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 2bu8_1_A DATA FIRST_RESID 6 DATA SEQUENCE GSAPKYIEHF SKFSPSPLSM KQFLDFGSSN ACEKTSFTFL RQELPVRLAN DATA SEQUENCE IMKEINLLPD RVLSTPSVQL VQSWYVQSLL DIMEFLDKDP EDHRTLSQFT DATA SEQUENCE DALVTIRNRH NDVVPTMAQG VLEYKDTYGD DPVSNQNIQY FLDRFYLSRI DATA SEQUENCE SIRMLINQHT LIFDGSTNPA HPKHIGSIDP NCNVSEVVKD AYDMAKLLCD DATA SEQUENCE KYYMASPDLE IQEINAANSK QPIHMVYVPS HLYHMLFELF KNAMRATVES DATA SEQUENCE HESSLILPPI KVMVALGEED LSIKMSDRGG GVPLRKIERL FSYMYSTXXX DATA SEQUENCE XXXXXXXXPL AGFGYGLPIS RLYAKYFQGD LQLFSMEGFG TDAVIYLKAL DATA SEQUENCE STDSVERLPV YNKSAWRHYQ T 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 6 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 6 G C 0.000 174.862 174.900 -0.063 0.000 0.946 6 G CA 0.000 45.089 45.100 -0.018 0.000 0.502 7 S N -1.156 114.476 115.700 -0.112 0.000 2.937 7 S HA 0.564 5.034 4.470 -0.000 0.000 0.252 7 S C 1.878 176.253 174.600 -0.376 0.000 1.022 7 S CA 1.093 59.121 58.200 -0.286 0.000 1.079 7 S CB 0.876 63.802 63.200 -0.457 0.000 1.035 7 S HN 0.910 nan 8.310 nan 0.000 0.594 8 A N 3.121 125.895 122.820 -0.076 0.000 1.902 8 A HA 0.148 4.468 4.320 -0.000 0.000 0.217 8 A C -0.263 177.375 177.584 0.090 0.000 1.181 8 A CA 1.459 53.566 52.037 0.117 0.000 0.623 8 A CB -1.810 17.280 19.000 0.151 0.000 0.818 8 A HN 0.525 nan 8.150 nan 0.000 0.443 9 P HA -0.152 nan 4.420 nan 0.000 0.220 9 P C 1.522 178.848 177.300 0.043 0.000 1.148 9 P CA 1.501 64.624 63.100 0.038 0.000 0.803 9 P CB 0.023 31.729 31.700 0.009 0.000 0.782 10 K N -1.286 119.093 120.400 -0.035 0.000 2.031 10 K HA -0.144 4.176 4.320 -0.000 0.000 0.205 10 K C 1.863 178.536 176.600 0.121 0.000 1.049 10 K CA 1.259 57.525 56.287 -0.035 0.000 0.939 10 K CB -0.415 31.974 32.500 -0.186 0.000 0.717 10 K HN 0.003 nan 8.250 nan 0.000 0.438 11 Y N 1.494 121.906 120.300 0.187 0.000 2.114 11 Y HA -0.183 4.367 4.550 -0.000 0.000 0.284 11 Y C 2.181 178.313 175.900 0.387 0.000 1.143 11 Y CA 0.978 59.278 58.100 0.333 0.000 1.135 11 Y CB -0.623 38.019 38.460 0.303 0.000 0.980 11 Y HN 0.017 nan 8.280 nan 0.000 0.499 12 I N -0.133 120.687 120.570 0.416 0.000 2.118 12 I HA -0.325 3.845 4.170 -0.000 0.000 0.241 12 I C 2.469 178.738 176.117 0.254 0.000 1.070 12 I CA 2.063 63.536 61.300 0.288 0.000 1.327 12 I CB -0.387 37.719 38.000 0.177 0.000 1.034 12 I HN 0.137 nan 8.210 nan 0.000 0.405 13 E N 0.355 120.681 120.200 0.209 0.000 2.153 13 E HA -0.284 4.066 4.350 -0.000 0.000 0.194 13 E C 1.966 178.694 176.600 0.213 0.000 0.988 13 E CA 1.574 58.080 56.400 0.177 0.000 0.811 13 E CB -0.168 29.610 29.700 0.129 0.000 0.746 13 E HN 0.562 nan 8.360 nan 0.000 0.466 14 H N -0.814 118.341 119.070 0.142 0.000 2.260 14 H HA -0.015 4.541 4.556 -0.000 0.000 0.304 14 H C 1.446 176.843 175.328 0.114 0.000 1.059 14 H CA 2.126 58.208 56.048 0.056 0.000 1.305 14 H CB -0.739 28.965 29.762 -0.096 0.000 1.388 14 H HN 0.234 nan 8.280 nan 0.000 0.496 15 F N 0.039 119.977 119.950 -0.019 0.000 2.408 15 F HA -0.108 4.419 4.527 -0.000 0.000 0.300 15 F C 2.765 178.631 175.800 0.110 0.000 1.090 15 F CA 1.093 59.035 58.000 -0.097 0.000 1.427 15 F CB -0.394 38.538 39.000 -0.114 0.000 1.070 15 F HN 0.230 nan 8.300 nan 0.000 0.549 16 S N -0.335 115.528 115.700 0.272 0.000 2.603 16 S HA -0.079 4.391 4.470 -0.000 0.000 0.229 16 S C 2.056 176.801 174.600 0.242 0.000 0.972 16 S CA 0.630 58.980 58.200 0.250 0.000 0.935 16 S CB -0.235 63.091 63.200 0.210 0.000 0.769 16 S HN 0.133 nan 8.310 nan 0.000 0.536 17 K N 0.372 120.892 120.400 0.200 0.000 2.243 17 K HA 0.177 4.497 4.320 -0.000 0.000 0.201 17 K C 0.099 176.695 176.600 -0.007 0.000 1.051 17 K CA 0.282 56.599 56.287 0.050 0.000 0.970 17 K CB -0.259 32.178 32.500 -0.105 0.000 0.755 17 K HN 0.372 nan 8.250 nan 0.000 0.465 18 F N 1.035 120.971 119.950 -0.024 0.000 2.378 18 F HA 0.185 4.712 4.527 -0.000 0.000 0.319 18 F C 0.976 176.801 175.800 0.041 0.000 1.155 18 F CA -0.575 57.426 58.000 0.002 0.000 1.157 18 F CB 0.586 39.587 39.000 0.003 0.000 1.252 18 F HN -0.337 nan 8.300 nan 0.000 0.550 19 S N 1.187 117.021 115.700 0.223 0.000 2.537 19 S HA 0.550 5.020 4.470 -0.000 0.000 0.301 19 S C -2.545 172.145 174.600 0.149 0.000 1.092 19 S CA -1.265 57.026 58.200 0.151 0.000 1.048 19 S CB 1.644 64.901 63.200 0.097 0.000 1.053 19 S HN 0.224 nan 8.310 nan 0.000 0.501 20 P HA 0.239 nan 4.420 nan 0.000 0.272 20 P C -1.020 176.343 177.300 0.104 0.000 1.223 20 P CA -0.259 62.895 63.100 0.090 0.000 0.784 20 P CB 0.453 32.195 31.700 0.070 0.000 0.923 21 S N 3.030 118.803 115.700 0.121 0.000 2.461 21 S HA 0.381 4.851 4.470 -0.000 0.000 0.322 21 S C -2.378 172.317 174.600 0.158 0.000 1.063 21 S CA -1.078 57.213 58.200 0.151 0.000 1.120 21 S CB 0.183 63.508 63.200 0.210 0.000 0.968 21 S HN 0.314 nan 8.310 nan 0.000 0.467 22 P HA 0.210 nan 4.420 nan 0.000 0.267 22 P C -0.907 176.444 177.300 0.085 0.000 1.205 22 P CA -0.120 63.041 63.100 0.102 0.000 0.765 22 P CB 0.413 32.158 31.700 0.075 0.000 0.828 23 L N 1.965 123.235 121.223 0.078 0.000 2.331 23 L HA 0.474 4.814 4.340 -0.000 0.000 0.275 23 L C 0.844 177.811 176.870 0.162 0.000 1.022 23 L CA -0.731 54.087 54.840 -0.035 0.000 0.812 23 L CB 1.721 43.480 42.059 -0.499 0.000 1.257 23 L HN 0.388 nan 8.230 nan 0.000 0.435 24 S N 1.146 116.927 115.700 0.134 0.000 2.652 24 S HA 0.253 4.723 4.470 -0.000 0.000 0.270 24 S C 0.689 175.511 174.600 0.371 0.000 1.243 24 S CA -0.705 57.636 58.200 0.235 0.000 0.999 24 S CB 1.408 64.681 63.200 0.122 0.000 0.973 24 S HN 0.700 nan 8.310 nan 0.000 0.544 25 M N 0.760 120.535 119.600 0.292 0.000 2.279 25 M HA 0.030 4.510 4.480 -0.000 0.000 0.264 25 M C 1.861 178.268 176.300 0.178 0.000 1.062 25 M CA 1.627 57.041 55.300 0.191 0.000 1.099 25 M CB -0.607 31.942 32.600 -0.085 0.000 1.394 25 M HN 0.861 nan 8.290 nan 0.000 0.426 26 K N -0.728 119.745 120.400 0.122 0.000 2.031 26 K HA -0.096 4.224 4.320 -0.000 0.000 0.205 26 K C 1.957 178.602 176.600 0.075 0.000 1.049 26 K CA 1.460 57.791 56.287 0.074 0.000 0.939 26 K CB -0.034 32.489 32.500 0.038 0.000 0.717 26 K HN 0.445 nan 8.250 nan 0.000 0.438 27 Q N -0.553 119.278 119.800 0.052 0.000 2.061 27 Q HA -0.193 4.147 4.340 -0.000 0.000 0.204 27 Q C 1.968 178.013 176.000 0.075 0.000 0.984 27 Q CA 1.935 57.724 55.803 -0.023 0.000 0.846 27 Q CB -0.230 28.446 28.738 -0.103 0.000 0.902 27 Q HN 0.271 nan 8.270 nan 0.000 0.421 28 F N 0.583 120.619 119.950 0.143 0.000 2.126 28 F HA -0.245 4.282 4.527 0.000 0.000 0.299 28 F C 2.113 177.984 175.800 0.118 0.000 1.096 28 F CA 1.036 59.130 58.000 0.157 0.000 1.255 28 F CB -0.122 38.936 39.000 0.097 0.000 0.997 28 F HN 0.045 nan 8.300 nan 0.000 0.479 29 L N -0.538 120.833 121.223 0.246 0.000 2.056 29 L HA -0.218 4.122 4.340 -0.000 0.000 0.207 29 L C 1.822 178.751 176.870 0.098 0.000 1.078 29 L CA 1.175 56.092 54.840 0.128 0.000 0.749 29 L CB -0.484 41.614 42.059 0.066 0.000 0.901 29 L HN 0.056 nan 8.230 nan 0.000 0.433 30 D N -0.956 119.485 120.400 0.069 0.000 2.277 30 D HA -0.120 4.520 4.640 -0.000 0.000 0.208 30 D C 1.923 178.237 176.300 0.023 0.000 0.962 30 D CA 0.743 54.749 54.000 0.010 0.000 0.865 30 D CB 0.108 40.872 40.800 -0.060 0.000 0.939 30 D HN 0.137 nan 8.370 nan 0.000 0.510 31 F N 1.062 121.010 119.950 -0.003 0.000 2.234 31 F HA 0.025 4.552 4.527 -0.000 0.000 0.299 31 F C 2.364 178.207 175.800 0.072 0.000 1.087 31 F CA 1.154 59.160 58.000 0.011 0.000 1.340 31 F CB -0.154 38.829 39.000 -0.028 0.000 1.031 31 F HN -0.011 nan 8.300 nan 0.000 0.500 32 G N -2.412 106.540 108.800 0.253 0.000 2.719 32 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.211 32 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.211 32 G C 1.586 176.530 174.900 0.073 0.000 1.140 32 G CA 0.660 45.822 45.100 0.104 0.000 0.790 32 G HN 0.335 nan 8.290 nan 0.000 0.529 33 S N 0.123 115.868 115.700 0.075 0.000 2.359 33 S HA -0.030 4.440 4.470 -0.000 0.000 0.186 33 S C 2.455 177.083 174.600 0.047 0.000 1.163 33 S CA 1.657 59.883 58.200 0.044 0.000 1.479 33 S CB -0.361 62.856 63.200 0.029 0.000 0.880 33 S HN 0.255 nan 8.310 nan 0.000 0.395 34 S N 0.963 116.680 115.700 0.028 0.000 2.327 34 S HA -0.010 4.460 4.470 -0.000 0.000 0.213 34 S C 2.003 176.616 174.600 0.022 0.000 1.032 34 S CA 1.091 59.303 58.200 0.019 0.000 0.960 34 S CB -1.066 62.132 63.200 -0.003 0.000 0.900 34 S HN 0.601 nan 8.310 nan 0.000 0.469 35 N N 2.347 121.041 118.700 -0.011 0.000 2.137 35 N HA -0.061 4.679 4.740 -0.000 0.000 0.190 35 N C 0.546 176.088 175.510 0.054 0.000 1.017 35 N CA 1.002 54.034 53.050 -0.030 0.000 0.859 35 N CB -0.975 37.419 38.487 -0.155 0.000 1.002 35 N HN 0.476 nan 8.380 nan 0.000 0.428 36 A N 0.409 123.309 122.820 0.133 0.000 2.498 36 A HA -0.008 4.312 4.320 -0.000 0.000 0.287 36 A C -0.155 177.566 177.584 0.228 0.000 1.000 36 A CA 0.578 52.782 52.037 0.278 0.000 1.036 36 A CB -1.056 18.103 19.000 0.265 0.000 0.842 36 A HN 0.445 nan 8.150 nan 0.000 0.474 37 C N 3.096 122.503 119.300 0.178 0.000 2.968 37 C HA 0.256 4.716 4.460 -0.000 0.000 0.389 37 C C 1.278 176.177 174.990 -0.152 0.000 1.068 37 C CA -0.427 58.590 59.018 -0.002 0.000 1.272 37 C CB 0.509 28.253 27.740 0.007 0.000 1.711 37 C HN 1.039 nan 8.230 nan 0.000 0.501 38 E N 1.466 121.288 120.200 -0.630 0.000 2.355 38 E HA -0.307 4.043 4.350 -0.000 0.000 0.209 38 E C 1.448 177.969 176.600 -0.131 0.000 1.050 38 E CA 1.473 57.415 56.400 -0.763 0.000 0.843 38 E CB 0.099 29.254 29.700 -0.909 0.000 0.742 38 E HN 0.726 nan 8.360 nan 0.000 0.489 39 K N 0.493 120.838 120.400 -0.091 0.000 2.026 39 K HA -0.094 4.226 4.320 -0.000 0.000 0.208 39 K C 2.352 179.045 176.600 0.155 0.000 1.048 39 K CA 1.778 58.092 56.287 0.045 0.000 0.929 39 K CB -0.240 32.262 32.500 0.003 0.000 0.713 39 K HN 0.111 nan 8.250 nan 0.000 0.439 40 T N 0.541 115.180 114.554 0.143 0.000 2.777 40 T HA -0.145 4.205 4.350 -0.000 0.000 0.266 40 T C 2.100 177.037 174.700 0.394 0.000 1.040 40 T CA 1.607 63.836 62.100 0.215 0.000 1.141 40 T CB -0.208 68.762 68.868 0.169 0.000 0.868 40 T HN 0.205 nan 8.240 nan 0.000 0.444 41 S N 0.511 116.474 115.700 0.438 0.000 2.357 41 S HA -0.063 4.407 4.470 -0.000 0.000 0.221 41 S C 1.778 176.547 174.600 0.281 0.000 1.031 41 S CA 0.798 59.273 58.200 0.459 0.000 0.982 41 S CB -0.582 62.969 63.200 0.585 0.000 0.853 41 S HN 0.435 nan 8.310 nan 0.000 0.458 42 F N 2.546 122.507 119.950 0.018 0.000 2.065 42 F HA -0.134 4.393 4.527 -0.000 0.000 0.298 42 F C 2.312 177.910 175.800 -0.336 0.000 1.112 42 F CA 2.348 60.128 58.000 -0.366 0.000 1.212 42 F CB -1.156 37.619 39.000 -0.375 0.000 0.975 42 F HN 0.194 nan 8.300 nan 0.000 0.476 43 T N 0.642 115.058 114.554 -0.229 0.000 2.915 43 T HA -0.178 4.172 4.350 -0.000 0.000 0.269 43 T C 1.591 176.202 174.700 -0.150 0.000 1.071 43 T CA 1.395 63.336 62.100 -0.264 0.000 1.132 43 T CB -0.687 68.185 68.868 0.006 0.000 0.878 43 T HN 0.394 nan 8.240 nan 0.000 0.479 44 F N 1.829 121.710 119.950 -0.115 0.000 2.094 44 F HA 0.147 4.674 4.527 -0.000 0.000 0.291 44 F C 1.832 177.551 175.800 -0.134 0.000 1.109 44 F CA 0.909 58.885 58.000 -0.039 0.000 1.221 44 F CB -0.560 38.522 39.000 0.137 0.000 1.014 44 F HN -0.009 nan 8.300 nan 0.000 0.473 45 L N 0.163 121.210 121.223 -0.294 0.000 2.191 45 L HA -0.174 4.166 4.340 -0.000 0.000 0.212 45 L C 2.517 179.182 176.870 -0.342 0.000 1.103 45 L CA 1.133 55.768 54.840 -0.342 0.000 0.769 45 L CB -0.684 41.367 42.059 -0.014 0.000 0.908 45 L HN 0.115 nan 8.230 nan 0.000 0.438 46 R N -0.677 119.523 120.500 -0.501 0.000 2.120 46 R HA -0.164 4.176 4.340 -0.000 0.000 0.234 46 R C 2.309 178.386 176.300 -0.370 0.000 1.123 46 R CA 1.114 56.921 56.100 -0.488 0.000 0.975 46 R CB -0.109 29.763 30.300 -0.713 0.000 0.866 46 R HN 0.396 nan 8.270 nan 0.000 0.446 47 Q N -0.474 119.101 119.800 -0.375 0.000 2.324 47 Q HA -0.051 4.289 4.340 -0.000 0.000 0.207 47 Q C 1.683 177.451 176.000 -0.387 0.000 0.928 47 Q CA 0.657 56.270 55.803 -0.315 0.000 0.890 47 Q CB 0.513 29.115 28.738 -0.227 0.000 1.001 47 Q HN 0.092 nan 8.270 nan 0.000 0.517 48 E N 1.156 121.042 120.200 -0.523 0.000 2.031 48 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 48 E C 2.083 178.470 176.600 -0.357 0.000 0.994 48 E CA 1.096 57.182 56.400 -0.523 0.000 0.800 48 E CB -0.382 28.729 29.700 -0.982 0.000 0.752 48 E HN 0.236 nan 8.360 nan 0.000 0.447 49 L N 0.290 121.305 121.223 -0.348 0.000 2.012 49 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 49 L C -0.579 176.122 176.870 -0.282 0.000 1.073 49 L CA 1.643 56.325 54.840 -0.264 0.000 0.748 49 L CB -1.421 40.494 42.059 -0.240 0.000 0.891 49 L HN 0.211 nan 8.230 nan 0.000 0.431 50 P HA -0.110 nan 4.420 nan 0.000 0.220 50 P C 1.806 178.862 177.300 -0.407 0.000 1.148 50 P CA 0.979 63.728 63.100 -0.585 0.000 0.803 50 P CB 0.125 31.133 31.700 -1.155 0.000 0.782 51 V N -0.337 119.418 119.914 -0.265 0.000 2.453 51 V HA -0.154 3.966 4.120 -0.000 0.000 0.247 51 V C 2.368 178.451 176.094 -0.018 0.000 1.048 51 V CA 1.620 63.883 62.300 -0.061 0.000 1.049 51 V CB -0.883 30.910 31.823 -0.051 0.000 0.672 51 V HN 0.080 nan 8.190 nan 0.000 0.457 52 R N -0.260 120.199 120.500 -0.069 0.000 2.090 52 R HA 0.034 4.374 4.340 -0.000 0.000 0.228 52 R C 2.303 178.594 176.300 -0.015 0.000 1.110 52 R CA 1.072 57.151 56.100 -0.035 0.000 0.973 52 R CB -0.351 29.913 30.300 -0.060 0.000 0.869 52 R HN 0.399 nan 8.270 nan 0.000 0.440 53 L N 0.294 121.498 121.223 -0.031 0.000 2.017 53 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 53 L C 2.719 179.633 176.870 0.073 0.000 1.073 53 L CA 1.302 56.172 54.840 0.050 0.000 0.745 53 L CB -0.620 41.444 42.059 0.008 0.000 0.894 53 L HN 0.220 nan 8.230 nan 0.000 0.432 54 A N 0.281 123.127 122.820 0.044 0.000 1.902 54 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 54 A C 2.006 179.637 177.584 0.079 0.000 1.181 54 A CA 2.285 54.378 52.037 0.094 0.000 0.623 54 A CB -0.747 18.352 19.000 0.164 0.000 0.818 54 A HN 0.443 nan 8.150 nan 0.000 0.443 55 N N -0.689 118.060 118.700 0.082 0.000 2.120 55 N HA -0.116 4.624 4.740 -0.000 0.000 0.188 55 N C 1.468 177.001 175.510 0.038 0.000 1.024 55 N CA 1.433 54.536 53.050 0.089 0.000 0.852 55 N CB -0.245 38.313 38.487 0.118 0.000 1.003 55 N HN 0.445 nan 8.380 nan 0.000 0.424 56 I N 0.365 120.946 120.570 0.018 0.000 2.439 56 I HA -0.033 4.137 4.170 -0.000 0.000 0.251 56 I C 1.637 177.747 176.117 -0.012 0.000 1.139 56 I CA 1.073 62.370 61.300 -0.005 0.000 1.438 56 I CB -0.124 37.833 38.000 -0.071 0.000 1.085 56 I HN 0.178 nan 8.210 nan 0.000 0.427 57 M N -0.543 119.049 119.600 -0.014 0.000 2.229 57 M HA -0.148 4.332 4.480 -0.000 0.000 0.264 57 M C 2.105 178.374 176.300 -0.053 0.000 1.063 57 M CA 1.178 56.466 55.300 -0.019 0.000 1.114 57 M CB -0.352 32.279 32.600 0.052 0.000 1.387 57 M HN -0.020 nan 8.290 nan 0.000 0.420 58 K N 0.688 121.035 120.400 -0.089 0.000 2.097 58 K HA -0.166 4.154 4.320 -0.000 0.000 0.205 58 K C 1.708 178.129 176.600 -0.299 0.000 1.050 58 K CA 1.502 57.656 56.287 -0.221 0.000 0.938 58 K CB -0.130 32.158 32.500 -0.354 0.000 0.718 58 K HN 0.426 nan 8.250 nan 0.000 0.442 59 E N 0.216 120.298 120.200 -0.196 0.000 2.072 59 E HA -0.098 4.252 4.350 -0.000 0.000 0.191 59 E C 2.142 178.705 176.600 -0.061 0.000 0.985 59 E CA 0.776 57.136 56.400 -0.066 0.000 0.801 59 E CB -0.003 29.775 29.700 0.129 0.000 0.750 59 E HN 0.211 nan 8.360 nan 0.000 0.452 60 I N 1.521 122.075 120.570 -0.028 0.000 2.127 60 I HA -0.322 3.848 4.170 -0.000 0.000 0.241 60 I C 1.975 177.959 176.117 -0.222 0.000 1.075 60 I CA 0.996 62.215 61.300 -0.136 0.000 1.334 60 I CB -0.377 37.557 38.000 -0.110 0.000 1.040 60 I HN 0.172 nan 8.210 nan 0.000 0.405 61 N N 0.819 119.426 118.700 -0.155 0.000 2.417 61 N HA -0.131 4.609 4.740 -0.000 0.000 0.187 61 N C 1.370 176.796 175.510 -0.139 0.000 1.027 61 N CA 1.118 54.088 53.050 -0.134 0.000 0.891 61 N CB -0.156 38.278 38.487 -0.087 0.000 0.956 61 N HN 0.420 nan 8.380 nan 0.000 0.442 62 L N 0.410 121.531 121.223 -0.171 0.000 2.700 62 L HA 0.250 4.590 4.340 -0.000 0.000 0.234 62 L C 0.361 177.061 176.870 -0.283 0.000 1.156 62 L CA -0.175 54.578 54.840 -0.146 0.000 0.946 62 L CB 0.058 42.093 42.059 -0.041 0.000 1.216 62 L HN -0.036 nan 8.230 nan 0.000 0.493 63 L N 0.832 121.840 121.223 -0.359 0.000 2.417 63 L HA 0.254 4.594 4.340 -0.000 0.000 0.268 63 L C -1.821 174.869 176.870 -0.300 0.000 1.158 63 L CA -1.749 52.819 54.840 -0.453 0.000 0.819 63 L CB 0.403 42.125 42.059 -0.561 0.000 1.112 63 L HN -0.163 nan 8.230 nan 0.000 0.458 64 P HA -0.089 nan 4.420 nan 0.000 0.264 64 P C -0.112 177.091 177.300 -0.161 0.000 1.179 64 P CA 0.188 63.178 63.100 -0.185 0.000 0.763 64 P CB 0.502 32.100 31.700 -0.170 0.000 0.806 65 D N 2.164 122.492 120.400 -0.120 0.000 2.218 65 D HA -0.170 4.470 4.640 -0.000 0.000 0.204 65 D C 1.777 178.029 176.300 -0.081 0.000 0.976 65 D CA 1.071 55.013 54.000 -0.096 0.000 0.853 65 D CB 0.028 40.787 40.800 -0.068 0.000 0.939 65 D HN 0.365 nan 8.370 nan 0.000 0.481 66 R N -0.621 119.826 120.500 -0.088 0.000 2.189 66 R HA -0.039 4.301 4.340 -0.000 0.000 0.223 66 R C 1.513 177.813 176.300 -0.001 0.000 1.092 66 R CA 1.065 57.136 56.100 -0.049 0.000 0.989 66 R CB -0.223 29.967 30.300 -0.184 0.000 0.876 66 R HN 0.135 nan 8.270 nan 0.000 0.457 67 V N 0.944 120.824 119.914 -0.057 0.000 2.672 67 V HA -0.031 4.089 4.120 -0.000 0.000 0.242 67 V C 2.356 178.370 176.094 -0.132 0.000 1.059 67 V CA 0.547 62.807 62.300 -0.066 0.000 1.081 67 V CB -0.338 31.383 31.823 -0.169 0.000 0.752 67 V HN 0.186 nan 8.190 nan 0.000 0.472 68 L N 1.169 122.293 121.223 -0.165 0.000 1.997 68 L HA -0.251 4.089 4.340 -0.000 0.000 0.216 68 L C 2.721 179.517 176.870 -0.122 0.000 1.074 68 L CA 2.405 57.144 54.840 -0.168 0.000 0.763 68 L CB -0.430 41.538 42.059 -0.151 0.000 0.890 68 L HN 0.601 nan 8.230 nan 0.000 0.434 69 S N -1.610 114.039 115.700 -0.085 0.000 2.500 69 S HA -0.094 4.376 4.470 -0.000 0.000 0.239 69 S C 1.043 175.608 174.600 -0.057 0.000 0.989 69 S CA 0.555 58.717 58.200 -0.063 0.000 0.951 69 S CB -1.377 61.798 63.200 -0.040 0.000 0.759 69 S HN 0.616 nan 8.310 nan 0.000 0.523 70 T N -0.006 114.513 114.554 -0.057 0.000 2.932 70 T HA 0.222 4.572 4.350 -0.000 0.000 0.312 70 T C -1.767 172.888 174.700 -0.075 0.000 1.071 70 T CA -1.122 60.949 62.100 -0.048 0.000 1.128 70 T CB 0.454 69.302 68.868 -0.033 0.000 0.984 70 T HN -0.032 nan 8.240 nan 0.000 0.549 71 P HA -0.110 nan 4.420 nan 0.000 0.216 71 P C 1.739 178.967 177.300 -0.120 0.000 1.150 71 P CA 1.123 64.174 63.100 -0.081 0.000 0.843 71 P CB -0.072 31.594 31.700 -0.056 0.000 0.787 72 S N -0.347 115.288 115.700 -0.108 0.000 2.363 72 S HA -0.148 4.322 4.470 -0.000 0.000 0.218 72 S C 2.054 176.529 174.600 -0.208 0.000 1.035 72 S CA 1.683 59.800 58.200 -0.139 0.000 1.043 72 S CB -1.580 61.565 63.200 -0.092 0.000 0.986 72 S HN -0.054 nan 8.310 nan 0.000 0.423 73 V N 1.852 121.652 119.914 -0.191 0.000 2.332 73 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 73 V C 2.704 178.662 176.094 -0.228 0.000 1.055 73 V CA 2.005 64.166 62.300 -0.233 0.000 1.038 73 V CB -0.880 30.802 31.823 -0.235 0.000 0.651 73 V HN 0.314 nan 8.190 nan 0.000 0.450 74 Q N -0.530 119.155 119.800 -0.191 0.000 2.084 74 Q HA -0.171 4.169 4.340 -0.000 0.000 0.202 74 Q C 1.993 177.855 176.000 -0.229 0.000 0.978 74 Q CA 1.734 57.434 55.803 -0.171 0.000 0.844 74 Q CB -0.572 28.090 28.738 -0.127 0.000 0.898 74 Q HN 0.579 nan 8.270 nan 0.000 0.426 75 L N -0.777 120.263 121.223 -0.306 0.000 2.017 75 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 75 L C 2.017 178.378 176.870 -0.848 0.000 1.073 75 L CA 1.587 56.136 54.840 -0.485 0.000 0.745 75 L CB -0.867 40.910 42.059 -0.469 0.000 0.894 75 L HN 0.093 nan 8.230 nan 0.000 0.432 76 V N -0.121 119.325 119.914 -0.780 0.000 2.343 76 V HA -0.338 3.782 4.120 -0.000 0.000 0.247 76 V C 2.654 178.666 176.094 -0.136 0.000 1.051 76 V CA 2.018 63.923 62.300 -0.658 0.000 1.036 76 V CB -0.678 30.984 31.823 -0.268 0.000 0.654 76 V HN 0.701 nan 8.190 nan 0.000 0.451 77 Q N 0.317 120.028 119.800 -0.147 0.000 2.234 77 Q HA -0.212 4.128 4.340 -0.000 0.000 0.206 77 Q C 2.263 178.297 176.000 0.057 0.000 0.980 77 Q CA 1.953 57.745 55.803 -0.018 0.000 0.869 77 Q CB -0.124 28.559 28.738 -0.092 0.000 0.912 77 Q HN 0.803 nan 8.270 nan 0.000 0.436 78 S N -1.289 114.378 115.700 -0.055 0.000 2.414 78 S HA -0.082 4.388 4.470 -0.000 0.000 0.227 78 S C 1.388 176.086 174.600 0.164 0.000 1.022 78 S CA 0.299 58.509 58.200 0.016 0.000 0.958 78 S CB -0.497 62.669 63.200 -0.057 0.000 0.797 78 S HN 0.512 nan 8.310 nan 0.000 0.493 79 W N 1.204 122.527 121.300 0.038 0.000 2.379 79 W HA 0.110 4.770 4.660 -0.000 0.000 0.307 79 W C 2.110 178.636 176.519 0.012 0.000 1.200 79 W CA 0.126 57.403 57.345 -0.113 0.000 1.297 79 W CB -1.575 27.619 29.460 -0.443 0.000 1.140 79 W HN 0.363 nan 8.180 nan 0.000 0.507 80 Y N 0.044 120.574 120.300 0.383 0.000 2.274 80 Y HA -0.179 4.371 4.550 -0.000 0.000 0.290 80 Y C 2.524 178.539 175.900 0.193 0.000 1.145 80 Y CA 1.344 59.652 58.100 0.347 0.000 1.203 80 Y CB -1.182 37.448 38.460 0.283 0.000 0.984 80 Y HN -0.317 nan 8.280 nan 0.000 0.533 81 V N -0.604 119.484 119.914 0.291 0.000 2.358 81 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 81 V C 2.245 178.435 176.094 0.161 0.000 1.047 81 V CA 1.878 64.295 62.300 0.196 0.000 1.035 81 V CB -0.480 31.433 31.823 0.150 0.000 0.658 81 V HN 0.258 nan 8.190 nan 0.000 0.452 82 Q N -0.044 119.851 119.800 0.158 0.000 2.172 82 Q HA -0.097 4.243 4.340 -0.000 0.000 0.200 82 Q C 2.424 178.478 176.000 0.090 0.000 0.964 82 Q CA 1.776 57.650 55.803 0.119 0.000 0.855 82 Q CB -0.359 28.449 28.738 0.117 0.000 0.918 82 Q HN 0.595 nan 8.270 nan 0.000 0.444 83 S N 0.044 115.803 115.700 0.099 0.000 2.383 83 S HA -0.103 4.367 4.470 -0.000 0.000 0.227 83 S C 1.591 176.188 174.600 -0.005 0.000 1.026 83 S CA 0.887 59.112 58.200 0.041 0.000 0.981 83 S CB -0.336 62.892 63.200 0.047 0.000 0.818 83 S HN 0.373 nan 8.310 nan 0.000 0.472 84 L N 2.350 123.584 121.223 0.018 0.000 1.970 84 L HA -0.045 4.295 4.340 -0.000 0.000 0.212 84 L C 1.939 178.771 176.870 -0.063 0.000 1.071 84 L CA 1.783 56.596 54.840 -0.044 0.000 0.751 84 L CB -0.902 41.170 42.059 0.021 0.000 0.889 84 L HN 0.285 nan 8.230 nan 0.000 0.432 85 L N -0.618 120.615 121.223 0.017 0.000 2.127 85 L HA -0.245 4.095 4.340 -0.000 0.000 0.211 85 L C 2.201 179.089 176.870 0.031 0.000 1.089 85 L CA 1.412 56.269 54.840 0.028 0.000 0.757 85 L CB -0.953 41.173 42.059 0.113 0.000 0.899 85 L HN 0.329 nan 8.230 nan 0.000 0.434 86 D N 0.450 120.876 120.400 0.043 0.000 2.097 86 D HA -0.154 4.486 4.640 -0.000 0.000 0.195 86 D C 2.217 178.611 176.300 0.157 0.000 0.989 86 D CA 1.300 55.346 54.000 0.077 0.000 0.827 86 D CB -0.011 40.812 40.800 0.038 0.000 0.966 86 D HN 0.288 nan 8.370 nan 0.000 0.456 87 I N -0.040 120.573 120.570 0.072 0.000 2.716 87 I HA -0.139 4.031 4.170 -0.000 0.000 0.259 87 I C 1.903 178.147 176.117 0.212 0.000 1.172 87 I CA 0.237 61.615 61.300 0.131 0.000 1.478 87 I CB -0.105 37.859 38.000 -0.061 0.000 1.104 87 I HN 0.029 nan 8.210 nan 0.000 0.439 88 M N 0.519 120.128 119.600 0.015 0.000 2.106 88 M HA -0.220 4.260 4.480 -0.000 0.000 0.259 88 M C 2.092 178.427 176.300 0.058 0.000 1.068 88 M CA 1.660 56.918 55.300 -0.070 0.000 1.100 88 M CB -1.193 31.251 32.600 -0.261 0.000 1.351 88 M HN 0.230 nan 8.290 nan 0.000 0.404 89 E N -0.197 120.053 120.200 0.083 0.000 2.253 89 E HA -0.208 4.142 4.350 -0.000 0.000 0.202 89 E C 1.664 178.162 176.600 -0.170 0.000 1.014 89 E CA 1.422 57.774 56.400 -0.080 0.000 0.823 89 E CB -0.601 28.960 29.700 -0.231 0.000 0.736 89 E HN 0.610 nan 8.360 nan 0.000 0.478 90 F N -0.312 119.685 119.950 0.078 0.000 2.727 90 F HA 0.177 4.704 4.527 -0.000 0.000 0.302 90 F C 2.061 177.881 175.800 0.033 0.000 1.097 90 F CA -0.260 57.818 58.000 0.129 0.000 1.330 90 F CB -0.037 39.117 39.000 0.256 0.000 1.084 90 F HN -0.113 nan 8.300 nan 0.000 0.578 91 L N 0.782 122.081 121.223 0.128 0.000 2.131 91 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 91 L C 2.025 178.930 176.870 0.059 0.000 1.092 91 L CA 1.580 56.449 54.840 0.047 0.000 0.759 91 L CB -0.342 41.745 42.059 0.047 0.000 0.903 91 L HN 0.325 nan 8.230 nan 0.000 0.435 92 D N -2.000 118.441 120.400 0.069 0.000 2.379 92 D HA -0.013 4.627 4.640 -0.000 0.000 0.208 92 D C 0.578 176.922 176.300 0.074 0.000 1.065 92 D CA -0.129 53.906 54.000 0.060 0.000 0.848 92 D CB 0.281 41.106 40.800 0.040 0.000 0.949 92 D HN 0.042 nan 8.370 nan 0.000 0.509 93 K N 1.284 121.751 120.400 0.112 0.000 2.156 93 K HA 0.213 4.533 4.320 -0.000 0.000 0.242 93 K C -0.167 176.519 176.600 0.144 0.000 1.033 93 K CA -0.233 56.124 56.287 0.116 0.000 0.878 93 K CB 0.379 32.966 32.500 0.144 0.000 1.057 93 K HN 0.083 nan 8.250 nan 0.000 0.505 94 D N 0.374 120.826 120.400 0.087 0.000 2.391 94 D HA 0.218 4.858 4.640 -0.000 0.000 0.245 94 D C -1.810 174.494 176.300 0.008 0.000 1.069 94 D CA -2.057 51.986 54.000 0.071 0.000 0.831 94 D CB 1.292 42.116 40.800 0.040 0.000 1.204 94 D HN 0.084 nan 8.370 nan 0.000 0.503 95 P HA -0.030 nan 4.420 nan 0.000 0.242 95 P C 0.490 177.733 177.300 -0.095 0.000 1.197 95 P CA 0.401 63.408 63.100 -0.155 0.000 0.765 95 P CB 0.521 32.219 31.700 -0.004 0.000 0.936 96 E N 0.285 120.478 120.200 -0.012 0.000 2.427 96 E HA -0.063 4.287 4.350 -0.000 0.000 0.196 96 E C 0.325 176.983 176.600 0.097 0.000 1.028 96 E CA 0.363 56.788 56.400 0.041 0.000 0.864 96 E CB -0.701 29.025 29.700 0.043 0.000 0.813 96 E HN 0.233 nan 8.360 nan 0.000 0.514 97 D N -0.765 119.654 120.400 0.032 0.000 2.352 97 D HA 0.001 4.641 4.640 -0.000 0.000 0.245 97 D C 0.143 176.491 176.300 0.080 0.000 1.224 97 D CA -0.035 53.995 54.000 0.051 0.000 0.879 97 D CB 0.359 41.159 40.800 -0.001 0.000 1.057 97 D HN 0.047 nan 8.370 nan 0.000 0.491 98 H N 2.241 121.273 119.070 -0.063 0.000 2.566 98 H HA -0.027 4.529 4.556 -0.000 0.000 0.285 98 H C 1.615 176.916 175.328 -0.045 0.000 1.041 98 H CA 0.850 56.863 56.048 -0.058 0.000 1.207 98 H CB 0.182 29.924 29.762 -0.035 0.000 1.353 98 H HN 0.373 nan 8.280 nan 0.000 0.604 99 R N -1.327 119.214 120.500 0.069 0.000 2.279 99 R HA 0.053 4.393 4.340 -0.000 0.000 0.195 99 R C 1.592 177.909 176.300 0.029 0.000 0.905 99 R CA 0.551 56.678 56.100 0.044 0.000 1.044 99 R CB 0.555 30.878 30.300 0.038 0.000 1.056 99 R HN 0.093 nan 8.270 nan 0.000 0.535 100 T N 1.440 115.982 114.554 -0.021 0.000 2.867 100 T HA -0.075 4.275 4.350 -0.000 0.000 0.268 100 T C 1.324 175.978 174.700 -0.076 0.000 1.057 100 T CA 1.291 63.368 62.100 -0.037 0.000 1.136 100 T CB 0.038 68.829 68.868 -0.130 0.000 0.874 100 T HN 0.205 nan 8.240 nan 0.000 0.466 101 L N 0.778 121.868 121.223 -0.221 0.000 2.477 101 L HA 0.381 4.721 4.340 -0.000 0.000 0.220 101 L C 2.141 179.033 176.870 0.036 0.000 1.106 101 L CA 0.668 55.360 54.840 -0.247 0.000 0.851 101 L CB -1.146 40.671 42.059 -0.404 0.000 0.994 101 L HN 0.099 nan 8.230 nan 0.000 0.462 102 S N -1.273 114.455 115.700 0.046 0.000 2.527 102 S HA -0.014 4.456 4.470 -0.000 0.000 0.222 102 S C 1.738 176.416 174.600 0.130 0.000 0.985 102 S CA 0.356 58.607 58.200 0.084 0.000 0.921 102 S CB -0.380 62.855 63.200 0.060 0.000 0.772 102 S HN 0.642 nan 8.310 nan 0.000 0.529 103 Q N -0.768 119.151 119.800 0.199 0.000 2.402 103 Q HA 0.270 4.610 4.340 -0.000 0.000 0.206 103 Q C 1.378 177.593 176.000 0.357 0.000 0.919 103 Q CA 0.388 56.362 55.803 0.285 0.000 0.923 103 Q CB -0.129 28.812 28.738 0.339 0.000 1.048 103 Q HN 0.625 nan 8.270 nan 0.000 0.515 104 F N 0.980 120.958 119.950 0.046 0.000 2.187 104 F HA -0.111 4.416 4.527 -0.000 0.000 0.295 104 F C 2.030 177.732 175.800 -0.163 0.000 1.091 104 F CA 1.393 59.159 58.000 -0.390 0.000 1.308 104 F CB -0.232 38.566 39.000 -0.336 0.000 1.030 104 F HN -0.099 nan 8.300 nan 0.000 0.487 105 T N 0.019 114.610 114.554 0.062 0.000 2.708 105 T HA -0.187 4.163 4.350 -0.000 0.000 0.266 105 T C 1.379 176.059 174.700 -0.034 0.000 1.037 105 T CA 1.810 63.945 62.100 0.058 0.000 1.146 105 T CB -0.403 68.569 68.868 0.174 0.000 0.865 105 T HN 0.181 nan 8.240 nan 0.000 0.435 106 D N 1.146 121.549 120.400 0.006 0.000 2.219 106 D HA 0.080 4.720 4.640 -0.000 0.000 0.205 106 D C 2.224 178.500 176.300 -0.041 0.000 0.970 106 D CA 0.902 54.902 54.000 0.000 0.000 0.851 106 D CB -0.391 40.435 40.800 0.043 0.000 0.943 106 D HN 0.413 nan 8.370 nan 0.000 0.488 107 A N 0.197 122.971 122.820 -0.077 0.000 1.968 107 A HA -0.042 4.278 4.320 -0.000 0.000 0.217 107 A C 2.239 179.677 177.584 -0.243 0.000 1.169 107 A CA 0.640 52.610 52.037 -0.112 0.000 0.638 107 A CB -0.476 18.466 19.000 -0.095 0.000 0.812 107 A HN 0.185 nan 8.150 nan 0.000 0.446 108 L N -0.636 120.369 121.223 -0.363 0.000 2.044 108 L HA -0.113 4.227 4.340 -0.000 0.000 0.205 108 L C 2.479 179.232 176.870 -0.195 0.000 1.075 108 L CA 0.967 55.596 54.840 -0.352 0.000 0.747 108 L CB -0.663 41.150 42.059 -0.410 0.000 0.903 108 L HN 0.215 nan 8.230 nan 0.000 0.435 109 V N -0.383 119.451 119.914 -0.133 0.000 2.469 109 V HA -0.291 3.829 4.120 -0.000 0.000 0.251 109 V C 2.493 178.533 176.094 -0.090 0.000 1.064 109 V CA 2.302 64.549 62.300 -0.089 0.000 1.066 109 V CB -0.892 30.899 31.823 -0.055 0.000 0.667 109 V HN 0.489 nan 8.190 nan 0.000 0.461 110 T N -0.165 114.334 114.554 -0.092 0.000 2.904 110 T HA 0.058 4.408 4.350 -0.000 0.000 0.267 110 T C 1.767 176.407 174.700 -0.100 0.000 1.059 110 T CA 1.170 63.220 62.100 -0.084 0.000 1.137 110 T CB -0.130 68.702 68.868 -0.060 0.000 0.879 110 T HN 0.374 nan 8.240 nan 0.000 0.467 111 I N 0.582 121.086 120.570 -0.110 0.000 2.406 111 I HA -0.033 4.137 4.170 -0.000 0.000 0.249 111 I C 2.753 178.833 176.117 -0.063 0.000 1.122 111 I CA 0.813 62.060 61.300 -0.088 0.000 1.431 111 I CB -0.302 37.611 38.000 -0.144 0.000 1.087 111 I HN 0.103 nan 8.210 nan 0.000 0.424 112 R N 1.425 121.857 120.500 -0.114 0.000 2.073 112 R HA -0.164 4.176 4.340 -0.000 0.000 0.234 112 R C 1.940 178.186 176.300 -0.090 0.000 1.134 112 R CA 1.843 57.878 56.100 -0.109 0.000 0.952 112 R CB -0.095 30.143 30.300 -0.104 0.000 0.850 112 R HN 0.336 nan 8.270 nan 0.000 0.433 113 N N 0.548 119.184 118.700 -0.108 0.000 2.396 113 N HA -0.152 4.588 4.740 -0.000 0.000 0.180 113 N C 1.621 176.996 175.510 -0.225 0.000 1.028 113 N CA 0.778 53.749 53.050 -0.132 0.000 0.893 113 N CB -0.338 38.081 38.487 -0.113 0.000 0.967 113 N HN 0.315 nan 8.380 nan 0.000 0.440 114 R N 0.428 120.770 120.500 -0.264 0.000 2.148 114 R HA -0.034 4.306 4.340 -0.000 0.000 0.227 114 R C 0.711 176.463 176.300 -0.914 0.000 1.103 114 R CA 1.099 56.874 56.100 -0.540 0.000 0.983 114 R CB -0.010 30.019 30.300 -0.451 0.000 0.874 114 R HN 0.397 nan 8.270 nan 0.000 0.451 115 H N -1.080 117.687 119.070 -0.505 0.000 2.549 115 H HA 0.093 4.649 4.556 -0.000 0.000 0.279 115 H C 0.699 175.903 175.328 -0.207 0.000 1.018 115 H CA -0.105 55.722 56.048 -0.369 0.000 1.175 115 H CB 0.389 30.024 29.762 -0.213 0.000 1.485 115 H HN 0.304 nan 8.280 nan 0.000 0.543 116 N N 0.686 119.293 118.700 -0.154 0.000 2.348 116 N HA -0.116 4.624 4.740 -0.000 0.000 0.185 116 N C 0.473 175.974 175.510 -0.015 0.000 1.019 116 N CA 0.974 53.982 53.050 -0.070 0.000 0.880 116 N CB 0.255 38.688 38.487 -0.090 0.000 0.965 116 N HN 0.230 nan 8.380 nan 0.000 0.437 117 D N -0.874 119.517 120.400 -0.014 0.000 2.559 117 D HA 0.102 4.742 4.640 -0.000 0.000 0.234 117 D C 1.116 177.571 176.300 0.259 0.000 1.226 117 D CA 0.002 54.063 54.000 0.102 0.000 0.830 117 D CB 0.556 41.417 40.800 0.102 0.000 1.028 117 D HN 0.010 nan 8.370 nan 0.000 0.492 118 V N 0.174 120.289 119.914 0.334 0.000 2.295 118 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 118 V C 2.582 178.873 176.094 0.328 0.000 1.049 118 V CA 1.246 63.830 62.300 0.472 0.000 1.024 118 V CB -0.341 31.834 31.823 0.587 0.000 0.648 118 V HN 0.134 nan 8.190 nan 0.000 0.447 119 V N 0.265 120.312 119.914 0.222 0.000 2.233 119 V HA -0.190 3.930 4.120 -0.000 0.000 0.247 119 V C 0.252 176.342 176.094 -0.007 0.000 1.050 119 V CA 2.707 65.044 62.300 0.062 0.000 1.010 119 V CB -2.102 29.612 31.823 -0.182 0.000 0.637 119 V HN 0.508 nan 8.190 nan 0.000 0.444 120 P HA -0.131 nan 4.420 nan 0.000 0.216 120 P C 1.853 179.196 177.300 0.072 0.000 1.153 120 P CA 1.890 65.002 63.100 0.020 0.000 0.858 120 P CB -0.241 31.475 31.700 0.027 0.000 0.789 121 T N -1.113 113.504 114.554 0.105 0.000 2.708 121 T HA -0.166 4.184 4.350 -0.000 0.000 0.266 121 T C 1.772 176.491 174.700 0.031 0.000 1.037 121 T CA 1.512 63.661 62.100 0.081 0.000 1.146 121 T CB -0.679 68.256 68.868 0.112 0.000 0.865 121 T HN 0.001 nan 8.240 nan 0.000 0.435 122 M N 1.176 120.798 119.600 0.036 0.000 2.175 122 M HA 0.157 4.637 4.480 -0.000 0.000 0.264 122 M C 2.367 178.679 176.300 0.019 0.000 1.063 122 M CA 0.976 56.258 55.300 -0.030 0.000 1.119 122 M CB -0.637 31.921 32.600 -0.071 0.000 1.377 122 M HN 0.257 nan 8.290 nan 0.000 0.415 123 A N -0.932 121.932 122.820 0.073 0.000 1.940 123 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 123 A C 2.068 179.753 177.584 0.169 0.000 1.176 123 A CA 1.951 54.113 52.037 0.208 0.000 0.631 123 A CB -0.791 18.415 19.000 0.343 0.000 0.814 123 A HN 0.528 nan 8.150 nan 0.000 0.446 124 Q N -0.147 119.717 119.800 0.107 0.000 2.124 124 Q HA -0.045 4.295 4.340 -0.000 0.000 0.202 124 Q C 1.917 177.959 176.000 0.070 0.000 0.977 124 Q CA 1.920 57.772 55.803 0.083 0.000 0.850 124 Q CB -0.906 27.864 28.738 0.054 0.000 0.901 124 Q HN 0.532 nan 8.270 nan 0.000 0.429 125 G N -0.980 107.848 108.800 0.046 0.000 2.421 125 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.217 125 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.217 125 G C 1.387 176.344 174.900 0.095 0.000 1.143 125 G CA 0.823 45.947 45.100 0.039 0.000 0.784 125 G HN 0.298 nan 8.290 nan 0.000 0.541 126 V N 0.615 120.593 119.914 0.107 0.000 2.358 126 V HA -0.100 4.020 4.120 -0.000 0.000 0.246 126 V C 2.651 178.852 176.094 0.179 0.000 1.047 126 V CA 1.378 63.763 62.300 0.143 0.000 1.035 126 V CB -0.384 31.550 31.823 0.184 0.000 0.658 126 V HN 0.324 nan 8.190 nan 0.000 0.452 127 L N 0.293 121.609 121.223 0.155 0.000 2.046 127 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 127 L C 2.368 179.308 176.870 0.117 0.000 1.077 127 L CA 1.876 56.797 54.840 0.135 0.000 0.747 127 L CB -0.807 41.320 42.059 0.113 0.000 0.896 127 L HN 0.384 nan 8.230 nan 0.000 0.432 128 E N -1.750 118.512 120.200 0.103 0.000 2.058 128 E HA -0.307 4.043 4.350 -0.000 0.000 0.194 128 E C 2.120 178.767 176.600 0.079 0.000 0.997 128 E CA 1.726 58.164 56.400 0.064 0.000 0.801 128 E CB -0.428 29.301 29.700 0.049 0.000 0.746 128 E HN 0.546 nan 8.360 nan 0.000 0.450 129 Y N 1.817 122.153 120.300 0.059 0.000 2.165 129 Y HA -0.273 4.277 4.550 -0.000 0.000 0.286 129 Y C 2.160 178.124 175.900 0.106 0.000 1.155 129 Y CA 1.752 59.928 58.100 0.127 0.000 1.164 129 Y CB -0.006 38.526 38.460 0.119 0.000 0.978 129 Y HN -0.153 nan 8.280 nan 0.000 0.513 130 K N -0.269 120.322 120.400 0.318 0.000 2.063 130 K HA -0.202 4.118 4.320 -0.000 0.000 0.208 130 K C 1.524 178.178 176.600 0.089 0.000 1.048 130 K CA 1.874 58.298 56.287 0.228 0.000 0.928 130 K CB -0.139 32.471 32.500 0.184 0.000 0.713 130 K HN 0.379 nan 8.250 nan 0.000 0.442 131 D N -1.053 119.362 120.400 0.026 0.000 2.271 131 D HA -0.036 4.604 4.640 -0.000 0.000 0.206 131 D C 1.567 177.778 176.300 -0.147 0.000 0.967 131 D CA 0.941 54.920 54.000 -0.036 0.000 0.867 131 D CB 0.171 40.957 40.800 -0.023 0.000 0.960 131 D HN 0.157 nan 8.370 nan 0.000 0.509 132 T N -0.713 113.686 114.554 -0.259 0.000 2.978 132 T HA -0.029 4.321 4.350 -0.000 0.000 0.262 132 T C 1.120 175.278 174.700 -0.903 0.000 1.063 132 T CA 0.789 62.542 62.100 -0.578 0.000 1.140 132 T CB 0.121 68.575 68.868 -0.691 0.000 0.886 132 T HN 0.238 nan 8.240 nan 0.000 0.470 133 Y N -0.033 120.068 120.300 -0.332 0.000 2.476 133 Y HA 0.470 5.020 4.550 -0.000 0.000 0.261 133 Y C 1.246 177.067 175.900 -0.131 0.000 1.077 133 Y CA -0.128 57.775 58.100 -0.329 0.000 1.240 133 Y CB 1.112 39.167 38.460 -0.675 0.000 1.317 133 Y HN 0.337 nan 8.280 nan 0.000 0.540 134 G N 1.558 110.395 108.800 0.062 0.000 2.603 134 G HA2 -0.085 3.874 3.960 -0.000 0.000 0.686 134 G HA3 -0.085 3.874 3.960 -0.000 0.000 0.686 134 G C -1.537 173.516 174.900 0.256 0.000 1.286 134 G CA -0.458 44.727 45.100 0.143 0.000 0.871 134 G HN 0.188 nan 8.290 nan 0.000 0.568 135 D N 0.590 121.124 120.400 0.224 0.000 2.456 135 D HA 0.369 5.009 4.640 -0.000 0.000 0.287 135 D C -0.388 176.066 176.300 0.256 0.000 1.186 135 D CA -0.286 53.865 54.000 0.252 0.000 0.916 135 D CB 0.310 41.279 40.800 0.281 0.000 1.029 135 D HN 0.652 nan 8.370 nan 0.000 0.498 136 D N 0.692 121.221 120.400 0.214 0.000 2.181 136 D HA 0.215 4.855 4.640 -0.000 0.000 0.248 136 D C -1.937 174.466 176.300 0.172 0.000 1.020 136 D CA -1.766 52.344 54.000 0.184 0.000 0.891 136 D CB 2.114 43.000 40.800 0.143 0.000 1.187 136 D HN -0.103 nan 8.370 nan 0.000 0.443 137 P HA -0.217 nan 4.420 nan 0.000 0.218 137 P C 1.630 178.989 177.300 0.098 0.000 1.152 137 P CA 0.986 64.187 63.100 0.168 0.000 0.857 137 P CB 0.281 32.063 31.700 0.137 0.000 0.787 138 V N 0.032 119.991 119.914 0.076 0.000 2.270 138 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 138 V C 2.529 178.638 176.094 0.024 0.000 1.043 138 V CA 2.447 64.772 62.300 0.043 0.000 1.014 138 V CB -1.675 30.169 31.823 0.035 0.000 0.645 138 V HN 0.270 nan 8.190 nan 0.000 0.447 139 S N 0.920 116.641 115.700 0.034 0.000 2.419 139 S HA -0.250 4.220 4.470 -0.000 0.000 0.233 139 S C 1.776 176.311 174.600 -0.108 0.000 1.016 139 S CA 1.872 60.048 58.200 -0.041 0.000 0.974 139 S CB -0.816 62.417 63.200 0.056 0.000 0.786 139 S HN 0.651 nan 8.310 nan 0.000 0.492 140 N N 1.384 120.047 118.700 -0.062 0.000 2.142 140 N HA -0.121 4.619 4.740 -0.000 0.000 0.186 140 N C 1.955 177.455 175.510 -0.017 0.000 1.023 140 N CA 1.384 54.360 53.050 -0.123 0.000 0.852 140 N CB -0.467 37.880 38.487 -0.233 0.000 0.998 140 N HN 0.340 nan 8.380 nan 0.000 0.424 141 Q N 0.540 120.358 119.800 0.030 0.000 2.084 141 Q HA 0.005 4.345 4.340 -0.000 0.000 0.202 141 Q C 1.560 177.624 176.000 0.108 0.000 0.978 141 Q CA 1.438 57.285 55.803 0.075 0.000 0.844 141 Q CB -0.294 28.475 28.738 0.051 0.000 0.898 141 Q HN 0.455 nan 8.270 nan 0.000 0.426 142 N N -0.374 118.368 118.700 0.069 0.000 2.106 142 N HA -0.101 4.639 4.740 -0.000 0.000 0.188 142 N C 1.829 177.469 175.510 0.217 0.000 1.029 142 N CA 1.377 54.508 53.050 0.135 0.000 0.848 142 N CB -0.184 38.343 38.487 0.066 0.000 1.007 142 N HN 0.315 nan 8.380 nan 0.000 0.423 143 I N 1.176 121.794 120.570 0.079 0.000 2.179 143 I HA -0.283 3.887 4.170 -0.000 0.000 0.242 143 I C 2.613 178.856 176.117 0.211 0.000 1.088 143 I CA 1.068 62.423 61.300 0.091 0.000 1.357 143 I CB -0.230 37.740 38.000 -0.050 0.000 1.051 143 I HN 0.088 nan 8.210 nan 0.000 0.409 144 Q N 0.543 120.488 119.800 0.241 0.000 2.061 144 Q HA -0.279 4.061 4.340 -0.000 0.000 0.204 144 Q C 2.144 178.326 176.000 0.304 0.000 0.984 144 Q CA 2.011 58.028 55.803 0.355 0.000 0.846 144 Q CB -0.608 28.291 28.738 0.268 0.000 0.902 144 Q HN 0.559 nan 8.270 nan 0.000 0.421 145 Y N -0.301 120.090 120.300 0.152 0.000 2.128 145 Y HA -0.260 4.290 4.550 -0.000 0.000 0.284 145 Y C 1.933 177.908 175.900 0.125 0.000 1.154 145 Y CA 2.103 60.260 58.100 0.096 0.000 1.149 145 Y CB -0.610 37.856 38.460 0.009 0.000 0.976 145 Y HN 0.293 nan 8.280 nan 0.000 0.505 146 F N -0.003 120.063 119.950 0.193 0.000 2.102 146 F HA -0.216 4.311 4.527 -0.000 0.000 0.298 146 F C 1.932 177.680 175.800 -0.087 0.000 1.105 146 F CA 1.794 59.855 58.000 0.102 0.000 1.239 146 F CB -0.491 38.583 39.000 0.123 0.000 0.991 146 F HN 0.025 nan 8.300 nan 0.000 0.474 147 L N 0.083 121.088 121.223 -0.363 0.000 2.046 147 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 147 L C 2.196 178.862 176.870 -0.339 0.000 1.077 147 L CA 1.395 55.849 54.840 -0.643 0.000 0.747 147 L CB -0.904 40.662 42.059 -0.822 0.000 0.896 147 L HN 0.138 nan 8.230 nan 0.000 0.432 148 D N 0.154 120.536 120.400 -0.031 0.000 2.123 148 D HA -0.176 4.464 4.640 -0.000 0.000 0.196 148 D C 2.365 178.596 176.300 -0.115 0.000 0.992 148 D CA 1.318 55.366 54.000 0.080 0.000 0.833 148 D CB -0.040 40.817 40.800 0.095 0.000 0.954 148 D HN 0.267 nan 8.370 nan 0.000 0.455 149 R N -0.580 119.753 120.500 -0.278 0.000 2.062 149 R HA -0.062 4.278 4.340 -0.000 0.000 0.229 149 R C 2.296 178.408 176.300 -0.314 0.000 1.128 149 R CA 0.633 56.557 56.100 -0.293 0.000 0.960 149 R CB -0.501 29.588 30.300 -0.351 0.000 0.855 149 R HN 0.155 nan 8.270 nan 0.000 0.432 150 F N 0.678 120.237 119.950 -0.651 0.000 2.069 150 F HA -0.278 4.249 4.527 -0.000 0.000 0.298 150 F C 1.713 177.237 175.800 -0.460 0.000 1.113 150 F CA 1.504 59.071 58.000 -0.723 0.000 1.214 150 F CB -0.387 37.850 39.000 -1.273 0.000 0.978 150 F HN -0.060 nan 8.300 nan 0.000 0.474 151 Y N 0.096 120.133 120.300 -0.437 0.000 2.242 151 Y HA -0.161 4.389 4.550 -0.000 0.000 0.291 151 Y C 2.604 178.242 175.900 -0.436 0.000 1.137 151 Y CA 1.133 58.969 58.100 -0.440 0.000 1.181 151 Y CB -1.028 37.297 38.460 -0.226 0.000 0.989 151 Y HN 0.146 nan 8.280 nan 0.000 0.527 152 L N -0.977 120.127 121.223 -0.197 0.000 2.017 152 L HA -0.268 4.072 4.340 -0.000 0.000 0.208 152 L C 2.697 179.390 176.870 -0.296 0.000 1.073 152 L CA 1.900 56.593 54.840 -0.246 0.000 0.745 152 L CB -0.611 41.360 42.059 -0.147 0.000 0.894 152 L HN 0.308 nan 8.230 nan 0.000 0.432 153 S N -0.121 115.412 115.700 -0.278 0.000 2.365 153 S HA -0.329 4.141 4.470 -0.000 0.000 0.225 153 S C 2.183 176.603 174.600 -0.299 0.000 1.039 153 S CA 1.943 59.991 58.200 -0.252 0.000 1.033 153 S CB -0.371 62.674 63.200 -0.258 0.000 0.887 153 S HN 0.438 nan 8.310 nan 0.000 0.447 154 R N 0.274 120.531 120.500 -0.405 0.000 2.091 154 R HA -0.037 4.303 4.340 -0.000 0.000 0.238 154 R C 2.352 178.458 176.300 -0.323 0.000 1.136 154 R CA 1.897 57.789 56.100 -0.347 0.000 0.959 154 R CB -0.487 29.588 30.300 -0.375 0.000 0.856 154 R HN 0.583 nan 8.270 nan 0.000 0.437 155 I N 0.817 121.132 120.570 -0.425 0.000 2.226 155 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 155 I C 2.582 178.354 176.117 -0.575 0.000 1.100 155 I CA 1.655 62.612 61.300 -0.571 0.000 1.374 155 I CB -0.403 37.063 38.000 -0.890 0.000 1.057 155 I HN 0.365 nan 8.210 nan 0.000 0.413 156 S N 1.177 116.557 115.700 -0.534 0.000 2.382 156 S HA -0.142 4.328 4.470 -0.000 0.000 0.228 156 S C 2.002 176.559 174.600 -0.072 0.000 1.027 156 S CA 0.996 59.048 58.200 -0.247 0.000 0.991 156 S CB -0.721 62.473 63.200 -0.011 0.000 0.823 156 S HN 0.417 nan 8.310 nan 0.000 0.469 157 I N 1.304 121.795 120.570 -0.132 0.000 2.286 157 I HA -0.078 4.092 4.170 -0.000 0.000 0.245 157 I C 3.055 179.109 176.117 -0.106 0.000 1.104 157 I CA 1.122 62.355 61.300 -0.111 0.000 1.397 157 I CB -0.251 37.650 38.000 -0.164 0.000 1.072 157 I HN 0.236 nan 8.210 nan 0.000 0.417 158 R N -0.189 120.229 120.500 -0.136 0.000 2.148 158 R HA -0.168 4.172 4.340 -0.000 0.000 0.227 158 R C 2.190 178.474 176.300 -0.026 0.000 1.103 158 R CA 1.247 57.288 56.100 -0.098 0.000 0.983 158 R CB -0.262 29.974 30.300 -0.106 0.000 0.874 158 R HN 0.242 nan 8.270 nan 0.000 0.451 159 M N 0.717 120.317 119.600 -0.000 0.000 2.099 159 M HA -0.098 4.382 4.480 -0.000 0.000 0.262 159 M C 1.721 178.101 176.300 0.133 0.000 1.067 159 M CA 1.696 57.045 55.300 0.082 0.000 1.124 159 M CB -0.174 32.524 32.600 0.163 0.000 1.353 159 M HN 0.066 nan 8.290 nan 0.000 0.410 160 L N -0.670 120.654 121.223 0.168 0.000 2.012 160 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 160 L C 2.473 179.413 176.870 0.116 0.000 1.073 160 L CA 1.538 56.498 54.840 0.199 0.000 0.748 160 L CB -0.960 41.184 42.059 0.142 0.000 0.891 160 L HN 0.344 nan 8.230 nan 0.000 0.431 161 I N -0.003 120.583 120.570 0.027 0.000 2.286 161 I HA -0.275 3.895 4.170 -0.000 0.000 0.248 161 I C 2.255 178.393 176.117 0.036 0.000 1.115 161 I CA 1.070 62.365 61.300 -0.008 0.000 1.392 161 I CB -0.408 37.535 38.000 -0.094 0.000 1.065 161 I HN 0.372 nan 8.210 nan 0.000 0.418 162 N N 0.402 119.116 118.700 0.024 0.000 2.188 162 N HA -0.161 4.579 4.740 -0.000 0.000 0.184 162 N C 1.885 177.405 175.510 0.016 0.000 1.018 162 N CA 0.996 54.053 53.050 0.012 0.000 0.858 162 N CB -0.258 38.230 38.487 0.002 0.000 0.989 162 N HN 0.339 nan 8.380 nan 0.000 0.426 163 Q N 0.281 120.110 119.800 0.049 0.000 2.084 163 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 163 Q C 1.880 177.878 176.000 -0.002 0.000 0.978 163 Q CA 1.321 57.145 55.803 0.035 0.000 0.844 163 Q CB -0.591 28.234 28.738 0.145 0.000 0.898 163 Q HN 0.599 nan 8.270 nan 0.000 0.426 164 H N 0.143 119.229 119.070 0.027 0.000 2.307 164 H HA -0.086 4.470 4.556 -0.000 0.000 0.303 164 H C 2.136 177.528 175.328 0.107 0.000 1.073 164 H CA 2.697 58.828 56.048 0.139 0.000 1.338 164 H CB 0.020 29.921 29.762 0.232 0.000 1.389 164 H HN 0.363 nan 8.280 nan 0.000 0.503 165 T N -0.917 113.735 114.554 0.164 0.000 2.708 165 T HA -0.167 4.183 4.350 -0.000 0.000 0.266 165 T C 2.211 176.894 174.700 -0.029 0.000 1.037 165 T CA 1.608 63.758 62.100 0.083 0.000 1.146 165 T CB -0.697 68.199 68.868 0.048 0.000 0.865 165 T HN 0.285 nan 8.240 nan 0.000 0.435 166 L N 0.141 121.321 121.223 -0.072 0.000 2.056 166 L HA 0.086 4.426 4.340 -0.000 0.000 0.207 166 L C 2.861 179.616 176.870 -0.193 0.000 1.078 166 L CA 1.293 56.069 54.840 -0.107 0.000 0.749 166 L CB -0.498 41.506 42.059 -0.091 0.000 0.901 166 L HN 0.256 nan 8.230 nan 0.000 0.433 167 I N -1.118 119.236 120.570 -0.360 0.000 2.394 167 I HA -0.235 3.935 4.170 -0.000 0.000 0.251 167 I C 0.606 176.293 176.117 -0.716 0.000 1.136 167 I CA 1.163 62.093 61.300 -0.617 0.000 1.425 167 I CB 0.070 37.502 38.000 -0.947 0.000 1.079 167 I HN 0.110 nan 8.210 nan 0.000 0.425 168 F N 1.292 121.157 119.950 -0.142 0.000 2.942 168 F HA 0.134 4.661 4.527 0.000 0.000 0.324 168 F C 1.179 176.933 175.800 -0.076 0.000 1.265 168 F CA -1.280 56.639 58.000 -0.135 0.000 1.255 168 F CB -0.785 38.065 39.000 -0.251 0.000 1.048 168 F HN 0.062 nan 8.300 nan 0.000 0.512 169 D N -0.012 120.403 120.400 0.025 0.000 2.149 169 D HA 0.024 4.664 4.640 -0.000 0.000 0.198 169 D C 1.263 177.589 176.300 0.043 0.000 0.990 169 D CA 1.413 55.425 54.000 0.020 0.000 0.839 169 D CB -0.103 40.688 40.800 -0.015 0.000 0.948 169 D HN 0.362 nan 8.370 nan 0.000 0.460 170 G N -1.391 107.442 108.800 0.056 0.000 2.308 170 G HA2 0.542 4.502 3.960 -0.000 0.000 0.182 170 G HA3 0.542 4.502 3.960 -0.000 0.000 0.182 170 G C -0.075 174.852 174.900 0.044 0.000 1.488 170 G CA 0.013 45.145 45.100 0.053 0.000 1.144 170 G HN 1.051 nan 8.290 nan 0.000 0.608 171 S N -1.194 114.539 115.700 0.055 0.000 3.327 171 S HA 0.537 5.007 4.470 -0.000 0.000 0.844 171 S C 0.710 175.335 174.600 0.041 0.000 1.110 171 S CA 1.073 59.301 58.200 0.047 0.000 1.105 171 S CB -1.055 62.167 63.200 0.036 0.000 0.752 171 S HN 2.672 nan 8.310 nan 0.000 0.279 172 T N 1.123 115.700 114.554 0.039 0.000 3.315 172 T HA 0.768 5.118 4.350 -0.000 0.000 0.275 172 T C 1.527 176.238 174.700 0.019 0.000 1.598 172 T CA 1.110 63.228 62.100 0.030 0.000 1.368 172 T CB -1.570 67.321 68.868 0.038 0.000 1.079 172 T HN 2.015 nan 8.240 nan 0.000 0.703 173 N N 2.062 120.769 118.700 0.013 0.000 2.022 173 N HA 0.075 4.815 4.740 -0.000 0.000 0.194 173 N C 1.074 176.586 175.510 0.004 0.000 1.057 173 N CA 1.801 54.856 53.050 0.008 0.000 0.849 173 N CB -2.114 36.376 38.487 0.004 0.000 1.044 173 N HN 0.522 nan 8.380 nan 0.000 0.424 174 P HA 0.236 nan 4.420 nan 0.000 0.220 174 P C 0.880 178.181 177.300 0.001 0.000 1.155 174 P CA 3.077 66.175 63.100 -0.004 0.000 0.880 174 P CB -1.143 30.550 31.700 -0.012 0.000 0.790 175 A N -3.347 119.476 122.820 0.004 0.000 1.532 175 A HA 0.354 4.674 4.320 -0.000 0.000 0.206 175 A C 0.467 178.055 177.584 0.007 0.000 1.201 175 A CA 2.025 54.067 52.037 0.009 0.000 0.699 175 A CB -2.527 16.480 19.000 0.012 0.000 1.152 175 A HN 2.485 nan 8.150 nan 0.000 0.209 176 H N -0.891 118.183 119.070 0.007 0.000 4.157 176 H HA 0.319 4.875 4.556 -0.000 0.000 0.399 176 H C -2.118 173.215 175.328 0.008 0.000 1.043 176 H CA 0.487 56.539 56.048 0.006 0.000 1.239 176 H CB -2.108 27.657 29.762 0.005 0.000 1.414 176 H HN 2.005 nan 8.280 nan 0.000 0.389 177 P HA 0.629 nan 4.420 nan 0.000 0.300 177 P C 0.503 177.833 177.300 0.049 0.000 1.306 177 P CA -0.717 62.401 63.100 0.030 0.000 1.113 177 P CB 1.963 33.679 31.700 0.026 0.000 1.615 178 K N -0.738 119.726 120.400 0.106 0.000 2.076 178 K HA 0.061 4.381 4.320 -0.000 0.000 0.204 178 K C 0.482 177.132 176.600 0.083 0.000 1.051 178 K CA 1.477 57.836 56.287 0.121 0.000 0.949 178 K CB -0.767 31.883 32.500 0.249 0.000 0.726 178 K HN 0.552 nan 8.250 nan 0.000 0.443 179 H N -1.143 117.906 119.070 -0.034 0.000 2.502 179 H HA 0.384 4.940 4.556 -0.000 0.000 0.338 179 H C -0.370 174.928 175.328 -0.051 0.000 1.155 179 H CA -0.609 55.413 56.048 -0.043 0.000 1.237 179 H CB 1.123 30.856 29.762 -0.048 0.000 1.534 179 H HN -0.103 nan 8.280 nan 0.000 0.523 180 I N 3.125 123.724 120.570 0.048 0.000 2.557 180 I HA 0.266 4.436 4.170 -0.000 0.000 0.277 180 I C 0.912 177.018 176.117 -0.019 0.000 1.106 180 I CA 0.069 61.369 61.300 0.001 0.000 1.180 180 I CB -0.074 37.925 38.000 -0.001 0.000 1.392 180 I HN 0.968 nan 8.210 nan 0.000 0.506 181 G N 4.346 113.127 108.800 -0.031 0.000 2.588 181 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.273 181 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.273 181 G C 0.773 175.656 174.900 -0.027 0.000 1.211 181 G CA 0.507 45.572 45.100 -0.058 0.000 0.958 181 G HN 0.597 nan 8.290 nan 0.000 0.543 182 S N 0.215 115.879 115.700 -0.058 0.000 2.548 182 S HA 0.494 4.964 4.470 -0.000 0.000 0.215 182 S C 1.086 175.625 174.600 -0.101 0.000 0.976 182 S CA 0.593 58.749 58.200 -0.073 0.000 0.908 182 S CB -0.001 63.126 63.200 -0.123 0.000 0.781 182 S HN 0.703 nan 8.310 nan 0.000 0.519 183 I N 2.382 122.885 120.570 -0.112 0.000 2.396 183 I HA 0.360 4.530 4.170 -0.000 0.000 0.292 183 I C -0.542 175.484 176.117 -0.151 0.000 0.999 183 I CA -0.524 60.679 61.300 -0.161 0.000 1.310 183 I CB 1.094 38.990 38.000 -0.172 0.000 1.404 183 I HN 0.079 nan 8.210 nan 0.000 0.496 184 D N 8.457 128.736 120.400 -0.202 0.000 2.453 184 D HA 0.252 4.892 4.640 -0.000 0.000 0.238 184 D C -1.783 174.404 176.300 -0.189 0.000 1.088 184 D CA -2.245 51.550 54.000 -0.342 0.000 0.854 184 D CB 2.034 42.608 40.800 -0.377 0.000 1.076 184 D HN 0.208 nan 8.370 nan 0.000 0.533 185 P HA -0.025 nan 4.420 nan 0.000 0.230 185 P C -0.226 177.025 177.300 -0.081 0.000 1.158 185 P CA 0.492 63.533 63.100 -0.098 0.000 0.769 185 P CB 0.417 32.067 31.700 -0.083 0.000 0.807 186 N N -1.078 117.561 118.700 -0.102 0.000 2.622 186 N HA 0.104 4.844 4.740 -0.000 0.000 0.304 186 N C -0.948 174.611 175.510 0.081 0.000 1.844 186 N CA -0.310 52.699 53.050 -0.069 0.000 0.886 186 N CB -0.281 38.097 38.487 -0.181 0.000 1.366 186 N HN 0.017 nan 8.380 nan 0.000 0.491 187 C N 1.166 120.518 119.300 0.086 0.000 2.651 187 C HA 0.254 4.714 4.460 -0.000 0.000 0.410 187 C C 0.554 175.641 174.990 0.161 0.000 1.372 187 C CA -0.441 58.644 59.018 0.111 0.000 1.707 187 C CB -1.094 26.693 27.740 0.079 0.000 2.501 187 C HN 0.479 nan 8.230 nan 0.000 0.598 188 N N 4.929 123.695 118.700 0.111 0.000 2.521 188 N HA 0.163 4.903 4.740 -0.000 0.000 0.236 188 N C 0.841 176.321 175.510 -0.050 0.000 1.067 188 N CA -0.183 52.806 53.050 -0.102 0.000 0.939 188 N CB 1.001 39.447 38.487 -0.068 0.000 1.201 188 N HN 0.577 nan 8.380 nan 0.000 0.511 189 V N 2.767 122.637 119.914 -0.074 0.000 2.250 189 V HA -0.287 3.833 4.120 -0.000 0.000 0.250 189 V C 2.163 178.251 176.094 -0.010 0.000 1.060 189 V CA 2.001 64.281 62.300 -0.034 0.000 1.030 189 V CB -0.803 30.982 31.823 -0.063 0.000 0.643 189 V HN 0.639 nan 8.190 nan 0.000 0.445 190 S N -0.916 114.761 115.700 -0.038 0.000 2.387 190 S HA -0.265 4.205 4.470 -0.000 0.000 0.230 190 S C 2.038 176.655 174.600 0.029 0.000 1.035 190 S CA 1.778 59.973 58.200 -0.009 0.000 1.014 190 S CB -0.344 62.836 63.200 -0.034 0.000 0.836 190 S HN 0.685 nan 8.310 nan 0.000 0.466 191 E N 1.164 121.381 120.200 0.028 0.000 2.077 191 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 191 E C 1.871 178.537 176.600 0.109 0.000 0.989 191 E CA 1.110 57.547 56.400 0.062 0.000 0.800 191 E CB -0.383 29.354 29.700 0.061 0.000 0.746 191 E HN 0.311 nan 8.360 nan 0.000 0.452 192 V N -0.209 119.779 119.914 0.122 0.000 2.427 192 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 192 V C 2.416 178.627 176.094 0.194 0.000 1.051 192 V CA 1.391 63.804 62.300 0.189 0.000 1.048 192 V CB -0.459 31.476 31.823 0.186 0.000 0.666 192 V HN 0.140 nan 8.190 nan 0.000 0.456 193 V N -0.100 119.911 119.914 0.161 0.000 2.255 193 V HA -0.325 3.795 4.120 -0.000 0.000 0.247 193 V C 2.475 178.737 176.094 0.279 0.000 1.051 193 V CA 2.437 64.881 62.300 0.241 0.000 1.018 193 V CB -0.663 31.259 31.823 0.166 0.000 0.641 193 V HN 0.471 nan 8.190 nan 0.000 0.445 194 K N -0.101 120.398 120.400 0.164 0.000 2.044 194 K HA -0.218 4.102 4.320 -0.000 0.000 0.210 194 K C 1.875 178.568 176.600 0.154 0.000 1.049 194 K CA 1.987 58.349 56.287 0.125 0.000 0.927 194 K CB -0.317 32.231 32.500 0.080 0.000 0.713 194 K HN 0.504 nan 8.250 nan 0.000 0.443 195 D N -0.188 120.317 120.400 0.176 0.000 2.084 195 D HA -0.151 4.489 4.640 -0.000 0.000 0.194 195 D C 1.813 178.238 176.300 0.209 0.000 0.990 195 D CA 1.559 55.691 54.000 0.220 0.000 0.826 195 D CB -0.396 40.599 40.800 0.325 0.000 0.971 195 D HN 0.296 nan 8.370 nan 0.000 0.453 196 A N 0.243 123.125 122.820 0.103 0.000 1.933 196 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 196 A C 2.205 179.739 177.584 -0.083 0.000 1.175 196 A CA 1.469 53.422 52.037 -0.140 0.000 0.628 196 A CB -1.076 17.846 19.000 -0.130 0.000 0.814 196 A HN 0.364 nan 8.150 nan 0.000 0.444 197 Y N 1.295 121.320 120.300 -0.459 0.000 2.097 197 Y HA -0.250 4.300 4.550 -0.000 0.000 0.282 197 Y C 1.935 177.577 175.900 -0.430 0.000 1.152 197 Y CA 2.139 59.606 58.100 -1.054 0.000 1.136 197 Y CB -0.332 37.520 38.460 -1.014 0.000 0.975 197 Y HN 0.352 nan 8.280 nan 0.000 0.498 198 D N 0.045 120.283 120.400 -0.271 0.000 2.158 198 D HA -0.225 4.415 4.640 -0.000 0.000 0.197 198 D C 2.111 178.297 176.300 -0.189 0.000 0.995 198 D CA 1.845 55.705 54.000 -0.232 0.000 0.846 198 D CB -0.380 40.415 40.800 -0.009 0.000 0.941 198 D HN 0.426 nan 8.370 nan 0.000 0.456 199 M N 0.923 120.485 119.600 -0.063 0.000 2.175 199 M HA -0.009 4.471 4.480 -0.000 0.000 0.264 199 M C 1.910 178.274 176.300 0.106 0.000 1.063 199 M CA 1.155 56.476 55.300 0.035 0.000 1.119 199 M CB -0.377 32.266 32.600 0.071 0.000 1.377 199 M HN -0.029 nan 8.290 nan 0.000 0.415 200 A N -0.212 122.649 122.820 0.068 0.000 1.898 200 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 200 A C 2.237 179.711 177.584 -0.183 0.000 1.181 200 A CA 1.991 54.011 52.037 -0.028 0.000 0.620 200 A CB -0.820 18.058 19.000 -0.204 0.000 0.819 200 A HN 0.599 nan 8.150 nan 0.000 0.442 201 K N -0.268 119.886 120.400 -0.410 0.000 2.063 201 K HA -0.148 4.172 4.320 -0.000 0.000 0.208 201 K C 1.962 178.462 176.600 -0.166 0.000 1.048 201 K CA 1.601 57.656 56.287 -0.387 0.000 0.928 201 K CB -0.353 31.770 32.500 -0.627 0.000 0.713 201 K HN 0.453 nan 8.250 nan 0.000 0.442 202 L N 1.090 122.238 121.223 -0.125 0.000 1.970 202 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 202 L C 2.374 179.240 176.870 -0.006 0.000 1.071 202 L CA 1.440 56.251 54.840 -0.048 0.000 0.751 202 L CB -0.299 41.743 42.059 -0.028 0.000 0.889 202 L HN 0.301 nan 8.230 nan 0.000 0.432 203 L N -0.977 120.256 121.223 0.017 0.000 2.013 203 L HA -0.351 3.989 4.340 -0.000 0.000 0.212 203 L C 2.884 179.795 176.870 0.067 0.000 1.073 203 L CA 1.645 56.509 54.840 0.040 0.000 0.753 203 L CB -0.732 41.360 42.059 0.055 0.000 0.890 203 L HN 0.560 nan 8.230 nan 0.000 0.432 204 C N 0.266 119.603 119.300 0.062 0.000 2.413 204 C HA -0.208 4.252 4.460 -0.000 0.000 0.276 204 C C 2.498 177.599 174.990 0.185 0.000 1.248 204 C CA 1.331 60.451 59.018 0.171 0.000 1.742 204 C CB -0.803 26.975 27.740 0.062 0.000 2.017 204 C HN 0.544 nan 8.230 nan 0.000 0.481 205 D N 0.086 120.530 120.400 0.075 0.000 2.117 205 D HA -0.135 4.505 4.640 -0.000 0.000 0.197 205 D C 2.245 178.578 176.300 0.056 0.000 0.987 205 D CA 1.141 55.176 54.000 0.058 0.000 0.829 205 D CB -0.521 40.288 40.800 0.014 0.000 0.961 205 D HN 0.626 nan 8.370 nan 0.000 0.460 206 K N -0.565 119.867 120.400 0.053 0.000 2.097 206 K HA -0.183 4.137 4.320 -0.000 0.000 0.205 206 K C 2.051 178.679 176.600 0.046 0.000 1.050 206 K CA 0.874 57.186 56.287 0.042 0.000 0.938 206 K CB -0.060 32.466 32.500 0.043 0.000 0.718 206 K HN 0.130 nan 8.250 nan 0.000 0.442 207 Y N -0.617 119.614 120.300 -0.115 0.000 2.347 207 Y HA -0.045 4.505 4.550 0.000 0.000 0.294 207 Y C 0.847 176.507 175.900 -0.400 0.000 1.117 207 Y CA 1.137 59.061 58.100 -0.294 0.000 1.184 207 Y CB 0.361 38.558 38.460 -0.438 0.000 1.047 207 Y HN 0.051 nan 8.280 nan 0.000 0.546 208 Y N -1.446 118.858 120.300 0.006 0.000 2.445 208 Y HA 0.228 4.778 4.550 -0.000 0.000 0.247 208 Y C 0.560 176.428 175.900 -0.052 0.000 1.129 208 Y CA -0.061 57.999 58.100 -0.066 0.000 1.251 208 Y CB 0.082 38.541 38.460 -0.001 0.000 1.176 208 Y HN -0.164 nan 8.280 nan 0.000 0.522 209 M N 0.425 120.077 119.600 0.087 0.000 2.206 209 M HA -0.231 4.249 4.480 -0.000 0.000 0.197 209 M C -0.421 175.909 176.300 0.050 0.000 0.375 209 M CA 0.938 56.264 55.300 0.044 0.000 0.410 209 M CB -1.792 30.811 32.600 0.006 0.000 1.204 209 M HN 0.307 nan 8.290 nan 0.000 0.932 210 A N 0.083 122.944 122.820 0.068 0.000 2.585 210 A HA 0.746 5.066 4.320 -0.000 0.000 0.299 210 A C -0.332 177.267 177.584 0.025 0.000 1.047 210 A CA -0.008 52.050 52.037 0.035 0.000 0.723 210 A CB 1.296 20.312 19.000 0.026 0.000 1.275 210 A HN 0.961 nan 8.150 nan 0.000 0.408 211 S N 1.848 117.546 115.700 -0.002 0.000 2.543 211 S HA 0.870 5.339 4.470 -0.000 0.000 0.273 211 S C -3.300 171.295 174.600 -0.008 0.000 1.152 211 S CA -0.960 57.228 58.200 -0.019 0.000 0.910 211 S CB 2.029 65.211 63.200 -0.031 0.000 1.105 211 S HN 0.806 nan 8.310 nan 0.000 0.465 212 P HA 0.386 nan 4.420 nan 0.000 0.274 212 P C -0.875 176.488 177.300 0.105 0.000 1.237 212 P CA -0.027 63.078 63.100 0.008 0.000 0.793 212 P CB 0.444 32.131 31.700 -0.022 0.000 0.977 213 D N 0.215 120.654 120.400 0.064 0.000 2.466 213 D HA 0.407 5.047 4.640 -0.000 0.000 0.262 213 D C -0.193 176.061 176.300 -0.077 0.000 1.177 213 D CA -0.063 53.975 54.000 0.063 0.000 1.035 213 D CB 0.550 41.348 40.800 -0.003 0.000 1.105 213 D HN 0.175 nan 8.370 nan 0.000 0.551 214 L N -0.345 120.677 121.223 -0.335 0.000 2.354 214 L HA 0.424 4.764 4.340 -0.000 0.000 0.269 214 L C -0.945 175.775 176.870 -0.251 0.000 1.005 214 L CA -0.279 54.279 54.840 -0.471 0.000 0.819 214 L CB 1.759 43.111 42.059 -1.179 0.000 1.311 214 L HN 0.248 nan 8.230 nan 0.000 0.423 215 E N 4.900 125.008 120.200 -0.154 0.000 2.256 215 E HA 0.559 4.909 4.350 -0.000 0.000 0.268 215 E C -1.399 175.159 176.600 -0.071 0.000 0.877 215 E CA -0.482 55.861 56.400 -0.094 0.000 0.757 215 E CB 2.465 32.131 29.700 -0.058 0.000 1.183 215 E HN 0.520 nan 8.360 nan 0.000 0.418 216 I N 2.193 122.727 120.570 -0.060 0.000 2.545 216 I HA 0.299 4.469 4.170 -0.000 0.000 0.292 216 I C -0.621 175.477 176.117 -0.032 0.000 1.040 216 I CA -0.634 60.642 61.300 -0.041 0.000 1.068 216 I CB 2.146 40.123 38.000 -0.037 0.000 1.251 216 I HN 0.356 nan 8.210 nan 0.000 0.424 217 Q N 5.384 125.168 119.800 -0.027 0.000 2.304 217 Q HA 0.416 4.756 4.340 -0.000 0.000 0.270 217 Q C -1.410 174.576 176.000 -0.023 0.000 1.035 217 Q CA -0.623 55.166 55.803 -0.022 0.000 0.781 217 Q CB 2.435 31.163 28.738 -0.016 0.000 1.261 217 Q HN 0.583 nan 8.270 nan 0.000 0.444 218 E N 3.291 123.478 120.200 -0.022 0.000 2.202 218 E HA 0.444 4.794 4.350 -0.000 0.000 0.272 218 E C -0.628 175.962 176.600 -0.016 0.000 0.951 218 E CA -0.798 55.588 56.400 -0.024 0.000 0.813 218 E CB 1.556 31.237 29.700 -0.031 0.000 1.151 218 E HN 0.467 nan 8.360 nan 0.000 0.398 219 I N 2.927 123.489 120.570 -0.014 0.000 2.641 219 I HA 0.127 4.297 4.170 -0.000 0.000 0.275 219 I C -0.530 175.584 176.117 -0.005 0.000 1.129 219 I CA -0.556 60.740 61.300 -0.007 0.000 1.094 219 I CB 0.633 38.631 38.000 -0.002 0.000 1.232 219 I HN 0.372 nan 8.210 nan 0.000 0.503 220 N N 4.133 122.830 118.700 -0.004 0.000 2.602 220 N HA 0.287 5.027 4.740 -0.000 0.000 0.238 220 N C 1.080 176.592 175.510 0.004 0.000 1.084 220 N CA 0.138 53.188 53.050 -0.001 0.000 0.952 220 N CB 1.544 40.031 38.487 0.000 0.000 1.244 220 N HN 0.648 nan 8.380 nan 0.000 0.512 221 A N 3.982 126.805 122.820 0.006 0.000 1.869 221 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 221 A C 2.032 179.621 177.584 0.008 0.000 1.203 221 A CA 2.341 54.383 52.037 0.007 0.000 0.638 221 A CB -0.899 18.107 19.000 0.010 0.000 0.831 221 A HN 0.662 nan 8.150 nan 0.000 0.450 222 A N -1.101 121.725 122.820 0.009 0.000 1.968 222 A HA 0.031 4.351 4.320 -0.000 0.000 0.217 222 A C 0.791 178.380 177.584 0.009 0.000 1.169 222 A CA 1.367 53.409 52.037 0.009 0.000 0.638 222 A CB -0.286 18.721 19.000 0.010 0.000 0.812 222 A HN 0.584 nan 8.150 nan 0.000 0.446 223 N N -1.205 117.501 118.700 0.010 0.000 2.844 223 N HA 0.258 4.998 4.740 -0.000 0.000 0.268 223 N C 0.503 176.018 175.510 0.009 0.000 1.574 223 N CA 0.468 53.524 53.050 0.011 0.000 0.838 223 N CB 1.183 39.679 38.487 0.015 0.000 1.177 223 N HN 0.140 nan 8.380 nan 0.000 0.495 224 S N 1.355 117.059 115.700 0.006 0.000 2.574 224 S HA -0.304 4.165 4.470 -0.000 0.000 0.307 224 S C 1.330 175.932 174.600 0.003 0.000 1.244 224 S CA 1.822 60.025 58.200 0.004 0.000 1.144 224 S CB 0.055 63.258 63.200 0.004 0.000 1.130 224 S HN 0.385 nan 8.310 nan 0.000 0.444 225 K N 0.514 120.917 120.400 0.005 0.000 2.469 225 K HA 0.288 4.608 4.320 -0.000 0.000 0.204 225 K C -0.097 176.508 176.600 0.008 0.000 1.047 225 K CA -0.055 56.234 56.287 0.005 0.000 1.072 225 K CB 0.517 33.020 32.500 0.005 0.000 0.863 225 K HN 0.573 nan 8.250 nan 0.000 0.530 226 Q N 1.780 121.588 119.800 0.014 0.000 2.327 226 Q HA 0.201 4.541 4.340 -0.000 0.000 0.254 226 Q C -2.387 173.623 176.000 0.016 0.000 0.952 226 Q CA -1.754 54.065 55.803 0.026 0.000 0.884 226 Q CB 0.476 29.237 28.738 0.038 0.000 1.224 226 Q HN -0.100 nan 8.270 nan 0.000 0.422 227 P HA 0.039 nan 4.420 nan 0.000 0.271 227 P C -0.712 176.529 177.300 -0.098 0.000 1.218 227 P CA 0.167 63.235 63.100 -0.054 0.000 0.780 227 P CB 0.508 32.174 31.700 -0.056 0.000 0.901 228 I N 3.994 124.464 120.570 -0.166 0.000 2.379 228 I HA 0.146 4.316 4.170 -0.000 0.000 0.290 228 I C 0.858 176.807 176.117 -0.281 0.000 1.063 228 I CA 0.119 61.335 61.300 -0.141 0.000 1.351 228 I CB 0.011 37.957 38.000 -0.090 0.000 1.410 228 I HN 0.322 nan 8.210 nan 0.000 0.505 229 H N 7.546 126.610 119.070 -0.009 0.000 2.771 229 H HA 0.778 5.334 4.556 0.000 0.000 0.367 229 H C -0.365 174.954 175.328 -0.016 0.000 1.172 229 H CA -0.666 55.375 56.048 -0.011 0.000 1.186 229 H CB 2.423 32.178 29.762 -0.012 0.000 1.790 229 H HN 0.564 nan 8.280 nan 0.000 0.556 230 M N -0.950 118.725 119.600 0.125 0.000 2.949 230 M HA 0.444 4.924 4.480 -0.000 0.000 0.270 230 M C -1.857 174.475 176.300 0.055 0.000 1.221 230 M CA -1.057 54.279 55.300 0.061 0.000 0.818 230 M CB 1.820 34.429 32.600 0.014 0.000 1.635 230 M HN 0.092 nan 8.290 nan 0.000 0.492 231 V N 1.677 121.613 119.914 0.037 0.000 2.350 231 V HA 0.623 4.743 4.120 -0.000 0.000 0.276 231 V C -1.194 174.936 176.094 0.061 0.000 1.028 231 V CA -0.057 62.246 62.300 0.004 0.000 0.860 231 V CB 0.582 32.386 31.823 -0.031 0.000 0.990 231 V HN 0.780 nan 8.190 nan 0.000 0.453 232 Y N 2.572 122.772 120.300 -0.166 0.000 2.788 232 Y HA 0.521 5.071 4.550 -0.000 0.000 0.335 232 Y C -0.730 175.055 175.900 -0.192 0.000 1.287 232 Y CA -1.036 56.942 58.100 -0.204 0.000 1.068 232 Y CB 1.990 40.389 38.460 -0.103 0.000 1.340 232 Y HN 0.210 nan 8.280 nan 0.000 0.449 233 V N 5.191 124.685 119.914 -0.701 0.000 2.304 233 V HA 0.181 4.301 4.120 -0.000 0.000 0.262 233 V C -1.785 174.224 176.094 -0.142 0.000 1.061 233 V CA -1.193 60.818 62.300 -0.483 0.000 0.872 233 V CB 0.648 31.971 31.823 -0.833 0.000 1.077 233 V HN 0.628 nan 8.190 nan 0.000 0.480 234 P HA -0.220 nan 4.420 nan 0.000 0.216 234 P C 1.813 179.216 177.300 0.172 0.000 1.150 234 P CA 1.932 65.120 63.100 0.147 0.000 0.843 234 P CB 0.241 32.014 31.700 0.122 0.000 0.787 235 S N -0.993 114.760 115.700 0.088 0.000 2.399 235 S HA -0.218 4.252 4.470 -0.000 0.000 0.231 235 S C 1.990 176.730 174.600 0.233 0.000 1.022 235 S CA 0.956 59.230 58.200 0.124 0.000 0.983 235 S CB -1.808 61.426 63.200 0.056 0.000 0.803 235 S HN 0.328 nan 8.310 nan 0.000 0.480 236 H N 0.204 119.303 119.070 0.049 0.000 2.357 236 H HA 0.038 4.594 4.556 -0.000 0.000 0.301 236 H C 2.210 177.611 175.328 0.121 0.000 1.082 236 H CA 1.246 57.269 56.048 -0.042 0.000 1.342 236 H CB -0.121 29.720 29.762 0.132 0.000 1.389 236 H HN 0.334 nan 8.280 nan 0.000 0.511 237 L N 0.528 122.007 121.223 0.426 0.000 2.093 237 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 237 L C 2.227 179.243 176.870 0.243 0.000 1.085 237 L CA 1.361 56.401 54.840 0.333 0.000 0.755 237 L CB -0.741 41.501 42.059 0.306 0.000 0.904 237 L HN 0.192 nan 8.230 nan 0.000 0.435 238 Y N -0.471 119.928 120.300 0.165 0.000 2.145 238 Y HA -0.345 4.205 4.550 -0.000 0.000 0.286 238 Y C 2.822 178.825 175.900 0.171 0.000 1.145 238 Y CA 2.252 60.440 58.100 0.146 0.000 1.148 238 Y CB -0.460 38.056 38.460 0.093 0.000 0.981 238 Y HN 0.513 nan 8.280 nan 0.000 0.507 239 H N -0.414 118.770 119.070 0.190 0.000 2.289 239 H HA -0.239 4.317 4.556 0.000 0.000 0.296 239 H C 2.102 177.469 175.328 0.065 0.000 1.091 239 H CA 2.844 58.952 56.048 0.100 0.000 1.274 239 H CB -0.238 29.436 29.762 -0.147 0.000 1.364 239 H HN 0.364 nan 8.280 nan 0.000 0.490 240 M N -0.349 119.350 119.600 0.166 0.000 2.067 240 M HA -0.151 4.329 4.480 -0.000 0.000 0.260 240 M C 2.459 178.752 176.300 -0.013 0.000 1.069 240 M CA 1.498 56.864 55.300 0.109 0.000 1.117 240 M CB -0.340 32.346 32.600 0.144 0.000 1.334 240 M HN 0.279 nan 8.290 nan 0.000 0.407 241 L N -0.685 120.523 121.223 -0.024 0.000 2.042 241 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 241 L C 2.587 179.456 176.870 -0.003 0.000 1.076 241 L CA 1.344 56.129 54.840 -0.092 0.000 0.749 241 L CB -0.715 41.334 42.059 -0.017 0.000 0.893 241 L HN 0.204 nan 8.230 nan 0.000 0.432 242 F N 1.052 120.893 119.950 -0.181 0.000 2.102 242 F HA -0.213 4.314 4.527 -0.000 0.000 0.298 242 F C 2.591 178.323 175.800 -0.114 0.000 1.105 242 F CA 1.602 59.502 58.000 -0.168 0.000 1.239 242 F CB -0.188 38.596 39.000 -0.360 0.000 0.991 242 F HN 0.029 nan 8.300 nan 0.000 0.474 243 E N 0.581 120.623 120.200 -0.264 0.000 2.110 243 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 243 E C 2.487 178.920 176.600 -0.279 0.000 0.988 243 E CA 1.284 57.484 56.400 -0.334 0.000 0.804 243 E CB -0.640 28.939 29.700 -0.202 0.000 0.745 243 E HN 0.468 nan 8.360 nan 0.000 0.458 244 L N -0.450 120.640 121.223 -0.222 0.000 2.072 244 L HA -0.116 4.224 4.340 -0.000 0.000 0.205 244 L C 2.428 179.173 176.870 -0.209 0.000 1.079 244 L CA 0.798 55.495 54.840 -0.239 0.000 0.752 244 L CB -0.415 41.472 42.059 -0.288 0.000 0.906 244 L HN 0.027 nan 8.230 nan 0.000 0.436 245 F N 0.803 120.627 119.950 -0.210 0.000 2.171 245 F HA -0.209 4.318 4.527 -0.000 0.000 0.300 245 F C 2.509 178.161 175.800 -0.248 0.000 1.090 245 F CA 1.384 59.278 58.000 -0.177 0.000 1.293 245 F CB -0.432 38.493 39.000 -0.125 0.000 1.013 245 F HN -0.075 nan 8.300 nan 0.000 0.486 246 K N -0.145 120.132 120.400 -0.205 0.000 2.097 246 K HA -0.161 4.159 4.320 -0.000 0.000 0.206 246 K C 1.853 178.340 176.600 -0.188 0.000 1.049 246 K CA 1.364 57.482 56.287 -0.282 0.000 0.933 246 K CB -0.172 32.035 32.500 -0.489 0.000 0.717 246 K HN 0.167 nan 8.250 nan 0.000 0.442 247 N N 0.710 119.296 118.700 -0.189 0.000 2.135 247 N HA -0.108 4.632 4.740 -0.000 0.000 0.186 247 N C 1.753 177.186 175.510 -0.128 0.000 1.027 247 N CA 1.366 54.318 53.050 -0.164 0.000 0.849 247 N CB -0.417 37.960 38.487 -0.183 0.000 1.002 247 N HN 0.149 nan 8.380 nan 0.000 0.425 248 A N 1.406 124.162 122.820 -0.107 0.000 1.908 248 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 248 A C 2.338 179.880 177.584 -0.070 0.000 1.181 248 A CA 1.445 53.435 52.037 -0.078 0.000 0.627 248 A CB -0.540 18.435 19.000 -0.041 0.000 0.818 248 A HN 0.199 nan 8.150 nan 0.000 0.445 249 M N -1.667 117.900 119.600 -0.055 0.000 2.099 249 M HA -0.129 4.351 4.480 -0.000 0.000 0.262 249 M C 2.482 178.677 176.300 -0.175 0.000 1.067 249 M CA 1.581 56.828 55.300 -0.088 0.000 1.124 249 M CB -0.340 32.217 32.600 -0.072 0.000 1.353 249 M HN 0.391 nan 8.290 nan 0.000 0.410 250 R N 0.613 121.014 120.500 -0.165 0.000 2.097 250 R HA -0.179 4.161 4.340 -0.000 0.000 0.236 250 R C 2.140 178.312 176.300 -0.213 0.000 1.135 250 R CA 2.128 58.095 56.100 -0.221 0.000 0.934 250 R CB -0.611 29.634 30.300 -0.090 0.000 0.846 250 R HN 0.406 nan 8.270 nan 0.000 0.431 251 A N 0.014 122.752 122.820 -0.138 0.000 1.873 251 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 251 A C 2.301 179.831 177.584 -0.090 0.000 1.193 251 A CA 2.391 54.367 52.037 -0.103 0.000 0.629 251 A CB -1.100 17.846 19.000 -0.090 0.000 0.826 251 A HN 0.496 nan 8.150 nan 0.000 0.447 252 T N -0.499 113.989 114.554 -0.109 0.000 2.720 252 T HA -0.125 4.225 4.350 -0.000 0.000 0.268 252 T C 1.874 176.512 174.700 -0.104 0.000 1.037 252 T CA 1.618 63.653 62.100 -0.109 0.000 1.144 252 T CB -0.441 68.329 68.868 -0.164 0.000 0.864 252 T HN 0.158 nan 8.240 nan 0.000 0.444 253 V N 1.480 121.278 119.914 -0.192 0.000 2.270 253 V HA -0.131 3.989 4.120 -0.000 0.000 0.245 253 V C 2.472 178.475 176.094 -0.152 0.000 1.043 253 V CA 1.637 63.802 62.300 -0.225 0.000 1.014 253 V CB -0.534 31.010 31.823 -0.465 0.000 0.645 253 V HN 0.541 nan 8.190 nan 0.000 0.447 254 E N 0.693 120.779 120.200 -0.190 0.000 2.204 254 E HA -0.159 4.191 4.350 -0.000 0.000 0.195 254 E C 2.110 178.695 176.600 -0.025 0.000 0.990 254 E CA 1.465 57.813 56.400 -0.086 0.000 0.821 254 E CB -0.184 29.475 29.700 -0.068 0.000 0.750 254 E HN 0.731 nan 8.360 nan 0.000 0.477 255 S N -0.418 115.290 115.700 0.012 0.000 2.593 255 S HA -0.011 4.459 4.470 -0.000 0.000 0.217 255 S C 0.591 175.146 174.600 -0.074 0.000 0.966 255 S CA 0.088 58.287 58.200 -0.003 0.000 0.914 255 S CB 0.011 63.216 63.200 0.009 0.000 0.776 255 S HN 0.231 nan 8.310 nan 0.000 0.523 256 H N 0.488 119.517 119.070 -0.067 0.000 2.676 256 H HA 0.422 4.978 4.556 -0.000 0.000 0.238 256 H C 0.717 176.019 175.328 -0.043 0.000 1.276 256 H CA -0.442 55.575 56.048 -0.052 0.000 0.983 256 H CB 0.233 29.960 29.762 -0.057 0.000 2.000 256 H HN 0.385 nan 8.280 nan 0.000 0.584 257 E N -0.060 120.164 120.200 0.040 0.000 2.152 257 E HA -0.003 4.346 4.350 -0.000 0.000 0.192 257 E C 0.529 177.139 176.600 0.016 0.000 0.983 257 E CA 0.796 57.210 56.400 0.023 0.000 0.818 257 E CB 0.348 30.054 29.700 0.011 0.000 0.758 257 E HN 0.144 nan 8.360 nan 0.000 0.467 258 S N 0.074 115.775 115.700 0.002 0.000 2.537 258 S HA 0.204 4.674 4.470 -0.000 0.000 0.246 258 S C -0.305 174.296 174.600 0.001 0.000 1.036 258 S CA -0.312 57.886 58.200 -0.002 0.000 1.041 258 S CB 0.789 63.982 63.200 -0.013 0.000 0.799 258 S HN -0.038 nan 8.310 nan 0.000 0.456 259 S N 0.165 115.879 115.700 0.023 0.000 2.595 259 S HA 0.668 5.138 4.470 -0.000 0.000 0.281 259 S C 0.321 174.953 174.600 0.053 0.000 1.117 259 S CA -0.685 57.541 58.200 0.044 0.000 0.873 259 S CB 1.022 64.268 63.200 0.078 0.000 1.108 259 S HN 0.281 nan 8.310 nan 0.000 0.477 260 L N 2.100 123.351 121.223 0.047 0.000 2.388 260 L HA 0.447 4.787 4.340 -0.000 0.000 0.209 260 L C 0.430 177.318 176.870 0.030 0.000 1.061 260 L CA 0.145 55.003 54.840 0.031 0.000 0.834 260 L CB -0.062 42.009 42.059 0.020 0.000 1.029 260 L HN 0.569 nan 8.230 nan 0.000 0.473 261 I N 1.276 121.873 120.570 0.046 0.000 2.872 261 I HA -0.064 4.106 4.170 -0.000 0.000 0.291 261 I C -0.417 175.686 176.117 -0.023 0.000 1.216 261 I CA 0.403 61.718 61.300 0.025 0.000 1.424 261 I CB 0.654 38.684 38.000 0.049 0.000 1.351 261 I HN 0.010 nan 8.210 nan 0.000 0.592 262 L N 8.390 129.546 121.223 -0.111 0.000 2.573 262 L HA 0.452 4.792 4.340 -0.000 0.000 0.260 262 L C -2.348 174.388 176.870 -0.224 0.000 0.997 262 L CA -1.207 53.489 54.840 -0.241 0.000 0.890 262 L CB 1.162 43.139 42.059 -0.137 0.000 1.179 262 L HN 0.324 nan 8.230 nan 0.000 0.439 263 P HA 0.294 nan 4.420 nan 0.000 0.269 263 P C -2.778 174.436 177.300 -0.144 0.000 1.215 263 P CA -0.871 62.120 63.100 -0.183 0.000 0.780 263 P CB 0.010 31.598 31.700 -0.187 0.000 0.898 264 P HA 0.326 nan 4.420 nan 0.000 0.276 264 P C -0.274 177.001 177.300 -0.041 0.000 1.252 264 P CA -0.324 62.746 63.100 -0.050 0.000 0.802 264 P CB 0.964 32.638 31.700 -0.044 0.000 1.035 265 I N 1.279 121.850 120.570 0.003 0.000 2.315 265 I HA 0.244 4.414 4.170 -0.000 0.000 0.291 265 I C 0.744 176.871 176.117 0.017 0.000 1.006 265 I CA -0.526 60.795 61.300 0.035 0.000 1.265 265 I CB 0.766 38.867 38.000 0.168 0.000 1.387 265 I HN 0.115 nan 8.210 nan 0.000 0.475 266 K N 5.736 126.132 120.400 -0.008 0.000 2.185 266 K HA 0.646 4.966 4.320 -0.000 0.000 0.269 266 K C -1.050 175.533 176.600 -0.028 0.000 0.987 266 K CA -0.671 55.605 56.287 -0.017 0.000 0.865 266 K CB 2.584 35.077 32.500 -0.012 0.000 1.090 266 K HN 0.276 nan 8.250 nan 0.000 0.450 267 V N 4.173 124.069 119.914 -0.029 0.000 2.604 267 V HA 0.428 4.548 4.120 -0.000 0.000 0.305 267 V C -0.584 175.485 176.094 -0.042 0.000 1.043 267 V CA -0.843 61.426 62.300 -0.052 0.000 0.888 267 V CB 1.765 33.563 31.823 -0.040 0.000 0.995 267 V HN 0.794 nan 8.190 nan 0.000 0.429 268 M N 5.315 124.886 119.600 -0.049 0.000 2.321 268 M HA 0.686 5.166 4.480 -0.000 0.000 0.315 268 M C -1.853 174.419 176.300 -0.047 0.000 1.052 268 M CA -0.515 54.763 55.300 -0.037 0.000 0.936 268 M CB 1.859 34.447 32.600 -0.021 0.000 1.639 268 M HN 0.414 nan 8.290 nan 0.000 0.433 269 V N 4.495 124.385 119.914 -0.040 0.000 2.350 269 V HA 0.745 4.865 4.120 -0.000 0.000 0.285 269 V C -0.244 175.830 176.094 -0.032 0.000 1.014 269 V CA -0.628 61.644 62.300 -0.046 0.000 0.831 269 V CB 0.946 32.739 31.823 -0.050 0.000 1.000 269 V HN 0.914 nan 8.190 nan 0.000 0.433 270 A N 5.297 128.102 122.820 -0.024 0.000 2.330 270 A HA 0.904 5.224 4.320 -0.000 0.000 0.327 270 A C -1.110 176.473 177.584 -0.002 0.000 1.155 270 A CA -0.565 51.468 52.037 -0.007 0.000 0.803 270 A CB 1.417 20.422 19.000 0.008 0.000 1.208 270 A HN 0.808 nan 8.150 nan 0.000 0.477 271 L N 2.977 124.201 121.223 0.001 0.000 2.316 271 L HA 0.747 5.087 4.340 -0.000 0.000 0.280 271 L C 0.389 177.267 176.870 0.014 0.000 1.006 271 L CA 0.226 55.069 54.840 0.005 0.000 0.836 271 L CB 1.167 43.225 42.059 -0.002 0.000 1.221 271 L HN 0.806 nan 8.230 nan 0.000 0.418 272 G N 2.727 111.541 108.800 0.022 0.000 2.828 272 G HA2 0.308 4.268 3.960 -0.000 0.000 0.244 272 G HA3 0.308 4.268 3.960 -0.000 0.000 0.244 272 G C 0.139 175.052 174.900 0.021 0.000 1.365 272 G CA -0.233 44.880 45.100 0.023 0.000 1.041 272 G HN 0.514 nan 8.290 nan 0.000 0.560 273 E N -0.247 119.964 120.200 0.019 0.000 2.274 273 E HA -0.037 4.313 4.350 -0.000 0.000 0.194 273 E C 1.716 178.328 176.600 0.020 0.000 0.996 273 E CA 1.375 57.786 56.400 0.017 0.000 0.840 273 E CB 0.364 30.073 29.700 0.014 0.000 0.772 273 E HN 0.838 nan 8.360 nan 0.000 0.491 274 E N -0.777 119.438 120.200 0.025 0.000 2.633 274 E HA 0.092 4.442 4.350 -0.000 0.000 0.214 274 E C -0.298 176.325 176.600 0.039 0.000 0.898 274 E CA -0.252 56.166 56.400 0.029 0.000 1.422 274 E CB 0.346 30.061 29.700 0.025 0.000 1.398 274 E HN -0.157 nan 8.360 nan 0.000 0.752 275 D N 1.266 121.693 120.400 0.045 0.000 2.198 275 D HA 0.446 5.086 4.640 -0.000 0.000 0.247 275 D C -1.154 175.179 176.300 0.056 0.000 1.010 275 D CA -0.437 53.605 54.000 0.070 0.000 0.880 275 D CB 2.541 43.405 40.800 0.108 0.000 1.209 275 D HN 0.081 nan 8.370 nan 0.000 0.451 276 L N 1.215 122.468 121.223 0.049 0.000 2.377 276 L HA 0.381 4.721 4.340 -0.000 0.000 0.270 276 L C -1.044 175.831 176.870 0.008 0.000 0.991 276 L CA -0.230 54.614 54.840 0.007 0.000 0.851 276 L CB 0.910 42.947 42.059 -0.037 0.000 1.218 276 L HN 0.219 nan 8.230 nan 0.000 0.420 277 S N 5.461 121.165 115.700 0.006 0.000 2.472 277 S HA 0.668 5.138 4.470 -0.000 0.000 0.303 277 S C -0.471 174.071 174.600 -0.098 0.000 1.099 277 S CA -0.459 57.713 58.200 -0.047 0.000 1.077 277 S CB 1.722 64.928 63.200 0.009 0.000 1.031 277 S HN 0.445 nan 8.310 nan 0.000 0.487 278 I N 2.594 123.065 120.570 -0.164 0.000 2.411 278 I HA 0.407 4.577 4.170 -0.000 0.000 0.284 278 I C -0.247 175.759 176.117 -0.185 0.000 1.012 278 I CA -0.446 60.764 61.300 -0.150 0.000 1.119 278 I CB 1.476 39.390 38.000 -0.143 0.000 1.261 278 I HN 0.382 nan 8.210 nan 0.000 0.448 279 K N 7.741 128.058 120.400 -0.138 0.000 2.244 279 K HA 0.601 4.921 4.320 -0.000 0.000 0.260 279 K C -1.147 175.372 176.600 -0.135 0.000 0.951 279 K CA -0.664 55.548 56.287 -0.125 0.000 0.826 279 K CB 1.780 34.253 32.500 -0.046 0.000 1.108 279 K HN 0.631 nan 8.250 nan 0.000 0.433 280 M N 3.650 123.144 119.600 -0.176 0.000 2.072 280 M HA 0.252 4.732 4.480 -0.000 0.000 0.331 280 M C -1.402 174.816 176.300 -0.137 0.000 1.004 280 M CA -0.285 54.894 55.300 -0.202 0.000 0.952 280 M CB 1.435 33.825 32.600 -0.349 0.000 1.511 280 M HN 0.497 nan 8.290 nan 0.000 0.422 281 S N 3.976 119.628 115.700 -0.080 0.000 2.437 281 S HA 0.491 4.961 4.470 -0.000 0.000 0.305 281 S C -0.896 173.668 174.600 -0.059 0.000 1.109 281 S CA -0.798 57.377 58.200 -0.043 0.000 1.099 281 S CB 1.065 64.270 63.200 0.008 0.000 1.004 281 S HN 0.798 nan 8.310 nan 0.000 0.475 282 D N 0.879 121.228 120.400 -0.085 0.000 2.493 282 D HA 0.473 5.113 4.640 -0.000 0.000 0.239 282 D C -0.443 175.730 176.300 -0.212 0.000 1.049 282 D CA -1.100 52.828 54.000 -0.119 0.000 1.008 282 D CB 0.889 41.626 40.800 -0.105 0.000 1.398 282 D HN 0.303 nan 8.370 nan 0.000 0.513 283 R N -0.031 120.319 120.500 -0.250 0.000 2.834 283 R HA 0.388 4.728 4.340 -0.000 0.000 0.362 283 R C 0.391 176.595 176.300 -0.159 0.000 1.147 283 R CA -0.468 55.405 56.100 -0.378 0.000 1.125 283 R CB 1.222 31.273 30.300 -0.414 0.000 1.361 283 R HN 0.595 nan 8.270 nan 0.000 0.598 284 G N -0.351 108.375 108.800 -0.124 0.000 3.379 284 G HA2 0.281 4.241 3.960 -0.000 0.000 0.253 284 G HA3 0.281 4.241 3.960 -0.000 0.000 0.253 284 G C 1.010 175.887 174.900 -0.039 0.000 1.262 284 G CA 0.421 45.492 45.100 -0.048 0.000 0.959 284 G HN 0.519 nan 8.290 nan 0.000 0.524 285 G N -1.107 107.661 108.800 -0.053 0.000 2.268 285 G HA2 0.183 4.143 3.960 -0.000 0.000 0.240 285 G HA3 0.183 4.143 3.960 -0.000 0.000 0.240 285 G C 1.135 176.033 174.900 -0.004 0.000 1.010 285 G CA 0.628 45.709 45.100 -0.032 0.000 0.618 285 G HN 2.196 nan 8.290 nan 0.000 0.516 286 G N -2.074 106.717 108.800 -0.014 0.000 2.860 286 G HA2 0.255 4.215 3.960 -0.000 0.000 0.553 286 G HA3 0.255 4.215 3.960 -0.000 0.000 0.553 286 G C -0.359 174.546 174.900 0.009 0.000 1.439 286 G CA 0.121 45.231 45.100 0.016 0.000 0.879 286 G HN 1.625 nan 8.290 nan 0.000 0.545 287 V N 1.533 121.459 119.914 0.019 0.000 2.789 287 V HA 0.636 4.755 4.120 -0.000 0.000 0.311 287 V C -2.101 174.010 176.094 0.030 0.000 1.073 287 V CA -1.206 61.102 62.300 0.012 0.000 0.921 287 V CB 2.528 34.350 31.823 -0.002 0.000 1.009 287 V HN 0.792 nan 8.190 nan 0.000 0.426 288 P HA 0.138 nan 4.420 nan 0.000 0.271 288 P C 0.701 178.023 177.300 0.037 0.000 1.216 288 P CA -0.235 62.882 63.100 0.028 0.000 0.771 288 P CB 0.672 32.382 31.700 0.017 0.000 0.864 289 L N 4.225 125.476 121.223 0.047 0.000 2.089 289 L HA -0.224 4.116 4.340 -0.000 0.000 0.213 289 L C 2.337 179.238 176.870 0.051 0.000 1.079 289 L CA 1.919 56.794 54.840 0.058 0.000 0.758 289 L CB -0.746 41.348 42.059 0.057 0.000 0.891 289 L HN 0.362 nan 8.230 nan 0.000 0.433 290 R N -0.414 120.106 120.500 0.034 0.000 2.105 290 R HA -0.183 4.157 4.340 -0.000 0.000 0.239 290 R C 2.008 178.320 176.300 0.019 0.000 1.135 290 R CA 1.793 57.907 56.100 0.024 0.000 0.967 290 R CB -0.096 30.211 30.300 0.011 0.000 0.861 290 R HN 0.416 nan 8.270 nan 0.000 0.442 291 K N -0.096 120.313 120.400 0.016 0.000 2.400 291 K HA 0.065 4.385 4.320 -0.000 0.000 0.194 291 K C 1.837 178.456 176.600 0.032 0.000 1.033 291 K CA -0.012 56.279 56.287 0.006 0.000 1.021 291 K CB 0.262 32.757 32.500 -0.008 0.000 0.808 291 K HN 0.137 nan 8.250 nan 0.000 0.505 292 I N 1.737 122.342 120.570 0.058 0.000 2.163 292 I HA -0.256 3.914 4.170 -0.000 0.000 0.243 292 I C 2.295 178.511 176.117 0.166 0.000 1.085 292 I CA 1.627 62.986 61.300 0.098 0.000 1.347 292 I CB -0.715 37.357 38.000 0.120 0.000 1.044 292 I HN 0.223 nan 8.210 nan 0.000 0.408 293 E N 1.198 121.486 120.200 0.147 0.000 2.097 293 E HA -0.235 4.115 4.350 -0.000 0.000 0.196 293 E C 2.286 179.014 176.600 0.213 0.000 1.000 293 E CA 1.523 58.029 56.400 0.177 0.000 0.804 293 E CB -0.091 29.683 29.700 0.124 0.000 0.740 293 E HN 0.325 nan 8.360 nan 0.000 0.454 294 R N -0.444 120.147 120.500 0.151 0.000 2.189 294 R HA 0.033 4.372 4.340 -0.000 0.000 0.218 294 R C 2.219 178.603 176.300 0.140 0.000 1.074 294 R CA 0.758 56.961 56.100 0.173 0.000 0.991 294 R CB -0.148 30.174 30.300 0.035 0.000 0.883 294 R HN 0.262 nan 8.270 nan 0.000 0.457 295 L N -0.674 120.589 121.223 0.066 0.000 2.275 295 L HA -0.097 4.243 4.340 -0.000 0.000 0.215 295 L C 1.091 177.838 176.870 -0.206 0.000 1.119 295 L CA 1.083 55.862 54.840 -0.101 0.000 0.790 295 L CB -0.145 41.785 42.059 -0.215 0.000 0.919 295 L HN 0.151 nan 8.230 nan 0.000 0.443 296 F N -1.040 118.908 119.950 -0.003 0.000 2.727 296 F HA 0.126 4.653 4.527 -0.000 0.000 0.302 296 F C 1.519 177.249 175.800 -0.117 0.000 1.097 296 F CA -0.195 57.772 58.000 -0.055 0.000 1.330 296 F CB 0.261 39.245 39.000 -0.027 0.000 1.084 296 F HN -0.156 nan 8.300 nan 0.000 0.578 297 S N -0.608 115.160 115.700 0.112 0.000 2.545 297 S HA 0.107 4.577 4.470 -0.000 0.000 0.275 297 S C 0.961 175.578 174.600 0.028 0.000 1.299 297 S CA -0.380 57.868 58.200 0.079 0.000 1.048 297 S CB 0.508 63.845 63.200 0.229 0.000 0.938 297 S HN 0.261 nan 8.310 nan 0.000 0.496 298 Y N 3.465 123.877 120.300 0.186 0.000 2.184 298 Y HA -0.018 4.532 4.550 0.000 0.000 0.290 298 Y C 2.336 178.332 175.900 0.160 0.000 1.129 298 Y CA 1.593 59.865 58.100 0.286 0.000 1.144 298 Y CB -0.401 38.271 38.460 0.354 0.000 0.995 298 Y HN 0.739 nan 8.280 nan 0.000 0.513 299 M N -1.197 118.508 119.600 0.174 0.000 2.077 299 M HA -0.256 4.224 4.480 -0.000 0.000 0.261 299 M C 1.654 177.982 176.300 0.047 0.000 1.070 299 M CA 1.981 57.294 55.300 0.021 0.000 1.125 299 M CB -0.421 32.054 32.600 -0.208 0.000 1.339 299 M HN 0.339 nan 8.290 nan 0.000 0.409 300 Y N -0.412 119.961 120.300 0.121 0.000 2.352 300 Y HA -0.120 4.430 4.550 0.000 0.000 0.292 300 Y C 2.427 178.351 175.900 0.039 0.000 1.136 300 Y CA 0.746 58.891 58.100 0.076 0.000 1.227 300 Y CB -0.193 38.307 38.460 0.066 0.000 0.991 300 Y HN 0.449 nan 8.280 nan 0.000 0.545 301 S N -1.405 114.385 115.700 0.150 0.000 2.614 301 S HA 0.153 4.623 4.470 -0.000 0.000 0.230 301 S C 0.368 174.949 174.600 -0.032 0.000 0.952 301 S CA -0.372 57.843 58.200 0.026 0.000 0.949 301 S CB -0.268 62.903 63.200 -0.049 0.000 0.786 301 S HN -0.006 nan 8.310 nan 0.000 0.478 315 L N -1.165 119.792 121.223 -0.444 0.000 2.586 315 L HA 0.665 5.005 4.340 -0.000 0.000 0.204 315 L C 0.806 177.527 176.870 -0.248 0.000 1.053 315 L CA 1.065 55.758 54.840 -0.246 0.000 0.856 315 L CB -0.517 41.465 42.059 -0.128 0.000 1.192 315 L HN 0.515 nan 8.230 nan 0.000 0.484 316 A N -1.336 121.341 122.820 -0.239 0.000 2.306 316 A HA 0.729 5.049 4.320 -0.000 0.000 0.330 316 A C 0.395 177.818 177.584 -0.269 0.000 1.146 316 A CA 0.290 52.162 52.037 -0.276 0.000 0.827 316 A CB 0.922 19.793 19.000 -0.216 0.000 1.178 316 A HN 0.305 nan 8.150 nan 0.000 0.490 317 G N 0.042 108.617 108.800 -0.375 0.000 3.038 317 G HA2 0.447 4.407 3.960 -0.000 0.000 0.168 317 G HA3 0.447 4.407 3.960 -0.000 0.000 0.168 317 G C 0.122 174.876 174.900 -0.243 0.000 1.559 317 G CA 0.256 45.207 45.100 -0.248 0.000 0.990 317 G HN 0.971 nan 8.290 nan 0.000 0.765 318 F N 1.088 120.999 119.950 -0.065 0.000 2.380 318 F HA 0.609 5.136 4.527 0.000 0.000 0.295 318 F C 1.037 176.687 175.800 -0.250 0.000 1.292 318 F CA -0.504 57.403 58.000 -0.156 0.000 1.248 318 F CB 0.328 39.256 39.000 -0.120 0.000 1.338 318 F HN 0.340 nan 8.300 nan 0.000 0.524 319 G N -0.597 108.057 108.800 -0.243 0.000 4.873 319 G HA2 0.332 4.292 3.960 -0.000 0.000 0.314 319 G HA3 0.332 4.292 3.960 -0.000 0.000 0.314 319 G C -0.744 174.020 174.900 -0.227 0.000 1.426 319 G CA -0.109 44.831 45.100 -0.266 0.000 1.136 319 G HN 0.595 nan 8.290 nan 0.000 0.589 320 Y N -0.444 120.119 120.300 0.440 0.000 2.453 320 Y HA 0.229 4.779 4.550 0.000 0.000 0.247 320 Y C 2.320 178.381 175.900 0.268 0.000 1.124 320 Y CA -0.533 57.793 58.100 0.377 0.000 1.243 320 Y CB 0.316 39.028 38.460 0.420 0.000 1.213 320 Y HN 0.300 nan 8.280 nan 0.000 0.523 321 G N 0.694 109.644 108.800 0.250 0.000 2.459 321 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 321 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 321 G C 1.670 176.618 174.900 0.081 0.000 1.183 321 G CA 1.076 46.248 45.100 0.120 0.000 0.776 321 G HN 0.311 nan 8.290 nan 0.000 0.552 322 L N 1.265 122.457 121.223 -0.053 0.000 1.988 322 L HA -0.018 4.322 4.340 -0.000 0.000 0.207 322 L C 0.437 177.355 176.870 0.080 0.000 1.071 322 L CA 1.274 56.029 54.840 -0.141 0.000 0.744 322 L CB -1.042 40.667 42.059 -0.583 0.000 0.893 322 L HN 0.194 nan 8.230 nan 0.000 0.433 323 P HA -0.212 nan 4.420 nan 0.000 0.216 323 P C 1.775 179.198 177.300 0.205 0.000 1.150 323 P CA 1.820 65.006 63.100 0.143 0.000 0.843 323 P CB -0.009 31.526 31.700 -0.274 0.000 0.787 324 I N -0.683 120.028 120.570 0.234 0.000 2.500 324 I HA -0.120 4.050 4.170 -0.000 0.000 0.252 324 I C 2.394 178.694 176.117 0.305 0.000 1.142 324 I CA 0.981 62.402 61.300 0.201 0.000 1.451 324 I CB -0.492 37.610 38.000 0.170 0.000 1.093 324 I HN -0.048 nan 8.210 nan 0.000 0.430 325 S N 0.454 116.379 115.700 0.375 0.000 2.383 325 S HA -0.177 4.293 4.470 -0.000 0.000 0.227 325 S C 2.065 176.875 174.600 0.350 0.000 1.026 325 S CA 1.176 59.634 58.200 0.431 0.000 0.981 325 S CB -0.237 63.141 63.200 0.297 0.000 0.818 325 S HN 0.348 nan 8.310 nan 0.000 0.472 326 R N 0.987 121.665 120.500 0.297 0.000 2.073 326 R HA -0.016 4.324 4.340 -0.000 0.000 0.234 326 R C 2.108 178.525 176.300 0.196 0.000 1.134 326 R CA 1.173 57.424 56.100 0.252 0.000 0.952 326 R CB -0.393 30.056 30.300 0.250 0.000 0.850 326 R HN 0.346 nan 8.270 nan 0.000 0.433 327 L N -0.540 120.769 121.223 0.143 0.000 2.042 327 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 327 L C 2.258 179.139 176.870 0.018 0.000 1.076 327 L CA 1.591 56.452 54.840 0.035 0.000 0.749 327 L CB -0.715 41.304 42.059 -0.065 0.000 0.893 327 L HN 0.281 nan 8.230 nan 0.000 0.432 328 Y N -0.020 120.315 120.300 0.058 0.000 2.165 328 Y HA -0.298 4.252 4.550 -0.000 0.000 0.286 328 Y C 2.688 178.751 175.900 0.271 0.000 1.155 328 Y CA 1.338 59.481 58.100 0.072 0.000 1.164 328 Y CB -0.448 38.023 38.460 0.019 0.000 0.978 328 Y HN 0.161 nan 8.280 nan 0.000 0.513 329 A N 0.072 123.136 122.820 0.405 0.000 1.902 329 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 329 A C 2.110 179.887 177.584 0.322 0.000 1.181 329 A CA 1.818 54.074 52.037 0.365 0.000 0.623 329 A CB -0.504 18.656 19.000 0.268 0.000 0.818 329 A HN 0.392 nan 8.150 nan 0.000 0.443 330 K N -1.760 118.785 120.400 0.241 0.000 2.211 330 K HA -0.138 4.182 4.320 -0.000 0.000 0.203 330 K C 1.827 178.538 176.600 0.185 0.000 1.050 330 K CA 1.228 57.624 56.287 0.181 0.000 0.945 330 K CB -0.324 32.247 32.500 0.118 0.000 0.732 330 K HN 0.574 nan 8.250 nan 0.000 0.451 331 Y N 0.398 120.722 120.300 0.039 0.000 2.181 331 Y HA -0.227 4.323 4.550 -0.000 0.000 0.284 331 Y C 0.762 176.535 175.900 -0.212 0.000 1.179 331 Y CA 1.476 59.507 58.100 -0.116 0.000 1.179 331 Y CB -0.094 38.269 38.460 -0.162 0.000 0.973 331 Y HN -0.077 nan 8.280 nan 0.000 0.519 332 F N 1.340 121.309 119.950 0.031 0.000 2.923 332 F HA 0.257 4.784 4.527 -0.000 0.000 0.314 332 F C 0.406 176.251 175.800 0.075 0.000 1.196 332 F CA -0.590 57.389 58.000 -0.035 0.000 1.320 332 F CB -0.081 38.951 39.000 0.054 0.000 0.953 332 F HN -0.048 nan 8.300 nan 0.000 0.505 333 Q N -1.301 118.607 119.800 0.179 0.000 2.465 333 Q HA -0.154 4.186 4.340 -0.000 0.000 0.248 333 Q C 0.593 176.691 176.000 0.163 0.000 0.819 333 Q CA 0.948 56.840 55.803 0.148 0.000 1.219 333 Q CB -1.907 26.912 28.738 0.136 0.000 1.472 333 Q HN 0.605 nan 8.270 nan 0.000 0.630 334 G N -0.713 108.215 108.800 0.213 0.000 2.702 334 G HA2 0.593 4.553 3.960 -0.000 0.000 0.254 334 G HA3 0.593 4.553 3.960 -0.000 0.000 0.254 334 G C -0.656 174.365 174.900 0.202 0.000 1.380 334 G CA 0.408 45.637 45.100 0.214 0.000 1.042 334 G HN 0.094 nan 8.290 nan 0.000 0.557 335 D N -2.306 118.244 120.400 0.250 0.000 2.665 335 D HA 0.494 5.134 4.640 -0.000 0.000 0.287 335 D C -1.698 174.762 176.300 0.266 0.000 1.266 335 D CA -0.477 53.666 54.000 0.238 0.000 0.830 335 D CB 1.823 42.747 40.800 0.206 0.000 1.356 335 D HN 0.339 nan 8.370 nan 0.000 0.437 336 L N 1.642 122.988 121.223 0.205 0.000 2.482 336 L HA 0.477 4.817 4.340 -0.000 0.000 0.269 336 L C -1.393 175.559 176.870 0.138 0.000 0.967 336 L CA -0.236 54.702 54.840 0.163 0.000 0.851 336 L CB 1.373 43.543 42.059 0.186 0.000 1.242 336 L HN 0.394 nan 8.230 nan 0.000 0.404 337 Q N 3.945 123.820 119.800 0.125 0.000 2.433 337 Q HA 0.647 4.987 4.340 -0.000 0.000 0.279 337 Q C -1.727 174.178 176.000 -0.158 0.000 1.105 337 Q CA -0.989 54.869 55.803 0.092 0.000 0.815 337 Q CB 3.432 32.371 28.738 0.335 0.000 1.403 337 Q HN 0.433 nan 8.270 nan 0.000 0.435 338 L N 1.987 123.131 121.223 -0.131 0.000 2.385 338 L HA 0.588 4.928 4.340 -0.000 0.000 0.273 338 L C -1.722 174.969 176.870 -0.299 0.000 0.990 338 L CA -0.234 54.406 54.840 -0.333 0.000 0.821 338 L CB 1.386 43.469 42.059 0.041 0.000 1.279 338 L HN 0.520 nan 8.230 nan 0.000 0.412 339 F N 1.024 121.029 119.950 0.091 0.000 2.557 339 F HA 0.768 5.295 4.527 -0.000 0.000 0.316 339 F C -0.017 175.823 175.800 0.067 0.000 1.141 339 F CA -0.792 57.255 58.000 0.077 0.000 0.922 339 F CB 1.775 40.818 39.000 0.071 0.000 1.194 339 F HN 0.325 nan 8.300 nan 0.000 0.443 340 S N 2.967 118.781 115.700 0.189 0.000 2.677 340 S HA 0.824 5.294 4.470 -0.000 0.000 0.304 340 S C -0.855 173.837 174.600 0.153 0.000 1.108 340 S CA -0.787 57.494 58.200 0.134 0.000 0.944 340 S CB 1.358 64.600 63.200 0.069 0.000 1.127 340 S HN 0.610 nan 8.310 nan 0.000 0.511 341 M N 3.107 122.802 119.600 0.159 0.000 1.980 341 M HA 0.317 4.797 4.480 -0.000 0.000 0.282 341 M C -0.431 175.959 176.300 0.149 0.000 0.878 341 M CA -0.244 55.153 55.300 0.163 0.000 0.900 341 M CB 0.680 33.421 32.600 0.236 0.000 1.577 341 M HN 0.800 nan 8.290 nan 0.000 0.396 342 E N 1.057 121.315 120.200 0.097 0.000 2.529 342 E HA 0.195 4.545 4.350 -0.000 0.000 0.259 342 E C 1.120 177.775 176.600 0.091 0.000 0.966 342 E CA 1.534 57.979 56.400 0.075 0.000 0.937 342 E CB 0.502 30.231 29.700 0.048 0.000 0.923 342 E HN 0.958 nan 8.360 nan 0.000 0.468 343 G N 3.314 112.165 108.800 0.085 0.000 2.176 343 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.232 343 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.232 343 G C 0.078 175.090 174.900 0.187 0.000 0.986 343 G CA 0.256 45.413 45.100 0.095 0.000 0.643 343 G HN 0.604 nan 8.290 nan 0.000 0.522 344 F N -0.015 119.942 119.950 0.011 0.000 1.832 344 F HA 0.536 5.063 4.527 -0.000 0.000 0.236 344 F C 1.097 176.918 175.800 0.035 0.000 1.180 344 F CA 1.867 59.881 58.000 0.024 0.000 1.297 344 F CB 0.439 39.454 39.000 0.025 0.000 1.748 344 F HN 0.827 nan 8.300 nan 0.000 0.453 345 G N -0.223 108.560 108.800 -0.029 0.000 2.340 345 G HA2 0.466 4.426 3.960 -0.000 0.000 0.299 345 G HA3 0.466 4.426 3.960 -0.000 0.000 0.299 345 G C -1.729 173.185 174.900 0.023 0.000 1.291 345 G CA -0.112 44.897 45.100 -0.150 0.000 0.841 345 G HN 0.173 nan 8.290 nan 0.000 0.500 346 T N 0.621 115.160 114.554 -0.025 0.000 2.909 346 T HA 0.638 4.988 4.350 -0.000 0.000 0.299 346 T C -1.847 172.834 174.700 -0.031 0.000 1.073 346 T CA -0.527 61.569 62.100 -0.008 0.000 0.999 346 T CB 2.064 70.896 68.868 -0.059 0.000 1.098 346 T HN 0.382 nan 8.240 nan 0.000 0.477 347 D N 1.649 122.026 120.400 -0.038 0.000 2.308 347 D HA 0.642 5.282 4.640 -0.000 0.000 0.242 347 D C -0.800 175.267 176.300 -0.388 0.000 1.059 347 D CA -0.210 53.734 54.000 -0.093 0.000 0.830 347 D CB 1.560 42.462 40.800 0.169 0.000 1.161 347 D HN 0.707 nan 8.370 nan 0.000 0.494 348 A N 2.083 124.718 122.820 -0.308 0.000 2.319 348 A HA 0.637 4.957 4.320 -0.000 0.000 0.310 348 A C -0.853 176.555 177.584 -0.294 0.000 1.152 348 A CA -0.619 51.211 52.037 -0.345 0.000 0.783 348 A CB 0.943 19.795 19.000 -0.247 0.000 1.184 348 A HN 0.350 nan 8.150 nan 0.000 0.474 349 V N 3.990 123.714 119.914 -0.316 0.000 2.448 349 V HA 0.409 4.529 4.120 -0.000 0.000 0.295 349 V C -0.300 175.576 176.094 -0.363 0.000 1.025 349 V CA -0.276 61.827 62.300 -0.327 0.000 0.859 349 V CB 1.529 33.154 31.823 -0.330 0.000 0.988 349 V HN 0.764 nan 8.190 nan 0.000 0.431 350 I N 4.982 125.344 120.570 -0.347 0.000 2.312 350 I HA 0.393 4.563 4.170 -0.000 0.000 0.290 350 I C -1.005 174.937 176.117 -0.292 0.000 1.008 350 I CA -0.386 60.785 61.300 -0.214 0.000 1.226 350 I CB 0.852 38.783 38.000 -0.114 0.000 1.371 350 I HN 0.528 nan 8.210 nan 0.000 0.468 351 Y N 6.893 127.219 120.300 0.043 0.000 2.335 351 Y HA 0.578 5.128 4.550 -0.000 0.000 0.339 351 Y C -0.034 175.883 175.900 0.029 0.000 0.987 351 Y CA -0.557 57.565 58.100 0.036 0.000 1.140 351 Y CB 1.092 39.585 38.460 0.056 0.000 1.173 351 Y HN 0.342 nan 8.280 nan 0.000 0.486 352 L N 2.850 124.147 121.223 0.124 0.000 2.301 352 L HA 0.567 4.907 4.340 -0.000 0.000 0.264 352 L C -0.619 176.291 176.870 0.067 0.000 1.016 352 L CA -1.417 53.450 54.840 0.044 0.000 0.821 352 L CB 2.109 44.069 42.059 -0.165 0.000 1.346 352 L HN 0.407 nan 8.230 nan 0.000 0.429 353 K N 0.233 120.679 120.400 0.076 0.000 2.248 353 K HA 0.395 4.715 4.320 -0.000 0.000 0.281 353 K C 0.615 177.238 176.600 0.039 0.000 1.054 353 K CA 0.036 56.367 56.287 0.073 0.000 0.903 353 K CB 1.703 34.264 32.500 0.101 0.000 1.077 353 K HN 0.676 nan 8.250 nan 0.000 0.474 354 A N 5.129 127.967 122.820 0.031 0.000 1.902 354 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 354 A C 0.519 178.116 177.584 0.022 0.000 1.181 354 A CA 1.060 53.108 52.037 0.018 0.000 0.623 354 A CB -0.425 18.587 19.000 0.021 0.000 0.818 354 A HN 0.609 nan 8.150 nan 0.000 0.443 355 L N 0.651 121.891 121.223 0.029 0.000 2.292 355 L HA 0.189 4.529 4.340 -0.000 0.000 0.284 355 L C 1.707 178.595 176.870 0.030 0.000 1.065 355 L CA 0.080 54.936 54.840 0.027 0.000 0.806 355 L CB 1.401 43.477 42.059 0.027 0.000 1.175 355 L HN 0.432 nan 8.230 nan 0.000 0.431 356 S N -0.009 115.703 115.700 0.020 0.000 2.440 356 S HA -0.177 4.293 4.470 -0.000 0.000 0.238 356 S C 1.505 176.124 174.600 0.031 0.000 1.010 356 S CA 1.536 59.743 58.200 0.012 0.000 0.972 356 S CB -0.545 62.657 63.200 0.003 0.000 0.774 356 S HN 0.815 nan 8.310 nan 0.000 0.501 357 T N 1.792 116.366 114.554 0.034 0.000 2.821 357 T HA -0.033 4.317 4.350 -0.000 0.000 0.267 357 T C 1.148 175.882 174.700 0.056 0.000 1.046 357 T CA 1.284 63.408 62.100 0.041 0.000 1.139 357 T CB -0.402 68.485 68.868 0.031 0.000 0.871 357 T HN 0.452 nan 8.240 nan 0.000 0.454 358 D N 1.561 121.997 120.400 0.059 0.000 2.349 358 D HA 0.078 4.718 4.640 -0.000 0.000 0.224 358 D C 0.186 176.551 176.300 0.110 0.000 1.029 358 D CA 0.265 54.309 54.000 0.074 0.000 0.879 358 D CB 0.023 40.862 40.800 0.064 0.000 0.906 358 D HN 0.253 nan 8.370 nan 0.000 0.528 359 S N 1.012 116.780 115.700 0.114 0.000 2.681 359 S HA 0.285 4.755 4.470 -0.000 0.000 0.313 359 S C 0.086 174.858 174.600 0.286 0.000 1.137 359 S CA -0.381 57.923 58.200 0.173 0.000 1.045 359 S CB 0.845 64.049 63.200 0.005 0.000 1.208 359 S HN -0.098 nan 8.310 nan 0.000 0.523 360 V N 2.845 122.942 119.914 0.305 0.000 2.735 360 V HA 0.310 4.430 4.120 -0.000 0.000 0.310 360 V C 0.218 176.361 176.094 0.082 0.000 1.061 360 V CA -1.194 61.249 62.300 0.239 0.000 0.913 360 V CB 1.941 33.843 31.823 0.131 0.000 1.005 360 V HN 0.658 nan 8.190 nan 0.000 0.428 361 E N 2.473 122.634 120.200 -0.065 0.000 2.502 361 E HA 0.053 4.403 4.350 -0.000 0.000 0.261 361 E C -0.033 176.473 176.600 -0.156 0.000 0.974 361 E CA 0.179 56.339 56.400 -0.399 0.000 0.936 361 E CB 0.820 30.429 29.700 -0.152 0.000 0.926 361 E HN 0.414 nan 8.360 nan 0.000 0.459 362 R N 4.230 124.637 120.500 -0.155 0.000 2.246 362 R HA 0.314 4.654 4.340 -0.000 0.000 0.332 362 R C -1.164 175.164 176.300 0.045 0.000 0.974 362 R CA -0.378 55.715 56.100 -0.012 0.000 0.837 362 R CB 0.258 30.566 30.300 0.012 0.000 1.145 362 R HN 0.415 nan 8.270 nan 0.000 0.467 363 L N 6.258 127.504 121.223 0.039 0.000 2.362 363 L HA 0.578 4.918 4.340 -0.000 0.000 0.275 363 L C -1.925 174.955 176.870 0.016 0.000 0.998 363 L CA -2.230 52.633 54.840 0.038 0.000 0.820 363 L CB 2.024 44.117 42.059 0.056 0.000 1.270 363 L HN 0.576 nan 8.230 nan 0.000 0.415 364 P HA 0.291 nan 4.420 nan 0.000 0.275 364 P C -0.950 176.365 177.300 0.025 0.000 1.227 364 P CA -0.270 62.818 63.100 -0.021 0.000 0.781 364 P CB 2.024 33.678 31.700 -0.077 0.000 0.906 365 V N 3.332 123.277 119.914 0.052 0.000 2.823 365 V HA 0.183 4.303 4.120 -0.000 0.000 0.312 365 V C -0.633 175.561 176.094 0.167 0.000 1.072 365 V CA -0.850 61.512 62.300 0.102 0.000 0.937 365 V CB 1.920 33.790 31.823 0.078 0.000 1.013 365 V HN 0.495 nan 8.190 nan 0.000 0.430 366 Y N 5.306 125.659 120.300 0.088 0.000 2.404 366 Y HA 0.504 5.054 4.550 -0.000 0.000 0.344 366 Y C 0.071 176.043 175.900 0.120 0.000 0.995 366 Y CA -0.136 58.040 58.100 0.126 0.000 1.201 366 Y CB 0.128 38.668 38.460 0.133 0.000 1.151 366 Y HN 0.733 nan 8.280 nan 0.000 0.517 367 N N 3.580 122.080 118.700 -0.333 0.000 3.316 367 N HA 0.130 4.870 4.740 -0.000 0.000 0.300 367 N C 0.048 175.407 175.510 -0.251 0.000 1.567 367 N CA -0.673 52.175 53.050 -0.337 0.000 0.821 367 N CB 1.211 39.640 38.487 -0.097 0.000 1.748 367 N HN 0.390 nan 8.380 nan 0.000 0.603 368 K N 0.596 120.918 120.400 -0.130 0.000 2.288 368 K HA 0.083 4.403 4.320 -0.000 0.000 0.201 368 K C 1.630 178.332 176.600 0.169 0.000 1.048 368 K CA 1.304 57.587 56.287 -0.008 0.000 0.956 368 K CB -0.394 32.071 32.500 -0.060 0.000 0.746 368 K HN 0.380 nan 8.250 nan 0.000 0.461 369 S N -0.504 115.270 115.700 0.123 0.000 2.357 369 S HA 0.011 4.481 4.470 -0.000 0.000 0.221 369 S C 1.909 176.678 174.600 0.283 0.000 1.031 369 S CA 1.046 59.362 58.200 0.194 0.000 0.982 369 S CB -0.424 62.852 63.200 0.126 0.000 0.853 369 S HN 0.452 nan 8.310 nan 0.000 0.458 370 A N -0.492 122.450 122.820 0.204 0.000 2.119 370 A HA 0.058 4.378 4.320 -0.000 0.000 0.217 370 A C 1.723 179.538 177.584 0.385 0.000 1.153 370 A CA 0.894 53.065 52.037 0.223 0.000 0.692 370 A CB -0.887 18.275 19.000 0.270 0.000 0.799 370 A HN 0.844 nan 8.150 nan 0.000 0.458 371 W N 1.891 123.340 121.300 0.249 0.000 2.408 371 W HA -0.168 4.492 4.660 0.000 0.000 0.311 371 W C 2.231 178.895 176.519 0.242 0.000 1.190 371 W CA 1.835 59.364 57.345 0.305 0.000 1.321 371 W CB -0.032 29.544 29.460 0.194 0.000 1.143 371 W HN 0.362 nan 8.180 nan 0.000 0.501 372 R N -0.639 120.041 120.500 0.301 0.000 2.346 372 R HA -0.043 4.297 4.340 -0.000 0.000 0.199 372 R C 0.782 176.950 176.300 -0.220 0.000 1.015 372 R CA 1.136 57.225 56.100 -0.018 0.000 1.058 372 R CB -1.028 29.394 30.300 0.204 0.000 0.921 372 R HN 0.291 nan 8.270 nan 0.000 0.475 373 H N -0.961 117.869 119.070 -0.400 0.000 2.548 373 H HA 0.084 4.640 4.556 -0.000 0.000 0.265 373 H C 0.146 174.976 175.328 -0.831 0.000 0.969 373 H CA 0.696 56.317 56.048 -0.712 0.000 1.155 373 H CB 0.224 29.263 29.762 -1.204 0.000 1.394 373 H HN 0.240 nan 8.280 nan 0.000 0.570 374 Y N -0.157 119.937 120.300 -0.344 0.000 2.467 374 Y HA 0.159 4.709 4.550 -0.000 0.000 0.250 374 Y C 0.788 176.480 175.900 -0.347 0.000 1.155 374 Y CA -0.367 57.540 58.100 -0.321 0.000 1.249 374 Y CB 0.458 38.740 38.460 -0.295 0.000 1.146 374 Y HN 0.076 nan 8.280 nan 0.000 0.524 375 Q N 0.415 120.048 119.800 -0.278 0.000 2.171 375 Q HA 0.781 5.121 4.340 -0.000 0.000 0.217 375 Q C 0.491 176.397 176.000 -0.156 0.000 0.995 375 Q CA 0.605 56.258 55.803 -0.250 0.000 0.979 375 Q CB 0.550 29.113 28.738 -0.290 0.000 1.152 375 Q HN 0.399 nan 8.270 nan 0.000 0.525 376 T N 0.000 114.488 114.554 -0.110 0.000 3.816 376 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 376 T CA 0.000 nan 62.100 nan 0.000 1.349 376 T CB 0.000 nan 68.868 nan 0.000 0.612 376 T HN 0.000 nan 8.240 nan 0.000 0.658