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 1yst_1_M DATA FIRST_RESID 1 DATA SEQUENCE AEYQNIFSQV QVRGPADLGM TEDVNLANRS GVGPFSTLLG WFGNAQLGPI DATA SEQUENCE YLGSLGVLSL FSGLMWFFTI GIWFWYQAGW NPAVFLRDLF FFSLEPPAPE DATA SEQUENCE YGLSFAAPLK EGGLWLIASF FMFVAVWSWW GRTYLRAQAM GMGKHTAWAF DATA SEQUENCE LSAIWLWMVL GFIRPILMGS WSEAVPYGIF SHLDWTNNFS LVHGNLFYNP DATA SEQUENCE FHGLSIAFLY GSALLFAMHG ATILAVSRFG GERELEQIAD RGTAAERAAL DATA SEQUENCE FWRWTMGFNA TMEGIHRWAI WMAVLVTLTG GIGILLSGTV VDNWYVWGQN DATA SEQUENCE HGMAP 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.599 177.584 0.025 0.000 1.274 1 A CA 0.000 52.048 52.037 0.018 0.000 0.836 1 A CB 0.000 19.020 19.000 0.033 0.000 0.831 2 E N -1.306 118.928 120.200 0.057 0.000 2.794 2 E HA 0.047 4.410 4.350 0.021 0.000 0.203 2 E C -0.299 176.377 176.600 0.126 0.000 0.953 2 E CA -0.111 56.328 56.400 0.065 0.000 1.284 2 E CB 0.278 30.021 29.700 0.071 0.000 1.077 2 E HN 0.681 nan 8.360 nan 0.000 0.508 3 Y N 1.638 121.924 120.300 -0.024 0.000 2.403 3 Y HA 0.054 4.617 4.550 0.021 0.000 0.291 3 Y C 0.549 176.428 175.900 -0.035 0.000 1.143 3 Y CA 1.290 59.377 58.100 -0.021 0.000 1.257 3 Y CB 0.197 38.646 38.460 -0.019 0.000 0.984 3 Y HN 0.035 nan 8.280 nan 0.000 0.550 4 Q N 1.190 120.974 119.800 -0.027 0.000 2.368 4 Q HA 0.081 4.434 4.340 0.021 0.000 0.256 4 Q C 0.329 176.284 176.000 -0.076 0.000 0.980 4 Q CA -0.456 55.277 55.803 -0.118 0.000 0.887 4 Q CB 0.629 29.271 28.738 -0.161 0.000 1.221 4 Q HN 0.099 nan 8.270 nan 0.000 0.458 5 N N 2.811 121.474 118.700 -0.062 0.000 2.878 5 N HA -0.145 4.608 4.740 0.021 0.000 0.203 5 N C 0.688 176.161 175.510 -0.061 0.000 1.646 5 N CA 0.457 53.483 53.050 -0.040 0.000 0.978 5 N CB -0.010 38.448 38.487 -0.048 0.000 1.251 5 N HN 0.519 nan 8.380 nan 0.000 0.468 6 I N -1.502 118.994 120.570 -0.123 0.000 2.104 6 I HA -0.044 4.138 4.170 0.021 0.000 0.218 6 I C 0.695 176.756 176.117 -0.093 0.000 1.048 6 I CA 0.716 61.889 61.300 -0.212 0.000 1.344 6 I CB -1.303 36.427 38.000 -0.450 0.000 1.116 6 I HN -0.211 nan 8.210 nan 0.000 0.392 7 F N 1.324 121.185 119.950 -0.149 0.000 2.399 7 F HA 0.409 4.949 4.527 0.021 0.000 0.342 7 F C 1.151 176.960 175.800 0.014 0.000 1.106 7 F CA -1.306 56.622 58.000 -0.121 0.000 1.196 7 F CB 0.088 39.005 39.000 -0.138 0.000 1.163 7 F HN 0.057 nan 8.300 nan 0.000 0.547 8 S N 1.653 117.524 115.700 0.285 0.000 2.537 8 S HA -0.010 4.473 4.470 0.021 0.000 0.286 8 S C 1.144 175.917 174.600 0.289 0.000 1.299 8 S CA -0.381 57.957 58.200 0.231 0.000 1.067 8 S CB 0.683 63.979 63.200 0.159 0.000 0.864 8 S HN 0.690 nan 8.310 nan 0.000 0.494 9 Q N 3.624 123.538 119.800 0.190 0.000 1.993 9 Q HA 0.078 4.431 4.340 0.021 0.000 0.202 9 Q C 0.283 176.404 176.000 0.201 0.000 0.984 9 Q CA 1.489 57.396 55.803 0.174 0.000 0.837 9 Q CB 0.080 28.882 28.738 0.107 0.000 0.902 9 Q HN 0.517 nan 8.270 nan 0.000 0.423 10 V N 0.675 120.668 119.914 0.132 0.000 2.823 10 V HA 0.262 4.395 4.120 0.021 0.000 0.312 10 V C -1.362 174.727 176.094 -0.009 0.000 1.072 10 V CA -0.857 61.495 62.300 0.087 0.000 0.937 10 V CB 2.011 33.869 31.823 0.059 0.000 1.013 10 V HN 0.465 nan 8.190 nan 0.000 0.430 11 Q N 4.258 124.013 119.800 -0.074 0.000 2.835 11 Q HA 0.402 4.755 4.340 0.021 0.000 0.235 11 Q C -0.690 175.248 176.000 -0.102 0.000 1.313 11 Q CA -0.208 55.481 55.803 -0.191 0.000 1.053 11 Q CB 1.156 29.707 28.738 -0.311 0.000 1.443 11 Q HN 0.412 nan 8.270 nan 0.000 0.576 12 V N 3.468 123.343 119.914 -0.065 0.000 2.407 12 V HA 0.442 4.575 4.120 0.021 0.000 0.278 12 V C -0.656 175.434 176.094 -0.007 0.000 1.037 12 V CA -0.351 61.932 62.300 -0.027 0.000 0.900 12 V CB 0.989 32.806 31.823 -0.010 0.000 0.983 12 V HN 0.718 nan 8.190 nan 0.000 0.459 13 R N 4.613 125.127 120.500 0.023 0.000 2.795 13 R HA 0.808 5.161 4.340 0.021 0.000 0.275 13 R C -0.205 176.142 176.300 0.078 0.000 0.981 13 R CA -0.523 55.645 56.100 0.112 0.000 0.917 13 R CB 2.269 32.670 30.300 0.168 0.000 1.202 13 R HN 0.837 nan 8.270 nan 0.000 0.469 14 G N 0.880 109.764 108.800 0.140 0.000 2.975 14 G HA2 0.544 4.517 3.960 0.021 0.000 0.291 14 G HA3 0.544 4.517 3.960 0.021 0.000 0.291 14 G C -2.758 172.162 174.900 0.034 0.000 1.334 14 G CA -1.020 44.109 45.100 0.049 0.000 0.843 14 G HN 0.286 nan 8.290 nan 0.000 0.548 15 P HA 0.428 nan 4.420 nan 0.000 0.269 15 P C -0.127 177.222 177.300 0.082 0.000 1.252 15 P CA 0.007 63.105 63.100 -0.003 0.000 0.780 15 P CB 0.933 32.626 31.700 -0.011 0.000 0.829 16 A N 3.536 126.444 122.820 0.148 0.000 2.489 16 A HA 0.096 4.429 4.320 0.021 0.000 0.289 16 A C 0.175 177.818 177.584 0.099 0.000 1.216 16 A CA 0.153 52.329 52.037 0.232 0.000 0.883 16 A CB -0.606 18.640 19.000 0.411 0.000 1.110 16 A HN 0.374 nan 8.150 nan 0.000 0.523 17 D N 2.453 122.891 120.400 0.064 0.000 2.193 17 D HA 0.281 4.934 4.640 0.021 0.000 0.244 17 D C 1.434 177.744 176.300 0.018 0.000 1.064 17 D CA -0.400 53.617 54.000 0.028 0.000 0.845 17 D CB 1.466 42.275 40.800 0.015 0.000 1.148 17 D HN 0.408 nan 8.370 nan 0.000 0.464 18 L N 2.970 124.196 121.223 0.006 0.000 2.040 18 L HA -0.271 4.082 4.340 0.021 0.000 0.228 18 L C 1.556 178.419 176.870 -0.011 0.000 1.092 18 L CA 2.513 57.348 54.840 -0.007 0.000 0.805 18 L CB -0.314 41.732 42.059 -0.022 0.000 0.905 18 L HN 0.820 nan 8.230 nan 0.000 0.443 19 G N -3.323 105.469 108.800 -0.014 0.000 2.214 19 G HA2 -0.125 3.847 3.960 0.021 0.000 0.200 19 G HA3 -0.125 3.847 3.960 0.021 0.000 0.200 19 G C -0.786 174.103 174.900 -0.018 0.000 1.126 19 G CA -0.137 44.955 45.100 -0.014 0.000 1.284 19 G HN -0.013 nan 8.290 nan 0.000 0.493 20 M N 2.387 121.976 119.600 -0.019 0.000 2.113 20 M HA 0.619 5.111 4.480 0.021 0.000 0.352 20 M C -0.224 176.060 176.300 -0.027 0.000 1.170 20 M CA -0.695 54.593 55.300 -0.020 0.000 1.053 20 M CB 0.597 33.188 32.600 -0.015 0.000 1.601 20 M HN 0.390 nan 8.290 nan 0.000 0.459 21 T N 2.450 116.986 114.554 -0.029 0.000 2.842 21 T HA 0.413 4.776 4.350 0.021 0.000 0.308 21 T C 0.712 175.396 174.700 -0.026 0.000 1.041 21 T CA -0.419 61.661 62.100 -0.034 0.000 0.964 21 T CB 1.366 70.211 68.868 -0.039 0.000 0.972 21 T HN 0.702 nan 8.240 nan 0.000 0.460 22 E N 1.963 122.150 120.200 -0.022 0.000 2.489 22 E HA 0.136 4.498 4.350 0.021 0.000 0.208 22 E C 0.748 177.337 176.600 -0.018 0.000 0.814 22 E CA 0.297 56.686 56.400 -0.019 0.000 1.348 22 E CB 0.639 30.328 29.700 -0.018 0.000 1.334 22 E HN 0.490 nan 8.360 nan 0.000 0.672 23 D N -1.404 118.987 120.400 -0.015 0.000 1.638 23 D HA -0.069 4.584 4.640 0.021 0.000 0.722 23 D C -0.538 175.760 176.300 -0.004 0.000 0.662 23 D CA 0.514 54.506 54.000 -0.013 0.000 1.220 23 D CB 0.190 40.981 40.800 -0.016 0.000 1.303 23 D HN 0.044 nan 8.370 nan 0.000 0.452 24 V N 3.472 123.392 119.914 0.011 0.000 2.506 24 V HA -0.004 4.128 4.120 0.021 0.000 0.296 24 V C 0.194 176.282 176.094 -0.010 0.000 1.004 24 V CA 0.277 62.609 62.300 0.053 0.000 1.150 24 V CB -0.073 31.805 31.823 0.091 0.000 0.911 24 V HN 0.265 nan 8.190 nan 0.000 0.476 25 N N 5.714 124.416 118.700 0.003 0.000 2.394 25 N HA -0.033 4.720 4.740 0.021 0.000 0.288 25 N C 0.707 176.101 175.510 -0.192 0.000 1.272 25 N CA 0.212 53.226 53.050 -0.060 0.000 1.004 25 N CB 0.322 38.800 38.487 -0.015 0.000 1.393 25 N HN 0.835 nan 8.380 nan 0.000 0.488 26 L N 4.117 125.233 121.223 -0.178 0.000 2.283 26 L HA -0.196 4.157 4.340 0.021 0.000 0.217 26 L C 1.934 178.652 176.870 -0.253 0.000 1.104 26 L CA 2.065 56.769 54.840 -0.226 0.000 0.772 26 L CB -1.042 40.937 42.059 -0.133 0.000 0.899 26 L HN 0.611 nan 8.230 nan 0.000 0.439 27 A N -0.899 121.805 122.820 -0.192 0.000 2.194 27 A HA -0.223 4.110 4.320 0.021 0.000 0.220 27 A C 1.797 179.276 177.584 -0.176 0.000 1.162 27 A CA 2.039 53.986 52.037 -0.149 0.000 0.674 27 A CB -0.789 18.156 19.000 -0.092 0.000 0.789 27 A HN 0.714 nan 8.150 nan 0.000 0.470 28 N N -1.155 117.351 118.700 -0.323 0.000 2.273 28 N HA 0.068 4.821 4.740 0.021 0.000 0.192 28 N C -0.019 175.317 175.510 -0.291 0.000 1.132 28 N CA -0.212 52.678 53.050 -0.266 0.000 0.887 28 N CB 0.213 38.631 38.487 -0.116 0.000 1.048 28 N HN 0.317 nan 8.380 nan 0.000 0.490 29 R N 1.099 121.328 120.500 -0.452 0.000 2.585 29 R HA 0.100 4.453 4.340 0.021 0.000 0.275 29 R C 0.576 176.813 176.300 -0.105 0.000 1.018 29 R CA 0.104 56.064 56.100 -0.234 0.000 1.072 29 R CB 0.319 30.494 30.300 -0.208 0.000 0.953 29 R HN 0.056 nan 8.270 nan 0.000 0.419 30 S N 0.741 116.418 115.700 -0.038 0.000 2.625 30 S HA 0.265 4.748 4.470 0.021 0.000 0.258 30 S C 1.469 176.054 174.600 -0.024 0.000 1.256 30 S CA 0.051 58.237 58.200 -0.022 0.000 0.983 30 S CB 0.729 63.929 63.200 0.001 0.000 1.032 30 S HN 0.620 nan 8.310 nan 0.000 0.572 31 G N -0.344 108.448 108.800 -0.013 0.000 2.670 31 G HA2 0.301 4.274 3.960 0.021 0.000 0.215 31 G HA3 0.301 4.274 3.960 0.021 0.000 0.215 31 G C -0.446 174.459 174.900 0.007 0.000 1.359 31 G CA 0.670 45.765 45.100 -0.009 0.000 0.897 31 G HN 0.754 nan 8.290 nan 0.000 0.552 32 V N -0.050 119.877 119.914 0.020 0.000 2.789 32 V HA 0.593 4.726 4.120 0.021 0.000 0.300 32 V C 0.368 176.495 176.094 0.055 0.000 1.184 32 V CA -0.386 61.943 62.300 0.049 0.000 0.930 32 V CB 1.502 33.368 31.823 0.073 0.000 1.041 32 V HN 0.698 nan 8.190 nan 0.000 0.430 33 G N 4.917 113.752 108.800 0.058 0.000 2.547 33 G HA2 0.675 4.648 3.960 0.021 0.000 0.291 33 G HA3 0.675 4.648 3.960 0.021 0.000 0.291 33 G C -2.784 172.177 174.900 0.101 0.000 1.211 33 G CA -1.399 43.731 45.100 0.051 0.000 0.950 33 G HN 0.534 nan 8.290 nan 0.000 0.504 34 P HA 0.199 nan 4.420 nan 0.000 0.269 34 P C -0.646 176.771 177.300 0.195 0.000 1.215 34 P CA -0.199 62.983 63.100 0.136 0.000 0.780 34 P CB 0.448 32.192 31.700 0.073 0.000 0.898 35 F N 0.376 120.308 119.950 -0.030 0.000 2.370 35 F HA 0.460 5.000 4.527 0.021 0.000 0.324 35 F C 1.061 176.836 175.800 -0.042 0.000 1.116 35 F CA 0.014 57.989 58.000 -0.041 0.000 1.123 35 F CB 0.856 39.826 39.000 -0.050 0.000 1.238 35 F HN 0.085 nan 8.300 nan 0.000 0.536 36 S N 0.333 116.048 115.700 0.025 0.000 2.775 36 S HA 0.268 4.751 4.470 0.021 0.000 0.277 36 S C 0.468 175.038 174.600 -0.049 0.000 1.156 36 S CA -0.541 57.661 58.200 0.004 0.000 1.081 36 S CB 0.822 64.015 63.200 -0.012 0.000 1.054 36 S HN 0.694 nan 8.310 nan 0.000 0.482 37 T N 5.380 119.907 114.554 -0.045 0.000 2.665 37 T HA -0.134 4.229 4.350 0.021 0.000 0.268 37 T C 1.881 176.482 174.700 -0.164 0.000 1.035 37 T CA 0.989 62.984 62.100 -0.174 0.000 1.151 37 T CB -0.224 68.621 68.868 -0.039 0.000 0.862 37 T HN 0.505 nan 8.240 nan 0.000 0.438 38 L N 1.182 122.457 121.223 0.086 0.000 1.932 38 L HA -0.047 4.305 4.340 0.021 0.000 0.217 38 L C 2.499 179.460 176.870 0.152 0.000 1.077 38 L CA 1.884 56.865 54.840 0.236 0.000 0.765 38 L CB -1.206 40.945 42.059 0.154 0.000 0.888 38 L HN 0.322 nan 8.230 nan 0.000 0.433 39 L N -0.155 121.112 121.223 0.073 0.000 2.197 39 L HA -0.202 4.150 4.340 0.021 0.000 0.215 39 L C 2.521 179.415 176.870 0.040 0.000 1.095 39 L CA 1.064 55.944 54.840 0.065 0.000 0.764 39 L CB -1.159 40.900 42.059 -0.000 0.000 0.897 39 L HN 0.472 nan 8.230 nan 0.000 0.436 40 G N -0.571 108.182 108.800 -0.077 0.000 2.418 40 G HA2 -0.263 3.709 3.960 0.021 0.000 0.217 40 G HA3 -0.263 3.709 3.960 0.021 0.000 0.217 40 G C 1.123 175.929 174.900 -0.156 0.000 1.158 40 G CA 0.432 45.419 45.100 -0.188 0.000 0.771 40 G HN 0.444 nan 8.290 nan 0.000 0.545 41 W N -0.728 120.547 121.300 -0.042 0.000 2.387 41 W HA 0.105 4.778 4.660 0.022 0.000 0.272 41 W C 2.046 178.495 176.519 -0.118 0.000 1.224 41 W CA -0.270 56.999 57.345 -0.126 0.000 1.210 41 W CB -0.212 29.079 29.460 -0.282 0.000 1.125 41 W HN 0.129 nan 8.180 nan 0.000 0.572 42 F N -0.686 119.309 119.950 0.075 0.000 2.148 42 F HA 0.214 4.754 4.527 0.023 0.000 0.285 42 F C 2.210 178.052 175.800 0.070 0.000 1.092 42 F CA 2.064 60.117 58.000 0.087 0.000 1.218 42 F CB -0.426 38.609 39.000 0.058 0.000 1.059 42 F HN -0.151 nan 8.300 nan 0.000 0.490 43 G N -2.265 106.694 108.800 0.266 0.000 2.686 43 G HA2 0.098 4.071 3.960 0.021 0.000 0.158 43 G HA3 0.098 4.071 3.960 0.021 0.000 0.158 43 G C -0.943 173.975 174.900 0.029 0.000 1.438 43 G CA -0.026 45.158 45.100 0.139 0.000 0.781 43 G HN 0.155 nan 8.290 nan 0.000 1.041 44 N N -0.320 118.371 118.700 -0.014 0.000 2.976 44 N HA 0.421 5.173 4.740 0.021 0.000 0.249 44 N C 0.756 176.178 175.510 -0.147 0.000 1.258 44 N CA 0.277 53.274 53.050 -0.088 0.000 0.864 44 N CB 1.166 39.604 38.487 -0.082 0.000 1.551 44 N HN 0.153 nan 8.380 nan 0.000 0.607 45 A N 1.840 124.536 122.820 -0.208 0.000 2.032 45 A HA -0.166 4.166 4.320 0.021 0.000 0.221 45 A C 1.132 178.501 177.584 -0.359 0.000 1.165 45 A CA 1.212 53.097 52.037 -0.253 0.000 0.645 45 A CB -0.199 18.649 19.000 -0.253 0.000 0.807 45 A HN 0.667 nan 8.150 nan 0.000 0.453 46 Q N -0.424 119.067 119.800 -0.515 0.000 2.454 46 Q HA 0.170 4.523 4.340 0.021 0.000 0.247 46 Q C 0.877 176.729 176.000 -0.247 0.000 1.028 46 Q CA -0.349 55.133 55.803 -0.535 0.000 0.910 46 Q CB 0.484 28.839 28.738 -0.638 0.000 1.276 46 Q HN 0.440 nan 8.270 nan 0.000 0.489 47 L N 1.539 122.669 121.223 -0.155 0.000 2.013 47 L HA 0.130 4.482 4.340 0.021 0.000 0.204 47 L C 0.789 177.624 176.870 -0.058 0.000 1.081 47 L CA 2.447 57.248 54.840 -0.065 0.000 0.751 47 L CB -1.121 40.931 42.059 -0.012 0.000 0.901 47 L HN 0.991 nan 8.230 nan 0.000 0.440 48 G N -0.872 107.903 108.800 -0.043 0.000 2.663 48 G HA2 -0.141 3.832 3.960 0.021 0.000 0.686 48 G HA3 -0.141 3.832 3.960 0.021 0.000 0.686 48 G C -2.355 172.543 174.900 -0.004 0.000 1.288 48 G CA -0.465 44.616 45.100 -0.031 0.000 0.836 48 G HN 0.216 nan 8.290 nan 0.000 0.584 49 P HA 0.166 nan 4.420 nan 0.000 0.232 49 P C 0.735 178.060 177.300 0.043 0.000 1.606 49 P CA -0.073 63.036 63.100 0.014 0.000 1.105 49 P CB -0.292 31.413 31.700 0.009 0.000 1.919 50 I N 1.464 122.059 120.570 0.042 0.000 2.662 50 I HA -0.042 4.141 4.170 0.021 0.000 0.285 50 I C -0.395 175.794 176.117 0.119 0.000 1.161 50 I CA -0.230 61.110 61.300 0.066 0.000 1.415 50 I CB 0.199 38.227 38.000 0.047 0.000 1.385 50 I HN 0.126 nan 8.210 nan 0.000 0.552 51 Y N 9.127 129.406 120.300 -0.035 0.000 2.921 51 Y HA 0.399 4.963 4.550 0.024 0.000 0.346 51 Y C -0.772 175.100 175.900 -0.048 0.000 1.182 51 Y CA -1.613 56.460 58.100 -0.045 0.000 1.319 51 Y CB -0.199 38.225 38.460 -0.061 0.000 1.403 51 Y HN 0.478 nan 8.280 nan 0.000 0.554 52 L N 4.756 126.118 121.223 0.233 0.000 2.597 52 L HA 0.226 4.579 4.340 0.021 0.000 0.271 52 L C 0.980 177.963 176.870 0.189 0.000 1.157 52 L CA 0.636 55.558 54.840 0.136 0.000 0.928 52 L CB -0.168 41.937 42.059 0.076 0.000 1.216 52 L HN 0.726 nan 8.230 nan 0.000 0.481 53 G N 1.599 110.456 108.800 0.095 0.000 3.262 53 G HA2 0.363 4.336 3.960 0.021 0.000 0.229 53 G HA3 0.363 4.336 3.960 0.021 0.000 0.229 53 G C 0.382 175.295 174.900 0.022 0.000 1.280 53 G CA -0.100 45.067 45.100 0.111 0.000 0.951 53 G HN 0.468 nan 8.290 nan 0.000 0.589 54 S N -0.131 115.574 115.700 0.008 0.000 2.500 54 S HA -0.147 4.336 4.470 0.021 0.000 0.210 54 S C 2.462 177.055 174.600 -0.011 0.000 1.101 54 S CA 1.678 59.878 58.200 0.001 0.000 1.272 54 S CB -0.849 62.349 63.200 -0.003 0.000 1.071 54 S HN 0.657 nan 8.310 nan 0.000 0.397 55 L N 0.587 121.789 121.223 -0.036 0.000 2.456 55 L HA 0.159 4.512 4.340 0.021 0.000 0.224 55 L C 1.995 178.845 176.870 -0.034 0.000 1.148 55 L CA 1.190 56.017 54.840 -0.021 0.000 0.825 55 L CB -1.219 40.823 42.059 -0.029 0.000 0.937 55 L HN 0.385 nan 8.230 nan 0.000 0.450 56 G N 1.098 109.845 108.800 -0.088 0.000 2.524 56 G HA2 -0.209 3.764 3.960 0.021 0.000 0.215 56 G HA3 -0.209 3.764 3.960 0.021 0.000 0.215 56 G C 1.422 176.354 174.900 0.053 0.000 1.239 56 G CA 1.388 46.431 45.100 -0.094 0.000 0.798 56 G HN 0.213 nan 8.290 nan 0.000 0.557 57 V N 1.449 121.395 119.914 0.054 0.000 2.252 57 V HA -0.300 3.833 4.120 0.021 0.000 0.255 57 V C 2.783 178.972 176.094 0.158 0.000 1.071 57 V CA 2.204 64.559 62.300 0.091 0.000 1.050 57 V CB -0.898 30.957 31.823 0.053 0.000 0.654 57 V HN 0.407 nan 8.190 nan 0.000 0.448 58 L N 0.338 121.653 121.223 0.153 0.000 2.034 58 L HA -0.231 4.122 4.340 0.021 0.000 0.217 58 L C 2.423 179.414 176.870 0.202 0.000 1.077 58 L CA 2.650 57.615 54.840 0.208 0.000 0.769 58 L CB -0.859 41.285 42.059 0.141 0.000 0.890 58 L HN 0.359 nan 8.230 nan 0.000 0.435 59 S N -0.240 115.568 115.700 0.180 0.000 2.380 59 S HA -0.247 4.236 4.470 0.021 0.000 0.217 59 S C 1.889 176.590 174.600 0.168 0.000 1.036 59 S CA 1.739 60.056 58.200 0.195 0.000 1.050 59 S CB -0.883 62.539 63.200 0.370 0.000 1.016 59 S HN 0.549 nan 8.310 nan 0.000 0.419 60 L N 0.806 122.148 121.223 0.197 0.000 2.197 60 L HA -0.165 4.188 4.340 0.021 0.000 0.215 60 L C 2.149 179.119 176.870 0.167 0.000 1.095 60 L CA 1.308 56.224 54.840 0.127 0.000 0.764 60 L CB -0.327 41.801 42.059 0.116 0.000 0.897 60 L HN 0.277 nan 8.230 nan 0.000 0.436 61 F N 0.363 120.334 119.950 0.034 0.000 2.014 61 F HA -0.239 4.296 4.527 0.013 0.000 0.295 61 F C 2.725 178.535 175.800 0.016 0.000 1.145 61 F CA 1.716 59.723 58.000 0.012 0.000 1.178 61 F CB -1.210 37.807 39.000 0.028 0.000 0.972 61 F HN 0.246 nan 8.300 nan 0.000 0.476 62 S N 0.482 116.089 115.700 -0.156 0.000 2.365 62 S HA -0.183 4.300 4.470 0.021 0.000 0.225 62 S C 2.450 177.039 174.600 -0.019 0.000 1.039 62 S CA 1.318 59.395 58.200 -0.205 0.000 1.033 62 S CB -1.842 61.357 63.200 -0.002 0.000 0.887 62 S HN 0.586 nan 8.310 nan 0.000 0.447 63 G N 1.628 110.457 108.800 0.049 0.000 2.421 63 G HA2 -0.111 3.862 3.960 0.021 0.000 0.216 63 G HA3 -0.111 3.862 3.960 0.021 0.000 0.216 63 G C 1.365 176.401 174.900 0.227 0.000 1.171 63 G CA 0.815 45.990 45.100 0.126 0.000 0.775 63 G HN 0.466 nan 8.290 nan 0.000 0.543 64 L N 0.235 121.533 121.223 0.125 0.000 2.275 64 L HA 0.051 4.404 4.340 0.021 0.000 0.215 64 L C 2.691 179.660 176.870 0.166 0.000 1.119 64 L CA 0.853 55.747 54.840 0.091 0.000 0.790 64 L CB -0.042 42.024 42.059 0.012 0.000 0.919 64 L HN 0.308 nan 8.230 nan 0.000 0.443 65 M N -1.418 118.241 119.600 0.098 0.000 2.299 65 M HA -0.191 4.302 4.480 0.021 0.000 0.264 65 M C 2.102 178.439 176.300 0.062 0.000 1.095 65 M CA 1.542 56.851 55.300 0.016 0.000 1.165 65 M CB -1.071 31.325 32.600 -0.339 0.000 1.349 65 M HN 0.395 nan 8.290 nan 0.000 0.446 66 W N 1.275 122.521 121.300 -0.090 0.000 2.325 66 W HA -0.292 4.382 4.660 0.024 0.000 0.299 66 W C 1.823 178.321 176.519 -0.035 0.000 1.215 66 W CA 2.237 59.533 57.345 -0.081 0.000 1.244 66 W CB -0.888 28.514 29.460 -0.097 0.000 1.140 66 W HN 0.315 nan 8.180 nan 0.000 0.523 67 F N -0.310 119.559 119.950 -0.135 0.000 2.053 67 F HA -0.125 4.414 4.527 0.020 0.000 0.292 67 F C 2.402 178.144 175.800 -0.096 0.000 1.125 67 F CA 2.112 59.975 58.000 -0.227 0.000 1.193 67 F CB -1.518 37.499 39.000 0.029 0.000 0.996 67 F HN -0.090 nan 8.300 nan 0.000 0.470 68 F N 1.473 121.561 119.950 0.230 0.000 2.085 68 F HA -0.328 4.212 4.527 0.021 0.000 0.299 68 F C 2.488 178.321 175.800 0.056 0.000 1.096 68 F CA 2.407 60.490 58.000 0.138 0.000 1.227 68 F CB -1.158 37.871 39.000 0.048 0.000 0.983 68 F HN 0.099 nan 8.300 nan 0.000 0.482 69 T N 0.801 115.335 114.554 -0.035 0.000 2.595 69 T HA -0.273 4.090 4.350 0.021 0.000 0.264 69 T C 2.139 176.809 174.700 -0.050 0.000 1.058 69 T CA 2.159 64.224 62.100 -0.058 0.000 1.166 69 T CB -1.091 67.832 68.868 0.091 0.000 0.863 69 T HN 0.368 nan 8.240 nan 0.000 0.415 70 I N 1.974 122.387 120.570 -0.262 0.000 2.236 70 I HA -0.187 3.996 4.170 0.021 0.000 0.249 70 I C 2.893 178.751 176.117 -0.433 0.000 1.102 70 I CA 1.459 62.455 61.300 -0.506 0.000 1.365 70 I CB -0.927 36.503 38.000 -0.949 0.000 1.051 70 I HN 0.419 nan 8.210 nan 0.000 0.420 71 G N 1.161 109.902 108.800 -0.100 0.000 2.414 71 G HA2 -0.183 3.790 3.960 0.021 0.000 0.215 71 G HA3 -0.183 3.790 3.960 0.021 0.000 0.215 71 G C 1.583 176.790 174.900 0.512 0.000 1.188 71 G CA 0.400 45.729 45.100 0.381 0.000 0.783 71 G HN 0.169 nan 8.290 nan 0.000 0.537 72 I N -0.279 120.307 120.570 0.028 0.000 2.163 72 I HA -0.105 4.077 4.170 0.021 0.000 0.243 72 I C 2.485 178.751 176.117 0.249 0.000 1.085 72 I CA 0.746 62.032 61.300 -0.023 0.000 1.347 72 I CB -0.899 36.819 38.000 -0.470 0.000 1.044 72 I HN 0.305 nan 8.210 nan 0.000 0.408 73 W N 0.328 121.679 121.300 0.085 0.000 2.465 73 W HA -0.192 4.479 4.660 0.019 0.000 0.268 73 W C 2.421 179.036 176.519 0.160 0.000 1.242 73 W CA 0.649 58.048 57.345 0.091 0.000 1.248 73 W CB -0.586 28.842 29.460 -0.052 0.000 1.118 73 W HN 0.069 nan 8.180 nan 0.000 0.587 74 F N -1.041 119.166 119.950 0.428 0.000 2.074 74 F HA -0.124 4.417 4.527 0.023 0.000 0.293 74 F C 1.990 178.034 175.800 0.408 0.000 1.116 74 F CA 1.068 59.299 58.000 0.385 0.000 1.212 74 F CB -1.633 37.660 39.000 0.488 0.000 0.998 74 F HN -0.224 nan 8.300 nan 0.000 0.471 75 W N -0.857 120.841 121.300 0.663 0.000 2.304 75 W HA -0.280 4.393 4.660 0.021 0.000 0.328 75 W C 2.474 179.238 176.519 0.407 0.000 1.242 75 W CA 1.939 59.648 57.345 0.607 0.000 1.243 75 W CB -1.622 28.150 29.460 0.519 0.000 1.170 75 W HN -0.017 nan 8.180 nan 0.000 0.460 76 Y N 0.601 121.205 120.300 0.507 0.000 2.205 76 Y HA -0.375 4.187 4.550 0.021 0.000 0.277 76 Y C 2.187 177.811 175.900 -0.459 0.000 1.251 76 Y CA 2.460 60.614 58.100 0.090 0.000 1.154 76 Y CB -0.850 37.645 38.460 0.058 0.000 0.949 76 Y HN 0.118 nan 8.280 nan 0.000 0.524 77 Q N -1.796 117.945 119.800 -0.097 0.000 2.322 77 Q HA 0.417 4.770 4.340 0.021 0.000 0.250 77 Q C 1.183 177.046 176.000 -0.229 0.000 0.853 77 Q CA 0.689 56.345 55.803 -0.245 0.000 0.951 77 Q CB 0.059 28.718 28.738 -0.132 0.000 1.114 77 Q HN 0.269 nan 8.270 nan 0.000 0.523 78 A N 1.224 123.985 122.820 -0.099 0.000 3.146 78 A HA 0.277 4.610 4.320 0.021 0.000 0.260 78 A C 1.021 178.687 177.584 0.137 0.000 2.029 78 A CA 0.700 52.795 52.037 0.098 0.000 1.552 78 A CB -1.920 17.345 19.000 0.441 0.000 0.824 78 A HN 0.365 nan 8.150 nan 0.000 0.602 79 G N 0.333 109.151 108.800 0.031 0.000 2.318 79 G HA2 -0.290 3.683 3.960 0.021 0.000 0.272 79 G HA3 -0.290 3.683 3.960 0.021 0.000 0.272 79 G C 0.818 175.858 174.900 0.233 0.000 0.845 79 G CA 0.435 45.593 45.100 0.097 0.000 1.153 79 G HN 0.718 nan 8.290 nan 0.000 0.460 80 W N 0.057 121.481 121.300 0.206 0.000 2.094 80 W HA -0.272 4.400 4.660 0.020 0.000 0.353 80 W C 1.449 178.095 176.519 0.211 0.000 1.545 80 W CA 1.513 59.009 57.345 0.251 0.000 1.673 80 W CB -1.325 28.290 29.460 0.257 0.000 1.007 80 W HN 0.623 nan 8.180 nan 0.000 0.475 81 N N 1.864 120.800 118.700 0.393 0.000 1.960 81 N HA -0.137 4.616 4.740 0.021 0.000 0.295 81 N C -2.397 173.240 175.510 0.212 0.000 1.364 81 N CA -0.008 53.193 53.050 0.251 0.000 0.887 81 N CB -0.119 38.474 38.487 0.177 0.000 1.226 81 N HN -0.073 nan 8.380 nan 0.000 0.492 82 P HA 0.102 nan 4.420 nan 0.000 0.235 82 P C -0.253 177.125 177.300 0.130 0.000 1.765 82 P CA 0.156 63.367 63.100 0.184 0.000 1.034 82 P CB 0.340 32.224 31.700 0.307 0.000 1.984 83 A N 0.539 123.418 122.820 0.098 0.000 2.533 83 A HA 0.117 4.450 4.320 0.021 0.000 0.180 83 A C 1.291 178.894 177.584 0.032 0.000 1.566 83 A CA 0.506 52.581 52.037 0.065 0.000 1.153 83 A CB -0.107 18.931 19.000 0.065 0.000 1.462 83 A HN 0.245 nan 8.150 nan 0.000 0.523 84 V N -3.459 116.473 119.914 0.031 0.000 3.212 84 V HA 0.227 4.360 4.120 0.021 0.000 0.244 84 V C 1.922 177.930 176.094 -0.143 0.000 1.151 84 V CA 1.267 63.551 62.300 -0.026 0.000 1.119 84 V CB -0.974 30.863 31.823 0.023 0.000 0.838 84 V HN 0.333 nan 8.190 nan 0.000 0.470 85 F N 1.343 121.113 119.950 -0.301 0.000 2.085 85 F HA -0.223 4.316 4.527 0.021 0.000 0.299 85 F C 2.039 177.541 175.800 -0.497 0.000 1.096 85 F CA 2.402 60.078 58.000 -0.540 0.000 1.227 85 F CB -0.244 38.329 39.000 -0.712 0.000 0.983 85 F HN 0.120 nan 8.300 nan 0.000 0.482 86 L N 0.487 121.592 121.223 -0.197 0.000 1.994 86 L HA -0.209 4.144 4.340 0.021 0.000 0.208 86 L C 2.617 179.272 176.870 -0.358 0.000 1.071 86 L CA 2.161 56.857 54.840 -0.240 0.000 0.745 86 L CB -1.556 40.471 42.059 -0.053 0.000 0.892 86 L HN 0.257 nan 8.230 nan 0.000 0.431 87 R N 0.606 120.946 120.500 -0.267 0.000 2.113 87 R HA -0.192 4.161 4.340 0.021 0.000 0.231 87 R C 0.075 176.207 176.300 -0.280 0.000 1.129 87 R CA 2.144 58.106 56.100 -0.229 0.000 0.915 87 R CB -0.252 29.972 30.300 -0.127 0.000 0.837 87 R HN 0.293 nan 8.270 nan 0.000 0.430 88 D N 1.030 121.225 120.400 -0.341 0.000 2.741 88 D HA 0.074 4.726 4.640 0.021 0.000 0.233 88 D C 0.547 176.229 176.300 -1.029 0.000 1.160 88 D CA 0.012 53.804 54.000 -0.347 0.000 1.003 88 D CB 0.765 41.485 40.800 -0.132 0.000 1.064 88 D HN 0.205 nan 8.370 nan 0.000 0.503 89 L N 0.141 120.903 121.223 -0.769 0.000 2.253 89 L HA 0.004 4.356 4.340 0.021 0.000 0.205 89 L C 1.119 177.766 176.870 -0.370 0.000 1.078 89 L CA 0.663 54.965 54.840 -0.896 0.000 0.805 89 L CB 0.062 41.728 42.059 -0.655 0.000 0.963 89 L HN 0.164 nan 8.230 nan 0.000 0.459 90 F N 1.000 120.671 119.950 -0.465 0.000 1.990 90 F HA -0.133 4.407 4.527 0.022 0.000 0.294 90 F C 1.366 177.146 175.800 -0.034 0.000 1.177 90 F CA 0.584 58.337 58.000 -0.410 0.000 1.167 90 F CB -1.410 37.113 39.000 -0.795 0.000 0.971 90 F HN -0.112 nan 8.300 nan 0.000 0.483 91 F N -0.122 120.114 119.950 0.477 0.000 2.588 91 F HA -0.011 4.529 4.527 0.022 0.000 0.367 91 F C 0.537 176.614 175.800 0.461 0.000 1.228 91 F CA 0.325 58.595 58.000 0.450 0.000 1.289 91 F CB -1.241 37.969 39.000 0.350 0.000 1.738 91 F HN -0.091 nan 8.300 nan 0.000 0.680 92 F N -0.074 120.012 119.950 0.227 0.000 2.856 92 F HA 0.186 4.726 4.527 0.021 0.000 0.333 92 F C 0.989 176.992 175.800 0.338 0.000 1.200 92 F CA -0.754 57.337 58.000 0.153 0.000 1.128 92 F CB -0.185 38.703 39.000 -0.187 0.000 1.172 92 F HN 0.042 nan 8.300 nan 0.000 0.511 93 S N 1.113 117.039 115.700 0.375 0.000 2.569 93 S HA 0.257 4.739 4.470 0.021 0.000 0.274 93 S C -0.222 174.465 174.600 0.146 0.000 1.353 93 S CA 0.050 58.426 58.200 0.293 0.000 1.023 93 S CB 0.432 63.752 63.200 0.200 0.000 0.876 93 S HN 0.223 nan 8.310 nan 0.000 0.540 94 L N 4.020 125.289 121.223 0.076 0.000 2.433 94 L HA 0.351 4.704 4.340 0.021 0.000 0.256 94 L C -0.084 176.742 176.870 -0.074 0.000 1.063 94 L CA -0.334 54.479 54.840 -0.044 0.000 0.922 94 L CB 0.972 42.951 42.059 -0.132 0.000 1.238 94 L HN 0.808 nan 8.230 nan 0.000 0.466 95 E N 3.772 123.941 120.200 -0.053 0.000 2.418 95 E HA 0.146 4.508 4.350 0.021 0.000 0.261 95 E C -2.024 174.493 176.600 -0.139 0.000 1.070 95 E CA -1.156 55.195 56.400 -0.080 0.000 0.931 95 E CB 0.314 29.990 29.700 -0.039 0.000 0.954 95 E HN 0.348 nan 8.360 nan 0.000 0.439 96 P HA 0.115 nan 4.420 nan 0.000 0.282 96 P C -2.497 174.687 177.300 -0.192 0.000 1.286 96 P CA -1.105 61.816 63.100 -0.298 0.000 0.777 96 P CB -0.876 30.367 31.700 -0.762 0.000 1.184 97 P HA -0.072 nan 4.420 nan 0.000 0.258 97 P C 0.514 177.760 177.300 -0.089 0.000 1.172 97 P CA 0.620 63.622 63.100 -0.164 0.000 0.762 97 P CB -0.065 31.483 31.700 -0.254 0.000 0.764 98 A N 7.051 129.846 122.820 -0.042 0.000 1.825 98 A HA 0.047 4.380 4.320 0.021 0.000 0.214 98 A C -1.187 176.432 177.584 0.059 0.000 1.206 98 A CA 1.017 53.058 52.037 0.007 0.000 0.609 98 A CB -2.213 16.799 19.000 0.019 0.000 0.851 98 A HN 0.445 nan 8.150 nan 0.000 0.445 99 P HA 0.287 nan 4.420 nan 0.000 0.270 99 P C -0.802 176.676 177.300 0.297 0.000 1.223 99 P CA 0.084 63.314 63.100 0.217 0.000 0.785 99 P CB 0.286 32.179 31.700 0.321 0.000 0.923 100 E N 0.934 121.267 120.200 0.222 0.000 2.035 100 E HA 0.168 4.531 4.350 0.021 0.000 0.271 100 E C -0.219 176.550 176.600 0.281 0.000 0.953 100 E CA -0.100 56.425 56.400 0.208 0.000 0.777 100 E CB -0.195 29.544 29.700 0.065 0.000 1.104 100 E HN 0.355 nan 8.360 nan 0.000 0.408 101 Y N 1.342 121.640 120.300 -0.003 0.000 2.517 101 Y HA 0.294 4.857 4.550 0.022 0.000 0.281 101 Y C 1.475 177.351 175.900 -0.040 0.000 1.125 101 Y CA 0.322 58.419 58.100 -0.005 0.000 1.283 101 Y CB -0.315 38.164 38.460 0.032 0.000 1.042 101 Y HN 0.585 nan 8.280 nan 0.000 0.547 102 G N 0.728 109.592 108.800 0.107 0.000 2.757 102 G HA2 -0.175 3.798 3.960 0.021 0.000 0.638 102 G HA3 -0.175 3.798 3.960 0.021 0.000 0.638 102 G C -0.435 174.396 174.900 -0.115 0.000 1.344 102 G CA -0.675 44.389 45.100 -0.060 0.000 0.855 102 G HN 0.277 nan 8.290 nan 0.000 0.537 103 L N -0.610 120.403 121.223 -0.350 0.000 2.717 103 L HA 0.464 4.817 4.340 0.021 0.000 0.281 103 L C 0.261 177.008 176.870 -0.205 0.000 1.329 103 L CA 0.756 55.324 54.840 -0.454 0.000 1.202 103 L CB -1.666 39.914 42.059 -0.797 0.000 1.425 103 L HN 0.660 nan 8.230 nan 0.000 0.438 104 S N 2.413 118.113 115.700 0.000 0.000 2.733 104 S HA 0.462 4.945 4.470 0.021 0.000 0.307 104 S C 0.644 175.321 174.600 0.129 0.000 1.127 104 S CA -0.498 57.693 58.200 -0.016 0.000 1.097 104 S CB 0.962 64.230 63.200 0.113 0.000 1.003 104 S HN 0.336 nan 8.310 nan 0.000 0.477 105 F N 1.400 121.481 119.950 0.218 0.000 2.529 105 F HA 0.007 4.548 4.527 0.023 0.000 0.297 105 F C 2.072 177.938 175.800 0.110 0.000 1.114 105 F CA -0.068 58.019 58.000 0.146 0.000 1.467 105 F CB -0.836 38.228 39.000 0.107 0.000 1.096 105 F HN 0.713 nan 8.300 nan 0.000 0.586 106 A N 0.016 122.991 122.820 0.258 0.000 2.346 106 A HA 0.524 4.857 4.320 0.021 0.000 0.242 106 A C 1.121 178.836 177.584 0.218 0.000 1.323 106 A CA 0.275 52.440 52.037 0.214 0.000 0.940 106 A CB -1.278 17.834 19.000 0.186 0.000 0.943 106 A HN 0.102 nan 8.150 nan 0.000 0.501 107 A N 1.196 124.099 122.820 0.137 0.000 2.269 107 A HA 0.622 4.954 4.320 0.021 0.000 0.302 107 A C -2.230 175.383 177.584 0.048 0.000 1.266 107 A CA -1.393 50.612 52.037 -0.054 0.000 0.894 107 A CB 0.111 18.931 19.000 -0.300 0.000 1.147 107 A HN 0.299 nan 8.150 nan 0.000 0.537 108 P HA 0.134 nan 4.420 nan 0.000 0.291 108 P C 1.362 178.743 177.300 0.136 0.000 1.287 108 P CA -0.400 62.778 63.100 0.130 0.000 0.767 108 P CB 0.278 32.063 31.700 0.141 0.000 1.290 109 L N -0.826 120.498 121.223 0.168 0.000 1.934 109 L HA -0.269 4.084 4.340 0.021 0.000 0.227 109 L C 2.142 179.121 176.870 0.182 0.000 1.084 109 L CA 2.106 57.082 54.840 0.227 0.000 0.790 109 L CB -2.069 40.075 42.059 0.142 0.000 0.896 109 L HN 0.239 nan 8.230 nan 0.000 0.437 110 K N 1.472 121.934 120.400 0.103 0.000 1.963 110 K HA -0.119 4.214 4.320 0.021 0.000 0.216 110 K C 0.721 177.339 176.600 0.030 0.000 1.045 110 K CA 1.208 57.529 56.287 0.058 0.000 0.954 110 K CB -1.207 31.315 32.500 0.037 0.000 0.732 110 K HN 0.607 nan 8.250 nan 0.000 0.442 111 E N 2.417 122.646 120.200 0.048 0.000 2.175 111 E HA 0.104 4.467 4.350 0.021 0.000 0.247 111 E C 0.675 177.240 176.600 -0.059 0.000 1.259 111 E CA -0.099 56.324 56.400 0.039 0.000 0.969 111 E CB -0.648 29.152 29.700 0.167 0.000 1.051 111 E HN 0.561 nan 8.360 nan 0.000 0.448 112 G N 3.622 112.370 108.800 -0.087 0.000 2.614 112 G HA2 -0.277 3.695 3.960 0.021 0.000 0.303 112 G HA3 -0.277 3.695 3.960 0.021 0.000 0.303 112 G C 0.858 175.695 174.900 -0.105 0.000 1.270 112 G CA 0.673 45.693 45.100 -0.133 0.000 0.988 112 G HN 1.540 nan 8.290 nan 0.000 0.551 113 G N -1.209 107.539 108.800 -0.087 0.000 5.219 113 G HA2 -0.129 3.844 3.960 0.021 0.000 0.267 113 G HA3 -0.129 3.844 3.960 0.021 0.000 0.267 113 G C 1.683 176.525 174.900 -0.096 0.000 1.495 113 G CA 2.214 47.309 45.100 -0.008 0.000 0.988 113 G HN 2.394 nan 8.290 nan 0.000 0.707 114 L N -0.128 120.808 121.223 -0.477 0.000 2.239 114 L HA -0.309 4.043 4.340 0.021 0.000 0.242 114 L C 2.346 178.987 176.870 -0.381 0.000 1.130 114 L CA 3.832 57.947 54.840 -1.208 0.000 0.852 114 L CB -0.826 40.442 42.059 -1.318 0.000 0.959 114 L HN 0.729 nan 8.230 nan 0.000 0.447 115 W N -0.198 120.898 121.300 -0.340 0.000 2.274 115 W HA -0.313 4.362 4.660 0.025 0.000 0.333 115 W C 2.548 179.014 176.519 -0.087 0.000 1.290 115 W CA 3.103 60.365 57.345 -0.138 0.000 1.208 115 W CB -0.981 28.339 29.460 -0.233 0.000 1.155 115 W HN 0.334 nan 8.180 nan 0.000 0.462 116 L N -0.430 120.811 121.223 0.030 0.000 2.064 116 L HA -0.385 3.968 4.340 0.021 0.000 0.234 116 L C 2.180 179.000 176.870 -0.083 0.000 1.103 116 L CA 2.385 57.154 54.840 -0.117 0.000 0.824 116 L CB -1.782 40.264 42.059 -0.023 0.000 0.919 116 L HN 0.073 nan 8.230 nan 0.000 0.447 117 I N -0.002 120.608 120.570 0.066 0.000 2.058 117 I HA -0.290 3.893 4.170 0.021 0.000 0.235 117 I C 2.824 179.156 176.117 0.359 0.000 1.053 117 I CA 1.869 63.316 61.300 0.245 0.000 1.313 117 I CB -1.016 37.226 38.000 0.402 0.000 1.039 117 I HN 0.276 nan 8.210 nan 0.000 0.396 118 A N 0.167 123.147 122.820 0.267 0.000 1.859 118 A HA -0.293 4.040 4.320 0.021 0.000 0.218 118 A C 2.478 180.206 177.584 0.240 0.000 1.209 118 A CA 2.943 55.125 52.037 0.242 0.000 0.639 118 A CB -1.419 17.572 19.000 -0.015 0.000 0.835 118 A HN 0.454 nan 8.150 nan 0.000 0.450 119 S N -1.004 114.640 115.700 -0.093 0.000 2.407 119 S HA -0.221 4.261 4.470 0.021 0.000 0.235 119 S C 1.591 176.105 174.600 -0.145 0.000 1.036 119 S CA 1.729 59.723 58.200 -0.343 0.000 1.013 119 S CB -0.620 61.882 63.200 -1.163 0.000 0.820 119 S HN 0.645 nan 8.310 nan 0.000 0.476 120 F N 1.725 121.565 119.950 -0.183 0.000 2.075 120 F HA -0.088 4.450 4.527 0.018 0.000 0.297 120 F C 1.686 177.432 175.800 -0.090 0.000 1.113 120 F CA 1.195 59.074 58.000 -0.201 0.000 1.218 120 F CB -0.726 38.057 39.000 -0.362 0.000 0.984 120 F HN 0.150 nan 8.300 nan 0.000 0.472 121 F N -0.034 119.729 119.950 -0.311 0.000 2.146 121 F HA -0.181 4.357 4.527 0.020 0.000 0.298 121 F C 2.755 178.382 175.800 -0.289 0.000 1.096 121 F CA 1.670 59.425 58.000 -0.408 0.000 1.275 121 F CB -0.779 38.145 39.000 -0.127 0.000 1.008 121 F HN 0.018 nan 8.300 nan 0.000 0.480 122 M N -0.884 118.675 119.600 -0.068 0.000 2.213 122 M HA -0.231 4.262 4.480 0.021 0.000 0.263 122 M C 2.225 178.522 176.300 -0.005 0.000 1.062 122 M CA 1.533 56.636 55.300 -0.327 0.000 1.105 122 M CB -0.338 31.803 32.600 -0.766 0.000 1.385 122 M HN 0.258 nan 8.290 nan 0.000 0.417 123 F N 0.461 120.368 119.950 -0.071 0.000 2.126 123 F HA -0.191 4.356 4.527 0.034 0.000 0.299 123 F C 1.694 177.534 175.800 0.068 0.000 1.096 123 F CA 1.848 59.881 58.000 0.056 0.000 1.255 123 F CB -0.754 38.130 39.000 -0.192 0.000 0.997 123 F HN -0.031 nan 8.300 nan 0.000 0.479 124 V N 0.935 120.618 119.914 -0.385 0.000 2.239 124 V HA -0.168 3.965 4.120 0.021 0.000 0.242 124 V C 2.824 178.837 176.094 -0.136 0.000 1.038 124 V CA 1.574 63.649 62.300 -0.375 0.000 1.002 124 V CB -2.026 29.564 31.823 -0.389 0.000 0.641 124 V HN 0.454 nan 8.190 nan 0.000 0.449 125 A N 0.659 123.410 122.820 -0.115 0.000 1.887 125 A HA -0.315 4.018 4.320 0.021 0.000 0.225 125 A C 2.389 179.960 177.584 -0.021 0.000 1.464 125 A CA 3.450 55.450 52.037 -0.062 0.000 0.717 125 A CB -1.436 17.477 19.000 -0.145 0.000 0.848 125 A HN 0.363 nan 8.150 nan 0.000 0.477 126 V N -2.674 117.152 119.914 -0.147 0.000 2.287 126 V HA -0.320 3.813 4.120 0.021 0.000 0.248 126 V C 2.257 178.384 176.094 0.056 0.000 1.053 126 V CA 2.237 64.456 62.300 -0.135 0.000 1.027 126 V CB -1.124 30.395 31.823 -0.506 0.000 0.646 126 V HN 0.756 nan 8.190 nan 0.000 0.447 127 W N 0.892 122.194 121.300 0.004 0.000 2.342 127 W HA -0.199 4.468 4.660 0.012 0.000 0.297 127 W C 2.858 179.468 176.519 0.151 0.000 1.213 127 W CA 1.770 59.140 57.345 0.042 0.000 1.251 127 W CB -0.382 28.928 29.460 -0.251 0.000 1.136 127 W HN 0.328 nan 8.180 nan 0.000 0.526 128 S N -1.788 114.077 115.700 0.275 0.000 2.453 128 S HA -0.183 4.300 4.470 0.021 0.000 0.231 128 S C 1.448 176.155 174.600 0.179 0.000 1.005 128 S CA 0.608 58.933 58.200 0.208 0.000 0.949 128 S CB -0.862 62.412 63.200 0.123 0.000 0.774 128 S HN 0.456 nan 8.310 nan 0.000 0.510 129 W N 0.611 121.923 121.300 0.020 0.000 2.770 129 W HA 0.136 4.813 4.660 0.029 0.000 0.256 129 W C 1.402 177.869 176.519 -0.086 0.000 1.291 129 W CA -0.164 57.122 57.345 -0.098 0.000 1.396 129 W CB -0.169 29.159 29.460 -0.220 0.000 1.114 129 W HN 0.503 nan 8.180 nan 0.000 0.637 130 W N 1.456 122.786 121.300 0.050 0.000 2.518 130 W HA 0.044 4.698 4.660 -0.010 0.000 0.273 130 W C 2.216 178.774 176.519 0.066 0.000 1.247 130 W CA 2.373 59.775 57.345 0.095 0.000 1.288 130 W CB -0.565 28.986 29.460 0.152 0.000 1.107 130 W HN -0.158 nan 8.180 nan 0.000 0.586 131 G N 0.914 109.893 108.800 0.299 0.000 2.552 131 G HA2 -0.312 3.661 3.960 0.021 0.000 0.216 131 G HA3 -0.312 3.661 3.960 0.021 0.000 0.216 131 G C 1.518 176.322 174.900 -0.161 0.000 1.240 131 G CA 1.374 46.569 45.100 0.158 0.000 0.796 131 G HN 0.202 nan 8.290 nan 0.000 0.568 132 R N -0.146 120.157 120.500 -0.328 0.000 2.222 132 R HA -0.214 4.138 4.340 0.021 0.000 0.235 132 R C 2.897 178.938 176.300 -0.433 0.000 1.112 132 R CA 2.753 58.558 56.100 -0.492 0.000 0.897 132 R CB -1.414 28.360 30.300 -0.876 0.000 0.882 132 R HN 0.462 nan 8.270 nan 0.000 0.429 133 T N -0.636 113.610 114.554 -0.513 0.000 2.856 133 T HA -0.287 4.076 4.350 0.021 0.000 0.260 133 T C 1.423 175.905 174.700 -0.363 0.000 1.043 133 T CA 1.983 63.815 62.100 -0.446 0.000 1.155 133 T CB -0.462 68.100 68.868 -0.511 0.000 0.825 133 T HN 0.319 nan 8.240 nan 0.000 0.503 134 Y N 0.926 120.928 120.300 -0.496 0.000 2.266 134 Y HA 0.271 4.843 4.550 0.037 0.000 0.294 134 Y C 2.044 177.773 175.900 -0.285 0.000 1.127 134 Y CA -0.295 57.553 58.100 -0.420 0.000 1.140 134 Y CB -0.617 37.551 38.460 -0.486 0.000 1.071 134 Y HN 0.017 nan 8.280 nan 0.000 0.525 135 L N 0.274 121.453 121.223 -0.073 0.000 2.017 135 L HA -0.182 4.171 4.340 0.021 0.000 0.208 135 L C 2.411 179.205 176.870 -0.128 0.000 1.073 135 L CA 1.670 56.434 54.840 -0.126 0.000 0.745 135 L CB -1.545 40.420 42.059 -0.156 0.000 0.894 135 L HN 0.111 nan 8.230 nan 0.000 0.432 136 R N -0.078 120.307 120.500 -0.192 0.000 2.241 136 R HA -0.032 4.321 4.340 0.021 0.000 0.224 136 R C 2.040 178.257 176.300 -0.138 0.000 1.101 136 R CA 1.153 57.134 56.100 -0.198 0.000 0.995 136 R CB -0.314 29.809 30.300 -0.294 0.000 0.870 136 R HN 0.361 nan 8.270 nan 0.000 0.463 137 A N -0.777 121.968 122.820 -0.126 0.000 1.984 137 A HA -0.044 4.289 4.320 0.021 0.000 0.214 137 A C 1.970 179.510 177.584 -0.074 0.000 1.173 137 A CA 0.734 52.702 52.037 -0.115 0.000 0.673 137 A CB -0.268 18.635 19.000 -0.162 0.000 0.830 137 A HN 0.417 nan 8.150 nan 0.000 0.453 138 Q N -0.375 119.402 119.800 -0.039 0.000 2.172 138 Q HA -0.024 4.328 4.340 0.021 0.000 0.200 138 Q C 1.961 177.935 176.000 -0.043 0.000 0.964 138 Q CA 1.022 56.805 55.803 -0.033 0.000 0.855 138 Q CB -0.285 28.430 28.738 -0.038 0.000 0.918 138 Q HN 0.602 nan 8.270 nan 0.000 0.444 139 A N 0.200 122.994 122.820 -0.042 0.000 2.234 139 A HA -0.169 4.164 4.320 0.021 0.000 0.216 139 A C 1.497 179.068 177.584 -0.021 0.000 1.167 139 A CA 1.628 53.651 52.037 -0.023 0.000 0.698 139 A CB -0.171 18.830 19.000 0.001 0.000 0.779 139 A HN 0.538 nan 8.150 nan 0.000 0.475 140 M N -5.063 114.517 119.600 -0.034 0.000 1.778 140 M HA 0.340 4.832 4.480 0.021 0.000 0.187 140 M C 1.216 177.491 176.300 -0.041 0.000 1.383 140 M CA 1.307 56.587 55.300 -0.033 0.000 0.883 140 M CB -0.383 32.198 32.600 -0.031 0.000 1.599 140 M HN 0.334 nan 8.290 nan 0.000 0.592 141 G N 0.209 108.978 108.800 -0.053 0.000 3.249 141 G HA2 0.283 4.256 3.960 0.021 0.000 0.124 141 G HA3 0.283 4.256 3.960 0.021 0.000 0.124 141 G C -0.252 174.595 174.900 -0.088 0.000 1.128 141 G CA 0.135 45.196 45.100 -0.065 0.000 1.461 141 G HN 0.157 nan 8.290 nan 0.000 0.683 142 M N 1.831 121.377 119.600 -0.091 0.000 2.140 142 M HA -0.171 4.322 4.480 0.021 0.000 0.191 142 M C 1.608 177.805 176.300 -0.172 0.000 0.454 142 M CA 0.990 56.222 55.300 -0.113 0.000 0.403 142 M CB -2.869 29.668 32.600 -0.106 0.000 1.031 142 M HN 1.886 nan 8.290 nan 0.000 0.937 143 G N 0.946 109.624 108.800 -0.202 0.000 2.896 143 G HA2 -0.375 3.598 3.960 0.021 0.000 0.412 143 G HA3 -0.375 3.598 3.960 0.021 0.000 0.412 143 G C 1.199 175.890 174.900 -0.349 0.000 0.986 143 G CA 1.798 46.710 45.100 -0.314 0.000 0.812 143 G HN 0.616 nan 8.290 nan 0.000 0.907 144 K N -2.860 117.254 120.400 -0.477 0.000 2.770 144 K HA 0.224 4.557 4.320 0.021 0.000 0.195 144 K C 1.870 178.269 176.600 -0.334 0.000 1.515 144 K CA 0.643 56.618 56.287 -0.520 0.000 1.199 144 K CB 0.048 32.101 32.500 -0.744 0.000 1.681 144 K HN 0.606 nan 8.250 nan 0.000 0.586 145 H N -0.115 118.829 119.070 -0.210 0.000 2.200 145 H HA -0.340 4.229 4.556 0.022 0.000 0.244 145 H C 1.851 177.132 175.328 -0.078 0.000 1.176 145 H CA 2.098 58.086 56.048 -0.101 0.000 1.304 145 H CB -0.351 29.349 29.762 -0.102 0.000 1.592 145 H HN 0.213 nan 8.280 nan 0.000 0.603 146 T N -0.508 114.057 114.554 0.019 0.000 2.881 146 T HA -0.088 4.274 4.350 0.021 0.000 0.270 146 T C 1.961 176.624 174.700 -0.061 0.000 1.068 146 T CA 1.158 63.236 62.100 -0.037 0.000 1.131 146 T CB -0.276 68.541 68.868 -0.085 0.000 0.871 146 T HN 0.486 nan 8.240 nan 0.000 0.479 147 A N 0.007 122.745 122.820 -0.138 0.000 1.861 147 A HA 0.153 4.486 4.320 0.021 0.000 0.212 147 A C 2.288 179.977 177.584 0.175 0.000 1.199 147 A CA 0.693 52.603 52.037 -0.212 0.000 0.613 147 A CB -1.272 17.363 19.000 -0.608 0.000 0.846 147 A HN 0.756 nan 8.150 nan 0.000 0.446 148 W N 0.236 121.473 121.300 -0.105 0.000 2.331 148 W HA -0.237 4.430 4.660 0.013 0.000 0.291 148 W C 2.539 179.072 176.519 0.024 0.000 1.214 148 W CA 0.956 58.315 57.345 0.024 0.000 1.228 148 W CB 0.095 29.545 29.460 -0.016 0.000 1.135 148 W HN 0.493 nan 8.180 nan 0.000 0.537 149 A N -0.535 122.389 122.820 0.174 0.000 1.930 149 A HA -0.241 4.092 4.320 0.021 0.000 0.217 149 A C 1.569 179.220 177.584 0.111 0.000 1.175 149 A CA 1.333 53.396 52.037 0.043 0.000 0.627 149 A CB -1.204 17.793 19.000 -0.005 0.000 0.815 149 A HN 0.350 nan 8.150 nan 0.000 0.443 150 F N 0.246 120.220 119.950 0.040 0.000 2.234 150 F HA -0.031 4.505 4.527 0.015 0.000 0.299 150 F C 1.777 177.642 175.800 0.109 0.000 1.087 150 F CA 0.775 58.810 58.000 0.059 0.000 1.340 150 F CB -0.289 38.748 39.000 0.061 0.000 1.031 150 F HN 0.174 nan 8.300 nan 0.000 0.500 151 L N -0.819 120.475 121.223 0.118 0.000 2.043 151 L HA -0.320 4.033 4.340 0.021 0.000 0.212 151 L C 2.735 179.515 176.870 -0.150 0.000 1.075 151 L CA 1.869 56.666 54.840 -0.071 0.000 0.752 151 L CB -0.763 41.236 42.059 -0.100 0.000 0.891 151 L HN 0.254 nan 8.230 nan 0.000 0.432 152 S N -0.867 114.774 115.700 -0.099 0.000 2.365 152 S HA -0.251 4.231 4.470 0.021 0.000 0.225 152 S C 2.038 176.656 174.600 0.030 0.000 1.039 152 S CA 1.474 59.664 58.200 -0.017 0.000 1.033 152 S CB -0.170 63.014 63.200 -0.027 0.000 0.887 152 S HN 0.585 nan 8.310 nan 0.000 0.447 153 A N 1.720 124.469 122.820 -0.118 0.000 1.877 153 A HA -0.028 4.304 4.320 0.021 0.000 0.216 153 A C 2.188 179.626 177.584 -0.242 0.000 1.186 153 A CA 1.490 53.430 52.037 -0.161 0.000 0.620 153 A CB -0.868 18.033 19.000 -0.165 0.000 0.822 153 A HN 0.576 nan 8.150 nan 0.000 0.443 154 I N -0.515 119.692 120.570 -0.606 0.000 2.423 154 I HA -0.220 3.963 4.170 0.021 0.000 0.254 154 I C 2.242 178.417 176.117 0.098 0.000 1.151 154 I CA 1.371 62.404 61.300 -0.444 0.000 1.421 154 I CB -0.668 36.762 38.000 -0.949 0.000 1.079 154 I HN 0.789 nan 8.210 nan 0.000 0.431 155 W N 1.381 122.619 121.300 -0.104 0.000 2.329 155 W HA -0.294 4.377 4.660 0.017 0.000 0.324 155 W C 2.319 178.869 176.519 0.052 0.000 1.222 155 W CA 1.510 58.855 57.345 -0.001 0.000 1.270 155 W CB -0.982 28.448 29.460 -0.049 0.000 1.167 155 W HN 0.156 nan 8.180 nan 0.000 0.467 156 L N 1.692 122.726 121.223 -0.316 0.000 2.079 156 L HA -0.240 4.112 4.340 0.021 0.000 0.210 156 L C 2.652 179.411 176.870 -0.184 0.000 1.081 156 L CA 2.543 57.137 54.840 -0.411 0.000 0.752 156 L CB -1.219 40.751 42.059 -0.147 0.000 0.896 156 L HN 0.396 nan 8.230 nan 0.000 0.433 157 W N 0.356 121.542 121.300 -0.191 0.000 2.335 157 W HA -0.274 4.396 4.660 0.017 0.000 0.311 157 W C 2.001 178.489 176.519 -0.050 0.000 1.213 157 W CA 1.521 58.797 57.345 -0.114 0.000 1.274 157 W CB -0.502 28.880 29.460 -0.130 0.000 1.148 157 W HN 0.184 nan 8.180 nan 0.000 0.498 158 M N 0.754 120.134 119.600 -0.367 0.000 2.200 158 M HA -0.155 4.337 4.480 0.021 0.000 0.265 158 M C 2.076 178.254 176.300 -0.203 0.000 1.066 158 M CA 1.289 56.408 55.300 -0.301 0.000 1.127 158 M CB -1.137 31.529 32.600 0.110 0.000 1.379 158 M HN -0.099 nan 8.290 nan 0.000 0.420 159 V N 0.410 120.095 119.914 -0.382 0.000 2.295 159 V HA -0.253 3.880 4.120 0.021 0.000 0.246 159 V C 2.378 178.334 176.094 -0.229 0.000 1.049 159 V CA 1.265 63.311 62.300 -0.423 0.000 1.024 159 V CB -0.789 30.572 31.823 -0.771 0.000 0.648 159 V HN 0.324 nan 8.190 nan 0.000 0.447 160 L N 0.725 121.815 121.223 -0.221 0.000 2.201 160 L HA 0.047 4.399 4.340 0.021 0.000 0.212 160 L C 1.930 178.724 176.870 -0.127 0.000 1.105 160 L CA 2.233 56.983 54.840 -0.149 0.000 0.775 160 L CB -0.915 41.055 42.059 -0.150 0.000 0.913 160 L HN 0.395 nan 8.230 nan 0.000 0.440 161 G N -4.034 104.688 108.800 -0.130 0.000 3.443 161 G HA2 -0.006 3.967 3.960 0.021 0.000 0.252 161 G HA3 -0.006 3.967 3.960 0.021 0.000 0.252 161 G C 0.736 175.795 174.900 0.265 0.000 1.015 161 G CA 0.122 45.233 45.100 0.019 0.000 0.891 161 G HN 0.265 nan 8.290 nan 0.000 0.510 162 F N 0.597 120.526 119.950 -0.036 0.000 2.282 162 F HA 0.397 4.940 4.527 0.027 0.000 0.255 162 F C 2.018 177.869 175.800 0.085 0.000 0.959 162 F CA -0.036 58.024 58.000 0.099 0.000 1.170 162 F CB -0.275 38.693 39.000 -0.053 0.000 1.376 162 F HN -0.121 nan 8.300 nan 0.000 0.709 163 I N 1.569 122.046 120.570 -0.155 0.000 2.052 163 I HA -0.324 3.859 4.170 0.021 0.000 0.235 163 I C 2.564 178.563 176.117 -0.196 0.000 1.046 163 I CA 2.112 63.256 61.300 -0.260 0.000 1.308 163 I CB -1.464 36.466 38.000 -0.118 0.000 1.031 163 I HN 0.269 nan 8.210 nan 0.000 0.395 164 R N 1.312 121.748 120.500 -0.106 0.000 2.113 164 R HA -0.183 4.169 4.340 0.021 0.000 0.244 164 R C -0.508 175.752 176.300 -0.066 0.000 1.142 164 R CA 2.283 58.355 56.100 -0.047 0.000 0.953 164 R CB -1.290 29.034 30.300 0.040 0.000 0.860 164 R HN 0.233 nan 8.270 nan 0.000 0.438 165 P HA -0.114 nan 4.420 nan 0.000 0.222 165 P C 0.904 178.005 177.300 -0.331 0.000 1.147 165 P CA 1.166 64.201 63.100 -0.108 0.000 0.790 165 P CB 0.005 31.727 31.700 0.036 0.000 0.780 166 I N -1.696 118.638 120.570 -0.392 0.000 2.928 166 I HA -0.090 4.093 4.170 0.021 0.000 0.266 166 I C 1.759 177.681 176.117 -0.325 0.000 1.234 166 I CA 0.911 61.910 61.300 -0.502 0.000 1.483 166 I CB -0.086 37.563 38.000 -0.586 0.000 1.097 166 I HN -0.033 nan 8.210 nan 0.000 0.455 167 L N -0.377 120.710 121.223 -0.226 0.000 2.463 167 L HA 0.019 4.372 4.340 0.021 0.000 0.219 167 L C 1.920 178.709 176.870 -0.135 0.000 1.088 167 L CA 0.272 55.021 54.840 -0.152 0.000 0.849 167 L CB -0.046 41.954 42.059 -0.097 0.000 1.012 167 L HN 0.192 nan 8.230 nan 0.000 0.468 168 M N -0.446 119.070 119.600 -0.140 0.000 2.495 168 M HA 0.278 4.770 4.480 0.021 0.000 0.237 168 M C 1.267 177.470 176.300 -0.160 0.000 1.131 168 M CA 0.402 55.632 55.300 -0.118 0.000 1.032 168 M CB -0.991 31.561 32.600 -0.079 0.000 1.513 168 M HN 0.246 nan 8.290 nan 0.000 0.488 169 G N 2.617 111.282 108.800 -0.226 0.000 2.323 169 G HA2 -0.197 3.776 3.960 0.021 0.000 0.292 169 G HA3 -0.197 3.776 3.960 0.021 0.000 0.292 169 G C 0.012 174.739 174.900 -0.289 0.000 1.040 169 G CA 0.681 45.621 45.100 -0.267 0.000 0.942 169 G HN 0.750 nan 8.290 nan 0.000 0.506 170 S N -2.009 113.476 115.700 -0.357 0.000 2.582 170 S HA 0.371 4.854 4.470 0.021 0.000 0.296 170 S C 0.536 174.983 174.600 -0.255 0.000 1.118 170 S CA 0.160 58.183 58.200 -0.296 0.000 0.947 170 S CB 0.011 63.129 63.200 -0.136 0.000 1.131 170 S HN 0.516 nan 8.310 nan 0.000 0.453 171 W N 2.909 124.136 121.300 -0.122 0.000 2.402 171 W HA -0.057 4.615 4.660 0.021 0.000 0.286 171 W C 2.751 179.068 176.519 -0.337 0.000 1.221 171 W CA 0.973 58.173 57.345 -0.242 0.000 1.257 171 W CB -0.465 28.847 29.460 -0.246 0.000 1.120 171 W HN 0.961 nan 8.180 nan 0.000 0.551 172 S N 0.725 116.405 115.700 -0.033 0.000 2.422 172 S HA -0.300 4.183 4.470 0.021 0.000 0.241 172 S C 0.966 175.574 174.600 0.013 0.000 1.076 172 S CA 1.667 59.831 58.200 -0.060 0.000 1.066 172 S CB -0.728 62.468 63.200 -0.008 0.000 0.890 172 S HN 0.280 nan 8.310 nan 0.000 0.465 173 E N 1.740 121.984 120.200 0.074 0.000 2.676 173 E HA 0.455 4.818 4.350 0.021 0.000 0.318 173 E C 0.488 177.182 176.600 0.155 0.000 1.514 173 E CA 0.507 57.071 56.400 0.274 0.000 1.667 173 E CB -0.236 29.579 29.700 0.192 0.000 1.336 173 E HN 0.699 nan 8.360 nan 0.000 0.492 174 A N 0.353 123.073 122.820 -0.168 0.000 2.571 174 A HA 0.136 4.469 4.320 0.021 0.000 0.274 174 A C 0.911 178.105 177.584 -0.650 0.000 1.196 174 A CA -0.324 51.374 52.037 -0.565 0.000 0.957 174 A CB 0.443 18.536 19.000 -1.513 0.000 1.150 174 A HN 0.165 nan 8.150 nan 0.000 0.539 175 V N 0.699 119.875 119.914 -1.231 0.000 5.637 175 V HA -0.154 3.979 4.120 0.021 0.000 0.246 175 V C -2.148 173.591 176.094 -0.591 0.000 0.678 175 V CA 0.519 61.923 62.300 -1.494 0.000 0.578 175 V CB -1.367 29.616 31.823 -1.399 0.000 0.235 175 V HN 0.525 nan 8.190 nan 0.000 0.609 176 P HA 0.250 nan 4.420 nan 0.000 0.280 176 P C -0.310 176.831 177.300 -0.264 0.000 1.278 176 P CA 0.082 62.958 63.100 -0.374 0.000 0.787 176 P CB 0.307 31.826 31.700 -0.302 0.000 1.163 177 Y N -1.128 119.265 120.300 0.156 0.000 2.326 177 Y HA 0.610 5.173 4.550 0.021 0.000 0.324 177 Y C 1.369 177.296 175.900 0.044 0.000 1.291 177 Y CA -0.010 58.118 58.100 0.046 0.000 1.348 177 Y CB 0.034 38.439 38.460 -0.092 0.000 1.294 177 Y HN 0.745 nan 8.280 nan 0.000 0.525 178 G N 0.005 108.943 108.800 0.229 0.000 2.381 178 G HA2 -0.050 3.923 3.960 0.021 0.000 0.672 178 G HA3 -0.050 3.923 3.960 0.021 0.000 0.672 178 G C -0.411 174.583 174.900 0.157 0.000 1.324 178 G CA -0.432 44.849 45.100 0.301 0.000 0.975 178 G HN 0.577 nan 8.290 nan 0.000 0.593 179 I N -0.706 119.922 120.570 0.098 0.000 3.700 179 I HA 0.202 4.385 4.170 0.021 0.000 0.232 179 I C 2.424 178.635 176.117 0.156 0.000 1.033 179 I CA 0.035 61.308 61.300 -0.046 0.000 1.525 179 I CB -0.321 37.419 38.000 -0.434 0.000 1.411 179 I HN 0.433 nan 8.210 nan 0.000 0.458 180 F N 1.390 121.266 119.950 -0.123 0.000 2.111 180 F HA -0.316 4.224 4.527 0.021 0.000 0.300 180 F C 2.993 178.831 175.800 0.064 0.000 1.088 180 F CA 1.761 59.713 58.000 -0.081 0.000 1.243 180 F CB -0.979 37.923 39.000 -0.163 0.000 0.996 180 F HN 0.054 nan 8.300 nan 0.000 0.483 181 S N -1.108 114.784 115.700 0.319 0.000 2.383 181 S HA -0.193 4.290 4.470 0.021 0.000 0.227 181 S C 2.255 177.007 174.600 0.254 0.000 1.026 181 S CA 1.215 59.561 58.200 0.245 0.000 0.981 181 S CB -0.608 62.724 63.200 0.221 0.000 0.818 181 S HN 0.654 nan 8.310 nan 0.000 0.472 182 H N 0.653 119.798 119.070 0.125 0.000 2.457 182 H HA 0.011 4.580 4.556 0.022 0.000 0.294 182 H C 2.125 177.545 175.328 0.154 0.000 1.064 182 H CA 1.298 57.403 56.048 0.095 0.000 1.330 182 H CB -0.853 28.937 29.762 0.046 0.000 1.395 182 H HN 0.428 nan 8.280 nan 0.000 0.541 183 L N 1.424 122.551 121.223 -0.161 0.000 2.141 183 L HA -0.093 4.259 4.340 0.021 0.000 0.209 183 L C 1.994 178.860 176.870 -0.006 0.000 1.094 183 L CA 1.939 56.661 54.840 -0.197 0.000 0.763 183 L CB -0.648 41.417 42.059 0.011 0.000 0.908 183 L HN 0.185 nan 8.230 nan 0.000 0.437 184 D N -1.891 118.557 120.400 0.080 0.000 2.216 184 D HA -0.207 4.446 4.640 0.021 0.000 0.208 184 D C 1.931 178.316 176.300 0.141 0.000 0.960 184 D CA 0.683 54.730 54.000 0.079 0.000 0.861 184 D CB -0.227 40.610 40.800 0.062 0.000 0.985 184 D HN 0.498 nan 8.370 nan 0.000 0.493 185 W N 1.797 123.095 121.300 -0.003 0.000 2.338 185 W HA -0.247 4.428 4.660 0.023 0.000 0.304 185 W C 2.132 178.657 176.519 0.010 0.000 1.212 185 W CA 3.037 60.389 57.345 0.012 0.000 1.264 185 W CB -0.471 28.999 29.460 0.016 0.000 1.142 185 W HN -0.014 nan 8.180 nan 0.000 0.512 186 T N -1.841 112.947 114.554 0.390 0.000 2.881 186 T HA -0.255 4.108 4.350 0.021 0.000 0.270 186 T C 1.453 176.142 174.700 -0.018 0.000 1.068 186 T CA 1.695 63.906 62.100 0.185 0.000 1.131 186 T CB -0.848 68.084 68.868 0.106 0.000 0.871 186 T HN 0.517 nan 8.240 nan 0.000 0.479 187 N N 2.093 120.786 118.700 -0.011 0.000 2.124 187 N HA -0.079 4.674 4.740 0.021 0.000 0.188 187 N C 1.893 177.364 175.510 -0.065 0.000 1.045 187 N CA 1.059 54.086 53.050 -0.038 0.000 0.846 187 N CB -0.155 38.323 38.487 -0.015 0.000 1.020 187 N HN 0.633 nan 8.380 nan 0.000 0.432 188 N N 0.109 118.759 118.700 -0.083 0.000 2.575 188 N HA -0.144 4.609 4.740 0.021 0.000 0.192 188 N C 1.203 176.588 175.510 -0.207 0.000 1.200 188 N CA 0.067 53.049 53.050 -0.113 0.000 0.897 188 N CB -0.239 38.197 38.487 -0.086 0.000 0.990 188 N HN 0.313 nan 8.380 nan 0.000 0.449 189 F N 2.832 122.504 119.950 -0.463 0.000 2.186 189 F HA -0.122 4.418 4.527 0.022 0.000 0.299 189 F C 2.578 178.122 175.800 -0.426 0.000 1.090 189 F CA 1.520 59.110 58.000 -0.683 0.000 1.307 189 F CB -0.126 38.292 39.000 -0.969 0.000 1.019 189 F HN 0.153 nan 8.300 nan 0.000 0.489 190 S N -0.120 115.542 115.700 -0.062 0.000 2.406 190 S HA -0.009 4.474 4.470 0.021 0.000 0.224 190 S C 1.568 176.178 174.600 0.016 0.000 1.030 190 S CA 0.408 58.602 58.200 -0.010 0.000 0.958 190 S CB -0.852 62.304 63.200 -0.074 0.000 0.811 190 S HN 0.330 nan 8.310 nan 0.000 0.489 191 L N 2.000 123.211 121.223 -0.020 0.000 2.873 191 L HA 0.286 4.639 4.340 0.021 0.000 0.252 191 L C 0.313 177.179 176.870 -0.006 0.000 1.266 191 L CA 0.182 55.024 54.840 0.003 0.000 1.111 191 L CB 0.169 42.221 42.059 -0.011 0.000 1.440 191 L HN 0.306 nan 8.230 nan 0.000 0.427 192 V N -2.264 117.660 119.914 0.016 0.000 3.410 192 V HA -0.033 4.100 4.120 0.021 0.000 0.257 192 V C 0.647 176.762 176.094 0.036 0.000 1.757 192 V CA -0.110 62.197 62.300 0.012 0.000 1.047 192 V CB 0.280 32.092 31.823 -0.019 0.000 0.915 192 V HN 0.400 nan 8.190 nan 0.000 0.371 193 H N 1.000 119.995 119.070 -0.126 0.000 2.542 193 H HA 0.604 5.173 4.556 0.022 0.000 0.283 193 H C 1.003 176.449 175.328 0.196 0.000 1.059 193 H CA 0.213 56.239 56.048 -0.036 0.000 1.162 193 H CB 0.527 30.218 29.762 -0.118 0.000 1.539 193 H HN 0.447 nan 8.280 nan 0.000 0.543 194 G N 1.491 110.425 108.800 0.223 0.000 3.414 194 G HA2 -0.296 3.677 3.960 0.021 0.000 0.504 194 G HA3 -0.296 3.677 3.960 0.021 0.000 0.504 194 G C -0.261 174.851 174.900 0.353 0.000 0.936 194 G CA -0.272 45.000 45.100 0.286 0.000 0.748 194 G HN 0.582 nan 8.290 nan 0.000 0.408 195 N N 0.338 119.204 118.700 0.276 0.000 2.391 195 N HA -0.115 4.638 4.740 0.021 0.000 0.316 195 N C 1.858 177.509 175.510 0.234 0.000 1.189 195 N CA 0.654 53.850 53.050 0.243 0.000 0.861 195 N CB 0.061 38.694 38.487 0.244 0.000 1.098 195 N HN 0.908 nan 8.380 nan 0.000 0.558 196 L N 3.663 124.919 121.223 0.054 0.000 2.211 196 L HA -0.208 4.144 4.340 0.021 0.000 0.216 196 L C 1.261 178.088 176.870 -0.072 0.000 1.092 196 L CA 1.741 56.511 54.840 -0.116 0.000 0.767 196 L CB -0.529 41.332 42.059 -0.330 0.000 0.894 196 L HN 0.618 nan 8.230 nan 0.000 0.437 197 F N -2.071 117.857 119.950 -0.037 0.000 2.373 197 F HA -0.246 4.295 4.527 0.022 0.000 0.300 197 F C 1.804 177.537 175.800 -0.110 0.000 1.080 197 F CA 1.060 59.014 58.000 -0.076 0.000 1.417 197 F CB -0.685 38.186 39.000 -0.215 0.000 1.070 197 F HN 0.150 nan 8.300 nan 0.000 0.546 198 Y N -0.915 119.505 120.300 0.199 0.000 2.516 198 Y HA -0.027 4.535 4.550 0.021 0.000 0.291 198 Y C 1.280 177.250 175.900 0.116 0.000 1.131 198 Y CA -0.136 58.077 58.100 0.189 0.000 1.281 198 Y CB -0.782 37.849 38.460 0.286 0.000 1.013 198 Y HN -0.110 nan 8.280 nan 0.000 0.554 199 N N 1.516 120.189 118.700 -0.045 0.000 2.470 199 N HA 0.025 4.778 4.740 0.021 0.000 0.268 199 N C -2.085 173.258 175.510 -0.278 0.000 1.136 199 N CA -1.744 50.950 53.050 -0.593 0.000 0.961 199 N CB 1.433 39.054 38.487 -1.442 0.000 1.067 199 N HN -0.061 nan 8.380 nan 0.000 0.468 200 P HA -0.027 nan 4.420 nan 0.000 0.218 200 P C 0.854 178.060 177.300 -0.157 0.000 1.149 200 P CA 1.055 64.059 63.100 -0.160 0.000 0.817 200 P CB 0.095 31.662 31.700 -0.222 0.000 0.785 201 F N -1.567 118.308 119.950 -0.125 0.000 2.118 201 F HA -0.081 4.460 4.527 0.023 0.000 0.293 201 F C 2.624 178.377 175.800 -0.078 0.000 1.102 201 F CA 0.865 58.820 58.000 -0.075 0.000 1.247 201 F CB -1.848 37.127 39.000 -0.041 0.000 1.017 201 F HN 0.109 nan 8.300 nan 0.000 0.475 202 H N -0.075 118.975 119.070 -0.033 0.000 2.489 202 H HA -0.111 4.457 4.556 0.021 0.000 0.295 202 H C 2.177 177.453 175.328 -0.086 0.000 1.082 202 H CA 1.226 57.219 56.048 -0.092 0.000 1.295 202 H CB -0.234 29.406 29.762 -0.203 0.000 1.380 202 H HN 0.337 nan 8.280 nan 0.000 0.548 203 G N 0.962 109.662 108.800 -0.166 0.000 2.394 203 G HA2 -0.148 3.825 3.960 0.021 0.000 0.214 203 G HA3 -0.148 3.825 3.960 0.021 0.000 0.214 203 G C 1.886 176.668 174.900 -0.196 0.000 1.176 203 G CA 0.251 45.232 45.100 -0.198 0.000 0.786 203 G HN 0.364 nan 8.290 nan 0.000 0.533 204 L N 0.542 121.692 121.223 -0.121 0.000 2.156 204 L HA -0.027 4.326 4.340 0.021 0.000 0.208 204 L C 3.059 179.794 176.870 -0.225 0.000 1.095 204 L CA 1.108 55.814 54.840 -0.223 0.000 0.770 204 L CB -0.188 41.773 42.059 -0.164 0.000 0.914 204 L HN 0.353 nan 8.230 nan 0.000 0.439 205 S N 0.246 115.909 115.700 -0.063 0.000 2.359 205 S HA -0.245 4.238 4.470 0.021 0.000 0.224 205 S C 1.985 176.557 174.600 -0.046 0.000 1.035 205 S CA 1.637 59.857 58.200 0.033 0.000 1.018 205 S CB -0.238 62.991 63.200 0.049 0.000 0.876 205 S HN 0.476 nan 8.310 nan 0.000 0.448 206 I N 0.914 121.339 120.570 -0.241 0.000 2.286 206 I HA -0.119 4.064 4.170 0.021 0.000 0.248 206 I C 2.281 178.159 176.117 -0.399 0.000 1.115 206 I CA 1.395 62.461 61.300 -0.391 0.000 1.392 206 I CB -0.529 37.116 38.000 -0.591 0.000 1.065 206 I HN 0.377 nan 8.210 nan 0.000 0.418 207 A N 0.814 123.467 122.820 -0.278 0.000 1.902 207 A HA -0.198 4.135 4.320 0.021 0.000 0.217 207 A C 1.966 179.590 177.584 0.067 0.000 1.181 207 A CA 1.513 53.455 52.037 -0.159 0.000 0.623 207 A CB -0.967 17.892 19.000 -0.235 0.000 0.818 207 A HN 0.499 nan 8.150 nan 0.000 0.443 208 F N -0.730 119.228 119.950 0.012 0.000 2.206 208 F HA -0.015 4.526 4.527 0.022 0.000 0.298 208 F C 2.021 177.871 175.800 0.083 0.000 1.090 208 F CA 0.578 58.616 58.000 0.062 0.000 1.323 208 F CB -0.896 38.147 39.000 0.073 0.000 1.028 208 F HN 0.257 nan 8.300 nan 0.000 0.492 209 L N -0.453 120.923 121.223 0.254 0.000 1.970 209 L HA -0.258 4.095 4.340 0.021 0.000 0.212 209 L C 2.234 179.287 176.870 0.306 0.000 1.071 209 L CA 2.038 57.010 54.840 0.221 0.000 0.751 209 L CB -1.456 40.706 42.059 0.172 0.000 0.889 209 L HN 0.058 nan 8.230 nan 0.000 0.432 210 Y N 0.656 121.013 120.300 0.095 0.000 2.256 210 Y HA -0.071 4.491 4.550 0.021 0.000 0.288 210 Y C 2.597 178.545 175.900 0.079 0.000 1.155 210 Y CA 0.822 58.967 58.100 0.074 0.000 1.203 210 Y CB -1.572 36.921 38.460 0.054 0.000 0.980 210 Y HN 0.330 nan 8.280 nan 0.000 0.530 211 G N -1.431 107.533 108.800 0.274 0.000 2.432 211 G HA2 -0.198 3.775 3.960 0.021 0.000 0.219 211 G HA3 -0.198 3.775 3.960 0.021 0.000 0.219 211 G C 1.936 176.910 174.900 0.123 0.000 1.135 211 G CA 1.117 46.329 45.100 0.186 0.000 0.767 211 G HN 0.384 nan 8.290 nan 0.000 0.550 212 S N 1.012 116.793 115.700 0.136 0.000 2.368 212 S HA 0.049 4.532 4.470 0.021 0.000 0.224 212 S C 2.783 177.450 174.600 0.111 0.000 1.029 212 S CA 1.003 59.260 58.200 0.094 0.000 0.988 212 S CB -0.311 62.937 63.200 0.079 0.000 0.838 212 S HN 0.556 nan 8.310 nan 0.000 0.462 213 A N 1.228 124.119 122.820 0.118 0.000 1.972 213 A HA -0.043 4.290 4.320 0.021 0.000 0.219 213 A C 2.099 179.742 177.584 0.097 0.000 1.169 213 A CA 1.215 53.319 52.037 0.112 0.000 0.635 213 A CB -0.604 18.434 19.000 0.064 0.000 0.810 213 A HN 0.413 nan 8.150 nan 0.000 0.446 214 L N -1.058 120.207 121.223 0.070 0.000 1.988 214 L HA -0.071 4.282 4.340 0.021 0.000 0.207 214 L C 2.237 179.127 176.870 0.033 0.000 1.071 214 L CA 1.812 56.673 54.840 0.035 0.000 0.744 214 L CB -0.516 41.552 42.059 0.015 0.000 0.893 214 L HN 0.303 nan 8.230 nan 0.000 0.433 215 L N -1.394 119.847 121.223 0.030 0.000 2.083 215 L HA -0.204 4.149 4.340 0.021 0.000 0.209 215 L C 2.198 179.176 176.870 0.181 0.000 1.083 215 L CA 1.690 56.542 54.840 0.020 0.000 0.752 215 L CB -0.884 41.157 42.059 -0.030 0.000 0.899 215 L HN 0.310 nan 8.230 nan 0.000 0.433 216 F N -0.339 119.623 119.950 0.021 0.000 2.367 216 F HA 0.071 4.612 4.527 0.023 0.000 0.298 216 F C 2.317 178.139 175.800 0.038 0.000 1.094 216 F CA 0.615 58.644 58.000 0.047 0.000 1.409 216 F CB -0.702 38.321 39.000 0.038 0.000 1.064 216 F HN 0.141 nan 8.300 nan 0.000 0.528 217 A N -0.371 122.509 122.820 0.100 0.000 1.969 217 A HA -0.136 4.197 4.320 0.021 0.000 0.218 217 A C 2.305 179.894 177.584 0.010 0.000 1.169 217 A CA 1.370 53.408 52.037 0.001 0.000 0.635 217 A CB -0.502 18.513 19.000 0.024 0.000 0.810 217 A HN 0.360 nan 8.150 nan 0.000 0.445 218 M N -2.086 117.548 119.600 0.058 0.000 2.074 218 M HA -0.060 4.433 4.480 0.021 0.000 0.258 218 M C 2.353 178.737 176.300 0.140 0.000 1.083 218 M CA 1.694 57.055 55.300 0.103 0.000 1.128 218 M CB -0.671 31.934 32.600 0.008 0.000 1.301 218 M HN 0.614 nan 8.290 nan 0.000 0.417 219 H N 0.496 119.574 119.070 0.014 0.000 2.267 219 H HA -0.173 4.396 4.556 0.021 0.000 0.291 219 H C 1.927 177.199 175.328 -0.093 0.000 1.094 219 H CA 2.286 58.331 56.048 -0.005 0.000 1.227 219 H CB -0.975 28.833 29.762 0.077 0.000 1.351 219 H HN 0.419 nan 8.280 nan 0.000 0.483 220 G N -0.094 108.595 108.800 -0.186 0.000 2.491 220 G HA2 -0.270 3.703 3.960 0.021 0.000 0.218 220 G HA3 -0.270 3.703 3.960 0.021 0.000 0.218 220 G C 2.029 176.823 174.900 -0.177 0.000 1.180 220 G CA 2.012 46.907 45.100 -0.342 0.000 0.774 220 G HN 0.686 nan 8.290 nan 0.000 0.562 221 A N 0.349 123.100 122.820 -0.115 0.000 1.883 221 A HA -0.072 4.261 4.320 0.021 0.000 0.217 221 A C 2.561 180.062 177.584 -0.139 0.000 1.186 221 A CA 2.709 54.681 52.037 -0.110 0.000 0.624 221 A CB -1.147 17.816 19.000 -0.062 0.000 0.822 221 A HN 0.342 nan 8.150 nan 0.000 0.444 222 T N 0.250 114.764 114.554 -0.067 0.000 2.759 222 T HA -0.117 4.246 4.350 0.021 0.000 0.269 222 T C 1.726 176.347 174.700 -0.132 0.000 1.042 222 T CA 1.435 63.456 62.100 -0.131 0.000 1.140 222 T CB -0.274 68.627 68.868 0.054 0.000 0.864 222 T HN 0.278 nan 8.240 nan 0.000 0.455 223 I N 1.923 122.453 120.570 -0.066 0.000 2.141 223 I HA -0.035 4.148 4.170 0.021 0.000 0.236 223 I C 2.248 178.277 176.117 -0.147 0.000 1.071 223 I CA 0.727 61.973 61.300 -0.089 0.000 1.345 223 I CB -1.482 36.469 38.000 -0.081 0.000 1.066 223 I HN 0.186 nan 8.210 nan 0.000 0.406 224 L N 0.824 121.960 121.223 -0.145 0.000 2.263 224 L HA -0.127 4.225 4.340 0.021 0.000 0.216 224 L C 2.553 179.325 176.870 -0.163 0.000 1.111 224 L CA 1.872 56.629 54.840 -0.139 0.000 0.773 224 L CB -2.702 39.283 42.059 -0.123 0.000 0.906 224 L HN 0.193 nan 8.230 nan 0.000 0.439 225 A N 0.488 123.190 122.820 -0.197 0.000 1.897 225 A HA -0.019 4.314 4.320 0.021 0.000 0.215 225 A C 2.290 179.734 177.584 -0.233 0.000 1.181 225 A CA 1.431 53.337 52.037 -0.218 0.000 0.620 225 A CB -0.620 18.210 19.000 -0.282 0.000 0.821 225 A HN 0.261 nan 8.150 nan 0.000 0.443 226 V N 0.742 120.489 119.914 -0.278 0.000 3.380 226 V HA -0.040 4.093 4.120 0.021 0.000 0.268 226 V C 0.849 176.631 176.094 -0.519 0.000 1.168 226 V CA 1.051 63.109 62.300 -0.403 0.000 1.156 226 V CB -0.623 30.997 31.823 -0.338 0.000 0.785 226 V HN 0.389 nan 8.190 nan 0.000 0.487 227 S N 1.298 116.811 115.700 -0.312 0.000 4.139 227 S HA 0.311 4.794 4.470 0.021 0.000 0.215 227 S C 1.068 175.556 174.600 -0.185 0.000 1.390 227 S CA -0.117 57.938 58.200 -0.241 0.000 0.885 227 S CB -0.275 62.845 63.200 -0.133 0.000 1.560 227 S HN 0.582 nan 8.310 nan 0.000 0.449 228 R N 0.517 120.852 120.500 -0.275 0.000 2.568 228 R HA 0.207 4.560 4.340 0.021 0.000 0.254 228 R C -0.543 175.890 176.300 0.222 0.000 0.925 228 R CA 0.177 56.290 56.100 0.022 0.000 1.025 228 R CB 0.601 31.051 30.300 0.250 0.000 1.428 228 R HN 0.605 nan 8.270 nan 0.000 0.573 229 F N -2.432 117.523 119.950 0.008 0.000 2.457 229 F HA 0.539 5.079 4.527 0.022 0.000 0.384 229 F C 0.449 176.257 175.800 0.013 0.000 1.464 229 F CA -0.411 57.595 58.000 0.011 0.000 1.060 229 F CB 0.639 39.644 39.000 0.009 0.000 1.699 229 F HN 0.035 nan 8.300 nan 0.000 0.497 230 G N -0.132 108.645 108.800 -0.039 0.000 2.255 230 G HA2 -0.136 3.837 3.960 0.021 0.000 0.196 230 G HA3 -0.136 3.837 3.960 0.021 0.000 0.196 230 G C 1.229 176.104 174.900 -0.042 0.000 0.998 230 G CA -0.082 45.019 45.100 0.002 0.000 0.656 230 G HN 0.976 nan 8.290 nan 0.000 0.490 231 G N 1.618 110.333 108.800 -0.142 0.000 2.476 231 G HA2 -0.149 3.824 3.960 0.021 0.000 0.218 231 G HA3 -0.149 3.824 3.960 0.021 0.000 0.218 231 G C 1.452 176.338 174.900 -0.022 0.000 1.164 231 G CA 1.939 46.983 45.100 -0.094 0.000 0.768 231 G HN 0.912 nan 8.290 nan 0.000 0.560 232 E N 0.778 120.950 120.200 -0.047 0.000 2.208 232 E HA -0.212 4.151 4.350 0.021 0.000 0.202 232 E C 0.775 177.386 176.600 0.019 0.000 1.014 232 E CA 0.797 57.187 56.400 -0.017 0.000 0.819 232 E CB -0.379 29.305 29.700 -0.027 0.000 0.735 232 E HN 0.477 nan 8.360 nan 0.000 0.469 233 R N 1.523 122.038 120.500 0.024 0.000 2.287 233 R HA 0.283 4.636 4.340 0.021 0.000 0.327 233 R C -0.002 176.333 176.300 0.058 0.000 1.109 233 R CA -0.133 55.989 56.100 0.037 0.000 1.013 233 R CB 0.955 31.273 30.300 0.030 0.000 1.126 233 R HN 0.182 nan 8.270 nan 0.000 0.503 234 E N 1.345 121.593 120.200 0.081 0.000 2.024 234 E HA -0.108 4.255 4.350 0.021 0.000 0.190 234 E C 1.332 177.982 176.600 0.083 0.000 0.974 234 E CA 0.726 57.202 56.400 0.126 0.000 0.810 234 E CB 0.058 29.883 29.700 0.208 0.000 0.775 234 E HN 0.300 nan 8.360 nan 0.000 0.453 235 L N 1.438 122.685 121.223 0.041 0.000 1.997 235 L HA -0.263 4.090 4.340 0.021 0.000 0.216 235 L C 2.435 179.327 176.870 0.036 0.000 1.074 235 L CA 1.855 56.711 54.840 0.027 0.000 0.763 235 L CB -0.775 41.287 42.059 0.004 0.000 0.890 235 L HN 0.121 nan 8.230 nan 0.000 0.434 236 E N -0.329 119.891 120.200 0.035 0.000 2.130 236 E HA -0.262 4.101 4.350 0.021 0.000 0.196 236 E C 2.171 178.798 176.600 0.045 0.000 0.998 236 E CA 1.518 57.940 56.400 0.036 0.000 0.806 236 E CB -0.145 29.575 29.700 0.035 0.000 0.738 236 E HN 0.554 nan 8.360 nan 0.000 0.459 237 Q N -0.546 119.288 119.800 0.056 0.000 2.297 237 Q HA -0.015 4.338 4.340 0.021 0.000 0.204 237 Q C 1.872 177.912 176.000 0.066 0.000 0.962 237 Q CA 1.011 56.853 55.803 0.065 0.000 0.879 237 Q CB 0.026 28.808 28.738 0.074 0.000 0.947 237 Q HN 0.468 nan 8.270 nan 0.000 0.462 238 I N -0.322 120.288 120.570 0.066 0.000 3.444 238 I HA -0.067 4.116 4.170 0.021 0.000 0.287 238 I C 1.624 177.772 176.117 0.051 0.000 1.302 238 I CA 0.350 61.689 61.300 0.065 0.000 1.368 238 I CB -0.036 38.003 38.000 0.065 0.000 1.048 238 I HN 0.067 nan 8.210 nan 0.000 0.487 239 A N -0.607 122.241 122.820 0.045 0.000 2.141 239 A HA 0.188 4.521 4.320 0.021 0.000 0.201 239 A C 0.108 177.715 177.584 0.038 0.000 1.344 239 A CA 0.184 52.243 52.037 0.038 0.000 0.971 239 A CB 0.570 19.588 19.000 0.030 0.000 1.035 239 A HN 0.229 nan 8.150 nan 0.000 0.480 240 D N 0.231 120.657 120.400 0.043 0.000 2.351 240 D HA 0.253 4.906 4.640 0.021 0.000 0.235 240 D C -0.931 175.401 176.300 0.052 0.000 1.331 240 D CA -0.252 53.775 54.000 0.043 0.000 0.959 240 D CB 0.636 41.459 40.800 0.038 0.000 1.432 240 D HN 0.422 nan 8.370 nan 0.000 0.544 241 R N 1.121 121.655 120.500 0.056 0.000 2.196 241 R HA 0.741 5.094 4.340 0.021 0.000 0.340 241 R C 0.771 177.113 176.300 0.070 0.000 1.043 241 R CA -0.822 55.317 56.100 0.065 0.000 0.883 241 R CB 1.327 31.666 30.300 0.066 0.000 1.078 241 R HN 0.185 nan 8.270 nan 0.000 0.462 242 G N 0.765 109.617 108.800 0.087 0.000 2.531 242 G HA2 0.078 4.050 3.960 0.021 0.000 0.253 242 G HA3 0.078 4.050 3.960 0.021 0.000 0.253 242 G C 0.705 175.682 174.900 0.128 0.000 1.439 242 G CA -0.256 44.904 45.100 0.101 0.000 1.056 242 G HN 0.635 nan 8.290 nan 0.000 0.555 243 T N -1.855 112.804 114.554 0.176 0.000 3.088 243 T HA 0.230 4.593 4.350 0.021 0.000 0.259 243 T C 2.357 177.294 174.700 0.394 0.000 1.122 243 T CA 1.194 63.429 62.100 0.225 0.000 1.095 243 T CB -0.020 68.915 68.868 0.110 0.000 0.930 243 T HN 0.577 nan 8.240 nan 0.000 0.508 244 A N 2.193 125.245 122.820 0.388 0.000 1.865 244 A HA 0.191 4.524 4.320 0.021 0.000 0.217 244 A C 2.756 180.367 177.584 0.045 0.000 1.191 244 A CA 1.934 54.006 52.037 0.058 0.000 0.623 244 A CB -1.481 17.477 19.000 -0.070 0.000 0.826 244 A HN 0.653 nan 8.150 nan 0.000 0.444 245 A N -0.617 122.248 122.820 0.074 0.000 1.828 245 A HA -0.154 4.179 4.320 0.021 0.000 0.215 245 A C 1.909 179.524 177.584 0.052 0.000 1.203 245 A CA 2.070 54.142 52.037 0.059 0.000 0.614 245 A CB -0.838 18.205 19.000 0.071 0.000 0.844 245 A HN 0.488 nan 8.150 nan 0.000 0.445 246 E N -0.617 119.622 120.200 0.064 0.000 2.065 246 E HA -0.232 4.131 4.350 0.021 0.000 0.201 246 E C 2.267 178.868 176.600 0.002 0.000 1.016 246 E CA 1.926 58.352 56.400 0.042 0.000 0.818 246 E CB -0.181 29.550 29.700 0.053 0.000 0.749 246 E HN 0.531 nan 8.360 nan 0.000 0.453 247 R N -0.743 119.775 120.500 0.030 0.000 2.092 247 R HA -0.013 4.340 4.340 0.021 0.000 0.231 247 R C 2.184 178.428 176.300 -0.092 0.000 1.119 247 R CA 1.163 57.249 56.100 -0.023 0.000 0.970 247 R CB -0.234 30.126 30.300 0.100 0.000 0.864 247 R HN 0.197 nan 8.270 nan 0.000 0.440 248 A N 0.391 123.173 122.820 -0.063 0.000 2.015 248 A HA -0.063 4.270 4.320 0.021 0.000 0.219 248 A C 2.184 179.730 177.584 -0.064 0.000 1.163 248 A CA 1.548 53.522 52.037 -0.105 0.000 0.646 248 A CB -0.472 18.489 19.000 -0.065 0.000 0.806 248 A HN 0.428 nan 8.150 nan 0.000 0.448 249 A N -0.212 122.593 122.820 -0.026 0.000 1.854 249 A HA 0.094 4.427 4.320 0.021 0.000 0.214 249 A C 1.920 179.466 177.584 -0.062 0.000 1.192 249 A CA 1.486 53.535 52.037 0.020 0.000 0.611 249 A CB -0.572 18.448 19.000 0.033 0.000 0.832 249 A HN 0.352 nan 8.150 nan 0.000 0.442 250 L N -1.248 119.843 121.223 -0.219 0.000 1.990 250 L HA -0.194 4.159 4.340 0.021 0.000 0.213 250 L C 2.296 178.755 176.870 -0.686 0.000 1.072 250 L CA 2.024 56.531 54.840 -0.554 0.000 0.755 250 L CB -1.879 39.657 42.059 -0.872 0.000 0.889 250 L HN 0.499 nan 8.230 nan 0.000 0.432 251 F N -0.881 118.654 119.950 -0.692 0.000 2.079 251 F HA -0.358 4.181 4.527 0.021 0.000 0.296 251 F C 2.206 177.728 175.800 -0.463 0.000 1.084 251 F CA 2.079 59.688 58.000 -0.650 0.000 1.236 251 F CB -0.479 38.048 39.000 -0.790 0.000 0.984 251 F HN 0.085 nan 8.300 nan 0.000 0.488 252 W N -0.848 120.454 121.300 0.003 0.000 2.443 252 W HA -0.032 4.641 4.660 0.022 0.000 0.296 252 W C 2.540 179.032 176.519 -0.044 0.000 1.202 252 W CA 0.292 57.615 57.345 -0.037 0.000 1.312 252 W CB -0.516 28.921 29.460 -0.038 0.000 1.120 252 W HN -0.233 nan 8.180 nan 0.000 0.536 253 R N 0.149 120.768 120.500 0.199 0.000 2.170 253 R HA -0.192 4.161 4.340 0.021 0.000 0.242 253 R C 1.392 177.926 176.300 0.391 0.000 1.145 253 R CA 1.665 57.915 56.100 0.250 0.000 0.984 253 R CB -0.832 29.598 30.300 0.217 0.000 0.869 253 R HN 0.173 nan 8.270 nan 0.000 0.455 254 W N -0.414 120.875 121.300 -0.018 0.000 2.651 254 W HA 0.131 4.804 4.660 0.022 0.000 0.311 254 W C 2.368 178.832 176.519 -0.091 0.000 1.114 254 W CA 1.308 58.605 57.345 -0.080 0.000 1.490 254 W CB -1.577 27.790 29.460 -0.155 0.000 1.182 254 W HN 0.164 nan 8.180 nan 0.000 0.495 255 T N 1.216 115.776 114.554 0.010 0.000 2.564 255 T HA -0.344 4.019 4.350 0.021 0.000 0.264 255 T C 1.574 176.350 174.700 0.126 0.000 1.100 255 T CA 2.803 64.901 62.100 -0.003 0.000 1.171 255 T CB -0.968 67.868 68.868 -0.054 0.000 0.863 255 T HN 0.281 nan 8.240 nan 0.000 0.430 256 M N -0.714 119.009 119.600 0.205 0.000 2.337 256 M HA 0.598 5.091 4.480 0.021 0.000 0.256 256 M C 1.678 178.104 176.300 0.210 0.000 1.075 256 M CA 0.575 55.985 55.300 0.183 0.000 1.024 256 M CB 0.670 33.361 32.600 0.152 0.000 1.429 256 M HN 0.508 nan 8.290 nan 0.000 0.497 257 G N 2.397 111.336 108.800 0.232 0.000 2.131 257 G HA2 -0.247 3.725 3.960 0.021 0.000 0.223 257 G HA3 -0.247 3.725 3.960 0.021 0.000 0.223 257 G C -0.310 174.806 174.900 0.360 0.000 0.990 257 G CA 0.214 45.467 45.100 0.254 0.000 0.671 257 G HN 0.853 nan 8.290 nan 0.000 0.521 258 F N 0.065 120.109 119.950 0.157 0.000 2.714 258 F HA 0.567 5.106 4.527 0.021 0.000 0.313 258 F C -1.246 174.647 175.800 0.156 0.000 1.104 258 F CA -0.607 57.478 58.000 0.143 0.000 1.005 258 F CB 0.466 39.534 39.000 0.114 0.000 1.268 258 F HN 0.403 nan 8.300 nan 0.000 0.449 259 N N 3.257 121.884 118.700 -0.122 0.000 2.972 259 N HA 0.823 5.576 4.740 0.021 0.000 0.262 259 N C -1.471 174.030 175.510 -0.015 0.000 1.478 259 N CA -0.493 52.434 53.050 -0.205 0.000 0.841 259 N CB 1.917 40.455 38.487 0.085 0.000 1.512 259 N HN 0.971 nan 8.380 nan 0.000 0.548 260 A N -0.440 122.387 122.820 0.012 0.000 3.444 260 A HA 0.825 5.158 4.320 0.021 0.000 0.189 260 A C 0.541 178.184 177.584 0.098 0.000 1.542 260 A CA 0.733 52.835 52.037 0.108 0.000 0.867 260 A CB 0.125 19.210 19.000 0.142 0.000 1.712 260 A HN 0.956 nan 8.150 nan 0.000 0.556 261 T N -4.242 110.366 114.554 0.090 0.000 3.050 261 T HA 0.330 4.692 4.350 0.021 0.000 0.113 261 T C 1.028 175.771 174.700 0.072 0.000 0.760 261 T CA 0.651 62.800 62.100 0.081 0.000 0.663 261 T CB -0.115 68.806 68.868 0.088 0.000 1.815 261 T HN 0.279 nan 8.240 nan 0.000 0.289 262 M N 1.602 121.261 119.600 0.099 0.000 3.207 262 M HA 0.405 4.898 4.480 0.021 0.000 0.202 262 M C 2.161 178.585 176.300 0.206 0.000 1.730 262 M CA 1.111 56.496 55.300 0.143 0.000 1.461 262 M CB -0.393 32.288 32.600 0.135 0.000 1.013 262 M HN 0.676 nan 8.290 nan 0.000 0.592 263 E N -0.458 119.840 120.200 0.164 0.000 2.097 263 E HA -0.147 4.216 4.350 0.021 0.000 0.196 263 E C 1.802 178.503 176.600 0.169 0.000 1.000 263 E CA 1.735 58.233 56.400 0.163 0.000 0.804 263 E CB -1.029 28.734 29.700 0.105 0.000 0.740 263 E HN 0.558 nan 8.360 nan 0.000 0.454 264 G N 1.476 110.355 108.800 0.132 0.000 2.446 264 G HA2 -0.263 3.709 3.960 0.021 0.000 0.217 264 G HA3 -0.263 3.709 3.960 0.021 0.000 0.217 264 G C 1.566 176.566 174.900 0.167 0.000 1.168 264 G CA 0.882 46.056 45.100 0.123 0.000 0.771 264 G HN 0.244 nan 8.290 nan 0.000 0.551 265 I N 1.269 121.901 120.570 0.102 0.000 2.208 265 I HA -0.145 4.038 4.170 0.021 0.000 0.245 265 I C 2.280 178.365 176.117 -0.053 0.000 1.097 265 I CA 1.283 62.556 61.300 -0.046 0.000 1.363 265 I CB -0.880 36.915 38.000 -0.342 0.000 1.051 265 I HN 0.304 nan 8.210 nan 0.000 0.413 266 H N -1.545 117.562 119.070 0.062 0.000 2.544 266 H HA 0.121 4.690 4.556 0.022 0.000 0.269 266 H C 2.165 177.543 175.328 0.083 0.000 0.970 266 H CA 0.407 56.505 56.048 0.082 0.000 1.219 266 H CB -0.024 29.788 29.762 0.083 0.000 1.421 266 H HN 0.097 nan 8.280 nan 0.000 0.555 267 R N -0.445 120.177 120.500 0.204 0.000 2.148 267 R HA -0.074 4.279 4.340 0.021 0.000 0.223 267 R C 1.325 177.784 176.300 0.265 0.000 1.088 267 R CA 0.959 57.155 56.100 0.159 0.000 0.985 267 R CB -0.218 30.151 30.300 0.114 0.000 0.880 267 R HN 0.443 nan 8.270 nan 0.000 0.451 268 W N -0.441 120.931 121.300 0.119 0.000 2.463 268 W HA -0.035 4.637 4.660 0.021 0.000 0.316 268 W C 2.267 178.848 176.519 0.102 0.000 1.170 268 W CA 1.018 58.428 57.345 0.109 0.000 1.355 268 W CB -0.374 29.099 29.460 0.022 0.000 1.159 268 W HN 0.153 nan 8.180 nan 0.000 0.487 269 A N 0.574 123.596 122.820 0.337 0.000 1.915 269 A HA -0.338 3.995 4.320 0.021 0.000 0.220 269 A C 1.902 179.543 177.584 0.096 0.000 1.198 269 A CA 2.212 54.345 52.037 0.160 0.000 0.647 269 A CB -1.367 17.692 19.000 0.098 0.000 0.825 269 A HN 0.514 nan 8.150 nan 0.000 0.456 270 I N -2.109 118.494 120.570 0.054 0.000 2.127 270 I HA -0.300 3.883 4.170 0.021 0.000 0.241 270 I C 2.389 178.445 176.117 -0.102 0.000 1.075 270 I CA 2.039 63.282 61.300 -0.094 0.000 1.334 270 I CB -0.252 37.602 38.000 -0.244 0.000 1.040 270 I HN 0.627 nan 8.210 nan 0.000 0.405 271 W N 0.718 122.007 121.300 -0.017 0.000 2.333 271 W HA -0.324 4.351 4.660 0.024 0.000 0.316 271 W C 2.657 179.111 176.519 -0.109 0.000 1.215 271 W CA 1.727 59.042 57.345 -0.049 0.000 1.278 271 W CB -0.418 29.026 29.460 -0.028 0.000 1.154 271 W HN 0.293 nan 8.180 nan 0.000 0.486 272 M N 0.587 120.304 119.600 0.195 0.000 2.296 272 M HA 0.013 4.506 4.480 0.021 0.000 0.265 272 M C 1.789 178.060 176.300 -0.049 0.000 1.064 272 M CA 2.370 57.666 55.300 -0.007 0.000 1.109 272 M CB -0.576 32.072 32.600 0.081 0.000 1.396 272 M HN -0.076 nan 8.290 nan 0.000 0.430 273 A N -0.770 122.043 122.820 -0.011 0.000 1.984 273 A HA 0.092 4.425 4.320 0.021 0.000 0.214 273 A C 2.166 179.732 177.584 -0.029 0.000 1.173 273 A CA 1.115 53.136 52.037 -0.027 0.000 0.673 273 A CB -1.084 17.879 19.000 -0.062 0.000 0.830 273 A HN 0.447 nan 8.150 nan 0.000 0.453 274 V N 0.061 119.945 119.914 -0.051 0.000 2.346 274 V HA -0.133 3.999 4.120 0.021 0.000 0.244 274 V C 2.235 178.328 176.094 -0.002 0.000 1.037 274 V CA 1.866 64.135 62.300 -0.051 0.000 1.029 274 V CB -0.518 31.215 31.823 -0.150 0.000 0.663 274 V HN 0.522 nan 8.190 nan 0.000 0.454 275 L N 0.074 121.290 121.223 -0.012 0.000 2.151 275 L HA -0.229 4.124 4.340 0.021 0.000 0.215 275 L C 2.517 179.442 176.870 0.093 0.000 1.084 275 L CA 1.847 56.679 54.840 -0.013 0.000 0.764 275 L CB -0.790 41.062 42.059 -0.344 0.000 0.891 275 L HN 0.319 nan 8.230 nan 0.000 0.435 276 V N -0.660 119.304 119.914 0.083 0.000 2.278 276 V HA -0.393 3.740 4.120 0.021 0.000 0.251 276 V C 2.407 178.593 176.094 0.153 0.000 1.062 276 V CA 2.608 65.006 62.300 0.162 0.000 1.038 276 V CB -0.966 30.927 31.823 0.117 0.000 0.646 276 V HN 0.519 nan 8.190 nan 0.000 0.447 277 T N -0.008 114.621 114.554 0.124 0.000 2.781 277 T HA 0.011 4.374 4.350 0.021 0.000 0.252 277 T C 1.899 176.726 174.700 0.212 0.000 1.039 277 T CA 1.083 63.266 62.100 0.139 0.000 1.147 277 T CB -0.294 68.642 68.868 0.114 0.000 0.865 277 T HN 0.229 nan 8.240 nan 0.000 0.423 278 L N 1.476 122.823 121.223 0.207 0.000 1.957 278 L HA -0.251 4.102 4.340 0.021 0.000 0.228 278 L C 2.319 179.317 176.870 0.215 0.000 1.086 278 L CA 2.361 57.327 54.840 0.210 0.000 0.796 278 L CB -1.580 40.520 42.059 0.070 0.000 0.900 278 L HN 0.304 nan 8.230 nan 0.000 0.439 279 T N 0.150 114.800 114.554 0.159 0.000 2.635 279 T HA -0.180 4.183 4.350 0.021 0.000 0.267 279 T C 1.706 176.434 174.700 0.047 0.000 1.040 279 T CA 1.619 63.779 62.100 0.099 0.000 1.156 279 T CB -0.968 68.071 68.868 0.285 0.000 0.863 279 T HN 0.682 nan 8.240 nan 0.000 0.430 280 G N 0.639 109.517 108.800 0.129 0.000 2.475 280 G HA2 -0.099 3.874 3.960 0.021 0.000 0.220 280 G HA3 -0.099 3.874 3.960 0.021 0.000 0.220 280 G C 1.630 176.568 174.900 0.064 0.000 1.125 280 G CA 1.101 46.262 45.100 0.102 0.000 0.755 280 G HN 0.599 nan 8.290 nan 0.000 0.565 281 G N 0.579 109.442 108.800 0.105 0.000 2.408 281 G HA2 -0.077 3.896 3.960 0.021 0.000 0.215 281 G HA3 -0.077 3.896 3.960 0.021 0.000 0.215 281 G C 1.709 176.642 174.900 0.055 0.000 1.156 281 G CA 0.560 45.669 45.100 0.014 0.000 0.793 281 G HN 0.427 nan 8.290 nan 0.000 0.535 282 I N 1.093 121.734 120.570 0.119 0.000 2.208 282 I HA -0.109 4.074 4.170 0.021 0.000 0.245 282 I C 2.751 178.806 176.117 -0.104 0.000 1.097 282 I CA 1.565 62.843 61.300 -0.036 0.000 1.363 282 I CB -0.177 37.606 38.000 -0.361 0.000 1.051 282 I HN 0.205 nan 8.210 nan 0.000 0.413 283 G N 0.411 109.134 108.800 -0.130 0.000 2.422 283 G HA2 -0.261 3.712 3.960 0.021 0.000 0.218 283 G HA3 -0.261 3.712 3.960 0.021 0.000 0.218 283 G C 1.505 176.578 174.900 0.287 0.000 1.140 283 G CA 0.568 45.879 45.100 0.352 0.000 0.775 283 G HN 0.413 nan 8.290 nan 0.000 0.545 284 I N 0.030 120.685 120.570 0.141 0.000 3.001 284 I HA 0.132 4.314 4.170 0.021 0.000 0.268 284 I C 2.016 178.226 176.117 0.154 0.000 1.267 284 I CA 0.279 61.657 61.300 0.130 0.000 1.472 284 I CB 0.205 38.188 38.000 -0.028 0.000 1.089 284 I HN 0.115 nan 8.210 nan 0.000 0.468 285 L N -0.817 120.478 121.223 0.120 0.000 2.477 285 L HA 0.138 4.491 4.340 0.021 0.000 0.220 285 L C 1.738 178.704 176.870 0.160 0.000 1.106 285 L CA 1.296 56.197 54.840 0.101 0.000 0.851 285 L CB -0.107 41.998 42.059 0.076 0.000 0.994 285 L HN 0.139 nan 8.230 nan 0.000 0.462 286 L N -1.797 119.575 121.223 0.248 0.000 2.298 286 L HA 0.144 4.497 4.340 0.021 0.000 0.209 286 L C 1.039 178.026 176.870 0.196 0.000 1.084 286 L CA -0.028 54.944 54.840 0.220 0.000 0.816 286 L CB -0.383 41.850 42.059 0.290 0.000 0.967 286 L HN 0.016 nan 8.230 nan 0.000 0.460 287 S N 0.108 116.072 115.700 0.439 0.000 2.563 287 S HA 0.318 4.801 4.470 0.021 0.000 0.284 287 S C 1.010 175.758 174.600 0.248 0.000 1.331 287 S CA 0.559 59.041 58.200 0.471 0.000 1.047 287 S CB 0.925 64.625 63.200 0.834 0.000 0.859 287 S HN 0.595 nan 8.310 nan 0.000 0.514 288 G N 2.266 111.088 108.800 0.036 0.000 2.720 288 G HA2 -0.430 3.543 3.960 0.021 0.000 0.293 288 G HA3 -0.430 3.543 3.960 0.021 0.000 0.293 288 G C 1.104 175.934 174.900 -0.116 0.000 1.256 288 G CA 1.215 46.268 45.100 -0.079 0.000 0.974 288 G HN 1.081 nan 8.290 nan 0.000 0.551 289 T N -0.532 113.997 114.554 -0.041 0.000 2.412 289 T HA -0.345 4.018 4.350 0.021 0.000 0.228 289 T C 2.140 176.783 174.700 -0.096 0.000 1.426 289 T CA 4.322 66.387 62.100 -0.058 0.000 1.096 289 T CB -0.657 68.200 68.868 -0.019 0.000 0.834 289 T HN 1.631 nan 8.240 nan 0.000 0.439 290 V N 0.700 120.549 119.914 -0.107 0.000 3.444 290 V HA 0.609 4.742 4.120 0.021 0.000 0.308 290 V C -0.099 175.837 176.094 -0.263 0.000 1.371 290 V CA 0.536 62.751 62.300 -0.142 0.000 1.141 290 V CB 0.659 32.426 31.823 -0.092 0.000 1.037 290 V HN 0.549 nan 8.190 nan 0.000 0.433 291 V N 0.791 120.493 119.914 -0.353 0.000 2.822 291 V HA 0.337 4.470 4.120 0.021 0.000 0.275 291 V C -1.353 174.371 176.094 -0.617 0.000 1.267 291 V CA -0.721 61.241 62.300 -0.563 0.000 0.933 291 V CB 1.712 32.937 31.823 -0.997 0.000 1.082 291 V HN 0.574 nan 8.190 nan 0.000 0.465 292 D N 4.060 124.189 120.400 -0.451 0.000 2.423 292 D HA 0.338 4.991 4.640 0.021 0.000 0.255 292 D C 0.588 176.682 176.300 -0.344 0.000 1.174 292 D CA -0.427 53.321 54.000 -0.421 0.000 1.008 292 D CB 0.282 40.903 40.800 -0.299 0.000 1.101 292 D HN 0.764 nan 8.370 nan 0.000 0.516 293 N N -0.383 118.186 118.700 -0.217 0.000 2.770 293 N HA -0.252 4.501 4.740 0.021 0.000 0.283 293 N C -0.143 175.404 175.510 0.063 0.000 1.009 293 N CA 0.215 53.248 53.050 -0.029 0.000 0.828 293 N CB -0.404 38.079 38.487 -0.007 0.000 0.939 293 N HN 0.534 nan 8.380 nan 0.000 0.580 294 W N 0.683 122.049 121.300 0.109 0.000 2.278 294 W HA -0.437 4.236 4.660 0.021 0.000 0.339 294 W C 2.199 178.868 176.519 0.249 0.000 1.348 294 W CA 2.024 59.482 57.345 0.188 0.000 1.289 294 W CB -1.055 28.541 29.460 0.228 0.000 1.124 294 W HN 0.655 nan 8.180 nan 0.000 0.469 295 Y N 0.819 121.328 120.300 0.349 0.000 2.100 295 Y HA -0.443 4.119 4.550 0.021 0.000 0.267 295 Y C 2.129 178.053 175.900 0.040 0.000 1.250 295 Y CA 2.442 60.567 58.100 0.041 0.000 1.105 295 Y CB -1.423 36.966 38.460 -0.118 0.000 0.924 295 Y HN -0.106 nan 8.280 nan 0.000 0.508 296 V N -0.460 119.336 119.914 -0.197 0.000 2.231 296 V HA -0.371 3.762 4.120 0.021 0.000 0.248 296 V C 2.150 178.185 176.094 -0.098 0.000 1.054 296 V CA 2.290 64.413 62.300 -0.294 0.000 1.015 296 V CB -1.314 30.411 31.823 -0.162 0.000 0.638 296 V HN 0.746 nan 8.190 nan 0.000 0.444 297 W N 1.168 122.424 121.300 -0.074 0.000 2.302 297 W HA -0.226 4.448 4.660 0.023 0.000 0.320 297 W C 2.388 179.014 176.519 0.179 0.000 1.241 297 W CA 2.495 59.866 57.345 0.043 0.000 1.264 297 W CB -1.024 28.446 29.460 0.017 0.000 1.154 297 W HN 0.267 nan 8.180 nan 0.000 0.483 298 G N -0.685 108.251 108.800 0.228 0.000 2.440 298 G HA2 -0.378 3.595 3.960 0.021 0.000 0.218 298 G HA3 -0.378 3.595 3.960 0.021 0.000 0.218 298 G C 1.316 176.171 174.900 -0.076 0.000 1.154 298 G CA 1.296 46.442 45.100 0.077 0.000 0.767 298 G HN 0.363 nan 8.290 nan 0.000 0.552 299 Q N 0.653 120.347 119.800 -0.177 0.000 2.226 299 Q HA -0.011 4.342 4.340 0.021 0.000 0.204 299 Q C 2.147 178.003 176.000 -0.240 0.000 0.975 299 Q CA 1.733 57.384 55.803 -0.255 0.000 0.866 299 Q CB -0.580 27.856 28.738 -0.504 0.000 0.915 299 Q HN 0.681 nan 8.270 nan 0.000 0.440 300 N N -1.966 116.560 118.700 -0.290 0.000 2.354 300 N HA -0.082 4.671 4.740 0.021 0.000 0.179 300 N C 1.033 176.223 175.510 -0.534 0.000 1.021 300 N CA 0.677 53.492 53.050 -0.392 0.000 0.887 300 N CB 0.057 38.271 38.487 -0.455 0.000 0.974 300 N HN 0.375 nan 8.380 nan 0.000 0.437 301 H N -1.902 116.947 119.070 -0.368 0.000 2.451 301 H HA 0.252 4.821 4.556 0.022 0.000 0.294 301 H C 1.589 176.797 175.328 -0.201 0.000 1.028 301 H CA 1.240 57.087 56.048 -0.334 0.000 1.349 301 H CB 0.640 30.088 29.762 -0.523 0.000 1.444 301 H HN 0.265 nan 8.280 nan 0.000 0.538 302 G N -1.021 107.745 108.800 -0.056 0.000 3.617 302 G HA2 -0.154 3.819 3.960 0.021 0.000 0.217 302 G HA3 -0.154 3.819 3.960 0.021 0.000 0.217 302 G C 0.009 174.920 174.900 0.018 0.000 0.967 302 G CA -0.228 44.858 45.100 -0.025 0.000 0.878 302 G HN -0.027 nan 8.290 nan 0.000 0.439 303 M N 2.686 122.315 119.600 0.048 0.000 3.414 303 M HA 0.283 4.775 4.480 0.021 0.000 0.311 303 M C 0.926 177.311 176.300 0.142 0.000 1.839 303 M CA 0.181 55.558 55.300 0.128 0.000 1.637 303 M CB -1.928 30.797 32.600 0.209 0.000 1.698 303 M HN 0.543 nan 8.290 nan 0.000 0.489 304 A N 4.361 127.253 122.820 0.119 0.000 2.252 304 A HA 0.814 5.147 4.320 0.021 0.000 0.305 304 A C -1.324 176.349 177.584 0.148 0.000 1.097 304 A CA -1.080 51.023 52.037 0.111 0.000 0.849 304 A CB -0.186 18.852 19.000 0.064 0.000 1.142 304 A HN 0.558 nan 8.150 nan 0.000 0.499 305 P HA 0.000 nan 4.420 nan 0.000 0.216 305 P CA 0.000 63.167 63.100 0.111 0.000 0.800 305 P CB 0.000 31.744 31.700 0.074 0.000 0.726