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 2ggi_1_C DATA FIRST_RESID 6 DATA SEQUENCE RMFKIEAAEI VVARLPLKXX XXXXXXXXTH KVVPLLILHG EGVQGVAEGT DATA SEQUENCE MEARPMYREE TIAGALDLLR GTFLPAILGQ TFANPEAVSD ALGSYRGNRM DATA SEQUENCE ARAMVEMAAW DLWARTLGVP LGTLLGGHKE QVEVGVSLGI QADcQATVDL DATA SEQUENCE VRRHVEQGYR RIKLKIKPGW DVQPVRcTRE AFPDIRLTVD ANSAYTLADA DATA SEQUENCE GRLRQLDEYD LTYIEQPLAW DDLVDHAELA RRIRTPLCLD ESVASASDAR DATA SEQUENCE KALALGAGGV INLKVARVGG HAESRRVHDV AQSFGAPVWC GGMLESGIGR DATA SEQUENCE AHNIHLSTLS NFRLPGDTSS ASRYWERDLI QEPLEAVDGL MPVPQGPGTG DATA SEQUENCE VTLDREFLAT VTEAQEEHRA 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 6 R HA 0.000 nan 4.340 nan 0.000 0.208 6 R C 0.000 176.509 176.300 0.349 0.000 0.893 6 R CA 0.000 56.236 56.100 0.228 0.000 0.921 6 R CB 0.000 30.378 30.300 0.129 0.000 0.687 7 M N 1.245 120.976 119.600 0.218 0.000 2.228 7 M HA 0.419 4.899 4.480 0.000 0.000 0.326 7 M C -0.576 175.883 176.300 0.264 0.000 1.122 7 M CA -0.065 55.337 55.300 0.171 0.000 1.161 7 M CB 0.320 32.908 32.600 -0.020 0.000 1.437 7 M HN 0.554 nan 8.290 nan 0.000 0.465 8 F N -0.538 119.493 119.950 0.136 0.000 2.540 8 F HA 0.695 5.222 4.527 0.000 0.000 0.317 8 F C -0.797 175.074 175.800 0.118 0.000 1.104 8 F CA -1.219 56.868 58.000 0.145 0.000 0.913 8 F CB 1.105 40.230 39.000 0.209 0.000 1.170 8 F HN 0.426 nan 8.300 nan 0.000 0.450 9 K N 4.588 125.104 120.400 0.193 0.000 2.240 9 K HA 0.556 4.876 4.320 0.000 0.000 0.271 9 K C -1.031 175.703 176.600 0.225 0.000 1.018 9 K CA -0.589 55.757 56.287 0.099 0.000 0.874 9 K CB 1.002 33.531 32.500 0.049 0.000 1.098 9 K HN 0.865 nan 8.250 nan 0.000 0.458 10 I N 4.695 125.416 120.570 0.251 0.000 2.363 10 I HA 0.028 4.198 4.170 0.000 0.000 0.292 10 I C 0.869 177.097 176.117 0.185 0.000 1.075 10 I CA 0.100 61.561 61.300 0.268 0.000 1.333 10 I CB 1.104 39.288 38.000 0.306 0.000 1.415 10 I HN 0.828 nan 8.210 nan 0.000 0.502 11 E N 4.317 124.624 120.200 0.178 0.000 2.201 11 E HA 0.248 4.598 4.350 0.000 0.000 0.193 11 E C 0.380 177.059 176.600 0.132 0.000 0.957 11 E CA 0.176 56.655 56.400 0.132 0.000 0.858 11 E CB 0.580 30.346 29.700 0.110 0.000 0.816 11 E HN 0.776 nan 8.360 nan 0.000 0.475 12 A N 0.153 123.085 122.820 0.186 0.000 2.566 12 A HA 0.832 5.152 4.320 0.000 0.000 0.292 12 A C -1.560 176.195 177.584 0.285 0.000 1.112 12 A CA -0.320 51.829 52.037 0.187 0.000 0.707 12 A CB 1.862 20.903 19.000 0.068 0.000 1.302 12 A HN 0.082 nan 8.150 nan 0.000 0.409 13 A N 0.674 123.650 122.820 0.261 0.000 2.427 13 A HA 0.717 5.037 4.320 0.000 0.000 0.298 13 A C -0.962 176.776 177.584 0.258 0.000 1.036 13 A CA -0.421 51.767 52.037 0.250 0.000 0.701 13 A CB 1.008 20.116 19.000 0.179 0.000 1.250 13 A HN 0.734 nan 8.150 nan 0.000 0.412 14 E N 1.665 122.002 120.200 0.227 0.000 2.183 14 E HA 0.556 4.906 4.350 0.000 0.000 0.271 14 E C -1.186 175.497 176.600 0.137 0.000 0.919 14 E CA -0.492 56.017 56.400 0.181 0.000 0.781 14 E CB 2.405 32.209 29.700 0.172 0.000 1.140 14 E HN 0.587 nan 8.360 nan 0.000 0.402 15 I N 2.807 123.459 120.570 0.137 0.000 2.339 15 I HA 0.273 4.443 4.170 0.000 0.000 0.290 15 I C -0.824 175.324 176.117 0.051 0.000 0.994 15 I CA -0.886 60.467 61.300 0.088 0.000 1.191 15 I CB 1.362 39.423 38.000 0.101 0.000 1.343 15 I HN 0.180 nan 8.210 nan 0.000 0.458 16 V N 7.291 127.220 119.914 0.026 0.000 2.483 16 V HA 0.377 4.497 4.120 0.000 0.000 0.297 16 V C -0.193 175.891 176.094 -0.016 0.000 1.027 16 V CA -0.706 61.595 62.300 0.002 0.000 0.855 16 V CB 2.125 33.946 31.823 -0.003 0.000 0.995 16 V HN 0.366 nan 8.190 nan 0.000 0.424 17 V N 4.112 124.011 119.914 -0.025 0.000 2.370 17 V HA 0.846 4.966 4.120 0.000 0.000 0.283 17 V C 0.405 176.465 176.094 -0.056 0.000 1.023 17 V CA -0.321 61.958 62.300 -0.035 0.000 0.857 17 V CB 1.396 33.204 31.823 -0.025 0.000 0.985 17 V HN 0.997 nan 8.190 nan 0.000 0.443 18 A N 5.254 128.030 122.820 -0.073 0.000 2.356 18 A HA 0.916 5.236 4.320 0.000 0.000 0.323 18 A C -0.379 177.151 177.584 -0.090 0.000 1.119 18 A CA -0.888 51.087 52.037 -0.103 0.000 0.790 18 A CB 1.541 20.456 19.000 -0.141 0.000 1.273 18 A HN 0.780 nan 8.150 nan 0.000 0.452 19 R N 1.029 121.475 120.500 -0.089 0.000 2.534 19 R HA 0.637 4.977 4.340 0.000 0.000 0.301 19 R C -2.103 174.174 176.300 -0.038 0.000 0.961 19 R CA -0.626 55.445 56.100 -0.048 0.000 0.871 19 R CB 1.159 31.442 30.300 -0.028 0.000 1.170 19 R HN 0.543 nan 8.270 nan 0.000 0.446 20 L N 6.353 127.578 121.223 0.003 0.000 2.356 20 L HA 0.556 4.896 4.340 0.000 0.000 0.277 20 L C -2.286 174.759 176.870 0.292 0.000 0.996 20 L CA -2.297 52.572 54.840 0.047 0.000 0.822 20 L CB 1.880 43.757 42.059 -0.303 0.000 1.256 20 L HN 0.586 nan 8.230 nan 0.000 0.413 21 P HA 0.233 nan 4.420 nan 0.000 0.278 21 P C -0.104 177.438 177.300 0.403 0.000 1.238 21 P CA -0.412 62.976 63.100 0.481 0.000 0.794 21 P CB 1.268 33.213 31.700 0.407 0.000 0.955 22 L N 2.206 123.525 121.223 0.161 0.000 2.895 22 L HA 0.374 4.714 4.340 0.000 0.000 0.168 22 L C 1.271 178.146 176.870 0.008 0.000 1.252 22 L CA 0.396 55.286 54.840 0.083 0.000 1.305 22 L CB -0.050 41.968 42.059 -0.067 0.000 2.208 22 L HN 0.389 nan 8.230 nan 0.000 0.503 35 H N 0.366 119.500 119.070 0.106 0.000 2.960 35 H HA 0.908 5.464 4.556 0.000 0.000 0.303 35 H C -1.412 174.014 175.328 0.163 0.000 1.412 35 H CA -0.793 55.343 56.048 0.146 0.000 1.227 35 H CB 1.748 31.573 29.762 0.105 0.000 1.912 35 H HN 0.407 nan 8.280 nan 0.000 0.583 36 K N 0.694 121.281 120.400 0.312 0.000 2.581 36 K HA 0.441 4.761 4.320 0.000 0.000 0.249 36 K C -2.050 174.608 176.600 0.096 0.000 0.966 36 K CA -0.427 55.990 56.287 0.217 0.000 0.811 36 K CB 1.325 34.036 32.500 0.352 0.000 1.223 36 K HN 0.379 nan 8.250 nan 0.000 0.438 37 V N 4.615 124.566 119.914 0.061 0.000 2.406 37 V HA 0.382 4.502 4.120 0.000 0.000 0.272 37 V C -0.448 175.638 176.094 -0.013 0.000 1.043 37 V CA -0.797 61.510 62.300 0.011 0.000 0.915 37 V CB 1.370 33.200 31.823 0.011 0.000 0.988 37 V HN 0.535 nan 8.190 nan 0.000 0.466 38 V N 7.864 127.748 119.914 -0.050 0.000 2.293 38 V HA 0.331 4.452 4.120 0.000 0.000 0.275 38 V C -2.455 173.608 176.094 -0.052 0.000 1.021 38 V CA -1.831 60.430 62.300 -0.065 0.000 0.815 38 V CB 1.389 33.137 31.823 -0.124 0.000 1.025 38 V HN 0.756 nan 8.190 nan 0.000 0.448 39 P HA 0.417 nan 4.420 nan 0.000 0.287 39 P C -0.703 176.583 177.300 -0.023 0.000 1.294 39 P CA -0.103 62.982 63.100 -0.025 0.000 0.776 39 P CB 0.836 32.526 31.700 -0.017 0.000 0.889 40 L N 3.824 125.037 121.223 -0.017 0.000 2.334 40 L HA 0.587 4.927 4.340 0.000 0.000 0.276 40 L C -0.304 176.569 176.870 0.006 0.000 1.014 40 L CA -1.117 53.717 54.840 -0.010 0.000 0.815 40 L CB 1.876 43.928 42.059 -0.013 0.000 1.268 40 L HN 0.224 nan 8.230 nan 0.000 0.428 41 L N 4.305 125.533 121.223 0.008 0.000 2.356 41 L HA 0.599 4.939 4.340 0.000 0.000 0.277 41 L C -0.966 175.911 176.870 0.012 0.000 0.996 41 L CA 0.032 54.885 54.840 0.021 0.000 0.822 41 L CB 1.558 43.630 42.059 0.022 0.000 1.256 41 L HN 0.364 nan 8.230 nan 0.000 0.413 42 I N 6.163 126.739 120.570 0.010 0.000 2.389 42 I HA 0.387 4.557 4.170 0.000 0.000 0.288 42 I C -0.756 175.305 176.117 -0.093 0.000 0.999 42 I CA -0.484 60.777 61.300 -0.066 0.000 1.129 42 I CB 1.458 39.415 38.000 -0.072 0.000 1.288 42 I HN 0.436 nan 8.210 nan 0.000 0.444 43 L N 5.888 127.034 121.223 -0.129 0.000 2.309 43 L HA 0.507 4.847 4.340 0.000 0.000 0.282 43 L C -0.371 176.384 176.870 -0.192 0.000 1.036 43 L CA -0.682 54.123 54.840 -0.057 0.000 0.806 43 L CB 1.059 43.133 42.059 0.025 0.000 1.220 43 L HN 0.518 nan 8.230 nan 0.000 0.429 44 H N 2.028 121.152 119.070 0.089 0.000 2.505 44 H HA 0.668 5.224 4.556 0.000 0.000 0.338 44 H C -0.201 175.191 175.328 0.106 0.000 1.057 44 H CA -0.506 55.590 56.048 0.081 0.000 1.202 44 H CB 2.239 32.041 29.762 0.067 0.000 1.466 44 H HN 0.781 nan 8.280 nan 0.000 0.499 45 G N 1.426 110.343 108.800 0.195 0.000 2.702 45 G HA2 0.217 4.177 3.960 0.000 0.000 0.296 45 G HA3 0.217 4.177 3.960 0.000 0.000 0.296 45 G C -0.748 174.243 174.900 0.151 0.000 1.463 45 G CA -0.850 44.366 45.100 0.193 0.000 0.890 45 G HN 0.464 nan 8.290 nan 0.000 0.534 46 E N -0.389 119.895 120.200 0.140 0.000 2.440 46 E HA -0.261 4.089 4.350 0.000 0.000 0.246 46 E C 1.428 178.074 176.600 0.078 0.000 1.165 46 E CA 1.829 58.295 56.400 0.110 0.000 0.726 46 E CB -1.597 28.181 29.700 0.131 0.000 1.271 46 E HN 2.517 nan 8.360 nan 0.000 0.397 47 G N -1.772 107.076 108.800 0.080 0.000 2.155 47 G HA2 -0.335 3.625 3.960 0.000 0.000 0.257 47 G HA3 -0.335 3.625 3.960 0.000 0.000 0.257 47 G C 0.492 175.426 174.900 0.057 0.000 0.983 47 G CA 1.216 46.355 45.100 0.064 0.000 0.676 47 G HN 1.078 nan 8.290 nan 0.000 0.528 48 V N -3.596 116.354 119.914 0.059 0.000 3.156 48 V HA 0.986 5.106 4.120 0.000 0.000 0.311 48 V C -0.395 175.713 176.094 0.022 0.000 1.208 48 V CA -0.272 62.046 62.300 0.029 0.000 1.063 48 V CB 1.850 33.667 31.823 -0.010 0.000 1.098 48 V HN 1.074 nan 8.190 nan 0.000 0.452 49 Q N 0.390 120.172 119.800 -0.031 0.000 2.421 49 Q HA 0.799 5.139 4.340 0.000 0.000 0.280 49 Q C -0.613 175.334 176.000 -0.087 0.000 1.085 49 Q CA -0.622 55.113 55.803 -0.112 0.000 0.807 49 Q CB 2.344 30.944 28.738 -0.230 0.000 1.405 49 Q HN 1.299 nan 8.270 nan 0.000 0.419 50 G N 0.635 109.382 108.800 -0.088 0.000 2.452 50 G HA2 0.595 4.555 3.960 0.000 0.000 0.324 50 G HA3 0.595 4.555 3.960 0.000 0.000 0.324 50 G C -1.122 173.772 174.900 -0.009 0.000 1.214 50 G CA -0.688 44.399 45.100 -0.022 0.000 0.947 50 G HN 0.408 nan 8.290 nan 0.000 0.478 51 V N 0.570 120.521 119.914 0.061 0.000 2.588 51 V HA 0.848 4.968 4.120 0.000 0.000 0.304 51 V C 0.212 176.412 176.094 0.177 0.000 1.042 51 V CA -0.680 61.664 62.300 0.074 0.000 0.877 51 V CB 1.171 33.027 31.823 0.054 0.000 0.996 51 V HN 1.208 nan 8.190 nan 0.000 0.425 52 A N 3.216 126.074 122.820 0.064 0.000 2.479 52 A HA 0.911 5.231 4.320 0.000 0.000 0.296 52 A C -0.842 176.712 177.584 -0.050 0.000 1.121 52 A CA -0.668 51.337 52.037 -0.052 0.000 0.743 52 A CB 1.939 20.834 19.000 -0.174 0.000 1.323 52 A HN 0.890 nan 8.150 nan 0.000 0.415 53 E N 0.821 120.965 120.200 -0.092 0.000 2.187 53 E HA 0.536 4.886 4.350 0.000 0.000 0.268 53 E C 0.161 176.722 176.600 -0.066 0.000 0.896 53 E CA -0.681 55.686 56.400 -0.055 0.000 0.766 53 E CB 1.549 31.229 29.700 -0.033 0.000 1.142 53 E HN 0.928 nan 8.360 nan 0.000 0.408 54 G N 1.677 110.451 108.800 -0.043 0.000 2.398 54 G HA2 0.143 4.103 3.960 0.000 0.000 0.246 54 G HA3 0.143 4.103 3.960 0.000 0.000 0.246 54 G C 0.684 175.565 174.900 -0.033 0.000 1.289 54 G CA 0.171 45.251 45.100 -0.034 0.000 0.869 54 G HN 0.634 nan 8.290 nan 0.000 0.543 55 T N 0.466 115.001 114.554 -0.032 0.000 3.054 55 T HA 0.182 4.532 4.350 0.000 0.000 0.255 55 T C 1.181 175.871 174.700 -0.016 0.000 1.035 55 T CA -0.364 61.714 62.100 -0.036 0.000 0.941 55 T CB -0.080 68.751 68.868 -0.062 0.000 1.026 55 T HN 0.529 nan 8.240 nan 0.000 0.533 56 M N 1.480 121.080 119.600 0.001 0.000 2.240 56 M HA 0.509 4.989 4.480 0.000 0.000 0.333 56 M C -0.630 175.676 176.300 0.011 0.000 1.110 56 M CA 0.020 55.329 55.300 0.015 0.000 1.173 56 M CB 0.093 32.700 32.600 0.011 0.000 1.458 56 M HN 0.059 nan 8.290 nan 0.000 0.458 57 E N 1.367 121.578 120.200 0.018 0.000 2.232 57 E HA 0.611 4.961 4.350 0.000 0.000 0.265 57 E C 0.980 177.584 176.600 0.008 0.000 1.001 57 E CA -0.367 56.044 56.400 0.018 0.000 0.870 57 E CB 1.149 30.866 29.700 0.029 0.000 1.175 57 E HN 0.770 nan 8.360 nan 0.000 0.407 58 A N 1.887 124.713 122.820 0.010 0.000 1.892 58 A HA -0.160 4.160 4.320 0.000 0.000 0.218 58 A C 0.769 178.352 177.584 -0.003 0.000 1.188 58 A CA 1.460 53.499 52.037 0.003 0.000 0.631 58 A CB -0.175 18.830 19.000 0.008 0.000 0.822 58 A HN 0.460 nan 8.150 nan 0.000 0.447 59 R N -0.805 119.695 120.500 -0.000 0.000 2.740 59 R HA 0.403 4.743 4.340 0.000 0.000 0.282 59 R C -2.889 173.400 176.300 -0.019 0.000 0.969 59 R CA -2.231 53.863 56.100 -0.010 0.000 0.918 59 R CB 1.335 31.631 30.300 -0.007 0.000 1.175 59 R HN 0.061 nan 8.270 nan 0.000 0.464 60 P HA 0.093 nan 4.420 nan 0.000 0.252 60 P C -0.381 176.851 177.300 -0.112 0.000 1.727 60 P CA 0.285 63.335 63.100 -0.084 0.000 1.134 60 P CB 0.398 32.034 31.700 -0.107 0.000 1.876 61 M N 0.989 120.549 119.600 -0.068 0.000 2.858 61 M HA 0.041 4.521 4.480 0.000 0.000 0.255 61 M C 1.924 178.178 176.300 -0.076 0.000 1.336 61 M CA 0.829 56.094 55.300 -0.059 0.000 1.220 61 M CB -0.254 32.347 32.600 0.003 0.000 1.252 61 M HN 0.091 nan 8.290 nan 0.000 0.538 62 Y N 0.906 121.129 120.300 -0.129 0.000 2.243 62 Y HA 0.164 4.714 4.550 0.000 0.000 0.293 62 Y C 1.438 177.196 175.900 -0.238 0.000 1.124 62 Y CA 1.111 59.135 58.100 -0.127 0.000 1.159 62 Y CB 0.501 38.924 38.460 -0.061 0.000 1.008 62 Y HN -0.028 nan 8.280 nan 0.000 0.527 63 R N -0.869 119.387 120.500 -0.407 0.000 3.317 63 R HA 0.088 4.428 4.340 0.000 0.000 0.259 63 R C 0.997 177.039 176.300 -0.431 0.000 1.143 63 R CA 0.179 55.892 56.100 -0.646 0.000 0.969 63 R CB 0.501 30.512 30.300 -0.482 0.000 1.465 63 R HN 0.128 nan 8.270 nan 0.000 0.430 64 E N 0.941 120.931 120.200 -0.349 0.000 2.340 64 E HA 0.036 4.386 4.350 0.000 0.000 0.194 64 E C -0.604 175.941 176.600 -0.091 0.000 0.996 64 E CA 0.776 57.048 56.400 -0.214 0.000 0.869 64 E CB 0.301 29.935 29.700 -0.110 0.000 0.835 64 E HN 0.432 nan 8.360 nan 0.000 0.493 65 E N 1.417 121.586 120.200 -0.052 0.000 2.373 65 E HA 0.226 4.576 4.350 0.000 0.000 0.263 65 E C -0.194 176.393 176.600 -0.022 0.000 1.073 65 E CA 0.152 56.540 56.400 -0.020 0.000 0.894 65 E CB 1.066 30.770 29.700 0.006 0.000 1.008 65 E HN 0.280 nan 8.360 nan 0.000 0.420 66 T N -1.511 113.030 114.554 -0.022 0.000 2.916 66 T HA 0.395 4.745 4.350 0.000 0.000 0.292 66 T C 1.062 175.750 174.700 -0.020 0.000 1.055 66 T CA -0.791 61.297 62.100 -0.020 0.000 1.009 66 T CB 0.783 69.637 68.868 -0.024 0.000 1.118 66 T HN 0.385 nan 8.240 nan 0.000 0.497 67 I N 1.055 121.615 120.570 -0.016 0.000 2.226 67 I HA -0.098 4.072 4.170 0.000 0.000 0.245 67 I C 2.996 179.097 176.117 -0.027 0.000 1.100 67 I CA 1.568 62.857 61.300 -0.018 0.000 1.374 67 I CB -0.705 37.288 38.000 -0.013 0.000 1.057 67 I HN 0.898 nan 8.210 nan 0.000 0.413 68 A N 1.039 123.843 122.820 -0.027 0.000 1.883 68 A HA -0.150 4.170 4.320 0.000 0.000 0.217 68 A C 2.441 179.996 177.584 -0.048 0.000 1.186 68 A CA 2.033 54.051 52.037 -0.033 0.000 0.624 68 A CB -1.448 17.536 19.000 -0.028 0.000 0.822 68 A HN 0.455 nan 8.150 nan 0.000 0.444 69 G N -0.664 108.107 108.800 -0.049 0.000 2.421 69 G HA2 0.011 3.971 3.960 0.000 0.000 0.216 69 G HA3 0.011 3.971 3.960 0.000 0.000 0.216 69 G C 1.774 176.617 174.900 -0.094 0.000 1.171 69 G CA 1.556 46.616 45.100 -0.067 0.000 0.775 69 G HN 0.819 nan 8.290 nan 0.000 0.543 70 A N 0.516 123.291 122.820 -0.075 0.000 1.898 70 A HA 0.127 4.447 4.320 0.000 0.000 0.216 70 A C 2.446 179.965 177.584 -0.109 0.000 1.181 70 A CA 1.249 53.235 52.037 -0.086 0.000 0.620 70 A CB -0.400 18.578 19.000 -0.037 0.000 0.819 70 A HN 0.345 nan 8.150 nan 0.000 0.442 71 L N -0.669 120.508 121.223 -0.077 0.000 2.093 71 L HA -0.174 4.166 4.340 0.000 0.000 0.208 71 L C 2.364 179.169 176.870 -0.107 0.000 1.085 71 L CA 1.744 56.541 54.840 -0.072 0.000 0.755 71 L CB -0.662 41.376 42.059 -0.036 0.000 0.904 71 L HN 0.501 nan 8.230 nan 0.000 0.435 72 D N 0.394 120.726 120.400 -0.113 0.000 2.117 72 D HA -0.233 4.407 4.640 0.000 0.000 0.197 72 D C 2.119 178.290 176.300 -0.216 0.000 0.987 72 D CA 0.941 54.862 54.000 -0.132 0.000 0.829 72 D CB 0.101 40.835 40.800 -0.110 0.000 0.961 72 D HN 0.080 nan 8.370 nan 0.000 0.460 73 L N 0.189 121.236 121.223 -0.294 0.000 2.017 73 L HA -0.055 4.285 4.340 0.000 0.000 0.208 73 L C 2.163 178.672 176.870 -0.602 0.000 1.073 73 L CA 1.456 55.983 54.840 -0.522 0.000 0.745 73 L CB -0.661 41.028 42.059 -0.616 0.000 0.894 73 L HN 0.224 nan 8.230 nan 0.000 0.432 74 L N -0.401 120.596 121.223 -0.377 0.000 1.970 74 L HA -0.263 4.077 4.340 0.000 0.000 0.212 74 L C 2.882 179.622 176.870 -0.217 0.000 1.071 74 L CA 2.183 56.904 54.840 -0.199 0.000 0.751 74 L CB -0.576 41.432 42.059 -0.085 0.000 0.889 74 L HN 0.396 nan 8.230 nan 0.000 0.432 75 R N -0.289 120.062 120.500 -0.248 0.000 2.115 75 R HA -0.049 4.291 4.340 0.000 0.000 0.226 75 R C 1.992 178.161 176.300 -0.217 0.000 1.100 75 R CA 1.345 57.241 56.100 -0.340 0.000 0.980 75 R CB -0.763 29.388 30.300 -0.248 0.000 0.875 75 R HN 0.300 nan 8.270 nan 0.000 0.445 76 G N -0.709 107.978 108.800 -0.187 0.000 2.603 76 G HA2 -0.006 3.954 3.960 0.000 0.000 0.214 76 G HA3 -0.006 3.954 3.960 0.000 0.000 0.214 76 G C 0.770 175.580 174.900 -0.149 0.000 1.140 76 G CA 0.772 45.786 45.100 -0.144 0.000 0.800 76 G HN 0.370 nan 8.290 nan 0.000 0.533 77 T N -0.981 113.447 114.554 -0.210 0.000 3.358 77 T HA 0.212 4.562 4.350 0.000 0.000 0.263 77 T C 1.836 176.559 174.700 0.038 0.000 0.998 77 T CA -0.365 61.627 62.100 -0.181 0.000 1.130 77 T CB -0.202 68.376 68.868 -0.484 0.000 1.165 77 T HN 0.143 nan 8.240 nan 0.000 0.426 78 F N 1.659 121.532 119.950 -0.129 0.000 2.084 78 F HA 0.071 4.598 4.527 0.000 0.000 0.296 78 F C 2.291 178.060 175.800 -0.052 0.000 1.111 78 F CA 0.648 58.602 58.000 -0.077 0.000 1.224 78 F CB -0.239 38.712 39.000 -0.082 0.000 0.991 78 F HN 0.018 nan 8.300 nan 0.000 0.471 79 L N 0.003 121.293 121.223 0.112 0.000 2.046 79 L HA -0.153 4.187 4.340 0.000 0.000 0.208 79 L C -0.667 176.236 176.870 0.055 0.000 1.077 79 L CA 1.349 56.213 54.840 0.039 0.000 0.747 79 L CB -2.127 39.878 42.059 -0.091 0.000 0.896 79 L HN 0.044 nan 8.230 nan 0.000 0.432 80 P HA -0.151 nan 4.420 nan 0.000 0.219 80 P C 1.304 178.657 177.300 0.087 0.000 1.146 80 P CA 1.510 64.644 63.100 0.057 0.000 0.808 80 P CB 0.009 31.731 31.700 0.036 0.000 0.779 81 A N -0.718 122.171 122.820 0.116 0.000 2.119 81 A HA -0.074 4.246 4.320 0.000 0.000 0.217 81 A C 1.938 179.622 177.584 0.167 0.000 1.153 81 A CA 1.269 53.389 52.037 0.137 0.000 0.692 81 A CB -1.183 17.915 19.000 0.163 0.000 0.799 81 A HN 0.375 nan 8.150 nan 0.000 0.458 82 I N -4.749 115.922 120.570 0.168 0.000 4.244 82 I HA 0.340 4.510 4.170 0.000 0.000 0.318 82 I C 0.175 176.437 176.117 0.241 0.000 1.282 82 I CA -0.343 61.120 61.300 0.271 0.000 1.276 82 I CB -0.029 38.064 38.000 0.156 0.000 1.183 82 I HN -0.094 nan 8.210 nan 0.000 0.431 83 L N 3.745 125.060 121.223 0.153 0.000 2.513 83 L HA 0.277 4.617 4.340 0.000 0.000 0.272 83 L C 1.367 178.291 176.870 0.089 0.000 1.187 83 L CA 1.183 56.100 54.840 0.128 0.000 0.895 83 L CB 0.421 42.547 42.059 0.111 0.000 1.147 83 L HN 0.643 nan 8.230 nan 0.000 0.483 84 G N 1.655 110.500 108.800 0.074 0.000 2.179 84 G HA2 -0.207 3.753 3.960 0.000 0.000 0.260 84 G HA3 -0.207 3.753 3.960 0.000 0.000 0.260 84 G C 0.239 175.113 174.900 -0.044 0.000 0.977 84 G CA -0.350 44.763 45.100 0.022 0.000 0.641 84 G HN 0.513 nan 8.290 nan 0.000 0.533 85 Q N 0.366 120.125 119.800 -0.068 0.000 2.214 85 Q HA 0.660 5.000 4.340 0.000 0.000 0.251 85 Q C -0.171 175.502 176.000 -0.546 0.000 0.936 85 Q CA -0.008 55.598 55.803 -0.327 0.000 0.894 85 Q CB 1.515 30.015 28.738 -0.397 0.000 1.252 85 Q HN 0.207 nan 8.270 nan 0.000 0.448 86 T N 1.906 115.991 114.554 -0.783 0.000 2.797 86 T HA 0.689 5.039 4.350 0.000 0.000 0.279 86 T C -0.783 173.296 174.700 -1.034 0.000 0.991 86 T CA -0.284 61.413 62.100 -0.672 0.000 0.979 86 T CB 0.295 68.956 68.868 -0.346 0.000 0.943 86 T HN 0.249 nan 8.240 nan 0.000 0.444 87 F N 0.353 119.921 119.950 -0.637 0.000 2.576 87 F HA 0.594 5.121 4.527 0.000 0.000 0.313 87 F C 1.042 176.371 175.800 -0.784 0.000 1.078 87 F CA -1.236 56.303 58.000 -0.770 0.000 0.921 87 F CB 1.605 40.013 39.000 -0.987 0.000 1.232 87 F HN 0.646 nan 8.300 nan 0.000 0.459 88 A N 1.859 124.500 122.820 -0.298 0.000 1.930 88 A HA 0.110 4.430 4.320 0.000 0.000 0.215 88 A C 0.302 177.604 177.584 -0.469 0.000 1.176 88 A CA 1.514 53.400 52.037 -0.252 0.000 0.632 88 A CB -0.552 18.351 19.000 -0.163 0.000 0.819 88 A HN 0.837 nan 8.150 nan 0.000 0.445 89 N N -4.104 114.290 118.700 -0.510 0.000 3.106 89 N HA 0.343 5.083 4.740 0.000 0.000 0.253 89 N C -3.101 172.054 175.510 -0.591 0.000 1.506 89 N CA -1.527 50.998 53.050 -0.875 0.000 0.876 89 N CB 0.214 38.191 38.487 -0.850 0.000 1.452 89 N HN -0.277 nan 8.380 nan 0.000 0.542 90 P HA -0.007 nan 4.420 nan 0.000 0.220 90 P C 0.455 177.457 177.300 -0.497 0.000 1.148 90 P CA 1.250 63.889 63.100 -0.768 0.000 0.803 90 P CB 0.281 31.011 31.700 -1.618 0.000 0.782 91 E N -0.062 119.900 120.200 -0.396 0.000 2.077 91 E HA -0.122 4.228 4.350 0.000 0.000 0.193 91 E C 2.150 178.633 176.600 -0.194 0.000 0.989 91 E CA 1.489 57.773 56.400 -0.193 0.000 0.800 91 E CB -1.042 28.596 29.700 -0.103 0.000 0.746 91 E HN 0.143 nan 8.360 nan 0.000 0.452 92 A N 0.386 123.074 122.820 -0.219 0.000 1.969 92 A HA -0.122 4.198 4.320 0.000 0.000 0.218 92 A C 2.400 179.826 177.584 -0.263 0.000 1.169 92 A CA 1.086 53.048 52.037 -0.125 0.000 0.635 92 A CB -0.523 18.468 19.000 -0.015 0.000 0.810 92 A HN 0.143 nan 8.150 nan 0.000 0.445 93 V N -0.231 119.324 119.914 -0.598 0.000 2.261 93 V HA -0.222 3.898 4.120 0.000 0.000 0.246 93 V C 2.787 178.586 176.094 -0.491 0.000 1.047 93 V CA 2.368 64.096 62.300 -0.954 0.000 1.015 93 V CB -0.899 30.452 31.823 -0.787 0.000 0.642 93 V HN 0.554 nan 8.190 nan 0.000 0.446 94 S N -0.185 115.317 115.700 -0.330 0.000 2.370 94 S HA -0.275 4.195 4.470 0.000 0.000 0.226 94 S C 1.822 176.315 174.600 -0.179 0.000 1.033 94 S CA 1.877 59.937 58.200 -0.234 0.000 1.011 94 S CB -0.490 62.624 63.200 -0.144 0.000 0.852 94 S HN 0.786 nan 8.310 nan 0.000 0.457 95 D N 1.434 121.751 120.400 -0.137 0.000 2.149 95 D HA -0.060 4.580 4.640 0.000 0.000 0.198 95 D C 1.765 178.035 176.300 -0.051 0.000 0.990 95 D CA 1.183 55.138 54.000 -0.075 0.000 0.839 95 D CB -0.233 40.538 40.800 -0.048 0.000 0.948 95 D HN 0.359 nan 8.370 nan 0.000 0.460 96 A N -0.304 122.486 122.820 -0.051 0.000 2.168 96 A HA 0.062 4.382 4.320 0.000 0.000 0.215 96 A C 2.156 179.748 177.584 0.013 0.000 1.152 96 A CA 0.321 52.377 52.037 0.033 0.000 0.716 96 A CB -0.510 18.597 19.000 0.177 0.000 0.794 96 A HN 0.370 nan 8.150 nan 0.000 0.465 97 L N -1.298 119.879 121.223 -0.077 0.000 2.217 97 L HA 0.172 4.512 4.340 0.000 0.000 0.211 97 L C 1.497 178.459 176.870 0.153 0.000 1.107 97 L CA 0.636 55.434 54.840 -0.070 0.000 0.783 97 L CB -0.945 40.836 42.059 -0.463 0.000 0.919 97 L HN 0.616 nan 8.230 nan 0.000 0.442 98 G N -0.777 108.057 108.800 0.057 0.000 2.610 98 G HA2 -0.226 3.734 3.960 0.000 0.000 0.304 98 G HA3 -0.226 3.734 3.960 0.000 0.000 0.304 98 G C 0.170 175.023 174.900 -0.079 0.000 1.309 98 G CA -0.219 44.878 45.100 -0.006 0.000 0.906 98 G HN -0.033 nan 8.290 nan 0.000 0.521 99 S N 0.035 115.569 115.700 -0.276 0.000 2.631 99 S HA 0.264 4.734 4.470 0.000 0.000 0.217 99 S C 0.710 175.208 174.600 -0.170 0.000 0.958 99 S CA 0.080 58.161 58.200 -0.198 0.000 0.920 99 S CB -0.284 62.806 63.200 -0.183 0.000 0.776 99 S HN 0.438 nan 8.310 nan 0.000 0.517 100 Y N 2.665 123.019 120.300 0.090 0.000 2.903 100 Y HA -0.041 4.509 4.550 0.000 0.000 0.338 100 Y C 1.185 177.141 175.900 0.093 0.000 1.265 100 Y CA 0.161 58.325 58.100 0.106 0.000 1.532 100 Y CB 0.231 38.798 38.460 0.179 0.000 1.293 100 Y HN 0.013 nan 8.280 nan 0.000 0.609 101 R N 1.928 122.561 120.500 0.222 0.000 2.368 101 R HA 0.435 4.775 4.340 0.000 0.000 0.302 101 R C 0.864 177.246 176.300 0.136 0.000 1.002 101 R CA 0.117 56.299 56.100 0.136 0.000 0.929 101 R CB 1.156 31.511 30.300 0.092 0.000 1.073 101 R HN 0.983 nan 8.270 nan 0.000 0.464 102 G N 2.737 111.604 108.800 0.112 0.000 2.574 102 G HA2 -0.417 3.543 3.960 0.000 0.000 0.286 102 G HA3 -0.417 3.543 3.960 0.000 0.000 0.286 102 G C -0.210 174.765 174.900 0.126 0.000 1.212 102 G CA 0.172 45.335 45.100 0.104 0.000 0.979 102 G HN 0.871 nan 8.290 nan 0.000 0.557 103 N N 0.021 118.783 118.700 0.104 0.000 2.699 103 N HA -0.209 4.531 4.740 0.000 0.000 0.256 103 N C 1.611 177.203 175.510 0.137 0.000 0.993 103 N CA 1.143 54.257 53.050 0.105 0.000 0.759 103 N CB -0.161 38.384 38.487 0.097 0.000 0.906 103 N HN 0.613 nan 8.380 nan 0.000 0.541 104 R N 0.480 121.041 120.500 0.102 0.000 2.073 104 R HA -0.000 4.340 4.340 0.000 0.000 0.234 104 R C 2.232 178.572 176.300 0.068 0.000 1.134 104 R CA 1.162 57.311 56.100 0.082 0.000 0.952 104 R CB -0.229 30.109 30.300 0.063 0.000 0.850 104 R HN 0.486 nan 8.270 nan 0.000 0.433 105 M N 0.331 119.967 119.600 0.061 0.000 2.108 105 M HA -0.146 4.334 4.480 0.000 0.000 0.261 105 M C 2.541 178.872 176.300 0.053 0.000 1.066 105 M CA 1.944 57.268 55.300 0.039 0.000 1.107 105 M CB -0.541 32.081 32.600 0.036 0.000 1.356 105 M HN 0.171 nan 8.290 nan 0.000 0.406 106 A N 0.786 123.660 122.820 0.091 0.000 1.865 106 A HA -0.203 4.117 4.320 0.000 0.000 0.217 106 A C 2.158 179.895 177.584 0.254 0.000 1.191 106 A CA 1.869 53.996 52.037 0.151 0.000 0.623 106 A CB -0.759 18.321 19.000 0.132 0.000 0.826 106 A HN 0.450 nan 8.150 nan 0.000 0.444 107 R N -0.615 120.043 120.500 0.263 0.000 2.103 107 R HA -0.160 4.180 4.340 0.000 0.000 0.242 107 R C 2.460 178.749 176.300 -0.018 0.000 1.142 107 R CA 1.308 57.431 56.100 0.038 0.000 0.960 107 R CB -0.571 29.712 30.300 -0.027 0.000 0.858 107 R HN 0.542 nan 8.270 nan 0.000 0.439 108 A N 1.162 123.986 122.820 0.005 0.000 1.940 108 A HA -0.192 4.129 4.320 0.000 0.000 0.219 108 A C 2.202 179.757 177.584 -0.048 0.000 1.176 108 A CA 1.465 53.480 52.037 -0.037 0.000 0.631 108 A CB -0.448 18.517 19.000 -0.058 0.000 0.814 108 A HN 0.206 nan 8.150 nan 0.000 0.446 109 M N -0.776 118.812 119.600 -0.019 0.000 2.082 109 M HA -0.180 4.300 4.480 0.000 0.000 0.258 109 M C 2.129 178.423 176.300 -0.010 0.000 1.069 109 M CA 1.817 57.104 55.300 -0.022 0.000 1.102 109 M CB -0.587 32.021 32.600 0.013 0.000 1.336 109 M HN 0.277 nan 8.290 nan 0.000 0.404 110 V N -0.102 119.812 119.914 0.000 0.000 2.307 110 V HA -0.226 3.894 4.120 0.000 0.000 0.245 110 V C 2.422 178.491 176.094 -0.043 0.000 1.045 110 V CA 1.854 64.138 62.300 -0.028 0.000 1.024 110 V CB -0.809 30.964 31.823 -0.082 0.000 0.651 110 V HN 0.485 nan 8.190 nan 0.000 0.449 111 E N 0.054 120.226 120.200 -0.047 0.000 2.051 111 E HA -0.232 4.118 4.350 0.000 0.000 0.192 111 E C 2.194 178.902 176.600 0.180 0.000 0.991 111 E CA 1.840 58.248 56.400 0.013 0.000 0.799 111 E CB -0.136 29.586 29.700 0.038 0.000 0.748 111 E HN 0.572 nan 8.360 nan 0.000 0.449 112 M N -0.190 119.493 119.600 0.137 0.000 2.200 112 M HA -0.066 4.415 4.480 0.000 0.000 0.265 112 M C 2.418 178.883 176.300 0.276 0.000 1.066 112 M CA 1.260 56.696 55.300 0.226 0.000 1.127 112 M CB -0.151 32.328 32.600 -0.200 0.000 1.379 112 M HN 0.084 nan 8.290 nan 0.000 0.420 113 A N 0.653 123.542 122.820 0.115 0.000 1.902 113 A HA -0.066 4.254 4.320 0.000 0.000 0.217 113 A C 2.380 180.023 177.584 0.098 0.000 1.181 113 A CA 1.920 54.024 52.037 0.111 0.000 0.623 113 A CB -0.916 18.109 19.000 0.042 0.000 0.818 113 A HN 0.486 nan 8.150 nan 0.000 0.443 114 A N -1.773 121.080 122.820 0.054 0.000 1.972 114 A HA -0.137 4.183 4.320 0.000 0.000 0.219 114 A C 1.945 179.484 177.584 -0.075 0.000 1.169 114 A CA 1.252 53.265 52.037 -0.040 0.000 0.635 114 A CB -0.791 18.140 19.000 -0.116 0.000 0.810 114 A HN 0.754 nan 8.150 nan 0.000 0.446 115 W N -0.185 121.167 121.300 0.087 0.000 2.381 115 W HA -0.088 4.572 4.660 0.000 0.000 0.301 115 W C 2.041 178.600 176.519 0.068 0.000 1.205 115 W CA 1.178 58.605 57.345 0.136 0.000 1.285 115 W CB -0.072 29.506 29.460 0.197 0.000 1.133 115 W HN 0.445 nan 8.180 nan 0.000 0.521 116 D N 0.028 120.605 120.400 0.295 0.000 2.097 116 D HA -0.189 4.451 4.640 0.000 0.000 0.197 116 D C 2.052 178.354 176.300 0.004 0.000 0.984 116 D CA 1.280 55.340 54.000 0.100 0.000 0.826 116 D CB -0.463 40.408 40.800 0.118 0.000 0.973 116 D HN -0.009 nan 8.370 nan 0.000 0.460 117 L N 0.674 121.884 121.223 -0.023 0.000 1.989 117 L HA -0.113 4.227 4.340 0.000 0.000 0.211 117 L C 2.236 178.983 176.870 -0.204 0.000 1.071 117 L CA 1.927 56.698 54.840 -0.116 0.000 0.749 117 L CB -0.976 41.003 42.059 -0.133 0.000 0.890 117 L HN 0.404 nan 8.230 nan 0.000 0.431 118 W N 0.269 121.243 121.300 -0.543 0.000 2.338 118 W HA -0.270 4.390 4.660 0.000 0.000 0.304 118 W C 2.046 178.411 176.519 -0.257 0.000 1.212 118 W CA 1.708 58.685 57.345 -0.614 0.000 1.264 118 W CB -0.212 28.845 29.460 -0.672 0.000 1.142 118 W HN 0.365 nan 8.180 nan 0.000 0.512 119 A N 1.199 123.881 122.820 -0.230 0.000 1.969 119 A HA -0.154 4.166 4.320 0.000 0.000 0.218 119 A C 2.011 179.435 177.584 -0.268 0.000 1.169 119 A CA 1.488 53.341 52.037 -0.306 0.000 0.635 119 A CB -0.755 18.176 19.000 -0.115 0.000 0.810 119 A HN 0.404 nan 8.150 nan 0.000 0.445 120 R N -0.495 119.890 120.500 -0.192 0.000 2.115 120 R HA -0.073 4.267 4.340 0.000 0.000 0.226 120 R C 2.359 178.567 176.300 -0.152 0.000 1.100 120 R CA 1.638 57.650 56.100 -0.148 0.000 0.980 120 R CB -0.584 29.655 30.300 -0.101 0.000 0.875 120 R HN 0.735 nan 8.270 nan 0.000 0.445 121 T N -1.022 113.419 114.554 -0.188 0.000 2.951 121 T HA -0.004 4.346 4.350 0.000 0.000 0.268 121 T C 1.808 176.384 174.700 -0.207 0.000 1.073 121 T CA 0.794 62.805 62.100 -0.149 0.000 1.134 121 T CB -0.061 68.752 68.868 -0.092 0.000 0.884 121 T HN 0.132 nan 8.240 nan 0.000 0.479 122 L N 0.233 121.252 121.223 -0.340 0.000 2.375 122 L HA 0.367 4.707 4.340 0.000 0.000 0.215 122 L C 2.154 178.900 176.870 -0.206 0.000 1.108 122 L CA 0.511 55.153 54.840 -0.329 0.000 0.830 122 L CB -0.615 41.135 42.059 -0.516 0.000 0.959 122 L HN 0.570 nan 8.230 nan 0.000 0.457 123 G N 0.855 109.548 108.800 -0.179 0.000 2.147 123 G HA2 -0.225 3.735 3.960 0.000 0.000 0.244 123 G HA3 -0.225 3.735 3.960 0.000 0.000 0.244 123 G C -0.024 174.806 174.900 -0.117 0.000 1.005 123 G CA 0.115 45.142 45.100 -0.122 0.000 0.713 123 G HN 0.124 nan 8.290 nan 0.000 0.515 124 V N 0.554 120.377 119.914 -0.152 0.000 2.581 124 V HA 0.560 4.680 4.120 0.000 0.000 0.303 124 V C -1.791 174.234 176.094 -0.116 0.000 1.041 124 V CA -2.018 60.209 62.300 -0.121 0.000 0.907 124 V CB 2.049 33.791 31.823 -0.135 0.000 0.994 124 V HN 0.067 nan 8.190 nan 0.000 0.442 125 P HA 0.031 nan 4.420 nan 0.000 0.266 125 P C 0.576 177.792 177.300 -0.140 0.000 1.195 125 P CA -0.082 62.972 63.100 -0.076 0.000 0.768 125 P CB 0.604 32.331 31.700 0.045 0.000 0.838 126 L N 4.693 125.708 121.223 -0.347 0.000 1.994 126 L HA -0.086 4.254 4.340 0.000 0.000 0.208 126 L C 2.317 179.040 176.870 -0.245 0.000 1.071 126 L CA 2.719 57.345 54.840 -0.356 0.000 0.745 126 L CB -1.790 39.898 42.059 -0.620 0.000 0.892 126 L HN 0.517 nan 8.230 nan 0.000 0.431 127 G N -1.633 107.130 108.800 -0.061 0.000 2.547 127 G HA2 -0.352 3.608 3.960 0.000 0.000 0.221 127 G HA3 -0.352 3.608 3.960 0.000 0.000 0.221 127 G C 1.471 176.345 174.900 -0.044 0.000 1.140 127 G CA 1.532 46.630 45.100 -0.003 0.000 0.760 127 G HN 0.479 nan 8.290 nan 0.000 0.583 128 T N 0.942 115.494 114.554 -0.003 0.000 2.777 128 T HA 0.018 4.368 4.350 0.000 0.000 0.266 128 T C 2.384 177.091 174.700 0.011 0.000 1.040 128 T CA 0.850 62.958 62.100 0.012 0.000 1.141 128 T CB -0.168 68.708 68.868 0.013 0.000 0.868 128 T HN 0.178 nan 8.240 nan 0.000 0.444 129 L N 0.502 121.727 121.223 0.003 0.000 2.275 129 L HA 0.080 4.421 4.340 0.000 0.000 0.215 129 L C 1.918 178.815 176.870 0.045 0.000 1.119 129 L CA 0.778 55.668 54.840 0.085 0.000 0.790 129 L CB -0.373 41.810 42.059 0.207 0.000 0.919 129 L HN 0.273 nan 8.230 nan 0.000 0.443 130 L N -0.989 120.162 121.223 -0.119 0.000 2.558 130 L HA 0.195 4.535 4.340 0.000 0.000 0.225 130 L C 1.471 178.289 176.870 -0.086 0.000 1.128 130 L CA 0.630 55.353 54.840 -0.194 0.000 0.868 130 L CB -0.157 41.676 42.059 -0.377 0.000 1.006 130 L HN 0.412 nan 8.230 nan 0.000 0.454 131 G N -0.335 108.451 108.800 -0.022 0.000 2.184 131 G HA2 -0.188 3.772 3.960 0.000 0.000 0.206 131 G HA3 -0.188 3.772 3.960 0.000 0.000 0.206 131 G C 0.499 175.432 174.900 0.056 0.000 0.995 131 G CA -0.381 44.741 45.100 0.037 0.000 0.651 131 G HN 0.468 nan 8.290 nan 0.000 0.511 132 G N -0.227 108.561 108.800 -0.019 0.000 2.415 132 G HA2 0.600 4.560 3.960 0.000 0.000 0.269 132 G HA3 0.600 4.560 3.960 0.000 0.000 0.269 132 G C 0.117 175.017 174.900 0.001 0.000 1.209 132 G CA 0.239 45.291 45.100 -0.079 0.000 0.835 132 G HN 1.212 nan 8.290 nan 0.000 0.534 133 H N -1.176 117.891 119.070 -0.005 0.000 2.865 133 H HA 0.355 4.911 4.556 0.000 0.000 0.247 133 H C 0.307 175.630 175.328 -0.008 0.000 1.181 133 H CA -0.693 55.352 56.048 -0.006 0.000 0.975 133 H CB 0.065 29.830 29.762 0.005 0.000 1.899 133 H HN 0.295 nan 8.280 nan 0.000 0.651 134 K N 1.009 121.329 120.400 -0.134 0.000 2.202 134 K HA 0.117 4.437 4.320 0.000 0.000 0.264 134 K C 0.089 176.658 176.600 -0.052 0.000 1.010 134 K CA -0.090 56.152 56.287 -0.074 0.000 0.940 134 K CB 1.351 33.795 32.500 -0.093 0.000 0.983 134 K HN 0.459 nan 8.250 nan 0.000 0.475 135 E N 0.726 120.905 120.200 -0.034 0.000 2.447 135 E HA -0.044 4.306 4.350 0.000 0.000 0.204 135 E C -0.093 176.470 176.600 -0.061 0.000 0.977 135 E CA 0.147 56.521 56.400 -0.043 0.000 0.950 135 E CB 0.678 30.367 29.700 -0.018 0.000 0.975 135 E HN 0.486 nan 8.360 nan 0.000 0.496 136 Q N 0.347 120.114 119.800 -0.055 0.000 2.418 136 Q HA 0.501 4.842 4.340 0.000 0.000 0.282 136 Q C -0.822 175.150 176.000 -0.047 0.000 1.044 136 Q CA -0.984 54.786 55.803 -0.056 0.000 0.813 136 Q CB 2.137 30.853 28.738 -0.037 0.000 1.428 136 Q HN -0.026 nan 8.270 nan 0.000 0.402 137 V N -2.022 117.866 119.914 -0.043 0.000 2.680 137 V HA 0.572 4.693 4.120 0.000 0.000 0.309 137 V C -0.421 175.682 176.094 0.014 0.000 1.052 137 V CA -0.858 61.429 62.300 -0.021 0.000 0.908 137 V CB 1.762 33.552 31.823 -0.055 0.000 1.001 137 V HN 0.854 nan 8.190 nan 0.000 0.431 138 E N 2.350 122.576 120.200 0.042 0.000 2.338 138 E HA 0.532 4.882 4.350 0.000 0.000 0.272 138 E C -0.426 176.227 176.600 0.088 0.000 1.029 138 E CA -0.377 56.056 56.400 0.055 0.000 0.872 138 E CB 1.914 31.649 29.700 0.058 0.000 1.015 138 E HN 0.943 nan 8.360 nan 0.000 0.417 139 V N -0.632 119.345 119.914 0.105 0.000 2.876 139 V HA 0.864 4.984 4.120 0.000 0.000 0.312 139 V C 0.083 176.302 176.094 0.209 0.000 1.085 139 V CA -0.686 61.709 62.300 0.160 0.000 0.945 139 V CB 1.719 33.663 31.823 0.201 0.000 1.017 139 V HN 0.699 nan 8.190 nan 0.000 0.428 140 G N 1.481 110.350 108.800 0.115 0.000 2.938 140 G HA2 0.823 4.783 3.960 0.000 0.000 0.258 140 G HA3 0.823 4.783 3.960 0.000 0.000 0.258 140 G C -0.636 174.154 174.900 -0.184 0.000 1.356 140 G CA -0.350 44.765 45.100 0.026 0.000 1.052 140 G HN 1.804 nan 8.290 nan 0.000 0.550 141 V N -1.662 118.029 119.914 -0.372 0.000 2.876 141 V HA 0.781 4.901 4.120 0.000 0.000 0.312 141 V C -0.163 175.723 176.094 -0.346 0.000 1.085 141 V CA -0.860 61.131 62.300 -0.516 0.000 0.945 141 V CB 1.307 32.574 31.823 -0.926 0.000 1.017 141 V HN 1.085 nan 8.190 nan 0.000 0.428 142 S N 3.833 119.380 115.700 -0.256 0.000 2.437 142 S HA 0.817 5.287 4.470 0.000 0.000 0.305 142 S C -0.712 173.770 174.600 -0.196 0.000 1.109 142 S CA -0.708 57.392 58.200 -0.167 0.000 1.099 142 S CB 1.000 64.178 63.200 -0.037 0.000 1.004 142 S HN 0.731 nan 8.310 nan 0.000 0.475 143 L N 3.365 124.485 121.223 -0.171 0.000 2.307 143 L HA 0.617 4.957 4.340 0.000 0.000 0.284 143 L C 1.258 178.096 176.870 -0.053 0.000 1.023 143 L CA -0.968 53.786 54.840 -0.143 0.000 0.810 143 L CB 1.172 43.148 42.059 -0.138 0.000 1.231 143 L HN 0.959 nan 8.230 nan 0.000 0.423 144 G N 2.772 111.550 108.800 -0.037 0.000 2.661 144 G HA2 0.091 4.051 3.960 0.000 0.000 0.272 144 G HA3 0.091 4.051 3.960 0.000 0.000 0.272 144 G C 0.078 175.002 174.900 0.039 0.000 1.296 144 G CA -0.565 44.539 45.100 0.006 0.000 0.998 144 G HN 0.413 nan 8.290 nan 0.000 0.553 145 I N 0.088 120.695 120.570 0.061 0.000 2.588 145 I HA 0.145 4.315 4.170 0.000 0.000 0.283 145 I C 0.133 176.313 176.117 0.105 0.000 1.119 145 I CA -0.024 61.343 61.300 0.112 0.000 1.419 145 I CB 1.299 39.367 38.000 0.114 0.000 1.394 145 I HN 0.387 nan 8.210 nan 0.000 0.562 146 Q N 4.754 124.672 119.800 0.196 0.000 2.282 146 Q HA 0.511 4.851 4.340 0.000 0.000 0.260 146 Q C 0.482 176.498 176.000 0.026 0.000 0.964 146 Q CA -0.271 55.629 55.803 0.161 0.000 0.880 146 Q CB 1.903 30.787 28.738 0.243 0.000 1.286 146 Q HN 0.704 nan 8.270 nan 0.000 0.445 147 A N 3.421 126.206 122.820 -0.058 0.000 2.067 147 A HA 0.056 4.376 4.320 0.000 0.000 0.219 147 A C 0.158 177.568 177.584 -0.290 0.000 1.158 147 A CA 1.740 53.663 52.037 -0.191 0.000 0.661 147 A CB -0.233 18.699 19.000 -0.113 0.000 0.801 147 A HN 0.835 nan 8.150 nan 0.000 0.452 148 D N -4.604 115.731 120.400 -0.109 0.000 2.769 148 D HA -0.012 4.628 4.640 0.000 0.000 0.309 148 D C -0.312 176.168 176.300 0.300 0.000 1.315 148 D CA -0.019 53.946 54.000 -0.059 0.000 0.780 148 D CB 0.069 40.797 40.800 -0.122 0.000 1.312 148 D HN -0.150 nan 8.370 nan 0.000 0.437 149 c N 0.281 119.121 118.600 0.400 0.000 2.526 149 c HA 0.145 4.715 4.570 0.000 0.000 0.286 149 c C 1.482 175.668 174.090 0.159 0.000 1.416 149 c CA 0.935 57.465 56.329 0.335 0.000 1.671 149 c CB -2.001 40.702 42.510 0.322 0.000 1.650 149 c HN 0.456 nan 8.230 nan 0.000 0.590 150 Q N -0.716 119.158 119.800 0.124 0.000 2.534 150 Q HA 0.337 4.677 4.340 0.000 0.000 0.252 150 Q C 2.062 178.110 176.000 0.081 0.000 0.850 150 Q CA 1.070 56.920 55.803 0.079 0.000 0.974 150 Q CB -0.357 28.409 28.738 0.047 0.000 1.205 150 Q HN 0.380 nan 8.270 nan 0.000 0.593 151 A N -0.099 122.767 122.820 0.077 0.000 1.933 151 A HA -0.165 4.155 4.320 0.000 0.000 0.218 151 A C 2.108 179.749 177.584 0.096 0.000 1.175 151 A CA 2.099 54.176 52.037 0.067 0.000 0.628 151 A CB -1.059 17.967 19.000 0.043 0.000 0.814 151 A HN 0.443 nan 8.150 nan 0.000 0.444 152 T N -0.204 114.434 114.554 0.139 0.000 2.622 152 T HA -0.155 4.195 4.350 0.000 0.000 0.266 152 T C 1.794 176.573 174.700 0.132 0.000 1.047 152 T CA 1.815 64.003 62.100 0.147 0.000 1.159 152 T CB -0.551 68.431 68.868 0.190 0.000 0.863 152 T HN 0.142 nan 8.240 nan 0.000 0.422 153 V N 1.855 121.858 119.914 0.148 0.000 2.828 153 V HA -0.147 3.973 4.120 0.000 0.000 0.260 153 V C 2.042 178.292 176.094 0.261 0.000 1.101 153 V CA 1.519 63.951 62.300 0.220 0.000 1.123 153 V CB -0.506 31.400 31.823 0.138 0.000 0.704 153 V HN 0.501 nan 8.190 nan 0.000 0.493 154 D N -0.881 119.611 120.400 0.153 0.000 2.338 154 D HA 0.024 4.664 4.640 0.000 0.000 0.224 154 D C 1.893 178.240 176.300 0.078 0.000 0.967 154 D CA 0.438 54.508 54.000 0.118 0.000 0.896 154 D CB 0.359 41.201 40.800 0.070 0.000 1.028 154 D HN 0.381 nan 8.370 nan 0.000 0.493 155 L N 1.250 122.515 121.223 0.069 0.000 2.141 155 L HA -0.098 4.242 4.340 0.000 0.000 0.209 155 L C 2.149 179.083 176.870 0.106 0.000 1.094 155 L CA 1.098 55.973 54.840 0.060 0.000 0.763 155 L CB -0.216 41.889 42.059 0.076 0.000 0.908 155 L HN -0.191 nan 8.230 nan 0.000 0.437 156 V N 0.053 120.011 119.914 0.073 0.000 2.237 156 V HA -0.325 3.795 4.120 0.000 0.000 0.245 156 V C 2.748 178.769 176.094 -0.121 0.000 1.046 156 V CA 2.194 64.479 62.300 -0.025 0.000 1.007 156 V CB -0.722 31.029 31.823 -0.120 0.000 0.638 156 V HN 0.558 nan 8.190 nan 0.000 0.445 157 R N 0.050 120.529 120.500 -0.035 0.000 2.119 157 R HA -0.235 4.105 4.340 0.000 0.000 0.246 157 R C 2.480 178.772 176.300 -0.012 0.000 1.146 157 R CA 1.930 58.079 56.100 0.083 0.000 0.962 157 R CB -0.261 30.234 30.300 0.325 0.000 0.863 157 R HN 0.447 nan 8.270 nan 0.000 0.442 158 R N -0.936 119.518 120.500 -0.077 0.000 2.127 158 R HA -0.153 4.187 4.340 0.000 0.000 0.238 158 R C 1.923 178.062 176.300 -0.268 0.000 1.134 158 R CA 1.879 57.860 56.100 -0.199 0.000 0.975 158 R CB -0.437 29.670 30.300 -0.321 0.000 0.865 158 R HN 0.574 nan 8.270 nan 0.000 0.447 159 H N -0.703 118.354 119.070 -0.022 0.000 2.465 159 H HA 0.051 4.607 4.556 0.000 0.000 0.289 159 H C 2.079 177.442 175.328 0.058 0.000 1.022 159 H CA 0.574 56.655 56.048 0.055 0.000 1.340 159 H CB 0.276 30.004 29.762 -0.056 0.000 1.437 159 H HN -0.122 nan 8.280 nan 0.000 0.539 160 V N 0.881 120.792 119.914 -0.005 0.000 2.515 160 V HA -0.190 3.930 4.120 0.000 0.000 0.250 160 V C 1.834 177.926 176.094 -0.003 0.000 1.058 160 V CA 1.680 63.941 62.300 -0.066 0.000 1.064 160 V CB -0.262 31.386 31.823 -0.291 0.000 0.675 160 V HN 0.483 nan 8.190 nan 0.000 0.461 161 E N -0.340 119.862 120.200 0.004 0.000 2.265 161 E HA -0.195 4.155 4.350 0.000 0.000 0.196 161 E C 2.029 178.619 176.600 -0.016 0.000 0.996 161 E CA 0.688 57.091 56.400 0.005 0.000 0.832 161 E CB -0.010 29.688 29.700 -0.002 0.000 0.756 161 E HN 0.525 nan 8.360 nan 0.000 0.491 162 Q N -0.860 118.936 119.800 -0.006 0.000 2.403 162 Q HA 0.057 4.397 4.340 0.000 0.000 0.203 162 Q C 1.118 177.014 176.000 -0.174 0.000 0.932 162 Q CA 0.714 56.477 55.803 -0.067 0.000 0.945 162 Q CB 1.143 29.880 28.738 -0.001 0.000 1.045 162 Q HN 0.403 nan 8.270 nan 0.000 0.511 163 G N 0.509 109.251 108.800 -0.096 0.000 2.136 163 G HA2 -0.309 3.651 3.960 0.000 0.000 0.242 163 G HA3 -0.309 3.651 3.960 0.000 0.000 0.242 163 G C -0.253 174.567 174.900 -0.134 0.000 0.989 163 G CA -0.183 44.849 45.100 -0.113 0.000 0.682 163 G HN 0.354 nan 8.290 nan 0.000 0.522 164 Y N 0.275 120.563 120.300 -0.019 0.000 2.620 164 Y HA 0.242 4.792 4.550 0.000 0.000 0.330 164 Y C 2.099 177.968 175.900 -0.051 0.000 1.186 164 Y CA 0.335 58.418 58.100 -0.029 0.000 1.467 164 Y CB 0.474 38.918 38.460 -0.028 0.000 1.262 164 Y HN 0.137 nan 8.280 nan 0.000 0.550 165 R N 1.766 122.338 120.500 0.121 0.000 2.297 165 R HA 0.101 4.441 4.340 0.000 0.000 0.197 165 R C 0.363 176.660 176.300 -0.005 0.000 0.943 165 R CA 0.226 56.348 56.100 0.037 0.000 1.038 165 R CB 0.365 30.681 30.300 0.027 0.000 0.957 165 R HN 0.400 nan 8.270 nan 0.000 0.484 166 R N 1.194 121.682 120.500 -0.020 0.000 2.584 166 R HA 0.238 4.578 4.340 0.000 0.000 0.276 166 R C -1.671 174.544 176.300 -0.142 0.000 1.046 166 R CA -0.559 55.476 56.100 -0.108 0.000 0.906 166 R CB 1.450 31.649 30.300 -0.169 0.000 1.215 166 R HN -0.092 nan 8.270 nan 0.000 0.449 167 I N 4.089 124.554 120.570 -0.175 0.000 2.321 167 I HA 0.362 4.532 4.170 0.000 0.000 0.291 167 I C 0.298 176.285 176.117 -0.217 0.000 0.998 167 I CA -0.484 60.694 61.300 -0.202 0.000 1.227 167 I CB 1.325 39.206 38.000 -0.198 0.000 1.368 167 I HN 0.421 nan 8.210 nan 0.000 0.466 168 K N 7.770 128.042 120.400 -0.213 0.000 2.244 168 K HA 0.641 4.961 4.320 0.000 0.000 0.260 168 K C -1.539 174.989 176.600 -0.120 0.000 0.951 168 K CA -0.577 55.607 56.287 -0.171 0.000 0.826 168 K CB 1.478 33.894 32.500 -0.140 0.000 1.108 168 K HN 0.523 nan 8.250 nan 0.000 0.433 169 L N 4.194 125.366 121.223 -0.086 0.000 2.322 169 L HA 0.442 4.782 4.340 0.000 0.000 0.281 169 L C 0.262 177.139 176.870 0.011 0.000 1.014 169 L CA -0.971 53.844 54.840 -0.042 0.000 0.815 169 L CB 1.612 43.638 42.059 -0.055 0.000 1.247 169 L HN 0.512 nan 8.230 nan 0.000 0.421 170 K N 3.750 124.176 120.400 0.042 0.000 2.414 170 K HA 0.378 4.698 4.320 0.000 0.000 0.272 170 K C -0.347 176.314 176.600 0.101 0.000 0.993 170 K CA 0.221 56.559 56.287 0.085 0.000 0.964 170 K CB 0.826 33.379 32.500 0.089 0.000 0.925 170 K HN 0.553 nan 8.250 nan 0.000 0.487 171 I N -1.523 119.129 120.570 0.136 0.000 3.264 171 I HA 0.671 4.841 4.170 0.000 0.000 0.315 171 I C -1.549 174.687 176.117 0.198 0.000 1.154 171 I CA -1.230 60.166 61.300 0.161 0.000 0.962 171 I CB 2.360 40.441 38.000 0.136 0.000 1.265 171 I HN 0.465 nan 8.210 nan 0.000 0.463 172 K N -0.130 120.402 120.400 0.220 0.000 2.658 172 K HA 0.637 4.957 4.320 0.000 0.000 0.293 172 K C -3.318 173.402 176.600 0.200 0.000 1.026 172 K CA -1.397 54.962 56.287 0.119 0.000 0.871 172 K CB 0.210 32.736 32.500 0.043 0.000 1.524 172 K HN 0.378 nan 8.250 nan 0.000 0.400 173 P HA 0.261 nan 4.420 nan 0.000 0.288 173 P C -0.137 177.243 177.300 0.134 0.000 1.267 173 P CA -0.478 62.727 63.100 0.175 0.000 0.815 173 P CB 1.282 33.086 31.700 0.173 0.000 0.989 174 G N 1.649 110.550 108.800 0.167 0.000 3.782 174 G HA2 0.062 4.022 3.960 0.000 0.000 0.288 174 G HA3 0.062 4.022 3.960 0.000 0.000 0.288 174 G C -0.634 174.457 174.900 0.318 0.000 1.300 174 G CA -0.358 44.863 45.100 0.201 0.000 1.261 174 G HN 0.552 nan 8.290 nan 0.000 0.591 175 W N 2.177 123.512 121.300 0.059 0.000 2.374 175 W HA 0.316 4.976 4.660 0.000 0.000 0.302 175 W C -0.735 175.829 176.519 0.075 0.000 0.942 175 W CA -0.752 56.623 57.345 0.050 0.000 1.666 175 W CB 0.883 30.363 29.460 0.032 0.000 1.593 175 W HN 0.529 nan 8.180 nan 0.000 0.412 176 D N -0.049 120.269 120.400 -0.137 0.000 2.259 176 D HA -0.042 4.598 4.640 0.000 0.000 0.301 176 D C 1.481 177.626 176.300 -0.259 0.000 1.149 176 D CA 0.156 54.071 54.000 -0.143 0.000 1.012 176 D CB 0.122 40.959 40.800 0.062 0.000 1.797 176 D HN 0.024 nan 8.370 nan 0.000 0.513 177 V N 0.602 120.399 119.914 -0.195 0.000 2.488 177 V HA -0.121 3.999 4.120 0.000 0.000 0.246 177 V C 2.140 178.075 176.094 -0.264 0.000 1.046 177 V CA 1.691 63.904 62.300 -0.145 0.000 1.053 177 V CB -0.629 31.175 31.823 -0.032 0.000 0.679 177 V HN 0.038 nan 8.190 nan 0.000 0.458 178 Q N -0.016 119.546 119.800 -0.397 0.000 2.049 178 Q HA -0.049 4.291 4.340 0.000 0.000 0.198 178 Q C -0.038 175.648 176.000 -0.524 0.000 0.971 178 Q CA 1.668 57.229 55.803 -0.404 0.000 0.833 178 Q CB -1.757 26.801 28.738 -0.299 0.000 0.896 178 Q HN 0.469 nan 8.270 nan 0.000 0.434 179 P HA -0.230 nan 4.420 nan 0.000 0.217 179 P C 1.237 178.313 177.300 -0.373 0.000 1.158 179 P CA 1.335 64.088 63.100 -0.578 0.000 0.887 179 P CB -0.063 31.193 31.700 -0.740 0.000 0.792 180 V N -0.057 119.619 119.914 -0.397 0.000 2.270 180 V HA -0.209 3.911 4.120 0.000 0.000 0.245 180 V C 2.772 178.500 176.094 -0.610 0.000 1.043 180 V CA 1.931 64.010 62.300 -0.368 0.000 1.014 180 V CB -1.047 30.632 31.823 -0.239 0.000 0.645 180 V HN 0.082 nan 8.190 nan 0.000 0.447 181 R N -0.766 119.204 120.500 -0.883 0.000 2.120 181 R HA -0.174 4.166 4.340 0.000 0.000 0.234 181 R C 2.364 178.406 176.300 -0.430 0.000 1.123 181 R CA 1.789 57.283 56.100 -1.010 0.000 0.975 181 R CB -0.722 29.152 30.300 -0.711 0.000 0.866 181 R HN 0.571 nan 8.270 nan 0.000 0.446 182 c N 0.264 118.681 118.600 -0.305 0.000 3.038 182 c HA -0.175 4.395 4.570 0.000 0.000 0.289 182 c C 2.593 176.624 174.090 -0.099 0.000 1.190 182 c CA 1.975 58.211 56.329 -0.155 0.000 1.807 182 c CB -1.009 41.419 42.510 -0.136 0.000 1.951 182 c HN 0.609 nan 8.230 nan 0.000 0.414 183 T N 0.126 114.643 114.554 -0.062 0.000 2.680 183 T HA -0.264 4.086 4.350 0.000 0.000 0.268 183 T C 1.860 176.599 174.700 0.064 0.000 1.033 183 T CA 2.232 64.371 62.100 0.065 0.000 1.152 183 T CB -0.435 68.441 68.868 0.014 0.000 0.859 183 T HN 0.492 nan 8.240 nan 0.000 0.452 184 R N 1.208 121.661 120.500 -0.080 0.000 2.081 184 R HA -0.025 4.315 4.340 0.000 0.000 0.235 184 R C 2.206 178.496 176.300 -0.018 0.000 1.131 184 R CA 1.714 57.784 56.100 -0.050 0.000 0.960 184 R CB -0.457 29.760 30.300 -0.140 0.000 0.856 184 R HN 0.529 nan 8.270 nan 0.000 0.436 185 E N -0.857 119.302 120.200 -0.068 0.000 2.112 185 E HA -0.019 4.331 4.350 0.000 0.000 0.190 185 E C 1.646 178.193 176.600 -0.087 0.000 0.979 185 E CA 0.987 57.356 56.400 -0.051 0.000 0.814 185 E CB -0.061 29.607 29.700 -0.054 0.000 0.762 185 E HN 0.430 nan 8.360 nan 0.000 0.460 186 A N 0.043 122.795 122.820 -0.114 0.000 2.167 186 A HA 0.015 4.335 4.320 0.000 0.000 0.214 186 A C 0.523 177.753 177.584 -0.590 0.000 1.151 186 A CA 0.575 52.446 52.037 -0.276 0.000 0.735 186 A CB 0.041 18.916 19.000 -0.208 0.000 0.802 186 A HN 0.185 nan 8.150 nan 0.000 0.467 187 F N -1.747 118.182 119.950 -0.035 0.000 2.664 187 F HA 0.298 4.826 4.527 0.000 0.000 0.353 187 F C -2.130 173.655 175.800 -0.025 0.000 1.498 187 F CA -1.333 56.651 58.000 -0.026 0.000 1.109 187 F CB 1.374 40.358 39.000 -0.026 0.000 1.728 187 F HN -0.005 nan 8.300 nan 0.000 0.580 188 P HA -0.160 nan 4.420 nan 0.000 0.219 188 P C 0.502 177.843 177.300 0.068 0.000 1.144 188 P CA 1.641 64.776 63.100 0.058 0.000 0.806 188 P CB 0.260 31.974 31.700 0.024 0.000 0.771 189 D N -2.004 118.447 120.400 0.085 0.000 2.479 189 D HA 0.105 4.745 4.640 0.000 0.000 0.216 189 D C 0.918 177.247 176.300 0.048 0.000 1.110 189 D CA -0.174 53.862 54.000 0.059 0.000 0.841 189 D CB -0.288 40.544 40.800 0.052 0.000 1.040 189 D HN 0.248 nan 8.370 nan 0.000 0.505 190 I N -0.769 119.838 120.570 0.062 0.000 2.813 190 I HA 0.154 4.324 4.170 0.000 0.000 0.287 190 I C 0.278 176.379 176.117 -0.027 0.000 1.196 190 I CA -0.473 60.831 61.300 0.006 0.000 1.421 190 I CB 0.750 38.725 38.000 -0.042 0.000 1.365 190 I HN -0.376 nan 8.210 nan 0.000 0.591 191 R N 4.957 125.426 120.500 -0.051 0.000 2.404 191 R HA 0.380 4.720 4.340 0.000 0.000 0.315 191 R C -0.794 175.425 176.300 -0.134 0.000 1.032 191 R CA -0.399 55.650 56.100 -0.085 0.000 0.992 191 R CB 0.440 30.690 30.300 -0.083 0.000 0.959 191 R HN 0.579 nan 8.270 nan 0.000 0.428 192 L N 2.330 123.459 121.223 -0.156 0.000 2.401 192 L HA 0.496 4.836 4.340 0.000 0.000 0.266 192 L C -0.317 176.388 176.870 -0.274 0.000 0.991 192 L CA -0.126 54.603 54.840 -0.185 0.000 0.818 192 L CB 2.340 44.327 42.059 -0.120 0.000 1.321 192 L HN 0.797 nan 8.230 nan 0.000 0.413 193 T N 1.281 115.643 114.554 -0.321 0.000 2.841 193 T HA 0.818 5.168 4.350 0.000 0.000 0.296 193 T C -0.810 173.750 174.700 -0.234 0.000 1.166 193 T CA -0.245 61.598 62.100 -0.428 0.000 1.007 193 T CB 1.401 69.731 68.868 -0.896 0.000 1.253 193 T HN 0.952 nan 8.240 nan 0.000 0.511 194 V N -1.320 118.507 119.914 -0.146 0.000 2.914 194 V HA 0.805 4.925 4.120 0.000 0.000 0.314 194 V C -1.310 174.838 176.094 0.089 0.000 1.084 194 V CA -0.841 61.443 62.300 -0.026 0.000 0.963 194 V CB 1.999 33.815 31.823 -0.011 0.000 1.025 194 V HN 1.001 nan 8.190 nan 0.000 0.432 195 D N 2.733 123.208 120.400 0.125 0.000 2.485 195 D HA 0.537 5.177 4.640 0.000 0.000 0.256 195 D C 1.100 177.523 176.300 0.206 0.000 1.141 195 D CA 0.128 54.247 54.000 0.198 0.000 0.942 195 D CB 1.091 42.007 40.800 0.195 0.000 1.003 195 D HN 0.954 nan 8.370 nan 0.000 0.507 196 A N 3.581 126.539 122.820 0.231 0.000 2.285 196 A HA -0.225 4.095 4.320 0.000 0.000 0.214 196 A C 1.322 179.134 177.584 0.380 0.000 1.188 196 A CA 0.812 53.056 52.037 0.346 0.000 0.707 196 A CB -0.850 18.300 19.000 0.251 0.000 0.771 196 A HN 0.695 nan 8.150 nan 0.000 0.488 197 N N -1.095 117.762 118.700 0.261 0.000 2.714 197 N HA -0.228 4.512 4.740 0.000 0.000 0.252 197 N C 0.261 175.874 175.510 0.171 0.000 1.014 197 N CA 1.060 54.228 53.050 0.197 0.000 0.735 197 N CB -2.007 36.566 38.487 0.144 0.000 0.924 197 N HN 0.491 nan 8.380 nan 0.000 0.540 198 S N -2.415 113.421 115.700 0.227 0.000 3.256 198 S HA -0.274 4.196 4.470 0.000 0.000 0.386 198 S C 0.922 175.578 174.600 0.094 0.000 1.056 198 S CA 0.981 59.304 58.200 0.204 0.000 1.087 198 S CB -1.560 61.766 63.200 0.211 0.000 0.890 198 S HN 0.913 nan 8.310 nan 0.000 0.496 199 A N -0.418 122.380 122.820 -0.036 0.000 2.579 199 A HA 0.557 4.877 4.320 0.000 0.000 0.273 199 A C -0.001 177.171 177.584 -0.686 0.000 1.363 199 A CA -0.045 51.788 52.037 -0.340 0.000 0.953 199 A CB -0.106 18.634 19.000 -0.433 0.000 1.034 199 A HN 0.537 nan 8.150 nan 0.000 0.536 200 Y N -1.608 118.717 120.300 0.042 0.000 2.588 200 Y HA 0.563 5.113 4.550 0.000 0.000 0.343 200 Y C 0.496 176.390 175.900 -0.011 0.000 1.065 200 Y CA -0.477 57.632 58.100 0.016 0.000 1.038 200 Y CB 1.903 40.369 38.460 0.011 0.000 1.297 200 Y HN 0.180 nan 8.280 nan 0.000 0.467 201 T N -2.432 112.213 114.554 0.151 0.000 2.888 201 T HA 0.426 4.777 4.350 0.000 0.000 0.288 201 T C 0.472 175.194 174.700 0.037 0.000 1.063 201 T CA -0.936 61.196 62.100 0.053 0.000 1.010 201 T CB 0.992 69.878 68.868 0.031 0.000 1.214 201 T HN 0.644 nan 8.240 nan 0.000 0.533 202 L N 0.638 121.855 121.223 -0.010 0.000 2.189 202 L HA -0.069 4.272 4.340 0.000 0.000 0.214 202 L C 3.104 179.976 176.870 0.003 0.000 1.097 202 L CA 1.571 56.399 54.840 -0.020 0.000 0.764 202 L CB -0.879 41.161 42.059 -0.031 0.000 0.900 202 L HN 0.963 nan 8.230 nan 0.000 0.436 203 A N 0.064 122.896 122.820 0.019 0.000 1.883 203 A HA -0.237 4.083 4.320 0.000 0.000 0.217 203 A C 1.655 179.264 177.584 0.042 0.000 1.186 203 A CA 1.988 54.042 52.037 0.027 0.000 0.624 203 A CB -0.498 18.521 19.000 0.032 0.000 0.822 203 A HN 0.433 nan 8.150 nan 0.000 0.444 204 D N 0.400 120.847 120.400 0.079 0.000 2.358 204 D HA 0.190 4.830 4.640 0.000 0.000 0.241 204 D C 1.636 177.950 176.300 0.023 0.000 1.094 204 D CA 0.790 54.856 54.000 0.110 0.000 0.907 204 D CB -0.236 40.752 40.800 0.312 0.000 0.893 204 D HN 0.484 nan 8.370 nan 0.000 0.528 205 A N 0.855 123.672 122.820 -0.004 0.000 2.019 205 A HA -0.023 4.298 4.320 0.000 0.000 0.219 205 A C 2.336 179.896 177.584 -0.039 0.000 1.164 205 A CA 1.632 53.645 52.037 -0.040 0.000 0.644 205 A CB -0.667 18.314 19.000 -0.032 0.000 0.805 205 A HN 0.341 nan 8.150 nan 0.000 0.449 206 G N -0.585 108.205 108.800 -0.016 0.000 2.396 206 G HA2 -0.153 3.807 3.960 0.000 0.000 0.214 206 G HA3 -0.153 3.807 3.960 0.000 0.000 0.214 206 G C 1.633 176.524 174.900 -0.015 0.000 1.166 206 G CA 0.886 45.978 45.100 -0.013 0.000 0.793 206 G HN 0.519 nan 8.290 nan 0.000 0.533 207 R N 0.159 120.658 120.500 -0.003 0.000 2.117 207 R HA 0.034 4.374 4.340 0.000 0.000 0.243 207 R C 2.346 178.617 176.300 -0.048 0.000 1.143 207 R CA 1.221 57.322 56.100 0.002 0.000 0.968 207 R CB -0.492 29.840 30.300 0.054 0.000 0.863 207 R HN 0.408 nan 8.270 nan 0.000 0.444 208 L N -0.858 120.303 121.223 -0.103 0.000 2.270 208 L HA 0.099 4.439 4.340 0.000 0.000 0.210 208 L C 2.540 179.356 176.870 -0.090 0.000 1.104 208 L CA 0.672 55.420 54.840 -0.153 0.000 0.804 208 L CB -0.272 41.640 42.059 -0.245 0.000 0.937 208 L HN 0.170 nan 8.230 nan 0.000 0.450 209 R N 0.210 120.670 120.500 -0.066 0.000 2.189 209 R HA -0.162 4.178 4.340 0.000 0.000 0.223 209 R C 2.146 178.412 176.300 -0.058 0.000 1.092 209 R CA 0.984 57.051 56.100 -0.056 0.000 0.989 209 R CB 0.042 30.314 30.300 -0.046 0.000 0.876 209 R HN 0.393 nan 8.270 nan 0.000 0.457 210 Q N 0.067 119.843 119.800 -0.041 0.000 2.181 210 Q HA -0.132 4.208 4.340 0.000 0.000 0.205 210 Q C 1.792 177.782 176.000 -0.016 0.000 0.980 210 Q CA 1.287 57.075 55.803 -0.026 0.000 0.862 210 Q CB 0.002 28.748 28.738 0.014 0.000 0.905 210 Q HN 0.386 nan 8.270 nan 0.000 0.429 211 L N 0.403 121.629 121.223 0.005 0.000 2.456 211 L HA -0.158 4.182 4.340 0.000 0.000 0.224 211 L C 1.227 178.085 176.870 -0.021 0.000 1.148 211 L CA 0.345 55.226 54.840 0.068 0.000 0.825 211 L CB -0.192 41.880 42.059 0.021 0.000 0.937 211 L HN 0.142 nan 8.230 nan 0.000 0.450 212 D N 0.568 120.903 120.400 -0.110 0.000 2.144 212 D HA -0.194 4.446 4.640 0.000 0.000 0.200 212 D C 2.065 178.244 176.300 -0.202 0.000 0.978 212 D CA 1.267 55.194 54.000 -0.123 0.000 0.833 212 D CB 0.059 40.796 40.800 -0.104 0.000 0.961 212 D HN 0.534 nan 8.370 nan 0.000 0.470 213 E N -0.478 119.478 120.200 -0.408 0.000 2.268 213 E HA -0.190 4.160 4.350 0.000 0.000 0.195 213 E C 0.538 176.885 176.600 -0.421 0.000 0.995 213 E CA 0.690 56.801 56.400 -0.483 0.000 0.836 213 E CB -0.452 28.852 29.700 -0.661 0.000 0.763 213 E HN 0.366 nan 8.360 nan 0.000 0.491 214 Y N 2.480 122.756 120.300 -0.041 0.000 2.627 214 Y HA 0.093 4.643 4.550 0.000 0.000 0.339 214 Y C -0.321 175.551 175.900 -0.048 0.000 1.137 214 Y CA -0.962 57.111 58.100 -0.044 0.000 1.361 214 Y CB -0.919 37.508 38.460 -0.056 0.000 1.180 214 Y HN -0.059 nan 8.280 nan 0.000 0.512 215 D N 0.433 120.855 120.400 0.037 0.000 2.916 215 D HA -0.253 4.387 4.640 0.000 0.000 0.209 215 D C -0.084 176.213 176.300 -0.004 0.000 1.255 215 D CA 0.693 54.699 54.000 0.009 0.000 0.627 215 D CB -0.945 39.860 40.800 0.008 0.000 0.959 215 D HN 0.428 nan 8.370 nan 0.000 0.393 216 L N 0.284 121.500 121.223 -0.012 0.000 2.490 216 L HA -0.019 4.321 4.340 0.000 0.000 0.274 216 L C 2.125 178.938 176.870 -0.094 0.000 1.201 216 L CA -0.092 54.699 54.840 -0.082 0.000 0.869 216 L CB 0.303 42.311 42.059 -0.086 0.000 1.123 216 L HN 0.030 nan 8.230 nan 0.000 0.484 217 T N 1.417 115.862 114.554 -0.181 0.000 2.759 217 T HA -0.107 4.243 4.350 0.000 0.000 0.269 217 T C -0.268 174.448 174.700 0.027 0.000 1.042 217 T CA 1.538 63.572 62.100 -0.109 0.000 1.140 217 T CB -0.238 68.522 68.868 -0.179 0.000 0.864 217 T HN 0.640 nan 8.240 nan 0.000 0.455 218 Y N -2.098 118.202 120.300 0.001 0.000 2.774 218 Y HA 0.613 5.163 4.550 0.000 0.000 0.346 218 Y C -1.955 173.966 175.900 0.035 0.000 1.222 218 Y CA -2.209 55.910 58.100 0.032 0.000 1.088 218 Y CB 0.569 39.076 38.460 0.078 0.000 1.354 218 Y HN -0.140 nan 8.280 nan 0.000 0.455 219 I N 1.965 122.698 120.570 0.273 0.000 2.389 219 I HA 0.310 4.480 4.170 0.000 0.000 0.288 219 I C -0.531 175.772 176.117 0.310 0.000 0.999 219 I CA -0.611 60.809 61.300 0.201 0.000 1.129 219 I CB 1.803 39.854 38.000 0.086 0.000 1.288 219 I HN 0.659 nan 8.210 nan 0.000 0.444 220 E N 5.636 126.049 120.200 0.355 0.000 2.229 220 E HA 0.108 4.458 4.350 0.000 0.000 0.283 220 E C -0.219 176.537 176.600 0.259 0.000 1.030 220 E CA -0.572 56.031 56.400 0.339 0.000 0.836 220 E CB 0.683 30.640 29.700 0.429 0.000 1.068 220 E HN 0.454 nan 8.360 nan 0.000 0.401 221 Q N 3.776 123.703 119.800 0.212 0.000 2.426 221 Q HA -0.173 4.167 4.340 0.000 0.000 0.359 221 Q C -1.990 174.224 176.000 0.356 0.000 1.381 221 Q CA 0.610 56.563 55.803 0.251 0.000 1.060 221 Q CB -0.237 28.612 28.738 0.185 0.000 1.253 221 Q HN 0.499 nan 8.270 nan 0.000 0.363 222 P HA -0.131 nan 4.420 nan 0.000 0.219 222 P C 0.298 177.758 177.300 0.267 0.000 1.150 222 P CA 1.174 64.438 63.100 0.274 0.000 0.814 222 P CB 0.269 32.010 31.700 0.067 0.000 0.787 223 L N -1.380 119.905 121.223 0.104 0.000 2.585 223 L HA 0.615 4.955 4.340 0.000 0.000 0.260 223 L C 0.829 177.801 176.870 0.171 0.000 1.085 223 L CA -1.663 53.148 54.840 -0.048 0.000 0.913 223 L CB -0.452 41.308 42.059 -0.498 0.000 1.638 223 L HN -0.239 nan 8.230 nan 0.000 0.531 224 A N 0.476 123.346 122.820 0.084 0.000 2.587 224 A HA -0.087 4.233 4.320 0.000 0.000 0.233 224 A C 0.896 178.534 177.584 0.091 0.000 1.049 224 A CA 0.104 52.184 52.037 0.071 0.000 0.754 224 A CB -0.222 18.734 19.000 -0.074 0.000 0.977 224 A HN 0.889 nan 8.150 nan 0.000 0.509 225 W N 2.170 123.495 121.300 0.042 0.000 2.421 225 W HA -0.110 4.550 4.660 -0.000 0.000 0.270 225 W C -0.055 176.443 176.519 -0.035 0.000 1.233 225 W CA 1.254 58.587 57.345 -0.019 0.000 1.226 225 W CB -0.554 28.847 29.460 -0.098 0.000 1.121 225 W HN 0.756 nan 8.180 nan 0.000 0.579 226 D N 0.098 119.922 120.400 -0.959 0.000 2.402 226 D HA 0.049 4.689 4.640 0.000 0.000 0.216 226 D C -0.691 175.356 176.300 -0.421 0.000 1.128 226 D CA -0.291 53.163 54.000 -0.910 0.000 0.833 226 D CB -0.569 39.276 40.800 -1.591 0.000 0.971 226 D HN 0.086 nan 8.370 nan 0.000 0.503 227 D N -0.135 120.131 120.400 -0.223 0.000 2.175 227 D HA 0.324 4.964 4.640 0.000 0.000 0.248 227 D C 0.765 177.077 176.300 0.020 0.000 1.047 227 D CA -0.574 53.392 54.000 -0.056 0.000 0.883 227 D CB 1.503 42.339 40.800 0.059 0.000 1.180 227 D HN -0.077 nan 8.370 nan 0.000 0.438 228 L N 2.733 123.957 121.223 0.001 0.000 2.600 228 L HA 0.105 4.445 4.340 0.000 0.000 0.213 228 L C 2.010 178.908 176.870 0.047 0.000 1.045 228 L CA -0.151 54.688 54.840 -0.001 0.000 0.863 228 L CB -0.079 41.944 42.059 -0.060 0.000 1.189 228 L HN 0.366 nan 8.230 nan 0.000 0.484 229 V N 0.602 120.525 119.914 0.014 0.000 2.295 229 V HA -0.269 3.851 4.120 0.000 0.000 0.246 229 V C 1.965 178.064 176.094 0.008 0.000 1.049 229 V CA 2.098 64.400 62.300 0.003 0.000 1.024 229 V CB -0.364 31.448 31.823 -0.017 0.000 0.648 229 V HN 0.399 nan 8.190 nan 0.000 0.447 230 D N -1.473 118.925 120.400 -0.003 0.000 2.144 230 D HA -0.123 4.517 4.640 0.000 0.000 0.200 230 D C 2.112 178.373 176.300 -0.065 0.000 0.978 230 D CA 1.021 54.991 54.000 -0.051 0.000 0.833 230 D CB -0.342 40.398 40.800 -0.100 0.000 0.961 230 D HN 0.515 nan 8.370 nan 0.000 0.470 231 H N 0.457 119.510 119.070 -0.028 0.000 2.353 231 H HA -0.025 4.531 4.556 0.000 0.000 0.300 231 H C 2.041 177.353 175.328 -0.025 0.000 1.090 231 H CA 1.361 57.395 56.048 -0.022 0.000 1.327 231 H CB 0.024 29.770 29.762 -0.027 0.000 1.383 231 H HN 0.103 nan 8.280 nan 0.000 0.508 232 A N 1.158 124.032 122.820 0.090 0.000 1.877 232 A HA -0.219 4.102 4.320 0.000 0.000 0.216 232 A C 2.373 179.966 177.584 0.014 0.000 1.186 232 A CA 1.919 53.976 52.037 0.034 0.000 0.620 232 A CB -0.344 18.663 19.000 0.012 0.000 0.822 232 A HN 0.353 nan 8.150 nan 0.000 0.443 233 E N -0.091 120.110 120.200 0.002 0.000 2.058 233 E HA -0.190 4.160 4.350 0.000 0.000 0.194 233 E C 1.803 178.394 176.600 -0.015 0.000 0.997 233 E CA 1.495 57.889 56.400 -0.010 0.000 0.801 233 E CB -0.534 29.154 29.700 -0.019 0.000 0.746 233 E HN 0.406 nan 8.360 nan 0.000 0.450 234 L N 0.408 121.615 121.223 -0.026 0.000 2.042 234 L HA -0.093 4.247 4.340 0.000 0.000 0.210 234 L C 2.260 179.124 176.870 -0.009 0.000 1.076 234 L CA 2.389 57.210 54.840 -0.032 0.000 0.749 234 L CB -1.035 40.983 42.059 -0.067 0.000 0.893 234 L HN 0.210 nan 8.230 nan 0.000 0.432 235 A N -0.558 122.270 122.820 0.013 0.000 1.978 235 A HA -0.245 4.075 4.320 0.000 0.000 0.220 235 A C 2.388 179.976 177.584 0.006 0.000 1.170 235 A CA 1.861 53.909 52.037 0.018 0.000 0.636 235 A CB -0.620 18.396 19.000 0.027 0.000 0.810 235 A HN 0.545 nan 8.150 nan 0.000 0.448 236 R N -1.023 119.478 120.500 0.001 0.000 2.189 236 R HA 0.004 4.344 4.340 0.000 0.000 0.223 236 R C 1.817 178.113 176.300 -0.007 0.000 1.092 236 R CA 1.059 57.158 56.100 -0.002 0.000 0.989 236 R CB -0.078 30.220 30.300 -0.003 0.000 0.876 236 R HN 0.472 nan 8.270 nan 0.000 0.457 237 R N 0.207 120.700 120.500 -0.011 0.000 2.335 237 R HA 0.221 4.561 4.340 0.000 0.000 0.210 237 R C 0.852 177.139 176.300 -0.021 0.000 0.892 237 R CA 0.249 56.340 56.100 -0.016 0.000 1.048 237 R CB 0.487 30.775 30.300 -0.020 0.000 1.067 237 R HN 0.202 nan 8.270 nan 0.000 0.524 238 I N -2.803 117.756 120.570 -0.019 0.000 2.892 238 I HA 0.404 4.574 4.170 0.000 0.000 0.306 238 I C 0.732 176.841 176.117 -0.014 0.000 1.078 238 I CA -1.093 60.194 61.300 -0.023 0.000 1.032 238 I CB 2.240 40.222 38.000 -0.030 0.000 1.229 238 I HN -0.278 nan 8.210 nan 0.000 0.435 239 R N 1.136 121.624 120.500 -0.019 0.000 2.140 239 R HA 0.129 4.469 4.340 0.000 0.000 0.213 239 R C 0.246 176.545 176.300 -0.002 0.000 1.059 239 R CA 0.422 56.514 56.100 -0.013 0.000 1.000 239 R CB -0.376 29.909 30.300 -0.024 0.000 0.910 239 R HN 0.697 nan 8.270 nan 0.000 0.455 240 T N 4.699 119.250 114.554 -0.004 0.000 2.871 240 T HA 0.098 4.448 4.350 0.000 0.000 0.296 240 T C -2.327 172.401 174.700 0.046 0.000 0.998 240 T CA -0.802 61.308 62.100 0.017 0.000 1.162 240 T CB 0.834 69.708 68.868 0.009 0.000 0.947 240 T HN 0.009 nan 8.240 nan 0.000 0.536 241 P HA 0.182 nan 4.420 nan 0.000 0.269 241 P C -0.460 176.919 177.300 0.133 0.000 1.209 241 P CA -0.244 62.913 63.100 0.094 0.000 0.776 241 P CB 0.450 32.221 31.700 0.117 0.000 0.876 242 L N 2.069 123.353 121.223 0.101 0.000 2.322 242 L HA 0.466 4.806 4.340 0.000 0.000 0.279 242 L C 0.253 177.167 176.870 0.073 0.000 1.036 242 L CA -0.725 54.186 54.840 0.118 0.000 0.807 242 L CB 1.513 43.642 42.059 0.117 0.000 1.226 242 L HN 0.438 nan 8.230 nan 0.000 0.433 243 C N 5.075 124.428 119.300 0.089 0.000 2.351 243 C HA 0.646 5.106 4.460 0.000 0.000 0.326 243 C C -0.111 174.844 174.990 -0.059 0.000 1.272 243 C CA -0.690 58.302 59.018 -0.044 0.000 1.650 243 C CB 0.056 27.687 27.740 -0.181 0.000 2.257 243 C HN 0.697 nan 8.230 nan 0.000 0.505 244 L N 5.773 126.903 121.223 -0.155 0.000 2.322 244 L HA 0.491 4.831 4.340 0.000 0.000 0.279 244 L C 0.516 177.284 176.870 -0.170 0.000 1.036 244 L CA -0.027 54.700 54.840 -0.188 0.000 0.807 244 L CB 1.272 43.185 42.059 -0.244 0.000 1.226 244 L HN 0.766 nan 8.230 nan 0.000 0.433 245 D N 0.600 120.942 120.400 -0.098 0.000 3.040 245 D HA -0.013 4.627 4.640 0.000 0.000 0.221 245 D C 1.386 177.688 176.300 0.004 0.000 1.515 245 D CA 0.253 54.224 54.000 -0.049 0.000 1.379 245 D CB 0.239 41.076 40.800 0.062 0.000 0.992 245 D HN 0.521 nan 8.370 nan 0.000 0.234 246 E N 0.313 120.544 120.200 0.052 0.000 2.219 246 E HA -0.131 4.219 4.350 0.000 0.000 0.198 246 E C 1.879 178.520 176.600 0.068 0.000 0.998 246 E CA 1.785 58.211 56.400 0.044 0.000 0.818 246 E CB -0.118 29.609 29.700 0.044 0.000 0.741 246 E HN 0.312 nan 8.360 nan 0.000 0.477 247 S N -0.835 114.856 115.700 -0.014 0.000 2.558 247 S HA 0.071 4.541 4.470 0.000 0.000 0.217 247 S C 0.678 175.234 174.600 -0.074 0.000 0.975 247 S CA -0.251 57.908 58.200 -0.068 0.000 0.912 247 S CB 0.430 63.537 63.200 -0.156 0.000 0.776 247 S HN -0.046 nan 8.310 nan 0.000 0.526 248 V N 2.057 121.931 119.914 -0.066 0.000 2.275 248 V HA 0.705 4.825 4.120 0.000 0.000 0.272 248 V C 0.579 176.655 176.094 -0.029 0.000 1.028 248 V CA -0.093 62.166 62.300 -0.068 0.000 0.810 248 V CB 0.454 32.211 31.823 -0.110 0.000 1.043 248 V HN 0.441 nan 8.190 nan 0.000 0.453 249 A N 3.762 126.579 122.820 -0.006 0.000 2.503 249 A HA 0.673 4.993 4.320 0.000 0.000 0.263 249 A C 0.683 178.275 177.584 0.012 0.000 1.258 249 A CA 0.492 52.541 52.037 0.019 0.000 0.936 249 A CB 0.171 19.201 19.000 0.050 0.000 1.070 249 A HN 0.939 nan 8.150 nan 0.000 0.522 250 S N -3.375 112.323 115.700 -0.003 0.000 2.636 250 S HA 0.605 5.075 4.470 0.000 0.000 0.268 250 S C 0.746 175.343 174.600 -0.005 0.000 1.159 250 S CA 0.045 58.247 58.200 0.003 0.000 0.815 250 S CB 0.829 64.035 63.200 0.010 0.000 1.130 250 S HN 1.006 nan 8.310 nan 0.000 0.471 251 A N 1.537 124.362 122.820 0.009 0.000 1.930 251 A HA 0.045 4.365 4.320 0.000 0.000 0.217 251 A C 2.324 179.915 177.584 0.010 0.000 1.175 251 A CA 2.195 54.241 52.037 0.014 0.000 0.627 251 A CB -1.489 17.532 19.000 0.035 0.000 0.815 251 A HN 1.672 nan 8.150 nan 0.000 0.443 252 S N 0.082 115.789 115.700 0.011 0.000 2.402 252 S HA -0.162 4.309 4.470 0.000 0.000 0.229 252 S C 1.331 175.922 174.600 -0.015 0.000 1.021 252 S CA 1.402 59.607 58.200 0.008 0.000 0.974 252 S CB -0.463 62.744 63.200 0.011 0.000 0.800 252 S HN 0.468 nan 8.310 nan 0.000 0.484 253 D N 2.337 122.720 120.400 -0.028 0.000 2.144 253 D HA 0.104 4.744 4.640 0.000 0.000 0.199 253 D C 2.224 178.473 176.300 -0.086 0.000 0.984 253 D CA 1.365 55.333 54.000 -0.053 0.000 0.834 253 D CB -0.601 40.169 40.800 -0.051 0.000 0.955 253 D HN 0.570 nan 8.370 nan 0.000 0.465 254 A N 0.979 123.749 122.820 -0.083 0.000 1.872 254 A HA -0.152 4.168 4.320 0.000 0.000 0.214 254 A C 2.172 179.644 177.584 -0.187 0.000 1.187 254 A CA 1.178 53.136 52.037 -0.132 0.000 0.614 254 A CB -0.368 18.573 19.000 -0.099 0.000 0.826 254 A HN 0.033 nan 8.150 nan 0.000 0.442 255 R N 0.569 121.016 120.500 -0.089 0.000 2.096 255 R HA -0.190 4.151 4.340 0.000 0.000 0.240 255 R C 1.897 178.122 176.300 -0.125 0.000 1.139 255 R CA 2.286 58.363 56.100 -0.038 0.000 0.952 255 R CB -0.483 29.882 30.300 0.108 0.000 0.854 255 R HN 0.597 nan 8.270 nan 0.000 0.436 256 K N -0.075 120.275 120.400 -0.084 0.000 2.026 256 K HA -0.054 4.266 4.320 0.000 0.000 0.208 256 K C 2.251 178.770 176.600 -0.134 0.000 1.048 256 K CA 1.416 57.657 56.287 -0.076 0.000 0.929 256 K CB -0.264 32.205 32.500 -0.051 0.000 0.713 256 K HN 0.242 nan 8.250 nan 0.000 0.439 257 A N 1.537 124.255 122.820 -0.170 0.000 1.917 257 A HA -0.172 4.148 4.320 0.000 0.000 0.219 257 A C 2.156 179.585 177.584 -0.258 0.000 1.182 257 A CA 1.518 53.441 52.037 -0.190 0.000 0.633 257 A CB -0.692 18.189 19.000 -0.199 0.000 0.819 257 A HN 0.168 nan 8.150 nan 0.000 0.448 258 L N -1.236 119.718 121.223 -0.449 0.000 2.095 258 L HA -0.037 4.303 4.340 0.000 0.000 0.204 258 L C 3.057 179.614 176.870 -0.521 0.000 1.080 258 L CA 0.798 55.234 54.840 -0.673 0.000 0.759 258 L CB -0.549 40.701 42.059 -1.348 0.000 0.914 258 L HN 0.390 nan 8.230 nan 0.000 0.439 259 A N 0.335 122.918 122.820 -0.396 0.000 1.940 259 A HA -0.177 4.144 4.320 0.000 0.000 0.219 259 A C 2.261 179.840 177.584 -0.007 0.000 1.176 259 A CA 1.526 53.574 52.037 0.020 0.000 0.631 259 A CB -0.737 18.337 19.000 0.124 0.000 0.814 259 A HN 0.365 nan 8.150 nan 0.000 0.446 260 L N -1.501 119.685 121.223 -0.062 0.000 2.201 260 L HA 0.039 4.379 4.340 0.000 0.000 0.212 260 L C 1.759 178.609 176.870 -0.033 0.000 1.105 260 L CA 0.771 55.589 54.840 -0.038 0.000 0.775 260 L CB -0.419 41.612 42.059 -0.047 0.000 0.913 260 L HN 0.640 nan 8.230 nan 0.000 0.440 261 G N -0.910 107.852 108.800 -0.063 0.000 2.171 261 G HA2 -0.285 3.675 3.960 0.000 0.000 0.238 261 G HA3 -0.285 3.675 3.960 0.000 0.000 0.238 261 G C 0.890 175.769 174.900 -0.035 0.000 1.039 261 G CA 0.354 45.428 45.100 -0.044 0.000 0.759 261 G HN 0.426 nan 8.290 nan 0.000 0.501 262 A N -0.966 121.820 122.820 -0.057 0.000 2.015 262 A HA 0.557 4.877 4.320 0.000 0.000 0.219 262 A C 1.692 179.254 177.584 -0.036 0.000 1.163 262 A CA 1.991 54.012 52.037 -0.028 0.000 0.646 262 A CB 0.104 19.064 19.000 -0.066 0.000 0.806 262 A HN 2.210 nan 8.150 nan 0.000 0.448 263 G N -4.132 104.621 108.800 -0.078 0.000 2.623 263 G HA2 0.454 4.414 3.960 0.000 0.000 0.290 263 G HA3 0.454 4.414 3.960 0.000 0.000 0.290 263 G C 0.218 175.074 174.900 -0.074 0.000 1.437 263 G CA 0.221 45.282 45.100 -0.066 0.000 0.798 263 G HN 0.624 nan 8.290 nan 0.000 0.488 264 G N -1.391 107.384 108.800 -0.041 0.000 3.192 264 G HA2 0.462 4.422 3.960 0.000 0.000 0.239 264 G HA3 0.462 4.422 3.960 0.000 0.000 0.239 264 G C -0.244 174.628 174.900 -0.047 0.000 1.084 264 G CA 0.350 45.430 45.100 -0.032 0.000 0.784 264 G HN 0.928 nan 8.290 nan 0.000 0.540 265 V N 0.804 120.669 119.914 -0.082 0.000 2.888 265 V HA 0.507 4.627 4.120 0.000 0.000 0.309 265 V C -1.093 174.883 176.094 -0.198 0.000 1.114 265 V CA -0.790 61.439 62.300 -0.117 0.000 0.940 265 V CB 2.376 34.121 31.823 -0.130 0.000 1.021 265 V HN 0.081 nan 8.190 nan 0.000 0.426 266 I N 2.898 123.310 120.570 -0.264 0.000 2.436 266 I HA 0.386 4.556 4.170 0.000 0.000 0.289 266 I C 0.086 175.828 176.117 -0.625 0.000 1.010 266 I CA -0.316 60.770 61.300 -0.356 0.000 1.098 266 I CB 1.752 39.578 38.000 -0.291 0.000 1.266 266 I HN 0.749 nan 8.210 nan 0.000 0.434 267 N N 6.497 124.727 118.700 -0.782 0.000 2.405 267 N HA 0.193 4.933 4.740 0.000 0.000 0.260 267 N C -1.026 174.094 175.510 -0.651 0.000 1.152 267 N CA -0.628 51.666 53.050 -1.259 0.000 0.948 267 N CB 0.673 38.500 38.487 -1.100 0.000 1.111 267 N HN 0.350 nan 8.380 nan 0.000 0.485 268 L N 4.283 125.188 121.223 -0.529 0.000 2.255 268 L HA 0.349 4.689 4.340 0.000 0.000 0.289 268 L C -0.722 176.091 176.870 -0.095 0.000 1.046 268 L CA -0.243 54.460 54.840 -0.229 0.000 0.816 268 L CB 0.449 42.403 42.059 -0.175 0.000 1.197 268 L HN 0.431 nan 8.230 nan 0.000 0.427 269 K N 4.324 124.676 120.400 -0.080 0.000 2.263 269 K HA 0.207 4.527 4.320 0.000 0.000 0.272 269 K C 0.854 177.440 176.600 -0.022 0.000 1.033 269 K CA -0.390 55.875 56.287 -0.037 0.000 0.884 269 K CB 2.159 34.632 32.500 -0.045 0.000 1.107 269 K HN 0.545 nan 8.250 nan 0.000 0.460 270 V N 3.351 123.250 119.914 -0.024 0.000 2.324 270 V HA -0.324 3.796 4.120 0.000 0.000 0.250 270 V C 1.780 177.810 176.094 -0.107 0.000 1.060 270 V CA 2.832 65.083 62.300 -0.081 0.000 1.042 270 V CB -0.186 31.536 31.823 -0.168 0.000 0.650 270 V HN 0.938 nan 8.190 nan 0.000 0.450 271 A N -0.435 122.329 122.820 -0.095 0.000 1.975 271 A HA -0.074 4.246 4.320 0.000 0.000 0.215 271 A C 2.380 179.952 177.584 -0.019 0.000 1.170 271 A CA 1.255 53.246 52.037 -0.078 0.000 0.656 271 A CB -0.631 18.320 19.000 -0.081 0.000 0.821 271 A HN 0.572 nan 8.150 nan 0.000 0.449 272 R N 0.345 120.849 120.500 0.006 0.000 2.105 272 R HA -0.127 4.213 4.340 0.000 0.000 0.239 272 R C 1.587 177.910 176.300 0.039 0.000 1.135 272 R CA 2.026 58.160 56.100 0.056 0.000 0.967 272 R CB -0.266 30.092 30.300 0.097 0.000 0.861 272 R HN 0.528 nan 8.270 nan 0.000 0.442 273 V N -3.376 116.546 119.914 0.012 0.000 3.596 273 V HA 0.410 4.530 4.120 0.000 0.000 0.289 273 V C 0.790 176.891 176.094 0.011 0.000 1.336 273 V CA 0.561 62.868 62.300 0.012 0.000 1.137 273 V CB 0.341 32.165 31.823 0.003 0.000 0.966 273 V HN 0.424 nan 8.190 nan 0.000 0.428 274 G N -1.433 107.369 108.800 0.002 0.000 2.144 274 G HA2 0.306 4.266 3.960 0.000 0.000 0.218 274 G HA3 0.306 4.266 3.960 0.000 0.000 0.218 274 G C 0.947 175.840 174.900 -0.012 0.000 0.988 274 G CA -0.024 45.077 45.100 0.002 0.000 0.659 274 G HN 2.302 nan 8.290 nan 0.000 0.522 275 G N -1.971 106.800 108.800 -0.048 0.000 2.331 275 G HA2 0.261 4.221 3.960 0.000 0.000 0.402 275 G HA3 0.261 4.221 3.960 0.000 0.000 0.402 275 G C 0.194 175.035 174.900 -0.097 0.000 1.275 275 G CA 0.439 45.485 45.100 -0.091 0.000 1.003 275 G HN 0.519 nan 8.290 nan 0.000 0.500 276 H N -0.105 118.959 119.070 -0.009 0.000 2.357 276 H HA 0.067 4.623 4.556 0.000 0.000 0.301 276 H C 3.077 178.316 175.328 -0.147 0.000 1.082 276 H CA 2.406 58.330 56.048 -0.207 0.000 1.342 276 H CB -0.478 28.874 29.762 -0.683 0.000 1.389 276 H HN 0.717 nan 8.280 nan 0.000 0.511 277 A N 0.998 123.929 122.820 0.185 0.000 1.877 277 A HA -0.190 4.130 4.320 0.000 0.000 0.216 277 A C 2.380 180.039 177.584 0.125 0.000 1.186 277 A CA 1.906 54.072 52.037 0.216 0.000 0.620 277 A CB -0.316 18.921 19.000 0.395 0.000 0.822 277 A HN 0.362 nan 8.150 nan 0.000 0.443 278 E N 0.078 120.341 120.200 0.105 0.000 2.150 278 E HA -0.082 4.268 4.350 0.000 0.000 0.193 278 E C 2.148 178.782 176.600 0.057 0.000 0.985 278 E CA 1.358 57.800 56.400 0.069 0.000 0.814 278 E CB -0.227 29.503 29.700 0.049 0.000 0.752 278 E HN 0.487 nan 8.360 nan 0.000 0.466 279 S N 0.100 115.831 115.700 0.052 0.000 2.359 279 S HA -0.185 4.285 4.470 0.000 0.000 0.224 279 S C 1.882 176.541 174.600 0.099 0.000 1.035 279 S CA 1.274 59.516 58.200 0.068 0.000 1.018 279 S CB -0.326 62.921 63.200 0.078 0.000 0.876 279 S HN 0.288 nan 8.310 nan 0.000 0.448 280 R N 1.048 121.587 120.500 0.065 0.000 2.091 280 R HA -0.102 4.238 4.340 0.000 0.000 0.238 280 R C 2.410 178.780 176.300 0.118 0.000 1.136 280 R CA 1.414 57.540 56.100 0.043 0.000 0.959 280 R CB -0.134 30.159 30.300 -0.011 0.000 0.856 280 R HN 0.337 nan 8.270 nan 0.000 0.437 281 R N -0.363 120.194 120.500 0.096 0.000 2.073 281 R HA -0.089 4.251 4.340 0.000 0.000 0.234 281 R C 2.365 178.716 176.300 0.086 0.000 1.134 281 R CA 1.579 57.734 56.100 0.092 0.000 0.952 281 R CB -0.458 29.885 30.300 0.073 0.000 0.850 281 R HN 0.079 nan 8.270 nan 0.000 0.433 282 V N 0.625 120.579 119.914 0.066 0.000 2.252 282 V HA -0.330 3.790 4.120 0.000 0.000 0.249 282 V C 2.281 178.389 176.094 0.024 0.000 1.056 282 V CA 2.386 64.702 62.300 0.026 0.000 1.022 282 V CB -0.749 31.070 31.823 -0.006 0.000 0.641 282 V HN 0.461 nan 8.190 nan 0.000 0.445 283 H N 0.297 119.330 119.070 -0.062 0.000 2.353 283 H HA -0.216 4.340 4.556 0.000 0.000 0.298 283 H C 1.984 177.287 175.328 -0.041 0.000 1.103 283 H CA 2.315 58.303 56.048 -0.101 0.000 1.293 283 H CB -0.059 29.678 29.762 -0.040 0.000 1.372 283 H HN 0.444 nan 8.280 nan 0.000 0.501 284 D N -0.293 120.203 120.400 0.160 0.000 2.162 284 D HA -0.095 4.545 4.640 0.000 0.000 0.203 284 D C 2.472 178.802 176.300 0.050 0.000 0.967 284 D CA 1.037 55.100 54.000 0.105 0.000 0.840 284 D CB -0.276 40.615 40.800 0.153 0.000 0.972 284 D HN 0.307 nan 8.370 nan 0.000 0.482 285 V N 1.609 121.565 119.914 0.070 0.000 2.295 285 V HA -0.245 3.875 4.120 0.000 0.000 0.246 285 V C 2.551 178.750 176.094 0.175 0.000 1.049 285 V CA 1.865 64.242 62.300 0.127 0.000 1.024 285 V CB -0.808 31.087 31.823 0.120 0.000 0.648 285 V HN 0.178 nan 8.190 nan 0.000 0.447 286 A N -0.689 122.152 122.820 0.034 0.000 1.883 286 A HA -0.338 3.982 4.320 0.000 0.000 0.217 286 A C 2.238 179.826 177.584 0.006 0.000 1.186 286 A CA 2.286 54.315 52.037 -0.014 0.000 0.624 286 A CB -0.614 18.297 19.000 -0.148 0.000 0.822 286 A HN 0.599 nan 8.150 nan 0.000 0.444 287 Q N 0.257 120.004 119.800 -0.088 0.000 2.170 287 Q HA -0.158 4.182 4.340 0.000 0.000 0.203 287 Q C 2.086 178.080 176.000 -0.009 0.000 0.976 287 Q CA 2.046 57.797 55.803 -0.087 0.000 0.858 287 Q CB -0.222 28.421 28.738 -0.158 0.000 0.907 287 Q HN 0.788 nan 8.270 nan 0.000 0.433 288 S N -1.186 114.525 115.700 0.018 0.000 2.481 288 S HA -0.057 4.413 4.470 0.000 0.000 0.231 288 S C 1.179 175.723 174.600 -0.094 0.000 0.996 288 S CA 0.406 58.584 58.200 -0.037 0.000 0.942 288 S CB -0.226 62.937 63.200 -0.062 0.000 0.768 288 S HN 0.429 nan 8.310 nan 0.000 0.520 289 F N 1.754 121.677 119.950 -0.046 0.000 2.727 289 F HA 0.403 4.930 4.527 0.000 0.000 0.302 289 F C 1.841 177.618 175.800 -0.038 0.000 1.097 289 F CA 0.165 58.142 58.000 -0.039 0.000 1.330 289 F CB 0.171 39.145 39.000 -0.044 0.000 1.084 289 F HN 0.384 nan 8.300 nan 0.000 0.578 290 G N 0.978 109.842 108.800 0.107 0.000 2.160 290 G HA2 -0.118 3.842 3.960 0.000 0.000 0.244 290 G HA3 -0.118 3.842 3.960 0.000 0.000 0.244 290 G C 0.054 174.979 174.900 0.042 0.000 1.022 290 G CA 0.032 45.163 45.100 0.052 0.000 0.741 290 G HN 0.631 nan 8.290 nan 0.000 0.508 291 A N 0.657 123.497 122.820 0.034 0.000 2.292 291 A HA 0.884 5.205 4.320 0.000 0.000 0.319 291 A C -1.622 175.920 177.584 -0.070 0.000 1.206 291 A CA -1.418 50.608 52.037 -0.018 0.000 0.835 291 A CB 1.786 20.757 19.000 -0.048 0.000 1.164 291 A HN 0.200 nan 8.150 nan 0.000 0.505 292 P HA 0.442 nan 4.420 nan 0.000 0.278 292 P C -0.250 176.963 177.300 -0.145 0.000 1.258 292 P CA -0.214 62.836 63.100 -0.084 0.000 0.811 292 P CB 1.352 33.054 31.700 0.003 0.000 1.063 293 V N -1.782 117.980 119.914 -0.252 0.000 2.994 293 V HA 0.833 4.953 4.120 0.000 0.000 0.318 293 V C -0.659 175.330 176.094 -0.174 0.000 1.085 293 V CA -0.833 61.242 62.300 -0.374 0.000 0.998 293 V CB 2.034 33.452 31.823 -0.675 0.000 1.063 293 V HN 0.813 nan 8.190 nan 0.000 0.447 294 W N -0.030 121.148 121.300 -0.204 0.000 3.062 294 W HA 0.668 5.328 4.660 0.000 0.000 0.336 294 W C -1.393 175.263 176.519 0.228 0.000 1.224 294 W CA -1.322 56.077 57.345 0.091 0.000 1.159 294 W CB 1.154 30.668 29.460 0.090 0.000 1.454 294 W HN 0.862 nan 8.180 nan 0.000 0.569 295 C N 2.859 122.576 119.300 0.694 0.000 2.303 295 C HA 0.690 5.150 4.460 0.000 0.000 0.341 295 C C 1.121 176.307 174.990 0.327 0.000 1.244 295 C CA 0.532 59.825 59.018 0.457 0.000 1.765 295 C CB -0.702 27.234 27.740 0.327 0.000 2.379 295 C HN 0.800 nan 8.230 nan 0.000 0.530 296 G N 3.995 112.812 108.800 0.029 0.000 2.599 296 G HA2 0.580 4.540 3.960 0.000 0.000 0.264 296 G HA3 0.580 4.540 3.960 0.000 0.000 0.264 296 G C 0.029 174.987 174.900 0.098 0.000 1.200 296 G CA 0.067 45.197 45.100 0.051 0.000 0.896 296 G HN 1.204 nan 8.290 nan 0.000 0.536 297 G N -0.961 107.896 108.800 0.095 0.000 2.482 297 G HA2 0.504 4.464 3.960 0.000 0.000 0.317 297 G HA3 0.504 4.464 3.960 0.000 0.000 0.317 297 G C -0.148 174.726 174.900 -0.042 0.000 1.241 297 G CA -0.622 44.501 45.100 0.038 0.000 0.967 297 G HN 0.379 nan 8.290 nan 0.000 0.482 298 M N 2.359 121.916 119.600 -0.071 0.000 3.002 298 M HA 0.265 4.745 4.480 0.000 0.000 0.398 298 M C 0.394 176.667 176.300 -0.044 0.000 1.366 298 M CA -0.183 55.050 55.300 -0.112 0.000 0.824 298 M CB -0.227 32.281 32.600 -0.154 0.000 1.414 298 M HN 0.580 nan 8.290 nan 0.000 0.501 299 L N 0.733 121.930 121.223 -0.042 0.000 3.597 299 L HA -0.266 4.074 4.340 0.000 0.000 0.440 299 L C -0.271 176.667 176.870 0.113 0.000 1.277 299 L CA 0.541 55.364 54.840 -0.028 0.000 0.852 299 L CB -1.714 40.413 42.059 0.114 0.000 1.708 299 L HN 0.381 nan 8.230 nan 0.000 0.885 300 E N 0.005 120.210 120.200 0.008 0.000 2.349 300 E HA 0.443 4.793 4.350 0.000 0.000 0.265 300 E C 0.715 177.436 176.600 0.201 0.000 1.064 300 E CA 0.276 56.726 56.400 0.084 0.000 0.886 300 E CB 0.871 30.581 29.700 0.017 0.000 1.036 300 E HN 0.371 nan 8.360 nan 0.000 0.413 301 S N 0.566 116.281 115.700 0.025 0.000 2.633 301 S HA 0.157 4.627 4.470 0.000 0.000 0.257 301 S C 1.447 176.069 174.600 0.036 0.000 1.265 301 S CA -0.281 57.850 58.200 -0.113 0.000 0.980 301 S CB 0.737 63.767 63.200 -0.282 0.000 1.017 301 S HN 0.633 nan 8.310 nan 0.000 0.577 302 G N -0.122 108.697 108.800 0.031 0.000 2.470 302 G HA2 -0.066 3.894 3.960 0.000 0.000 0.220 302 G HA3 -0.066 3.894 3.960 0.000 0.000 0.220 302 G C 1.189 176.135 174.900 0.077 0.000 1.121 302 G CA 0.580 45.726 45.100 0.077 0.000 0.766 302 G HN 0.571 nan 8.290 nan 0.000 0.553 303 I N 1.814 122.426 120.570 0.071 0.000 2.090 303 I HA -0.080 4.090 4.170 0.000 0.000 0.236 303 I C 3.051 179.309 176.117 0.235 0.000 1.064 303 I CA 1.572 62.952 61.300 0.133 0.000 1.324 303 I CB -1.580 36.481 38.000 0.103 0.000 1.044 303 I HN 0.217 nan 8.210 nan 0.000 0.399 304 G N 0.292 109.177 108.800 0.142 0.000 2.418 304 G HA2 -0.283 3.678 3.960 0.000 0.000 0.217 304 G HA3 -0.283 3.678 3.960 0.000 0.000 0.217 304 G C 1.924 176.901 174.900 0.127 0.000 1.158 304 G CA 0.795 45.965 45.100 0.117 0.000 0.771 304 G HN 0.309 nan 8.290 nan 0.000 0.545 305 R N 0.460 121.016 120.500 0.094 0.000 2.081 305 R HA 0.020 4.360 4.340 0.000 0.000 0.235 305 R C 2.841 179.197 176.300 0.092 0.000 1.131 305 R CA 1.461 57.606 56.100 0.075 0.000 0.960 305 R CB -0.328 30.009 30.300 0.061 0.000 0.856 305 R HN 0.300 nan 8.270 nan 0.000 0.436 306 A N 0.303 123.188 122.820 0.108 0.000 1.898 306 A HA -0.167 4.154 4.320 0.000 0.000 0.216 306 A C 1.880 179.556 177.584 0.153 0.000 1.181 306 A CA 1.313 53.411 52.037 0.102 0.000 0.620 306 A CB -0.809 18.232 19.000 0.069 0.000 0.819 306 A HN 0.435 nan 8.150 nan 0.000 0.442 307 H N 0.210 119.365 119.070 0.142 0.000 2.319 307 H HA -0.134 4.422 4.556 0.000 0.000 0.297 307 H C 1.969 177.407 175.328 0.184 0.000 1.097 307 H CA 1.893 58.057 56.048 0.193 0.000 1.285 307 H CB -0.154 29.715 29.762 0.177 0.000 1.368 307 H HN 0.437 nan 8.280 nan 0.000 0.495 308 N N 0.756 119.582 118.700 0.210 0.000 2.069 308 N HA -0.117 4.623 4.740 0.000 0.000 0.191 308 N C 2.232 177.730 175.510 -0.020 0.000 1.031 308 N CA 0.813 53.912 53.050 0.082 0.000 0.852 308 N CB -0.517 38.006 38.487 0.059 0.000 1.018 308 N HN 0.342 nan 8.380 nan 0.000 0.423 309 I N 0.183 120.742 120.570 -0.018 0.000 2.179 309 I HA -0.276 3.894 4.170 0.000 0.000 0.242 309 I C 1.921 177.908 176.117 -0.216 0.000 1.088 309 I CA 1.270 62.495 61.300 -0.125 0.000 1.357 309 I CB -0.297 37.623 38.000 -0.134 0.000 1.051 309 I HN 0.192 nan 8.210 nan 0.000 0.409 310 H N -0.203 118.782 119.070 -0.141 0.000 2.353 310 H HA -0.203 4.354 4.556 0.000 0.000 0.300 310 H C 1.936 177.112 175.328 -0.253 0.000 1.090 310 H CA 1.709 57.641 56.048 -0.194 0.000 1.327 310 H CB -0.165 29.460 29.762 -0.227 0.000 1.383 310 H HN 0.153 nan 8.280 nan 0.000 0.508 311 L N 0.170 121.333 121.223 -0.100 0.000 2.079 311 L HA -0.164 4.176 4.340 0.000 0.000 0.210 311 L C 1.932 178.454 176.870 -0.579 0.000 1.081 311 L CA 1.627 56.348 54.840 -0.199 0.000 0.752 311 L CB -0.540 41.516 42.059 -0.004 0.000 0.896 311 L HN 0.070 nan 8.230 nan 0.000 0.433 312 S N -1.225 114.027 115.700 -0.746 0.000 2.547 312 S HA -0.114 4.356 4.470 0.000 0.000 0.235 312 S C 1.671 175.945 174.600 -0.542 0.000 0.980 312 S CA 1.085 58.607 58.200 -1.131 0.000 0.941 312 S CB -0.746 62.086 63.200 -0.613 0.000 0.763 312 S HN 0.784 nan 8.310 nan 0.000 0.532 313 T N -0.216 114.135 114.554 -0.337 0.000 3.113 313 T HA 0.146 4.496 4.350 0.000 0.000 0.263 313 T C 0.484 175.102 174.700 -0.136 0.000 1.143 313 T CA 0.072 62.055 62.100 -0.195 0.000 1.090 313 T CB -0.381 68.384 68.868 -0.172 0.000 0.922 313 T HN 0.001 nan 8.240 nan 0.000 0.521 314 L N 2.870 124.043 121.223 -0.083 0.000 2.452 314 L HA 0.301 4.642 4.340 0.000 0.000 0.267 314 L C 1.889 178.924 176.870 0.276 0.000 1.188 314 L CA 0.239 55.087 54.840 0.013 0.000 0.821 314 L CB 0.942 42.856 42.059 -0.241 0.000 1.102 314 L HN 0.315 nan 8.230 nan 0.000 0.470 315 S N 0.725 116.574 115.700 0.248 0.000 2.423 315 S HA -0.148 4.322 4.470 0.000 0.000 0.231 315 S C 1.408 176.147 174.600 0.233 0.000 1.014 315 S CA 1.147 59.462 58.200 0.192 0.000 0.965 315 S CB -0.401 62.869 63.200 0.116 0.000 0.785 315 S HN 0.719 nan 8.310 nan 0.000 0.495 316 N N 0.416 119.293 118.700 0.296 0.000 2.461 316 N HA 0.179 4.919 4.740 0.000 0.000 0.188 316 N C -0.707 174.772 175.510 -0.052 0.000 1.134 316 N CA -0.201 52.782 53.050 -0.112 0.000 0.878 316 N CB -0.577 37.492 38.487 -0.696 0.000 0.972 316 N HN 0.399 nan 8.380 nan 0.000 0.456 317 F N 0.793 120.839 119.950 0.161 0.000 2.678 317 F HA 0.177 4.704 4.527 0.000 0.000 0.358 317 F C 1.261 177.128 175.800 0.111 0.000 1.256 317 F CA -0.023 58.064 58.000 0.144 0.000 1.278 317 F CB 0.164 39.251 39.000 0.145 0.000 1.681 317 F HN -0.063 nan 8.300 nan 0.000 0.661 318 R N 1.096 121.703 120.500 0.178 0.000 2.362 318 R HA 0.305 4.645 4.340 0.000 0.000 0.227 318 R C -0.191 176.193 176.300 0.140 0.000 0.905 318 R CA 0.113 56.293 56.100 0.134 0.000 1.067 318 R CB 0.419 30.764 30.300 0.075 0.000 1.078 318 R HN 0.384 nan 8.270 nan 0.000 0.516 319 L N 0.946 122.288 121.223 0.199 0.000 2.341 319 L HA 0.504 4.844 4.340 0.000 0.000 0.267 319 L C -2.430 174.557 176.870 0.194 0.000 1.009 319 L CA -2.728 52.212 54.840 0.167 0.000 0.819 319 L CB 2.033 44.190 42.059 0.164 0.000 1.323 319 L HN -0.258 nan 8.230 nan 0.000 0.425 320 P HA 0.103 nan 4.420 nan 0.000 0.268 320 P C -0.244 177.112 177.300 0.093 0.000 1.204 320 P CA -0.057 63.092 63.100 0.082 0.000 0.768 320 P CB 0.675 32.384 31.700 0.015 0.000 0.842 321 G N 1.138 110.069 108.800 0.220 0.000 2.531 321 G HA2 0.200 4.160 3.960 0.000 0.000 0.313 321 G HA3 0.200 4.160 3.960 0.000 0.000 0.313 321 G C -0.083 174.962 174.900 0.242 0.000 1.238 321 G CA -0.438 44.888 45.100 0.378 0.000 0.994 321 G HN 0.298 nan 8.290 nan 0.000 0.493 322 D N -0.006 120.594 120.400 0.334 0.000 2.325 322 D HA 0.096 4.736 4.640 0.000 0.000 0.234 322 D C 0.967 177.367 176.300 0.167 0.000 1.122 322 D CA 0.356 54.483 54.000 0.211 0.000 0.850 322 D CB 0.131 41.095 40.800 0.274 0.000 0.921 322 D HN 0.178 nan 8.370 nan 0.000 0.513 323 T N 0.423 115.075 114.554 0.165 0.000 3.591 323 T HA 0.122 4.472 4.350 0.000 0.000 0.232 323 T C 1.003 175.810 174.700 0.178 0.000 1.116 323 T CA -0.421 61.762 62.100 0.138 0.000 1.063 323 T CB -0.230 68.699 68.868 0.102 0.000 1.227 323 T HN 0.065 nan 8.240 nan 0.000 0.685 324 S N 0.767 116.598 115.700 0.220 0.000 2.633 324 S HA 0.352 4.822 4.470 0.000 0.000 0.257 324 S C 0.566 175.361 174.600 0.325 0.000 1.265 324 S CA -0.871 57.502 58.200 0.288 0.000 0.980 324 S CB 0.334 63.579 63.200 0.075 0.000 1.017 324 S HN 0.298 nan 8.310 nan 0.000 0.577 325 S N 0.696 116.589 115.700 0.321 0.000 2.549 325 S HA 0.393 4.863 4.470 0.000 0.000 0.283 325 S C 1.557 176.333 174.600 0.294 0.000 1.320 325 S CA -0.162 58.184 58.200 0.243 0.000 1.058 325 S CB 0.638 63.950 63.200 0.186 0.000 0.882 325 S HN 0.905 nan 8.310 nan 0.000 0.498 326 A N 3.440 126.416 122.820 0.260 0.000 1.948 326 A HA -0.151 4.170 4.320 0.000 0.000 0.220 326 A C 2.288 180.025 177.584 0.254 0.000 1.177 326 A CA 2.061 54.286 52.037 0.313 0.000 0.636 326 A CB -1.088 18.087 19.000 0.291 0.000 0.815 326 A HN 0.942 nan 8.150 nan 0.000 0.449 327 S N -0.420 115.375 115.700 0.159 0.000 2.500 327 S HA -0.142 4.328 4.470 0.000 0.000 0.239 327 S C 1.780 176.371 174.600 -0.015 0.000 0.989 327 S CA 1.038 59.288 58.200 0.084 0.000 0.951 327 S CB -0.463 62.775 63.200 0.063 0.000 0.759 327 S HN 0.642 nan 8.310 nan 0.000 0.523 328 R N -0.549 119.900 120.500 -0.085 0.000 2.148 328 R HA 0.019 4.359 4.340 0.000 0.000 0.227 328 R C 1.390 177.371 176.300 -0.531 0.000 1.103 328 R CA 1.583 57.482 56.100 -0.335 0.000 0.983 328 R CB -0.254 29.713 30.300 -0.554 0.000 0.874 328 R HN 0.600 nan 8.270 nan 0.000 0.451 329 Y N -2.044 117.971 120.300 -0.476 0.000 2.422 329 Y HA 0.096 4.646 4.550 0.000 0.000 0.291 329 Y C 0.425 175.790 175.900 -0.892 0.000 1.144 329 Y CA -0.114 57.405 58.100 -0.969 0.000 1.208 329 Y CB 0.278 37.713 38.460 -1.707 0.000 1.195 329 Y HN -0.051 nan 8.280 nan 0.000 0.535 330 W N 1.683 123.102 121.300 0.198 0.000 2.736 330 W HA 0.359 5.019 4.660 0.000 0.000 0.335 330 W C 0.854 177.417 176.519 0.073 0.000 1.059 330 W CA -0.860 56.562 57.345 0.128 0.000 1.226 330 W CB 0.867 30.404 29.460 0.128 0.000 1.416 330 W HN -0.054 nan 8.180 nan 0.000 0.505 331 E N 0.995 121.358 120.200 0.271 0.000 2.274 331 E HA -0.040 4.310 4.350 0.000 0.000 0.194 331 E C 0.370 177.023 176.600 0.088 0.000 0.996 331 E CA 0.635 57.118 56.400 0.139 0.000 0.840 331 E CB 0.613 30.374 29.700 0.102 0.000 0.772 331 E HN 0.450 nan 8.360 nan 0.000 0.491 332 R N 0.715 121.281 120.500 0.109 0.000 2.515 332 R HA 0.137 4.477 4.340 0.000 0.000 0.278 332 R C -1.709 174.582 176.300 -0.014 0.000 1.107 332 R CA -0.549 55.486 56.100 -0.110 0.000 0.945 332 R CB 1.719 31.691 30.300 -0.547 0.000 1.219 332 R HN -0.107 nan 8.270 nan 0.000 0.434 333 D N 2.658 123.060 120.400 0.003 0.000 2.432 333 D HA 0.192 4.832 4.640 0.000 0.000 0.258 333 D C 1.025 177.370 176.300 0.075 0.000 1.146 333 D CA -0.414 53.595 54.000 0.016 0.000 1.015 333 D CB 1.336 42.199 40.800 0.105 0.000 1.107 333 D HN 0.553 nan 8.370 nan 0.000 0.529 334 L N 0.895 122.143 121.223 0.042 0.000 2.554 334 L HA 0.160 4.500 4.340 0.000 0.000 0.226 334 L C 0.976 177.904 176.870 0.098 0.000 1.137 334 L CA 0.190 55.103 54.840 0.121 0.000 0.863 334 L CB -0.423 41.626 42.059 -0.017 0.000 0.985 334 L HN 0.334 nan 8.230 nan 0.000 0.451 335 I N -4.583 116.025 120.570 0.064 0.000 2.982 335 I HA 0.234 4.404 4.170 0.000 0.000 0.312 335 I C 0.688 176.832 176.117 0.046 0.000 1.041 335 I CA -0.803 60.529 61.300 0.053 0.000 1.053 335 I CB 1.318 39.345 38.000 0.044 0.000 1.248 335 I HN -0.080 nan 8.210 nan 0.000 0.471 336 Q N 0.764 120.587 119.800 0.038 0.000 2.137 336 Q HA 0.031 4.371 4.340 0.000 0.000 0.198 336 Q C -0.305 175.708 176.000 0.022 0.000 0.960 336 Q CA 0.933 56.752 55.803 0.026 0.000 0.847 336 Q CB -0.051 28.702 28.738 0.025 0.000 0.915 336 Q HN 0.644 nan 8.270 nan 0.000 0.448 337 E N 2.109 122.325 120.200 0.027 0.000 2.331 337 E HA 0.137 4.487 4.350 0.000 0.000 0.272 337 E C -2.291 174.332 176.600 0.037 0.000 1.036 337 E CA -1.916 54.500 56.400 0.027 0.000 0.864 337 E CB 0.303 30.018 29.700 0.025 0.000 1.035 337 E HN 0.047 nan 8.360 nan 0.000 0.408 338 P HA 0.150 nan 4.420 nan 0.000 0.278 338 P C -0.785 176.546 177.300 0.051 0.000 1.238 338 P CA -0.209 62.919 63.100 0.047 0.000 0.794 338 P CB 0.700 32.421 31.700 0.035 0.000 0.955 339 L N 2.421 123.688 121.223 0.074 0.000 2.457 339 L HA 0.342 4.682 4.340 0.000 0.000 0.252 339 L C 0.176 177.096 176.870 0.084 0.000 1.132 339 L CA -0.236 54.646 54.840 0.070 0.000 0.938 339 L CB 0.814 42.923 42.059 0.084 0.000 1.246 339 L HN 0.189 nan 8.230 nan 0.000 0.476 340 E N 2.003 122.239 120.200 0.059 0.000 2.187 340 E HA 0.603 4.954 4.350 0.000 0.000 0.268 340 E C -0.439 176.180 176.600 0.032 0.000 0.896 340 E CA -0.475 55.961 56.400 0.059 0.000 0.766 340 E CB 2.866 32.591 29.700 0.042 0.000 1.142 340 E HN 0.437 nan 8.360 nan 0.000 0.408 341 A N 2.282 125.125 122.820 0.037 0.000 2.322 341 A HA 0.546 4.866 4.320 0.000 0.000 0.269 341 A C -0.268 177.263 177.584 -0.088 0.000 1.094 341 A CA -0.459 51.565 52.037 -0.021 0.000 0.807 341 A CB 0.766 19.762 19.000 -0.007 0.000 1.047 341 A HN 0.341 nan 8.150 nan 0.000 0.487 342 V N 1.836 121.686 119.914 -0.108 0.000 2.623 342 V HA 0.406 4.526 4.120 0.000 0.000 0.304 342 V C -0.157 175.849 176.094 -0.148 0.000 1.054 342 V CA 0.393 62.615 62.300 -0.129 0.000 0.882 342 V CB 1.414 33.191 31.823 -0.076 0.000 1.002 342 V HN 1.180 nan 8.190 nan 0.000 0.424 343 D N 4.115 124.398 120.400 -0.194 0.000 2.800 343 D HA -0.158 4.482 4.640 0.000 0.000 0.232 343 D C 1.121 177.316 176.300 -0.175 0.000 1.137 343 D CA 2.029 55.929 54.000 -0.165 0.000 0.718 343 D CB -1.050 39.694 40.800 -0.093 0.000 1.084 343 D HN 1.704 nan 8.370 nan 0.000 0.432 344 G N -0.981 107.642 108.800 -0.295 0.000 2.179 344 G HA2 -0.272 3.689 3.960 0.000 0.000 0.257 344 G HA3 -0.272 3.689 3.960 0.000 0.000 0.257 344 G C 0.182 175.042 174.900 -0.067 0.000 1.010 344 G CA 0.483 45.467 45.100 -0.194 0.000 0.736 344 G HN 0.606 nan 8.290 nan 0.000 0.513 345 L N -0.565 120.613 121.223 -0.076 0.000 2.349 345 L HA 0.694 5.034 4.340 0.000 0.000 0.278 345 L C 0.127 176.980 176.870 -0.029 0.000 0.996 345 L CA -1.114 53.705 54.840 -0.035 0.000 0.825 345 L CB 1.858 43.897 42.059 -0.034 0.000 1.243 345 L HN 0.165 nan 8.230 nan 0.000 0.412 346 M N 7.325 126.919 119.600 -0.009 0.000 2.129 346 M HA 0.495 4.975 4.480 0.000 0.000 0.348 346 M C -2.509 173.769 176.300 -0.036 0.000 1.116 346 M CA -2.156 53.139 55.300 -0.008 0.000 1.022 346 M CB 1.077 33.687 32.600 0.016 0.000 1.599 346 M HN 0.102 nan 8.290 nan 0.000 0.449 347 P HA 0.191 nan 4.420 nan 0.000 0.279 347 P C -1.034 176.212 177.300 -0.090 0.000 1.252 347 P CA -0.453 62.613 63.100 -0.056 0.000 0.811 347 P CB 0.630 32.306 31.700 -0.040 0.000 1.035 348 V N 3.883 123.720 119.914 -0.129 0.000 2.470 348 V HA 0.129 4.249 4.120 0.000 0.000 0.276 348 V C -1.606 174.400 176.094 -0.147 0.000 1.040 348 V CA -1.220 60.947 62.300 -0.222 0.000 1.008 348 V CB -0.116 31.536 31.823 -0.285 0.000 0.990 348 V HN 0.590 nan 8.190 nan 0.000 0.477 349 P HA 0.127 nan 4.420 nan 0.000 0.267 349 P C -0.393 176.913 177.300 0.010 0.000 1.209 349 P CA -0.082 63.002 63.100 -0.028 0.000 0.763 349 P CB 0.541 32.249 31.700 0.012 0.000 0.816 350 Q N 1.268 121.072 119.800 0.007 0.000 2.394 350 Q HA 0.533 4.873 4.340 0.000 0.000 0.248 350 Q C 0.756 176.768 176.000 0.021 0.000 0.992 350 Q CA 0.215 56.027 55.803 0.014 0.000 0.888 350 Q CB 0.640 29.379 28.738 0.001 0.000 1.257 350 Q HN 0.817 nan 8.270 nan 0.000 0.462 351 G N 1.183 109.992 108.800 0.015 0.000 2.423 351 G HA2 -0.070 3.890 3.960 0.000 0.000 0.684 351 G HA3 -0.070 3.890 3.960 0.000 0.000 0.684 351 G C -3.037 171.850 174.900 -0.022 0.000 1.309 351 G CA -1.158 43.939 45.100 -0.005 0.000 0.950 351 G HN 0.478 nan 8.290 nan 0.000 0.587 352 P HA 0.522 nan 4.420 nan 0.000 0.276 352 P C 1.291 178.512 177.300 -0.131 0.000 1.244 352 P CA 1.447 64.495 63.100 -0.087 0.000 0.801 352 P CB 0.991 32.639 31.700 -0.087 0.000 1.006 353 G N 1.574 110.264 108.800 -0.184 0.000 2.622 353 G HA2 -0.370 3.590 3.960 0.000 0.000 0.307 353 G HA3 -0.370 3.590 3.960 0.000 0.000 0.307 353 G C 1.132 175.751 174.900 -0.469 0.000 1.226 353 G CA 1.434 46.377 45.100 -0.260 0.000 0.997 353 G HN 0.727 nan 8.290 nan 0.000 0.551 354 T N -0.868 113.433 114.554 -0.422 0.000 3.007 354 T HA 0.334 4.684 4.350 0.000 0.000 0.270 354 T C 2.724 177.383 174.700 -0.067 0.000 1.107 354 T CA 1.901 63.742 62.100 -0.432 0.000 1.118 354 T CB -0.366 68.283 68.868 -0.364 0.000 0.889 354 T HN 2.787 nan 8.240 nan 0.000 0.506 355 G N 0.733 109.497 108.800 -0.060 0.000 2.155 355 G HA2 -0.197 3.763 3.960 0.000 0.000 0.257 355 G HA3 -0.197 3.763 3.960 0.000 0.000 0.257 355 G C 0.199 175.111 174.900 0.020 0.000 0.983 355 G CA 0.559 45.672 45.100 0.023 0.000 0.676 355 G HN 1.603 nan 8.290 nan 0.000 0.528 356 V N -3.816 116.098 119.914 -0.001 0.000 3.126 356 V HA 1.023 5.143 4.120 0.000 0.000 0.314 356 V C -0.143 175.952 176.094 0.003 0.000 1.138 356 V CA -0.192 62.114 62.300 0.010 0.000 1.034 356 V CB 2.229 34.067 31.823 0.024 0.000 1.075 356 V HN 0.675 nan 8.190 nan 0.000 0.442 357 T N 2.505 117.069 114.554 0.015 0.000 3.011 357 T HA 0.510 4.860 4.350 0.000 0.000 0.303 357 T C -0.509 174.207 174.700 0.028 0.000 0.997 357 T CA -0.437 61.673 62.100 0.017 0.000 1.007 357 T CB 1.162 70.040 68.868 0.016 0.000 1.017 357 T HN 0.796 nan 8.240 nan 0.000 0.443 358 L N 2.839 124.079 121.223 0.029 0.000 2.578 358 L HA 0.088 4.428 4.340 0.000 0.000 0.279 358 L C 0.705 177.605 176.870 0.050 0.000 1.227 358 L CA -0.023 54.840 54.840 0.038 0.000 0.900 358 L CB 0.265 42.342 42.059 0.029 0.000 1.144 358 L HN 0.659 nan 8.230 nan 0.000 0.496 359 D N 3.716 124.162 120.400 0.076 0.000 2.453 359 D HA 0.046 4.686 4.640 0.000 0.000 0.223 359 D C 1.077 177.437 176.300 0.101 0.000 1.183 359 D CA -0.280 53.781 54.000 0.102 0.000 0.933 359 D CB 0.650 41.539 40.800 0.148 0.000 1.038 359 D HN 0.290 nan 8.370 nan 0.000 0.513 360 R N 2.766 123.304 120.500 0.064 0.000 2.075 360 R HA -0.099 4.241 4.340 0.000 0.000 0.232 360 R C 1.461 177.781 176.300 0.033 0.000 1.126 360 R CA 0.990 57.114 56.100 0.039 0.000 0.963 360 R CB -0.220 30.100 30.300 0.033 0.000 0.858 360 R HN 0.446 nan 8.270 nan 0.000 0.435 361 E N 0.101 120.337 120.200 0.060 0.000 2.051 361 E HA -0.147 4.203 4.350 0.000 0.000 0.192 361 E C 1.701 178.352 176.600 0.084 0.000 0.991 361 E CA 1.142 57.579 56.400 0.062 0.000 0.799 361 E CB -0.523 29.222 29.700 0.076 0.000 0.748 361 E HN 0.310 nan 8.360 nan 0.000 0.449 362 F N 0.640 120.589 119.950 -0.002 0.000 2.113 362 F HA -0.153 4.374 4.527 0.000 0.000 0.297 362 F C 2.026 177.817 175.800 -0.015 0.000 1.103 362 F CA 0.666 58.663 58.000 -0.005 0.000 1.248 362 F CB -0.120 38.878 39.000 -0.004 0.000 0.999 362 F HN 0.071 nan 8.300 nan 0.000 0.475 363 L N 1.411 122.512 121.223 -0.203 0.000 2.021 363 L HA -0.228 4.112 4.340 0.000 0.000 0.215 363 L C 2.455 179.165 176.870 -0.266 0.000 1.074 363 L CA 2.231 56.908 54.840 -0.271 0.000 0.760 363 L CB -1.450 40.554 42.059 -0.092 0.000 0.889 363 L HN 0.213 nan 8.230 nan 0.000 0.433 364 A N -1.332 121.392 122.820 -0.160 0.000 1.940 364 A HA -0.248 4.072 4.320 0.000 0.000 0.219 364 A C 2.338 179.832 177.584 -0.149 0.000 1.176 364 A CA 2.392 54.358 52.037 -0.118 0.000 0.631 364 A CB -1.404 17.561 19.000 -0.060 0.000 0.814 364 A HN 0.676 nan 8.150 nan 0.000 0.446 365 T N -2.204 112.228 114.554 -0.204 0.000 3.007 365 T HA -0.004 4.346 4.350 0.000 0.000 0.270 365 T C 1.119 175.680 174.700 -0.232 0.000 1.107 365 T CA 1.518 63.508 62.100 -0.183 0.000 1.118 365 T CB -0.511 68.278 68.868 -0.132 0.000 0.889 365 T HN 0.890 nan 8.240 nan 0.000 0.506 366 V N -2.311 117.398 119.914 -0.342 0.000 3.276 366 V HA 0.399 4.519 4.120 0.000 0.000 0.319 366 V C 0.358 176.337 176.094 -0.191 0.000 1.427 366 V CA -0.684 61.450 62.300 -0.277 0.000 1.102 366 V CB -0.520 31.073 31.823 -0.383 0.000 1.020 366 V HN 0.200 nan 8.190 nan 0.000 0.456 367 T N 3.129 117.585 114.554 -0.164 0.000 2.851 367 T HA 0.251 4.601 4.350 0.000 0.000 0.298 367 T C 1.126 175.778 174.700 -0.081 0.000 0.977 367 T CA 0.674 62.707 62.100 -0.112 0.000 1.126 367 T CB 1.236 70.049 68.868 -0.093 0.000 0.916 367 T HN 0.818 nan 8.240 nan 0.000 0.529 368 E N 1.928 122.089 120.200 -0.065 0.000 2.447 368 E HA 0.426 4.776 4.350 0.000 0.000 0.204 368 E C 0.372 176.950 176.600 -0.037 0.000 0.977 368 E CA -0.375 55.995 56.400 -0.049 0.000 0.950 368 E CB 0.582 30.255 29.700 -0.045 0.000 0.975 368 E HN 0.506 nan 8.360 nan 0.000 0.496 369 A N 1.423 124.222 122.820 -0.035 0.000 2.520 369 A HA 0.523 4.843 4.320 0.000 0.000 0.298 369 A C -1.462 176.110 177.584 -0.019 0.000 1.051 369 A CA -0.859 51.164 52.037 -0.024 0.000 0.690 369 A CB 1.571 20.561 19.000 -0.016 0.000 1.281 369 A HN 0.249 nan 8.150 nan 0.000 0.402 370 Q N 0.690 120.480 119.800 -0.016 0.000 2.482 370 Q HA 0.758 5.098 4.340 0.000 0.000 0.286 370 Q C -1.334 174.656 176.000 -0.016 0.000 1.007 370 Q CA -0.952 54.846 55.803 -0.009 0.000 0.801 370 Q CB 2.108 30.838 28.738 -0.012 0.000 1.455 370 Q HN 0.814 nan 8.270 nan 0.000 0.398 371 E N 0.248 120.442 120.200 -0.011 0.000 2.375 371 E HA 0.473 4.823 4.350 0.000 0.000 0.280 371 E C -1.555 174.993 176.600 -0.086 0.000 0.972 371 E CA -0.939 55.416 56.400 -0.075 0.000 0.782 371 E CB 2.445 32.103 29.700 -0.071 0.000 1.229 371 E HN 0.627 nan 8.360 nan 0.000 0.439 372 E N 1.380 121.460 120.200 -0.201 0.000 2.238 372 E HA 0.316 4.666 4.350 0.000 0.000 0.267 372 E C -1.254 175.159 176.600 -0.312 0.000 0.887 372 E CA -0.768 55.552 56.400 -0.134 0.000 0.769 372 E CB 1.321 30.981 29.700 -0.067 0.000 1.187 372 E HN 0.475 nan 8.360 nan 0.000 0.416 373 H N 2.991 122.083 119.070 0.038 0.000 2.572 373 H HA 0.533 5.089 4.556 0.000 0.000 0.359 373 H C -0.235 175.119 175.328 0.043 0.000 1.134 373 H CA -0.691 55.379 56.048 0.036 0.000 1.187 373 H CB 1.686 31.473 29.762 0.043 0.000 1.597 373 H HN 0.411 nan 8.280 nan 0.000 0.524 374 R N 0.536 121.117 120.500 0.134 0.000 2.869 374 R HA 0.642 4.982 4.340 0.000 0.000 0.263 374 R C -0.322 176.029 176.300 0.086 0.000 1.066 374 R CA -0.996 55.160 56.100 0.093 0.000 0.960 374 R CB 1.944 32.272 30.300 0.046 0.000 1.221 374 R HN 0.622 nan 8.270 nan 0.000 0.474 375 A N 0.000 122.860 122.820 0.067 0.000 2.254 375 A HA 0.000 4.320 4.320 0.000 0.000 0.244 375 A CA 0.000 52.070 52.037 0.055 0.000 0.836 375 A CB 0.000 19.025 19.000 0.042 0.000 0.831 375 A HN 0.000 nan 8.150 nan 0.000 0.486