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 1umx_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 GRTYLRAQAL GMGKHTAWAF DATA SEQUENCE LSAIWLWMVL GFIRPILMGS WSEAVPYGIF SHLDWTNNFS LVHGNLFYNP DATA SEQUENCE FHGLSIAFLY GSALLFAMHG ATILAVSRFG GERELEQIAD RGTAAERAAL DATA SEQUENCE FWRWTMGFNA TMEGIHLWAI WMAVLVTLTG GIGILLSGTV VDNWYVWGQN DATA SEQUENCE HGM 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 0.000 177.608 177.584 0.041 0.000 1.274 1 A CA 0.000 52.053 52.037 0.026 0.000 0.836 1 A CB 0.000 19.009 19.000 0.015 0.000 0.831 2 E N 0.404 120.624 120.200 0.034 0.000 2.392 2 E HA 0.393 4.743 4.350 -0.000 0.000 0.259 2 E C -0.433 176.222 176.600 0.091 0.000 1.108 2 E CA -0.385 56.045 56.400 0.051 0.000 0.916 2 E CB 0.547 30.259 29.700 0.019 0.000 0.989 2 E HN 0.616 nan 8.360 nan 0.000 0.432 3 Y N 1.073 121.361 120.300 -0.019 0.000 2.357 3 Y HA -0.024 4.526 4.550 -0.000 0.000 0.340 3 Y C 0.729 176.611 175.900 -0.029 0.000 1.260 3 Y CA 0.160 58.252 58.100 -0.014 0.000 1.425 3 Y CB 1.009 39.462 38.460 -0.011 0.000 1.326 3 Y HN 0.507 nan 8.280 nan 0.000 0.580 4 Q N 2.073 121.473 119.800 -0.667 0.000 2.245 4 Q HA 0.065 4.405 4.340 -0.000 0.000 0.236 4 Q C -0.003 175.577 176.000 -0.701 0.000 0.842 4 Q CA 0.470 55.962 55.803 -0.519 0.000 0.945 4 Q CB 0.228 28.779 28.738 -0.312 0.000 1.122 4 Q HN 0.884 nan 8.270 nan 0.000 0.506 5 N N 0.006 117.895 118.700 -1.352 0.000 2.862 5 N HA -0.135 4.605 4.740 -0.000 0.000 0.248 5 N C 0.254 175.520 175.510 -0.407 0.000 1.116 5 N CA 0.317 52.906 53.050 -0.769 0.000 0.727 5 N CB -0.973 37.299 38.487 -0.358 0.000 1.083 5 N HN 0.161 nan 8.380 nan 0.000 0.555 6 I N -1.196 119.122 120.570 -0.420 0.000 2.731 6 I HA 0.121 4.291 4.170 -0.000 0.000 0.260 6 I C 0.534 176.299 176.117 -0.587 0.000 1.138 6 I CA 1.102 62.104 61.300 -0.497 0.000 1.461 6 I CB -0.437 37.239 38.000 -0.540 0.000 1.128 6 I HN 0.032 nan 8.210 nan 0.000 0.438 7 F N 0.242 120.261 119.950 0.115 0.000 2.532 7 F HA 0.397 4.924 4.527 0.000 0.000 0.321 7 F C 0.929 176.938 175.800 0.349 0.000 1.089 7 F CA -0.930 57.222 58.000 0.254 0.000 0.926 7 F CB 1.014 40.145 39.000 0.218 0.000 1.168 7 F HN -0.331 nan 8.300 nan 0.000 0.459 8 S N 1.043 117.079 115.700 0.560 0.000 2.560 8 S HA 0.019 4.489 4.470 -0.000 0.000 0.284 8 S C 0.883 175.767 174.600 0.473 0.000 1.327 8 S CA -0.542 57.928 58.200 0.450 0.000 1.055 8 S CB 0.633 64.027 63.200 0.324 0.000 0.868 8 S HN 0.774 nan 8.310 nan 0.000 0.506 9 Q N 0.439 120.377 119.800 0.230 0.000 2.282 9 Q HA 0.323 4.663 4.340 -0.000 0.000 0.206 9 Q C -0.532 175.590 176.000 0.203 0.000 0.878 9 Q CA 0.118 56.017 55.803 0.159 0.000 0.944 9 Q CB 0.231 28.899 28.738 -0.116 0.000 1.100 9 Q HN 0.369 nan 8.270 nan 0.000 0.509 10 V N 1.666 121.704 119.914 0.208 0.000 2.789 10 V HA 0.201 4.321 4.120 -0.000 0.000 0.300 10 V C -0.915 175.210 176.094 0.051 0.000 1.184 10 V CA -0.794 61.585 62.300 0.131 0.000 0.930 10 V CB 2.072 33.917 31.823 0.037 0.000 1.041 10 V HN 0.254 nan 8.190 nan 0.000 0.430 11 Q N 1.907 121.672 119.800 -0.058 0.000 2.169 11 Q HA 0.847 5.187 4.340 -0.000 0.000 0.234 11 Q C -1.249 174.695 176.000 -0.094 0.000 0.980 11 Q CA -0.803 54.913 55.803 -0.145 0.000 0.941 11 Q CB 2.699 31.231 28.738 -0.343 0.000 1.199 11 Q HN 0.463 nan 8.270 nan 0.000 0.496 12 V N 0.838 120.698 119.914 -0.090 0.000 2.737 12 V HA 0.332 4.452 4.120 -0.000 0.000 0.298 12 V C -1.254 174.791 176.094 -0.081 0.000 1.163 12 V CA -0.482 61.775 62.300 -0.072 0.000 0.925 12 V CB 2.084 33.881 31.823 -0.044 0.000 1.037 12 V HN 0.634 nan 8.190 nan 0.000 0.433 13 R N 2.866 123.294 120.500 -0.120 0.000 2.778 13 R HA 0.884 5.224 4.340 -0.000 0.000 0.277 13 R C -0.094 176.117 176.300 -0.149 0.000 0.977 13 R CA 0.092 56.089 56.100 -0.173 0.000 0.950 13 R CB 2.257 32.359 30.300 -0.331 0.000 1.165 13 R HN 0.872 nan 8.270 nan 0.000 0.474 14 G N 1.929 110.649 108.800 -0.132 0.000 2.788 14 G HA2 0.465 4.425 3.960 -0.000 0.000 0.293 14 G HA3 0.465 4.425 3.960 -0.000 0.000 0.293 14 G C -2.710 172.154 174.900 -0.059 0.000 1.392 14 G CA -1.077 43.977 45.100 -0.078 0.000 0.810 14 G HN 0.461 nan 8.290 nan 0.000 0.508 15 P HA 0.380 nan 4.420 nan 0.000 0.265 15 P C 0.431 177.823 177.300 0.154 0.000 1.187 15 P CA 0.106 63.229 63.100 0.039 0.000 0.766 15 P CB 0.489 32.205 31.700 0.028 0.000 0.820 16 A N 2.350 125.323 122.820 0.255 0.000 2.609 16 A HA 0.019 4.339 4.320 -0.000 0.000 0.232 16 A C 0.381 178.040 177.584 0.125 0.000 1.041 16 A CA 0.494 52.704 52.037 0.289 0.000 0.753 16 A CB -0.383 18.735 19.000 0.196 0.000 0.966 16 A HN 0.590 nan 8.150 nan 0.000 0.510 17 D N 1.233 121.676 120.400 0.071 0.000 2.308 17 D HA 0.461 5.101 4.640 -0.000 0.000 0.242 17 D C 0.387 176.686 176.300 -0.000 0.000 1.059 17 D CA -0.441 53.577 54.000 0.030 0.000 0.830 17 D CB 0.774 41.589 40.800 0.026 0.000 1.161 17 D HN 0.289 nan 8.370 nan 0.000 0.494 18 L N 3.013 124.237 121.223 0.001 0.000 2.667 18 L HA 0.400 4.740 4.340 -0.000 0.000 0.232 18 L C 1.295 178.160 176.870 -0.009 0.000 1.138 18 L CA -0.013 54.824 54.840 -0.005 0.000 0.921 18 L CB -0.879 41.180 42.059 0.001 0.000 1.180 18 L HN 0.702 nan 8.230 nan 0.000 0.487 19 G N 0.965 109.757 108.800 -0.013 0.000 2.877 19 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.279 19 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.279 19 G C -0.124 174.763 174.900 -0.022 0.000 1.431 19 G CA -0.663 44.424 45.100 -0.021 0.000 0.883 19 G HN -0.032 nan 8.290 nan 0.000 0.547 20 M N -0.416 119.165 119.600 -0.032 0.000 2.202 20 M HA 0.362 4.842 4.480 -0.000 0.000 0.316 20 M C 1.544 177.824 176.300 -0.032 0.000 1.138 20 M CA 0.467 55.747 55.300 -0.033 0.000 1.151 20 M CB 0.358 32.932 32.600 -0.044 0.000 1.422 20 M HN 0.658 nan 8.290 nan 0.000 0.471 21 T N -1.178 113.359 114.554 -0.029 0.000 3.087 21 T HA 0.059 4.409 4.350 -0.000 0.000 0.237 21 T C 0.373 175.053 174.700 -0.034 0.000 0.990 21 T CA -0.097 61.989 62.100 -0.023 0.000 1.160 21 T CB 0.288 69.147 68.868 -0.014 0.000 0.923 21 T HN 0.587 nan 8.240 nan 0.000 0.442 22 E N 1.502 121.679 120.200 -0.037 0.000 3.771 22 E HA -0.196 4.154 4.350 -0.000 0.000 0.271 22 E C -0.577 176.000 176.600 -0.039 0.000 1.545 22 E CA 1.186 57.561 56.400 -0.043 0.000 2.358 22 E CB -0.784 28.880 29.700 -0.060 0.000 2.055 22 E HN 0.327 nan 8.360 nan 0.000 0.431 23 D N 0.944 121.316 120.400 -0.046 0.000 2.848 23 D HA 0.200 4.840 4.640 -0.000 0.000 0.232 23 D C -0.506 175.770 176.300 -0.040 0.000 1.107 23 D CA 0.266 54.243 54.000 -0.038 0.000 1.020 23 D CB -0.383 40.392 40.800 -0.041 0.000 1.148 23 D HN 0.027 nan 8.370 nan 0.000 0.453 24 V N 1.201 121.100 119.914 -0.027 0.000 2.547 24 V HA 0.162 4.282 4.120 -0.000 0.000 0.299 24 V C 0.724 176.858 176.094 0.067 0.000 1.040 24 V CA -1.231 61.063 62.300 -0.010 0.000 0.913 24 V CB 2.065 33.875 31.823 -0.021 0.000 0.992 24 V HN 0.273 nan 8.190 nan 0.000 0.449 25 N N 4.729 123.515 118.700 0.144 0.000 2.406 25 N HA 0.013 4.753 4.740 -0.000 0.000 0.269 25 N C 0.844 176.434 175.510 0.134 0.000 1.210 25 N CA -0.766 52.360 53.050 0.127 0.000 0.966 25 N CB 0.585 39.134 38.487 0.104 0.000 1.293 25 N HN 0.559 nan 8.380 nan 0.000 0.491 26 L N 3.115 124.380 121.223 0.070 0.000 2.357 26 L HA -0.196 4.144 4.340 -0.000 0.000 0.220 26 L C 2.390 179.246 176.870 -0.024 0.000 1.123 26 L CA 1.169 56.031 54.840 0.037 0.000 0.782 26 L CB -2.043 40.025 42.059 0.014 0.000 0.910 26 L HN 0.621 nan 8.230 nan 0.000 0.442 27 A N -0.408 122.386 122.820 -0.042 0.000 2.121 27 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 27 A C 1.855 179.337 177.584 -0.170 0.000 1.154 27 A CA 1.023 53.011 52.037 -0.082 0.000 0.679 27 A CB -0.347 18.614 19.000 -0.064 0.000 0.795 27 A HN 0.439 nan 8.150 nan 0.000 0.458 28 N N -0.294 118.225 118.700 -0.302 0.000 2.230 28 N HA 0.084 4.824 4.740 -0.000 0.000 0.202 28 N C -0.066 175.092 175.510 -0.587 0.000 1.119 28 N CA 0.123 52.809 53.050 -0.607 0.000 0.851 28 N CB 0.277 38.115 38.487 -1.081 0.000 0.990 28 N HN 0.451 nan 8.380 nan 0.000 0.497 29 R N 0.726 121.064 120.500 -0.269 0.000 2.349 29 R HA 0.245 4.585 4.340 -0.000 0.000 0.299 29 R C 0.995 177.239 176.300 -0.092 0.000 1.027 29 R CA -0.278 55.751 56.100 -0.118 0.000 0.958 29 R CB 1.225 31.530 30.300 0.010 0.000 1.047 29 R HN 0.100 nan 8.270 nan 0.000 0.468 30 S N 1.256 116.915 115.700 -0.068 0.000 2.587 30 S HA 0.260 4.730 4.470 -0.000 0.000 0.252 30 S C 0.727 175.306 174.600 -0.035 0.000 1.282 30 S CA -0.428 57.742 58.200 -0.051 0.000 0.977 30 S CB 0.322 63.501 63.200 -0.037 0.000 1.015 30 S HN 0.628 nan 8.310 nan 0.000 0.557 31 G N -1.094 107.689 108.800 -0.028 0.000 2.511 31 G HA2 0.542 4.502 3.960 -0.000 0.000 0.316 31 G HA3 0.542 4.502 3.960 -0.000 0.000 0.316 31 G C -0.791 174.092 174.900 -0.028 0.000 1.210 31 G CA -0.914 44.173 45.100 -0.021 0.000 0.969 31 G HN 0.741 nan 8.290 nan 0.000 0.492 32 V N 0.559 120.456 119.914 -0.027 0.000 2.583 32 V HA 0.479 4.599 4.120 -0.000 0.000 0.287 32 V C 1.374 177.433 176.094 -0.059 0.000 1.051 32 V CA 0.244 62.509 62.300 -0.059 0.000 1.010 32 V CB 0.833 32.618 31.823 -0.063 0.000 0.988 32 V HN 0.934 nan 8.190 nan 0.000 0.478 33 G N 5.373 114.118 108.800 -0.091 0.000 2.508 33 G HA2 0.482 4.442 3.960 -0.000 0.000 0.278 33 G HA3 0.482 4.442 3.960 -0.000 0.000 0.278 33 G C -2.409 172.442 174.900 -0.080 0.000 1.389 33 G CA -0.858 44.202 45.100 -0.067 0.000 1.050 33 G HN 0.621 nan 8.290 nan 0.000 0.522 34 P HA 0.277 nan 4.420 nan 0.000 0.282 34 P C -1.037 176.241 177.300 -0.037 0.000 1.286 34 P CA -0.316 62.810 63.100 0.044 0.000 0.777 34 P CB 0.400 32.132 31.700 0.054 0.000 1.184 35 F N -0.871 119.066 119.950 -0.021 0.000 2.426 35 F HA 0.340 4.867 4.527 0.000 0.000 0.348 35 F C 0.877 176.656 175.800 -0.034 0.000 1.124 35 F CA -0.298 57.683 58.000 -0.031 0.000 1.008 35 F CB 1.314 40.288 39.000 -0.043 0.000 1.139 35 F HN 0.040 nan 8.300 nan 0.000 0.452 36 S N 2.081 117.829 115.700 0.079 0.000 2.475 36 S HA 0.229 4.699 4.470 -0.000 0.000 0.281 36 S C 0.830 175.444 174.600 0.022 0.000 1.198 36 S CA -0.425 57.806 58.200 0.052 0.000 1.063 36 S CB 1.018 64.237 63.200 0.031 0.000 0.972 36 S HN 0.717 nan 8.310 nan 0.000 0.486 37 T N 5.522 120.066 114.554 -0.016 0.000 3.067 37 T HA 0.020 4.370 4.350 -0.000 0.000 0.261 37 T C 1.519 176.101 174.700 -0.196 0.000 1.110 37 T CA 0.335 62.339 62.100 -0.160 0.000 1.113 37 T CB -0.179 68.624 68.868 -0.107 0.000 0.917 37 T HN 0.528 nan 8.240 nan 0.000 0.499 38 L N 1.288 122.525 121.223 0.024 0.000 1.993 38 L HA 0.148 4.488 4.340 -0.000 0.000 0.206 38 L C 2.117 179.095 176.870 0.180 0.000 1.074 38 L CA 1.628 56.573 54.840 0.174 0.000 0.746 38 L CB -0.822 41.316 42.059 0.133 0.000 0.896 38 L HN 0.196 nan 8.230 nan 0.000 0.435 39 L N -0.451 120.838 121.223 0.110 0.000 2.043 39 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 39 L C 2.482 179.442 176.870 0.150 0.000 1.075 39 L CA 1.504 56.428 54.840 0.140 0.000 0.752 39 L CB -1.639 40.470 42.059 0.084 0.000 0.891 39 L HN 0.541 nan 8.230 nan 0.000 0.432 40 G N -0.644 108.155 108.800 -0.002 0.000 2.581 40 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.223 40 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.223 40 G C 1.088 175.915 174.900 -0.122 0.000 1.094 40 G CA 0.675 45.703 45.100 -0.120 0.000 0.736 40 G HN 0.491 nan 8.290 nan 0.000 0.588 41 W N -1.660 119.757 121.300 0.195 0.000 2.584 41 W HA 0.335 4.995 4.660 -0.000 0.000 0.264 41 W C 1.910 178.691 176.519 0.438 0.000 1.264 41 W CA -0.566 56.940 57.345 0.268 0.000 1.306 41 W CB -0.090 29.503 29.460 0.222 0.000 1.110 41 W HN 0.132 nan 8.180 nan 0.000 0.606 42 F N -0.632 119.556 119.950 0.397 0.000 2.453 42 F HA 0.426 4.953 4.527 -0.000 0.000 0.284 42 F C 1.470 177.352 175.800 0.135 0.000 1.065 42 F CA 1.295 59.462 58.000 0.278 0.000 1.411 42 F CB -0.279 38.865 39.000 0.241 0.000 1.131 42 F HN -0.221 nan 8.300 nan 0.000 0.582 43 G N -0.643 108.283 108.800 0.211 0.000 3.039 43 G HA2 0.178 4.138 3.960 -0.000 0.000 0.202 43 G HA3 0.178 4.138 3.960 -0.000 0.000 0.202 43 G C -1.252 173.684 174.900 0.061 0.000 1.151 43 G CA -0.944 44.192 45.100 0.061 0.000 0.836 43 G HN 0.030 nan 8.290 nan 0.000 0.598 44 N N 0.703 119.425 118.700 0.037 0.000 2.497 44 N HA 0.407 5.147 4.740 -0.000 0.000 0.271 44 N C 1.068 176.588 175.510 0.017 0.000 1.142 44 N CA 0.210 53.272 53.050 0.021 0.000 0.965 44 N CB 1.839 40.325 38.487 -0.000 0.000 1.077 44 N HN 0.514 nan 8.380 nan 0.000 0.462 45 A N 2.492 125.329 122.820 0.029 0.000 2.067 45 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 45 A C 0.994 178.523 177.584 -0.091 0.000 1.156 45 A CA 0.625 52.687 52.037 0.042 0.000 0.683 45 A CB -0.036 19.053 19.000 0.150 0.000 0.808 45 A HN 0.756 nan 8.150 nan 0.000 0.455 46 Q N 0.592 120.260 119.800 -0.220 0.000 2.286 46 Q HA 0.394 4.734 4.340 -0.000 0.000 0.267 46 Q C -1.099 174.689 176.000 -0.354 0.000 1.028 46 Q CA -0.099 55.359 55.803 -0.575 0.000 0.901 46 Q CB 0.278 28.722 28.738 -0.490 0.000 1.183 46 Q HN 0.526 nan 8.270 nan 0.000 0.392 47 L N 3.707 124.711 121.223 -0.364 0.000 2.334 47 L HA 0.562 4.902 4.340 -0.000 0.000 0.277 47 L C 0.757 177.509 176.870 -0.198 0.000 1.075 47 L CA 0.117 54.837 54.840 -0.200 0.000 0.804 47 L CB 1.195 43.175 42.059 -0.132 0.000 1.174 47 L HN 0.983 nan 8.230 nan 0.000 0.438 48 G N 3.116 111.843 108.800 -0.122 0.000 2.888 48 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.441 48 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.441 48 G C -2.934 171.906 174.900 -0.100 0.000 1.461 48 G CA -1.051 43.994 45.100 -0.092 0.000 0.897 48 G HN 0.436 nan 8.290 nan 0.000 0.547 49 P HA 0.601 nan 4.420 nan 0.000 0.278 49 P C 0.044 177.335 177.300 -0.015 0.000 1.266 49 P CA -0.754 62.325 63.100 -0.035 0.000 0.807 49 P CB 0.998 32.687 31.700 -0.020 0.000 1.094 50 I N 0.728 121.298 120.570 -0.000 0.000 2.982 50 I HA 0.372 4.542 4.170 -0.000 0.000 0.312 50 I C -1.260 174.897 176.117 0.068 0.000 1.041 50 I CA -1.291 60.026 61.300 0.028 0.000 1.053 50 I CB 1.586 39.600 38.000 0.023 0.000 1.248 50 I HN 0.301 nan 8.210 nan 0.000 0.471 51 Y N 6.021 126.280 120.300 -0.068 0.000 2.447 51 Y HA 0.411 4.961 4.550 -0.000 0.000 0.325 51 Y C -1.091 174.762 175.900 -0.077 0.000 0.976 51 Y CA -0.768 57.288 58.100 -0.075 0.000 1.280 51 Y CB 0.496 38.899 38.460 -0.095 0.000 1.104 51 Y HN 0.341 nan 8.280 nan 0.000 0.486 52 L N 4.112 125.250 121.223 -0.141 0.000 2.488 52 L HA 0.884 5.224 4.340 -0.000 0.000 0.249 52 L C 0.653 177.385 176.870 -0.230 0.000 1.151 52 L CA -0.027 54.760 54.840 -0.088 0.000 0.806 52 L CB 1.090 43.109 42.059 -0.066 0.000 1.261 52 L HN 0.853 nan 8.230 nan 0.000 0.484 53 G N -1.221 107.527 108.800 -0.086 0.000 2.325 53 G HA2 0.254 4.214 3.960 -0.000 0.000 0.297 53 G HA3 0.254 4.214 3.960 -0.000 0.000 0.297 53 G C 0.226 175.130 174.900 0.007 0.000 1.448 53 G CA 0.105 45.170 45.100 -0.058 0.000 0.838 53 G HN 0.444 nan 8.290 nan 0.000 0.579 54 S N -0.631 115.076 115.700 0.012 0.000 2.393 54 S HA -0.233 4.237 4.470 -0.000 0.000 0.235 54 S C 2.446 177.071 174.600 0.043 0.000 1.061 54 S CA 2.133 60.346 58.200 0.022 0.000 1.129 54 S CB -0.366 62.847 63.200 0.022 0.000 1.011 54 S HN 0.532 nan 8.310 nan 0.000 0.436 55 L N 1.365 122.614 121.223 0.044 0.000 2.093 55 L HA 0.046 4.386 4.340 -0.000 0.000 0.208 55 L C 2.487 179.392 176.870 0.057 0.000 1.085 55 L CA 1.795 56.664 54.840 0.048 0.000 0.755 55 L CB -1.449 40.618 42.059 0.014 0.000 0.904 55 L HN 0.396 nan 8.230 nan 0.000 0.435 56 G N -1.499 107.322 108.800 0.034 0.000 2.421 56 G HA2 -0.179 3.780 3.960 -0.000 0.000 0.216 56 G HA3 -0.179 3.780 3.960 -0.000 0.000 0.216 56 G C 1.555 176.526 174.900 0.117 0.000 1.171 56 G CA 1.036 46.164 45.100 0.047 0.000 0.775 56 G HN 0.281 nan 8.290 nan 0.000 0.543 57 V N 0.718 120.686 119.914 0.089 0.000 2.453 57 V HA -0.086 4.033 4.120 -0.000 0.000 0.247 57 V C 2.632 178.820 176.094 0.157 0.000 1.048 57 V CA 1.425 63.789 62.300 0.107 0.000 1.049 57 V CB -0.481 31.374 31.823 0.053 0.000 0.672 57 V HN 0.337 nan 8.190 nan 0.000 0.457 58 L N 0.246 121.550 121.223 0.136 0.000 1.956 58 L HA -0.200 4.140 4.340 -0.000 0.000 0.216 58 L C 2.651 179.656 176.870 0.225 0.000 1.073 58 L CA 2.562 57.508 54.840 0.178 0.000 0.762 58 L CB -0.913 41.231 42.059 0.141 0.000 0.889 58 L HN 0.306 nan 8.230 nan 0.000 0.433 59 S N -0.799 115.022 115.700 0.201 0.000 2.377 59 S HA -0.295 4.175 4.470 -0.000 0.000 0.224 59 S C 2.075 176.784 174.600 0.181 0.000 1.042 59 S CA 2.180 60.513 58.200 0.220 0.000 1.086 59 S CB -0.752 62.658 63.200 0.350 0.000 0.995 59 S HN 0.491 nan 8.310 nan 0.000 0.428 60 L N -0.010 121.337 121.223 0.206 0.000 2.079 60 L HA -0.099 4.241 4.340 -0.000 0.000 0.210 60 L C 2.200 179.127 176.870 0.094 0.000 1.081 60 L CA 1.967 56.888 54.840 0.134 0.000 0.752 60 L CB -0.429 41.724 42.059 0.156 0.000 0.896 60 L HN 0.531 nan 8.230 nan 0.000 0.433 61 F N -0.223 119.746 119.950 0.032 0.000 2.113 61 F HA -0.221 4.306 4.527 -0.000 0.000 0.297 61 F C 2.470 178.243 175.800 -0.044 0.000 1.103 61 F CA 1.819 59.823 58.000 0.008 0.000 1.248 61 F CB -0.432 38.579 39.000 0.017 0.000 0.999 61 F HN 0.083 nan 8.300 nan 0.000 0.475 62 S N 0.726 116.347 115.700 -0.131 0.000 2.356 62 S HA -0.112 4.358 4.470 -0.000 0.000 0.223 62 S C 2.434 176.903 174.600 -0.218 0.000 1.032 62 S CA 1.042 59.086 58.200 -0.261 0.000 1.005 62 S CB -1.654 61.576 63.200 0.051 0.000 0.867 62 S HN 0.621 nan 8.310 nan 0.000 0.449 63 G N 2.857 111.595 108.800 -0.103 0.000 2.649 63 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.220 63 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.220 63 G C 1.315 176.165 174.900 -0.084 0.000 1.189 63 G CA 1.452 46.512 45.100 -0.067 0.000 0.777 63 G HN 0.465 nan 8.290 nan 0.000 0.602 64 L N -0.425 120.637 121.223 -0.268 0.000 2.056 64 L HA -0.065 4.275 4.340 -0.000 0.000 0.207 64 L C 3.171 179.783 176.870 -0.431 0.000 1.078 64 L CA 0.820 55.379 54.840 -0.469 0.000 0.749 64 L CB -0.505 41.351 42.059 -0.338 0.000 0.901 64 L HN 0.172 nan 8.230 nan 0.000 0.433 65 M N -0.796 118.514 119.600 -0.485 0.000 2.106 65 M HA -0.264 4.216 4.480 -0.000 0.000 0.259 65 M C 2.147 178.365 176.300 -0.137 0.000 1.068 65 M CA 1.933 56.921 55.300 -0.520 0.000 1.100 65 M CB -1.280 30.431 32.600 -1.482 0.000 1.351 65 M HN 0.473 nan 8.290 nan 0.000 0.404 66 W N 0.553 121.747 121.300 -0.176 0.000 2.353 66 W HA -0.261 4.399 4.660 -0.000 0.000 0.319 66 W C 2.214 178.648 176.519 -0.142 0.000 1.207 66 W CA 1.386 58.706 57.345 -0.042 0.000 1.291 66 W CB -1.045 28.374 29.460 -0.068 0.000 1.159 66 W HN 0.147 nan 8.180 nan 0.000 0.478 67 F N 0.739 120.333 119.950 -0.593 0.000 2.045 67 F HA -0.307 4.220 4.527 -0.000 0.000 0.297 67 F C 2.174 177.591 175.800 -0.638 0.000 1.114 67 F CA 2.624 60.079 58.000 -0.907 0.000 1.207 67 F CB -1.261 37.298 39.000 -0.736 0.000 0.964 67 F HN -0.094 nan 8.300 nan 0.000 0.486 68 F N -0.094 119.738 119.950 -0.197 0.000 2.186 68 F HA -0.145 4.382 4.527 -0.000 0.000 0.299 68 F C 2.587 178.275 175.800 -0.187 0.000 1.090 68 F CA 1.601 59.494 58.000 -0.179 0.000 1.307 68 F CB -1.782 37.183 39.000 -0.059 0.000 1.019 68 F HN -0.112 nan 8.300 nan 0.000 0.489 69 T N 0.888 115.448 114.554 0.010 0.000 2.684 69 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 69 T C 2.217 176.858 174.700 -0.097 0.000 1.036 69 T CA 1.667 63.782 62.100 0.025 0.000 1.148 69 T CB -0.527 68.386 68.868 0.075 0.000 0.863 69 T HN 0.180 nan 8.240 nan 0.000 0.436 70 I N 0.953 121.291 120.570 -0.387 0.000 2.179 70 I HA -0.114 4.056 4.170 -0.000 0.000 0.242 70 I C 2.905 178.699 176.117 -0.539 0.000 1.088 70 I CA 1.308 62.286 61.300 -0.537 0.000 1.357 70 I CB -0.760 36.682 38.000 -0.930 0.000 1.051 70 I HN 0.317 nan 8.210 nan 0.000 0.409 71 G N 1.546 110.060 108.800 -0.475 0.000 2.440 71 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.218 71 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.218 71 G C 1.578 176.592 174.900 0.190 0.000 1.154 71 G CA 0.571 45.561 45.100 -0.184 0.000 0.767 71 G HN 0.175 nan 8.290 nan 0.000 0.552 72 I N -0.129 120.564 120.570 0.206 0.000 2.069 72 I HA -0.213 3.957 4.170 -0.000 0.000 0.237 72 I C 2.464 178.758 176.117 0.296 0.000 1.053 72 I CA 1.269 62.742 61.300 0.289 0.000 1.311 72 I CB -1.516 36.638 38.000 0.257 0.000 1.030 72 I HN 0.438 nan 8.210 nan 0.000 0.398 73 W N 1.903 123.256 121.300 0.088 0.000 2.290 73 W HA -0.352 4.308 4.660 -0.000 0.000 0.328 73 W C 2.650 179.276 176.519 0.177 0.000 1.272 73 W CA 1.859 59.305 57.345 0.169 0.000 1.262 73 W CB -0.548 29.019 29.460 0.179 0.000 1.151 73 W HN 0.046 nan 8.180 nan 0.000 0.473 74 F N -0.613 119.283 119.950 -0.091 0.000 2.087 74 F HA -0.239 4.288 4.527 -0.000 0.000 0.299 74 F C 2.176 177.454 175.800 -0.871 0.000 1.100 74 F CA 1.341 58.937 58.000 -0.672 0.000 1.226 74 F CB -1.902 36.709 39.000 -0.648 0.000 0.983 74 F HN 0.039 nan 8.300 nan 0.000 0.479 75 W N -1.058 120.159 121.300 -0.139 0.000 2.318 75 W HA -0.307 4.353 4.660 -0.000 0.000 0.313 75 W C 2.703 178.634 176.519 -0.980 0.000 1.221 75 W CA 1.886 58.987 57.345 -0.407 0.000 1.266 75 W CB -1.186 28.043 29.460 -0.385 0.000 1.150 75 W HN 0.077 nan 8.180 nan 0.000 0.496 76 Y N 1.128 120.888 120.300 -0.899 0.000 2.165 76 Y HA -0.317 4.233 4.550 -0.000 0.000 0.286 76 Y C 2.396 177.818 175.900 -0.798 0.000 1.155 76 Y CA 2.303 59.793 58.100 -1.016 0.000 1.164 76 Y CB -1.092 36.992 38.460 -0.626 0.000 0.978 76 Y HN 0.053 nan 8.280 nan 0.000 0.513 77 Q N -0.318 118.838 119.800 -1.073 0.000 2.135 77 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 77 Q C 2.341 178.002 176.000 -0.565 0.000 0.981 77 Q CA 1.587 56.841 55.803 -0.915 0.000 0.856 77 Q CB -0.383 27.975 28.738 -0.634 0.000 0.902 77 Q HN 0.619 nan 8.270 nan 0.000 0.425 78 A N -0.241 122.227 122.820 -0.588 0.000 2.121 78 A HA 0.108 4.428 4.320 -0.000 0.000 0.218 78 A C 1.413 178.883 177.584 -0.189 0.000 1.154 78 A CA 0.938 52.842 52.037 -0.223 0.000 0.679 78 A CB -0.635 18.276 19.000 -0.149 0.000 0.795 78 A HN 0.511 nan 8.150 nan 0.000 0.458 79 G N -2.779 105.776 108.800 -0.408 0.000 2.272 79 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.280 79 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.280 79 G C 0.278 175.228 174.900 0.083 0.000 1.067 79 G CA 0.301 45.285 45.100 -0.194 0.000 0.902 79 G HN 1.132 nan 8.290 nan 0.000 0.500 80 W N -2.568 118.842 121.300 0.184 0.000 2.323 80 W HA -0.271 4.389 4.660 -0.000 0.000 0.261 80 W C 0.932 177.622 176.519 0.285 0.000 1.029 80 W CA 0.974 58.474 57.345 0.259 0.000 0.499 80 W CB -1.979 27.551 29.460 0.116 0.000 2.045 80 W HN 1.237 nan 8.180 nan 0.000 1.374 81 N N 0.096 119.018 118.700 0.370 0.000 2.437 81 N HA 0.423 5.163 4.740 -0.000 0.000 0.259 81 N C -1.282 174.436 175.510 0.346 0.000 0.983 81 N CA -1.866 51.382 53.050 0.330 0.000 0.937 81 N CB 1.921 40.534 38.487 0.209 0.000 1.122 81 N HN -0.343 nan 8.380 nan 0.000 0.499 82 P HA -0.371 nan 4.420 nan 0.000 0.224 82 P C 1.090 178.540 177.300 0.251 0.000 1.153 82 P CA 2.921 66.257 63.100 0.394 0.000 0.947 82 P CB -0.043 31.835 31.700 0.296 0.000 0.790 83 A N -1.200 121.725 122.820 0.175 0.000 1.903 83 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 83 A C 2.410 180.049 177.584 0.091 0.000 1.191 83 A CA 2.612 54.715 52.037 0.110 0.000 0.638 83 A CB -1.713 17.334 19.000 0.078 0.000 0.823 83 A HN 0.111 nan 8.150 nan 0.000 0.451 84 V N -1.501 118.478 119.914 0.109 0.000 2.270 84 V HA -0.210 3.910 4.120 -0.000 0.000 0.245 84 V C 2.236 178.408 176.094 0.130 0.000 1.043 84 V CA 1.997 64.345 62.300 0.080 0.000 1.014 84 V CB -1.001 30.871 31.823 0.082 0.000 0.645 84 V HN 0.614 nan 8.190 nan 0.000 0.447 85 F N 0.307 120.230 119.950 -0.045 0.000 2.063 85 F HA -0.270 4.257 4.527 -0.000 0.000 0.298 85 F C 2.178 177.958 175.800 -0.033 0.000 1.109 85 F CA 1.909 59.795 58.000 -0.189 0.000 1.212 85 F CB -0.252 38.246 39.000 -0.837 0.000 0.973 85 F HN -0.003 nan 8.300 nan 0.000 0.480 86 L N -0.161 121.144 121.223 0.138 0.000 2.046 86 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 86 L C 2.724 179.532 176.870 -0.103 0.000 1.077 86 L CA 1.759 56.613 54.840 0.024 0.000 0.747 86 L CB -0.784 41.323 42.059 0.081 0.000 0.896 86 L HN 0.199 nan 8.230 nan 0.000 0.432 87 R N 0.290 120.738 120.500 -0.087 0.000 2.073 87 R HA -0.162 4.178 4.340 -0.000 0.000 0.234 87 R C 0.516 176.648 176.300 -0.280 0.000 1.134 87 R CA 1.770 57.774 56.100 -0.161 0.000 0.952 87 R CB 0.037 30.252 30.300 -0.141 0.000 0.850 87 R HN 0.277 nan 8.270 nan 0.000 0.433 88 D N 0.700 120.866 120.400 -0.391 0.000 2.587 88 D HA 0.010 4.650 4.640 -0.000 0.000 0.233 88 D C 1.042 176.832 176.300 -0.849 0.000 1.213 88 D CA -0.115 53.473 54.000 -0.688 0.000 0.827 88 D CB 0.621 40.813 40.800 -1.013 0.000 1.006 88 D HN 0.112 nan 8.370 nan 0.000 0.490 89 L N 0.135 121.101 121.223 -0.428 0.000 1.989 89 L HA -0.158 4.182 4.340 -0.000 0.000 0.211 89 L C 1.518 178.313 176.870 -0.124 0.000 1.071 89 L CA 1.770 56.449 54.840 -0.269 0.000 0.749 89 L CB -0.494 41.427 42.059 -0.229 0.000 0.890 89 L HN 0.024 nan 8.230 nan 0.000 0.431 90 F N -1.332 118.349 119.950 -0.448 0.000 2.604 90 F HA -0.047 4.480 4.527 -0.000 0.000 0.298 90 F C 1.987 177.296 175.800 -0.818 0.000 1.131 90 F CA 0.343 57.840 58.000 -0.838 0.000 1.457 90 F CB -1.145 36.898 39.000 -1.595 0.000 1.095 90 F HN 0.102 nan 8.300 nan 0.000 0.574 91 F N -2.341 117.335 119.950 -0.458 0.000 2.714 91 F HA 0.116 4.643 4.527 -0.000 0.000 0.294 91 F C 0.975 176.500 175.800 -0.458 0.000 1.120 91 F CA -0.576 57.215 58.000 -0.347 0.000 1.398 91 F CB -0.457 38.342 39.000 -0.334 0.000 1.120 91 F HN -0.335 nan 8.300 nan 0.000 0.589 92 F N 0.564 120.310 119.950 -0.340 0.000 2.472 92 F HA 0.346 4.873 4.527 -0.000 0.000 0.312 92 F C 0.777 176.326 175.800 -0.419 0.000 1.256 92 F CA -0.374 57.251 58.000 -0.624 0.000 1.275 92 F CB 0.092 38.168 39.000 -1.540 0.000 1.228 92 F HN -0.281 nan 8.300 nan 0.000 0.567 93 S N 0.493 116.307 115.700 0.189 0.000 2.604 93 S HA 0.446 4.916 4.470 -0.000 0.000 0.296 93 S C -2.147 172.857 174.600 0.672 0.000 1.097 93 S CA -0.812 57.666 58.200 0.463 0.000 0.883 93 S CB 0.680 64.062 63.200 0.305 0.000 1.081 93 S HN 0.652 nan 8.310 nan 0.000 0.448 94 L N 4.503 126.078 121.223 0.587 0.000 2.294 94 L HA 0.672 5.012 4.340 -0.000 0.000 0.283 94 L C -0.468 176.571 176.870 0.282 0.000 1.015 94 L CA 0.111 55.108 54.840 0.262 0.000 0.831 94 L CB 1.063 43.254 42.059 0.219 0.000 1.217 94 L HN 0.659 nan 8.230 nan 0.000 0.420 95 E N 6.144 126.422 120.200 0.130 0.000 2.214 95 E HA 0.464 4.814 4.350 -0.000 0.000 0.274 95 E C -2.442 174.024 176.600 -0.223 0.000 0.977 95 E CA -1.923 54.485 56.400 0.013 0.000 0.827 95 E CB 0.902 30.638 29.700 0.060 0.000 1.130 95 E HN 0.426 nan 8.360 nan 0.000 0.394 96 P HA 0.089 nan 4.420 nan 0.000 0.271 96 P C -2.444 174.658 177.300 -0.330 0.000 1.244 96 P CA -1.083 61.401 63.100 -1.027 0.000 0.793 96 P CB -0.786 30.193 31.700 -1.201 0.000 0.984 97 P HA 0.057 nan 4.420 nan 0.000 0.269 97 P C -0.297 177.080 177.300 0.127 0.000 1.209 97 P CA 0.127 63.253 63.100 0.045 0.000 0.776 97 P CB 0.111 31.876 31.700 0.108 0.000 0.876 98 A N 4.768 127.745 122.820 0.262 0.000 2.466 98 A HA 0.189 4.509 4.320 -0.000 0.000 0.238 98 A C -1.111 176.512 177.584 0.064 0.000 1.074 98 A CA -0.713 51.401 52.037 0.129 0.000 0.774 98 A CB -1.298 17.754 19.000 0.086 0.000 1.015 98 A HN 0.400 nan 8.150 nan 0.000 0.498 99 P HA -0.248 nan 4.420 nan 0.000 0.216 99 P C 1.378 178.628 177.300 -0.082 0.000 1.157 99 P CA 1.786 64.857 63.100 -0.048 0.000 0.880 99 P CB 0.020 31.685 31.700 -0.059 0.000 0.791 100 E N -1.098 119.009 120.200 -0.155 0.000 2.245 100 E HA -0.272 4.078 4.350 -0.000 0.000 0.217 100 E C 0.983 177.417 176.600 -0.277 0.000 1.069 100 E CA 1.529 57.765 56.400 -0.273 0.000 0.877 100 E CB -0.559 28.877 29.700 -0.440 0.000 0.757 100 E HN 0.342 nan 8.360 nan 0.000 0.464 101 Y N -0.040 120.254 120.300 -0.010 0.000 2.471 101 Y HA 0.231 4.781 4.550 -0.000 0.000 0.286 101 Y C 1.564 177.447 175.900 -0.027 0.000 1.188 101 Y CA 0.184 58.287 58.100 0.005 0.000 1.286 101 Y CB -0.085 38.401 38.460 0.044 0.000 1.072 101 Y HN 0.271 nan 8.280 nan 0.000 0.517 102 G N 1.007 109.819 108.800 0.020 0.000 2.627 102 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.312 102 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.312 102 G C 0.785 175.527 174.900 -0.263 0.000 1.299 102 G CA 0.709 45.743 45.100 -0.111 0.000 0.989 102 G HN 0.335 nan 8.290 nan 0.000 0.547 103 L N 1.755 122.756 121.223 -0.371 0.000 2.611 103 L HA 0.279 4.619 4.340 -0.000 0.000 0.229 103 L C 1.957 178.747 176.870 -0.133 0.000 1.137 103 L CA 0.602 55.028 54.840 -0.690 0.000 0.901 103 L CB -0.285 41.390 42.059 -0.640 0.000 1.098 103 L HN 0.672 nan 8.230 nan 0.000 0.456 104 S N -0.750 114.980 115.700 0.050 0.000 2.600 104 S HA 0.157 4.627 4.470 -0.000 0.000 0.265 104 S C 0.249 174.946 174.600 0.162 0.000 1.325 104 S CA -0.260 58.049 58.200 0.183 0.000 1.002 104 S CB 0.489 63.805 63.200 0.193 0.000 0.921 104 S HN 0.182 nan 8.310 nan 0.000 0.554 105 F N 0.523 120.585 119.950 0.187 0.000 2.713 105 F HA 0.429 4.956 4.527 -0.000 0.000 0.294 105 F C 1.744 177.555 175.800 0.019 0.000 1.152 105 F CA -0.181 57.873 58.000 0.091 0.000 1.385 105 F CB -0.249 38.772 39.000 0.034 0.000 0.981 105 F HN 0.751 nan 8.300 nan 0.000 0.514 106 A N 0.190 123.106 122.820 0.159 0.000 2.195 106 A HA 0.537 4.856 4.320 -0.000 0.000 0.210 106 A C 1.470 179.003 177.584 -0.085 0.000 1.165 106 A CA 0.206 52.288 52.037 0.076 0.000 0.806 106 A CB -0.408 18.666 19.000 0.124 0.000 0.847 106 A HN 0.199 nan 8.150 nan 0.000 0.482 107 A N 1.388 124.023 122.820 -0.309 0.000 2.531 107 A HA 0.476 4.796 4.320 -0.000 0.000 0.236 107 A C -2.256 175.120 177.584 -0.348 0.000 1.062 107 A CA -0.802 50.767 52.037 -0.781 0.000 0.760 107 A CB -0.449 17.935 19.000 -1.026 0.000 0.995 107 A HN 0.258 nan 8.150 nan 0.000 0.501 108 P HA 0.104 nan 4.420 nan 0.000 0.269 108 P C 1.022 178.282 177.300 -0.067 0.000 1.215 108 P CA -0.309 62.743 63.100 -0.080 0.000 0.780 108 P CB 0.346 32.048 31.700 0.004 0.000 0.898 109 L N 1.436 122.650 121.223 -0.015 0.000 1.963 109 L HA -0.276 4.064 4.340 -0.000 0.000 0.220 109 L C 2.108 178.971 176.870 -0.011 0.000 1.076 109 L CA 2.063 56.899 54.840 -0.007 0.000 0.772 109 L CB -1.018 41.064 42.059 0.038 0.000 0.892 109 L HN 0.438 nan 8.230 nan 0.000 0.435 110 K N -0.213 120.236 120.400 0.082 0.000 2.360 110 K HA -0.143 4.177 4.320 -0.000 0.000 0.201 110 K C 1.415 178.084 176.600 0.114 0.000 1.046 110 K CA 0.971 57.365 56.287 0.179 0.000 0.940 110 K CB -0.037 32.647 32.500 0.306 0.000 0.748 110 K HN 0.386 nan 8.250 nan 0.000 0.465 111 E N -0.730 119.500 120.200 0.050 0.000 2.444 111 E HA 0.082 4.432 4.350 -0.000 0.000 0.191 111 E C 0.820 177.404 176.600 -0.027 0.000 1.041 111 E CA 0.396 56.833 56.400 0.062 0.000 0.883 111 E CB 1.222 30.984 29.700 0.104 0.000 1.024 111 E HN 0.478 nan 8.360 nan 0.000 0.470 112 G N 0.493 109.255 108.800 -0.064 0.000 2.318 112 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.172 112 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.172 112 G C 1.158 176.061 174.900 0.004 0.000 1.002 112 G CA -0.089 44.992 45.100 -0.032 0.000 0.697 112 G HN 0.387 nan 8.290 nan 0.000 0.483 113 G N 1.000 109.767 108.800 -0.055 0.000 2.469 113 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.219 113 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.219 113 G C 1.816 176.711 174.900 -0.009 0.000 1.150 113 G CA 1.323 46.405 45.100 -0.031 0.000 0.763 113 G HN 0.554 nan 8.290 nan 0.000 0.561 114 L N -1.164 120.040 121.223 -0.032 0.000 1.989 114 L HA -0.133 4.207 4.340 -0.000 0.000 0.211 114 L C 2.627 179.499 176.870 0.003 0.000 1.071 114 L CA 1.924 56.740 54.840 -0.039 0.000 0.749 114 L CB -0.403 41.576 42.059 -0.134 0.000 0.890 114 L HN 0.518 nan 8.230 nan 0.000 0.431 115 W N 0.724 121.956 121.300 -0.113 0.000 2.304 115 W HA -0.302 4.358 4.660 -0.000 0.000 0.315 115 W C 2.277 178.812 176.519 0.026 0.000 1.233 115 W CA 1.942 59.292 57.345 0.009 0.000 1.261 115 W CB -0.296 29.139 29.460 -0.042 0.000 1.150 115 W HN 0.028 nan 8.180 nan 0.000 0.494 116 L N -0.097 121.183 121.223 0.095 0.000 2.093 116 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 116 L C 2.459 179.224 176.870 -0.174 0.000 1.085 116 L CA 1.296 56.061 54.840 -0.124 0.000 0.755 116 L CB -0.894 41.123 42.059 -0.069 0.000 0.904 116 L HN 0.037 nan 8.230 nan 0.000 0.435 117 I N -0.168 120.323 120.570 -0.131 0.000 2.113 117 I HA -0.318 3.852 4.170 -0.000 0.000 0.238 117 I C 2.827 178.819 176.117 -0.208 0.000 1.070 117 I CA 1.277 62.456 61.300 -0.202 0.000 1.332 117 I CB -0.585 37.334 38.000 -0.136 0.000 1.044 117 I HN 0.233 nan 8.210 nan 0.000 0.402 118 A N 0.408 123.173 122.820 -0.092 0.000 1.892 118 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 118 A C 2.484 180.105 177.584 0.062 0.000 1.188 118 A CA 2.538 54.602 52.037 0.044 0.000 0.631 118 A CB -0.910 17.975 19.000 -0.191 0.000 0.822 118 A HN 0.443 nan 8.150 nan 0.000 0.447 119 S N -1.070 114.495 115.700 -0.224 0.000 2.353 119 S HA -0.184 4.286 4.470 -0.000 0.000 0.222 119 S C 1.655 176.227 174.600 -0.046 0.000 1.035 119 S CA 1.535 59.589 58.200 -0.243 0.000 1.025 119 S CB -0.642 62.130 63.200 -0.714 0.000 0.902 119 S HN 0.642 nan 8.310 nan 0.000 0.440 120 F N 2.075 121.906 119.950 -0.198 0.000 2.063 120 F HA -0.239 4.288 4.527 -0.000 0.000 0.298 120 F C 1.798 177.632 175.800 0.057 0.000 1.109 120 F CA 1.495 59.418 58.000 -0.129 0.000 1.212 120 F CB -0.627 38.190 39.000 -0.305 0.000 0.973 120 F HN 0.117 nan 8.300 nan 0.000 0.480 121 F N 0.156 120.158 119.950 0.085 0.000 2.126 121 F HA -0.243 4.284 4.527 -0.000 0.000 0.299 121 F C 2.641 178.386 175.800 -0.091 0.000 1.096 121 F CA 1.714 59.718 58.000 0.006 0.000 1.255 121 F CB -1.334 37.756 39.000 0.150 0.000 0.997 121 F HN 0.138 nan 8.300 nan 0.000 0.479 122 M N -1.138 118.470 119.600 0.013 0.000 2.117 122 M HA -0.229 4.251 4.480 -0.000 0.000 0.262 122 M C 2.255 178.552 176.300 -0.005 0.000 1.065 122 M CA 1.655 56.776 55.300 -0.299 0.000 1.114 122 M CB -0.532 31.643 32.600 -0.709 0.000 1.361 122 M HN 0.108 nan 8.290 nan 0.000 0.408 123 F N 0.712 120.663 119.950 0.002 0.000 2.043 123 F HA -0.264 4.263 4.527 -0.000 0.000 0.297 123 F C 2.286 178.159 175.800 0.122 0.000 1.121 123 F CA 2.611 60.717 58.000 0.176 0.000 1.199 123 F CB -0.691 38.319 39.000 0.017 0.000 0.968 123 F HN 0.172 nan 8.300 nan 0.000 0.478 124 V N -0.512 119.472 119.914 0.118 0.000 2.343 124 V HA -0.148 3.972 4.120 -0.000 0.000 0.247 124 V C 2.378 178.511 176.094 0.064 0.000 1.051 124 V CA 1.606 63.948 62.300 0.070 0.000 1.036 124 V CB -1.898 29.914 31.823 -0.019 0.000 0.654 124 V HN 0.407 nan 8.190 nan 0.000 0.451 125 A N 0.411 123.241 122.820 0.016 0.000 1.892 125 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 125 A C 2.422 179.977 177.584 -0.047 0.000 1.188 125 A CA 2.800 54.828 52.037 -0.015 0.000 0.631 125 A CB -1.088 17.846 19.000 -0.111 0.000 0.822 125 A HN 0.541 nan 8.150 nan 0.000 0.447 126 V N -2.559 117.222 119.914 -0.223 0.000 2.283 126 V HA -0.248 3.872 4.120 -0.000 0.000 0.243 126 V C 2.268 178.245 176.094 -0.196 0.000 1.039 126 V CA 1.772 63.835 62.300 -0.396 0.000 1.016 126 V CB -1.029 30.148 31.823 -1.077 0.000 0.650 126 V HN 0.795 nan 8.190 nan 0.000 0.449 127 W N 0.875 122.055 121.300 -0.201 0.000 2.388 127 W HA -0.185 4.475 4.660 0.000 0.000 0.294 127 W C 2.996 179.592 176.519 0.128 0.000 1.212 127 W CA 1.761 59.059 57.345 -0.078 0.000 1.271 127 W CB -0.618 28.692 29.460 -0.250 0.000 1.126 127 W HN 0.369 nan 8.180 nan 0.000 0.535 128 S N -0.512 115.362 115.700 0.290 0.000 2.370 128 S HA -0.292 4.178 4.470 -0.000 0.000 0.226 128 S C 1.749 176.500 174.600 0.251 0.000 1.033 128 S CA 1.180 59.524 58.200 0.240 0.000 1.011 128 S CB -1.381 61.932 63.200 0.188 0.000 0.852 128 S HN 0.495 nan 8.310 nan 0.000 0.457 129 W N 0.777 122.126 121.300 0.082 0.000 2.374 129 W HA -0.096 4.564 4.660 -0.000 0.000 0.288 129 W C 1.933 178.571 176.519 0.199 0.000 1.218 129 W CA 1.012 58.407 57.345 0.082 0.000 1.245 129 W CB -0.524 28.958 29.460 0.037 0.000 1.126 129 W HN 0.536 nan 8.180 nan 0.000 0.545 130 W N 1.464 122.953 121.300 0.315 0.000 2.333 130 W HA -0.131 4.529 4.660 -0.000 0.000 0.316 130 W C 2.516 179.106 176.519 0.118 0.000 1.215 130 W CA 3.533 61.019 57.345 0.235 0.000 1.278 130 W CB -0.973 28.421 29.460 -0.110 0.000 1.154 130 W HN -0.125 nan 8.180 nan 0.000 0.486 131 G N 0.371 109.191 108.800 0.034 0.000 2.442 131 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.219 131 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.219 131 G C 1.605 176.319 174.900 -0.309 0.000 1.141 131 G CA 1.135 46.080 45.100 -0.257 0.000 0.763 131 G HN 0.371 nan 8.290 nan 0.000 0.554 132 R N -0.348 119.995 120.500 -0.263 0.000 2.083 132 R HA -0.097 4.243 4.340 -0.000 0.000 0.237 132 R C 2.516 178.543 176.300 -0.455 0.000 1.137 132 R CA 1.993 57.873 56.100 -0.367 0.000 0.951 132 R CB -0.876 29.126 30.300 -0.496 0.000 0.851 132 R HN 0.260 nan 8.270 nan 0.000 0.434 133 T N -0.065 114.188 114.554 -0.502 0.000 2.699 133 T HA -0.242 4.108 4.350 -0.000 0.000 0.268 133 T C 1.369 175.801 174.700 -0.447 0.000 1.036 133 T CA 1.808 63.635 62.100 -0.456 0.000 1.147 133 T CB -0.399 68.291 68.868 -0.297 0.000 0.862 133 T HN 0.437 nan 8.240 nan 0.000 0.446 134 Y N 1.151 121.036 120.300 -0.691 0.000 2.109 134 Y HA -0.014 4.536 4.550 -0.000 0.000 0.285 134 Y C 2.153 177.791 175.900 -0.437 0.000 1.131 134 Y CA 1.304 59.025 58.100 -0.631 0.000 1.121 134 Y CB -0.481 37.510 38.460 -0.782 0.000 0.987 134 Y HN 0.137 nan 8.280 nan 0.000 0.495 135 L N -0.328 120.844 121.223 -0.086 0.000 2.021 135 L HA -0.324 4.016 4.340 -0.000 0.000 0.215 135 L C 2.471 179.183 176.870 -0.263 0.000 1.074 135 L CA 1.555 56.323 54.840 -0.121 0.000 0.760 135 L CB -0.576 41.407 42.059 -0.127 0.000 0.889 135 L HN 0.121 nan 8.230 nan 0.000 0.433 136 R N -0.011 120.283 120.500 -0.343 0.000 2.200 136 R HA -0.092 4.248 4.340 -0.000 0.000 0.234 136 R C 2.131 178.224 176.300 -0.345 0.000 1.127 136 R CA 1.243 57.104 56.100 -0.397 0.000 0.989 136 R CB -1.040 29.010 30.300 -0.417 0.000 0.869 136 R HN 0.417 nan 8.270 nan 0.000 0.459 137 A N -0.394 122.211 122.820 -0.357 0.000 2.021 137 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 137 A C 2.039 179.436 177.584 -0.313 0.000 1.163 137 A CA 0.657 52.489 52.037 -0.342 0.000 0.676 137 A CB -0.214 18.539 19.000 -0.411 0.000 0.818 137 A HN 0.325 nan 8.150 nan 0.000 0.453 138 Q N -0.382 119.226 119.800 -0.321 0.000 2.079 138 Q HA -0.091 4.249 4.340 -0.000 0.000 0.200 138 Q C 2.228 178.126 176.000 -0.169 0.000 0.974 138 Q CA 1.305 56.968 55.803 -0.235 0.000 0.840 138 Q CB -0.288 28.355 28.738 -0.158 0.000 0.898 138 Q HN 0.623 nan 8.270 nan 0.000 0.430 139 A N 0.561 123.272 122.820 -0.182 0.000 1.908 139 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 139 A C 1.851 179.349 177.584 -0.143 0.000 1.181 139 A CA 1.231 53.175 52.037 -0.155 0.000 0.627 139 A CB -0.589 18.291 19.000 -0.200 0.000 0.818 139 A HN 0.429 nan 8.150 nan 0.000 0.445 140 L N -1.070 120.053 121.223 -0.167 0.000 2.599 140 L HA 0.211 4.551 4.340 -0.000 0.000 0.230 140 L C 1.502 178.299 176.870 -0.123 0.000 1.141 140 L CA 0.408 55.165 54.840 -0.138 0.000 0.877 140 L CB -0.383 41.586 42.059 -0.149 0.000 1.009 140 L HN 0.569 nan 8.230 nan 0.000 0.447 141 G N 0.635 109.356 108.800 -0.131 0.000 2.225 141 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.264 141 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.264 141 G C 0.097 174.927 174.900 -0.118 0.000 1.060 141 G CA 0.122 45.154 45.100 -0.112 0.000 0.833 141 G HN 0.262 nan 8.290 nan 0.000 0.498 142 M N 0.024 119.531 119.600 -0.154 0.000 2.573 142 M HA 0.577 5.057 4.480 -0.000 0.000 0.309 142 M C 1.329 177.539 176.300 -0.150 0.000 1.202 142 M CA -0.151 55.059 55.300 -0.150 0.000 0.975 142 M CB 1.184 33.681 32.600 -0.171 0.000 1.600 142 M HN 0.232 nan 8.290 nan 0.000 0.479 143 G N 0.703 109.452 108.800 -0.086 0.000 2.684 143 G HA2 0.138 4.098 3.960 -0.000 0.000 0.255 143 G HA3 0.138 4.098 3.960 -0.000 0.000 0.255 143 G C 0.232 175.092 174.900 -0.066 0.000 1.219 143 G CA -0.490 44.626 45.100 0.027 0.000 0.901 143 G HN 0.648 nan 8.290 nan 0.000 0.548 144 K N -0.336 119.970 120.400 -0.157 0.000 2.493 144 K HA 0.115 4.435 4.320 -0.000 0.000 0.207 144 K C 1.377 177.628 176.600 -0.581 0.000 1.033 144 K CA -0.189 55.757 56.287 -0.569 0.000 1.161 144 K CB -0.022 31.905 32.500 -0.956 0.000 0.873 144 K HN 0.573 nan 8.250 nan 0.000 0.491 145 H N 0.844 119.749 119.070 -0.275 0.000 2.289 145 H HA -0.129 4.427 4.556 -0.000 0.000 0.294 145 H C 1.712 176.960 175.328 -0.134 0.000 1.095 145 H CA 2.381 58.355 56.048 -0.123 0.000 1.256 145 H CB -0.464 29.245 29.762 -0.088 0.000 1.359 145 H HN 0.093 nan 8.280 nan 0.000 0.487 146 T N 0.009 114.527 114.554 -0.059 0.000 2.833 146 T HA -0.110 4.240 4.350 -0.000 0.000 0.269 146 T C 2.240 176.924 174.700 -0.025 0.000 1.054 146 T CA 1.100 63.166 62.100 -0.056 0.000 1.135 146 T CB -0.386 68.411 68.868 -0.117 0.000 0.869 146 T HN 0.528 nan 8.240 nan 0.000 0.466 147 A N 0.315 123.012 122.820 -0.206 0.000 1.898 147 A HA 0.030 4.350 4.320 -0.000 0.000 0.214 147 A C 2.085 179.830 177.584 0.268 0.000 1.183 147 A CA 0.718 52.681 52.037 -0.124 0.000 0.622 147 A CB -0.982 17.680 19.000 -0.565 0.000 0.824 147 A HN 0.703 nan 8.150 nan 0.000 0.444 148 W N -0.162 121.247 121.300 0.182 0.000 2.355 148 W HA -0.115 4.545 4.660 -0.000 0.000 0.309 148 W C 2.734 179.286 176.519 0.055 0.000 1.206 148 W CA 0.677 58.082 57.345 0.099 0.000 1.284 148 W CB -0.094 29.325 29.460 -0.070 0.000 1.145 148 W HN 0.395 nan 8.180 nan 0.000 0.502 149 A N -0.103 122.863 122.820 0.243 0.000 1.933 149 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 149 A C 1.708 179.447 177.584 0.259 0.000 1.175 149 A CA 1.317 53.441 52.037 0.146 0.000 0.628 149 A CB -1.067 17.971 19.000 0.063 0.000 0.814 149 A HN 0.370 nan 8.150 nan 0.000 0.444 150 F N -0.021 120.019 119.950 0.150 0.000 2.407 150 F HA -0.001 4.526 4.527 0.000 0.000 0.299 150 F C 1.603 177.492 175.800 0.149 0.000 1.097 150 F CA 0.516 58.606 58.000 0.150 0.000 1.422 150 F CB -0.445 38.671 39.000 0.193 0.000 1.067 150 F HN 0.175 nan 8.300 nan 0.000 0.539 151 L N -0.105 121.230 121.223 0.187 0.000 2.017 151 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 151 L C 2.780 179.653 176.870 0.005 0.000 1.073 151 L CA 2.153 56.963 54.840 -0.050 0.000 0.745 151 L CB -1.442 40.708 42.059 0.152 0.000 0.894 151 L HN 0.233 nan 8.230 nan 0.000 0.432 152 S N -1.082 114.677 115.700 0.098 0.000 2.374 152 S HA -0.262 4.208 4.470 -0.000 0.000 0.227 152 S C 2.124 176.842 174.600 0.197 0.000 1.037 152 S CA 1.508 59.793 58.200 0.142 0.000 1.024 152 S CB -0.415 62.846 63.200 0.102 0.000 0.861 152 S HN 0.628 nan 8.310 nan 0.000 0.456 153 A N 1.058 123.971 122.820 0.155 0.000 1.873 153 A HA 0.006 4.326 4.320 -0.000 0.000 0.215 153 A C 2.130 179.762 177.584 0.080 0.000 1.186 153 A CA 1.521 53.645 52.037 0.146 0.000 0.616 153 A CB -0.899 18.224 19.000 0.206 0.000 0.823 153 A HN 0.583 nan 8.150 nan 0.000 0.442 154 I N -1.188 119.310 120.570 -0.119 0.000 2.185 154 I HA -0.346 3.824 4.170 -0.000 0.000 0.246 154 I C 2.427 178.637 176.117 0.156 0.000 1.088 154 I CA 1.858 63.036 61.300 -0.203 0.000 1.347 154 I CB -0.254 37.307 38.000 -0.731 0.000 1.041 154 I HN 0.748 nan 8.210 nan 0.000 0.415 155 W N 1.168 122.452 121.300 -0.027 0.000 2.292 155 W HA -0.378 4.281 4.660 -0.000 0.000 0.330 155 W C 2.448 179.016 176.519 0.081 0.000 1.264 155 W CA 1.667 59.036 57.345 0.040 0.000 1.235 155 W CB -0.653 28.821 29.460 0.025 0.000 1.164 155 W HN 0.158 nan 8.180 nan 0.000 0.461 156 L N 1.117 122.307 121.223 -0.055 0.000 1.991 156 L HA -0.266 4.074 4.340 -0.000 0.000 0.221 156 L C 2.348 179.179 176.870 -0.065 0.000 1.079 156 L CA 3.155 57.908 54.840 -0.146 0.000 0.778 156 L CB -1.839 40.238 42.059 0.031 0.000 0.893 156 L HN 0.379 nan 8.230 nan 0.000 0.437 157 W N -0.403 120.817 121.300 -0.134 0.000 2.333 157 W HA -0.289 4.371 4.660 -0.000 0.000 0.316 157 W C 2.398 178.870 176.519 -0.079 0.000 1.215 157 W CA 2.137 59.413 57.345 -0.115 0.000 1.278 157 W CB -0.366 29.004 29.460 -0.150 0.000 1.154 157 W HN 0.131 nan 8.180 nan 0.000 0.486 158 M N 0.241 119.727 119.600 -0.191 0.000 2.149 158 M HA -0.182 4.298 4.480 -0.000 0.000 0.261 158 M C 1.873 178.045 176.300 -0.213 0.000 1.064 158 M CA 1.434 56.533 55.300 -0.334 0.000 1.102 158 M CB -1.572 31.044 32.600 0.028 0.000 1.369 158 M HN 0.027 nan 8.290 nan 0.000 0.408 159 V N 0.032 119.753 119.914 -0.322 0.000 2.379 159 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 159 V C 2.431 178.420 176.094 -0.176 0.000 1.044 159 V CA 1.213 63.304 62.300 -0.348 0.000 1.036 159 V CB -0.541 30.889 31.823 -0.654 0.000 0.664 159 V HN 0.393 nan 8.190 nan 0.000 0.453 160 L N 0.106 121.222 121.223 -0.178 0.000 2.201 160 L HA -0.038 4.302 4.340 -0.000 0.000 0.212 160 L C 2.058 178.881 176.870 -0.079 0.000 1.105 160 L CA 1.585 56.356 54.840 -0.115 0.000 0.775 160 L CB -0.433 41.535 42.059 -0.153 0.000 0.913 160 L HN 0.506 nan 8.230 nan 0.000 0.440 161 G N -3.140 105.602 108.800 -0.098 0.000 3.146 161 G HA2 0.009 3.969 3.960 -0.000 0.000 0.238 161 G HA3 0.009 3.969 3.960 -0.000 0.000 0.238 161 G C 0.614 175.654 174.900 0.235 0.000 1.022 161 G CA -0.119 45.008 45.100 0.044 0.000 0.880 161 G HN 0.184 nan 8.290 nan 0.000 0.533 162 F N 0.079 120.023 119.950 -0.009 0.000 2.017 162 F HA 0.400 4.927 4.527 -0.000 0.000 0.245 162 F C 2.091 177.953 175.800 0.103 0.000 1.060 162 F CA 0.104 58.171 58.000 0.111 0.000 1.231 162 F CB -0.102 38.914 39.000 0.026 0.000 1.527 162 F HN -0.055 nan 8.300 nan 0.000 0.636 163 I N 0.918 121.593 120.570 0.175 0.000 2.099 163 I HA -0.280 3.890 4.170 -0.000 0.000 0.239 163 I C 2.564 178.659 176.117 -0.036 0.000 1.066 163 I CA 1.855 63.191 61.300 0.059 0.000 1.324 163 I CB -0.559 37.493 38.000 0.087 0.000 1.037 163 I HN 0.141 nan 8.210 nan 0.000 0.401 164 R N 0.885 121.375 120.500 -0.016 0.000 2.080 164 R HA -0.170 4.170 4.340 -0.000 0.000 0.236 164 R C -0.411 175.879 176.300 -0.017 0.000 1.137 164 R CA 2.101 58.206 56.100 0.008 0.000 0.943 164 R CB -1.269 29.072 30.300 0.068 0.000 0.846 164 R HN 0.207 nan 8.270 nan 0.000 0.431 165 P HA -0.186 nan 4.420 nan 0.000 0.216 165 P C 1.082 178.195 177.300 -0.311 0.000 1.157 165 P CA 1.240 64.279 63.100 -0.103 0.000 0.880 165 P CB -0.060 31.672 31.700 0.052 0.000 0.791 166 I N -1.306 119.052 120.570 -0.354 0.000 2.163 166 I HA -0.193 3.977 4.170 -0.000 0.000 0.243 166 I C 2.208 178.170 176.117 -0.258 0.000 1.085 166 I CA 1.422 62.473 61.300 -0.415 0.000 1.347 166 I CB -1.331 36.453 38.000 -0.361 0.000 1.044 166 I HN -0.102 nan 8.210 nan 0.000 0.408 167 L N -0.938 120.192 121.223 -0.155 0.000 2.465 167 L HA -0.091 4.249 4.340 -0.000 0.000 0.224 167 L C 2.031 178.846 176.870 -0.091 0.000 1.145 167 L CA 0.493 55.276 54.840 -0.094 0.000 0.834 167 L CB -0.386 41.649 42.059 -0.039 0.000 0.944 167 L HN 0.251 nan 8.230 nan 0.000 0.451 168 M N -1.112 118.419 119.600 -0.115 0.000 2.492 168 M HA 0.198 4.678 4.480 -0.000 0.000 0.255 168 M C 1.594 177.814 176.300 -0.134 0.000 1.139 168 M CA 0.979 56.224 55.300 -0.092 0.000 1.096 168 M CB 0.046 32.613 32.600 -0.055 0.000 1.360 168 M HN 0.358 nan 8.290 nan 0.000 0.480 169 G N 1.494 110.169 108.800 -0.208 0.000 2.179 169 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.220 169 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.220 169 G C 0.129 174.837 174.900 -0.320 0.000 0.990 169 G CA 0.371 45.328 45.100 -0.238 0.000 0.646 169 G HN 0.666 nan 8.290 nan 0.000 0.517 170 S N -1.975 113.503 115.700 -0.369 0.000 2.556 170 S HA 0.438 4.908 4.470 -0.000 0.000 0.280 170 S C 0.319 174.700 174.600 -0.365 0.000 1.141 170 S CA 0.006 57.949 58.200 -0.428 0.000 0.883 170 S CB 0.120 63.189 63.200 -0.219 0.000 1.103 170 S HN 0.567 nan 8.310 nan 0.000 0.453 171 W N 1.884 123.085 121.300 -0.166 0.000 2.480 171 W HA -0.076 4.584 4.660 -0.000 0.000 0.257 171 W C 2.362 178.675 176.519 -0.343 0.000 1.235 171 W CA 0.663 57.850 57.345 -0.264 0.000 1.218 171 W CB -0.230 29.046 29.460 -0.307 0.000 1.131 171 W HN 0.908 nan 8.180 nan 0.000 0.606 172 S N -0.441 115.231 115.700 -0.047 0.000 2.515 172 S HA -0.101 4.368 4.470 -0.000 0.000 0.231 172 S C 1.404 176.007 174.600 0.005 0.000 0.987 172 S CA 0.743 58.902 58.200 -0.068 0.000 0.936 172 S CB -0.158 63.024 63.200 -0.030 0.000 0.766 172 S HN 0.219 nan 8.310 nan 0.000 0.528 173 E N 1.679 121.905 120.200 0.044 0.000 2.358 173 E HA 0.289 4.639 4.350 -0.000 0.000 0.195 173 E C 1.132 177.927 176.600 0.326 0.000 1.010 173 E CA 0.458 56.968 56.400 0.184 0.000 0.856 173 E CB -0.269 29.511 29.700 0.134 0.000 0.795 173 E HN 0.701 nan 8.360 nan 0.000 0.504 174 A N 0.815 123.702 122.820 0.112 0.000 2.292 174 A HA 0.300 4.620 4.320 -0.000 0.000 0.265 174 A C 0.358 177.829 177.584 -0.189 0.000 1.133 174 A CA -0.415 51.641 52.037 0.033 0.000 0.807 174 A CB 0.527 19.566 19.000 0.065 0.000 1.102 174 A HN -0.041 nan 8.150 nan 0.000 0.502 175 V N 2.184 121.855 119.914 -0.404 0.000 2.509 175 V HA 0.352 4.472 4.120 -0.000 0.000 0.284 175 V C -1.913 173.964 176.094 -0.361 0.000 1.047 175 V CA -1.126 60.699 62.300 -0.791 0.000 0.952 175 V CB 1.072 32.363 31.823 -0.887 0.000 0.988 175 V HN 0.848 nan 8.190 nan 0.000 0.469 176 P HA 0.253 nan 4.420 nan 0.000 0.279 176 P C -1.487 175.779 177.300 -0.056 0.000 1.252 176 P CA -0.472 62.588 63.100 -0.065 0.000 0.811 176 P CB 0.560 32.303 31.700 0.071 0.000 1.035 177 Y N 0.579 121.069 120.300 0.317 0.000 2.535 177 Y HA 0.584 5.134 4.550 -0.000 0.000 0.349 177 Y C 1.324 177.404 175.900 0.300 0.000 0.992 177 Y CA 0.418 58.657 58.100 0.232 0.000 1.248 177 Y CB 0.396 38.941 38.460 0.141 0.000 1.124 177 Y HN 0.556 nan 8.280 nan 0.000 0.520 178 G N 1.835 110.843 108.800 0.348 0.000 2.655 178 G HA2 0.363 4.323 3.960 -0.000 0.000 0.296 178 G HA3 0.363 4.323 3.960 -0.000 0.000 0.296 178 G C -0.252 174.776 174.900 0.213 0.000 1.485 178 G CA -0.762 44.545 45.100 0.344 0.000 0.869 178 G HN 0.422 nan 8.290 nan 0.000 0.540 179 I N 0.919 121.524 120.570 0.059 0.000 2.072 179 I HA -0.005 4.165 4.170 -0.000 0.000 0.235 179 I C 2.402 178.584 176.117 0.108 0.000 1.058 179 I CA 1.414 62.666 61.300 -0.080 0.000 1.320 179 I CB -0.302 37.329 38.000 -0.615 0.000 1.047 179 I HN 0.510 nan 8.210 nan 0.000 0.397 180 F N 0.836 120.708 119.950 -0.129 0.000 2.293 180 F HA -0.159 4.368 4.527 -0.000 0.000 0.300 180 F C 2.864 178.652 175.800 -0.019 0.000 1.086 180 F CA 1.208 59.123 58.000 -0.141 0.000 1.375 180 F CB -1.664 37.151 39.000 -0.308 0.000 1.045 180 F HN 0.216 nan 8.300 nan 0.000 0.516 181 S N -0.512 115.335 115.700 0.245 0.000 2.436 181 S HA -0.180 4.290 4.470 -0.000 0.000 0.228 181 S C 2.029 176.788 174.600 0.266 0.000 1.014 181 S CA 1.102 59.440 58.200 0.229 0.000 0.950 181 S CB -1.043 62.290 63.200 0.222 0.000 0.784 181 S HN 0.628 nan 8.310 nan 0.000 0.504 182 H N 2.018 121.180 119.070 0.152 0.000 2.470 182 H HA 0.190 4.746 4.556 -0.000 0.000 0.289 182 H C 1.901 177.352 175.328 0.206 0.000 1.033 182 H CA 0.908 57.042 56.048 0.144 0.000 1.331 182 H CB -0.676 29.122 29.762 0.059 0.000 1.414 182 H HN 0.393 nan 8.280 nan 0.000 0.545 183 L N 0.938 122.000 121.223 -0.267 0.000 1.989 183 L HA -0.195 4.145 4.340 -0.000 0.000 0.211 183 L C 2.454 179.320 176.870 -0.007 0.000 1.071 183 L CA 1.715 56.432 54.840 -0.205 0.000 0.749 183 L CB -0.465 41.529 42.059 -0.109 0.000 0.890 183 L HN 0.190 nan 8.230 nan 0.000 0.431 184 D N -0.766 119.667 120.400 0.055 0.000 2.104 184 D HA -0.261 4.379 4.640 -0.000 0.000 0.194 184 D C 1.685 178.075 176.300 0.150 0.000 0.994 184 D CA 1.412 55.457 54.000 0.076 0.000 0.830 184 D CB -0.391 40.459 40.800 0.083 0.000 0.959 184 D HN 0.433 nan 8.370 nan 0.000 0.452 185 W N 1.769 123.088 121.300 0.032 0.000 2.317 185 W HA -0.290 4.370 4.660 -0.000 0.000 0.318 185 W C 2.363 178.930 176.519 0.079 0.000 1.227 185 W CA 2.679 60.066 57.345 0.070 0.000 1.269 185 W CB -0.545 28.966 29.460 0.086 0.000 1.155 185 W HN -0.118 nan 8.180 nan 0.000 0.484 186 T N 0.443 115.245 114.554 0.412 0.000 2.635 186 T HA -0.378 3.972 4.350 -0.000 0.000 0.267 186 T C 1.381 176.099 174.700 0.031 0.000 1.040 186 T CA 2.001 64.232 62.100 0.218 0.000 1.156 186 T CB -0.894 68.071 68.868 0.162 0.000 0.863 186 T HN 0.347 nan 8.240 nan 0.000 0.430 187 N N 1.471 120.177 118.700 0.011 0.000 2.069 187 N HA -0.133 4.607 4.740 -0.000 0.000 0.191 187 N C 1.805 177.283 175.510 -0.054 0.000 1.031 187 N CA 1.563 54.592 53.050 -0.035 0.000 0.852 187 N CB -0.461 38.003 38.487 -0.039 0.000 1.018 187 N HN 0.344 nan 8.380 nan 0.000 0.423 188 N N -0.840 117.821 118.700 -0.065 0.000 2.120 188 N HA -0.203 4.537 4.740 -0.000 0.000 0.188 188 N C 1.641 177.065 175.510 -0.143 0.000 1.024 188 N CA 0.985 53.970 53.050 -0.108 0.000 0.852 188 N CB -0.330 38.084 38.487 -0.121 0.000 1.003 188 N HN 0.317 nan 8.380 nan 0.000 0.424 189 F N 1.479 121.203 119.950 -0.377 0.000 2.161 189 F HA -0.170 4.357 4.527 -0.000 0.000 0.300 189 F C 2.902 178.671 175.800 -0.053 0.000 1.089 189 F CA 1.714 59.508 58.000 -0.343 0.000 1.282 189 F CB -0.556 38.022 39.000 -0.703 0.000 1.010 189 F HN 0.008 nan 8.300 nan 0.000 0.485 190 S N 0.065 115.816 115.700 0.086 0.000 2.387 190 S HA -0.124 4.346 4.470 -0.000 0.000 0.226 190 S C 2.120 176.711 174.600 -0.015 0.000 1.026 190 S CA 1.233 59.456 58.200 0.037 0.000 0.972 190 S CB -0.549 62.602 63.200 -0.080 0.000 0.814 190 S HN 0.444 nan 8.310 nan 0.000 0.477 191 L N 1.096 122.277 121.223 -0.069 0.000 2.046 191 L HA -0.008 4.332 4.340 -0.000 0.000 0.208 191 L C 2.334 179.130 176.870 -0.123 0.000 1.077 191 L CA 0.952 55.741 54.840 -0.085 0.000 0.747 191 L CB -0.465 41.538 42.059 -0.094 0.000 0.896 191 L HN 0.239 nan 8.230 nan 0.000 0.432 192 V N -1.263 118.525 119.914 -0.211 0.000 3.510 192 V HA -0.136 3.984 4.120 -0.000 0.000 0.270 192 V C 1.353 177.141 176.094 -0.510 0.000 1.201 192 V CA 1.029 63.113 62.300 -0.360 0.000 1.166 192 V CB -0.804 30.731 31.823 -0.481 0.000 0.825 192 V HN 0.461 nan 8.190 nan 0.000 0.484 193 H N -0.698 118.265 119.070 -0.178 0.000 2.785 193 H HA 0.316 4.872 4.556 -0.000 0.000 0.268 193 H C 1.649 177.016 175.328 0.065 0.000 1.153 193 H CA 0.731 56.715 56.048 -0.107 0.000 1.111 193 H CB 1.051 30.746 29.762 -0.113 0.000 1.633 193 H HN 0.398 nan 8.280 nan 0.000 0.576 194 G N 2.378 111.244 108.800 0.111 0.000 2.132 194 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.228 194 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.228 194 G C -0.211 174.873 174.900 0.306 0.000 1.000 194 G CA 0.231 45.432 45.100 0.167 0.000 0.693 194 G HN 0.544 nan 8.290 nan 0.000 0.515 195 N N -2.095 116.741 118.700 0.227 0.000 2.709 195 N HA -0.126 4.614 4.740 -0.000 0.000 0.271 195 N C 0.833 176.464 175.510 0.200 0.000 1.552 195 N CA 0.831 53.985 53.050 0.173 0.000 1.241 195 N CB -1.166 37.480 38.487 0.264 0.000 0.840 195 N HN 0.594 nan 8.380 nan 0.000 0.480 196 L N 3.603 124.797 121.223 -0.048 0.000 2.261 196 L HA 0.035 4.375 4.340 -0.000 0.000 0.216 196 L C 1.861 178.632 176.870 -0.165 0.000 1.114 196 L CA 1.263 55.969 54.840 -0.224 0.000 0.777 196 L CB -0.624 41.127 42.059 -0.514 0.000 0.910 196 L HN 0.621 nan 8.230 nan 0.000 0.440 197 F N -1.708 118.114 119.950 -0.214 0.000 2.449 197 F HA -0.208 4.319 4.527 -0.000 0.000 0.299 197 F C 1.666 177.317 175.800 -0.249 0.000 1.092 197 F CA 0.577 58.457 58.000 -0.201 0.000 1.446 197 F CB -1.089 37.735 39.000 -0.294 0.000 1.084 197 F HN 0.196 nan 8.300 nan 0.000 0.567 198 Y N -1.355 119.108 120.300 0.271 0.000 2.457 198 Y HA 0.105 4.655 4.550 -0.000 0.000 0.263 198 Y C 0.889 176.898 175.900 0.182 0.000 1.164 198 Y CA -0.487 57.792 58.100 0.298 0.000 1.274 198 Y CB -0.576 38.144 38.460 0.433 0.000 1.097 198 Y HN -0.061 nan 8.280 nan 0.000 0.523 199 N N 2.873 121.518 118.700 -0.091 0.000 2.401 199 N HA 0.043 4.783 4.740 -0.000 0.000 0.255 199 N C -1.783 173.520 175.510 -0.344 0.000 1.110 199 N CA -1.513 51.094 53.050 -0.738 0.000 0.949 199 N CB 1.035 38.721 38.487 -1.335 0.000 1.110 199 N HN -0.095 nan 8.380 nan 0.000 0.490 200 P HA -0.161 nan 4.420 nan 0.000 0.216 200 P C 0.740 177.823 177.300 -0.362 0.000 1.150 200 P CA 1.295 64.232 63.100 -0.273 0.000 0.837 200 P CB 0.010 31.547 31.700 -0.273 0.000 0.786 201 F N -0.477 119.362 119.950 -0.184 0.000 2.134 201 F HA -0.166 4.361 4.527 -0.000 0.000 0.299 201 F C 2.882 178.627 175.800 -0.093 0.000 1.097 201 F CA 1.319 59.259 58.000 -0.100 0.000 1.264 201 F CB -1.837 37.117 39.000 -0.077 0.000 1.001 201 F HN 0.093 nan 8.300 nan 0.000 0.479 202 H N -0.049 118.991 119.070 -0.050 0.000 2.394 202 H HA -0.162 4.394 4.556 -0.000 0.000 0.297 202 H C 2.213 177.500 175.328 -0.069 0.000 1.113 202 H CA 1.593 57.604 56.048 -0.062 0.000 1.277 202 H CB -0.347 29.355 29.762 -0.101 0.000 1.370 202 H HN 0.363 nan 8.280 nan 0.000 0.506 203 G N -0.331 108.387 108.800 -0.136 0.000 2.887 203 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.211 203 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.211 203 G C 1.570 176.301 174.900 -0.282 0.000 1.152 203 G CA -0.089 44.882 45.100 -0.215 0.000 0.769 203 G HN 0.236 nan 8.290 nan 0.000 0.541 204 L N 1.009 122.085 121.223 -0.245 0.000 2.102 204 L HA 0.179 4.519 4.340 -0.000 0.000 0.202 204 L C 2.888 179.503 176.870 -0.425 0.000 1.076 204 L CA 1.333 55.956 54.840 -0.361 0.000 0.761 204 L CB -0.749 41.209 42.059 -0.168 0.000 0.921 204 L HN 0.137 nan 8.230 nan 0.000 0.444 205 S N 0.081 115.699 115.700 -0.137 0.000 2.372 205 S HA -0.245 4.225 4.470 -0.000 0.000 0.227 205 S C 1.933 176.390 174.600 -0.238 0.000 1.044 205 S CA 1.819 59.984 58.200 -0.058 0.000 1.050 205 S CB -0.447 62.732 63.200 -0.034 0.000 0.901 205 S HN 0.288 nan 8.310 nan 0.000 0.447 206 I N 2.048 122.364 120.570 -0.423 0.000 2.194 206 I HA -0.226 3.944 4.170 -0.000 0.000 0.246 206 I C 2.489 178.228 176.117 -0.629 0.000 1.093 206 I CA 1.151 62.087 61.300 -0.606 0.000 1.355 206 I CB -0.972 36.603 38.000 -0.709 0.000 1.046 206 I HN 0.268 nan 8.210 nan 0.000 0.413 207 A N -0.129 122.386 122.820 -0.508 0.000 1.902 207 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 207 A C 2.124 179.577 177.584 -0.219 0.000 1.181 207 A CA 1.602 53.398 52.037 -0.402 0.000 0.623 207 A CB -0.996 17.675 19.000 -0.549 0.000 0.818 207 A HN 0.340 nan 8.150 nan 0.000 0.443 208 F N -0.785 119.153 119.950 -0.020 0.000 2.206 208 F HA -0.015 4.512 4.527 -0.000 0.000 0.298 208 F C 1.983 177.818 175.800 0.058 0.000 1.090 208 F CA 0.792 58.820 58.000 0.047 0.000 1.323 208 F CB -0.896 38.145 39.000 0.069 0.000 1.028 208 F HN 0.230 nan 8.300 nan 0.000 0.492 209 L N -1.174 120.140 121.223 0.151 0.000 2.056 209 L HA -0.191 4.149 4.340 -0.000 0.000 0.207 209 L C 2.249 179.257 176.870 0.231 0.000 1.078 209 L CA 1.688 56.613 54.840 0.142 0.000 0.749 209 L CB -0.847 41.238 42.059 0.044 0.000 0.901 209 L HN 0.015 nan 8.230 nan 0.000 0.433 210 Y N 0.101 120.445 120.300 0.073 0.000 2.242 210 Y HA -0.013 4.537 4.550 -0.000 0.000 0.291 210 Y C 2.529 178.481 175.900 0.087 0.000 1.137 210 Y CA 0.596 58.732 58.100 0.061 0.000 1.181 210 Y CB -1.555 36.919 38.460 0.022 0.000 0.989 210 Y HN 0.253 nan 8.280 nan 0.000 0.527 211 G N -0.986 107.978 108.800 0.273 0.000 2.440 211 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.218 211 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.218 211 G C 1.949 176.969 174.900 0.200 0.000 1.154 211 G CA 1.298 46.536 45.100 0.230 0.000 0.767 211 G HN 0.387 nan 8.290 nan 0.000 0.552 212 S N 0.844 116.674 115.700 0.217 0.000 2.402 212 S HA 0.100 4.570 4.470 -0.000 0.000 0.229 212 S C 2.704 177.433 174.600 0.215 0.000 1.021 212 S CA 1.000 59.316 58.200 0.194 0.000 0.974 212 S CB -0.190 63.126 63.200 0.193 0.000 0.800 212 S HN 0.579 nan 8.310 nan 0.000 0.484 213 A N 1.494 124.440 122.820 0.210 0.000 1.929 213 A HA 0.069 4.389 4.320 -0.000 0.000 0.216 213 A C 2.124 179.808 177.584 0.167 0.000 1.176 213 A CA 1.141 53.293 52.037 0.192 0.000 0.628 213 A CB -0.604 18.488 19.000 0.154 0.000 0.816 213 A HN 0.470 nan 8.150 nan 0.000 0.444 214 L N -0.965 120.342 121.223 0.139 0.000 2.056 214 L HA -0.075 4.265 4.340 -0.000 0.000 0.207 214 L C 2.167 179.089 176.870 0.087 0.000 1.078 214 L CA 1.883 56.781 54.840 0.097 0.000 0.749 214 L CB -0.414 41.689 42.059 0.073 0.000 0.901 214 L HN 0.250 nan 8.230 nan 0.000 0.433 215 L N -1.181 120.093 121.223 0.084 0.000 2.046 215 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 215 L C 2.252 179.216 176.870 0.157 0.000 1.077 215 L CA 1.703 56.562 54.840 0.032 0.000 0.747 215 L CB -0.918 41.138 42.059 -0.006 0.000 0.896 215 L HN 0.329 nan 8.230 nan 0.000 0.432 216 F N -0.010 119.977 119.950 0.061 0.000 2.259 216 F HA 0.003 4.530 4.527 0.000 0.000 0.298 216 F C 2.371 178.213 175.800 0.071 0.000 1.088 216 F CA 0.617 58.670 58.000 0.089 0.000 1.358 216 F CB -0.928 38.125 39.000 0.089 0.000 1.040 216 F HN 0.182 nan 8.300 nan 0.000 0.505 217 A N -0.255 122.714 122.820 0.248 0.000 1.902 217 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 217 A C 2.353 180.027 177.584 0.149 0.000 1.181 217 A CA 1.674 53.788 52.037 0.129 0.000 0.623 217 A CB -0.662 18.395 19.000 0.096 0.000 0.818 217 A HN 0.368 nan 8.150 nan 0.000 0.443 218 M N -1.945 117.751 119.600 0.159 0.000 2.067 218 M HA -0.148 4.332 4.480 -0.000 0.000 0.260 218 M C 2.325 178.756 176.300 0.219 0.000 1.069 218 M CA 2.019 57.418 55.300 0.165 0.000 1.117 218 M CB -0.405 32.150 32.600 -0.076 0.000 1.334 218 M HN 0.693 nan 8.290 nan 0.000 0.407 219 H N -0.133 118.984 119.070 0.078 0.000 2.293 219 H HA -0.048 4.508 4.556 0.000 0.000 0.300 219 H C 1.925 177.332 175.328 0.132 0.000 1.082 219 H CA 2.162 58.255 56.048 0.075 0.000 1.308 219 H CB -0.813 28.977 29.762 0.048 0.000 1.375 219 H HN 0.323 nan 8.280 nan 0.000 0.495 220 G N -0.009 108.844 108.800 0.088 0.000 2.446 220 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 220 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 220 G C 1.942 176.789 174.900 -0.087 0.000 1.168 220 G CA 1.373 46.430 45.100 -0.072 0.000 0.771 220 G HN 0.637 nan 8.290 nan 0.000 0.551 221 A N -0.002 122.803 122.820 -0.024 0.000 1.972 221 A HA 0.021 4.341 4.320 -0.000 0.000 0.219 221 A C 2.514 180.053 177.584 -0.075 0.000 1.169 221 A CA 2.385 54.388 52.037 -0.057 0.000 0.635 221 A CB -0.762 18.224 19.000 -0.023 0.000 0.810 221 A HN 0.316 nan 8.150 nan 0.000 0.446 222 T N 0.522 115.076 114.554 -0.001 0.000 2.701 222 T HA -0.089 4.261 4.350 -0.000 0.000 0.263 222 T C 1.796 176.473 174.700 -0.038 0.000 1.040 222 T CA 1.398 63.499 62.100 0.002 0.000 1.147 222 T CB -0.281 68.728 68.868 0.235 0.000 0.865 222 T HN 0.298 nan 8.240 nan 0.000 0.426 223 I N 1.534 122.063 120.570 -0.068 0.000 2.208 223 I HA -0.113 4.057 4.170 -0.000 0.000 0.245 223 I C 2.340 178.404 176.117 -0.089 0.000 1.097 223 I CA 1.257 62.509 61.300 -0.080 0.000 1.363 223 I CB -1.446 36.460 38.000 -0.156 0.000 1.051 223 I HN 0.282 nan 8.210 nan 0.000 0.413 224 L N 0.502 121.651 121.223 -0.124 0.000 2.083 224 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 224 L C 2.654 179.444 176.870 -0.132 0.000 1.083 224 L CA 1.315 56.071 54.840 -0.140 0.000 0.752 224 L CB -0.784 41.172 42.059 -0.172 0.000 0.899 224 L HN 0.188 nan 8.230 nan 0.000 0.433 225 A N -0.069 122.674 122.820 -0.128 0.000 2.121 225 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 225 A C 1.793 179.335 177.584 -0.071 0.000 1.154 225 A CA 1.570 53.528 52.037 -0.132 0.000 0.679 225 A CB -0.414 18.469 19.000 -0.195 0.000 0.795 225 A HN 0.378 nan 8.150 nan 0.000 0.458 226 V N -2.784 117.120 119.914 -0.017 0.000 3.159 226 V HA 0.189 4.309 4.120 -0.000 0.000 0.333 226 V C 1.317 177.441 176.094 0.049 0.000 1.424 226 V CA 0.745 63.122 62.300 0.128 0.000 1.125 226 V CB -0.560 31.402 31.823 0.232 0.000 1.075 226 V HN 0.512 nan 8.190 nan 0.000 0.482 227 S N 1.787 117.450 115.700 -0.062 0.000 2.603 227 S HA -0.096 4.374 4.470 -0.000 0.000 0.229 227 S C 1.735 176.249 174.600 -0.143 0.000 0.972 227 S CA 0.798 58.958 58.200 -0.067 0.000 0.935 227 S CB -0.632 62.525 63.200 -0.073 0.000 0.769 227 S HN 0.877 nan 8.310 nan 0.000 0.536 228 R N -0.113 120.182 120.500 -0.341 0.000 2.319 228 R HA 0.234 4.574 4.340 -0.000 0.000 0.204 228 R C -0.172 175.759 176.300 -0.616 0.000 0.954 228 R CA 0.283 56.093 56.100 -0.483 0.000 1.066 228 R CB -0.629 29.284 30.300 -0.645 0.000 0.991 228 R HN 0.571 nan 8.270 nan 0.000 0.486 229 F N -0.470 119.480 119.950 -0.001 0.000 2.859 229 F HA 0.408 4.935 4.527 0.000 0.000 0.324 229 F C 1.040 176.841 175.800 0.001 0.000 1.158 229 F CA -0.241 57.759 58.000 0.000 0.000 1.147 229 F CB 1.662 40.660 39.000 -0.004 0.000 1.137 229 F HN 0.161 nan 8.300 nan 0.000 0.516 230 G N 0.559 109.418 108.800 0.099 0.000 2.157 230 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.248 230 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.248 230 G C 1.415 176.359 174.900 0.072 0.000 0.979 230 G CA 0.165 45.310 45.100 0.074 0.000 0.650 230 G HN 0.665 nan 8.290 nan 0.000 0.529 231 G N 1.582 110.436 108.800 0.091 0.000 2.547 231 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.221 231 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.221 231 G C 1.510 176.442 174.900 0.054 0.000 1.140 231 G CA 1.813 46.962 45.100 0.082 0.000 0.760 231 G HN 1.035 nan 8.290 nan 0.000 0.583 232 E N 0.941 121.155 120.200 0.022 0.000 2.463 232 E HA -0.129 4.221 4.350 -0.000 0.000 0.201 232 E C 1.176 177.789 176.600 0.021 0.000 1.045 232 E CA 0.332 56.739 56.400 0.012 0.000 0.872 232 E CB -0.278 29.412 29.700 -0.016 0.000 0.797 232 E HN 0.383 nan 8.360 nan 0.000 0.538 233 R N 1.439 121.956 120.500 0.027 0.000 4.138 233 R HA 0.128 4.468 4.340 -0.000 0.000 0.206 233 R C 0.811 177.125 176.300 0.023 0.000 1.667 233 R CA -0.056 56.055 56.100 0.018 0.000 1.481 233 R CB 0.100 30.411 30.300 0.019 0.000 1.388 233 R HN 0.266 nan 8.270 nan 0.000 0.776 234 E N 0.690 120.903 120.200 0.022 0.000 2.106 234 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 234 E C 1.386 177.987 176.600 0.002 0.000 0.984 234 E CA 0.990 57.411 56.400 0.035 0.000 0.806 234 E CB 0.083 29.819 29.700 0.060 0.000 0.750 234 E HN 0.464 nan 8.360 nan 0.000 0.458 235 L N 0.677 121.881 121.223 -0.032 0.000 2.131 235 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 235 L C 2.439 179.300 176.870 -0.015 0.000 1.092 235 L CA 1.061 55.878 54.840 -0.038 0.000 0.759 235 L CB -0.178 41.848 42.059 -0.055 0.000 0.903 235 L HN 0.117 nan 8.230 nan 0.000 0.435 236 E N -0.447 119.751 120.200 -0.005 0.000 2.230 236 E HA -0.131 4.218 4.350 -0.000 0.000 0.192 236 E C 2.175 178.783 176.600 0.013 0.000 0.987 236 E CA 0.506 56.907 56.400 0.002 0.000 0.841 236 E CB 0.183 29.885 29.700 0.004 0.000 0.783 236 E HN 0.304 nan 8.360 nan 0.000 0.481 237 Q N -0.101 119.713 119.800 0.023 0.000 2.224 237 Q HA -0.070 4.270 4.340 -0.000 0.000 0.203 237 Q C 2.091 178.111 176.000 0.033 0.000 0.970 237 Q CA 0.904 56.727 55.803 0.034 0.000 0.865 237 Q CB 0.102 28.872 28.738 0.052 0.000 0.922 237 Q HN 0.459 nan 8.270 nan 0.000 0.445 238 I N 0.156 120.742 120.570 0.027 0.000 2.353 238 I HA -0.182 3.988 4.170 -0.000 0.000 0.248 238 I C 2.179 178.305 176.117 0.016 0.000 1.119 238 I CA 0.966 62.281 61.300 0.025 0.000 1.417 238 I CB -0.213 37.795 38.000 0.014 0.000 1.078 238 I HN 0.030 nan 8.210 nan 0.000 0.421 239 A N -0.790 122.035 122.820 0.008 0.000 2.030 239 A HA -0.050 4.270 4.320 -0.000 0.000 0.215 239 A C 0.588 178.177 177.584 0.008 0.000 1.164 239 A CA 0.860 52.900 52.037 0.005 0.000 0.697 239 A CB 0.087 19.086 19.000 -0.001 0.000 0.827 239 A HN 0.365 nan 8.150 nan 0.000 0.457 240 D N -0.762 119.644 120.400 0.011 0.000 2.445 240 D HA 0.101 4.741 4.640 -0.000 0.000 0.236 240 D C -0.489 175.819 176.300 0.013 0.000 1.315 240 D CA -0.432 53.575 54.000 0.011 0.000 0.924 240 D CB 0.127 40.932 40.800 0.008 0.000 1.447 240 D HN 0.157 nan 8.370 nan 0.000 0.532 241 R N 1.496 122.004 120.500 0.013 0.000 2.523 241 R HA 0.366 4.706 4.340 -0.000 0.000 0.281 241 R C 0.190 176.491 176.300 0.003 0.000 0.969 241 R CA 0.724 56.832 56.100 0.012 0.000 1.093 241 R CB 0.319 30.625 30.300 0.010 0.000 0.917 241 R HN 0.464 nan 8.270 nan 0.000 0.408 242 G N 0.482 109.282 108.800 0.000 0.000 3.108 242 G HA2 0.096 4.056 3.960 -0.000 0.000 0.268 242 G HA3 0.096 4.056 3.960 -0.000 0.000 0.268 242 G C 0.367 175.234 174.900 -0.054 0.000 1.361 242 G CA -0.169 44.923 45.100 -0.013 0.000 1.047 242 G HN 0.533 nan 8.290 nan 0.000 0.540 243 T N -0.682 113.808 114.554 -0.107 0.000 3.035 243 T HA 0.082 4.432 4.350 -0.000 0.000 0.268 243 T C 2.467 176.990 174.700 -0.295 0.000 1.109 243 T CA 2.074 64.034 62.100 -0.234 0.000 1.119 243 T CB -0.539 68.122 68.868 -0.344 0.000 0.900 243 T HN 0.668 nan 8.240 nan 0.000 0.503 244 A N 1.351 124.088 122.820 -0.139 0.000 1.851 244 A HA 0.149 4.469 4.320 -0.000 0.000 0.216 244 A C 2.757 180.341 177.584 -0.000 0.000 1.195 244 A CA 2.112 54.161 52.037 0.020 0.000 0.622 244 A CB -1.471 17.623 19.000 0.157 0.000 0.831 244 A HN 0.665 nan 8.150 nan 0.000 0.444 245 A N -0.536 122.288 122.820 0.007 0.000 1.933 245 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 245 A C 1.929 179.503 177.584 -0.017 0.000 1.175 245 A CA 1.636 53.686 52.037 0.022 0.000 0.628 245 A CB -0.527 18.492 19.000 0.033 0.000 0.814 245 A HN 0.667 nan 8.150 nan 0.000 0.444 246 E N -0.105 120.058 120.200 -0.063 0.000 2.031 246 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 246 E C 2.278 178.797 176.600 -0.135 0.000 0.994 246 E CA 1.306 57.652 56.400 -0.090 0.000 0.800 246 E CB -0.303 29.337 29.700 -0.101 0.000 0.752 246 E HN 0.672 nan 8.360 nan 0.000 0.447 247 R N 1.032 121.427 120.500 -0.175 0.000 2.159 247 R HA -0.045 4.295 4.340 -0.000 0.000 0.237 247 R C 2.115 178.345 176.300 -0.117 0.000 1.131 247 R CA 1.222 57.207 56.100 -0.191 0.000 0.982 247 R CB -0.563 29.609 30.300 -0.214 0.000 0.868 247 R HN 0.096 nan 8.270 nan 0.000 0.453 248 A N 2.061 124.859 122.820 -0.037 0.000 1.873 248 A HA 0.087 4.406 4.320 -0.000 0.000 0.215 248 A C 2.605 180.257 177.584 0.114 0.000 1.186 248 A CA 1.539 53.608 52.037 0.052 0.000 0.616 248 A CB -0.702 18.360 19.000 0.103 0.000 0.823 248 A HN 0.444 nan 8.150 nan 0.000 0.442 249 A N -0.446 122.404 122.820 0.050 0.000 1.908 249 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 249 A C 2.146 179.689 177.584 -0.067 0.000 1.181 249 A CA 1.650 53.712 52.037 0.041 0.000 0.627 249 A CB -0.561 18.440 19.000 0.002 0.000 0.818 249 A HN 0.472 nan 8.150 nan 0.000 0.445 250 L N -2.188 118.884 121.223 -0.252 0.000 2.341 250 L HA -0.002 4.337 4.340 -0.000 0.000 0.214 250 L C 2.323 178.727 176.870 -0.775 0.000 1.115 250 L CA 0.712 55.173 54.840 -0.632 0.000 0.820 250 L CB -0.307 41.215 42.059 -0.895 0.000 0.944 250 L HN 0.556 nan 8.230 nan 0.000 0.452 251 F N -0.237 119.360 119.950 -0.588 0.000 2.134 251 F HA -0.222 4.305 4.527 -0.000 0.000 0.299 251 F C 1.859 177.363 175.800 -0.493 0.000 1.097 251 F CA 1.525 59.190 58.000 -0.559 0.000 1.264 251 F CB -0.319 38.324 39.000 -0.595 0.000 1.001 251 F HN -0.012 nan 8.300 nan 0.000 0.479 252 W N 0.578 121.821 121.300 -0.095 0.000 2.518 252 W HA 0.031 4.691 4.660 -0.000 0.000 0.273 252 W C 2.744 179.115 176.519 -0.247 0.000 1.247 252 W CA 0.899 58.137 57.345 -0.179 0.000 1.288 252 W CB -0.259 29.135 29.460 -0.109 0.000 1.107 252 W HN -0.070 nan 8.180 nan 0.000 0.586 253 R N -0.274 120.204 120.500 -0.036 0.000 2.057 253 R HA -0.143 4.197 4.340 -0.000 0.000 0.229 253 R C 1.839 178.227 176.300 0.146 0.000 1.136 253 R CA 1.843 57.968 56.100 0.042 0.000 0.952 253 R CB -0.815 29.495 30.300 0.015 0.000 0.848 253 R HN 0.056 nan 8.270 nan 0.000 0.430 254 W N 0.697 121.923 121.300 -0.123 0.000 2.468 254 W HA -0.005 4.655 4.660 -0.000 0.000 0.262 254 W C 1.827 178.213 176.519 -0.222 0.000 1.241 254 W CA 0.902 58.151 57.345 -0.161 0.000 1.232 254 W CB -0.897 28.451 29.460 -0.187 0.000 1.124 254 W HN 0.178 nan 8.180 nan 0.000 0.597 255 T N 0.083 114.567 114.554 -0.117 0.000 2.939 255 T HA -0.014 4.336 4.350 -0.000 0.000 0.254 255 T C 1.616 176.321 174.700 0.007 0.000 1.041 255 T CA 1.572 63.560 62.100 -0.186 0.000 1.142 255 T CB -0.037 68.519 68.868 -0.520 0.000 0.874 255 T HN 0.221 nan 8.240 nan 0.000 0.452 256 M N -1.595 118.054 119.600 0.082 0.000 2.313 256 M HA 0.566 5.046 4.480 -0.000 0.000 0.400 256 M C 1.116 177.568 176.300 0.253 0.000 0.989 256 M CA 0.197 55.590 55.300 0.155 0.000 0.977 256 M CB 1.083 33.776 32.600 0.154 0.000 1.808 256 M HN 0.217 nan 8.290 nan 0.000 0.613 257 G N 2.085 111.014 108.800 0.216 0.000 2.195 257 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.246 257 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.246 257 G C -0.219 174.922 174.900 0.401 0.000 0.984 257 G CA 0.488 45.757 45.100 0.282 0.000 0.633 257 G HN 0.883 nan 8.290 nan 0.000 0.525 258 F N 0.020 120.019 119.950 0.081 0.000 2.745 258 F HA 0.793 5.320 4.527 0.000 0.000 0.316 258 F C -0.610 175.235 175.800 0.076 0.000 1.155 258 F CA -1.193 56.850 58.000 0.070 0.000 0.937 258 F CB 0.619 39.650 39.000 0.053 0.000 1.361 258 F HN 0.388 nan 8.300 nan 0.000 0.472 259 N N 0.958 119.648 118.700 -0.016 0.000 3.526 259 N HA 0.783 5.523 4.740 -0.000 0.000 0.328 259 N C -1.854 173.663 175.510 0.013 0.000 1.601 259 N CA -0.670 52.315 53.050 -0.109 0.000 0.834 259 N CB 1.713 40.211 38.487 0.019 0.000 1.983 259 N HN 1.144 nan 8.380 nan 0.000 0.579 260 A N -0.228 122.600 122.820 0.012 0.000 2.524 260 A HA 0.773 5.093 4.320 -0.000 0.000 0.286 260 A C -0.500 177.132 177.584 0.081 0.000 1.203 260 A CA -0.295 51.792 52.037 0.084 0.000 0.736 260 A CB 0.927 19.942 19.000 0.026 0.000 1.322 260 A HN 0.831 nan 8.150 nan 0.000 0.424 261 T N -2.639 111.975 114.554 0.099 0.000 2.948 261 T HA 0.462 4.812 4.350 -0.000 0.000 0.285 261 T C 0.994 175.749 174.700 0.091 0.000 1.019 261 T CA -0.078 62.074 62.100 0.086 0.000 1.013 261 T CB 0.966 69.886 68.868 0.088 0.000 1.117 261 T HN 0.515 nan 8.240 nan 0.000 0.533 262 M N 0.325 119.986 119.600 0.102 0.000 2.149 262 M HA -0.038 4.442 4.480 -0.000 0.000 0.261 262 M C 2.187 178.611 176.300 0.208 0.000 1.064 262 M CA 1.775 57.165 55.300 0.150 0.000 1.102 262 M CB -0.549 32.133 32.600 0.137 0.000 1.369 262 M HN 0.917 nan 8.290 nan 0.000 0.408 263 E N -1.447 118.840 120.200 0.145 0.000 2.086 263 E HA -0.054 4.296 4.350 -0.000 0.000 0.190 263 E C 1.998 178.687 176.600 0.148 0.000 0.975 263 E CA 0.896 57.386 56.400 0.151 0.000 0.813 263 E CB -0.416 29.331 29.700 0.078 0.000 0.768 263 E HN 0.571 nan 8.360 nan 0.000 0.457 264 G N 1.792 110.663 108.800 0.117 0.000 2.469 264 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.220 264 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.220 264 G C 1.514 176.512 174.900 0.163 0.000 1.136 264 G CA 0.925 46.101 45.100 0.127 0.000 0.759 264 G HN 0.340 nan 8.290 nan 0.000 0.562 265 I N 0.531 121.135 120.570 0.057 0.000 2.567 265 I HA -0.063 4.107 4.170 -0.000 0.000 0.257 265 I C 2.175 178.141 176.117 -0.252 0.000 1.184 265 I CA 0.838 62.070 61.300 -0.113 0.000 1.451 265 I CB -0.473 37.269 38.000 -0.429 0.000 1.089 265 I HN 0.291 nan 8.210 nan 0.000 0.441 266 H N -1.763 117.279 119.070 -0.046 0.000 2.512 266 H HA 0.046 4.602 4.556 -0.000 0.000 0.279 266 H C 1.808 177.129 175.328 -0.011 0.000 0.999 266 H CA 0.673 56.675 56.048 -0.076 0.000 1.283 266 H CB 0.152 29.875 29.762 -0.065 0.000 1.421 266 H HN 0.184 nan 8.280 nan 0.000 0.554 267 L N -0.713 120.575 121.223 0.107 0.000 2.072 267 L HA -0.090 4.249 4.340 -0.000 0.000 0.205 267 L C 1.461 178.418 176.870 0.144 0.000 1.079 267 L CA 1.471 56.377 54.840 0.110 0.000 0.752 267 L CB -0.760 41.334 42.059 0.058 0.000 0.906 267 L HN 0.348 nan 8.230 nan 0.000 0.436 268 W N -0.652 120.673 121.300 0.042 0.000 2.333 268 W HA -0.226 4.434 4.660 -0.000 0.000 0.316 268 W C 2.568 179.075 176.519 -0.020 0.000 1.215 268 W CA 1.780 59.135 57.345 0.017 0.000 1.278 268 W CB -0.529 28.886 29.460 -0.075 0.000 1.154 268 W HN 0.200 nan 8.180 nan 0.000 0.486 269 A N 0.104 122.985 122.820 0.102 0.000 1.865 269 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 269 A C 1.941 179.517 177.584 -0.012 0.000 1.191 269 A CA 1.839 53.850 52.037 -0.043 0.000 0.623 269 A CB -1.124 17.737 19.000 -0.232 0.000 0.826 269 A HN 0.379 nan 8.150 nan 0.000 0.444 270 I N -2.126 118.434 120.570 -0.015 0.000 2.361 270 I HA -0.251 3.919 4.170 -0.000 0.000 0.251 270 I C 2.153 178.198 176.117 -0.119 0.000 1.133 270 I CA 1.340 62.585 61.300 -0.091 0.000 1.413 270 I CB -0.091 37.826 38.000 -0.138 0.000 1.073 270 I HN 0.618 nan 8.210 nan 0.000 0.424 271 W N -0.221 121.057 121.300 -0.038 0.000 2.481 271 W HA -0.131 4.529 4.660 -0.000 0.000 0.293 271 W C 2.395 178.837 176.519 -0.128 0.000 1.201 271 W CA 0.515 57.803 57.345 -0.094 0.000 1.328 271 W CB -0.427 28.946 29.460 -0.145 0.000 1.112 271 W HN 0.084 nan 8.180 nan 0.000 0.546 272 M N 1.376 121.081 119.600 0.176 0.000 2.088 272 M HA -0.255 4.225 4.480 -0.000 0.000 0.256 272 M C 2.086 178.416 176.300 0.050 0.000 1.071 272 M CA 2.601 57.965 55.300 0.108 0.000 1.097 272 M CB -0.909 31.796 32.600 0.175 0.000 1.315 272 M HN -0.011 nan 8.290 nan 0.000 0.406 273 A N -1.429 121.424 122.820 0.056 0.000 1.873 273 A HA -0.069 4.251 4.320 -0.000 0.000 0.215 273 A C 2.213 179.823 177.584 0.044 0.000 1.186 273 A CA 1.790 53.864 52.037 0.062 0.000 0.616 273 A CB -1.236 17.788 19.000 0.040 0.000 0.823 273 A HN 0.382 nan 8.150 nan 0.000 0.442 274 V N 0.166 120.079 119.914 -0.001 0.000 2.490 274 V HA -0.228 3.892 4.120 -0.000 0.000 0.250 274 V C 2.456 178.566 176.094 0.026 0.000 1.061 274 V CA 1.890 64.187 62.300 -0.006 0.000 1.064 274 V CB -0.603 31.141 31.823 -0.131 0.000 0.670 274 V HN 0.567 nan 8.190 nan 0.000 0.461 275 L N -1.037 120.152 121.223 -0.056 0.000 2.291 275 L HA -0.092 4.248 4.340 -0.000 0.000 0.214 275 L C 2.329 179.255 176.870 0.093 0.000 1.120 275 L CA 0.460 55.202 54.840 -0.162 0.000 0.799 275 L CB -0.550 41.000 42.059 -0.849 0.000 0.925 275 L HN 0.183 nan 8.230 nan 0.000 0.446 276 V N 0.162 120.180 119.914 0.173 0.000 2.252 276 V HA -0.341 3.779 4.120 -0.000 0.000 0.249 276 V C 2.604 178.831 176.094 0.223 0.000 1.056 276 V CA 2.666 65.126 62.300 0.268 0.000 1.022 276 V CB -1.028 30.916 31.823 0.202 0.000 0.641 276 V HN 0.683 nan 8.190 nan 0.000 0.445 277 T N -2.163 112.507 114.554 0.195 0.000 3.088 277 T HA 0.021 4.371 4.350 -0.000 0.000 0.259 277 T C 1.687 176.579 174.700 0.320 0.000 1.122 277 T CA 0.935 63.167 62.100 0.220 0.000 1.095 277 T CB 0.008 68.997 68.868 0.202 0.000 0.930 277 T HN 0.279 nan 8.240 nan 0.000 0.508 278 L N 2.639 124.032 121.223 0.282 0.000 2.049 278 L HA 0.056 4.396 4.340 -0.000 0.000 0.203 278 L C 2.776 179.845 176.870 0.331 0.000 1.074 278 L CA 2.278 57.296 54.840 0.297 0.000 0.749 278 L CB -1.106 41.029 42.059 0.126 0.000 0.907 278 L HN 0.443 nan 8.230 nan 0.000 0.439 279 T N -3.208 111.528 114.554 0.304 0.000 2.701 279 T HA -0.078 4.272 4.350 -0.000 0.000 0.263 279 T C 2.041 176.895 174.700 0.256 0.000 1.040 279 T CA 0.899 63.200 62.100 0.334 0.000 1.147 279 T CB -1.730 67.423 68.868 0.476 0.000 0.865 279 T HN 0.379 nan 8.240 nan 0.000 0.426 280 G N 1.332 110.273 108.800 0.235 0.000 2.545 280 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.222 280 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.222 280 G C 1.662 176.614 174.900 0.086 0.000 1.126 280 G CA 0.899 46.088 45.100 0.149 0.000 0.754 280 G HN 0.732 nan 8.290 nan 0.000 0.583 281 G N 0.298 109.174 108.800 0.126 0.000 2.494 281 G HA2 0.056 4.016 3.960 -0.000 0.000 0.216 281 G HA3 0.056 4.016 3.960 -0.000 0.000 0.216 281 G C 1.706 176.570 174.900 -0.059 0.000 1.140 281 G CA 0.470 45.497 45.100 -0.121 0.000 0.801 281 G HN 0.449 nan 8.290 nan 0.000 0.536 282 I N 1.367 122.003 120.570 0.110 0.000 2.163 282 I HA -0.056 4.114 4.170 -0.000 0.000 0.240 282 I C 3.123 179.080 176.117 -0.267 0.000 1.081 282 I CA 1.016 62.228 61.300 -0.148 0.000 1.353 282 I CB -0.595 37.089 38.000 -0.526 0.000 1.054 282 I HN 0.215 nan 8.210 nan 0.000 0.407 283 G N 1.907 110.570 108.800 -0.229 0.000 2.703 283 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.222 283 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.222 283 G C 1.479 176.375 174.900 -0.006 0.000 1.183 283 G CA 1.333 46.410 45.100 -0.038 0.000 0.775 283 G HN 0.256 nan 8.290 nan 0.000 0.615 284 I N 0.334 120.893 120.570 -0.018 0.000 2.439 284 I HA 0.021 4.191 4.170 -0.000 0.000 0.251 284 I C 2.594 178.748 176.117 0.063 0.000 1.139 284 I CA 0.423 61.731 61.300 0.014 0.000 1.438 284 I CB -1.057 36.881 38.000 -0.104 0.000 1.085 284 I HN 0.176 nan 8.210 nan 0.000 0.427 285 L N 0.622 121.837 121.223 -0.013 0.000 2.141 285 L HA -0.048 4.292 4.340 -0.000 0.000 0.209 285 L C 2.042 178.954 176.870 0.070 0.000 1.094 285 L CA 1.621 56.459 54.840 -0.004 0.000 0.763 285 L CB -0.347 41.691 42.059 -0.034 0.000 0.908 285 L HN 0.112 nan 8.230 nan 0.000 0.437 286 L N -1.164 120.126 121.223 0.112 0.000 2.599 286 L HA 0.102 4.442 4.340 -0.000 0.000 0.230 286 L C 0.619 177.631 176.870 0.236 0.000 1.141 286 L CA -0.141 54.803 54.840 0.174 0.000 0.877 286 L CB -0.351 41.859 42.059 0.251 0.000 1.009 286 L HN 0.023 nan 8.230 nan 0.000 0.447 287 S N 0.601 116.449 115.700 0.247 0.000 2.399 287 S HA 0.445 4.915 4.470 -0.000 0.000 0.301 287 S C 1.040 175.677 174.600 0.063 0.000 1.093 287 S CA 0.233 58.544 58.200 0.185 0.000 1.077 287 S CB 0.963 64.233 63.200 0.116 0.000 0.980 287 S HN 0.535 nan 8.310 nan 0.000 0.494 288 G N 2.814 111.675 108.800 0.102 0.000 2.143 288 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.249 288 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.249 288 G C 0.699 175.629 174.900 0.051 0.000 0.981 288 G CA 0.660 45.840 45.100 0.132 0.000 0.665 288 G HN 0.788 nan 8.290 nan 0.000 0.528 289 T N -4.251 110.325 114.554 0.037 0.000 3.038 289 T HA 0.474 4.824 4.350 -0.000 0.000 0.244 289 T C 1.755 176.459 174.700 0.006 0.000 1.016 289 T CA 1.434 63.547 62.100 0.021 0.000 1.098 289 T CB 0.619 69.509 68.868 0.036 0.000 0.954 289 T HN 0.622 nan 8.240 nan 0.000 0.469 290 V N 0.146 120.059 119.914 -0.003 0.000 3.294 290 V HA 0.397 4.517 4.120 -0.000 0.000 0.255 290 V C -0.308 175.741 176.094 -0.074 0.000 1.528 290 V CA -0.116 62.178 62.300 -0.011 0.000 1.086 290 V CB 1.618 33.457 31.823 0.027 0.000 0.906 290 V HN 0.312 nan 8.190 nan 0.000 0.433 291 V N 0.983 120.793 119.914 -0.174 0.000 2.443 291 V HA 0.446 4.566 4.120 -0.000 0.000 0.293 291 V C 0.245 176.152 176.094 -0.312 0.000 1.021 291 V CA -0.372 61.690 62.300 -0.397 0.000 0.848 291 V CB 1.671 32.836 31.823 -1.097 0.000 0.998 291 V HN 0.239 nan 8.190 nan 0.000 0.424 292 D N 2.495 122.762 120.400 -0.221 0.000 2.305 292 D HA 0.036 4.676 4.640 -0.000 0.000 0.206 292 D C 0.520 176.721 176.300 -0.166 0.000 0.974 292 D CA 0.907 54.818 54.000 -0.148 0.000 0.871 292 D CB 0.523 41.247 40.800 -0.128 0.000 0.947 292 D HN 0.534 nan 8.370 nan 0.000 0.516 293 N N -0.374 118.183 118.700 -0.239 0.000 2.599 293 N HA -0.019 4.721 4.740 -0.000 0.000 0.283 293 N C -0.079 175.373 175.510 -0.096 0.000 1.160 293 N CA -0.405 52.578 53.050 -0.112 0.000 0.869 293 N CB 0.284 38.748 38.487 -0.040 0.000 1.448 293 N HN -0.163 nan 8.380 nan 0.000 0.535 294 W N 2.043 123.456 121.300 0.189 0.000 2.350 294 W HA -0.125 4.535 4.660 0.000 0.000 0.289 294 W C 1.765 178.426 176.519 0.236 0.000 1.215 294 W CA 0.625 58.124 57.345 0.256 0.000 1.236 294 W CB -0.403 29.215 29.460 0.263 0.000 1.130 294 W HN 0.664 nan 8.180 nan 0.000 0.541 295 Y N 0.866 121.221 120.300 0.092 0.000 2.097 295 Y HA -0.322 4.228 4.550 -0.000 0.000 0.282 295 Y C 2.292 178.090 175.900 -0.170 0.000 1.152 295 Y CA 2.197 60.107 58.100 -0.317 0.000 1.136 295 Y CB -0.908 37.381 38.460 -0.285 0.000 0.975 295 Y HN -0.211 nan 8.280 nan 0.000 0.498 296 V N -0.758 119.123 119.914 -0.056 0.000 2.223 296 V HA -0.342 3.778 4.120 -0.000 0.000 0.244 296 V C 2.101 178.092 176.094 -0.172 0.000 1.045 296 V CA 2.045 64.257 62.300 -0.147 0.000 1.000 296 V CB -1.382 30.420 31.823 -0.034 0.000 0.635 296 V HN 0.718 nan 8.190 nan 0.000 0.445 297 W N 1.432 122.601 121.300 -0.218 0.000 2.277 297 W HA -0.286 4.374 4.660 -0.000 0.000 0.327 297 W C 2.286 178.691 176.519 -0.190 0.000 1.284 297 W CA 2.500 59.738 57.345 -0.178 0.000 1.277 297 W CB -0.821 28.514 29.460 -0.208 0.000 1.141 297 W HN 0.288 nan 8.180 nan 0.000 0.482 298 G N -0.661 108.189 108.800 0.083 0.000 2.498 298 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.219 298 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.219 298 G C 1.380 175.886 174.900 -0.656 0.000 1.119 298 G CA 0.901 45.888 45.100 -0.189 0.000 0.766 298 G HN 0.333 nan 8.290 nan 0.000 0.552 299 Q N 0.366 119.794 119.800 -0.620 0.000 2.089 299 Q HA 0.007 4.347 4.340 -0.000 0.000 0.195 299 Q C 2.290 177.948 176.000 -0.570 0.000 0.963 299 Q CA 1.104 56.567 55.803 -0.567 0.000 0.834 299 Q CB -0.305 28.128 28.738 -0.507 0.000 0.906 299 Q HN 0.637 nan 8.270 nan 0.000 0.452 300 N N -0.326 118.050 118.700 -0.541 0.000 2.124 300 N HA -0.077 4.663 4.740 -0.000 0.000 0.189 300 N C -0.500 174.670 175.510 -0.567 0.000 1.050 300 N CA 0.624 53.407 53.050 -0.445 0.000 0.848 300 N CB 0.008 38.294 38.487 -0.335 0.000 1.027 300 N HN 0.272 nan 8.380 nan 0.000 0.435 301 H N -1.566 117.041 119.070 -0.772 0.000 3.503 301 H HA 0.115 4.671 4.556 -0.000 0.000 0.331 301 H C -0.542 174.277 175.328 -0.848 0.000 1.377 301 H CA 0.141 55.485 56.048 -1.173 0.000 1.445 301 H CB -1.309 28.065 29.762 -0.647 0.000 1.328 301 H HN 0.633 nan 8.280 nan 0.000 0.463 302 G N -0.788 107.478 108.800 -0.891 0.000 3.043 302 G HA2 0.419 4.379 3.960 -0.000 0.000 0.239 302 G HA3 0.419 4.379 3.960 -0.000 0.000 0.239 302 G C -0.184 174.633 174.900 -0.139 0.000 1.042 302 G CA 0.147 45.129 45.100 -0.198 0.000 1.189 302 G HN 1.212 nan 8.290 nan 0.000 0.578 303 M N 0.000 119.521 119.600 -0.132 0.000 2.572 303 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 303 M CA 0.000 nan 55.300 nan 0.000 0.988 303 M CB 0.000 nan 32.600 nan 0.000 1.302 303 M HN 0.000 nan 8.290 nan 0.000 0.411