 -0.351 0.000 3.037 412 T HA 0.080 4.430 4.350 -0.000 0.000 0.252 412 T C 0.586 175.229 174.700 -0.095 0.000 1.073 412 T CA -0.173 61.845 62.100 -0.137 0.000 1.091 412 T CB -0.116 68.693 68.868 -0.097 0.000 0.935 412 T HN 0.370 nan 8.240 nan 0.000 0.488 413 V N -1.662 118.126 119.914 -0.211 0.000 2.623 413 V HA 0.847 4.967 4.120 -0.000 0.000 0.304 413 V C -1.928 174.090 176.094 -0.126 0.000 1.054 413 V CA -1.656 60.605 62.300 -0.064 0.000 0.882 413 V CB 1.036 32.831 31.823 -0.046 0.000 1.002 413 V HN 0.356 nan 8.190 nan 0.000 0.424 414 W N 3.058 124.286 121.300 -0.121 0.000 2.962 414 W HA 0.784 5.444 4.660 -0.000 0.000 0.341 414 W C -2.921 173.581 176.519 -0.028 0.000 1.155 414 W CA -2.538 54.764 57.345 -0.073 0.000 1.165 414 W CB 1.496 30.916 29.460 -0.066 0.000 1.435 414 W HN 0.330 nan 8.180 nan 0.000 0.546 415 P HA 0.177 nan 4.420 nan 0.000 0.282 415 P C 0.777 178.200 177.300 0.204 0.000 1.262 415 P CA 0.116 63.324 63.100 0.181 0.000 0.773 415 P CB 1.109 32.898 31.700 0.149 0.000 0.879 416 T N 2.531 117.169 114.554 0.140 0.000 2.699 416 T HA -0.235 4.115 4.350 -0.000 0.000 0.268 416 T C 1.735 176.510 174.700 0.125 0.000 1.036 416 T CA 1.462 63.635 62.100 0.122 0.000 1.147 416 T CB -0.372 68.544 68.868 0.079 0.000 0.862 416 T HN 0.475 nan 8.240 nan 0.000 0.446 417 R N 0.995 121.558 120.500 0.106 0.000 2.105 417 R HA -0.133 4.207 4.340 -0.000 0.000 0.239 417 R C 2.212 178.573 176.300 0.102 0.000 1.135 417 R CA 1.765 57.916 56.100 0.086 0.000 0.967 417 R CB -0.135 30.210 30.300 0.077 0.000 0.861 417 R HN 0.489 nan 8.270 nan 0.000 0.442 418 E N -0.844 119.451 120.200 0.159 0.000 2.107 418 E HA -0.206 4.144 4.350 -0.000 0.000 0.191 418 E C 1.629 178.349 176.600 0.200 0.000 0.982 418 E CA 0.986 57.511 56.400 0.209 0.000 0.809 418 E CB -0.145 29.737 29.700 0.304 0.000 0.756 418 E HN 0.385 nan 8.360 nan 0.000 0.459 419 Y N 1.579 121.840 120.300 -0.065 0.000 2.242 419 Y HA -0.197 4.353 4.550 -0.000 0.000 0.291 419 Y C 2.305 178.060 175.900 -0.241 0.000 1.137 419 Y CA 1.607 59.371 58.100 -0.559 0.000 1.181 419 Y CB -0.456 37.538 38.460 -0.778 0.000 0.989 419 Y HN -0.106 nan 8.280 nan 0.000 0.527 420 T N 0.270 114.719 114.554 -0.175 0.000 2.746 420 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 420 T C 1.375 176.008 174.700 -0.113 0.000 1.039 420 T CA 1.674 63.662 62.100 -0.187 0.000 1.142 420 T CB -0.308 68.530 68.868 -0.050 0.000 0.866 420 T HN 0.351 nan 8.240 nan 0.000 0.444 421 D N 0.422 120.815 120.400 -0.011 0.000 2.144 421 D HA -0.031 4.608 4.640 -0.000 0.000 0.200 421 D C 1.653 178.000 176.300 0.079 0.000 0.978 421 D CA 0.594 54.632 54.000 0.062 0.000 0.833 421 D CB -0.428 40.413 40.800 0.067 0.000 0.961 421 D HN 0.384 nan 8.370 nan 0.000 0.470 422 F N 1.699 121.569 119.950 -0.134 0.000 2.161 422 F HA -0.138 4.389 4.527 -0.000 0.000 0.300 422 F C 2.257 177.987 175.800 -0.116 0.000 1.089 422 F CA 1.300 59.237 58.000 -0.105 0.000 1.282 422 F CB 0.058 38.942 39.000 -0.193 0.000 1.010 422 F HN -0.210 nan 8.300 nan 0.000 0.485 423 R N 0.358 120.683 120.500 -0.292 0.000 2.081 423 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 423 R C 2.220 178.428 176.300 -0.155 0.000 1.131 423 R CA 1.901 57.794 56.100 -0.344 0.000 0.960 423 R CB -0.357 29.706 30.300 -0.394 0.000 0.856 423 R HN 0.436 nan 8.270 nan 0.000 0.436 424 E N -0.516 119.643 120.200 -0.070 0.000 2.028 424 E HA -0.204 4.146 4.350 -0.000 0.000 0.191 424 E C 1.634 178.237 176.600 0.006 0.000 0.988 424 E CA 1.147 57.541 56.400 -0.010 0.000 0.799 424 E CB -0.172 29.546 29.700 0.031 0.000 0.755 424 E HN 0.341 nan 8.360 nan 0.000 0.447 425 Y N -0.540 119.683 120.300 -0.127 0.000 2.556 425 Y HA -0.209 4.341 4.550 -0.000 0.000 0.290 425 Y C 1.807 177.611 175.900 -0.161 0.000 1.149 425 Y CA 1.084 59.111 58.100 -0.121 0.000 1.329 425 Y CB -0.150 38.258 38.460 -0.087 0.000 0.975 425 Y HN 0.124 nan 8.280 nan 0.000 0.561 426 F N -0.938 118.862 119.950 -0.249 0.000 2.343 426 F HA 0.009 4.536 4.527 0.000 0.000 0.286 426 F C 1.934 177.629 175.800 -0.175 0.000 1.057 426 F CA 0.880 58.710 58.000 -0.283 0.000 1.365 426 F CB -0.310 38.398 39.000 -0.486 0.000 1.114 426 F HN -0.164 nan 8.300 nan 0.000 0.545 427 M N 0.199 119.841 119.600 0.069 0.000 2.700 427 M HA -0.098 4.381 4.480 -0.000 0.000 0.249 427 M C 0.809 177.031 176.300 -0.130 0.000 1.082 427 M CA 1.321 56.612 55.300 -0.014 0.000 1.077 427 M CB -0.274 32.348 32.600 0.037 0.000 1.477 427 M HN 0.300 nan 8.290 nan 0.000 0.529 428 E N -1.162 118.936 120.200 -0.170 0.000 2.485 428 E HA 0.109 4.459 4.350 -0.000 0.000 0.213 428 E C 0.636 177.119 176.600 -0.196 0.000 0.923 428 E CA -0.223 56.072 56.400 -0.174 0.000 1.054 428 E CB 0.812 30.401 29.700 -0.184 0.000 1.077 428 E HN 0.125 nan 8.360 nan 0.000 0.509 429 V N 0.000 119.773 119.914 -0.236 0.000 2.409 429 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 429 V CA 0.000 62.175 62.300 -0.208 0.000 1.235 429 V CB 0.000 31.663 31.823 -0.267 0.000 1.184 429 V HN 0.000 nan 8.190 nan 0.000 0.556