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 2bb0_1_B DATA FIRST_RESID 3 DATA SEQUENCE KQIDTILINI GQLLTMESSG PRAGKSMQDL HVIEDAVVGI HEQKIVFAGQ DATA SEQUENCE KGAEAGYEAD EIIDCSGRLV TPGLVDPHTH LVFGGSREKE MNLKLQGISY DATA SEQUENCE LDILAQGGGI LSTVKDTRAA SEEELLQKAH FHLQRMLSYG TTTAEVKSGY DATA SEQUENCE GLEKETELKQ LRVAKKLHES QPVDLVSTFM GAHAIPPEYQ NDPDDFLDQM DATA SEQUENCE LSLLPEIKEQ ELASFADIFT ETGVFTVSQS RRYLQKAAEA GFGLKIHADE DATA SEQUENCE IDPLGGAELA GKLKAVSADH LVGTSDEGIK KLAEAGTIAV LLPGTTFYLG DATA SEQUENCE KSTYARARAM IDEGVCVSLA TDFNPGSSPT ENIQLIMSIA ALHLKMTAEE DATA SEQUENCE IWHAVTVNAA YAIGKGEEAG QLKAGRSADL VIWQAPNYMY IPYHYGVNHV DATA SEQUENCE HQVMKNGTIV VNR 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.502 176.600 -0.163 0.000 0.988 3 K CA 0.000 56.059 56.287 -0.380 0.000 0.838 3 K CB 0.000 31.935 32.500 -0.941 0.000 1.064 4 Q N 2.325 122.061 119.800 -0.107 0.000 2.381 4 Q HA 0.502 4.841 4.340 -0.002 0.000 0.263 4 Q C -0.353 175.486 176.000 -0.269 0.000 1.030 4 Q CA -0.527 55.223 55.803 -0.089 0.000 0.772 4 Q CB 1.506 30.204 28.738 -0.066 0.000 1.232 4 Q HN 0.492 nan 8.270 nan 0.000 0.476 5 I N -2.229 118.242 120.570 -0.164 0.000 2.957 5 I HA 0.508 4.676 4.170 -0.002 0.000 0.310 5 I C 0.014 176.133 176.117 0.003 0.000 1.063 5 I CA -0.928 60.177 61.300 -0.325 0.000 1.033 5 I CB 1.964 39.900 38.000 -0.107 0.000 1.230 5 I HN 0.264 nan 8.210 nan 0.000 0.447 6 D N 1.955 122.495 120.400 0.232 0.000 2.084 6 D HA -0.026 4.613 4.640 -0.002 0.000 0.194 6 D C 0.404 176.740 176.300 0.060 0.000 0.990 6 D CA 1.737 55.836 54.000 0.165 0.000 0.826 6 D CB 0.101 41.002 40.800 0.168 0.000 0.971 6 D HN 0.715 nan 8.370 nan 0.000 0.453 7 T N -0.184 114.382 114.554 0.020 0.000 2.900 7 T HA 0.619 4.967 4.350 -0.002 0.000 0.303 7 T C -0.552 174.100 174.700 -0.080 0.000 1.142 7 T CA -0.623 61.464 62.100 -0.023 0.000 1.007 7 T CB 2.720 71.569 68.868 -0.033 0.000 1.156 7 T HN -0.027 nan 8.240 nan 0.000 0.490 8 I N 2.088 122.624 120.570 -0.057 0.000 2.610 8 I HA 0.468 4.637 4.170 -0.002 0.000 0.289 8 I C -1.716 174.382 176.117 -0.032 0.000 1.163 8 I CA -1.150 60.107 61.300 -0.072 0.000 1.044 8 I CB 1.087 39.092 38.000 0.009 0.000 1.251 8 I HN 0.518 nan 8.210 nan 0.000 0.424 9 L N 8.117 129.314 121.223 -0.043 0.000 2.275 9 L HA 0.557 4.896 4.340 -0.002 0.000 0.288 9 L C -0.049 176.830 176.870 0.016 0.000 1.046 9 L CA -0.622 54.211 54.840 -0.013 0.000 0.805 9 L CB 1.284 43.329 42.059 -0.023 0.000 1.193 9 L HN 0.545 nan 8.230 nan 0.000 0.426 10 I N 0.004 120.586 120.570 0.020 0.000 3.067 10 I HA 0.540 4.708 4.170 -0.002 0.000 0.312 10 I C -0.118 176.009 176.117 0.015 0.000 1.073 10 I CA -0.884 60.432 61.300 0.027 0.000 1.016 10 I CB 1.826 39.843 38.000 0.029 0.000 1.227 10 I HN 0.570 nan 8.210 nan 0.000 0.456 11 N N 1.766 120.473 118.700 0.012 0.000 2.714 11 N HA -0.162 4.577 4.740 -0.002 0.000 0.253 11 N C -0.790 174.719 175.510 -0.003 0.000 1.024 11 N CA 0.754 53.805 53.050 0.002 0.000 0.726 11 N CB -1.378 37.107 38.487 -0.003 0.000 0.908 11 N HN 0.588 nan 8.380 nan 0.000 0.542 12 I N -0.010 120.561 120.570 0.002 0.000 2.352 12 I HA 0.123 4.292 4.170 -0.002 0.000 0.290 12 I C 1.938 178.048 176.117 -0.011 0.000 1.036 12 I CA -0.081 61.219 61.300 -0.000 0.000 1.336 12 I CB 1.170 39.173 38.000 0.006 0.000 1.407 12 I HN 0.241 nan 8.210 nan 0.000 0.497 13 G N 5.107 113.897 108.800 -0.017 0.000 2.418 13 G HA2 -0.150 3.809 3.960 -0.002 0.000 0.217 13 G HA3 -0.150 3.809 3.960 -0.002 0.000 0.217 13 G C 0.589 175.470 174.900 -0.031 0.000 1.158 13 G CA 0.511 45.595 45.100 -0.027 0.000 0.771 13 G HN 0.614 nan 8.290 nan 0.000 0.545 14 Q N -0.822 118.960 119.800 -0.029 0.000 2.268 14 Q HA 0.572 4.910 4.340 -0.002 0.000 0.266 14 Q C -1.969 173.998 176.000 -0.055 0.000 1.006 14 Q CA -0.593 55.184 55.803 -0.044 0.000 0.824 14 Q CB 2.086 30.803 28.738 -0.034 0.000 1.306 14 Q HN 0.153 nan 8.270 nan 0.000 0.424 15 L N 5.694 126.868 121.223 -0.082 0.000 2.356 15 L HA 0.580 4.919 4.340 -0.002 0.000 0.277 15 L C -1.650 175.133 176.870 -0.145 0.000 0.996 15 L CA -0.832 53.958 54.840 -0.083 0.000 0.822 15 L CB 1.261 43.292 42.059 -0.045 0.000 1.256 15 L HN 0.694 nan 8.230 nan 0.000 0.413 16 L N 4.758 125.883 121.223 -0.164 0.000 2.318 16 L HA 0.305 4.644 4.340 -0.002 0.000 0.277 16 L C 1.218 178.038 176.870 -0.083 0.000 1.008 16 L CA -0.345 54.369 54.840 -0.211 0.000 0.846 16 L CB 1.652 43.468 42.059 -0.405 0.000 1.220 16 L HN 0.687 nan 8.230 nan 0.000 0.423 17 T N -0.587 113.958 114.554 -0.014 0.000 3.035 17 T HA -0.015 4.334 4.350 -0.002 0.000 0.259 17 T C 1.245 175.990 174.700 0.075 0.000 1.078 17 T CA 0.015 62.144 62.100 0.047 0.000 1.132 17 T CB 0.085 69.005 68.868 0.088 0.000 0.900 17 T HN 0.537 nan 8.240 nan 0.000 0.480 18 M N 0.350 119.999 119.600 0.080 0.000 2.762 18 M HA -0.160 4.319 4.480 -0.002 0.000 0.190 18 M C 0.048 176.450 176.300 0.169 0.000 0.586 18 M CA 0.499 55.888 55.300 0.149 0.000 0.620 18 M CB -2.841 29.852 32.600 0.156 0.000 2.269 18 M HN 0.702 nan 8.290 nan 0.000 0.563 19 E N 1.495 121.775 120.200 0.134 0.000 2.480 19 E HA 0.274 4.622 4.350 -0.002 0.000 0.258 19 E C -0.297 176.358 176.600 0.093 0.000 0.984 19 E CA 0.443 56.906 56.400 0.105 0.000 0.930 19 E CB 0.650 30.397 29.700 0.078 0.000 0.936 19 E HN 0.391 nan 8.360 nan 0.000 0.466 20 S N 2.107 117.863 115.700 0.093 0.000 2.651 20 S HA 0.229 4.697 4.470 -0.002 0.000 0.279 20 S C -0.112 174.530 174.600 0.070 0.000 1.148 20 S CA -0.431 57.806 58.200 0.063 0.000 0.837 20 S CB 1.764 65.001 63.200 0.062 0.000 1.138 20 S HN 0.604 nan 8.310 nan 0.000 0.478 21 S N -0.702 115.018 115.700 0.033 0.000 2.539 21 S HA 0.608 5.076 4.470 -0.002 0.000 0.221 21 S C 0.580 175.202 174.600 0.037 0.000 0.987 21 S CA 0.205 58.431 58.200 0.044 0.000 0.929 21 S CB 0.160 63.368 63.200 0.014 0.000 0.832 21 S HN 1.320 nan 8.310 nan 0.000 0.492 22 G N 1.520 110.300 108.800 -0.034 0.000 2.320 22 G HA2 0.455 4.413 3.960 -0.002 0.000 0.296 22 G HA3 0.455 4.413 3.960 -0.002 0.000 0.296 22 G C -3.503 171.059 174.900 -0.563 0.000 1.306 22 G CA -0.851 44.073 45.100 -0.293 0.000 0.836 22 G HN 0.059 nan 8.290 nan 0.000 0.517 23 P HA 0.240 nan 4.420 nan 0.000 0.269 23 P C -0.711 176.416 177.300 -0.288 0.000 1.215 23 P CA 0.017 62.748 63.100 -0.616 0.000 0.780 23 P CB 0.840 32.205 31.700 -0.557 0.000 0.898 24 R N 1.296 121.684 120.500 -0.188 0.000 2.207 24 R HA 0.613 4.951 4.340 -0.002 0.000 0.334 24 R C -0.007 176.223 176.300 -0.117 0.000 1.013 24 R CA -0.465 55.530 56.100 -0.176 0.000 0.858 24 R CB 1.231 31.366 30.300 -0.275 0.000 1.094 24 R HN 0.542 nan 8.270 nan 0.000 0.457 25 A N 2.283 125.042 122.820 -0.101 0.000 2.330 25 A HA 0.785 5.103 4.320 -0.002 0.000 0.329 25 A C 0.709 178.263 177.584 -0.049 0.000 1.135 25 A CA -0.005 51.995 52.037 -0.062 0.000 0.817 25 A CB 1.102 20.069 19.000 -0.056 0.000 1.269 25 A HN 0.783 nan 8.150 nan 0.000 0.469 26 G N 1.170 109.954 108.800 -0.027 0.000 2.661 26 G HA2 -0.380 3.578 3.960 -0.002 0.000 0.327 26 G HA3 -0.380 3.578 3.960 -0.002 0.000 0.327 26 G C 1.031 175.920 174.900 -0.018 0.000 1.320 26 G CA 1.153 46.243 45.100 -0.017 0.000 0.997 26 G HN 0.947 nan 8.290 nan 0.000 0.543 27 K N 0.988 121.379 120.400 -0.016 0.000 2.160 27 K HA -0.118 4.200 4.320 -0.002 0.000 0.206 27 K C 3.015 179.602 176.600 -0.023 0.000 1.047 27 K CA 1.998 58.278 56.287 -0.011 0.000 0.930 27 K CB -0.318 32.177 32.500 -0.008 0.000 0.720 27 K HN 0.602 nan 8.250 nan 0.000 0.450 28 S N 0.772 116.440 115.700 -0.053 0.000 2.469 28 S HA -0.104 4.364 4.470 -0.002 0.000 0.238 28 S C 1.871 176.376 174.600 -0.158 0.000 0.998 28 S CA 0.867 59.010 58.200 -0.095 0.000 0.957 28 S CB -0.251 62.879 63.200 -0.118 0.000 0.764 28 S HN 0.223 nan 8.310 nan 0.000 0.514 29 M N 0.456 119.994 119.600 -0.102 0.000 2.374 29 M HA -0.009 4.470 4.480 -0.002 0.000 0.264 29 M C 2.391 178.768 176.300 0.130 0.000 1.067 29 M CA 1.292 56.556 55.300 -0.060 0.000 1.103 29 M CB -0.266 32.346 32.600 0.020 0.000 1.402 29 M HN 0.384 nan 8.290 nan 0.000 0.444 30 Q N 0.662 120.510 119.800 0.079 0.000 2.354 30 Q HA -0.052 4.286 4.340 -0.002 0.000 0.203 30 Q C 0.194 176.271 176.000 0.129 0.000 0.933 30 Q CA 0.872 56.744 55.803 0.115 0.000 0.901 30 Q CB 0.088 28.866 28.738 0.067 0.000 1.007 30 Q HN 0.193 nan 8.270 nan 0.000 0.495 31 D N 0.651 121.110 120.400 0.100 0.000 2.671 31 D HA 0.056 4.695 4.640 -0.002 0.000 0.228 31 D C -1.044 175.390 176.300 0.224 0.000 1.102 31 D CA -0.130 53.932 54.000 0.104 0.000 1.044 31 D CB -0.462 40.359 40.800 0.035 0.000 1.113 31 D HN 0.177 nan 8.370 nan 0.000 0.480 32 L N 3.152 124.497 121.223 0.204 0.000 2.319 32 L HA 0.263 4.601 4.340 -0.002 0.000 0.280 32 L C -0.634 176.259 176.870 0.038 0.000 1.099 32 L CA -0.439 54.458 54.840 0.094 0.000 0.828 32 L CB 0.866 42.785 42.059 -0.235 0.000 1.150 32 L HN 0.225 nan 8.230 nan 0.000 0.442 33 H N 4.260 123.301 119.070 -0.048 0.000 2.705 33 H HA 0.493 5.047 4.556 -0.003 0.000 0.291 33 H C -1.208 174.051 175.328 -0.114 0.000 1.085 33 H CA -0.489 55.528 56.048 -0.052 0.000 1.357 33 H CB 0.626 30.382 29.762 -0.009 0.000 1.419 33 H HN 0.422 nan 8.280 nan 0.000 0.462 34 V N 7.893 127.558 119.914 -0.416 0.000 2.398 34 V HA 0.272 4.391 4.120 -0.002 0.000 0.286 34 V C 0.264 176.108 176.094 -0.417 0.000 1.026 34 V CA -0.687 61.389 62.300 -0.373 0.000 0.868 34 V CB 1.190 32.902 31.823 -0.186 0.000 0.982 34 V HN 0.701 nan 8.190 nan 0.000 0.443 35 I N 4.300 124.670 120.570 -0.335 0.000 2.378 35 I HA 0.452 4.621 4.170 -0.002 0.000 0.291 35 I C 0.113 176.160 176.117 -0.117 0.000 0.992 35 I CA -0.407 60.757 61.300 -0.226 0.000 1.154 35 I CB 1.593 39.490 38.000 -0.171 0.000 1.315 35 I HN 0.618 nan 8.210 nan 0.000 0.448 36 E N 4.583 124.735 120.200 -0.079 0.000 2.204 36 E HA 0.187 4.535 4.350 -0.002 0.000 0.276 36 E C -0.813 175.767 176.600 -0.033 0.000 0.974 36 E CA -0.682 55.689 56.400 -0.050 0.000 0.815 36 E CB 1.226 30.902 29.700 -0.040 0.000 1.119 36 E HN 0.486 nan 8.360 nan 0.000 0.393 37 D N 1.221 121.606 120.400 -0.026 0.000 3.133 37 D HA -0.181 4.457 4.640 -0.002 0.000 0.239 37 D C -1.504 174.791 176.300 -0.008 0.000 1.136 37 D CA 0.837 54.828 54.000 -0.016 0.000 0.898 37 D CB -0.793 39.999 40.800 -0.015 0.000 0.959 37 D HN 0.557 nan 8.370 nan 0.000 0.415 38 A N 0.166 122.984 122.820 -0.003 0.000 2.347 38 A HA 0.922 5.241 4.320 -0.002 0.000 0.301 38 A C 0.044 177.649 177.584 0.035 0.000 1.163 38 A CA 0.041 52.086 52.037 0.013 0.000 0.860 38 A CB 2.028 21.031 19.000 0.004 0.000 1.367 38 A HN 1.045 nan 8.150 nan 0.000 0.461 39 V N -3.255 116.702 119.914 0.072 0.000 3.114 39 V HA 0.865 4.984 4.120 -0.002 0.000 0.308 39 V C -1.166 175.015 176.094 0.145 0.000 1.168 39 V CA -0.730 61.640 62.300 0.116 0.000 1.015 39 V CB 1.317 33.246 31.823 0.178 0.000 1.050 39 V HN 0.878 nan 8.190 nan 0.000 0.433 40 V N 1.525 121.466 119.914 0.046 0.000 2.623 40 V HA 0.840 4.958 4.120 -0.002 0.000 0.304 40 V C 0.580 176.384 176.094 -0.485 0.000 1.054 40 V CA 0.262 62.473 62.300 -0.149 0.000 0.882 40 V CB 1.751 33.510 31.823 -0.107 0.000 1.002 40 V HN 1.392 nan 8.190 nan 0.000 0.424 41 G N 4.601 112.643 108.800 -1.263 0.000 2.356 41 G HA2 0.797 4.755 3.960 -0.002 0.000 0.322 41 G HA3 0.797 4.755 3.960 -0.002 0.000 0.322 41 G C -1.025 173.440 174.900 -0.726 0.000 1.125 41 G CA -0.434 43.770 45.100 -1.493 0.000 0.885 41 G HN 0.591 nan 8.290 nan 0.000 0.467 42 I N 1.203 121.544 120.570 -0.382 0.000 2.582 42 I HA 0.409 4.578 4.170 -0.002 0.000 0.292 42 I C -0.811 175.307 176.117 0.001 0.000 1.066 42 I CA -0.768 60.431 61.300 -0.167 0.000 1.053 42 I CB 2.695 40.623 38.000 -0.120 0.000 1.241 42 I HN 0.522 nan 8.210 nan 0.000 0.421 43 H N 5.760 124.778 119.070 -0.087 0.000 2.947 43 H HA 0.232 4.787 4.556 -0.002 0.000 0.354 43 H C -0.807 174.508 175.328 -0.021 0.000 1.085 43 H CA -0.463 55.566 56.048 -0.032 0.000 1.253 43 H CB 1.749 31.516 29.762 0.009 0.000 1.757 43 H HN 0.753 nan 8.280 nan 0.000 0.523 44 E N 4.090 124.075 120.200 -0.358 0.000 2.297 44 E HA -0.305 4.044 4.350 -0.002 0.000 0.228 44 E C 0.198 176.719 176.600 -0.132 0.000 1.213 44 E CA 0.946 57.171 56.400 -0.292 0.000 0.712 44 E CB -0.799 28.675 29.700 -0.376 0.000 1.202 44 E HN 0.841 nan 8.360 nan 0.000 0.376 45 Q N -3.140 116.608 119.800 -0.086 0.000 2.324 45 Q HA -0.239 4.100 4.340 -0.002 0.000 0.200 45 Q C -0.081 175.893 176.000 -0.044 0.000 0.645 45 Q CA 1.708 57.477 55.803 -0.056 0.000 1.377 45 Q CB -0.413 28.294 28.738 -0.052 0.000 1.486 45 Q HN 0.237 nan 8.270 nan 0.000 0.796 46 K N 0.500 120.875 120.400 -0.041 0.000 2.221 46 K HA 0.477 4.795 4.320 -0.002 0.000 0.243 46 K C 0.074 176.652 176.600 -0.036 0.000 0.968 46 K CA -0.884 55.388 56.287 -0.026 0.000 0.846 46 K CB 1.162 33.656 32.500 -0.011 0.000 1.141 46 K HN -0.031 nan 8.250 nan 0.000 0.434 47 I N 2.862 123.409 120.570 -0.039 0.000 2.441 47 I HA -0.026 4.142 4.170 -0.002 0.000 0.287 47 I C 1.598 177.678 176.117 -0.060 0.000 1.049 47 I CA 0.170 61.424 61.300 -0.077 0.000 1.381 47 I CB 0.896 38.865 38.000 -0.051 0.000 1.409 47 I HN 0.452 nan 8.210 nan 0.000 0.523 48 V N 5.356 125.184 119.914 -0.144 0.000 2.788 48 V HA 0.285 4.403 4.120 -0.002 0.000 0.241 48 V C 0.134 176.256 176.094 0.046 0.000 1.083 48 V CA 0.524 62.801 62.300 -0.039 0.000 1.103 48 V CB -0.058 31.741 31.823 -0.040 0.000 0.800 48 V HN 0.601 nan 8.190 nan 0.000 0.476 49 F N -1.164 118.744 119.950 -0.069 0.000 2.668 49 F HA 0.961 5.488 4.527 -0.000 0.000 0.309 49 F C -0.792 174.972 175.800 -0.059 0.000 1.117 49 F CA -1.265 56.696 58.000 -0.065 0.000 0.951 49 F CB 1.220 40.153 39.000 -0.112 0.000 1.323 49 F HN 0.213 nan 8.300 nan 0.000 0.451 50 A N 1.600 124.571 122.820 0.252 0.000 2.579 50 A HA 0.784 5.102 4.320 -0.002 0.000 0.288 50 A C -0.565 177.109 177.584 0.149 0.000 1.079 50 A CA 0.179 52.308 52.037 0.153 0.000 0.889 50 A CB 0.429 19.458 19.000 0.049 0.000 1.439 50 A HN 2.148 nan 8.150 nan 0.000 0.399 51 G N 0.171 109.063 108.800 0.153 0.000 2.588 51 G HA2 0.484 4.442 3.960 -0.002 0.000 0.281 51 G HA3 0.484 4.442 3.960 -0.002 0.000 0.281 51 G C -0.903 174.034 174.900 0.061 0.000 1.223 51 G CA -0.506 44.651 45.100 0.096 0.000 0.871 51 G HN 0.708 nan 8.290 nan 0.000 0.492 52 Q N 0.612 120.435 119.800 0.038 0.000 2.364 52 Q HA 0.255 4.594 4.340 -0.002 0.000 0.267 52 Q C 0.455 176.455 176.000 0.001 0.000 0.999 52 Q CA -0.036 55.775 55.803 0.014 0.000 0.886 52 Q CB 0.792 29.537 28.738 0.012 0.000 1.243 52 Q HN 0.454 nan 8.270 nan 0.000 0.415 53 K N 0.903 121.303 120.400 0.000 0.000 2.550 53 K HA -0.085 4.234 4.320 -0.002 0.000 0.280 53 K C 0.583 177.166 176.600 -0.027 0.000 0.987 53 K CA 1.245 57.528 56.287 -0.006 0.000 1.048 53 K CB -0.096 32.403 32.500 -0.003 0.000 0.879 53 K HN 0.842 nan 8.250 nan 0.000 0.491 54 G N 2.169 110.940 108.800 -0.048 0.000 2.307 54 G HA2 -0.278 3.681 3.960 -0.002 0.000 0.210 54 G HA3 -0.278 3.681 3.960 -0.002 0.000 0.210 54 G C 0.859 175.680 174.900 -0.132 0.000 1.005 54 G CA 0.347 45.408 45.100 -0.065 0.000 0.634 54 G HN 0.784 nan 8.290 nan 0.000 0.496 55 A N 1.081 123.779 122.820 -0.203 0.000 2.125 55 A HA 0.208 4.526 4.320 -0.002 0.000 0.219 55 A C 1.921 179.010 177.584 -0.824 0.000 1.156 55 A CA 2.190 53.982 52.037 -0.409 0.000 0.671 55 A CB -0.331 18.445 19.000 -0.374 0.000 0.794 55 A HN 0.868 nan 8.150 nan 0.000 0.459 56 E N 0.452 120.304 120.200 -0.581 0.000 2.489 56 E HA 0.270 4.619 4.350 -0.002 0.000 0.193 56 E C 0.603 177.209 176.600 0.011 0.000 1.057 56 E CA 0.472 56.600 56.400 -0.453 0.000 0.866 56 E CB -0.839 28.841 29.700 -0.034 0.000 0.916 56 E HN 0.414 nan 8.360 nan 0.000 0.500 57 A N 0.973 123.775 122.820 -0.031 0.000 2.567 57 A HA 0.357 4.675 4.320 -0.002 0.000 0.240 57 A C 1.475 179.096 177.584 0.062 0.000 1.053 57 A CA 0.948 52.997 52.037 0.021 0.000 0.755 57 A CB -0.600 18.386 19.000 -0.023 0.000 0.978 57 A HN 0.652 nan 8.150 nan 0.000 0.507 58 G N 0.863 109.678 108.800 0.024 0.000 2.205 58 G HA2 -0.276 3.683 3.960 -0.002 0.000 0.261 58 G HA3 -0.276 3.683 3.960 -0.002 0.000 0.261 58 G C 0.074 174.913 174.900 -0.101 0.000 0.980 58 G CA 0.730 45.795 45.100 -0.058 0.000 0.632 58 G HN 0.828 nan 8.290 nan 0.000 0.533 59 Y N 1.165 121.460 120.300 -0.008 0.000 2.301 59 Y HA 0.545 5.093 4.550 -0.003 0.000 0.325 59 Y C 0.897 176.811 175.900 0.023 0.000 1.203 59 Y CA -0.316 57.801 58.100 0.029 0.000 1.255 59 Y CB 0.914 39.444 38.460 0.116 0.000 1.232 59 Y HN 0.167 nan 8.280 nan 0.000 0.501 60 E N 1.912 122.201 120.200 0.149 0.000 2.113 60 E HA 0.629 4.978 4.350 -0.002 0.000 0.273 60 E C -1.103 175.557 176.600 0.100 0.000 0.924 60 E CA -0.696 55.756 56.400 0.086 0.000 0.764 60 E CB 1.145 30.861 29.700 0.027 0.000 1.104 60 E HN 0.648 nan 8.360 nan 0.000 0.406 61 A N 3.020 125.893 122.820 0.089 0.000 2.350 61 A HA 0.338 4.656 4.320 -0.002 0.000 0.324 61 A C -0.030 177.582 177.584 0.045 0.000 1.118 61 A CA -0.664 51.414 52.037 0.068 0.000 0.783 61 A CB 0.956 19.999 19.000 0.071 0.000 1.236 61 A HN 0.555 nan 8.150 nan 0.000 0.457 62 D N 0.238 120.662 120.400 0.040 0.000 2.271 62 D HA 0.037 4.676 4.640 -0.002 0.000 0.206 62 D C 0.246 176.561 176.300 0.025 0.000 0.967 62 D CA 1.147 55.166 54.000 0.033 0.000 0.867 62 D CB 0.553 41.376 40.800 0.038 0.000 0.960 62 D HN 0.737 nan 8.370 nan 0.000 0.509 63 E N 0.697 120.910 120.200 0.022 0.000 2.283 63 E HA 0.306 4.654 4.350 -0.002 0.000 0.258 63 E C -1.338 175.268 176.600 0.010 0.000 0.893 63 E CA -0.427 55.980 56.400 0.013 0.000 0.798 63 E CB 1.374 31.077 29.700 0.006 0.000 1.242 63 E HN -0.042 nan 8.360 nan 0.000 0.414 64 I N 6.634 127.212 120.570 0.013 0.000 2.330 64 I HA 0.375 4.544 4.170 -0.002 0.000 0.289 64 I C -1.003 175.120 176.117 0.011 0.000 1.001 64 I CA -0.706 60.603 61.300 0.015 0.000 1.193 64 I CB 0.519 38.533 38.000 0.023 0.000 1.345 64 I HN 0.588 nan 8.210 nan 0.000 0.461 65 I N 7.146 127.720 120.570 0.006 0.000 2.307 65 I HA 0.200 4.368 4.170 -0.002 0.000 0.289 65 I C -0.293 175.832 176.117 0.013 0.000 1.021 65 I CA -0.500 60.805 61.300 0.009 0.000 1.224 65 I CB 1.015 39.017 38.000 0.002 0.000 1.376 65 I HN 0.509 nan 8.210 nan 0.000 0.470 66 D N 5.874 126.283 120.400 0.015 0.000 2.325 66 D HA 0.103 4.742 4.640 -0.002 0.000 0.251 66 D C 0.444 176.751 176.300 0.011 0.000 1.196 66 D CA -0.261 53.746 54.000 0.011 0.000 0.866 66 D CB 1.172 41.976 40.800 0.008 0.000 1.101 66 D HN 0.534 nan 8.370 nan 0.000 0.476 67 C N 2.103 121.406 119.300 0.006 0.000 2.613 67 C HA 0.070 4.528 4.460 -0.002 0.000 0.273 67 C C 1.221 176.192 174.990 -0.032 0.000 1.304 67 C CA -0.228 58.789 59.018 -0.000 0.000 1.702 67 C CB -1.781 25.965 27.740 0.009 0.000 1.792 67 C HN 0.768 nan 8.230 nan 0.000 0.588 68 S N 0.214 115.895 115.700 -0.031 0.000 3.486 68 S HA -0.176 4.293 4.470 -0.002 0.000 0.371 68 S C 1.277 175.846 174.600 -0.051 0.000 1.001 68 S CA 1.107 59.280 58.200 -0.045 0.000 1.164 68 S CB -1.638 61.522 63.200 -0.067 0.000 0.911 68 S HN 1.416 nan 8.310 nan 0.000 0.472 69 G N -0.249 108.529 108.800 -0.037 0.000 2.155 69 G HA2 -0.339 3.619 3.960 -0.002 0.000 0.257 69 G HA3 -0.339 3.619 3.960 -0.002 0.000 0.257 69 G C 0.091 174.967 174.900 -0.040 0.000 0.983 69 G CA 0.629 45.707 45.100 -0.038 0.000 0.676 69 G HN 0.733 nan 8.290 nan 0.000 0.528 70 R N -1.011 119.469 120.500 -0.034 0.000 2.637 70 R HA 0.570 4.909 4.340 -0.002 0.000 0.269 70 R C 0.473 176.792 176.300 0.032 0.000 1.089 70 R CA -0.753 55.340 56.100 -0.011 0.000 1.177 70 R CB 0.594 30.883 30.300 -0.018 0.000 1.091 70 R HN 0.270 nan 8.270 nan 0.000 0.540 71 L N 1.253 122.530 121.223 0.090 0.000 2.331 71 L HA 0.266 4.604 4.340 -0.002 0.000 0.278 71 L C -0.982 176.034 176.870 0.242 0.000 1.106 71 L CA 0.091 55.000 54.840 0.116 0.000 0.824 71 L CB 1.346 43.457 42.059 0.087 0.000 1.142 71 L HN 0.207 nan 8.230 nan 0.000 0.443 72 V N 4.470 124.468 119.914 0.141 0.000 2.588 72 V HA 0.763 4.881 4.120 -0.002 0.000 0.304 72 V C 0.009 176.163 176.094 0.100 0.000 1.042 72 V CA 0.040 62.428 62.300 0.147 0.000 0.877 72 V CB 1.903 33.761 31.823 0.057 0.000 0.996 72 V HN 1.018 nan 8.190 nan 0.000 0.425 73 T N 3.262 117.930 114.554 0.190 0.000 2.812 73 T HA 0.714 5.063 4.350 -0.002 0.000 0.294 73 T C -3.170 171.638 174.700 0.180 0.000 1.159 73 T CA -2.309 59.872 62.100 0.134 0.000 1.008 73 T CB 2.437 71.403 68.868 0.163 0.000 1.289 73 T HN 0.337 nan 8.240 nan 0.000 0.514 74 P HA 0.378 nan 4.420 nan 0.000 0.272 74 P C 0.410 177.830 177.300 0.200 0.000 1.240 74 P CA -0.068 63.122 63.100 0.149 0.000 0.791 74 P CB 0.049 31.835 31.700 0.143 0.000 0.978 75 G N 0.988 109.867 108.800 0.132 0.000 2.491 75 G HA2 0.260 4.219 3.960 -0.002 0.000 0.238 75 G HA3 0.260 4.219 3.960 -0.002 0.000 0.238 75 G C -0.259 174.751 174.900 0.183 0.000 1.277 75 G CA -0.467 44.708 45.100 0.126 0.000 0.851 75 G HN 0.368 nan 8.290 nan 0.000 0.573 76 L N 0.382 121.731 121.223 0.209 0.000 2.453 76 L HA 0.384 4.722 4.340 -0.002 0.000 0.261 76 L C -0.009 176.943 176.870 0.137 0.000 1.179 76 L CA -0.756 54.209 54.840 0.208 0.000 0.813 76 L CB 1.190 43.391 42.059 0.237 0.000 1.110 76 L HN 0.116 nan 8.230 nan 0.000 0.466 77 V N 0.509 120.495 119.914 0.120 0.000 2.444 77 V HA 0.227 4.345 4.120 -0.002 0.000 0.294 77 V C -0.684 175.455 176.094 0.075 0.000 1.022 77 V CA -0.526 61.828 62.300 0.090 0.000 0.850 77 V CB 1.758 33.632 31.823 0.086 0.000 0.992 77 V HN 0.611 nan 8.190 nan 0.000 0.426 78 D N 7.134 127.576 120.400 0.069 0.000 2.473 78 D HA 0.344 4.982 4.640 -0.002 0.000 0.226 78 D C -1.636 174.702 176.300 0.063 0.000 1.089 78 D CA -1.993 52.047 54.000 0.066 0.000 0.883 78 D CB 2.051 42.894 40.800 0.072 0.000 1.029 78 D HN 0.289 nan 8.370 nan 0.000 0.517 79 P HA -0.010 nan 4.420 nan 0.000 0.253 79 P C -0.586 176.748 177.300 0.057 0.000 1.281 79 P CA 0.226 63.343 63.100 0.028 0.000 0.792 79 P CB -0.216 31.496 31.700 0.019 0.000 1.193 80 H N -0.656 118.391 119.070 -0.037 0.000 3.298 80 H HA 0.327 4.881 4.556 -0.002 0.000 0.328 80 H C -1.095 174.244 175.328 0.017 0.000 1.278 80 H CA -0.284 55.732 56.048 -0.054 0.000 1.609 80 H CB 0.689 30.404 29.762 -0.077 0.000 2.082 80 H HN -0.077 nan 8.280 nan 0.000 0.465 81 T N 1.182 115.837 114.554 0.168 0.000 2.864 81 T HA 0.297 4.646 4.350 -0.002 0.000 0.299 81 T C -0.660 174.074 174.700 0.056 0.000 1.166 81 T CA -0.897 61.362 62.100 0.266 0.000 1.007 81 T CB 1.890 70.936 68.868 0.297 0.000 1.219 81 T HN 0.699 nan 8.240 nan 0.000 0.506 82 H N 2.009 121.165 119.070 0.144 0.000 2.534 82 H HA 0.318 4.873 4.556 -0.002 0.000 0.250 82 H C 1.290 176.778 175.328 0.267 0.000 1.256 82 H CA -0.353 55.759 56.048 0.107 0.000 1.000 82 H CB 0.593 30.386 29.762 0.052 0.000 1.801 82 H HN 0.463 nan 8.280 nan 0.000 0.569 83 L N 0.703 122.153 121.223 0.379 0.000 2.011 83 L HA -0.183 4.155 4.340 -0.002 0.000 0.225 83 L C 0.398 177.504 176.870 0.393 0.000 1.084 83 L CA 1.505 56.619 54.840 0.457 0.000 0.791 83 L CB 0.059 42.316 42.059 0.331 0.000 0.898 83 L HN 0.105 nan 8.230 nan 0.000 0.440 84 V N 1.397 121.489 119.914 0.297 0.000 2.415 84 V HA 0.087 4.206 4.120 -0.002 0.000 0.267 84 V C -0.278 176.044 176.094 0.379 0.000 1.042 84 V CA 0.118 62.544 62.300 0.210 0.000 1.000 84 V CB -0.433 31.491 31.823 0.169 0.000 1.015 84 V HN 0.335 nan 8.190 nan 0.000 0.478 85 F N 2.376 122.445 119.950 0.197 0.000 2.693 85 F HA 0.860 5.386 4.527 -0.002 0.000 0.309 85 F C 0.054 175.879 175.800 0.042 0.000 1.129 85 F CA -1.004 57.064 58.000 0.113 0.000 0.948 85 F CB 1.148 40.113 39.000 -0.059 0.000 1.315 85 F HN 0.532 nan 8.300 nan 0.000 0.447 86 G N 0.352 109.271 108.800 0.198 0.000 2.434 86 G HA2 0.621 4.579 3.960 -0.002 0.000 0.330 86 G HA3 0.621 4.579 3.960 -0.002 0.000 0.330 86 G C 0.144 175.159 174.900 0.191 0.000 1.155 86 G CA -0.368 44.801 45.100 0.116 0.000 0.917 86 G HN 1.868 nan 8.290 nan 0.000 0.493 87 G N -0.131 108.750 108.800 0.135 0.000 2.633 87 G HA2 0.264 4.223 3.960 -0.002 0.000 0.263 87 G HA3 0.264 4.223 3.960 -0.002 0.000 0.263 87 G C 0.269 175.300 174.900 0.218 0.000 1.310 87 G CA 0.785 45.962 45.100 0.128 0.000 0.914 87 G HN 2.293 nan 8.290 nan 0.000 0.569 88 S N -1.789 113.978 115.700 0.110 0.000 2.596 88 S HA 0.761 5.230 4.470 -0.002 0.000 0.270 88 S C -0.031 174.565 174.600 -0.007 0.000 1.155 88 S CA -0.583 57.661 58.200 0.074 0.000 0.827 88 S CB 2.160 65.443 63.200 0.137 0.000 1.130 88 S HN 0.933 nan 8.310 nan 0.000 0.467 89 R N 1.025 121.498 120.500 -0.045 0.000 2.609 89 R HA 0.153 4.492 4.340 -0.002 0.000 0.326 89 R C 1.228 177.536 176.300 0.014 0.000 1.090 89 R CA -0.029 56.051 56.100 -0.033 0.000 1.072 89 R CB 0.065 30.326 30.300 -0.066 0.000 1.330 89 R HN 0.895 nan 8.270 nan 0.000 0.572 90 E N 1.385 121.605 120.200 0.034 0.000 2.160 90 E HA -0.204 4.145 4.350 -0.002 0.000 0.195 90 E C 0.709 177.326 176.600 0.028 0.000 0.991 90 E CA 1.208 57.637 56.400 0.049 0.000 0.810 90 E CB -0.053 29.683 29.700 0.058 0.000 0.742 90 E HN 0.190 nan 8.360 nan 0.000 0.466 91 K N 0.446 120.854 120.400 0.014 0.000 2.555 91 K HA -0.010 4.308 4.320 -0.002 0.000 0.193 91 K C 1.502 178.099 176.600 -0.005 0.000 1.032 91 K CA 0.492 56.781 56.287 0.003 0.000 1.004 91 K CB 0.095 32.595 32.500 -0.001 0.000 0.804 91 K HN 0.214 nan 8.250 nan 0.000 0.496 92 E N 0.244 120.443 120.200 -0.002 0.000 2.474 92 E HA 0.086 4.435 4.350 -0.002 0.000 0.195 92 E C 1.462 178.055 176.600 -0.011 0.000 1.039 92 E CA -0.117 56.278 56.400 -0.009 0.000 0.881 92 E CB 0.268 29.964 29.700 -0.007 0.000 0.970 92 E HN 0.242 nan 8.360 nan 0.000 0.486 93 M N 0.341 119.936 119.600 -0.008 0.000 2.073 93 M HA -0.233 4.246 4.480 -0.002 0.000 0.258 93 M C 1.690 177.963 176.300 -0.045 0.000 1.070 93 M CA 1.707 56.988 55.300 -0.032 0.000 1.103 93 M CB -0.428 32.159 32.600 -0.021 0.000 1.321 93 M HN 0.077 nan 8.290 nan 0.000 0.405 94 N N 0.404 119.085 118.700 -0.032 0.000 2.205 94 N HA -0.104 4.634 4.740 -0.002 0.000 0.186 94 N C 1.600 177.088 175.510 -0.037 0.000 1.015 94 N CA 1.124 54.154 53.050 -0.033 0.000 0.862 94 N CB -0.313 38.160 38.487 -0.024 0.000 0.986 94 N HN 0.290 nan 8.380 nan 0.000 0.429 95 L N 0.540 121.742 121.223 -0.035 0.000 2.046 95 L HA -0.182 4.157 4.340 -0.002 0.000 0.208 95 L C 2.367 179.213 176.870 -0.040 0.000 1.077 95 L CA 1.223 56.042 54.840 -0.036 0.000 0.747 95 L CB -0.423 41.614 42.059 -0.035 0.000 0.896 95 L HN 0.226 nan 8.230 nan 0.000 0.432 96 K N 0.871 121.243 120.400 -0.046 0.000 2.057 96 K HA -0.199 4.119 4.320 -0.002 0.000 0.206 96 K C 2.227 178.783 176.600 -0.072 0.000 1.050 96 K CA 1.182 57.433 56.287 -0.060 0.000 0.935 96 K CB -0.123 32.323 32.500 -0.089 0.000 0.715 96 K HN 0.191 nan 8.250 nan 0.000 0.439 97 L N 1.118 122.297 121.223 -0.074 0.000 2.083 97 L HA -0.199 4.139 4.340 -0.002 0.000 0.209 97 L C 1.933 178.772 176.870 -0.052 0.000 1.083 97 L CA 1.472 56.270 54.840 -0.069 0.000 0.752 97 L CB -0.105 41.917 42.059 -0.061 0.000 0.899 97 L HN 0.322 nan 8.230 nan 0.000 0.433 98 Q N -0.279 119.495 119.800 -0.044 0.000 2.515 98 Q HA 0.018 4.356 4.340 -0.002 0.000 0.212 98 Q C 1.214 177.192 176.000 -0.036 0.000 0.970 98 Q CA 0.595 56.376 55.803 -0.037 0.000 0.941 98 Q CB 0.104 28.822 28.738 -0.033 0.000 0.998 98 Q HN 0.740 nan 8.270 nan 0.000 0.518 99 G N 0.848 109.624 108.800 -0.041 0.000 2.143 99 G HA2 -0.267 3.692 3.960 -0.002 0.000 0.249 99 G HA3 -0.267 3.692 3.960 -0.002 0.000 0.249 99 G C 0.082 174.963 174.900 -0.032 0.000 0.981 99 G CA -0.249 44.828 45.100 -0.037 0.000 0.665 99 G HN 0.327 nan 8.290 nan 0.000 0.528 100 I N 2.434 122.985 120.570 -0.032 0.000 2.416 100 I HA 0.322 4.490 4.170 -0.002 0.000 0.288 100 I C 1.437 177.544 176.117 -0.017 0.000 1.051 100 I CA 0.067 61.349 61.300 -0.029 0.000 1.375 100 I CB 1.185 39.164 38.000 -0.036 0.000 1.407 100 I HN 0.384 nan 8.210 nan 0.000 0.516 101 S N 5.522 121.216 115.700 -0.010 0.000 2.584 101 S HA -0.030 4.439 4.470 -0.002 0.000 0.270 101 S C 1.008 175.637 174.600 0.048 0.000 1.346 101 S CA -0.271 57.943 58.200 0.023 0.000 1.018 101 S CB 0.646 63.857 63.200 0.018 0.000 0.899 101 S HN 0.628 nan 8.310 nan 0.000 0.542 102 Y N 2.418 122.702 120.300 -0.027 0.000 2.114 102 Y HA -0.151 4.398 4.550 -0.002 0.000 0.282 102 Y C 1.790 177.685 175.900 -0.009 0.000 1.165 102 Y CA 1.986 60.080 58.100 -0.010 0.000 1.148 102 Y CB -0.461 38.009 38.460 0.017 0.000 0.972 102 Y HN 0.695 nan 8.280 nan 0.000 0.504 103 L N -0.401 120.809 121.223 -0.023 0.000 2.217 103 L HA -0.168 4.171 4.340 -0.002 0.000 0.211 103 L C 1.857 178.636 176.870 -0.152 0.000 1.107 103 L CA 1.230 55.990 54.840 -0.133 0.000 0.783 103 L CB -0.500 41.535 42.059 -0.039 0.000 0.919 103 L HN 0.161 nan 8.230 nan 0.000 0.442 104 D N 0.185 120.524 120.400 -0.101 0.000 2.183 104 D HA -0.087 4.552 4.640 -0.002 0.000 0.203 104 D C 2.275 178.504 176.300 -0.117 0.000 0.969 104 D CA 0.997 54.940 54.000 -0.095 0.000 0.842 104 D CB 0.100 40.862 40.800 -0.063 0.000 0.957 104 D HN 0.274 nan 8.370 nan 0.000 0.484 105 I N 0.245 120.731 120.570 -0.140 0.000 2.252 105 I HA -0.214 3.955 4.170 -0.002 0.000 0.245 105 I C 2.242 178.247 176.117 -0.185 0.000 1.102 105 I CA 0.459 61.672 61.300 -0.146 0.000 1.385 105 I CB -0.073 37.841 38.000 -0.144 0.000 1.064 105 I HN 0.030 nan 8.210 nan 0.000 0.414 106 L N 1.381 122.445 121.223 -0.266 0.000 2.046 106 L HA -0.118 4.220 4.340 -0.002 0.000 0.208 106 L C 2.507 179.263 176.870 -0.191 0.000 1.077 106 L CA 2.069 56.753 54.840 -0.261 0.000 0.747 106 L CB -0.730 41.129 42.059 -0.334 0.000 0.896 106 L HN 0.165 nan 8.230 nan 0.000 0.432 107 A N -1.486 121.231 122.820 -0.171 0.000 2.019 107 A HA -0.160 4.158 4.320 -0.002 0.000 0.219 107 A C 2.034 179.549 177.584 -0.115 0.000 1.164 107 A CA 1.214 53.167 52.037 -0.140 0.000 0.644 107 A CB -0.448 18.478 19.000 -0.123 0.000 0.805 107 A HN 0.568 nan 8.150 nan 0.000 0.449 108 Q N -1.339 118.395 119.800 -0.110 0.000 2.365 108 Q HA 0.185 4.524 4.340 -0.002 0.000 0.203 108 Q C 1.133 177.081 176.000 -0.088 0.000 0.929 108 Q CA 0.701 56.451 55.803 -0.089 0.000 0.948 108 Q CB 0.133 28.824 28.738 -0.078 0.000 1.043 108 Q HN 0.933 nan 8.270 nan 0.000 0.505 109 G N -0.754 107.984 108.800 -0.103 0.000 2.175 109 G HA2 -0.216 3.743 3.960 -0.002 0.000 0.244 109 G HA3 -0.216 3.743 3.960 -0.002 0.000 0.244 109 G C 0.495 175.337 174.900 -0.097 0.000 0.982 109 G CA 0.051 45.094 45.100 -0.096 0.000 0.641 109 G HN 0.592 nan 8.290 nan 0.000 0.527 110 G N -1.111 107.623 108.800 -0.110 0.000 2.782 110 G HA2 0.774 4.733 3.960 -0.002 0.000 0.201 110 G HA3 0.774 4.733 3.960 -0.002 0.000 0.201 110 G C 1.395 176.210 174.900 -0.142 0.000 1.374 110 G CA 1.186 46.221 45.100 -0.109 0.000 1.039 110 G HN 1.855 nan 8.290 nan 0.000 0.576 111 G N -0.442 108.271 108.800 -0.144 0.000 2.583 111 G HA2 -0.314 3.645 3.960 -0.002 0.000 0.292 111 G HA3 -0.314 3.645 3.960 -0.002 0.000 0.292 111 G C 1.325 176.137 174.900 -0.145 0.000 1.203 111 G CA 0.616 45.611 45.100 -0.175 0.000 0.987 111 G HN 0.924 nan 8.290 nan 0.000 0.554 112 I N 1.025 121.503 120.570 -0.153 0.000 2.194 112 I HA -0.207 3.961 4.170 -0.002 0.000 0.246 112 I C 2.842 178.918 176.117 -0.069 0.000 1.093 112 I CA 1.806 63.049 61.300 -0.096 0.000 1.355 112 I CB -0.408 37.448 38.000 -0.240 0.000 1.046 112 I HN 0.390 nan 8.210 nan 0.000 0.413 113 L N -0.406 120.755 121.223 -0.102 0.000 2.191 113 L HA -0.196 4.143 4.340 -0.002 0.000 0.212 113 L C 2.664 179.494 176.870 -0.065 0.000 1.103 113 L CA 1.097 55.892 54.840 -0.075 0.000 0.769 113 L CB -0.556 41.445 42.059 -0.097 0.000 0.908 113 L HN 0.266 nan 8.230 nan 0.000 0.438 114 S N -0.654 114.992 115.700 -0.088 0.000 2.357 114 S HA -0.158 4.311 4.470 -0.002 0.000 0.221 114 S C 1.982 176.525 174.600 -0.096 0.000 1.031 114 S CA 1.873 60.024 58.200 -0.082 0.000 0.982 114 S CB -0.107 63.040 63.200 -0.088 0.000 0.853 114 S HN 0.391 nan 8.310 nan 0.000 0.458 115 T N 1.575 116.030 114.554 -0.166 0.000 2.915 115 T HA 0.004 4.352 4.350 -0.002 0.000 0.269 115 T C 1.767 176.379 174.700 -0.148 0.000 1.071 115 T CA 1.135 63.069 62.100 -0.276 0.000 1.132 115 T CB -0.284 68.164 68.868 -0.700 0.000 0.878 115 T HN 0.238 nan 8.240 nan 0.000 0.479 116 V N 1.599 121.501 119.914 -0.020 0.000 2.343 116 V HA -0.128 3.991 4.120 -0.002 0.000 0.247 116 V C 2.693 178.821 176.094 0.057 0.000 1.051 116 V CA 1.353 63.709 62.300 0.093 0.000 1.036 116 V CB -0.425 31.455 31.823 0.095 0.000 0.654 116 V HN 0.297 nan 8.190 nan 0.000 0.451 117 K N 0.176 120.585 120.400 0.016 0.000 2.057 117 K HA -0.205 4.114 4.320 -0.002 0.000 0.207 117 K C 1.825 178.437 176.600 0.021 0.000 1.049 117 K CA 1.878 58.175 56.287 0.016 0.000 0.931 117 K CB -0.561 31.936 32.500 -0.004 0.000 0.714 117 K HN 0.487 nan 8.250 nan 0.000 0.440 118 D N -0.455 119.949 120.400 0.006 0.000 2.144 118 D HA -0.082 4.557 4.640 -0.002 0.000 0.200 118 D C 1.698 178.025 176.300 0.045 0.000 0.978 118 D CA 1.262 55.273 54.000 0.017 0.000 0.833 118 D CB -0.205 40.597 40.800 0.004 0.000 0.961 118 D HN 0.241 nan 8.370 nan 0.000 0.470 119 T N 0.703 115.294 114.554 0.061 0.000 2.904 119 T HA -0.017 4.332 4.350 -0.002 0.000 0.267 119 T C 1.983 176.746 174.700 0.105 0.000 1.059 119 T CA 0.516 62.681 62.100 0.108 0.000 1.137 119 T CB 0.153 69.134 68.868 0.187 0.000 0.879 119 T HN 0.110 nan 8.240 nan 0.000 0.467 120 R N 0.982 121.539 120.500 0.095 0.000 2.092 120 R HA 0.090 4.429 4.340 -0.002 0.000 0.231 120 R C 2.709 179.049 176.300 0.067 0.000 1.119 120 R CA 1.224 57.376 56.100 0.087 0.000 0.970 120 R CB -0.306 30.043 30.300 0.081 0.000 0.864 120 R HN 0.338 nan 8.270 nan 0.000 0.440 121 A N 1.279 124.131 122.820 0.054 0.000 1.970 121 A HA 0.183 4.502 4.320 -0.002 0.000 0.216 121 A C 1.147 178.756 177.584 0.042 0.000 1.170 121 A CA 0.646 52.709 52.037 0.042 0.000 0.645 121 A CB -0.130 18.890 19.000 0.032 0.000 0.816 121 A HN 0.325 nan 8.150 nan 0.000 0.447 122 A N 1.017 123.865 122.820 0.047 0.000 2.477 122 A HA 0.477 4.795 4.320 -0.002 0.000 0.246 122 A C 0.902 178.513 177.584 0.045 0.000 1.078 122 A CA 0.288 52.350 52.037 0.042 0.000 0.770 122 A CB -0.212 18.814 19.000 0.044 0.000 1.011 122 A HN 1.011 nan 8.150 nan 0.000 0.494 123 S N 1.186 116.909 115.700 0.037 0.000 2.593 123 S HA 0.118 4.587 4.470 -0.002 0.000 0.269 123 S C 0.920 175.546 174.600 0.043 0.000 1.334 123 S CA 0.407 58.630 58.200 0.038 0.000 1.015 123 S CB 0.898 64.117 63.200 0.031 0.000 0.912 123 S HN 0.843 nan 8.310 nan 0.000 0.541 124 E N 0.789 121.016 120.200 0.046 0.000 2.118 124 E HA -0.220 4.128 4.350 -0.002 0.000 0.195 124 E C 1.359 177.989 176.600 0.049 0.000 0.992 124 E CA 1.656 58.086 56.400 0.051 0.000 0.804 124 E CB -0.163 29.567 29.700 0.050 0.000 0.741 124 E HN 0.828 nan 8.360 nan 0.000 0.458 125 E N 0.756 120.983 120.200 0.044 0.000 2.106 125 E HA -0.157 4.192 4.350 -0.002 0.000 0.192 125 E C 1.854 178.481 176.600 0.045 0.000 0.984 125 E CA 1.337 57.765 56.400 0.046 0.000 0.806 125 E CB -0.105 29.617 29.700 0.037 0.000 0.750 125 E HN 0.389 nan 8.360 nan 0.000 0.458 126 E N 0.532 120.752 120.200 0.034 0.000 2.072 126 E HA -0.107 4.242 4.350 -0.002 0.000 0.191 126 E C 2.061 178.675 176.600 0.022 0.000 0.985 126 E CA 0.714 57.128 56.400 0.024 0.000 0.801 126 E CB -0.144 29.567 29.700 0.018 0.000 0.750 126 E HN 0.216 nan 8.360 nan 0.000 0.452 127 L N 0.582 121.822 121.223 0.027 0.000 2.083 127 L HA -0.183 4.156 4.340 -0.002 0.000 0.209 127 L C 2.531 179.417 176.870 0.027 0.000 1.083 127 L CA 0.391 55.241 54.840 0.017 0.000 0.752 127 L CB -0.332 41.750 42.059 0.039 0.000 0.899 127 L HN 0.195 nan 8.230 nan 0.000 0.433 128 L N -0.249 121.005 121.223 0.052 0.000 2.017 128 L HA -0.241 4.098 4.340 -0.002 0.000 0.208 128 L C 2.580 179.538 176.870 0.146 0.000 1.073 128 L CA 1.835 56.721 54.840 0.076 0.000 0.745 128 L CB -0.611 41.513 42.059 0.108 0.000 0.894 128 L HN 0.244 nan 8.230 nan 0.000 0.432 129 Q N -0.722 119.161 119.800 0.137 0.000 2.119 129 Q HA -0.237 4.102 4.340 -0.002 0.000 0.201 129 Q C 2.262 178.331 176.000 0.116 0.000 0.972 129 Q CA 1.515 57.407 55.803 0.148 0.000 0.847 129 Q CB -0.123 28.658 28.738 0.072 0.000 0.903 129 Q HN 0.529 nan 8.270 nan 0.000 0.433 130 K N 0.539 120.968 120.400 0.047 0.000 2.057 130 K HA -0.104 4.214 4.320 -0.002 0.000 0.206 130 K C 1.994 178.631 176.600 0.061 0.000 1.050 130 K CA 1.074 57.359 56.287 -0.002 0.000 0.935 130 K CB -0.042 32.424 32.500 -0.057 0.000 0.715 130 K HN 0.122 nan 8.250 nan 0.000 0.439 131 A N 0.673 123.536 122.820 0.072 0.000 1.930 131 A HA -0.157 4.162 4.320 -0.002 0.000 0.217 131 A C 1.887 179.547 177.584 0.127 0.000 1.175 131 A CA 1.144 53.252 52.037 0.117 0.000 0.627 131 A CB -0.714 18.308 19.000 0.037 0.000 0.815 131 A HN 0.360 nan 8.150 nan 0.000 0.443 132 H N -1.744 117.386 119.070 0.099 0.000 2.352 132 H HA -0.150 4.405 4.556 -0.002 0.000 0.299 132 H C 1.898 177.268 175.328 0.071 0.000 1.097 132 H CA 1.885 57.980 56.048 0.078 0.000 1.311 132 H CB -0.457 29.342 29.762 0.063 0.000 1.377 132 H HN 0.621 nan 8.280 nan 0.000 0.504 133 F N 1.153 121.135 119.950 0.055 0.000 2.102 133 F HA -0.238 4.287 4.527 -0.002 0.000 0.298 133 F C 2.655 178.416 175.800 -0.065 0.000 1.105 133 F CA 1.522 59.485 58.000 -0.062 0.000 1.239 133 F CB -0.200 38.684 39.000 -0.194 0.000 0.991 133 F HN 0.175 nan 8.300 nan 0.000 0.474 134 H N -0.310 118.841 119.070 0.135 0.000 2.357 134 H HA -0.106 4.448 4.556 -0.002 0.000 0.301 134 H C 2.221 177.475 175.328 -0.123 0.000 1.082 134 H CA 1.629 57.666 56.048 -0.018 0.000 1.342 134 H CB -0.745 29.152 29.762 0.226 0.000 1.389 134 H HN 0.328 nan 8.280 nan 0.000 0.511 135 L N 1.895 123.178 121.223 0.101 0.000 2.083 135 L HA -0.190 4.149 4.340 -0.002 0.000 0.209 135 L C 2.390 179.260 176.870 -0.000 0.000 1.083 135 L CA 1.693 56.563 54.840 0.050 0.000 0.752 135 L CB -0.546 41.550 42.059 0.062 0.000 0.899 135 L HN 0.274 nan 8.230 nan 0.000 0.433 136 Q N -0.861 118.921 119.800 -0.031 0.000 2.224 136 Q HA -0.205 4.134 4.340 -0.002 0.000 0.203 136 Q C 2.248 178.177 176.000 -0.119 0.000 0.970 136 Q CA 1.757 57.520 55.803 -0.066 0.000 0.865 136 Q CB -0.717 27.974 28.738 -0.079 0.000 0.922 136 Q HN 0.506 nan 8.270 nan 0.000 0.445 137 R N 0.026 120.412 120.500 -0.191 0.000 2.090 137 R HA 0.048 4.386 4.340 -0.002 0.000 0.228 137 R C 2.057 178.390 176.300 0.055 0.000 1.110 137 R CA 1.328 57.356 56.100 -0.119 0.000 0.973 137 R CB -0.129 30.044 30.300 -0.211 0.000 0.869 137 R HN 0.367 nan 8.270 nan 0.000 0.440 138 M N 0.577 120.162 119.600 -0.025 0.000 2.117 138 M HA -0.197 4.282 4.480 -0.002 0.000 0.262 138 M C 2.333 178.677 176.300 0.073 0.000 1.065 138 M CA 1.496 56.799 55.300 0.005 0.000 1.114 138 M CB -0.240 32.337 32.600 -0.039 0.000 1.361 138 M HN 0.277 nan 8.290 nan 0.000 0.408 139 L N 0.034 121.273 121.223 0.027 0.000 2.046 139 L HA -0.220 4.118 4.340 -0.002 0.000 0.208 139 L C 2.638 179.499 176.870 -0.015 0.000 1.077 139 L CA 2.045 56.890 54.840 0.008 0.000 0.747 139 L CB -0.422 41.628 42.059 -0.015 0.000 0.896 139 L HN 0.438 nan 8.230 nan 0.000 0.432 140 S N -1.508 114.169 115.700 -0.038 0.000 2.440 140 S HA -0.233 4.236 4.470 -0.002 0.000 0.238 140 S C 1.483 175.958 174.600 -0.208 0.000 1.010 140 S CA 0.903 59.018 58.200 -0.142 0.000 0.972 140 S CB -0.670 62.412 63.200 -0.197 0.000 0.774 140 S HN 0.562 nan 8.310 nan 0.000 0.501 141 Y N 1.614 121.885 120.300 -0.049 0.000 2.461 141 Y HA 0.430 4.978 4.550 -0.002 0.000 0.277 141 Y C 1.890 177.813 175.900 0.038 0.000 1.182 141 Y CA -0.040 58.066 58.100 0.010 0.000 1.276 141 Y CB 0.245 38.718 38.460 0.023 0.000 1.087 141 Y HN 0.454 nan 8.280 nan 0.000 0.519 142 G N -0.567 108.267 108.800 0.057 0.000 2.179 142 G HA2 -0.240 3.718 3.960 -0.002 0.000 0.220 142 G HA3 -0.240 3.718 3.960 -0.002 0.000 0.220 142 G C 0.189 175.141 174.900 0.087 0.000 0.990 142 G CA 0.020 45.128 45.100 0.012 0.000 0.646 142 G HN 0.203 nan 8.290 nan 0.000 0.517 143 T N 2.049 116.662 114.554 0.097 0.000 2.737 143 T HA 0.464 4.813 4.350 -0.002 0.000 0.296 143 T C 1.519 176.253 174.700 0.057 0.000 0.922 143 T CA 0.789 62.941 62.100 0.087 0.000 1.079 143 T CB 1.186 70.102 68.868 0.079 0.000 0.892 143 T HN 0.626 nan 8.240 nan 0.000 0.514 144 T N -0.368 114.222 114.554 0.060 0.000 3.001 144 T HA 0.211 4.560 4.350 -0.002 0.000 0.251 144 T C 0.609 175.341 174.700 0.053 0.000 1.040 144 T CA -0.181 61.945 62.100 0.043 0.000 0.985 144 T CB 0.378 69.265 68.868 0.032 0.000 1.011 144 T HN 0.476 nan 8.240 nan 0.000 0.509 145 T N 1.596 116.190 114.554 0.065 0.000 2.971 145 T HA 0.764 5.113 4.350 -0.002 0.000 0.304 145 T C -1.154 173.587 174.700 0.069 0.000 1.038 145 T CA -0.568 61.574 62.100 0.070 0.000 1.007 145 T CB 1.799 70.705 68.868 0.063 0.000 1.055 145 T HN 0.518 nan 8.240 nan 0.000 0.451 146 A N 2.026 124.889 122.820 0.071 0.000 2.587 146 A HA 0.839 5.158 4.320 -0.002 0.000 0.293 146 A C -1.196 176.418 177.584 0.050 0.000 1.087 146 A CA -0.759 51.317 52.037 0.065 0.000 0.692 146 A CB 1.719 20.766 19.000 0.079 0.000 1.291 146 A HN 0.638 nan 8.150 nan 0.000 0.407 147 E N 0.755 120.972 120.200 0.028 0.000 2.166 147 E HA 0.548 4.897 4.350 -0.002 0.000 0.275 147 E C -1.255 175.341 176.600 -0.005 0.000 0.941 147 E CA -0.398 55.992 56.400 -0.016 0.000 0.784 147 E CB 1.643 31.286 29.700 -0.094 0.000 1.115 147 E HN 0.995 nan 8.360 nan 0.000 0.399 148 V N 1.175 121.086 119.914 -0.006 0.000 2.588 148 V HA 0.623 4.742 4.120 -0.002 0.000 0.304 148 V C -0.665 175.394 176.094 -0.059 0.000 1.042 148 V CA -0.974 61.327 62.300 0.002 0.000 0.877 148 V CB 1.476 33.341 31.823 0.070 0.000 0.996 148 V HN 0.516 nan 8.190 nan 0.000 0.425 149 K N 3.065 123.366 120.400 -0.166 0.000 2.156 149 K HA 0.691 5.009 4.320 -0.002 0.000 0.254 149 K C 0.473 176.983 176.600 -0.150 0.000 0.950 149 K CA -0.312 55.832 56.287 -0.239 0.000 0.849 149 K CB 2.097 34.266 32.500 -0.552 0.000 1.100 149 K HN 0.974 nan 8.250 nan 0.000 0.434 150 S N -0.029 115.618 115.700 -0.088 0.000 2.397 150 S HA 0.584 5.053 4.470 -0.002 0.000 0.261 150 S C 1.016 175.520 174.600 -0.160 0.000 1.187 150 S CA 0.112 58.306 58.200 -0.010 0.000 1.023 150 S CB 0.446 63.723 63.200 0.129 0.000 1.103 150 S HN 0.942 nan 8.310 nan 0.000 0.474 151 G N -1.345 107.408 108.800 -0.079 0.000 2.175 151 G HA2 -0.160 3.799 3.960 -0.002 0.000 0.182 151 G HA3 -0.160 3.799 3.960 -0.002 0.000 0.182 151 G C -0.061 174.858 174.900 0.031 0.000 1.003 151 G CA 0.011 45.061 45.100 -0.085 0.000 0.666 151 G HN 0.666 nan 8.290 nan 0.000 0.506 152 Y N 0.266 120.703 120.300 0.228 0.000 2.720 152 Y HA 0.444 4.992 4.550 -0.002 0.000 0.268 152 Y C 1.914 177.899 175.900 0.142 0.000 1.142 152 Y CA 0.101 58.305 58.100 0.173 0.000 1.193 152 Y CB 1.148 39.715 38.460 0.179 0.000 1.176 152 Y HN 0.271 nan 8.280 nan 0.000 0.542 153 G N -0.641 108.322 108.800 0.272 0.000 2.907 153 G HA2 0.097 4.055 3.960 -0.002 0.000 0.200 153 G HA3 0.097 4.055 3.960 -0.002 0.000 0.200 153 G C 0.665 175.698 174.900 0.220 0.000 1.101 153 G CA -0.091 45.144 45.100 0.225 0.000 0.806 153 G HN 0.298 nan 8.290 nan 0.000 0.640 154 L N 0.695 122.077 121.223 0.266 0.000 3.843 154 L HA -0.179 4.160 4.340 -0.002 0.000 0.411 154 L C -0.132 176.978 176.870 0.399 0.000 1.205 154 L CA 0.992 56.059 54.840 0.377 0.000 0.945 154 L CB -2.252 39.922 42.059 0.190 0.000 1.929 154 L HN 0.730 nan 8.230 nan 0.000 0.934 155 E N -2.452 117.923 120.200 0.291 0.000 2.401 155 E HA 0.361 4.710 4.350 -0.002 0.000 0.280 155 E C 0.128 176.834 176.600 0.177 0.000 1.039 155 E CA -0.688 55.852 56.400 0.232 0.000 0.814 155 E CB 1.468 31.287 29.700 0.198 0.000 1.275 155 E HN 0.037 nan 8.360 nan 0.000 0.448 156 K N 0.799 121.277 120.400 0.130 0.000 1.987 156 K HA -0.300 4.019 4.320 -0.002 0.000 0.216 156 K C 1.788 178.441 176.600 0.087 0.000 1.051 156 K CA 2.445 58.784 56.287 0.088 0.000 0.942 156 K CB -0.151 32.382 32.500 0.056 0.000 0.722 156 K HN 0.557 nan 8.250 nan 0.000 0.444 157 E N 0.316 120.568 120.200 0.087 0.000 2.048 157 E HA -0.196 4.153 4.350 -0.002 0.000 0.202 157 E C 1.782 178.439 176.600 0.094 0.000 1.021 157 E CA 2.852 59.300 56.400 0.079 0.000 0.825 157 E CB -0.779 28.967 29.700 0.076 0.000 0.756 157 E HN 0.408 nan 8.360 nan 0.000 0.454 158 T N 1.068 115.692 114.554 0.117 0.000 2.777 158 T HA -0.082 4.267 4.350 -0.002 0.000 0.266 158 T C 1.551 176.344 174.700 0.155 0.000 1.040 158 T CA 1.236 63.416 62.100 0.133 0.000 1.141 158 T CB -0.249 68.707 68.868 0.146 0.000 0.868 158 T HN 0.178 nan 8.240 nan 0.000 0.444 159 E N 1.193 121.501 120.200 0.180 0.000 2.077 159 E HA -0.029 4.320 4.350 -0.002 0.000 0.193 159 E C 2.310 179.012 176.600 0.170 0.000 0.989 159 E CA 0.793 57.329 56.400 0.226 0.000 0.800 159 E CB -0.437 29.471 29.700 0.346 0.000 0.746 159 E HN 0.459 nan 8.360 nan 0.000 0.452 160 L N 0.765 122.052 121.223 0.108 0.000 2.083 160 L HA -0.167 4.172 4.340 -0.002 0.000 0.209 160 L C 2.690 179.603 176.870 0.073 0.000 1.083 160 L CA 1.156 56.032 54.840 0.059 0.000 0.752 160 L CB -0.345 41.731 42.059 0.027 0.000 0.899 160 L HN 0.088 nan 8.230 nan 0.000 0.433 161 K N 0.072 120.523 120.400 0.086 0.000 2.063 161 K HA -0.231 4.087 4.320 -0.002 0.000 0.208 161 K C 2.106 178.762 176.600 0.094 0.000 1.048 161 K CA 1.503 57.840 56.287 0.083 0.000 0.928 161 K CB 0.003 32.555 32.500 0.087 0.000 0.713 161 K HN 0.364 nan 8.250 nan 0.000 0.442 162 Q N 0.296 120.168 119.800 0.121 0.000 2.124 162 Q HA -0.124 4.214 4.340 -0.002 0.000 0.202 162 Q C 2.224 178.292 176.000 0.113 0.000 0.977 162 Q CA 1.328 57.210 55.803 0.132 0.000 0.850 162 Q CB -0.032 28.807 28.738 0.168 0.000 0.901 162 Q HN 0.369 nan 8.270 nan 0.000 0.429 163 L N 0.032 121.321 121.223 0.110 0.000 2.056 163 L HA -0.143 4.196 4.340 -0.002 0.000 0.207 163 L C 2.474 179.386 176.870 0.069 0.000 1.078 163 L CA 1.034 55.930 54.840 0.093 0.000 0.749 163 L CB -0.355 41.754 42.059 0.083 0.000 0.901 163 L HN 0.162 nan 8.230 nan 0.000 0.433 164 R N -0.455 120.082 120.500 0.062 0.000 2.092 164 R HA -0.099 4.239 4.340 -0.002 0.000 0.231 164 R C 2.245 178.579 176.300 0.057 0.000 1.119 164 R CA 0.988 57.120 56.100 0.053 0.000 0.970 164 R CB -0.376 29.953 30.300 0.048 0.000 0.864 164 R HN 0.198 nan 8.270 nan 0.000 0.440 165 V N 1.049 121.000 119.914 0.062 0.000 2.358 165 V HA -0.231 3.887 4.120 -0.002 0.000 0.246 165 V C 2.471 178.591 176.094 0.044 0.000 1.047 165 V CA 1.943 64.275 62.300 0.053 0.000 1.035 165 V CB -0.641 31.217 31.823 0.058 0.000 0.658 165 V HN 0.378 nan 8.190 nan 0.000 0.452 166 A N -0.192 122.664 122.820 0.060 0.000 1.902 166 A HA -0.275 4.043 4.320 -0.002 0.000 0.217 166 A C 2.350 179.978 177.584 0.074 0.000 1.181 166 A CA 2.220 54.295 52.037 0.062 0.000 0.623 166 A CB -0.484 18.558 19.000 0.070 0.000 0.818 166 A HN 0.530 nan 8.150 nan 0.000 0.443 167 K N -0.472 119.970 120.400 0.070 0.000 2.097 167 K HA -0.191 4.127 4.320 -0.002 0.000 0.205 167 K C 2.079 178.746 176.600 0.112 0.000 1.050 167 K CA 1.715 58.055 56.287 0.087 0.000 0.938 167 K CB -0.122 32.415 32.500 0.061 0.000 0.718 167 K HN 0.265 nan 8.250 nan 0.000 0.442 168 K N 1.003 121.449 120.400 0.077 0.000 2.026 168 K HA -0.084 4.235 4.320 -0.002 0.000 0.208 168 K C 1.983 178.621 176.600 0.063 0.000 1.048 168 K CA 1.371 57.702 56.287 0.072 0.000 0.929 168 K CB -0.262 32.276 32.500 0.063 0.000 0.713 168 K HN 0.132 nan 8.250 nan 0.000 0.439 169 L N -0.071 121.150 121.223 -0.003 0.000 1.989 169 L HA -0.267 4.071 4.340 -0.002 0.000 0.211 169 L C 2.675 179.562 176.870 0.028 0.000 1.071 169 L CA 1.929 56.706 54.840 -0.105 0.000 0.749 169 L CB -0.832 41.132 42.059 -0.158 0.000 0.890 169 L HN 0.484 nan 8.230 nan 0.000 0.431 170 H N 0.796 119.865 119.070 -0.002 0.000 2.353 170 H HA -0.209 4.346 4.556 -0.002 0.000 0.298 170 H C 1.691 177.038 175.328 0.031 0.000 1.103 170 H CA 2.080 58.140 56.048 0.020 0.000 1.293 170 H CB 0.247 30.023 29.762 0.024 0.000 1.372 170 H HN 0.490 nan 8.280 nan 0.000 0.501 171 E N -0.115 120.081 120.200 -0.007 0.000 2.478 171 E HA -0.027 4.321 4.350 -0.002 0.000 0.194 171 E C 1.501 178.093 176.600 -0.014 0.000 1.045 171 E CA 0.620 56.991 56.400 -0.048 0.000 0.868 171 E CB 0.331 30.060 29.700 0.047 0.000 0.885 171 E HN 0.458 nan 8.360 nan 0.000 0.505 172 S N -0.306 115.419 115.700 0.042 0.000 2.629 172 S HA 0.100 4.569 4.470 -0.002 0.000 0.236 172 S C 0.173 174.846 174.600 0.122 0.000 1.010 172 S CA -0.596 57.663 58.200 0.097 0.000 0.981 172 S CB 0.208 63.524 63.200 0.192 0.000 0.919 172 S HN 0.094 nan 8.310 nan 0.000 0.514 173 Q N -0.470 119.378 119.800 0.079 0.000 2.590 173 Q HA 0.570 4.908 4.340 -0.002 0.000 0.295 173 Q C -2.732 173.268 176.000 -0.001 0.000 0.973 173 Q CA -1.561 54.284 55.803 0.071 0.000 0.768 173 Q CB 0.014 28.860 28.738 0.179 0.000 1.479 173 Q HN -0.076 nan 8.270 nan 0.000 0.419 174 P HA -0.125 nan 4.420 nan 0.000 0.216 174 P C 0.084 177.373 177.300 -0.017 0.000 1.153 174 P CA 0.887 63.973 63.100 -0.023 0.000 0.858 174 P CB -0.031 31.657 31.700 -0.021 0.000 0.789 175 V N 2.751 122.669 119.914 0.008 0.000 2.599 175 V HA -0.002 4.117 4.120 -0.002 0.000 0.300 175 V C 0.489 176.618 176.094 0.058 0.000 1.034 175 V CA 0.293 62.613 62.300 0.033 0.000 1.115 175 V CB -0.262 31.591 31.823 0.050 0.000 0.934 175 V HN 0.022 nan 8.190 nan 0.000 0.485 176 D N 4.892 125.346 120.400 0.091 0.000 2.312 176 D HA 0.476 5.114 4.640 -0.002 0.000 0.252 176 D C -0.209 176.227 176.300 0.228 0.000 1.150 176 D CA 0.082 54.203 54.000 0.201 0.000 0.870 176 D CB 1.276 42.169 40.800 0.155 0.000 1.153 176 D HN 0.341 nan 8.370 nan 0.000 0.457 177 L N 1.489 122.928 121.223 0.360 0.000 2.334 177 L HA 0.531 4.870 4.340 -0.002 0.000 0.276 177 L C -0.261 176.609 176.870 -0.000 0.000 1.014 177 L CA -1.192 53.732 54.840 0.140 0.000 0.815 177 L CB 2.028 44.173 42.059 0.145 0.000 1.268 177 L HN -0.053 nan 8.230 nan 0.000 0.428 178 V N 1.366 121.293 119.914 0.023 0.000 2.384 178 V HA 0.288 4.406 4.120 -0.002 0.000 0.287 178 V C 0.071 176.197 176.094 0.053 0.000 1.020 178 V CA -0.319 62.004 62.300 0.038 0.000 0.850 178 V CB 1.752 33.612 31.823 0.061 0.000 0.987 178 V HN 0.801 nan 8.190 nan 0.000 0.436 179 S N 3.748 119.495 115.700 0.079 0.000 2.457 179 S HA 0.591 5.060 4.470 -0.002 0.000 0.289 179 S C -0.134 174.581 174.600 0.192 0.000 1.163 179 S CA -0.279 57.980 58.200 0.099 0.000 1.078 179 S CB 0.804 64.047 63.200 0.073 0.000 0.987 179 S HN 0.803 nan 8.310 nan 0.000 0.482 180 T N 5.242 119.881 114.554 0.142 0.000 2.824 180 T HA 0.390 4.739 4.350 -0.002 0.000 0.282 180 T C -1.029 173.767 174.700 0.159 0.000 0.993 180 T CA -0.319 61.890 62.100 0.182 0.000 0.967 180 T CB 0.591 69.477 68.868 0.031 0.000 0.960 180 T HN 0.546 nan 8.240 nan 0.000 0.441 181 F N 4.505 124.481 119.950 0.044 0.000 2.421 181 F HA 0.528 5.053 4.527 -0.002 0.000 0.358 181 F C 0.321 176.093 175.800 -0.048 0.000 1.115 181 F CA -1.215 56.771 58.000 -0.024 0.000 1.160 181 F CB 0.664 39.613 39.000 -0.086 0.000 1.123 181 F HN 0.502 nan 8.300 nan 0.000 0.508 182 M N 6.265 125.527 119.600 -0.564 0.000 3.036 182 M HA 0.281 4.759 4.480 -0.002 0.000 0.323 182 M C 1.104 177.002 176.300 -0.670 0.000 1.248 182 M CA -0.074 54.865 55.300 -0.601 0.000 0.819 182 M CB -0.033 32.279 32.600 -0.480 0.000 1.361 182 M HN 0.812 nan 8.290 nan 0.000 0.510 183 G N 0.450 108.455 108.800 -1.325 0.000 2.462 183 G HA2 -0.123 3.836 3.960 -0.002 0.000 0.220 183 G HA3 -0.123 3.836 3.960 -0.002 0.000 0.220 183 G C 0.788 175.540 174.900 -0.246 0.000 1.121 183 G CA 0.693 45.399 45.100 -0.656 0.000 0.758 183 G HN 0.656 nan 8.290 nan 0.000 0.559 184 A N -0.245 122.318 122.820 -0.429 0.000 3.117 184 A HA 0.422 4.741 4.320 -0.002 0.000 0.255 184 A C 1.039 178.711 177.584 0.146 0.000 1.583 184 A CA -0.043 51.798 52.037 -0.327 0.000 1.234 184 A CB -0.754 17.593 19.000 -1.087 0.000 1.076 184 A HN 0.623 nan 8.150 nan 0.000 0.653 185 H N -0.181 118.981 119.070 0.152 0.000 2.431 185 H HA 0.460 5.014 4.556 -0.002 0.000 0.295 185 H C 0.812 176.321 175.328 0.301 0.000 1.038 185 H CA 0.801 56.933 56.048 0.140 0.000 1.360 185 H CB 0.319 30.057 29.762 -0.040 0.000 1.433 185 H HN 0.645 nan 8.280 nan 0.000 0.536 186 A N 0.147 123.163 122.820 0.326 0.000 2.581 186 A HA 0.445 4.764 4.320 -0.002 0.000 0.290 186 A C -1.594 175.852 177.584 -0.231 0.000 1.119 186 A CA -0.731 51.290 52.037 -0.027 0.000 0.670 186 A CB 0.739 19.665 19.000 -0.123 0.000 1.280 186 A HN 0.165 nan 8.150 nan 0.000 0.425 187 I N 1.767 122.068 120.570 -0.447 0.000 2.304 187 I HA 0.339 4.508 4.170 -0.002 0.000 0.291 187 I C -2.267 173.600 176.117 -0.417 0.000 1.018 187 I CA -1.814 59.168 61.300 -0.530 0.000 1.260 187 I CB 1.547 39.294 38.000 -0.422 0.000 1.390 187 I HN 0.331 nan 8.210 nan 0.000 0.475 188 P HA 0.155 nan 4.420 nan 0.000 0.272 188 P C -2.087 175.152 177.300 -0.102 0.000 1.223 188 P CA -1.160 61.802 63.100 -0.231 0.000 0.784 188 P CB 0.174 31.778 31.700 -0.161 0.000 0.923 189 P HA -0.236 nan 4.420 nan 0.000 0.216 189 P C 1.270 178.538 177.300 -0.053 0.000 1.157 189 P CA 1.594 64.658 63.100 -0.060 0.000 0.880 189 P CB -0.295 31.375 31.700 -0.050 0.000 0.791 190 E N -1.346 118.829 120.200 -0.042 0.000 2.463 190 E HA -0.187 4.162 4.350 -0.002 0.000 0.201 190 E C 0.458 176.853 176.600 -0.342 0.000 1.045 190 E CA 1.323 57.627 56.400 -0.160 0.000 0.872 190 E CB -0.911 28.695 29.700 -0.157 0.000 0.797 190 E HN 0.446 nan 8.360 nan 0.000 0.538 191 Y N -0.057 120.215 120.300 -0.047 0.000 2.707 191 Y HA 0.205 4.754 4.550 -0.002 0.000 0.249 191 Y C 1.938 177.808 175.900 -0.051 0.000 1.166 191 Y CA -0.558 57.534 58.100 -0.014 0.000 1.184 191 Y CB 0.637 39.121 38.460 0.040 0.000 1.240 191 Y HN -0.138 nan 8.280 nan 0.000 0.547 192 Q N 1.132 120.939 119.800 0.012 0.000 2.133 192 Q HA -0.174 4.165 4.340 -0.002 0.000 0.208 192 Q C 0.414 176.406 176.000 -0.014 0.000 0.991 192 Q CA 1.549 57.331 55.803 -0.035 0.000 0.867 192 Q CB -0.069 28.633 28.738 -0.061 0.000 0.911 192 Q HN 0.485 nan 8.270 nan 0.000 0.417 193 N N 0.679 119.380 118.700 0.001 0.000 2.376 193 N HA 0.030 4.769 4.740 -0.002 0.000 0.249 193 N C -0.693 174.848 175.510 0.050 0.000 1.140 193 N CA 0.157 53.213 53.050 0.009 0.000 0.870 193 N CB 0.741 39.221 38.487 -0.010 0.000 1.124 193 N HN 0.087 nan 8.380 nan 0.000 0.505 194 D N 0.040 120.507 120.400 0.111 0.000 3.784 194 D HA 0.050 4.689 4.640 -0.002 0.000 0.261 194 D C -1.901 174.570 176.300 0.285 0.000 1.391 194 D CA -0.716 53.395 54.000 0.185 0.000 0.797 194 D CB 1.278 42.200 40.800 0.204 0.000 1.391 194 D HN -0.004 nan 8.370 nan 0.000 0.734 195 P HA -0.124 nan 4.420 nan 0.000 0.215 195 P C 1.051 178.547 177.300 0.326 0.000 1.153 195 P CA 0.876 64.155 63.100 0.298 0.000 0.853 195 P CB 0.702 32.524 31.700 0.203 0.000 0.788 196 D N -0.075 120.455 120.400 0.216 0.000 2.144 196 D HA -0.174 4.464 4.640 -0.002 0.000 0.199 196 D C 1.765 178.139 176.300 0.123 0.000 0.984 196 D CA 1.232 55.320 54.000 0.147 0.000 0.834 196 D CB -0.624 40.243 40.800 0.111 0.000 0.955 196 D HN 0.165 nan 8.370 nan 0.000 0.465 197 D N -0.043 120.465 120.400 0.181 0.000 2.117 197 D HA -0.170 4.469 4.640 -0.002 0.000 0.197 197 D C 1.894 178.222 176.300 0.045 0.000 0.987 197 D CA 0.428 54.537 54.000 0.182 0.000 0.829 197 D CB -0.300 40.706 40.800 0.342 0.000 0.961 197 D HN 0.088 nan 8.370 nan 0.000 0.460 198 F N 1.039 120.876 119.950 -0.189 0.000 2.095 198 F HA -0.110 4.415 4.527 -0.002 0.000 0.298 198 F C 2.074 177.716 175.800 -0.264 0.000 1.104 198 F CA 1.273 58.937 58.000 -0.561 0.000 1.232 198 F CB -0.549 38.202 39.000 -0.416 0.000 0.987 198 F HN -0.025 nan 8.300 nan 0.000 0.475 199 L N 0.011 121.040 121.223 -0.323 0.000 2.042 199 L HA -0.256 4.083 4.340 -0.002 0.000 0.210 199 L C 2.243 178.996 176.870 -0.194 0.000 1.076 199 L CA 1.619 56.201 54.840 -0.431 0.000 0.749 199 L CB -0.928 40.960 42.059 -0.285 0.000 0.893 199 L HN 0.130 nan 8.230 nan 0.000 0.432 200 D N -0.314 120.021 120.400 -0.108 0.000 2.144 200 D HA -0.197 4.442 4.640 -0.002 0.000 0.199 200 D C 2.273 178.519 176.300 -0.090 0.000 0.984 200 D CA 1.148 55.117 54.000 -0.051 0.000 0.834 200 D CB -0.086 40.708 40.800 -0.009 0.000 0.955 200 D HN 0.460 nan 8.370 nan 0.000 0.465 201 Q N -0.642 119.055 119.800 -0.171 0.000 2.172 201 Q HA -0.015 4.323 4.340 -0.002 0.000 0.200 201 Q C 2.058 177.957 176.000 -0.168 0.000 0.964 201 Q CA 0.605 56.316 55.803 -0.152 0.000 0.855 201 Q CB 0.100 28.746 28.738 -0.154 0.000 0.918 201 Q HN 0.225 nan 8.270 nan 0.000 0.444 202 M N 0.030 119.466 119.600 -0.273 0.000 2.254 202 M HA -0.070 4.408 4.480 -0.002 0.000 0.265 202 M C 2.033 178.377 176.300 0.074 0.000 1.066 202 M CA 1.162 56.419 55.300 -0.071 0.000 1.123 202 M CB -0.575 31.893 32.600 -0.220 0.000 1.388 202 M HN 0.249 nan 8.290 nan 0.000 0.425 203 L N 0.139 121.378 121.223 0.026 0.000 2.093 203 L HA -0.176 4.162 4.340 -0.002 0.000 0.208 203 L C 2.491 179.297 176.870 -0.107 0.000 1.085 203 L CA 1.415 56.213 54.840 -0.070 0.000 0.755 203 L CB -0.701 41.304 42.059 -0.090 0.000 0.904 203 L HN 0.385 nan 8.230 nan 0.000 0.435 204 S N -0.370 115.282 115.700 -0.080 0.000 2.537 204 S HA -0.083 4.386 4.470 -0.002 0.000 0.240 204 S C 1.670 176.212 174.600 -0.097 0.000 0.981 204 S CA 0.692 58.849 58.200 -0.073 0.000 0.948 204 S CB -0.417 62.755 63.200 -0.046 0.000 0.759 204 S HN 0.434 nan 8.310 nan 0.000 0.531 205 L N 0.143 121.277 121.223 -0.148 0.000 2.477 205 L HA 0.256 4.594 4.340 -0.002 0.000 0.220 205 L C 2.138 178.825 176.870 -0.305 0.000 1.106 205 L CA 0.141 54.846 54.840 -0.224 0.000 0.851 205 L CB -0.411 41.466 42.059 -0.303 0.000 0.994 205 L HN 0.302 nan 8.230 nan 0.000 0.462 206 L N 0.364 121.404 121.223 -0.304 0.000 2.042 206 L HA -0.147 4.192 4.340 -0.002 0.000 0.210 206 L C -0.153 176.714 176.870 -0.006 0.000 1.076 206 L CA 1.482 56.154 54.840 -0.280 0.000 0.749 206 L CB -1.832 40.034 42.059 -0.323 0.000 0.893 206 L HN 0.228 nan 8.230 nan 0.000 0.432 207 P HA -0.203 nan 4.420 nan 0.000 0.215 207 P C 1.472 178.768 177.300 -0.007 0.000 1.157 207 P CA 1.349 64.451 63.100 0.004 0.000 0.868 207 P CB 0.087 31.775 31.700 -0.020 0.000 0.788 208 E N -0.450 119.725 120.200 -0.042 0.000 2.051 208 E HA -0.172 4.177 4.350 -0.002 0.000 0.192 208 E C 1.948 178.525 176.600 -0.038 0.000 0.991 208 E CA 1.046 57.419 56.400 -0.045 0.000 0.799 208 E CB -0.503 29.157 29.700 -0.066 0.000 0.748 208 E HN 0.124 nan 8.360 nan 0.000 0.449 209 I N 0.863 121.399 120.570 -0.057 0.000 2.226 209 I HA -0.284 3.885 4.170 -0.002 0.000 0.245 209 I C 2.671 178.833 176.117 0.076 0.000 1.100 209 I CA 1.137 62.427 61.300 -0.017 0.000 1.374 209 I CB -0.258 37.675 38.000 -0.112 0.000 1.057 209 I HN 0.098 nan 8.210 nan 0.000 0.413 210 K N 1.083 121.562 120.400 0.132 0.000 2.002 210 K HA -0.274 4.045 4.320 -0.002 0.000 0.209 210 K C 2.137 178.700 176.600 -0.063 0.000 1.048 210 K CA 1.947 58.218 56.287 -0.026 0.000 0.930 210 K CB -0.082 32.388 32.500 -0.051 0.000 0.714 210 K HN 0.087 nan 8.250 nan 0.000 0.438 211 E N 1.084 121.263 120.200 -0.035 0.000 2.130 211 E HA -0.229 4.120 4.350 -0.002 0.000 0.196 211 E C 1.325 177.904 176.600 -0.035 0.000 0.998 211 E CA 1.799 58.176 56.400 -0.039 0.000 0.806 211 E CB -0.045 29.639 29.700 -0.027 0.000 0.738 211 E HN 0.427 nan 8.360 nan 0.000 0.459 212 Q N -0.166 119.618 119.800 -0.027 0.000 2.320 212 Q HA 0.116 4.455 4.340 -0.002 0.000 0.201 212 Q C -0.583 175.403 176.000 -0.023 0.000 0.910 212 Q CA 0.329 56.120 55.803 -0.020 0.000 0.946 212 Q CB 0.324 29.054 28.738 -0.013 0.000 1.062 212 Q HN 0.313 nan 8.270 nan 0.000 0.503 213 E N 0.113 120.289 120.200 -0.041 0.000 2.269 213 E HA -0.244 4.104 4.350 -0.002 0.000 0.223 213 E C 0.141 176.726 176.600 -0.025 0.000 1.244 213 E CA -0.009 56.357 56.400 -0.056 0.000 0.713 213 E CB -1.196 28.468 29.700 -0.060 0.000 1.178 213 E HN 0.466 nan 8.360 nan 0.000 0.370 214 L N -1.110 120.116 121.223 0.005 0.000 2.509 214 L HA 0.269 4.607 4.340 -0.002 0.000 0.222 214 L C 0.915 177.827 176.870 0.070 0.000 1.123 214 L CA 0.717 55.574 54.840 0.028 0.000 0.856 214 L CB 0.203 42.273 42.059 0.019 0.000 0.985 214 L HN 0.321 nan 8.230 nan 0.000 0.456 215 A N -1.891 120.997 122.820 0.113 0.000 2.604 215 A HA 0.577 4.895 4.320 -0.002 0.000 0.295 215 A C 0.067 177.742 177.584 0.152 0.000 1.067 215 A CA -0.356 51.802 52.037 0.201 0.000 0.683 215 A CB 1.395 20.590 19.000 0.326 0.000 1.281 215 A HN -0.121 nan 8.150 nan 0.000 0.407 216 S N -0.329 115.447 115.700 0.126 0.000 2.524 216 S HA 0.434 4.902 4.470 -0.002 0.000 0.222 216 S C -0.277 174.136 174.600 -0.311 0.000 1.040 216 S CA 0.489 58.579 58.200 -0.184 0.000 0.915 216 S CB -0.067 62.990 63.200 -0.237 0.000 0.831 216 S HN 0.522 nan 8.310 nan 0.000 0.492 217 F N 0.806 120.901 119.950 0.243 0.000 2.631 217 F HA 0.795 5.321 4.527 -0.002 0.000 0.328 217 F C -0.060 175.888 175.800 0.246 0.000 1.067 217 F CA -1.363 56.777 58.000 0.233 0.000 0.969 217 F CB 1.243 40.301 39.000 0.096 0.000 1.332 217 F HN -0.091 nan 8.300 nan 0.000 0.490 218 A N 1.043 124.067 122.820 0.340 0.000 2.371 218 A HA 0.645 4.963 4.320 -0.002 0.000 0.311 218 A C -1.578 176.081 177.584 0.125 0.000 1.068 218 A CA -0.445 51.682 52.037 0.150 0.000 0.744 218 A CB 1.375 20.375 19.000 0.000 0.000 1.239 218 A HN 0.663 nan 8.150 nan 0.000 0.435 219 D N 0.667 121.081 120.400 0.023 0.000 2.450 219 D HA 0.765 5.404 4.640 -0.002 0.000 0.238 219 D C -1.275 175.014 176.300 -0.020 0.000 1.020 219 D CA -0.166 53.843 54.000 0.015 0.000 1.010 219 D CB 2.027 42.786 40.800 -0.068 0.000 1.342 219 D HN 0.564 nan 8.370 nan 0.000 0.530 220 I N 0.829 121.422 120.570 0.039 0.000 2.828 220 I HA 0.262 4.431 4.170 -0.002 0.000 0.295 220 I C -1.856 174.392 176.117 0.218 0.000 1.459 220 I CA -0.773 60.539 61.300 0.020 0.000 1.015 220 I CB 1.932 39.906 38.000 -0.043 0.000 1.345 220 I HN 0.165 nan 8.210 nan 0.000 0.449 221 F N 6.037 126.054 119.950 0.113 0.000 2.334 221 F HA 0.462 4.988 4.527 -0.002 0.000 0.365 221 F C -0.193 175.746 175.800 0.231 0.000 1.124 221 F CA -0.560 57.543 58.000 0.172 0.000 1.166 221 F CB 0.501 39.616 39.000 0.192 0.000 1.355 221 F HN 0.301 nan 8.300 nan 0.000 0.532 222 T N 5.163 119.934 114.554 0.362 0.000 2.875 222 T HA 0.350 4.698 4.350 -0.002 0.000 0.307 222 T C -0.339 174.346 174.700 -0.025 0.000 1.013 222 T CA -0.152 62.036 62.100 0.147 0.000 0.970 222 T CB 0.281 69.245 68.868 0.161 0.000 0.986 222 T HN 0.580 nan 8.240 nan 0.000 0.536 223 E N 1.892 121.931 120.200 -0.268 0.000 2.430 223 E HA 0.394 4.742 4.350 -0.002 0.000 0.279 223 E C -0.767 175.651 176.600 -0.303 0.000 1.003 223 E CA -0.636 55.546 56.400 -0.363 0.000 0.801 223 E CB 1.158 30.345 29.700 -0.856 0.000 1.313 223 E HN 0.237 nan 8.360 nan 0.000 0.459 224 T N 1.689 116.116 114.554 -0.211 0.000 2.928 224 T HA 0.432 4.780 4.350 -0.002 0.000 0.305 224 T C 1.020 175.586 174.700 -0.223 0.000 1.035 224 T CA 1.227 63.227 62.100 -0.167 0.000 1.145 224 T CB 0.343 69.146 68.868 -0.107 0.000 0.963 224 T HN 0.946 nan 8.240 nan 0.000 0.545 225 G N 1.734 110.409 108.800 -0.207 0.000 2.179 225 G HA2 -0.246 3.712 3.960 -0.002 0.000 0.260 225 G HA3 -0.246 3.712 3.960 -0.002 0.000 0.260 225 G C 0.341 175.040 174.900 -0.335 0.000 0.977 225 G CA 0.311 45.273 45.100 -0.232 0.000 0.641 225 G HN 0.678 nan 8.290 nan 0.000 0.533 226 V N -1.251 118.410 119.914 -0.422 0.000 6.580 226 V HA 0.723 4.842 4.120 -0.002 0.000 0.148 226 V C 0.342 176.039 176.094 -0.662 0.000 1.377 226 V CA -0.372 61.542 62.300 -0.643 0.000 1.053 226 V CB -0.047 31.340 31.823 -0.726 0.000 2.181 226 V HN 0.106 nan 8.190 nan 0.000 0.312 227 F N 1.548 121.400 119.950 -0.165 0.000 2.421 227 F HA 0.550 5.075 4.527 -0.002 0.000 0.337 227 F C 0.871 176.623 175.800 -0.080 0.000 1.105 227 F CA -0.540 57.404 58.000 -0.093 0.000 1.049 227 F CB 1.510 40.467 39.000 -0.072 0.000 1.139 227 F HN 0.419 nan 8.300 nan 0.000 0.479 228 T N -0.998 113.634 114.554 0.130 0.000 2.788 228 T HA 0.210 4.558 4.350 -0.002 0.000 0.287 228 T C 1.111 175.862 174.700 0.085 0.000 1.007 228 T CA -0.833 61.307 62.100 0.067 0.000 1.005 228 T CB 1.235 70.132 68.868 0.049 0.000 1.012 228 T HN 0.338 nan 8.240 nan 0.000 0.530 229 V N 1.669 121.619 119.914 0.060 0.000 2.343 229 V HA -0.182 3.937 4.120 -0.002 0.000 0.247 229 V C 3.157 179.290 176.094 0.064 0.000 1.051 229 V CA 2.406 64.744 62.300 0.063 0.000 1.036 229 V CB -1.353 30.499 31.823 0.049 0.000 0.654 229 V HN 1.110 nan 8.190 nan 0.000 0.451 230 S N -0.119 115.615 115.700 0.056 0.000 2.382 230 S HA -0.290 4.178 4.470 -0.002 0.000 0.228 230 S C 1.904 176.543 174.600 0.064 0.000 1.027 230 S CA 1.596 59.828 58.200 0.054 0.000 0.991 230 S CB -0.496 62.731 63.200 0.045 0.000 0.823 230 S HN 0.696 nan 8.310 nan 0.000 0.469 231 Q N 1.025 120.872 119.800 0.078 0.000 2.119 231 Q HA -0.004 4.335 4.340 -0.002 0.000 0.201 231 Q C 2.490 178.530 176.000 0.068 0.000 0.972 231 Q CA 1.598 57.450 55.803 0.082 0.000 0.847 231 Q CB -0.299 28.517 28.738 0.130 0.000 0.903 231 Q HN 0.628 nan 8.270 nan 0.000 0.433 232 S N 0.693 116.439 115.700 0.076 0.000 2.368 232 S HA -0.161 4.307 4.470 -0.002 0.000 0.224 232 S C 1.785 176.450 174.600 0.108 0.000 1.029 232 S CA 1.072 59.322 58.200 0.084 0.000 0.988 232 S CB -0.211 63.048 63.200 0.099 0.000 0.838 232 S HN 0.332 nan 8.310 nan 0.000 0.462 233 R N 1.609 122.158 120.500 0.083 0.000 2.082 233 R HA -0.100 4.239 4.340 -0.002 0.000 0.234 233 R C 2.484 178.820 176.300 0.061 0.000 1.136 233 R CA 1.678 57.819 56.100 0.067 0.000 0.935 233 R CB -0.310 30.022 30.300 0.053 0.000 0.842 233 R HN 0.284 nan 8.270 nan 0.000 0.430 234 R N -0.761 119.777 120.500 0.062 0.000 2.091 234 R HA -0.237 4.102 4.340 -0.002 0.000 0.238 234 R C 2.262 178.593 176.300 0.052 0.000 1.136 234 R CA 2.043 58.173 56.100 0.050 0.000 0.959 234 R CB -0.568 29.764 30.300 0.053 0.000 0.856 234 R HN 0.399 nan 8.270 nan 0.000 0.437 235 Y N 0.930 121.194 120.300 -0.061 0.000 2.163 235 Y HA -0.153 4.396 4.550 -0.002 0.000 0.288 235 Y C 1.899 177.755 175.900 -0.073 0.000 1.136 235 Y CA 1.762 59.802 58.100 -0.100 0.000 1.147 235 Y CB -0.223 38.131 38.460 -0.177 0.000 0.987 235 Y HN 0.027 nan 8.280 nan 0.000 0.509 236 L N -0.152 121.079 121.223 0.014 0.000 2.093 236 L HA -0.226 4.113 4.340 -0.002 0.000 0.208 236 L C 2.464 179.297 176.870 -0.062 0.000 1.085 236 L CA 1.372 56.187 54.840 -0.043 0.000 0.755 236 L CB -0.623 41.479 42.059 0.072 0.000 0.904 236 L HN 0.295 nan 8.230 nan 0.000 0.435 237 Q N -0.053 119.730 119.800 -0.030 0.000 2.124 237 Q HA -0.254 4.085 4.340 -0.002 0.000 0.202 237 Q C 2.142 178.109 176.000 -0.055 0.000 0.977 237 Q CA 1.402 57.191 55.803 -0.023 0.000 0.850 237 Q CB -0.076 28.659 28.738 -0.005 0.000 0.901 237 Q HN 0.177 nan 8.270 nan 0.000 0.429 238 K N 0.932 121.271 120.400 -0.101 0.000 2.103 238 K HA -0.049 4.270 4.320 -0.002 0.000 0.204 238 K C 1.776 178.281 176.600 -0.159 0.000 1.052 238 K CA 1.208 57.420 56.287 -0.125 0.000 0.945 238 K CB -0.340 32.067 32.500 -0.155 0.000 0.722 238 K HN 0.176 nan 8.250 nan 0.000 0.443 239 A N 0.463 123.132 122.820 -0.251 0.000 1.930 239 A HA -0.019 4.299 4.320 -0.002 0.000 0.217 239 A C 2.344 179.934 177.584 0.010 0.000 1.175 239 A CA 1.853 53.759 52.037 -0.219 0.000 0.627 239 A CB -0.958 17.846 19.000 -0.327 0.000 0.815 239 A HN 0.382 nan 8.150 nan 0.000 0.443 240 A N -0.110 122.707 122.820 -0.005 0.000 1.933 240 A HA -0.165 4.154 4.320 -0.002 0.000 0.218 240 A C 1.893 179.487 177.584 0.017 0.000 1.175 240 A CA 1.598 53.651 52.037 0.027 0.000 0.628 240 A CB -0.502 18.505 19.000 0.013 0.000 0.814 240 A HN 0.635 nan 8.150 nan 0.000 0.444 241 E N -0.327 119.873 120.200 -0.001 0.000 2.150 241 E HA -0.047 4.301 4.350 -0.002 0.000 0.193 241 E C 1.894 178.499 176.600 0.009 0.000 0.985 241 E CA 0.754 57.151 56.400 -0.006 0.000 0.814 241 E CB -0.210 29.480 29.700 -0.017 0.000 0.752 241 E HN 0.605 nan 8.360 nan 0.000 0.466 242 A N 0.311 123.161 122.820 0.049 0.000 2.235 242 A HA 0.235 4.554 4.320 -0.002 0.000 0.208 242 A C 1.570 179.226 177.584 0.119 0.000 1.172 242 A CA 0.786 52.890 52.037 0.112 0.000 0.786 242 A CB -0.278 18.819 19.000 0.161 0.000 0.804 242 A HN 0.318 nan 8.150 nan 0.000 0.479 243 G N -2.163 106.654 108.800 0.028 0.000 2.131 243 G HA2 -0.210 3.749 3.960 -0.002 0.000 0.223 243 G HA3 -0.210 3.749 3.960 -0.002 0.000 0.223 243 G C -0.195 174.499 174.900 -0.344 0.000 0.990 243 G CA 0.019 45.021 45.100 -0.164 0.000 0.671 243 G HN 0.299 nan 8.290 nan 0.000 0.521 244 F N 0.869 120.741 119.950 -0.130 0.000 2.458 244 F HA 0.674 5.199 4.527 -0.002 0.000 0.330 244 F C 1.196 176.895 175.800 -0.168 0.000 1.082 244 F CA -0.224 57.679 58.000 -0.161 0.000 0.995 244 F CB 1.507 40.448 39.000 -0.098 0.000 1.170 244 F HN 0.194 nan 8.300 nan 0.000 0.478 245 G N 1.789 110.483 108.800 -0.176 0.000 2.606 245 G HA2 0.464 4.422 3.960 -0.002 0.000 0.252 245 G HA3 0.464 4.422 3.960 -0.002 0.000 0.252 245 G C -1.248 173.791 174.900 0.231 0.000 1.206 245 G CA -0.401 44.625 45.100 -0.122 0.000 0.861 245 G HN 0.365 nan 8.290 nan 0.000 0.561 246 L N 0.402 121.799 121.223 0.291 0.000 2.329 246 L HA 0.596 4.934 4.340 -0.002 0.000 0.279 246 L C 0.375 177.391 176.870 0.243 0.000 1.014 246 L CA -0.365 54.622 54.840 0.245 0.000 0.814 246 L CB 1.971 44.118 42.059 0.146 0.000 1.257 246 L HN 0.538 nan 8.230 nan 0.000 0.424 247 K N 2.924 123.433 120.400 0.182 0.000 2.466 247 K HA 0.804 5.122 4.320 -0.002 0.000 0.260 247 K C -1.587 175.081 176.600 0.114 0.000 1.011 247 K CA -0.854 55.492 56.287 0.097 0.000 0.871 247 K CB 3.257 35.759 32.500 0.003 0.000 1.404 247 K HN 0.517 nan 8.250 nan 0.000 0.450 248 I N 0.632 121.270 120.570 0.113 0.000 2.785 248 I HA 0.196 4.365 4.170 -0.002 0.000 0.293 248 I C -1.731 174.516 176.117 0.216 0.000 1.446 248 I CA -0.605 60.808 61.300 0.188 0.000 1.028 248 I CB 1.798 39.894 38.000 0.161 0.000 1.349 248 I HN 0.679 nan 8.210 nan 0.000 0.438 249 H N 6.086 125.249 119.070 0.156 0.000 2.872 249 H HA 0.652 5.207 4.556 -0.002 0.000 0.273 249 H C -0.053 175.414 175.328 0.233 0.000 1.205 249 H CA 0.071 56.239 56.048 0.199 0.000 1.342 249 H CB 0.879 30.727 29.762 0.143 0.000 1.469 249 H HN 0.559 nan 8.280 nan 0.000 0.487 250 A N 2.245 125.202 122.820 0.228 0.000 2.340 250 A HA 0.429 4.748 4.320 -0.002 0.000 0.331 250 A C -0.306 177.356 177.584 0.131 0.000 1.140 250 A CA -0.951 51.192 52.037 0.176 0.000 0.801 250 A CB 0.539 19.619 19.000 0.134 0.000 1.234 250 A HN 0.771 nan 8.150 nan 0.000 0.469 251 D N 1.720 122.181 120.400 0.101 0.000 2.810 251 D HA -0.156 4.482 4.640 -0.002 0.000 0.224 251 D C 0.797 177.124 176.300 0.044 0.000 1.222 251 D CA 1.493 55.533 54.000 0.067 0.000 0.698 251 D CB -0.641 40.201 40.800 0.070 0.000 0.961 251 D HN 0.809 nan 8.370 nan 0.000 0.403 252 E N -0.643 119.527 120.200 -0.051 0.000 2.208 252 E HA -0.058 4.291 4.350 -0.002 0.000 0.193 252 E C 1.942 178.499 176.600 -0.071 0.000 0.988 252 E CA 0.730 56.929 56.400 -0.334 0.000 0.828 252 E CB 0.524 29.831 29.700 -0.655 0.000 0.763 252 E HN 0.550 nan 8.360 nan 0.000 0.478 253 I N -0.433 120.131 120.570 -0.010 0.000 3.878 253 I HA 0.069 4.237 4.170 -0.002 0.000 0.273 253 I C 0.231 176.360 176.117 0.020 0.000 1.165 253 I CA -0.041 61.269 61.300 0.017 0.000 1.360 253 I CB 0.682 38.691 38.000 0.015 0.000 1.539 253 I HN -0.167 nan 8.210 nan 0.000 0.447 254 D N 2.686 123.094 120.400 0.013 0.000 2.350 254 D HA 0.283 4.922 4.640 -0.002 0.000 0.238 254 D C -2.393 173.920 176.300 0.021 0.000 0.989 254 D CA -1.451 52.557 54.000 0.014 0.000 0.921 254 D CB 1.617 42.419 40.800 0.003 0.000 1.297 254 D HN -0.036 nan 8.370 nan 0.000 0.490 255 P HA 0.140 nan 4.420 nan 0.000 0.230 255 P C 0.870 178.185 177.300 0.024 0.000 1.791 255 P CA 0.005 63.122 63.100 0.028 0.000 1.020 255 P CB -0.078 31.638 31.700 0.026 0.000 1.977 256 L N 0.372 121.609 121.223 0.024 0.000 2.376 256 L HA 0.068 4.406 4.340 -0.002 0.000 0.219 256 L C 1.700 178.588 176.870 0.029 0.000 1.133 256 L CA 1.268 56.121 54.840 0.021 0.000 0.816 256 L CB -0.730 41.338 42.059 0.015 0.000 0.933 256 L HN 0.416 nan 8.230 nan 0.000 0.449 257 G N -1.086 107.737 108.800 0.037 0.000 2.143 257 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.175 257 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.175 257 G C 0.802 175.733 174.900 0.052 0.000 1.004 257 G CA -0.007 45.118 45.100 0.041 0.000 0.671 257 G HN 0.382 nan 8.290 nan 0.000 0.512 258 G N 0.624 109.461 108.800 0.062 0.000 2.402 258 G HA2 0.229 4.188 3.960 -0.002 0.000 0.216 258 G HA3 0.229 4.188 3.960 -0.002 0.000 0.216 258 G C 1.968 176.915 174.900 0.078 0.000 1.162 258 G CA 2.475 47.623 45.100 0.080 0.000 0.777 258 G HN 1.520 nan 8.290 nan 0.000 0.539 259 A N 1.022 123.884 122.820 0.070 0.000 1.877 259 A HA 0.012 4.331 4.320 -0.002 0.000 0.216 259 A C 2.187 179.804 177.584 0.055 0.000 1.186 259 A CA 2.082 54.158 52.037 0.064 0.000 0.620 259 A CB -0.395 18.640 19.000 0.058 0.000 0.822 259 A HN 0.356 nan 8.150 nan 0.000 0.443 260 E N -0.457 119.772 120.200 0.049 0.000 2.085 260 E HA -0.185 4.163 4.350 -0.002 0.000 0.194 260 E C 1.883 178.511 176.600 0.046 0.000 0.994 260 E CA 1.263 57.688 56.400 0.043 0.000 0.801 260 E CB -0.352 29.371 29.700 0.037 0.000 0.743 260 E HN 0.520 nan 8.360 nan 0.000 0.453 261 L N 0.634 121.888 121.223 0.053 0.000 2.017 261 L HA -0.129 4.210 4.340 -0.002 0.000 0.208 261 L C 2.110 179.016 176.870 0.060 0.000 1.073 261 L CA 2.110 56.984 54.840 0.056 0.000 0.745 261 L CB -0.879 41.218 42.059 0.064 0.000 0.894 261 L HN 0.119 nan 8.230 nan 0.000 0.432 262 A N -0.378 122.482 122.820 0.067 0.000 1.892 262 A HA -0.177 4.141 4.320 -0.002 0.000 0.218 262 A C 2.351 179.972 177.584 0.061 0.000 1.188 262 A CA 1.953 54.032 52.037 0.071 0.000 0.631 262 A CB -1.711 17.333 19.000 0.074 0.000 0.822 262 A HN 0.561 nan 8.150 nan 0.000 0.447 263 G N -0.681 108.151 108.800 0.052 0.000 2.408 263 G HA2 -0.200 3.759 3.960 -0.002 0.000 0.217 263 G HA3 -0.200 3.759 3.960 -0.002 0.000 0.217 263 G C 1.664 176.589 174.900 0.041 0.000 1.150 263 G CA 1.052 46.179 45.100 0.045 0.000 0.776 263 G HN 0.595 nan 8.290 nan 0.000 0.542 264 K N -0.123 120.301 120.400 0.041 0.000 2.097 264 K HA 0.095 4.414 4.320 -0.002 0.000 0.206 264 K C 2.083 178.705 176.600 0.037 0.000 1.049 264 K CA 0.662 56.970 56.287 0.036 0.000 0.933 264 K CB -0.199 32.322 32.500 0.035 0.000 0.717 264 K HN 0.270 nan 8.250 nan 0.000 0.442 265 L N 0.703 121.953 121.223 0.045 0.000 2.591 265 L HA 0.080 4.419 4.340 -0.002 0.000 0.228 265 L C -0.095 176.806 176.870 0.051 0.000 1.133 265 L CA 0.031 54.899 54.840 0.046 0.000 0.880 265 L CB -0.220 41.871 42.059 0.053 0.000 1.033 265 L HN 0.120 nan 8.230 nan 0.000 0.450 266 K N 0.452 120.882 120.400 0.051 0.000 3.148 266 K HA -0.196 4.123 4.320 -0.002 0.000 0.267 266 K C 0.459 177.103 176.600 0.074 0.000 0.996 266 K CA 0.264 56.584 56.287 0.055 0.000 0.737 266 K CB -1.347 31.180 32.500 0.046 0.000 1.308 266 K HN 0.410 nan 8.250 nan 0.000 0.470 267 A N 0.143 123.012 122.820 0.082 0.000 2.448 267 A HA 0.155 4.473 4.320 -0.002 0.000 0.239 267 A C 1.427 179.080 177.584 0.115 0.000 1.080 267 A CA 0.313 52.415 52.037 0.107 0.000 0.779 267 A CB 0.897 19.958 19.000 0.102 0.000 1.026 267 A HN 0.261 nan 8.150 nan 0.000 0.499 268 V N 1.162 121.170 119.914 0.157 0.000 2.515 268 V HA 0.044 4.163 4.120 -0.002 0.000 0.250 268 V C 0.979 177.125 176.094 0.085 0.000 1.058 268 V CA 2.427 64.819 62.300 0.153 0.000 1.064 268 V CB -0.404 31.569 31.823 0.251 0.000 0.675 268 V HN 1.430 nan 8.190 nan 0.000 0.461 269 S N -1.162 114.574 115.700 0.059 0.000 2.570 269 S HA 0.804 5.273 4.470 -0.002 0.000 0.270 269 S C -0.812 173.814 174.600 0.043 0.000 1.149 269 S CA -0.181 58.040 58.200 0.034 0.000 0.837 269 S CB 1.819 65.015 63.200 -0.007 0.000 1.124 269 S HN 0.984 nan 8.310 nan 0.000 0.465 270 A N 1.447 124.294 122.820 0.046 0.000 2.330 270 A HA 0.795 5.114 4.320 -0.002 0.000 0.313 270 A C -1.408 176.205 177.584 0.048 0.000 1.124 270 A CA -0.615 51.457 52.037 0.058 0.000 0.774 270 A CB 0.784 19.823 19.000 0.064 0.000 1.198 270 A HN 0.789 nan 8.150 nan 0.000 0.465 271 D N 0.390 120.815 120.400 0.043 0.000 2.340 271 D HA 0.628 5.267 4.640 -0.002 0.000 0.240 271 D C 0.709 177.054 176.300 0.074 0.000 1.001 271 D CA 0.248 54.260 54.000 0.020 0.000 0.888 271 D CB 1.074 41.891 40.800 0.029 0.000 1.310 271 D HN 0.665 nan 8.370 nan 0.000 0.474 272 H N 1.136 120.143 119.070 -0.104 0.000 4.699 272 H HA -0.218 4.336 4.556 -0.002 0.000 0.060 272 H C 0.259 175.577 175.328 -0.016 0.000 0.622 272 H CA 1.352 57.354 56.048 -0.076 0.000 0.904 272 H CB -0.677 29.060 29.762 -0.041 0.000 0.425 272 H HN 0.421 nan 8.280 nan 0.000 0.815 273 L N 0.129 121.519 121.223 0.279 0.000 4.001 273 L HA -0.197 4.141 4.340 -0.002 0.000 0.413 273 L C 2.125 179.097 176.870 0.170 0.000 1.185 273 L CA 1.275 56.219 54.840 0.174 0.000 0.963 273 L CB -2.858 39.262 42.059 0.101 0.000 1.976 273 L HN 0.354 nan 8.230 nan 0.000 0.939 274 V N -0.451 119.628 119.914 0.276 0.000 2.407 274 V HA -0.148 3.970 4.120 -0.002 0.000 0.248 274 V C 2.131 178.287 176.094 0.105 0.000 1.055 274 V CA 2.437 64.835 62.300 0.163 0.000 1.049 274 V CB -0.261 31.674 31.823 0.186 0.000 0.662 274 V HN 0.661 nan 8.190 nan 0.000 0.455 275 G N -1.167 107.691 108.800 0.096 0.000 3.523 275 G HA2 0.113 4.071 3.960 -0.002 0.000 0.270 275 G HA3 0.113 4.071 3.960 -0.002 0.000 0.270 275 G C 0.497 175.430 174.900 0.055 0.000 1.134 275 G CA 0.252 45.389 45.100 0.061 0.000 0.825 275 G HN 0.362 nan 8.290 nan 0.000 0.534 276 T N 1.145 115.738 114.554 0.064 0.000 2.898 276 T HA 0.414 4.763 4.350 -0.002 0.000 0.301 276 T C 1.176 175.903 174.700 0.045 0.000 1.049 276 T CA 0.171 62.304 62.100 0.056 0.000 1.095 276 T CB 0.699 69.605 68.868 0.062 0.000 0.976 276 T HN 0.366 nan 8.240 nan 0.000 0.539 277 S N 3.069 118.792 115.700 0.039 0.000 2.686 277 S HA 0.291 4.760 4.470 -0.002 0.000 0.270 277 S C 0.793 175.412 174.600 0.031 0.000 1.194 277 S CA -0.679 57.541 58.200 0.032 0.000 0.990 277 S CB 0.649 63.865 63.200 0.028 0.000 1.029 277 S HN 0.689 nan 8.310 nan 0.000 0.560 278 D N 0.660 121.076 120.400 0.026 0.000 2.178 278 D HA -0.022 4.617 4.640 -0.002 0.000 0.202 278 D C 1.726 178.040 176.300 0.023 0.000 0.974 278 D CA 1.170 55.185 54.000 0.024 0.000 0.841 278 D CB -0.356 40.456 40.800 0.021 0.000 0.953 278 D HN 0.620 nan 8.370 nan 0.000 0.478 279 E N 0.289 120.503 120.200 0.023 0.000 2.110 279 E HA -0.047 4.301 4.350 -0.002 0.000 0.193 279 E C 2.185 178.801 176.600 0.027 0.000 0.988 279 E CA 1.120 57.534 56.400 0.023 0.000 0.804 279 E CB -0.745 28.968 29.700 0.022 0.000 0.745 279 E HN 0.307 nan 8.360 nan 0.000 0.458 280 G N 0.705 109.523 108.800 0.031 0.000 2.418 280 G HA2 -0.226 3.732 3.960 -0.002 0.000 0.217 280 G HA3 -0.226 3.732 3.960 -0.002 0.000 0.217 280 G C 1.650 176.571 174.900 0.034 0.000 1.158 280 G CA 0.730 45.852 45.100 0.036 0.000 0.771 280 G HN 0.201 nan 8.290 nan 0.000 0.545 281 I N 0.235 120.824 120.570 0.032 0.000 2.226 281 I HA -0.142 4.027 4.170 -0.002 0.000 0.245 281 I C 2.718 178.850 176.117 0.024 0.000 1.100 281 I CA 1.340 62.658 61.300 0.029 0.000 1.374 281 I CB -0.172 37.845 38.000 0.028 0.000 1.057 281 I HN 0.141 nan 8.210 nan 0.000 0.413 282 K N 0.986 121.399 120.400 0.022 0.000 2.148 282 K HA -0.229 4.090 4.320 -0.002 0.000 0.204 282 K C 2.146 178.757 176.600 0.019 0.000 1.050 282 K CA 1.299 57.597 56.287 0.018 0.000 0.942 282 K CB 0.103 32.613 32.500 0.017 0.000 0.724 282 K HN -0.062 nan 8.250 nan 0.000 0.446 283 K N 0.898 121.312 120.400 0.023 0.000 2.103 283 K HA -0.023 4.296 4.320 -0.002 0.000 0.204 283 K C 1.832 178.448 176.600 0.027 0.000 1.052 283 K CA 1.021 57.323 56.287 0.025 0.000 0.945 283 K CB -0.104 32.413 32.500 0.029 0.000 0.722 283 K HN 0.101 nan 8.250 nan 0.000 0.443 284 L N -0.222 121.018 121.223 0.029 0.000 1.994 284 L HA -0.149 4.190 4.340 -0.002 0.000 0.208 284 L C 2.442 179.326 176.870 0.022 0.000 1.071 284 L CA 1.457 56.315 54.840 0.030 0.000 0.745 284 L CB -0.727 41.352 42.059 0.033 0.000 0.892 284 L HN 0.222 nan 8.230 nan 0.000 0.431 285 A N -0.161 122.670 122.820 0.017 0.000 1.902 285 A HA -0.271 4.048 4.320 -0.002 0.000 0.217 285 A C 2.276 179.864 177.584 0.007 0.000 1.181 285 A CA 1.960 54.003 52.037 0.009 0.000 0.623 285 A CB -0.571 18.433 19.000 0.007 0.000 0.818 285 A HN 0.519 nan 8.150 nan 0.000 0.443 286 E N -0.225 119.982 120.200 0.011 0.000 2.106 286 E HA -0.080 4.269 4.350 -0.002 0.000 0.192 286 E C 1.840 178.448 176.600 0.013 0.000 0.984 286 E CA 1.011 57.418 56.400 0.011 0.000 0.806 286 E CB -0.216 29.492 29.700 0.013 0.000 0.750 286 E HN 0.527 nan 8.360 nan 0.000 0.458 287 A N -0.177 122.654 122.820 0.018 0.000 2.178 287 A HA 0.267 4.586 4.320 -0.002 0.000 0.211 287 A C 1.768 179.366 177.584 0.023 0.000 1.157 287 A CA 0.898 52.949 52.037 0.023 0.000 0.780 287 A CB -0.208 18.810 19.000 0.030 0.000 0.828 287 A HN 0.495 nan 8.150 nan 0.000 0.476 288 G N -1.125 107.684 108.800 0.016 0.000 2.143 288 G HA2 -0.227 3.731 3.960 -0.002 0.000 0.249 288 G HA3 -0.227 3.731 3.960 -0.002 0.000 0.249 288 G C 0.336 175.251 174.900 0.024 0.000 0.981 288 G CA 0.445 45.551 45.100 0.010 0.000 0.665 288 G HN 0.582 nan 8.290 nan 0.000 0.528 289 T N 1.486 116.060 114.554 0.033 0.000 2.799 289 T HA 0.442 4.791 4.350 -0.002 0.000 0.296 289 T C 1.135 175.858 174.700 0.038 0.000 0.947 289 T CA 0.043 62.170 62.100 0.045 0.000 1.141 289 T CB 0.768 69.665 68.868 0.049 0.000 0.891 289 T HN 0.319 nan 8.240 nan 0.000 0.533 290 I N 2.916 123.512 120.570 0.044 0.000 2.533 290 I HA 0.261 4.430 4.170 -0.002 0.000 0.284 290 I C 0.853 176.991 176.117 0.034 0.000 1.109 290 I CA -0.467 60.855 61.300 0.037 0.000 1.412 290 I CB 0.580 38.611 38.000 0.051 0.000 1.396 290 I HN 0.590 nan 8.210 nan 0.000 0.543 291 A N 7.490 130.327 122.820 0.029 0.000 2.316 291 A HA 0.481 4.799 4.320 -0.002 0.000 0.311 291 A C -0.260 177.335 177.584 0.019 0.000 1.339 291 A CA -0.428 51.626 52.037 0.028 0.000 0.960 291 A CB 0.110 19.127 19.000 0.028 0.000 1.152 291 A HN 0.495 nan 8.150 nan 0.000 0.547 292 V N 5.259 125.182 119.914 0.014 0.000 2.368 292 V HA 0.193 4.312 4.120 -0.002 0.000 0.266 292 V C 0.207 176.273 176.094 -0.046 0.000 1.045 292 V CA -0.034 62.264 62.300 -0.004 0.000 0.899 292 V CB 0.376 32.209 31.823 0.017 0.000 1.006 292 V HN 0.719 nan 8.190 nan 0.000 0.470 293 L N 6.223 127.415 121.223 -0.052 0.000 2.334 293 L HA 0.537 4.876 4.340 -0.002 0.000 0.277 293 L C -0.243 176.545 176.870 -0.136 0.000 1.075 293 L CA -0.493 54.298 54.840 -0.081 0.000 0.804 293 L CB 1.181 43.220 42.059 -0.033 0.000 1.174 293 L HN 0.506 nan 8.230 nan 0.000 0.438 294 L N 4.383 125.475 121.223 -0.219 0.000 2.581 294 L HA 0.281 4.619 4.340 -0.002 0.000 0.241 294 L C -1.569 175.199 176.870 -0.171 0.000 1.265 294 L CA -1.209 53.487 54.840 -0.240 0.000 0.954 294 L CB 0.742 42.571 42.059 -0.383 0.000 1.269 294 L HN 0.413 nan 8.230 nan 0.000 0.475 295 P HA -0.135 nan 4.420 nan 0.000 0.222 295 P C 1.460 178.854 177.300 0.156 0.000 1.147 295 P CA 1.187 64.374 63.100 0.145 0.000 0.790 295 P CB 0.458 32.257 31.700 0.165 0.000 0.780 296 G N 0.082 108.918 108.800 0.061 0.000 2.408 296 G HA2 -0.186 3.772 3.960 -0.002 0.000 0.217 296 G HA3 -0.186 3.772 3.960 -0.002 0.000 0.217 296 G C 1.503 176.501 174.900 0.163 0.000 1.150 296 G CA 1.206 46.382 45.100 0.127 0.000 0.776 296 G HN 0.197 nan 8.290 nan 0.000 0.542 297 T N 0.912 115.465 114.554 -0.002 0.000 2.746 297 T HA -0.100 4.248 4.350 -0.002 0.000 0.267 297 T C 2.623 177.282 174.700 -0.069 0.000 1.039 297 T CA 1.716 63.787 62.100 -0.049 0.000 1.142 297 T CB -0.440 68.329 68.868 -0.167 0.000 0.866 297 T HN 0.264 nan 8.240 nan 0.000 0.444 298 T N 1.905 116.362 114.554 -0.162 0.000 2.708 298 T HA -0.042 4.307 4.350 -0.002 0.000 0.266 298 T C 1.553 176.112 174.700 -0.235 0.000 1.037 298 T CA 1.133 63.049 62.100 -0.307 0.000 1.146 298 T CB -0.512 67.952 68.868 -0.673 0.000 0.865 298 T HN 0.413 nan 8.240 nan 0.000 0.435 299 F N 0.910 120.744 119.950 -0.193 0.000 2.069 299 F HA -0.165 4.361 4.527 -0.002 0.000 0.298 299 F C 2.160 177.941 175.800 -0.031 0.000 1.113 299 F CA 1.120 59.083 58.000 -0.061 0.000 1.214 299 F CB -0.669 38.368 39.000 0.061 0.000 0.978 299 F HN 0.151 nan 8.300 nan 0.000 0.474 300 Y N 0.814 120.995 120.300 -0.198 0.000 2.274 300 Y HA -0.132 4.417 4.550 -0.002 0.000 0.290 300 Y C 1.949 177.679 175.900 -0.282 0.000 1.145 300 Y CA 1.594 59.517 58.100 -0.294 0.000 1.203 300 Y CB -0.448 37.977 38.460 -0.058 0.000 0.984 300 Y HN 0.132 nan 8.280 nan 0.000 0.533 301 L N -0.664 120.445 121.223 -0.190 0.000 2.551 301 L HA 0.020 4.359 4.340 -0.002 0.000 0.228 301 L C 1.658 178.367 176.870 -0.267 0.000 1.153 301 L CA 0.916 55.631 54.840 -0.208 0.000 0.851 301 L CB -0.794 41.173 42.059 -0.153 0.000 0.959 301 L HN 0.487 nan 8.230 nan 0.000 0.451 302 G N 0.365 108.949 108.800 -0.360 0.000 2.149 302 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.235 302 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.235 302 G C 0.172 174.940 174.900 -0.219 0.000 1.018 302 G CA -0.043 44.861 45.100 -0.327 0.000 0.728 302 G HN 0.350 nan 8.290 nan 0.000 0.508 303 K N -0.496 119.771 120.400 -0.221 0.000 2.139 303 K HA 0.679 4.998 4.320 -0.002 0.000 0.243 303 K C 0.836 177.334 176.600 -0.169 0.000 0.983 303 K CA -0.254 55.924 56.287 -0.181 0.000 0.890 303 K CB 1.457 33.840 32.500 -0.195 0.000 1.090 303 K HN 0.048 nan 8.250 nan 0.000 0.445 304 S N -0.057 115.588 115.700 -0.090 0.000 2.506 304 S HA 0.023 4.491 4.470 -0.002 0.000 0.219 304 S C 0.139 174.802 174.600 0.104 0.000 1.031 304 S CA 0.038 58.265 58.200 0.046 0.000 0.911 304 S CB 0.634 63.874 63.200 0.066 0.000 0.812 304 S HN 0.551 nan 8.310 nan 0.000 0.497 305 T N 3.164 117.705 114.554 -0.022 0.000 2.727 305 T HA 0.445 4.794 4.350 -0.002 0.000 0.298 305 T C -0.802 173.859 174.700 -0.065 0.000 0.942 305 T CA -0.075 62.048 62.100 0.038 0.000 0.997 305 T CB 0.072 68.952 68.868 0.019 0.000 0.917 305 T HN 0.109 nan 8.240 nan 0.000 0.487 306 Y N 1.357 121.676 120.300 0.032 0.000 2.458 306 Y HA 0.570 5.119 4.550 -0.002 0.000 0.322 306 Y C 0.908 176.820 175.900 0.020 0.000 1.259 306 Y CA -1.345 56.767 58.100 0.020 0.000 1.302 306 Y CB 0.535 39.017 38.460 0.035 0.000 1.314 306 Y HN 0.708 nan 8.280 nan 0.000 0.509 307 A N 1.144 124.054 122.820 0.151 0.000 2.520 307 A HA 0.189 4.507 4.320 -0.002 0.000 0.235 307 A C 0.123 177.768 177.584 0.101 0.000 1.065 307 A CA -0.518 51.576 52.037 0.096 0.000 0.764 307 A CB -0.081 18.953 19.000 0.058 0.000 1.002 307 A HN 0.825 nan 8.150 nan 0.000 0.502 308 R N 2.608 123.153 120.500 0.074 0.000 3.710 308 R HA 0.245 4.583 4.340 -0.002 0.000 0.201 308 R C 1.284 177.611 176.300 0.044 0.000 1.641 308 R CA 0.401 56.536 56.100 0.059 0.000 1.390 308 R CB -0.175 30.155 30.300 0.050 0.000 1.341 308 R HN 0.771 nan 8.270 nan 0.000 0.728 309 A N 1.588 124.433 122.820 0.042 0.000 1.902 309 A HA -0.230 4.088 4.320 -0.002 0.000 0.217 309 A C 2.172 179.768 177.584 0.020 0.000 1.181 309 A CA 1.289 53.343 52.037 0.027 0.000 0.623 309 A CB -0.174 18.838 19.000 0.020 0.000 0.818 309 A HN 0.394 nan 8.150 nan 0.000 0.443 310 R N 0.289 120.800 120.500 0.017 0.000 2.081 310 R HA -0.027 4.312 4.340 -0.002 0.000 0.235 310 R C 2.154 178.463 176.300 0.015 0.000 1.131 310 R CA 1.994 58.102 56.100 0.013 0.000 0.960 310 R CB -1.040 29.265 30.300 0.009 0.000 0.856 310 R HN 0.392 nan 8.270 nan 0.000 0.436 311 A N 0.203 123.035 122.820 0.020 0.000 1.902 311 A HA -0.159 4.160 4.320 -0.002 0.000 0.217 311 A C 2.306 179.901 177.584 0.019 0.000 1.181 311 A CA 1.817 53.866 52.037 0.019 0.000 0.623 311 A CB -0.490 18.524 19.000 0.024 0.000 0.818 311 A HN 0.410 nan 8.150 nan 0.000 0.443 312 M N -0.730 118.883 119.600 0.021 0.000 2.086 312 M HA -0.121 4.357 4.480 -0.002 0.000 0.261 312 M C 2.134 178.443 176.300 0.014 0.000 1.067 312 M CA 1.708 57.019 55.300 0.020 0.000 1.116 312 M CB -0.538 32.075 32.600 0.023 0.000 1.348 312 M HN 0.403 nan 8.290 nan 0.000 0.407 313 I N 0.045 120.623 120.570 0.014 0.000 2.226 313 I HA -0.301 3.867 4.170 -0.002 0.000 0.245 313 I C 1.777 177.898 176.117 0.007 0.000 1.100 313 I CA 1.102 62.408 61.300 0.010 0.000 1.374 313 I CB -0.645 37.363 38.000 0.013 0.000 1.057 313 I HN 0.267 nan 8.210 nan 0.000 0.413 314 D N 0.485 120.890 120.400 0.009 0.000 2.218 314 D HA -0.202 4.437 4.640 -0.002 0.000 0.204 314 D C 1.890 178.194 176.300 0.006 0.000 0.976 314 D CA 1.125 55.129 54.000 0.008 0.000 0.853 314 D CB -0.107 40.699 40.800 0.009 0.000 0.939 314 D HN 0.270 nan 8.370 nan 0.000 0.481 315 E N -0.472 119.733 120.200 0.008 0.000 2.479 315 E HA 0.156 4.505 4.350 -0.002 0.000 0.193 315 E C 1.012 177.614 176.600 0.004 0.000 1.049 315 E CA 0.505 56.910 56.400 0.007 0.000 0.870 315 E CB -0.027 29.680 29.700 0.011 0.000 0.944 315 E HN 0.192 nan 8.360 nan 0.000 0.492 316 G N -0.211 108.589 108.800 0.000 0.000 2.131 316 G HA2 -0.230 3.728 3.960 -0.002 0.000 0.223 316 G HA3 -0.230 3.728 3.960 -0.002 0.000 0.223 316 G C 0.116 175.012 174.900 -0.007 0.000 0.990 316 G CA 0.227 45.323 45.100 -0.006 0.000 0.671 316 G HN 0.184 nan 8.290 nan 0.000 0.521 317 V N 0.354 120.267 119.914 -0.001 0.000 2.775 317 V HA 0.367 4.486 4.120 -0.002 0.000 0.299 317 V C 1.218 177.309 176.094 -0.004 0.000 1.062 317 V CA -0.296 62.005 62.300 0.002 0.000 1.063 317 V CB 1.523 33.353 31.823 0.012 0.000 0.994 317 V HN 0.418 nan 8.190 nan 0.000 0.483 318 C N 5.064 124.359 119.300 -0.007 0.000 2.281 318 C HA 0.496 4.954 4.460 -0.002 0.000 0.336 318 C C 0.362 175.357 174.990 0.008 0.000 1.217 318 C CA -0.745 58.266 59.018 -0.013 0.000 1.730 318 C CB -0.386 27.336 27.740 -0.029 0.000 2.338 318 C HN 0.625 nan 8.230 nan 0.000 0.521 319 V N 3.921 123.843 119.914 0.014 0.000 2.539 319 V HA 0.693 4.812 4.120 -0.002 0.000 0.292 319 V C 0.282 176.395 176.094 0.033 0.000 1.045 319 V CA 0.130 62.443 62.300 0.022 0.000 0.945 319 V CB 1.911 33.746 31.823 0.020 0.000 0.993 319 V HN 0.910 nan 8.190 nan 0.000 0.464 320 S N 3.404 119.120 115.700 0.027 0.000 2.697 320 S HA 0.885 5.354 4.470 -0.002 0.000 0.289 320 S C -1.262 173.341 174.600 0.006 0.000 1.149 320 S CA -0.597 57.622 58.200 0.031 0.000 0.850 320 S CB 1.499 64.724 63.200 0.042 0.000 1.151 320 S HN 0.520 nan 8.310 nan 0.000 0.491 321 L N 0.986 122.209 121.223 -0.000 0.000 2.327 321 L HA 0.994 5.333 4.340 -0.002 0.000 0.258 321 L C -0.499 176.358 176.870 -0.022 0.000 1.024 321 L CA -0.880 53.944 54.840 -0.026 0.000 0.825 321 L CB 2.069 44.105 42.059 -0.040 0.000 1.386 321 L HN 0.855 nan 8.230 nan 0.000 0.417 322 A N -0.701 122.093 122.820 -0.044 0.000 2.601 322 A HA 0.532 4.851 4.320 -0.002 0.000 0.291 322 A C 0.111 177.673 177.584 -0.036 0.000 1.075 322 A CA 0.217 52.241 52.037 -0.022 0.000 0.671 322 A CB 1.159 20.160 19.000 0.001 0.000 1.277 322 A HN 0.796 nan 8.150 nan 0.000 0.417 323 T N -2.262 112.299 114.554 0.011 0.000 2.942 323 T HA 0.134 4.483 4.350 -0.002 0.000 0.265 323 T C 0.655 175.379 174.700 0.041 0.000 1.062 323 T CA 1.588 63.703 62.100 0.025 0.000 1.139 323 T CB -0.274 68.632 68.868 0.064 0.000 0.883 323 T HN 1.586 nan 8.240 nan 0.000 0.468 324 D N -0.100 120.345 120.400 0.075 0.000 2.870 324 D HA -0.204 4.434 4.640 -0.002 0.000 0.228 324 D C -0.505 175.921 176.300 0.210 0.000 1.147 324 D CA 0.126 54.199 54.000 0.121 0.000 0.757 324 D CB -2.365 38.370 40.800 -0.109 0.000 1.091 324 D HN 0.508 nan 8.370 nan 0.000 0.429 325 F N 1.650 121.655 119.950 0.092 0.000 2.473 325 F HA 0.202 4.728 4.527 -0.002 0.000 0.405 325 F C 0.576 176.435 175.800 0.099 0.000 0.988 325 F CA 0.780 58.811 58.000 0.051 0.000 1.096 325 F CB -0.337 38.705 39.000 0.070 0.000 0.944 325 F HN 0.337 nan 8.300 nan 0.000 0.530 326 N N 5.853 124.174 118.700 -0.630 0.000 2.745 326 N HA 0.387 5.125 4.740 -0.002 0.000 0.256 326 N C -2.858 172.129 175.510 -0.873 0.000 1.268 326 N CA -1.448 51.159 53.050 -0.737 0.000 0.887 326 N CB 1.711 39.948 38.487 -0.417 0.000 1.575 326 N HN 0.090 nan 8.380 nan 0.000 0.496 327 P HA 0.006 nan 4.420 nan 0.000 0.226 327 P C 0.802 177.836 177.300 -0.443 0.000 1.153 327 P CA 1.281 63.860 63.100 -0.868 0.000 0.777 327 P CB 0.072 31.079 31.700 -1.155 0.000 0.794 328 G N 0.531 109.125 108.800 -0.342 0.000 2.486 328 G HA2 -0.081 3.878 3.960 -0.002 0.000 0.210 328 G HA3 -0.081 3.878 3.960 -0.002 0.000 0.210 328 G C 1.446 176.366 174.900 0.034 0.000 1.168 328 G CA 0.857 45.902 45.100 -0.092 0.000 0.820 328 G HN 0.443 nan 8.290 nan 0.000 0.544 329 S N -2.090 113.558 115.700 -0.087 0.000 2.666 329 S HA 0.439 4.907 4.470 -0.002 0.000 0.239 329 S C 0.495 175.003 174.600 -0.152 0.000 1.031 329 S CA 0.545 58.724 58.200 -0.035 0.000 1.015 329 S CB 0.709 63.779 63.200 -0.218 0.000 0.981 329 S HN 0.214 nan 8.310 nan 0.000 0.547 330 S N 3.016 118.475 115.700 -0.402 0.000 2.849 330 S HA 0.322 4.790 4.470 -0.002 0.000 0.141 330 S C -3.194 171.200 174.600 -0.345 0.000 1.109 330 S CA -0.639 57.322 58.200 -0.399 0.000 1.106 330 S CB 1.006 64.126 63.200 -0.135 0.000 1.637 330 S HN 0.214 nan 8.310 nan 0.000 0.457 331 P HA 0.254 nan 4.420 nan 0.000 0.237 331 P C -0.454 176.913 177.300 0.112 0.000 1.788 331 P CA 0.150 63.154 63.100 -0.160 0.000 1.061 331 P CB 0.052 31.601 31.700 -0.253 0.000 1.967 332 T N 0.783 115.492 114.554 0.258 0.000 2.993 332 T HA 0.291 4.639 4.350 -0.002 0.000 0.312 332 T C 0.310 174.940 174.700 -0.116 0.000 1.115 332 T CA -0.344 61.784 62.100 0.046 0.000 1.027 332 T CB 1.463 70.319 68.868 -0.019 0.000 1.116 332 T HN -0.064 nan 8.240 nan 0.000 0.464 333 E N 2.165 122.129 120.200 -0.392 0.000 2.476 333 E HA 0.194 4.542 4.350 -0.002 0.000 0.199 333 E C 0.567 176.889 176.600 -0.464 0.000 1.021 333 E CA -0.036 56.060 56.400 -0.507 0.000 0.907 333 E CB 0.210 29.580 29.700 -0.550 0.000 0.974 333 E HN 0.595 nan 8.360 nan 0.000 0.489 334 N N 1.501 119.853 118.700 -0.580 0.000 2.549 334 N HA -0.005 4.734 4.740 -0.002 0.000 0.267 334 N C 0.691 176.034 175.510 -0.278 0.000 1.182 334 N CA -0.180 52.435 53.050 -0.725 0.000 1.019 334 N CB 0.182 38.244 38.487 -0.710 0.000 1.380 334 N HN 0.047 nan 8.380 nan 0.000 0.505 335 I N 3.151 123.634 120.570 -0.146 0.000 2.567 335 I HA -0.228 3.941 4.170 -0.002 0.000 0.257 335 I C 1.866 177.971 176.117 -0.021 0.000 1.184 335 I CA 1.483 62.757 61.300 -0.042 0.000 1.451 335 I CB 0.025 38.039 38.000 0.023 0.000 1.089 335 I HN 0.624 nan 8.210 nan 0.000 0.441 336 Q N -0.648 119.177 119.800 0.042 0.000 2.123 336 Q HA -0.160 4.179 4.340 -0.002 0.000 0.199 336 Q C 2.115 178.117 176.000 0.003 0.000 0.966 336 Q CA 1.419 57.261 55.803 0.064 0.000 0.845 336 Q CB -0.275 28.610 28.738 0.245 0.000 0.907 336 Q HN 0.481 nan 8.270 nan 0.000 0.439 337 L N 0.644 121.854 121.223 -0.022 0.000 2.093 337 L HA -0.150 4.189 4.340 -0.002 0.000 0.208 337 L C 1.853 178.672 176.870 -0.084 0.000 1.085 337 L CA 1.397 56.212 54.840 -0.042 0.000 0.755 337 L CB -0.340 41.676 42.059 -0.072 0.000 0.904 337 L HN 0.171 nan 8.230 nan 0.000 0.435 338 I N -0.535 119.983 120.570 -0.086 0.000 2.208 338 I HA -0.321 3.847 4.170 -0.002 0.000 0.245 338 I C 2.539 178.597 176.117 -0.100 0.000 1.097 338 I CA 1.686 62.936 61.300 -0.084 0.000 1.363 338 I CB -1.104 36.855 38.000 -0.069 0.000 1.051 338 I HN 0.364 nan 8.210 nan 0.000 0.413 339 M N -0.028 119.500 119.600 -0.121 0.000 2.117 339 M HA -0.191 4.288 4.480 -0.002 0.000 0.262 339 M C 2.428 178.640 176.300 -0.145 0.000 1.065 339 M CA 1.690 56.885 55.300 -0.174 0.000 1.114 339 M CB -0.401 32.034 32.600 -0.275 0.000 1.361 339 M HN 0.110 nan 8.290 nan 0.000 0.408 340 S N 0.678 116.312 115.700 -0.110 0.000 2.368 340 S HA -0.038 4.431 4.470 -0.002 0.000 0.224 340 S C 1.811 176.326 174.600 -0.142 0.000 1.029 340 S CA 1.090 59.224 58.200 -0.110 0.000 0.988 340 S CB -0.382 62.784 63.200 -0.057 0.000 0.838 340 S HN 0.386 nan 8.310 nan 0.000 0.462 341 I N 1.799 122.290 120.570 -0.133 0.000 2.286 341 I HA -0.203 3.965 4.170 -0.002 0.000 0.248 341 I C 2.668 178.713 176.117 -0.121 0.000 1.115 341 I CA 1.010 62.241 61.300 -0.116 0.000 1.392 341 I CB -0.492 37.440 38.000 -0.114 0.000 1.065 341 I HN 0.256 nan 8.210 nan 0.000 0.418 342 A N 0.840 123.595 122.820 -0.110 0.000 1.902 342 A HA -0.158 4.161 4.320 -0.002 0.000 0.217 342 A C 2.547 180.059 177.584 -0.120 0.000 1.181 342 A CA 1.914 53.891 52.037 -0.100 0.000 0.623 342 A CB -0.731 18.217 19.000 -0.088 0.000 0.818 342 A HN 0.432 nan 8.150 nan 0.000 0.443 343 A N -0.322 122.420 122.820 -0.130 0.000 1.872 343 A HA 0.054 4.373 4.320 -0.002 0.000 0.214 343 A C 2.122 179.594 177.584 -0.187 0.000 1.187 343 A CA 1.431 53.392 52.037 -0.127 0.000 0.614 343 A CB -0.553 18.383 19.000 -0.107 0.000 0.826 343 A HN 0.458 nan 8.150 nan 0.000 0.442 344 L N -1.986 119.084 121.223 -0.255 0.000 2.240 344 L HA -0.023 4.316 4.340 -0.002 0.000 0.211 344 L C 2.161 178.594 176.870 -0.729 0.000 1.106 344 L CA 0.905 55.482 54.840 -0.437 0.000 0.793 344 L CB -0.340 41.448 42.059 -0.452 0.000 0.927 344 L HN 0.471 nan 8.230 nan 0.000 0.446 345 H N -1.692 117.147 119.070 -0.384 0.000 3.205 345 H HA 0.263 4.817 4.556 -0.002 0.000 0.252 345 H C 1.848 176.896 175.328 -0.467 0.000 1.015 345 H CA 0.196 55.885 56.048 -0.598 0.000 1.192 345 H CB 1.020 30.019 29.762 -1.271 0.000 1.474 345 H HN 0.213 nan 8.280 nan 0.000 0.484 346 L N 0.874 121.969 121.223 -0.213 0.000 2.607 346 L HA 0.045 4.384 4.340 -0.002 0.000 0.228 346 L C 0.306 177.133 176.870 -0.072 0.000 1.123 346 L CA 0.144 54.933 54.840 -0.085 0.000 0.890 346 L CB 0.232 42.268 42.059 -0.040 0.000 1.103 346 L HN -0.056 nan 8.230 nan 0.000 0.468 347 K N 0.073 120.404 120.400 -0.115 0.000 3.071 347 K HA -0.184 4.134 4.320 -0.002 0.000 0.265 347 K C -0.208 176.361 176.600 -0.052 0.000 1.060 347 K CA 1.135 57.369 56.287 -0.089 0.000 0.767 347 K CB -2.132 30.328 32.500 -0.066 0.000 1.241 347 K HN 0.378 nan 8.250 nan 0.000 0.486 348 M N 0.306 119.876 119.600 -0.051 0.000 2.409 348 M HA 0.151 4.630 4.480 -0.002 0.000 0.329 348 M C 1.220 177.514 176.300 -0.011 0.000 1.180 348 M CA -0.396 54.892 55.300 -0.021 0.000 1.053 348 M CB 1.405 33.993 32.600 -0.019 0.000 1.586 348 M HN 0.248 nan 8.290 nan 0.000 0.461 349 T N -0.807 113.760 114.554 0.022 0.000 2.849 349 T HA 0.458 4.806 4.350 -0.002 0.000 0.284 349 T C 1.098 175.847 174.700 0.081 0.000 1.004 349 T CA -0.370 61.759 62.100 0.049 0.000 1.021 349 T CB 1.188 70.100 68.868 0.072 0.000 1.013 349 T HN 0.710 nan 8.240 nan 0.000 0.527 350 A N 1.022 123.921 122.820 0.132 0.000 1.908 350 A HA -0.102 4.217 4.320 -0.002 0.000 0.218 350 A C 2.174 179.955 177.584 0.328 0.000 1.181 350 A CA 1.903 54.081 52.037 0.235 0.000 0.627 350 A CB -1.084 18.119 19.000 0.339 0.000 0.818 350 A HN 0.928 nan 8.150 nan 0.000 0.445 351 E N 0.217 120.577 120.200 0.266 0.000 2.051 351 E HA -0.167 4.181 4.350 -0.002 0.000 0.192 351 E C 1.950 178.651 176.600 0.168 0.000 0.991 351 E CA 1.664 58.156 56.400 0.154 0.000 0.799 351 E CB -0.319 29.454 29.700 0.121 0.000 0.748 351 E HN 0.783 nan 8.360 nan 0.000 0.449 352 E N 0.180 120.479 120.200 0.164 0.000 2.110 352 E HA -0.145 4.204 4.350 -0.002 0.000 0.193 352 E C 2.142 178.814 176.600 0.120 0.000 0.988 352 E CA 0.888 57.386 56.400 0.163 0.000 0.804 352 E CB -0.187 29.570 29.700 0.095 0.000 0.745 352 E HN 0.271 nan 8.360 nan 0.000 0.458 353 I N -0.167 120.432 120.570 0.048 0.000 2.226 353 I HA -0.250 3.918 4.170 -0.002 0.000 0.245 353 I C 2.018 178.075 176.117 -0.100 0.000 1.100 353 I CA 1.238 62.499 61.300 -0.064 0.000 1.374 353 I CB -0.304 37.596 38.000 -0.166 0.000 1.057 353 I HN 0.212 nan 8.210 nan 0.000 0.413 354 W N 0.399 121.671 121.300 -0.047 0.000 2.358 354 W HA -0.187 4.472 4.660 -0.001 0.000 0.303 354 W C 2.793 179.266 176.519 -0.077 0.000 1.208 354 W CA 1.125 58.409 57.345 -0.102 0.000 1.274 354 W CB -0.446 28.877 29.460 -0.229 0.000 1.138 354 W HN 0.171 nan 8.180 nan 0.000 0.515 355 H N -0.712 118.487 119.070 0.216 0.000 2.423 355 H HA -0.032 4.523 4.556 -0.003 0.000 0.297 355 H C 2.155 177.547 175.328 0.107 0.000 1.075 355 H CA 1.615 57.748 56.048 0.143 0.000 1.342 355 H CB -0.888 28.929 29.762 0.091 0.000 1.395 355 H HN 0.185 nan 8.280 nan 0.000 0.530 356 A N 0.866 123.797 122.820 0.185 0.000 1.898 356 A HA -0.110 4.208 4.320 -0.002 0.000 0.216 356 A C 2.454 180.088 177.584 0.083 0.000 1.181 356 A CA 1.892 53.991 52.037 0.103 0.000 0.620 356 A CB -0.730 18.297 19.000 0.045 0.000 0.819 356 A HN 0.306 nan 8.150 nan 0.000 0.442 357 V N -2.283 117.666 119.914 0.058 0.000 3.623 357 V HA 0.101 4.219 4.120 -0.002 0.000 0.271 357 V C 1.288 177.460 176.094 0.128 0.000 1.248 357 V CA 1.582 63.915 62.300 0.055 0.000 1.156 357 V CB -1.238 30.566 31.823 -0.032 0.000 0.870 357 V HN 0.676 nan 8.190 nan 0.000 0.453 358 T N -2.872 111.787 114.554 0.176 0.000 3.409 358 T HA 0.189 4.538 4.350 -0.002 0.000 0.188 358 T C 1.535 176.353 174.700 0.196 0.000 0.929 358 T CA 0.932 63.153 62.100 0.201 0.000 1.184 358 T CB 0.043 69.060 68.868 0.248 0.000 1.570 358 T HN 0.047 nan 8.240 nan 0.000 0.367 359 V N 3.517 123.575 119.914 0.239 0.000 2.255 359 V HA -0.174 3.945 4.120 -0.002 0.000 0.247 359 V C 2.712 178.987 176.094 0.302 0.000 1.051 359 V CA 2.325 64.791 62.300 0.276 0.000 1.018 359 V CB -1.097 30.891 31.823 0.276 0.000 0.641 359 V HN 0.506 nan 8.190 nan 0.000 0.445 360 N N 0.366 119.196 118.700 0.216 0.000 2.244 360 N HA -0.069 4.670 4.740 -0.002 0.000 0.183 360 N C 1.826 177.435 175.510 0.165 0.000 1.016 360 N CA 1.531 54.686 53.050 0.175 0.000 0.866 360 N CB -0.532 38.017 38.487 0.104 0.000 0.980 360 N HN 0.502 nan 8.380 nan 0.000 0.430 361 A N 0.924 123.826 122.820 0.135 0.000 1.902 361 A HA 0.045 4.364 4.320 -0.002 0.000 0.217 361 A C 2.355 179.990 177.584 0.086 0.000 1.181 361 A CA 1.816 53.909 52.037 0.094 0.000 0.623 361 A CB -0.821 18.229 19.000 0.083 0.000 0.818 361 A HN 0.296 nan 8.150 nan 0.000 0.443 362 A N -1.333 121.549 122.820 0.104 0.000 1.877 362 A HA -0.120 4.198 4.320 -0.002 0.000 0.216 362 A C 2.093 179.676 177.584 -0.001 0.000 1.186 362 A CA 1.620 53.678 52.037 0.035 0.000 0.620 362 A CB -0.885 18.119 19.000 0.008 0.000 0.822 362 A HN 0.582 nan 8.150 nan 0.000 0.443 363 Y N -0.152 120.175 120.300 0.046 0.000 2.352 363 Y HA -0.042 4.507 4.550 -0.003 0.000 0.292 363 Y C 2.771 178.690 175.900 0.031 0.000 1.136 363 Y CA 0.827 58.954 58.100 0.046 0.000 1.227 363 Y CB -0.264 38.222 38.460 0.043 0.000 0.991 363 Y HN 0.342 nan 8.280 nan 0.000 0.545 364 A N 0.319 123.225 122.820 0.142 0.000 2.125 364 A HA -0.086 4.233 4.320 -0.002 0.000 0.219 364 A C 1.675 179.205 177.584 -0.090 0.000 1.156 364 A CA 1.586 53.647 52.037 0.040 0.000 0.671 364 A CB -1.076 17.937 19.000 0.022 0.000 0.794 364 A HN 0.621 nan 8.150 nan 0.000 0.459 365 I N -6.253 114.266 120.570 -0.084 0.000 3.833 365 I HA 0.545 4.714 4.170 -0.002 0.000 0.328 365 I C 0.867 177.020 176.117 0.060 0.000 1.554 365 I CA 0.251 61.419 61.300 -0.220 0.000 1.116 365 I CB 0.010 37.904 38.000 -0.178 0.000 1.182 365 I HN 0.249 nan 8.210 nan 0.000 0.459 366 G N 2.389 111.275 108.800 0.145 0.000 2.153 366 G HA2 -0.247 3.712 3.960 -0.002 0.000 0.252 366 G HA3 -0.247 3.712 3.960 -0.002 0.000 0.252 366 G C 0.474 175.384 174.900 0.016 0.000 0.994 366 G CA 0.195 45.399 45.100 0.174 0.000 0.698 366 G HN 0.386 nan 8.290 nan 0.000 0.521 367 K N 0.244 120.606 120.400 -0.064 0.000 2.514 367 K HA 0.308 4.627 4.320 -0.002 0.000 0.207 367 K C 2.117 178.561 176.600 -0.260 0.000 1.035 367 K CA 0.426 56.649 56.287 -0.107 0.000 1.113 367 K CB 0.347 32.826 32.500 -0.035 0.000 0.846 367 K HN 0.340 nan 8.250 nan 0.000 0.491 368 G N 1.401 109.843 108.800 -0.598 0.000 2.475 368 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.220 368 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.220 368 G C 1.131 175.670 174.900 -0.603 0.000 1.125 368 G CA 0.586 44.933 45.100 -1.255 0.000 0.755 368 G HN 0.372 nan 8.290 nan 0.000 0.565 369 E N -0.346 119.649 120.200 -0.341 0.000 2.479 369 E HA 0.082 4.430 4.350 -0.002 0.000 0.193 369 E C 1.669 178.229 176.600 -0.067 0.000 1.049 369 E CA 0.138 56.462 56.400 -0.125 0.000 0.870 369 E CB 0.313 29.972 29.700 -0.068 0.000 0.944 369 E HN 0.568 nan 8.360 nan 0.000 0.492 370 E N 0.043 120.196 120.200 -0.078 0.000 2.399 370 E HA 0.204 4.553 4.350 -0.002 0.000 0.205 370 E C 0.268 176.863 176.600 -0.008 0.000 0.906 370 E CA -0.024 56.358 56.400 -0.029 0.000 0.998 370 E CB 1.070 30.758 29.700 -0.019 0.000 1.002 370 E HN 0.050 nan 8.360 nan 0.000 0.501 371 A N -0.637 122.175 122.820 -0.015 0.000 2.486 371 A HA 0.649 4.968 4.320 -0.002 0.000 0.289 371 A C 0.668 178.282 177.584 0.050 0.000 1.176 371 A CA -0.077 51.974 52.037 0.023 0.000 0.757 371 A CB 0.899 19.918 19.000 0.032 0.000 1.337 371 A HN 0.188 nan 8.150 nan 0.000 0.423 372 G N -1.135 107.716 108.800 0.084 0.000 2.184 372 G HA2 -0.187 3.772 3.960 -0.002 0.000 0.264 372 G HA3 -0.187 3.772 3.960 -0.002 0.000 0.264 372 G C 0.015 174.995 174.900 0.133 0.000 0.975 372 G CA 0.905 46.081 45.100 0.126 0.000 0.642 372 G HN 0.949 nan 8.290 nan 0.000 0.536 373 Q N -1.075 118.786 119.800 0.102 0.000 2.345 373 Q HA 0.621 4.959 4.340 -0.002 0.000 0.275 373 Q C -0.614 175.428 176.000 0.070 0.000 1.063 373 Q CA -0.821 55.040 55.803 0.097 0.000 0.819 373 Q CB 2.094 30.894 28.738 0.103 0.000 1.356 373 Q HN 0.209 nan 8.270 nan 0.000 0.418 374 L N 3.724 124.985 121.223 0.064 0.000 2.360 374 L HA 0.463 4.802 4.340 -0.002 0.000 0.265 374 L C -0.451 176.446 176.870 0.046 0.000 1.066 374 L CA -0.206 54.660 54.840 0.043 0.000 0.929 374 L CB -0.061 42.017 42.059 0.032 0.000 1.306 374 L HN 0.524 nan 8.230 nan 0.000 0.434 375 K N 1.413 121.839 120.400 0.043 0.000 2.522 375 K HA 0.787 5.106 4.320 -0.002 0.000 0.275 375 K C -0.687 175.938 176.600 0.040 0.000 1.006 375 K CA -0.993 55.324 56.287 0.050 0.000 0.890 375 K CB 1.694 34.230 32.500 0.060 0.000 1.475 375 K HN 0.152 nan 8.250 nan 0.000 0.441 376 A N 0.348 123.200 122.820 0.053 0.000 2.584 376 A HA 0.357 4.676 4.320 -0.002 0.000 0.239 376 A C 1.314 178.923 177.584 0.042 0.000 1.043 376 A CA 1.400 53.469 52.037 0.052 0.000 0.756 376 A CB -1.417 17.629 19.000 0.076 0.000 0.963 376 A HN 1.468 nan 8.150 nan 0.000 0.511 377 G N 2.109 110.929 108.800 0.033 0.000 2.299 377 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.237 377 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.237 377 G C 0.560 175.470 174.900 0.017 0.000 1.027 377 G CA 0.260 45.376 45.100 0.027 0.000 0.619 377 G HN 0.851 nan 8.290 nan 0.000 0.513 378 R N 1.269 121.779 120.500 0.016 0.000 2.641 378 R HA 0.500 4.839 4.340 -0.002 0.000 0.269 378 R C 0.837 177.138 176.300 0.003 0.000 1.074 378 R CA 0.227 56.335 56.100 0.013 0.000 1.133 378 R CB 0.686 30.999 30.300 0.021 0.000 1.029 378 R HN 0.366 nan 8.270 nan 0.000 0.488 379 S N 0.696 116.398 115.700 0.003 0.000 2.552 379 S HA 0.109 4.578 4.470 -0.002 0.000 0.289 379 S C 0.236 174.831 174.600 -0.009 0.000 1.304 379 S CA -0.297 57.901 58.200 -0.004 0.000 1.063 379 S CB 0.374 63.575 63.200 0.001 0.000 0.848 379 S HN 0.575 nan 8.310 nan 0.000 0.499 380 A N 4.740 127.547 122.820 -0.022 0.000 2.981 380 A HA 0.275 4.594 4.320 -0.002 0.000 0.280 380 A C -0.575 176.995 177.584 -0.024 0.000 1.743 380 A CA -0.433 51.586 52.037 -0.031 0.000 1.430 380 A CB -0.504 18.468 19.000 -0.047 0.000 1.085 380 A HN 0.753 nan 8.150 nan 0.000 0.597 381 D N 1.903 122.298 120.400 -0.008 0.000 2.381 381 D HA 0.582 5.221 4.640 -0.002 0.000 0.235 381 D C -0.322 175.983 176.300 0.008 0.000 1.068 381 D CA 0.039 54.038 54.000 -0.001 0.000 0.832 381 D CB 1.545 42.354 40.800 0.016 0.000 1.101 381 D HN 0.417 nan 8.370 nan 0.000 0.515 382 L N -0.902 120.315 121.223 -0.011 0.000 2.600 382 L HA 0.802 5.140 4.340 -0.002 0.000 0.257 382 L C -1.300 175.532 176.870 -0.062 0.000 1.048 382 L CA -1.135 53.703 54.840 -0.004 0.000 0.869 382 L CB 1.463 43.518 42.059 -0.006 0.000 1.482 382 L HN 0.007 nan 8.230 nan 0.000 0.408 383 V N 1.546 121.408 119.914 -0.086 0.000 2.531 383 V HA 0.541 4.659 4.120 -0.002 0.000 0.301 383 V C -0.312 175.574 176.094 -0.347 0.000 1.034 383 V CA -0.312 61.786 62.300 -0.338 0.000 0.865 383 V CB 1.726 33.153 31.823 -0.660 0.000 0.995 383 V HN 0.654 nan 8.190 nan 0.000 0.424 384 I N 4.008 124.400 120.570 -0.297 0.000 2.312 384 I HA 0.336 4.505 4.170 -0.002 0.000 0.290 384 I C -0.578 175.468 176.117 -0.118 0.000 1.008 384 I CA -0.138 61.109 61.300 -0.089 0.000 1.226 384 I CB 0.918 38.948 38.000 0.051 0.000 1.371 384 I HN 0.576 nan 8.210 nan 0.000 0.468 385 W N 4.528 125.894 121.300 0.110 0.000 2.359 385 W HA 0.344 5.003 4.660 -0.003 0.000 0.344 385 W C 0.597 177.159 176.519 0.072 0.000 1.170 385 W CA -0.515 56.909 57.345 0.132 0.000 1.296 385 W CB 0.461 30.010 29.460 0.149 0.000 1.197 385 W HN 0.390 nan 8.180 nan 0.000 0.618 386 Q N 1.708 121.738 119.800 0.383 0.000 2.938 386 Q HA 0.446 4.785 4.340 -0.002 0.000 0.343 386 Q C -0.228 175.835 176.000 0.106 0.000 1.185 386 Q CA -0.150 55.760 55.803 0.179 0.000 0.939 386 Q CB -0.148 28.715 28.738 0.208 0.000 1.480 386 Q HN 0.404 nan 8.270 nan 0.000 0.442 387 A N 0.776 123.643 122.820 0.077 0.000 2.606 387 A HA 0.555 4.874 4.320 -0.002 0.000 0.293 387 A C -2.465 175.073 177.584 -0.077 0.000 1.082 387 A CA -1.068 50.913 52.037 -0.093 0.000 0.685 387 A CB 1.280 20.260 19.000 -0.034 0.000 1.284 387 A HN 0.038 nan 8.150 nan 0.000 0.408 388 P HA 0.089 nan 4.420 nan 0.000 0.238 388 P C -0.135 177.111 177.300 -0.090 0.000 1.183 388 P CA 0.811 63.843 63.100 -0.112 0.000 0.813 388 P CB 0.135 31.749 31.700 -0.144 0.000 0.944 389 N N -1.158 117.479 118.700 -0.105 0.000 2.455 389 N HA 0.100 4.838 4.740 -0.002 0.000 0.278 389 N C 0.688 176.130 175.510 -0.113 0.000 1.291 389 N CA -1.037 51.941 53.050 -0.121 0.000 0.780 389 N CB 0.004 38.370 38.487 -0.200 0.000 1.520 389 N HN -0.171 nan 8.380 nan 0.000 0.486 390 Y N -1.033 119.177 120.300 -0.150 0.000 2.439 390 Y HA 0.211 4.760 4.550 -0.003 0.000 0.292 390 Y C 1.492 177.490 175.900 0.165 0.000 1.130 390 Y CA 0.598 58.600 58.100 -0.164 0.000 1.254 390 Y CB -0.288 37.836 38.460 -0.560 0.000 1.000 390 Y HN 0.437 nan 8.280 nan 0.000 0.554 391 M N -0.957 118.353 119.600 -0.483 0.000 2.319 391 M HA -0.104 4.375 4.480 -0.002 0.000 0.265 391 M C 1.720 178.017 176.300 -0.005 0.000 1.068 391 M CA 1.423 56.589 55.300 -0.224 0.000 1.118 391 M CB -0.410 31.959 32.600 -0.385 0.000 1.395 391 M HN 0.397 nan 8.290 nan 0.000 0.435 392 Y N 1.440 121.673 120.300 -0.112 0.000 2.224 392 Y HA -0.251 4.297 4.550 -0.002 0.000 0.289 392 Y C 2.028 177.918 175.900 -0.016 0.000 1.146 392 Y CA 1.328 59.423 58.100 -0.008 0.000 1.182 392 Y CB 0.048 38.460 38.460 -0.081 0.000 0.983 392 Y HN 0.066 nan 8.280 nan 0.000 0.524 393 I N 1.508 122.058 120.570 -0.034 0.000 2.069 393 I HA -0.248 3.921 4.170 -0.002 0.000 0.237 393 I C -0.325 175.744 176.117 -0.080 0.000 1.053 393 I CA 1.755 62.932 61.300 -0.206 0.000 1.311 393 I CB -2.824 35.057 38.000 -0.198 0.000 1.030 393 I HN 0.183 nan 8.210 nan 0.000 0.398 394 P HA -0.188 nan 4.420 nan 0.000 0.229 394 P C 1.813 179.110 177.300 -0.006 0.000 1.160 394 P CA 1.277 64.344 63.100 -0.055 0.000 0.777 394 P CB -0.258 31.380 31.700 -0.104 0.000 0.814 395 Y N 1.294 121.514 120.300 -0.133 0.000 2.163 395 Y HA -0.087 4.462 4.550 -0.002 0.000 0.288 395 Y C 1.024 176.861 175.900 -0.104 0.000 1.136 395 Y CA 1.185 59.190 58.100 -0.157 0.000 1.147 395 Y CB -1.174 37.144 38.460 -0.236 0.000 0.987 395 Y HN -0.039 nan 8.280 nan 0.000 0.509 396 H N 0.980 119.713 119.070 -0.561 0.000 2.652 396 H HA 0.252 4.807 4.556 -0.002 0.000 0.298 396 H C -0.863 174.481 175.328 0.027 0.000 1.076 396 H CA -0.530 55.246 56.048 -0.454 0.000 1.360 396 H CB 0.001 29.529 29.762 -0.390 0.000 1.421 396 H HN 0.331 nan 8.280 nan 0.000 0.464 397 Y N 1.926 122.137 120.300 -0.147 0.000 2.568 397 Y HA 0.515 5.064 4.550 -0.003 0.000 0.327 397 Y C 1.161 177.045 175.900 -0.026 0.000 1.163 397 Y CA -0.759 57.306 58.100 -0.058 0.000 1.219 397 Y CB 0.983 39.358 38.460 -0.142 0.000 1.308 397 Y HN 0.724 nan 8.280 nan 0.000 0.503 398 G N -0.026 108.771 108.800 -0.005 0.000 2.175 398 G HA2 -0.227 3.731 3.960 -0.002 0.000 0.265 398 G HA3 -0.227 3.731 3.960 -0.002 0.000 0.265 398 G C -0.128 174.740 174.900 -0.053 0.000 0.979 398 G CA 0.669 45.718 45.100 -0.086 0.000 0.663 398 G HN 1.483 nan 8.290 nan 0.000 0.533 399 V N -3.946 115.940 119.914 -0.046 0.000 3.221 399 V HA 0.895 5.013 4.120 -0.002 0.000 0.305 399 V C -0.044 176.043 176.094 -0.013 0.000 1.263 399 V CA -0.999 61.270 62.300 -0.052 0.000 1.048 399 V CB 1.958 33.698 31.823 -0.138 0.000 1.203 399 V HN 0.249 nan 8.190 nan 0.000 0.476 400 N N -0.203 118.434 118.700 -0.105 0.000 2.518 400 N HA 0.400 5.138 4.740 -0.002 0.000 0.254 400 N C 0.163 175.619 175.510 -0.090 0.000 0.979 400 N CA -0.384 52.593 53.050 -0.121 0.000 0.930 400 N CB 0.566 38.790 38.487 -0.438 0.000 1.152 400 N HN 0.795 nan 8.380 nan 0.000 0.505 401 H N 1.346 120.584 119.070 0.281 0.000 2.547 401 H HA 0.125 4.680 4.556 -0.002 0.000 0.266 401 H C 0.265 175.851 175.328 0.431 0.000 0.988 401 H CA 0.118 56.396 56.048 0.384 0.000 1.147 401 H CB 0.586 30.654 29.762 0.510 0.000 1.365 401 H HN 0.216 nan 8.280 nan 0.000 0.589 402 V N 1.841 121.916 119.914 0.269 0.000 2.673 402 V HA -0.100 4.018 4.120 -0.002 0.000 0.303 402 V C 1.719 177.816 176.094 0.004 0.000 1.046 402 V CA 0.576 62.828 62.300 -0.081 0.000 1.126 402 V CB 1.377 33.037 31.823 -0.273 0.000 0.934 402 V HN 0.534 nan 8.190 nan 0.000 0.487 403 H N 3.748 122.740 119.070 -0.130 0.000 2.368 403 H HA 0.296 4.851 4.556 -0.002 0.000 0.311 403 H C 0.338 175.590 175.328 -0.126 0.000 1.042 403 H CA 0.266 56.266 56.048 -0.081 0.000 1.377 403 H CB 1.044 30.782 29.762 -0.040 0.000 1.473 403 H HN 0.692 nan 8.280 nan 0.000 0.593 404 Q N 0.847 120.498 119.800 -0.248 0.000 2.416 404 Q HA 0.479 4.818 4.340 -0.002 0.000 0.281 404 Q C -1.619 174.238 176.000 -0.240 0.000 1.067 404 Q CA -0.830 54.804 55.803 -0.282 0.000 0.809 404 Q CB 3.875 32.451 28.738 -0.270 0.000 1.418 404 Q HN 0.041 nan 8.270 nan 0.000 0.411 405 V N 2.040 121.832 119.914 -0.203 0.000 2.540 405 V HA 0.529 4.648 4.120 -0.002 0.000 0.302 405 V C -0.674 175.347 176.094 -0.121 0.000 1.035 405 V CA -0.634 61.560 62.300 -0.176 0.000 0.873 405 V CB 1.788 33.515 31.823 -0.160 0.000 0.992 405 V HN 0.771 nan 8.190 nan 0.000 0.428 406 M N 4.610 124.152 119.600 -0.096 0.000 2.294 406 M HA 0.705 5.184 4.480 -0.002 0.000 0.335 406 M C -0.999 175.270 176.300 -0.051 0.000 1.079 406 M CA -0.676 54.582 55.300 -0.070 0.000 0.982 406 M CB 1.527 34.089 32.600 -0.063 0.000 1.651 406 M HN 0.581 nan 8.290 nan 0.000 0.437 407 K N 3.778 124.151 120.400 -0.045 0.000 2.471 407 K HA 0.415 4.733 4.320 -0.002 0.000 0.252 407 K C -0.733 175.847 176.600 -0.033 0.000 0.938 407 K CA -0.127 56.141 56.287 -0.032 0.000 0.796 407 K CB 0.868 33.350 32.500 -0.030 0.000 1.161 407 K HN 0.801 nan 8.250 nan 0.000 0.425 408 N N 3.252 121.935 118.700 -0.028 0.000 2.735 408 N HA -0.214 4.525 4.740 -0.002 0.000 0.248 408 N C 0.464 175.951 175.510 -0.038 0.000 1.083 408 N CA 1.606 54.638 53.050 -0.031 0.000 0.703 408 N CB -1.461 37.007 38.487 -0.032 0.000 1.005 408 N HN 1.098 nan 8.380 nan 0.000 0.550 409 G N -2.639 106.137 108.800 -0.040 0.000 2.179 409 G HA2 -0.306 3.652 3.960 -0.002 0.000 0.260 409 G HA3 -0.306 3.652 3.960 -0.002 0.000 0.260 409 G C 0.093 174.968 174.900 -0.042 0.000 0.977 409 G CA 0.766 45.840 45.100 -0.044 0.000 0.641 409 G HN 0.575 nan 8.290 nan 0.000 0.533 410 T N 1.647 116.175 114.554 -0.043 0.000 2.841 410 T HA 0.590 4.939 4.350 -0.002 0.000 0.283 410 T C 0.362 175.030 174.700 -0.053 0.000 1.000 410 T CA -0.643 61.430 62.100 -0.044 0.000 0.977 410 T CB 1.666 70.509 68.868 -0.041 0.000 0.979 410 T HN 0.171 nan 8.240 nan 0.000 0.446 411 I N 4.624 125.159 120.570 -0.058 0.000 2.505 411 I HA 0.033 4.202 4.170 -0.002 0.000 0.287 411 I C 1.546 177.619 176.117 -0.073 0.000 1.104 411 I CA 0.272 61.528 61.300 -0.074 0.000 1.387 411 I CB 0.392 38.344 38.000 -0.080 0.000 1.404 411 I HN 0.561 nan 8.210 nan 0.000 0.528 412 V N 5.067 124.934 119.914 -0.078 0.000 3.643 412 V HA 0.288 4.407 4.120 -0.002 0.000 0.280 412 V C 0.421 176.463 176.094 -0.086 0.000 1.351 412 V CA 0.080 62.337 62.300 -0.071 0.000 1.073 412 V CB 0.532 32.320 31.823 -0.058 0.000 0.863 412 V HN 0.377 nan 8.190 nan 0.000 0.436 413 V N 2.070 121.917 119.914 -0.111 0.000 2.668 413 V HA 0.567 4.685 4.120 -0.002 0.000 0.304 413 V C -1.264 174.729 176.094 -0.168 0.000 1.071 413 V CA -0.423 61.797 62.300 -0.134 0.000 0.894 413 V CB 1.769 33.502 31.823 -0.149 0.000 1.008 413 V HN 0.456 nan 8.190 nan 0.000 0.425 414 N N 4.429 123.028 118.700 -0.169 0.000 2.399 414 N HA 0.602 5.341 4.740 -0.002 0.000 0.284 414 N C -0.178 175.197 175.510 -0.223 0.000 1.025 414 N CA -0.459 52.462 53.050 -0.216 0.000 0.885 414 N CB 2.135 40.522 38.487 -0.165 0.000 1.339 414 N HN 0.766 nan 8.380 nan 0.000 0.487 415 R N 0.000 120.298 120.500 -0.336 0.000 2.786 415 R HA 0.000 4.339 4.340 -0.002 0.000 0.208 415 R CA 0.000 55.964 56.100 -0.227 0.000 0.921 415 R CB 0.000 30.220 30.300 -0.133 0.000 0.687 415 R HN 0.000 nan 8.270 nan 0.000 0.535