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 3inl_1_A DATA FIRST_RESID 6 DATA SEQUENCE QAVPAPNQQP EVFCNQIFIN NEWHDAVSRK TFPTVNPSTG EVICQVAEGD DATA SEQUENCE KEDVDKAVKA ARAAFQLGSP WRRMDASHRG RLLNRLADLI ERDRTYLAAL DATA SEQUENCE ETLDNGKPYV ISYLVDLDMV LKCLRYYAGW ADKYHGKTIP IDGDFFSYTR DATA SEQUENCE HEPVGVCGQI IPWNFPLLMQ AWKLGPALAT GNVVVMKVAE QTPLTALYVA DATA SEQUENCE NLIKEAGFPP GVVNIVPGFG PTAGAAIASH EDVDKVAFTG STEIGRVIQV DATA SEQUENCE AAGSSNLKRV TLELGGKSPN IIMSDADMDW AVEQAHFALF FNQGQCSCAG DATA SEQUENCE SRTFVQEDIY DEFVERSVAR AKSRVVGNPF DSKTEQGPQV DETQFKKILG DATA SEQUENCE YINTGKQEGA KLLCGGGIAA DRGYFIQPTV FGDVQDGMTI AKEEIFGPVM DATA SEQUENCE QILKFKTIEE VVGRANNSTY GLAAAVFTKD LDKANYLSQA LQAGTVWVNC DATA SEQUENCE YDVFGAQSPF GGYKMSGSGR ELGEYGLQAY TKVKTVTVKV PQKNS 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 Q HA 0.000 nan 4.340 nan 0.000 0.214 6 Q C 0.000 176.068 176.000 0.114 0.000 1.003 6 Q CA 0.000 55.865 55.803 0.104 0.000 1.022 6 Q CB 0.000 28.814 28.738 0.127 0.000 1.108 7 A N 0.919 123.788 122.820 0.082 0.000 2.483 7 A HA 0.463 4.784 4.320 0.001 0.000 0.238 7 A C 0.056 177.643 177.584 0.004 0.000 1.070 7 A CA -0.189 51.876 52.037 0.045 0.000 0.770 7 A CB 0.340 19.358 19.000 0.029 0.000 1.008 7 A HN 0.485 nan 8.150 nan 0.000 0.497 8 V N 4.537 124.408 119.914 -0.072 0.000 2.368 8 V HA 0.253 4.374 4.120 0.001 0.000 0.266 8 V C -1.948 174.022 176.094 -0.206 0.000 1.045 8 V CA -1.106 61.018 62.300 -0.294 0.000 0.899 8 V CB 0.382 32.082 31.823 -0.204 0.000 1.006 8 V HN 0.819 nan 8.190 nan 0.000 0.470 9 P HA 0.263 nan 4.420 nan 0.000 0.268 9 P C -0.032 177.275 177.300 0.011 0.000 1.205 9 P CA -0.112 62.937 63.100 -0.085 0.000 0.771 9 P CB 0.521 32.190 31.700 -0.052 0.000 0.858 10 A N 4.716 127.538 122.820 0.004 0.000 2.546 10 A HA 0.310 4.630 4.320 0.001 0.000 0.243 10 A C -1.858 175.665 177.584 -0.101 0.000 1.063 10 A CA -0.537 51.484 52.037 -0.027 0.000 0.757 10 A CB -1.192 17.785 19.000 -0.038 0.000 0.991 10 A HN 0.410 nan 8.150 nan 0.000 0.503 11 P HA 0.216 nan 4.420 nan 0.000 0.286 11 P C -0.686 176.398 177.300 -0.359 0.000 1.261 11 P CA -0.878 61.913 63.100 -0.514 0.000 0.821 11 P CB 0.698 31.685 31.700 -1.188 0.000 1.013 12 N N 1.749 120.294 118.700 -0.257 0.000 2.416 12 N HA -0.012 4.729 4.740 0.001 0.000 0.265 12 N C 0.709 175.912 175.510 -0.512 0.000 1.195 12 N CA 0.387 53.279 53.050 -0.263 0.000 0.943 12 N CB 0.266 38.690 38.487 -0.105 0.000 1.115 12 N HN 0.263 nan 8.380 nan 0.000 0.481 13 Q N 1.987 121.371 119.800 -0.695 0.000 2.472 13 Q HA 0.015 4.355 4.340 0.001 0.000 0.208 13 Q C -0.251 175.279 176.000 -0.784 0.000 0.958 13 Q CA 0.789 55.819 55.803 -1.289 0.000 0.932 13 Q CB 0.277 28.433 28.738 -0.969 0.000 1.007 13 Q HN 0.653 nan 8.270 nan 0.000 0.508 14 Q N 1.172 120.726 119.800 -0.410 0.000 3.300 14 Q HA 0.258 4.598 4.340 0.001 0.000 0.271 14 Q C -2.504 173.411 176.000 -0.142 0.000 0.926 14 Q CA -1.478 54.191 55.803 -0.223 0.000 0.788 14 Q CB 1.382 30.020 28.738 -0.167 0.000 1.385 14 Q HN 0.095 nan 8.270 nan 0.000 0.424 15 P HA 0.035 nan 4.420 nan 0.000 0.271 15 P C -0.168 177.107 177.300 -0.042 0.000 1.218 15 P CA -0.035 63.061 63.100 -0.006 0.000 0.780 15 P CB 1.282 32.984 31.700 0.003 0.000 0.901 16 E N 0.229 120.391 120.200 -0.064 0.000 2.371 16 E HA 0.262 4.612 4.350 0.001 0.000 0.257 16 E C -0.622 175.675 176.600 -0.506 0.000 1.134 16 E CA -0.674 55.522 56.400 -0.340 0.000 0.919 16 E CB 0.836 30.224 29.700 -0.519 0.000 1.025 16 E HN 0.162 nan 8.360 nan 0.000 0.438 17 V N 3.435 123.000 119.914 -0.582 0.000 2.417 17 V HA 0.156 4.276 4.120 0.001 0.000 0.291 17 V C -0.349 175.407 176.094 -0.564 0.000 1.024 17 V CA -0.222 61.818 62.300 -0.434 0.000 0.861 17 V CB 0.999 32.694 31.823 -0.213 0.000 0.985 17 V HN 0.636 nan 8.190 nan 0.000 0.436 18 F N 1.505 121.478 119.950 0.039 0.000 2.724 18 F HA 0.326 4.853 4.527 0.001 0.000 0.306 18 F C 0.781 176.488 175.800 -0.155 0.000 1.100 18 F CA -0.360 57.629 58.000 -0.018 0.000 1.255 18 F CB 0.390 39.426 39.000 0.059 0.000 1.072 18 F HN 0.367 nan 8.300 nan 0.000 0.589 19 C N 2.045 121.315 119.300 -0.050 0.000 2.397 19 C HA 0.462 4.922 4.460 0.001 0.000 0.325 19 C C 0.324 175.129 174.990 -0.308 0.000 1.201 19 C CA -0.876 57.888 59.018 -0.424 0.000 1.377 19 C CB 0.734 28.220 27.740 -0.422 0.000 2.038 19 C HN 0.530 nan 8.230 nan 0.000 0.457 20 N N 1.253 119.740 118.700 -0.355 0.000 2.261 20 N HA 0.062 4.802 4.740 0.001 0.000 0.241 20 N C -0.456 175.005 175.510 -0.081 0.000 1.374 20 N CA -0.225 52.722 53.050 -0.171 0.000 0.802 20 N CB 0.182 38.574 38.487 -0.159 0.000 1.339 20 N HN 0.796 nan 8.380 nan 0.000 0.498 21 Q N 0.013 119.803 119.800 -0.017 0.000 2.962 21 Q HA 0.583 4.924 4.340 0.001 0.000 0.282 21 Q C -0.499 175.816 176.000 0.525 0.000 1.058 21 Q CA -0.935 55.016 55.803 0.246 0.000 0.854 21 Q CB 2.025 30.943 28.738 0.300 0.000 1.441 21 Q HN 0.129 nan 8.270 nan 0.000 0.497 22 I N 1.205 122.062 120.570 0.478 0.000 2.428 22 I HA 0.176 4.347 4.170 0.001 0.000 0.289 22 I C -0.820 175.535 176.117 0.395 0.000 1.019 22 I CA -0.140 61.390 61.300 0.384 0.000 1.351 22 I CB 0.518 38.642 38.000 0.206 0.000 1.412 22 I HN 0.379 nan 8.210 nan 0.000 0.513 23 F N 8.205 128.160 119.950 0.009 0.000 2.361 23 F HA 0.628 5.156 4.527 0.001 0.000 0.364 23 F C -0.624 175.013 175.800 -0.272 0.000 1.117 23 F CA -0.412 57.364 58.000 -0.373 0.000 1.071 23 F CB 0.445 39.061 39.000 -0.640 0.000 1.188 23 F HN 0.170 nan 8.300 nan 0.000 0.464 24 I N 5.588 125.746 120.570 -0.686 0.000 2.607 24 I HA 0.212 4.383 4.170 0.001 0.000 0.290 24 I C -0.417 175.358 176.117 -0.570 0.000 1.129 24 I CA -1.061 59.895 61.300 -0.572 0.000 1.042 24 I CB 1.865 39.522 38.000 -0.572 0.000 1.242 24 I HN 0.494 nan 8.210 nan 0.000 0.421 25 N N 4.762 123.186 118.700 -0.460 0.000 2.727 25 N HA -0.252 4.488 4.740 0.001 0.000 0.249 25 N C -0.024 175.223 175.510 -0.439 0.000 1.048 25 N CA 1.271 54.121 53.050 -0.333 0.000 0.714 25 N CB -1.054 37.327 38.487 -0.177 0.000 0.959 25 N HN 0.931 nan 8.380 nan 0.000 0.544 26 N N -1.392 116.808 118.700 -0.834 0.000 2.747 26 N HA -0.228 4.513 4.740 0.001 0.000 0.249 26 N C -1.026 174.103 175.510 -0.634 0.000 1.107 26 N CA 1.153 53.775 53.050 -0.715 0.000 0.707 26 N CB -0.374 38.014 38.487 -0.165 0.000 1.054 26 N HN 0.605 nan 8.380 nan 0.000 0.555 27 E N -0.951 118.727 120.200 -0.870 0.000 2.383 27 E HA 0.334 4.684 4.350 0.001 0.000 0.275 27 E C -1.190 175.164 176.600 -0.409 0.000 0.918 27 E CA -0.660 55.468 56.400 -0.454 0.000 0.764 27 E CB 1.226 30.810 29.700 -0.193 0.000 1.252 27 E HN 0.128 nan 8.360 nan 0.000 0.449 28 W N 1.868 123.193 121.300 0.041 0.000 2.390 28 W HA 0.337 4.998 4.660 0.001 0.000 0.312 28 W C 0.408 176.927 176.519 -0.000 0.000 1.123 28 W CA -0.264 57.161 57.345 0.134 0.000 1.202 28 W CB 0.841 30.378 29.460 0.128 0.000 1.251 28 W HN 0.282 nan 8.180 nan 0.000 0.511 29 H N 1.551 120.784 119.070 0.271 0.000 2.797 29 H HA 0.229 4.786 4.556 0.001 0.000 0.372 29 H C -0.697 174.723 175.328 0.153 0.000 1.168 29 H CA -1.032 55.105 56.048 0.148 0.000 1.163 29 H CB 2.037 31.841 29.762 0.069 0.000 1.778 29 H HN 0.222 nan 8.280 nan 0.000 0.551 30 D N 0.489 121.012 120.400 0.206 0.000 2.329 30 D HA 0.292 4.933 4.640 0.001 0.000 0.246 30 D C 0.334 176.721 176.300 0.145 0.000 1.111 30 D CA -0.407 53.680 54.000 0.144 0.000 0.941 30 D CB 1.238 42.092 40.800 0.089 0.000 1.169 30 D HN 0.599 nan 8.370 nan 0.000 0.441 31 A N 0.677 123.560 122.820 0.105 0.000 2.475 31 A HA 0.088 4.409 4.320 0.001 0.000 0.239 31 A C 1.553 179.178 177.584 0.069 0.000 1.087 31 A CA -0.375 51.709 52.037 0.078 0.000 0.779 31 A CB 0.212 19.245 19.000 0.055 0.000 1.036 31 A HN 0.404 nan 8.150 nan 0.000 0.506 32 V N 1.546 121.492 119.914 0.054 0.000 2.343 32 V HA -0.222 3.899 4.120 0.001 0.000 0.247 32 V C 2.781 178.898 176.094 0.039 0.000 1.051 32 V CA 2.700 65.028 62.300 0.047 0.000 1.036 32 V CB -0.966 30.879 31.823 0.036 0.000 0.654 32 V HN 1.138 nan 8.190 nan 0.000 0.451 33 S N -0.742 114.978 115.700 0.033 0.000 2.507 33 S HA -0.187 4.284 4.470 0.001 0.000 0.235 33 S C 1.382 176.001 174.600 0.033 0.000 0.988 33 S CA 0.567 58.785 58.200 0.029 0.000 0.944 33 S CB -0.188 63.025 63.200 0.023 0.000 0.762 33 S HN 0.506 nan 8.310 nan 0.000 0.526 34 R N -0.379 120.145 120.500 0.039 0.000 3.922 34 R HA -0.108 4.233 4.340 0.001 0.000 0.447 34 R C -0.531 175.792 176.300 0.038 0.000 1.035 34 R CA 1.377 57.501 56.100 0.040 0.000 1.289 34 R CB -2.389 27.932 30.300 0.034 0.000 1.906 34 R HN 0.601 nan 8.270 nan 0.000 0.540 35 K N 1.561 121.985 120.400 0.039 0.000 2.382 35 K HA 0.186 4.507 4.320 0.001 0.000 0.275 35 K C 0.921 177.555 176.600 0.057 0.000 1.009 35 K CA 0.882 57.196 56.287 0.046 0.000 0.970 35 K CB 0.619 33.143 32.500 0.041 0.000 0.934 35 K HN 0.311 nan 8.250 nan 0.000 0.479 36 T N -0.660 113.934 114.554 0.066 0.000 2.916 36 T HA 0.710 5.061 4.350 0.001 0.000 0.292 36 T C -0.735 174.055 174.700 0.149 0.000 1.064 36 T CA -1.019 61.115 62.100 0.056 0.000 1.011 36 T CB 0.791 69.641 68.868 -0.029 0.000 1.152 36 T HN 0.457 nan 8.240 nan 0.000 0.510 37 F N -0.914 119.056 119.950 0.033 0.000 2.588 37 F HA 0.875 5.402 4.527 0.001 0.000 0.314 37 F C -3.149 172.705 175.800 0.090 0.000 1.069 37 F CA -3.006 55.057 58.000 0.105 0.000 0.931 37 F CB 1.422 40.550 39.000 0.214 0.000 1.260 37 F HN 0.403 nan 8.300 nan 0.000 0.465 38 P HA 0.207 nan 4.420 nan 0.000 0.290 38 P C -0.919 176.461 177.300 0.133 0.000 1.276 38 P CA -0.163 62.969 63.100 0.052 0.000 0.808 38 P CB 1.879 33.630 31.700 0.085 0.000 0.966 39 T N 2.057 116.620 114.554 0.015 0.000 2.797 39 T HA 0.429 4.779 4.350 0.001 0.000 0.279 39 T C -0.472 174.249 174.700 0.036 0.000 0.991 39 T CA -0.506 61.639 62.100 0.076 0.000 0.979 39 T CB 0.398 69.294 68.868 0.046 0.000 0.943 39 T HN 0.059 nan 8.240 nan 0.000 0.444 40 V N 5.125 125.066 119.914 0.046 0.000 2.713 40 V HA 0.474 4.595 4.120 0.001 0.000 0.307 40 V C 0.414 176.516 176.094 0.013 0.000 1.052 40 V CA -1.139 61.178 62.300 0.029 0.000 0.967 40 V CB 1.811 33.667 31.823 0.056 0.000 1.019 40 V HN 0.871 nan 8.190 nan 0.000 0.459 41 N N 4.748 123.445 118.700 -0.005 0.000 2.406 41 N HA 0.252 4.993 4.740 0.001 0.000 0.251 41 N C -1.554 173.927 175.510 -0.049 0.000 1.069 41 N CA -2.100 50.940 53.050 -0.018 0.000 0.947 41 N CB 1.640 40.119 38.487 -0.013 0.000 1.111 41 N HN 0.289 nan 8.380 nan 0.000 0.497 42 P HA -0.041 nan 4.420 nan 0.000 0.225 42 P C 0.605 177.727 177.300 -0.297 0.000 1.148 42 P CA 0.827 63.890 63.100 -0.061 0.000 0.779 42 P CB 0.372 32.057 31.700 -0.026 0.000 0.780 43 S N -0.889 114.707 115.700 -0.173 0.000 2.489 43 S HA -0.024 4.447 4.470 0.001 0.000 0.228 43 S C 1.686 176.299 174.600 0.022 0.000 0.995 43 S CA 1.649 59.825 58.200 -0.040 0.000 0.934 43 S CB -0.547 62.727 63.200 0.123 0.000 0.771 43 S HN 0.448 nan 8.310 nan 0.000 0.522 44 T N -3.830 110.660 114.554 -0.107 0.000 2.992 44 T HA 0.455 4.805 4.350 0.001 0.000 0.255 44 T C 1.445 176.024 174.700 -0.201 0.000 0.938 44 T CA 0.754 62.791 62.100 -0.106 0.000 0.895 44 T CB 0.288 69.125 68.868 -0.052 0.000 1.221 44 T HN 0.466 nan 8.240 nan 0.000 0.512 45 G N 1.762 110.402 108.800 -0.268 0.000 2.159 45 G HA2 -0.197 3.763 3.960 0.001 0.000 0.256 45 G HA3 -0.197 3.763 3.960 0.001 0.000 0.256 45 G C -0.224 174.618 174.900 -0.096 0.000 0.977 45 G CA 0.155 45.103 45.100 -0.254 0.000 0.652 45 G HN 0.633 nan 8.290 nan 0.000 0.531 46 E N 0.077 120.232 120.200 -0.075 0.000 2.277 46 E HA 0.489 4.840 4.350 0.001 0.000 0.274 46 E C 0.606 177.191 176.600 -0.026 0.000 1.022 46 E CA -0.730 55.644 56.400 -0.043 0.000 0.853 46 E CB 2.057 31.731 29.700 -0.043 0.000 1.086 46 E HN 0.114 nan 8.360 nan 0.000 0.397 47 V N 3.919 123.822 119.914 -0.017 0.000 2.585 47 V HA -0.022 4.099 4.120 0.001 0.000 0.296 47 V C 1.692 177.770 176.094 -0.027 0.000 1.035 47 V CA 0.417 62.709 62.300 -0.013 0.000 1.084 47 V CB 0.278 32.096 31.823 -0.008 0.000 0.953 47 V HN 0.625 nan 8.190 nan 0.000 0.483 48 I N 3.878 124.429 120.570 -0.030 0.000 2.296 48 I HA 0.052 4.223 4.170 0.001 0.000 0.242 48 I C 0.965 177.044 176.117 -0.063 0.000 1.087 48 I CA 1.278 62.550 61.300 -0.045 0.000 1.393 48 I CB 0.212 38.187 38.000 -0.042 0.000 1.093 48 I HN 0.881 nan 8.210 nan 0.000 0.421 49 C N -2.197 117.060 119.300 -0.072 0.000 3.211 49 C HA 0.397 4.858 4.460 0.001 0.000 0.350 49 C C -1.348 173.568 174.990 -0.122 0.000 1.413 49 C CA -1.200 57.762 59.018 -0.093 0.000 1.203 49 C CB 1.176 28.851 27.740 -0.109 0.000 1.506 49 C HN 0.139 nan 8.230 nan 0.000 0.448 50 Q N 0.519 120.237 119.800 -0.136 0.000 2.227 50 Q HA 0.753 5.094 4.340 0.001 0.000 0.245 50 Q C -0.675 175.154 176.000 -0.284 0.000 0.926 50 Q CA -0.248 55.442 55.803 -0.189 0.000 0.895 50 Q CB 1.856 30.525 28.738 -0.116 0.000 1.230 50 Q HN 0.771 nan 8.270 nan 0.000 0.450 51 V N 0.682 120.295 119.914 -0.502 0.000 2.638 51 V HA 0.482 4.602 4.120 0.001 0.000 0.306 51 V C -0.329 175.535 176.094 -0.385 0.000 1.052 51 V CA -1.302 60.675 62.300 -0.539 0.000 0.885 51 V CB 1.761 33.050 31.823 -0.890 0.000 0.999 51 V HN 0.896 nan 8.190 nan 0.000 0.424 52 A N 2.933 125.693 122.820 -0.100 0.000 2.567 52 A HA 0.158 4.479 4.320 0.001 0.000 0.240 52 A C 0.445 178.125 177.584 0.160 0.000 1.053 52 A CA 0.365 52.427 52.037 0.042 0.000 0.755 52 A CB -0.065 18.996 19.000 0.100 0.000 0.978 52 A HN 0.944 nan 8.150 nan 0.000 0.507 53 E N 3.055 123.351 120.200 0.161 0.000 1.998 53 E HA 0.373 4.724 4.350 0.001 0.000 0.257 53 E C 0.648 177.231 176.600 -0.028 0.000 1.038 53 E CA -0.307 56.158 56.400 0.108 0.000 0.869 53 E CB 0.085 29.771 29.700 -0.023 0.000 1.135 53 E HN 0.826 nan 8.360 nan 0.000 0.430 54 G N 3.243 112.049 108.800 0.009 0.000 2.432 54 G HA2 0.026 3.987 3.960 0.001 0.000 0.239 54 G HA3 0.026 3.987 3.960 0.001 0.000 0.239 54 G C -0.325 174.543 174.900 -0.052 0.000 1.291 54 G CA -0.165 44.935 45.100 0.001 0.000 0.863 54 G HN 0.569 nan 8.290 nan 0.000 0.560 55 D N -0.018 120.369 120.400 -0.022 0.000 2.636 55 D HA 0.177 4.817 4.640 0.001 0.000 0.275 55 D C 1.393 177.699 176.300 0.010 0.000 1.130 55 D CA -0.788 53.203 54.000 -0.016 0.000 1.031 55 D CB 1.775 42.563 40.800 -0.018 0.000 1.451 55 D HN 0.341 nan 8.370 nan 0.000 0.505 56 K N 0.676 121.087 120.400 0.019 0.000 2.148 56 K HA -0.259 4.062 4.320 0.001 0.000 0.213 56 K C 1.200 177.823 176.600 0.038 0.000 1.050 56 K CA 2.101 58.409 56.287 0.034 0.000 0.932 56 K CB 0.003 32.516 32.500 0.023 0.000 0.717 56 K HN 0.368 nan 8.250 nan 0.000 0.462 57 E N 0.182 120.396 120.200 0.024 0.000 2.150 57 E HA -0.166 4.184 4.350 0.001 0.000 0.193 57 E C 1.596 178.207 176.600 0.020 0.000 0.985 57 E CA 1.346 57.760 56.400 0.024 0.000 0.814 57 E CB -0.075 29.636 29.700 0.019 0.000 0.752 57 E HN 0.567 nan 8.360 nan 0.000 0.466 58 D N 0.469 120.877 120.400 0.014 0.000 2.234 58 D HA -0.072 4.568 4.640 0.001 0.000 0.205 58 D C 2.088 178.382 176.300 -0.011 0.000 0.962 58 D CA 0.526 54.524 54.000 -0.004 0.000 0.855 58 D CB 0.208 41.012 40.800 0.007 0.000 0.951 58 D HN 0.037 nan 8.370 nan 0.000 0.500 59 V N 1.989 121.913 119.914 0.017 0.000 2.358 59 V HA -0.197 3.923 4.120 0.001 0.000 0.246 59 V C 1.900 178.013 176.094 0.030 0.000 1.047 59 V CA 1.623 63.937 62.300 0.023 0.000 1.035 59 V CB -0.342 31.520 31.823 0.065 0.000 0.658 59 V HN 0.012 nan 8.190 nan 0.000 0.452 60 D N 0.111 120.565 120.400 0.090 0.000 2.117 60 D HA -0.157 4.484 4.640 0.001 0.000 0.197 60 D C 2.234 178.558 176.300 0.040 0.000 0.987 60 D CA 1.185 55.270 54.000 0.142 0.000 0.829 60 D CB -0.212 40.662 40.800 0.123 0.000 0.961 60 D HN 0.412 nan 8.370 nan 0.000 0.460 61 K N 0.499 120.894 120.400 -0.008 0.000 2.057 61 K HA -0.045 4.276 4.320 0.001 0.000 0.207 61 K C 2.118 178.661 176.600 -0.096 0.000 1.049 61 K CA 1.116 57.369 56.287 -0.058 0.000 0.931 61 K CB -0.057 32.384 32.500 -0.099 0.000 0.714 61 K HN 0.038 nan 8.250 nan 0.000 0.440 62 A N 0.920 123.680 122.820 -0.100 0.000 1.898 62 A HA -0.104 4.216 4.320 0.001 0.000 0.216 62 A C 2.356 179.868 177.584 -0.121 0.000 1.181 62 A CA 1.281 53.248 52.037 -0.117 0.000 0.620 62 A CB -0.564 18.381 19.000 -0.091 0.000 0.819 62 A HN 0.066 nan 8.150 nan 0.000 0.442 63 V N 0.208 120.032 119.914 -0.151 0.000 2.358 63 V HA -0.244 3.877 4.120 0.001 0.000 0.246 63 V C 2.440 178.464 176.094 -0.117 0.000 1.047 63 V CA 2.220 64.387 62.300 -0.222 0.000 1.035 63 V CB -0.635 30.852 31.823 -0.560 0.000 0.658 63 V HN 0.526 nan 8.190 nan 0.000 0.452 64 K N 0.250 120.616 120.400 -0.057 0.000 2.032 64 K HA -0.203 4.118 4.320 0.001 0.000 0.209 64 K C 2.328 178.913 176.600 -0.024 0.000 1.048 64 K CA 1.635 57.913 56.287 -0.015 0.000 0.927 64 K CB -0.476 32.024 32.500 0.001 0.000 0.712 64 K HN 0.476 nan 8.250 nan 0.000 0.441 65 A N 1.611 124.398 122.820 -0.055 0.000 1.865 65 A HA -0.181 4.139 4.320 0.001 0.000 0.217 65 A C 2.419 179.979 177.584 -0.040 0.000 1.191 65 A CA 2.120 54.120 52.037 -0.061 0.000 0.623 65 A CB -0.881 18.052 19.000 -0.113 0.000 0.826 65 A HN 0.367 nan 8.150 nan 0.000 0.444 66 A N -0.409 122.377 122.820 -0.056 0.000 1.883 66 A HA -0.194 4.127 4.320 0.001 0.000 0.217 66 A C 2.185 179.791 177.584 0.037 0.000 1.186 66 A CA 2.348 54.364 52.037 -0.035 0.000 0.624 66 A CB -0.500 18.454 19.000 -0.077 0.000 0.822 66 A HN 0.472 nan 8.150 nan 0.000 0.444 67 R N 0.273 120.787 120.500 0.024 0.000 2.091 67 R HA -0.092 4.248 4.340 0.001 0.000 0.238 67 R C 2.117 178.500 176.300 0.137 0.000 1.136 67 R CA 2.105 58.258 56.100 0.089 0.000 0.959 67 R CB -0.986 29.346 30.300 0.054 0.000 0.856 67 R HN 0.416 nan 8.270 nan 0.000 0.437 68 A N -0.066 122.805 122.820 0.084 0.000 1.933 68 A HA 0.009 4.330 4.320 0.001 0.000 0.218 68 A C 2.284 179.932 177.584 0.108 0.000 1.175 68 A CA 1.665 53.750 52.037 0.080 0.000 0.628 68 A CB -0.887 18.139 19.000 0.042 0.000 0.814 68 A HN 0.474 nan 8.150 nan 0.000 0.444 69 A N -2.287 120.604 122.820 0.119 0.000 2.119 69 A HA 0.147 4.468 4.320 0.001 0.000 0.217 69 A C 1.678 179.432 177.584 0.284 0.000 1.153 69 A CA 1.067 53.195 52.037 0.151 0.000 0.692 69 A CB -0.500 18.544 19.000 0.074 0.000 0.799 69 A HN 0.566 nan 8.150 nan 0.000 0.458 70 F N 0.240 120.266 119.950 0.126 0.000 2.727 70 F HA 0.209 4.736 4.527 0.000 0.000 0.302 70 F C 0.714 176.588 175.800 0.123 0.000 1.097 70 F CA -0.231 57.871 58.000 0.169 0.000 1.330 70 F CB 0.174 39.256 39.000 0.137 0.000 1.084 70 F HN 0.083 nan 8.300 nan 0.000 0.578 71 Q N 1.599 121.460 119.800 0.102 0.000 2.361 71 Q HA 0.016 4.357 4.340 0.001 0.000 0.276 71 Q C -0.241 175.723 176.000 -0.060 0.000 1.022 71 Q CA -0.125 55.693 55.803 0.025 0.000 0.898 71 Q CB 0.741 29.512 28.738 0.055 0.000 1.246 71 Q HN 0.201 nan 8.270 nan 0.000 0.410 72 L N 1.935 123.112 121.223 -0.077 0.000 2.628 72 L HA 0.089 4.430 4.340 0.001 0.000 0.274 72 L C 1.248 178.092 176.870 -0.042 0.000 1.209 72 L CA 2.197 56.987 54.840 -0.084 0.000 0.930 72 L CB -0.142 41.883 42.059 -0.056 0.000 1.183 72 L HN 0.932 nan 8.230 nan 0.000 0.492 73 G N 1.854 110.626 108.800 -0.045 0.000 2.195 73 G HA2 -0.257 3.703 3.960 0.001 0.000 0.224 73 G HA3 -0.257 3.703 3.960 0.001 0.000 0.224 73 G C 0.349 175.250 174.900 0.001 0.000 0.990 73 G CA 0.233 45.322 45.100 -0.019 0.000 0.639 73 G HN 1.072 nan 8.290 nan 0.000 0.514 74 S N 0.720 116.428 115.700 0.013 0.000 2.589 74 S HA 0.507 4.978 4.470 0.001 0.000 0.265 74 S C -0.622 174.026 174.600 0.081 0.000 1.342 74 S CA -0.104 58.131 58.200 0.060 0.000 1.005 74 S CB 1.715 64.974 63.200 0.098 0.000 0.909 74 S HN 0.021 nan 8.310 nan 0.000 0.555 75 P HA -0.097 nan 4.420 nan 0.000 0.216 75 P C 1.250 178.677 177.300 0.212 0.000 1.150 75 P CA 1.167 64.347 63.100 0.134 0.000 0.837 75 P CB -0.087 31.700 31.700 0.146 0.000 0.786 76 W N 0.263 121.593 121.300 0.050 0.000 2.409 76 W HA -0.117 4.543 4.660 0.001 0.000 0.299 76 W C 1.707 178.252 176.519 0.043 0.000 1.203 76 W CA 0.644 58.036 57.345 0.078 0.000 1.298 76 W CB -0.119 29.415 29.460 0.122 0.000 1.127 76 W HN -0.169 nan 8.180 nan 0.000 0.528 77 R N 0.435 120.936 120.500 0.002 0.000 2.115 77 R HA -0.059 4.281 4.340 0.001 0.000 0.226 77 R C 2.053 178.261 176.300 -0.153 0.000 1.100 77 R CA 0.996 56.992 56.100 -0.174 0.000 0.980 77 R CB -0.642 29.544 30.300 -0.190 0.000 0.875 77 R HN 0.326 nan 8.270 nan 0.000 0.445 78 R N -0.284 120.167 120.500 -0.081 0.000 2.200 78 R HA 0.160 4.501 4.340 0.001 0.000 0.208 78 R C 1.125 177.377 176.300 -0.080 0.000 1.033 78 R CA -0.181 55.878 56.100 -0.068 0.000 1.000 78 R CB -0.018 30.262 30.300 -0.033 0.000 0.906 78 R HN 0.109 nan 8.270 nan 0.000 0.462 79 M N 2.226 121.771 119.600 -0.091 0.000 2.248 79 M HA -0.068 4.413 4.480 0.001 0.000 0.343 79 M C -0.683 175.557 176.300 -0.100 0.000 1.243 79 M CA 0.465 55.717 55.300 -0.080 0.000 1.025 79 M CB 0.502 33.067 32.600 -0.059 0.000 1.759 79 M HN -0.062 nan 8.290 nan 0.000 0.452 80 D N 3.912 124.280 120.400 -0.052 0.000 2.455 80 D HA 0.075 4.715 4.640 0.001 0.000 0.241 80 D C 0.811 177.096 176.300 -0.024 0.000 1.138 80 D CA 0.520 54.502 54.000 -0.031 0.000 0.877 80 D CB 1.076 41.872 40.800 -0.007 0.000 1.187 80 D HN 0.763 nan 8.370 nan 0.000 0.451 81 A N 2.587 125.384 122.820 -0.037 0.000 1.908 81 A HA -0.237 4.084 4.320 0.001 0.000 0.218 81 A C 2.160 179.747 177.584 0.006 0.000 1.181 81 A CA 2.307 54.324 52.037 -0.034 0.000 0.627 81 A CB -0.695 18.302 19.000 -0.004 0.000 0.818 81 A HN 0.620 nan 8.150 nan 0.000 0.445 82 S N -0.958 114.759 115.700 0.027 0.000 2.400 82 S HA -0.305 4.166 4.470 0.001 0.000 0.232 82 S C 1.880 176.514 174.600 0.056 0.000 1.025 82 S CA 1.846 60.070 58.200 0.039 0.000 0.993 82 S CB -0.740 62.484 63.200 0.040 0.000 0.808 82 S HN 0.749 nan 8.310 nan 0.000 0.478 83 H N 1.717 120.766 119.070 -0.036 0.000 2.395 83 H HA 0.214 4.770 4.556 0.001 0.000 0.299 83 H C 2.292 177.599 175.328 -0.035 0.000 1.070 83 H CA 1.495 57.521 56.048 -0.037 0.000 1.356 83 H CB -0.118 29.617 29.762 -0.044 0.000 1.401 83 H HN 0.388 nan 8.280 nan 0.000 0.524 84 R N -0.659 119.816 120.500 -0.041 0.000 2.127 84 R HA -0.082 4.258 4.340 0.001 0.000 0.238 84 R C 2.474 178.787 176.300 0.022 0.000 1.134 84 R CA 1.039 57.130 56.100 -0.016 0.000 0.975 84 R CB -0.438 29.831 30.300 -0.052 0.000 0.865 84 R HN 0.411 nan 8.270 nan 0.000 0.447 85 G N 1.127 109.931 108.800 0.007 0.000 2.402 85 G HA2 -0.214 3.746 3.960 0.001 0.000 0.216 85 G HA3 -0.214 3.746 3.960 0.001 0.000 0.216 85 G C 1.436 176.323 174.900 -0.021 0.000 1.162 85 G CA 0.106 45.222 45.100 0.027 0.000 0.777 85 G HN 0.101 nan 8.290 nan 0.000 0.539 86 R N 0.300 120.739 120.500 -0.102 0.000 2.073 86 R HA 0.066 4.407 4.340 0.001 0.000 0.234 86 R C 2.637 178.822 176.300 -0.191 0.000 1.134 86 R CA 0.585 56.597 56.100 -0.146 0.000 0.952 86 R CB -1.210 28.964 30.300 -0.210 0.000 0.850 86 R HN 0.393 nan 8.270 nan 0.000 0.433 87 L N 0.484 121.506 121.223 -0.335 0.000 2.042 87 L HA -0.182 4.159 4.340 0.001 0.000 0.210 87 L C 2.500 179.325 176.870 -0.075 0.000 1.076 87 L CA 1.175 55.754 54.840 -0.434 0.000 0.749 87 L CB -0.482 41.028 42.059 -0.916 0.000 0.893 87 L HN 0.127 nan 8.230 nan 0.000 0.432 88 L N -0.490 120.807 121.223 0.123 0.000 2.093 88 L HA -0.205 4.136 4.340 0.001 0.000 0.208 88 L C 2.390 179.361 176.870 0.169 0.000 1.085 88 L CA 0.995 55.998 54.840 0.272 0.000 0.755 88 L CB -0.536 41.677 42.059 0.257 0.000 0.904 88 L HN 0.357 nan 8.230 nan 0.000 0.435 89 N N -0.208 118.547 118.700 0.091 0.000 2.188 89 N HA -0.187 4.554 4.740 0.001 0.000 0.184 89 N C 1.949 177.499 175.510 0.066 0.000 1.018 89 N CA 0.865 53.956 53.050 0.069 0.000 0.858 89 N CB -0.190 38.318 38.487 0.035 0.000 0.989 89 N HN 0.152 nan 8.380 nan 0.000 0.426 90 R N 1.607 122.135 120.500 0.046 0.000 2.070 90 R HA -0.036 4.305 4.340 0.001 0.000 0.233 90 R C 2.088 178.447 176.300 0.098 0.000 1.137 90 R CA 0.925 57.054 56.100 0.048 0.000 0.945 90 R CB -1.148 29.152 30.300 0.001 0.000 0.845 90 R HN 0.179 nan 8.270 nan 0.000 0.430 91 L N 0.452 121.772 121.223 0.161 0.000 2.012 91 L HA -0.067 4.273 4.340 0.001 0.000 0.210 91 L C 2.132 179.082 176.870 0.134 0.000 1.073 91 L CA 2.394 57.345 54.840 0.185 0.000 0.748 91 L CB -1.180 41.041 42.059 0.271 0.000 0.891 91 L HN 0.290 nan 8.230 nan 0.000 0.431 92 A N -0.835 122.062 122.820 0.128 0.000 1.883 92 A HA -0.253 4.068 4.320 0.001 0.000 0.217 92 A C 2.028 179.668 177.584 0.092 0.000 1.186 92 A CA 1.986 54.088 52.037 0.108 0.000 0.624 92 A CB -0.973 18.090 19.000 0.105 0.000 0.822 92 A HN 0.541 nan 8.150 nan 0.000 0.444 93 D N -0.034 120.416 120.400 0.084 0.000 2.123 93 D HA -0.129 4.512 4.640 0.001 0.000 0.196 93 D C 1.911 178.261 176.300 0.084 0.000 0.992 93 D CA 1.068 55.112 54.000 0.074 0.000 0.833 93 D CB -0.333 40.504 40.800 0.062 0.000 0.954 93 D HN 0.470 nan 8.370 nan 0.000 0.455 94 L N 0.180 121.459 121.223 0.093 0.000 2.093 94 L HA -0.092 4.248 4.340 0.001 0.000 0.208 94 L C 2.470 179.420 176.870 0.134 0.000 1.085 94 L CA 0.620 55.522 54.840 0.104 0.000 0.755 94 L CB -0.214 41.901 42.059 0.095 0.000 0.904 94 L HN 0.029 nan 8.230 nan 0.000 0.435 95 I N -0.308 120.341 120.570 0.132 0.000 2.315 95 I HA -0.276 3.894 4.170 0.001 0.000 0.248 95 I C 2.569 178.764 176.117 0.130 0.000 1.117 95 I CA 1.199 62.590 61.300 0.152 0.000 1.404 95 I CB -0.189 37.886 38.000 0.126 0.000 1.071 95 I HN 0.318 nan 8.210 nan 0.000 0.419 96 E N 1.203 121.462 120.200 0.098 0.000 2.110 96 E HA -0.276 4.075 4.350 0.001 0.000 0.193 96 E C 2.369 179.031 176.600 0.103 0.000 0.988 96 E CA 0.980 57.426 56.400 0.077 0.000 0.804 96 E CB 0.008 29.745 29.700 0.061 0.000 0.745 96 E HN 0.272 nan 8.360 nan 0.000 0.458 97 R N 0.357 120.926 120.500 0.115 0.000 2.091 97 R HA -0.138 4.202 4.340 0.001 0.000 0.238 97 R C 0.422 176.815 176.300 0.155 0.000 1.136 97 R CA 1.837 58.010 56.100 0.121 0.000 0.959 97 R CB 0.042 30.408 30.300 0.110 0.000 0.856 97 R HN 0.115 nan 8.270 nan 0.000 0.437 98 D N -0.310 120.207 120.400 0.196 0.000 2.460 98 D HA 0.026 4.667 4.640 0.001 0.000 0.229 98 D C 1.046 177.502 176.300 0.260 0.000 1.170 98 D CA -0.003 54.149 54.000 0.253 0.000 0.827 98 D CB 0.238 41.255 40.800 0.361 0.000 0.973 98 D HN 0.238 nan 8.370 nan 0.000 0.496 99 R N 0.270 120.894 120.500 0.205 0.000 2.081 99 R HA -0.108 4.233 4.340 0.001 0.000 0.235 99 R C 1.409 177.882 176.300 0.289 0.000 1.131 99 R CA 1.376 57.571 56.100 0.159 0.000 0.960 99 R CB 0.033 30.354 30.300 0.035 0.000 0.856 99 R HN -0.018 nan 8.270 nan 0.000 0.436 100 T N 0.068 114.861 114.554 0.399 0.000 2.746 100 T HA -0.200 4.151 4.350 0.001 0.000 0.267 100 T C 1.345 176.276 174.700 0.384 0.000 1.039 100 T CA 1.566 63.950 62.100 0.473 0.000 1.142 100 T CB -0.478 68.599 68.868 0.349 0.000 0.866 100 T HN 0.392 nan 8.240 nan 0.000 0.444 101 Y N 1.688 122.093 120.300 0.175 0.000 2.114 101 Y HA -0.031 4.519 4.550 0.001 0.000 0.284 101 Y C 2.008 177.952 175.900 0.073 0.000 1.143 101 Y CA 1.065 59.217 58.100 0.086 0.000 1.135 101 Y CB -0.621 37.834 38.460 -0.008 0.000 0.980 101 Y HN 0.098 nan 8.280 nan 0.000 0.499 102 L N -0.108 121.063 121.223 -0.087 0.000 2.083 102 L HA -0.202 4.138 4.340 0.001 0.000 0.209 102 L C 2.786 179.624 176.870 -0.053 0.000 1.083 102 L CA 1.162 55.904 54.840 -0.164 0.000 0.752 102 L CB -0.907 41.186 42.059 0.056 0.000 0.899 102 L HN 0.378 nan 8.230 nan 0.000 0.433 103 A N -0.118 122.764 122.820 0.103 0.000 1.902 103 A HA -0.195 4.126 4.320 0.001 0.000 0.217 103 A C 2.496 180.247 177.584 0.278 0.000 1.181 103 A CA 1.834 53.977 52.037 0.176 0.000 0.623 103 A CB -0.698 18.466 19.000 0.274 0.000 0.818 103 A HN 0.412 nan 8.150 nan 0.000 0.443 104 A N -0.714 122.319 122.820 0.354 0.000 1.897 104 A HA 0.048 4.369 4.320 0.001 0.000 0.215 104 A C 2.106 179.787 177.584 0.163 0.000 1.181 104 A CA 1.582 53.843 52.037 0.374 0.000 0.620 104 A CB -0.593 18.543 19.000 0.226 0.000 0.821 104 A HN 0.661 nan 8.150 nan 0.000 0.443 105 L N 0.084 121.234 121.223 -0.121 0.000 2.083 105 L HA -0.148 4.192 4.340 0.001 0.000 0.209 105 L C 2.205 179.031 176.870 -0.074 0.000 1.083 105 L CA 2.720 57.445 54.840 -0.191 0.000 0.752 105 L CB -0.635 41.137 42.059 -0.479 0.000 0.899 105 L HN 0.514 nan 8.230 nan 0.000 0.433 106 E N -1.130 119.038 120.200 -0.054 0.000 2.077 106 E HA -0.194 4.156 4.350 0.001 0.000 0.193 106 E C 2.010 178.579 176.600 -0.051 0.000 0.989 106 E CA 1.953 58.332 56.400 -0.034 0.000 0.800 106 E CB -0.280 29.407 29.700 -0.021 0.000 0.746 106 E HN 0.507 nan 8.360 nan 0.000 0.452 107 T N 0.576 115.093 114.554 -0.061 0.000 2.777 107 T HA -0.124 4.226 4.350 0.001 0.000 0.266 107 T C 1.685 176.302 174.700 -0.138 0.000 1.040 107 T CA 1.106 63.090 62.100 -0.192 0.000 1.141 107 T CB -0.305 68.279 68.868 -0.475 0.000 0.868 107 T HN 0.113 nan 8.240 nan 0.000 0.444 108 L N 1.185 122.419 121.223 0.019 0.000 2.046 108 L HA -0.065 4.275 4.340 0.001 0.000 0.208 108 L C 2.025 178.904 176.870 0.014 0.000 1.077 108 L CA 1.847 56.744 54.840 0.096 0.000 0.747 108 L CB -0.367 41.769 42.059 0.128 0.000 0.896 108 L HN 0.075 nan 8.230 nan 0.000 0.432 109 D N -1.678 118.717 120.400 -0.008 0.000 2.240 109 D HA -0.131 4.510 4.640 0.001 0.000 0.206 109 D C 1.875 178.163 176.300 -0.021 0.000 0.963 109 D CA 0.720 54.715 54.000 -0.008 0.000 0.863 109 D CB 0.071 40.872 40.800 0.002 0.000 0.973 109 D HN 0.416 nan 8.370 nan 0.000 0.501 110 N N -0.815 117.860 118.700 -0.042 0.000 2.482 110 N HA 0.001 4.742 4.740 0.001 0.000 0.179 110 N C 1.370 176.818 175.510 -0.102 0.000 1.039 110 N CA 1.615 54.631 53.050 -0.056 0.000 0.884 110 N CB 0.987 39.443 38.487 -0.052 0.000 1.113 110 N HN 0.237 nan 8.380 nan 0.000 0.440 111 G N 1.440 110.163 108.800 -0.128 0.000 2.253 111 G HA2 -0.243 3.717 3.960 0.001 0.000 0.209 111 G HA3 -0.243 3.717 3.960 0.001 0.000 0.209 111 G C -0.090 174.702 174.900 -0.180 0.000 0.997 111 G CA 0.301 45.304 45.100 -0.162 0.000 0.640 111 G HN 0.681 nan 8.290 nan 0.000 0.496 112 K N 1.346 121.631 120.400 -0.191 0.000 2.414 112 K HA 0.443 4.764 4.320 0.001 0.000 0.272 112 K C -2.613 173.875 176.600 -0.186 0.000 0.993 112 K CA -1.095 55.068 56.287 -0.207 0.000 0.964 112 K CB 0.462 32.812 32.500 -0.249 0.000 0.925 112 K HN 0.078 nan 8.250 nan 0.000 0.487 113 P HA -0.130 nan 4.420 nan 0.000 0.262 113 P C -0.268 176.979 177.300 -0.089 0.000 1.182 113 P CA 0.040 63.079 63.100 -0.101 0.000 0.761 113 P CB 0.124 31.797 31.700 -0.044 0.000 0.795 114 Y N 4.871 125.029 120.300 -0.238 0.000 2.165 114 Y HA -0.261 4.289 4.550 0.001 0.000 0.286 114 Y C 1.867 177.777 175.900 0.017 0.000 1.155 114 Y CA 1.778 59.785 58.100 -0.154 0.000 1.164 114 Y CB -0.944 37.433 38.460 -0.138 0.000 0.978 114 Y HN 0.080 nan 8.280 nan 0.000 0.513 115 V N 0.633 120.475 119.914 -0.119 0.000 2.380 115 V HA -0.341 3.780 4.120 0.001 0.000 0.251 115 V C 2.349 178.400 176.094 -0.073 0.000 1.063 115 V CA 1.827 64.038 62.300 -0.147 0.000 1.055 115 V CB -0.658 31.172 31.823 0.010 0.000 0.657 115 V HN 0.474 nan 8.190 nan 0.000 0.455 116 I N -0.470 120.082 120.570 -0.030 0.000 2.333 116 I HA -0.109 4.062 4.170 0.001 0.000 0.246 116 I C 2.580 178.708 176.117 0.018 0.000 1.106 116 I CA 1.287 62.611 61.300 0.040 0.000 1.411 116 I CB -1.416 36.609 38.000 0.041 0.000 1.082 116 I HN 0.264 nan 8.210 nan 0.000 0.420 117 S N 0.421 116.092 115.700 -0.048 0.000 2.365 117 S HA -0.263 4.208 4.470 0.001 0.000 0.225 117 S C 2.048 176.623 174.600 -0.042 0.000 1.039 117 S CA 1.717 59.894 58.200 -0.039 0.000 1.033 117 S CB -0.562 62.614 63.200 -0.040 0.000 0.887 117 S HN 0.471 nan 8.310 nan 0.000 0.447 118 Y N 1.303 121.449 120.300 -0.257 0.000 2.153 118 Y HA 0.076 4.627 4.550 0.001 0.000 0.289 118 Y C 1.921 177.760 175.900 -0.102 0.000 1.127 118 Y CA 1.319 59.278 58.100 -0.236 0.000 1.131 118 Y CB -0.160 38.011 38.460 -0.482 0.000 0.995 118 Y HN 0.119 nan 8.280 nan 0.000 0.505 119 L N -1.346 119.924 121.223 0.077 0.000 2.341 119 L HA -0.051 4.290 4.340 0.001 0.000 0.214 119 L C 1.593 178.486 176.870 0.038 0.000 1.115 119 L CA 0.262 55.145 54.840 0.071 0.000 0.820 119 L CB -0.045 42.091 42.059 0.129 0.000 0.944 119 L HN 0.158 nan 8.230 nan 0.000 0.452 120 V N -1.141 118.812 119.914 0.064 0.000 2.868 120 V HA -0.039 4.081 4.120 0.001 0.000 0.227 120 V C 1.638 177.775 176.094 0.072 0.000 1.136 120 V CA 0.858 63.223 62.300 0.108 0.000 1.206 120 V CB -0.354 31.617 31.823 0.245 0.000 0.997 120 V HN 0.159 nan 8.190 nan 0.000 0.505 121 D N 0.833 121.284 120.400 0.085 0.000 2.106 121 D HA -0.165 4.475 4.640 0.001 0.000 0.191 121 D C 2.102 178.406 176.300 0.007 0.000 0.997 121 D CA 1.268 55.304 54.000 0.061 0.000 0.834 121 D CB -0.235 40.609 40.800 0.073 0.000 0.956 121 D HN 0.093 nan 8.370 nan 0.000 0.448 122 L N 0.595 121.795 121.223 -0.039 0.000 2.046 122 L HA -0.155 4.185 4.340 0.001 0.000 0.208 122 L C 1.951 178.784 176.870 -0.062 0.000 1.077 122 L CA 1.593 56.390 54.840 -0.071 0.000 0.747 122 L CB -0.947 41.008 42.059 -0.172 0.000 0.896 122 L HN 0.078 nan 8.230 nan 0.000 0.432 123 D N -0.441 119.914 120.400 -0.075 0.000 2.117 123 D HA -0.209 4.432 4.640 0.001 0.000 0.197 123 D C 2.344 178.656 176.300 0.020 0.000 0.987 123 D CA 1.273 55.251 54.000 -0.036 0.000 0.829 123 D CB 0.119 40.902 40.800 -0.028 0.000 0.961 123 D HN 0.190 nan 8.370 nan 0.000 0.460 124 M N -0.793 118.829 119.600 0.036 0.000 2.200 124 M HA -0.088 4.393 4.480 0.001 0.000 0.265 124 M C 2.197 178.566 176.300 0.115 0.000 1.066 124 M CA 0.508 55.855 55.300 0.079 0.000 1.127 124 M CB 0.077 32.717 32.600 0.066 0.000 1.379 124 M HN -0.048 nan 8.290 nan 0.000 0.420 125 V N 1.053 121.014 119.914 0.079 0.000 2.295 125 V HA -0.268 3.852 4.120 0.001 0.000 0.246 125 V C 2.308 178.473 176.094 0.117 0.000 1.049 125 V CA 1.722 64.082 62.300 0.101 0.000 1.024 125 V CB -0.583 31.276 31.823 0.061 0.000 0.648 125 V HN 0.446 nan 8.190 nan 0.000 0.447 126 L N -0.588 120.684 121.223 0.081 0.000 2.017 126 L HA -0.220 4.120 4.340 0.001 0.000 0.208 126 L C 2.601 179.533 176.870 0.104 0.000 1.073 126 L CA 1.830 56.719 54.840 0.082 0.000 0.745 126 L CB -0.626 41.460 42.059 0.046 0.000 0.894 126 L HN 0.277 nan 8.230 nan 0.000 0.432 127 K N -0.931 119.527 120.400 0.097 0.000 2.097 127 K HA -0.201 4.120 4.320 0.001 0.000 0.206 127 K C 2.280 178.970 176.600 0.150 0.000 1.049 127 K CA 1.516 57.865 56.287 0.103 0.000 0.933 127 K CB -0.433 32.110 32.500 0.072 0.000 0.717 127 K HN 0.412 nan 8.250 nan 0.000 0.442 128 C N 1.151 120.565 119.300 0.191 0.000 2.453 128 C HA -0.025 4.435 4.460 0.001 0.000 0.277 128 C C 2.437 177.642 174.990 0.359 0.000 1.262 128 C CA 0.474 59.660 59.018 0.280 0.000 1.718 128 C CB -0.891 27.072 27.740 0.371 0.000 2.031 128 C HN 0.384 nan 8.230 nan 0.000 0.480 129 L N 0.421 121.811 121.223 0.277 0.000 2.046 129 L HA -0.118 4.223 4.340 0.001 0.000 0.208 129 L C 3.020 180.031 176.870 0.235 0.000 1.077 129 L CA 1.792 56.787 54.840 0.258 0.000 0.747 129 L CB -0.693 41.479 42.059 0.188 0.000 0.896 129 L HN 0.331 nan 8.230 nan 0.000 0.432 130 R N -1.311 119.299 120.500 0.183 0.000 2.092 130 R HA -0.194 4.147 4.340 0.001 0.000 0.231 130 R C 2.286 178.655 176.300 0.115 0.000 1.119 130 R CA 1.483 57.661 56.100 0.131 0.000 0.970 130 R CB -0.486 29.874 30.300 0.100 0.000 0.864 130 R HN 0.272 nan 8.270 nan 0.000 0.440 131 Y N 0.216 120.520 120.300 0.008 0.000 2.114 131 Y HA -0.277 4.274 4.550 0.001 0.000 0.284 131 Y C 1.667 177.510 175.900 -0.096 0.000 1.143 131 Y CA 1.527 59.564 58.100 -0.105 0.000 1.135 131 Y CB -0.407 37.942 38.460 -0.184 0.000 0.980 131 Y HN 0.010 nan 8.280 nan 0.000 0.499 132 Y N -0.325 120.066 120.300 0.152 0.000 2.352 132 Y HA -0.114 4.437 4.550 0.001 0.000 0.292 132 Y C 2.602 178.543 175.900 0.069 0.000 1.136 132 Y CA 0.675 58.849 58.100 0.123 0.000 1.227 132 Y CB -0.546 38.030 38.460 0.193 0.000 0.991 132 Y HN 0.275 nan 8.280 nan 0.000 0.545 133 A N 0.161 123.091 122.820 0.183 0.000 1.948 133 A HA -0.210 4.111 4.320 0.001 0.000 0.220 133 A C 2.468 180.063 177.584 0.018 0.000 1.177 133 A CA 1.921 54.024 52.037 0.109 0.000 0.636 133 A CB -1.376 17.675 19.000 0.085 0.000 0.815 133 A HN 0.478 nan 8.150 nan 0.000 0.449 134 G N -2.900 105.835 108.800 -0.109 0.000 2.572 134 G HA2 -0.116 3.845 3.960 0.001 0.000 0.216 134 G HA3 -0.116 3.845 3.960 0.001 0.000 0.216 134 G C 1.274 176.008 174.900 -0.276 0.000 1.133 134 G CA 0.478 45.436 45.100 -0.236 0.000 0.791 134 G HN 0.677 nan 8.290 nan 0.000 0.538 135 W N 0.650 121.841 121.300 -0.182 0.000 2.584 135 W HA 0.270 4.930 4.660 0.001 0.000 0.264 135 W C 2.720 179.215 176.519 -0.040 0.000 1.264 135 W CA 0.241 57.507 57.345 -0.131 0.000 1.306 135 W CB 0.352 29.748 29.460 -0.108 0.000 1.110 135 W HN 0.242 nan 8.180 nan 0.000 0.606 136 A N 1.210 124.159 122.820 0.216 0.000 1.903 136 A HA -0.298 4.023 4.320 0.001 0.000 0.219 136 A C 1.338 178.995 177.584 0.121 0.000 1.191 136 A CA 2.440 54.569 52.037 0.153 0.000 0.638 136 A CB -0.908 18.151 19.000 0.098 0.000 0.823 136 A HN 0.360 nan 8.150 nan 0.000 0.451 137 D N -2.149 118.304 120.400 0.087 0.000 2.559 137 D HA 0.214 4.855 4.640 0.001 0.000 0.234 137 D C 0.465 176.789 176.300 0.041 0.000 1.226 137 D CA 0.002 54.038 54.000 0.059 0.000 0.830 137 D CB 0.067 40.890 40.800 0.038 0.000 1.028 137 D HN 0.488 nan 8.370 nan 0.000 0.492 138 K N -0.540 119.902 120.400 0.070 0.000 2.520 138 K HA 0.062 4.382 4.320 0.001 0.000 0.206 138 K C -0.638 175.886 176.600 -0.126 0.000 1.122 138 K CA -0.512 55.737 56.287 -0.063 0.000 1.045 138 K CB 0.823 33.326 32.500 0.006 0.000 0.932 138 K HN -0.019 nan 8.250 nan 0.000 0.571 139 Y N 2.581 122.792 120.300 -0.149 0.000 2.880 139 Y HA 0.202 4.753 4.550 0.001 0.000 0.329 139 Y C -0.563 175.218 175.900 -0.200 0.000 1.156 139 Y CA -1.423 56.592 58.100 -0.141 0.000 1.348 139 Y CB -0.645 37.785 38.460 -0.050 0.000 1.280 139 Y HN 0.086 nan 8.280 nan 0.000 0.516 140 H N 1.295 120.259 119.070 -0.177 0.000 2.629 140 H HA 0.436 4.992 4.556 0.001 0.000 0.357 140 H C 0.947 175.847 175.328 -0.713 0.000 1.121 140 H CA 0.199 56.068 56.048 -0.298 0.000 1.406 140 H CB 0.895 30.564 29.762 -0.154 0.000 1.456 140 H HN 0.735 nan 8.280 nan 0.000 0.579 141 G N 1.078 109.559 108.800 -0.533 0.000 2.489 141 G HA2 0.359 4.319 3.960 0.001 0.000 0.271 141 G HA3 0.359 4.319 3.960 0.001 0.000 0.271 141 G C -0.623 174.129 174.900 -0.247 0.000 1.427 141 G CA -0.748 43.957 45.100 -0.659 0.000 1.057 141 G HN 0.550 nan 8.290 nan 0.000 0.532 142 K N -0.967 119.376 120.400 -0.095 0.000 2.395 142 K HA 0.546 4.866 4.320 0.001 0.000 0.247 142 K C -0.727 175.912 176.600 0.064 0.000 0.973 142 K CA -0.676 55.603 56.287 -0.013 0.000 0.828 142 K CB 2.159 34.663 32.500 0.007 0.000 1.272 142 K HN 0.619 nan 8.250 nan 0.000 0.439 143 T N -1.083 113.523 114.554 0.086 0.000 2.824 143 T HA 0.660 5.011 4.350 0.001 0.000 0.280 143 T C -0.104 174.676 174.700 0.133 0.000 0.995 143 T CA -0.745 61.460 62.100 0.175 0.000 1.009 143 T CB 0.301 69.324 68.868 0.257 0.000 0.955 143 T HN 0.396 nan 8.240 nan 0.000 0.452 144 I N 4.290 124.945 120.570 0.141 0.000 2.447 144 I HA 0.335 4.505 4.170 0.001 0.000 0.287 144 I C -2.076 174.107 176.117 0.110 0.000 1.023 144 I CA -2.748 58.606 61.300 0.090 0.000 1.083 144 I CB 2.834 40.858 38.000 0.041 0.000 1.245 144 I HN 0.501 nan 8.210 nan 0.000 0.434 145 P HA 0.142 nan 4.420 nan 0.000 0.225 145 P C 0.152 177.502 177.300 0.083 0.000 1.768 145 P CA 0.098 63.253 63.100 0.092 0.000 0.943 145 P CB -0.036 31.703 31.700 0.065 0.000 1.936 146 I N 0.760 121.387 120.570 0.095 0.000 2.993 146 I HA -0.014 4.157 4.170 0.001 0.000 0.286 146 I C 0.360 176.549 176.117 0.119 0.000 1.215 146 I CA 0.053 61.401 61.300 0.081 0.000 1.393 146 I CB 0.569 38.602 38.000 0.056 0.000 1.371 146 I HN 0.005 nan 8.210 nan 0.000 0.602 147 D N 4.502 124.963 120.400 0.102 0.000 2.400 147 D HA 0.425 5.065 4.640 0.001 0.000 0.238 147 D C 0.357 176.801 176.300 0.241 0.000 1.157 147 D CA 1.312 55.387 54.000 0.124 0.000 0.889 147 D CB 0.815 41.668 40.800 0.088 0.000 1.199 147 D HN 0.936 nan 8.370 nan 0.000 0.436 148 G N 1.761 110.676 108.800 0.192 0.000 2.760 148 G HA2 -0.194 3.767 3.960 0.001 0.000 0.246 148 G HA3 -0.194 3.767 3.960 0.001 0.000 0.246 148 G C -0.740 174.174 174.900 0.024 0.000 1.359 148 G CA -0.712 44.500 45.100 0.186 0.000 0.861 148 G HN 0.509 nan 8.290 nan 0.000 0.541 149 D N 1.036 121.209 120.400 -0.379 0.000 2.608 149 D HA 0.487 5.127 4.640 0.001 0.000 0.224 149 D C -0.120 175.682 176.300 -0.830 0.000 1.123 149 D CA 0.939 54.651 54.000 -0.479 0.000 1.030 149 D CB -0.509 40.040 40.800 -0.418 0.000 1.093 149 D HN 0.281 nan 8.370 nan 0.000 0.497 150 F N 0.367 120.358 119.950 0.069 0.000 2.613 150 F HA 0.387 4.913 4.527 -0.001 0.000 0.310 150 F C -0.382 175.530 175.800 0.186 0.000 1.085 150 F CA -1.459 56.599 58.000 0.097 0.000 0.945 150 F CB 1.551 40.580 39.000 0.048 0.000 1.298 150 F HN -0.142 nan 8.300 nan 0.000 0.455 151 F N 2.063 122.147 119.950 0.224 0.000 2.402 151 F HA 0.677 5.205 4.527 0.001 0.000 0.355 151 F C -0.515 175.383 175.800 0.164 0.000 1.123 151 F CA -1.059 57.046 58.000 0.174 0.000 1.021 151 F CB 1.153 40.249 39.000 0.159 0.000 1.160 151 F HN 0.285 nan 8.300 nan 0.000 0.451 152 S N 6.755 122.406 115.700 -0.080 0.000 2.502 152 S HA 0.790 5.261 4.470 0.001 0.000 0.304 152 S C -1.385 173.050 174.600 -0.276 0.000 1.097 152 S CA -0.297 57.726 58.200 -0.295 0.000 1.045 152 S CB 0.626 63.751 63.200 -0.125 0.000 1.019 152 S HN 0.680 nan 8.310 nan 0.000 0.481 153 Y N 0.143 120.203 120.300 -0.400 0.000 2.677 153 Y HA 0.819 5.370 4.550 0.002 0.000 0.334 153 Y C -0.471 175.339 175.900 -0.150 0.000 1.154 153 Y CA -1.077 56.872 58.100 -0.252 0.000 1.070 153 Y CB 0.848 39.127 38.460 -0.302 0.000 1.294 153 Y HN 0.535 nan 8.280 nan 0.000 0.475 154 T N -0.630 114.003 114.554 0.132 0.000 2.863 154 T HA 0.707 5.057 4.350 0.001 0.000 0.285 154 T C -0.923 173.884 174.700 0.178 0.000 1.009 154 T CA -1.091 61.065 62.100 0.094 0.000 0.989 154 T CB 1.761 70.691 68.868 0.103 0.000 1.004 154 T HN 0.787 nan 8.240 nan 0.000 0.455 155 R N 1.279 121.883 120.500 0.172 0.000 2.393 155 R HA 0.339 4.680 4.340 0.001 0.000 0.310 155 R C -0.330 176.119 176.300 0.249 0.000 0.968 155 R CA -0.692 55.508 56.100 0.168 0.000 0.867 155 R CB 0.981 31.370 30.300 0.149 0.000 1.124 155 R HN 0.725 nan 8.270 nan 0.000 0.450 156 H N 2.459 121.545 119.070 0.026 0.000 2.872 156 H HA 0.107 4.664 4.556 0.001 0.000 0.273 156 H C -0.277 175.103 175.328 0.086 0.000 1.205 156 H CA -0.321 55.748 56.048 0.036 0.000 1.342 156 H CB 0.811 30.557 29.762 -0.027 0.000 1.469 156 H HN 0.404 nan 8.280 nan 0.000 0.487 157 E N 3.962 124.275 120.200 0.189 0.000 2.280 157 E HA 0.212 4.563 4.350 0.001 0.000 0.264 157 E C -2.388 174.334 176.600 0.204 0.000 1.064 157 E CA -2.245 54.257 56.400 0.171 0.000 0.900 157 E CB 0.874 30.659 29.700 0.142 0.000 1.123 157 E HN 0.380 nan 8.360 nan 0.000 0.418 158 P HA -0.065 nan 4.420 nan 0.000 0.271 158 P C 0.502 177.962 177.300 0.265 0.000 1.218 158 P CA 0.052 63.344 63.100 0.320 0.000 0.780 158 P CB 0.691 32.717 31.700 0.543 0.000 0.901 159 V N 1.841 121.842 119.914 0.146 0.000 2.548 159 V HA 0.057 4.178 4.120 0.001 0.000 0.249 159 V C 1.199 177.252 176.094 -0.068 0.000 1.055 159 V CA 2.724 65.053 62.300 0.048 0.000 1.065 159 V CB -1.004 30.823 31.823 0.006 0.000 0.681 159 V HN 1.000 nan 8.190 nan 0.000 0.462 160 G N -1.037 107.602 108.800 -0.269 0.000 2.254 160 G HA2 -0.132 3.828 3.960 0.001 0.000 0.193 160 G HA3 -0.132 3.828 3.960 0.001 0.000 0.193 160 G C -0.495 173.989 174.900 -0.694 0.000 1.233 160 G CA -0.179 44.387 45.100 -0.890 0.000 1.290 160 G HN 0.388 nan 8.290 nan 0.000 0.517 161 V N 1.391 121.029 119.914 -0.459 0.000 2.372 161 V HA 0.415 4.535 4.120 0.001 0.000 0.261 161 V C 0.294 176.302 176.094 -0.142 0.000 1.055 161 V CA -0.233 61.911 62.300 -0.259 0.000 0.930 161 V CB 0.228 31.934 31.823 -0.195 0.000 1.031 161 V HN 0.794 nan 8.190 nan 0.000 0.479 162 C N 4.800 124.053 119.300 -0.079 0.000 2.255 162 C HA 0.674 5.134 4.460 0.001 0.000 0.326 162 C C 1.106 176.100 174.990 0.007 0.000 1.258 162 C CA -0.974 58.044 59.018 -0.000 0.000 1.676 162 C CB 0.204 28.021 27.740 0.128 0.000 2.314 162 C HN 0.968 nan 8.230 nan 0.000 0.509 163 G N 3.120 111.923 108.800 0.004 0.000 2.339 163 G HA2 0.509 4.469 3.960 0.001 0.000 0.287 163 G HA3 0.509 4.469 3.960 0.001 0.000 0.287 163 G C -0.747 174.191 174.900 0.063 0.000 1.163 163 G CA -0.132 44.980 45.100 0.019 0.000 0.872 163 G HN 0.816 nan 8.290 nan 0.000 0.464 164 Q N 1.625 121.469 119.800 0.072 0.000 2.325 164 Q HA 0.420 4.761 4.340 0.001 0.000 0.270 164 Q C -0.703 175.357 176.000 0.100 0.000 1.020 164 Q CA -0.420 55.441 55.803 0.098 0.000 0.785 164 Q CB 2.674 31.470 28.738 0.095 0.000 1.259 164 Q HN 0.538 nan 8.270 nan 0.000 0.452 165 I N 4.818 125.467 120.570 0.131 0.000 2.355 165 I HA 0.444 4.614 4.170 0.001 0.000 0.288 165 I C -0.105 176.034 176.117 0.036 0.000 0.999 165 I CA -0.803 60.584 61.300 0.144 0.000 1.163 165 I CB 0.774 38.959 38.000 0.309 0.000 1.316 165 I HN 0.534 nan 8.210 nan 0.000 0.454 166 I N 5.165 125.746 120.570 0.018 0.000 2.693 166 I HA 0.751 4.922 4.170 0.001 0.000 0.303 166 I C -2.619 173.459 176.117 -0.064 0.000 1.025 166 I CA -2.240 59.030 61.300 -0.050 0.000 1.086 166 I CB 1.877 39.870 38.000 -0.012 0.000 1.268 166 I HN 0.208 nan 8.210 nan 0.000 0.440 167 P HA 0.190 nan 4.420 nan 0.000 0.302 167 P C -0.171 177.063 177.300 -0.110 0.000 1.307 167 P CA -0.194 62.764 63.100 -0.236 0.000 0.754 167 P CB 0.343 31.780 31.700 -0.438 0.000 1.298 168 W N -0.230 121.075 121.300 0.007 0.000 3.058 168 W HA 0.101 4.762 4.660 0.001 0.000 0.306 168 W C 0.823 177.300 176.519 -0.070 0.000 1.188 168 W CA 0.160 57.498 57.345 -0.011 0.000 1.651 168 W CB -1.381 28.080 29.460 0.001 0.000 1.051 168 W HN 0.212 nan 8.180 nan 0.000 0.592 169 N N 2.087 120.620 118.700 -0.277 0.000 2.270 169 N HA -0.148 4.592 4.740 0.001 0.000 0.181 169 N C -0.205 174.899 175.510 -0.676 0.000 1.016 169 N CA 0.766 53.598 53.050 -0.363 0.000 0.870 169 N CB -1.045 37.113 38.487 -0.549 0.000 0.979 169 N HN 0.067 nan 8.380 nan 0.000 0.431 170 F N -0.139 119.699 119.950 -0.185 0.000 2.809 170 F HA 0.443 4.971 4.527 0.001 0.000 0.369 170 F C -1.875 173.815 175.800 -0.184 0.000 1.225 170 F CA -2.009 55.862 58.000 -0.214 0.000 1.201 170 F CB 2.281 41.062 39.000 -0.365 0.000 1.527 170 F HN -0.156 nan 8.300 nan 0.000 0.565 171 P HA -0.103 nan 4.420 nan 0.000 0.215 171 P C 1.940 179.245 177.300 0.009 0.000 1.157 171 P CA 1.246 64.360 63.100 0.024 0.000 0.859 171 P CB 0.578 32.308 31.700 0.050 0.000 0.786 172 L N -1.504 119.725 121.223 0.011 0.000 2.027 172 L HA -0.148 4.193 4.340 0.001 0.000 0.206 172 L C 2.379 179.229 176.870 -0.034 0.000 1.074 172 L CA 1.068 55.914 54.840 0.010 0.000 0.745 172 L CB -0.926 41.147 42.059 0.024 0.000 0.898 172 L HN -0.016 nan 8.230 nan 0.000 0.433 173 L N -0.731 120.436 121.223 -0.094 0.000 2.056 173 L HA -0.203 4.137 4.340 0.001 0.000 0.207 173 L C 2.486 179.089 176.870 -0.445 0.000 1.078 173 L CA 1.773 56.447 54.840 -0.276 0.000 0.749 173 L CB -0.452 41.347 42.059 -0.435 0.000 0.901 173 L HN 0.171 nan 8.230 nan 0.000 0.433 174 M N -1.013 118.370 119.600 -0.363 0.000 2.159 174 M HA -0.241 4.240 4.480 0.001 0.000 0.263 174 M C 2.243 178.510 176.300 -0.054 0.000 1.063 174 M CA 1.510 56.651 55.300 -0.266 0.000 1.110 174 M CB -1.256 31.245 32.600 -0.164 0.000 1.374 174 M HN 0.481 nan 8.290 nan 0.000 0.411 175 Q N -0.176 119.604 119.800 -0.033 0.000 2.061 175 Q HA -0.152 4.188 4.340 0.001 0.000 0.204 175 Q C 2.042 178.068 176.000 0.044 0.000 0.984 175 Q CA 2.087 57.897 55.803 0.011 0.000 0.846 175 Q CB -0.013 28.730 28.738 0.009 0.000 0.902 175 Q HN 0.501 nan 8.270 nan 0.000 0.421 176 A N -0.021 122.840 122.820 0.069 0.000 1.902 176 A HA -0.188 4.132 4.320 0.001 0.000 0.217 176 A C 1.549 179.300 177.584 0.279 0.000 1.181 176 A CA 1.309 53.440 52.037 0.155 0.000 0.623 176 A CB -1.150 17.962 19.000 0.186 0.000 0.818 176 A HN 0.615 nan 8.150 nan 0.000 0.443 177 W N 0.456 121.766 121.300 0.017 0.000 2.364 177 W HA -0.064 4.597 4.660 0.001 0.000 0.281 177 W C 2.105 178.602 176.519 -0.036 0.000 1.219 177 W CA 1.316 58.677 57.345 0.026 0.000 1.220 177 W CB -0.210 29.264 29.460 0.022 0.000 1.127 177 W HN 0.270 nan 8.180 nan 0.000 0.556 178 K N -0.425 120.081 120.400 0.177 0.000 2.099 178 K HA 0.093 4.414 4.320 0.001 0.000 0.203 178 K C 2.043 178.575 176.600 -0.113 0.000 1.047 178 K CA 0.653 56.971 56.287 0.052 0.000 0.963 178 K CB -0.908 31.643 32.500 0.086 0.000 0.759 178 K HN 0.207 nan 8.250 nan 0.000 0.451 179 L N 0.539 121.719 121.223 -0.071 0.000 2.093 179 L HA -0.079 4.261 4.340 0.001 0.000 0.208 179 L C 2.475 179.250 176.870 -0.157 0.000 1.085 179 L CA 1.242 56.008 54.840 -0.123 0.000 0.755 179 L CB -0.984 41.016 42.059 -0.100 0.000 0.904 179 L HN 0.268 nan 8.230 nan 0.000 0.435 180 G N 1.291 110.011 108.800 -0.134 0.000 2.545 180 G HA2 -0.219 3.742 3.960 0.001 0.000 0.217 180 G HA3 -0.219 3.742 3.960 0.001 0.000 0.217 180 G C -0.566 174.038 174.900 -0.494 0.000 1.218 180 G CA 0.978 45.984 45.100 -0.157 0.000 0.787 180 G HN 0.307 nan 8.290 nan 0.000 0.571 181 P HA 0.034 nan 4.420 nan 0.000 0.218 181 P C 2.009 178.900 177.300 -0.682 0.000 1.152 181 P CA 1.862 64.395 63.100 -0.945 0.000 0.826 181 P CB -0.117 31.019 31.700 -0.941 0.000 0.790 182 A N 0.254 122.540 122.820 -0.891 0.000 1.930 182 A HA -0.100 4.220 4.320 0.001 0.000 0.217 182 A C 2.397 179.916 177.584 -0.109 0.000 1.175 182 A CA 1.279 52.926 52.037 -0.650 0.000 0.627 182 A CB -1.509 17.146 19.000 -0.575 0.000 0.815 182 A HN 0.117 nan 8.150 nan 0.000 0.443 183 L N -1.131 120.073 121.223 -0.031 0.000 2.131 183 L HA -0.060 4.281 4.340 0.001 0.000 0.206 183 L C 3.018 180.071 176.870 0.305 0.000 1.087 183 L CA 0.800 55.805 54.840 0.275 0.000 0.767 183 L CB -0.544 41.665 42.059 0.249 0.000 0.917 183 L HN 0.414 nan 8.230 nan 0.000 0.441 184 A N 0.219 123.120 122.820 0.136 0.000 1.972 184 A HA -0.177 4.143 4.320 0.001 0.000 0.219 184 A C 2.111 179.761 177.584 0.110 0.000 1.169 184 A CA 2.118 54.242 52.037 0.145 0.000 0.635 184 A CB -0.741 18.360 19.000 0.168 0.000 0.810 184 A HN 0.501 nan 8.150 nan 0.000 0.446 185 T N -4.865 109.740 114.554 0.084 0.000 3.145 185 T HA 0.451 4.801 4.350 0.001 0.000 0.255 185 T C 1.140 175.931 174.700 0.151 0.000 1.039 185 T CA 0.891 63.056 62.100 0.110 0.000 0.928 185 T CB 0.174 69.102 68.868 0.099 0.000 1.029 185 T HN 1.647 nan 8.240 nan 0.000 0.554 186 G N 1.667 110.570 108.800 0.172 0.000 2.141 186 G HA2 -0.239 3.721 3.960 0.001 0.000 0.242 186 G HA3 -0.239 3.721 3.960 0.001 0.000 0.242 186 G C -0.045 175.204 174.900 0.581 0.000 0.982 186 G CA -0.364 44.825 45.100 0.148 0.000 0.662 186 G HN 0.584 nan 8.290 nan 0.000 0.527 187 N N -0.246 118.764 118.700 0.517 0.000 2.424 187 N HA 0.522 5.262 4.740 0.001 0.000 0.257 187 N C 0.640 176.406 175.510 0.427 0.000 1.250 187 N CA 0.578 53.871 53.050 0.404 0.000 0.946 187 N CB 1.849 40.462 38.487 0.209 0.000 1.175 187 N HN 0.712 nan 8.380 nan 0.000 0.477 188 V N -1.797 118.207 119.914 0.151 0.000 2.881 188 V HA 0.786 4.906 4.120 0.001 0.000 0.316 188 V C 0.152 176.215 176.094 -0.051 0.000 1.070 188 V CA -0.900 61.404 62.300 0.007 0.000 0.976 188 V CB 1.450 33.280 31.823 0.011 0.000 1.038 188 V HN 0.434 nan 8.190 nan 0.000 0.446 189 V N 0.954 120.819 119.914 -0.080 0.000 2.876 189 V HA 0.867 4.988 4.120 0.001 0.000 0.312 189 V C -0.786 175.271 176.094 -0.062 0.000 1.085 189 V CA -0.610 61.656 62.300 -0.057 0.000 0.945 189 V CB 1.916 33.710 31.823 -0.049 0.000 1.017 189 V HN 0.870 nan 8.190 nan 0.000 0.428 190 V N 6.342 126.228 119.914 -0.046 0.000 2.326 190 V HA 0.498 4.619 4.120 0.001 0.000 0.281 190 V C -0.024 176.069 176.094 -0.002 0.000 1.015 190 V CA -0.228 62.049 62.300 -0.038 0.000 0.823 190 V CB 1.300 33.082 31.823 -0.067 0.000 1.009 190 V HN 1.030 nan 8.190 nan 0.000 0.436 191 M N 5.389 124.997 119.600 0.014 0.000 2.268 191 M HA 0.563 5.043 4.480 0.001 0.000 0.344 191 M C -0.624 175.713 176.300 0.061 0.000 1.106 191 M CA -0.516 54.806 55.300 0.037 0.000 1.010 191 M CB 1.296 33.911 32.600 0.025 0.000 1.649 191 M HN 0.424 nan 8.290 nan 0.000 0.443 192 K N 5.407 125.854 120.400 0.078 0.000 2.339 192 K HA 0.459 4.780 4.320 0.001 0.000 0.264 192 K C -1.345 175.322 176.600 0.112 0.000 0.986 192 K CA -0.403 55.943 56.287 0.099 0.000 0.866 192 K CB 0.986 33.548 32.500 0.103 0.000 1.103 192 K HN 0.673 nan 8.250 nan 0.000 0.441 193 V N 0.797 120.788 119.914 0.129 0.000 2.973 193 V HA 0.722 4.843 4.120 0.001 0.000 0.314 193 V C 0.347 176.544 176.094 0.172 0.000 1.066 193 V CA -1.146 61.236 62.300 0.138 0.000 1.021 193 V CB 1.152 33.061 31.823 0.143 0.000 1.076 193 V HN 0.745 nan 8.190 nan 0.000 0.462 194 A N 1.845 124.775 122.820 0.184 0.000 2.477 194 A HA 0.278 4.599 4.320 0.001 0.000 0.246 194 A C 1.231 178.962 177.584 0.245 0.000 1.078 194 A CA 0.356 52.532 52.037 0.233 0.000 0.770 194 A CB -0.154 19.037 19.000 0.318 0.000 1.011 194 A HN 1.163 nan 8.150 nan 0.000 0.494 195 E N 1.676 122.002 120.200 0.210 0.000 2.265 195 E HA -0.275 4.076 4.350 0.001 0.000 0.196 195 E C 0.994 177.762 176.600 0.279 0.000 0.996 195 E CA 1.609 58.143 56.400 0.223 0.000 0.832 195 E CB -0.182 29.526 29.700 0.014 0.000 0.756 195 E HN 0.802 nan 8.360 nan 0.000 0.491 196 Q N 0.662 120.553 119.800 0.152 0.000 2.311 196 Q HA 0.004 4.345 4.340 0.001 0.000 0.203 196 Q C 0.516 176.580 176.000 0.106 0.000 0.954 196 Q CA 1.608 57.443 55.803 0.052 0.000 0.885 196 Q CB 0.706 29.339 28.738 -0.176 0.000 0.963 196 Q HN 0.457 nan 8.270 nan 0.000 0.471 197 T N -4.239 110.420 114.554 0.174 0.000 3.631 197 T HA 0.321 4.671 4.350 0.001 0.000 0.256 197 T C -2.679 172.112 174.700 0.153 0.000 1.187 197 T CA -1.258 60.929 62.100 0.144 0.000 1.667 197 T CB 1.002 69.958 68.868 0.147 0.000 0.804 197 T HN -0.108 nan 8.240 nan 0.000 0.639 198 P HA 0.313 nan 4.420 nan 0.000 0.245 198 P C 1.678 179.052 177.300 0.123 0.000 1.199 198 P CA -0.208 62.993 63.100 0.169 0.000 0.807 198 P CB 0.293 32.126 31.700 0.221 0.000 1.002 199 L N 0.143 121.417 121.223 0.085 0.000 1.989 199 L HA -0.170 4.170 4.340 0.001 0.000 0.211 199 L C 2.563 179.497 176.870 0.106 0.000 1.071 199 L CA 2.608 57.488 54.840 0.066 0.000 0.749 199 L CB -1.861 40.208 42.059 0.017 0.000 0.890 199 L HN 0.128 nan 8.230 nan 0.000 0.431 200 T N -2.493 112.111 114.554 0.084 0.000 2.821 200 T HA -0.107 4.244 4.350 0.001 0.000 0.267 200 T C 1.930 176.723 174.700 0.154 0.000 1.046 200 T CA 0.924 63.088 62.100 0.106 0.000 1.139 200 T CB -0.392 68.508 68.868 0.053 0.000 0.871 200 T HN 0.317 nan 8.240 nan 0.000 0.454 201 A N 1.577 124.470 122.820 0.121 0.000 1.930 201 A HA 0.198 4.518 4.320 0.001 0.000 0.217 201 A C 2.432 180.088 177.584 0.120 0.000 1.175 201 A CA 1.169 53.267 52.037 0.102 0.000 0.627 201 A CB -0.828 18.225 19.000 0.088 0.000 0.815 201 A HN 0.552 nan 8.150 nan 0.000 0.443 202 L N -2.392 118.938 121.223 0.180 0.000 2.109 202 L HA -0.144 4.196 4.340 0.001 0.000 0.207 202 L C 2.554 179.599 176.870 0.292 0.000 1.086 202 L CA 1.481 56.483 54.840 0.270 0.000 0.760 202 L CB -0.618 41.582 42.059 0.235 0.000 0.910 202 L HN 0.558 nan 8.230 nan 0.000 0.437 203 Y N 0.374 120.768 120.300 0.157 0.000 2.224 203 Y HA -0.202 4.348 4.550 0.001 0.000 0.289 203 Y C 2.350 178.339 175.900 0.148 0.000 1.146 203 Y CA 1.357 59.574 58.100 0.194 0.000 1.182 203 Y CB -0.125 38.498 38.460 0.271 0.000 0.983 203 Y HN -0.158 nan 8.280 nan 0.000 0.524 204 V N 0.186 120.170 119.914 0.117 0.000 2.626 204 V HA -0.272 3.848 4.120 0.001 0.000 0.252 204 V C 2.596 178.583 176.094 -0.178 0.000 1.067 204 V CA 1.410 63.705 62.300 -0.009 0.000 1.081 204 V CB -1.404 30.446 31.823 0.045 0.000 0.686 204 V HN 0.557 nan 8.190 nan 0.000 0.468 205 A N 0.409 123.080 122.820 -0.248 0.000 1.940 205 A HA -0.278 4.043 4.320 0.001 0.000 0.219 205 A C 2.075 179.262 177.584 -0.662 0.000 1.176 205 A CA 2.285 53.901 52.037 -0.701 0.000 0.631 205 A CB -0.731 17.656 19.000 -1.022 0.000 0.814 205 A HN 0.567 nan 8.150 nan 0.000 0.446 206 N N -0.043 118.518 118.700 -0.233 0.000 2.120 206 N HA -0.055 4.685 4.740 0.001 0.000 0.188 206 N C 1.548 176.967 175.510 -0.151 0.000 1.024 206 N CA 1.315 54.318 53.050 -0.080 0.000 0.852 206 N CB -0.337 38.090 38.487 -0.099 0.000 1.003 206 N HN 0.503 nan 8.380 nan 0.000 0.424 207 L N -0.070 121.015 121.223 -0.229 0.000 2.141 207 L HA -0.061 4.280 4.340 0.001 0.000 0.209 207 L C 1.989 178.851 176.870 -0.013 0.000 1.094 207 L CA 0.659 55.435 54.840 -0.107 0.000 0.763 207 L CB -0.368 41.649 42.059 -0.069 0.000 0.908 207 L HN 0.200 nan 8.230 nan 0.000 0.437 208 I N 0.193 120.715 120.570 -0.080 0.000 2.226 208 I HA -0.330 3.840 4.170 0.001 0.000 0.245 208 I C 2.738 178.944 176.117 0.148 0.000 1.100 208 I CA 1.413 62.698 61.300 -0.026 0.000 1.374 208 I CB -0.280 37.549 38.000 -0.286 0.000 1.057 208 I HN 0.263 nan 8.210 nan 0.000 0.413 209 K N 1.166 121.619 120.400 0.088 0.000 2.002 209 K HA -0.264 4.056 4.320 0.001 0.000 0.209 209 K C 2.137 178.814 176.600 0.128 0.000 1.048 209 K CA 1.828 58.212 56.287 0.162 0.000 0.930 209 K CB -0.144 32.469 32.500 0.189 0.000 0.714 209 K HN 0.233 nan 8.250 nan 0.000 0.438 210 E N -0.314 119.938 120.200 0.087 0.000 2.153 210 E HA -0.187 4.163 4.350 0.001 0.000 0.194 210 E C 1.629 178.278 176.600 0.083 0.000 0.988 210 E CA 0.952 57.394 56.400 0.069 0.000 0.811 210 E CB -0.077 29.645 29.700 0.037 0.000 0.746 210 E HN 0.466 nan 8.360 nan 0.000 0.466 211 A N -0.087 122.809 122.820 0.126 0.000 2.015 211 A HA 0.065 4.386 4.320 0.001 0.000 0.219 211 A C 1.869 179.476 177.584 0.039 0.000 1.163 211 A CA 1.426 53.535 52.037 0.121 0.000 0.646 211 A CB -0.311 18.845 19.000 0.260 0.000 0.806 211 A HN 0.498 nan 8.150 nan 0.000 0.448 212 G N -2.858 105.997 108.800 0.090 0.000 2.175 212 G HA2 -0.152 3.809 3.960 0.001 0.000 0.182 212 G HA3 -0.152 3.809 3.960 0.001 0.000 0.182 212 G C -0.026 174.888 174.900 0.024 0.000 1.003 212 G CA -0.238 44.883 45.100 0.035 0.000 0.666 212 G HN 0.262 nan 8.290 nan 0.000 0.506 213 F N 1.805 121.776 119.950 0.035 0.000 2.572 213 F HA 0.400 4.928 4.527 0.001 0.000 0.370 213 F C -1.137 174.655 175.800 -0.013 0.000 1.103 213 F CA -1.288 56.708 58.000 -0.006 0.000 1.286 213 F CB 0.303 39.235 39.000 -0.113 0.000 1.105 213 F HN -0.097 nan 8.300 nan 0.000 0.583 214 P HA 0.046 nan 4.420 nan 0.000 0.267 214 P C -2.511 174.801 177.300 0.021 0.000 1.200 214 P CA -0.826 62.331 63.100 0.096 0.000 0.772 214 P CB -0.030 31.759 31.700 0.148 0.000 0.855 215 P HA 0.062 nan 4.420 nan 0.000 0.265 215 P C 1.012 178.264 177.300 -0.081 0.000 1.193 215 P CA 1.142 64.205 63.100 -0.061 0.000 0.765 215 P CB 0.146 31.809 31.700 -0.062 0.000 0.823 216 G N 1.120 109.842 108.800 -0.129 0.000 2.217 216 G HA2 -0.303 3.657 3.960 0.001 0.000 0.246 216 G HA3 -0.303 3.657 3.960 0.001 0.000 0.246 216 G C 1.003 175.820 174.900 -0.139 0.000 0.990 216 G CA 0.227 45.255 45.100 -0.120 0.000 0.627 216 G HN 0.394 nan 8.290 nan 0.000 0.522 217 V N -0.010 119.776 119.914 -0.213 0.000 2.343 217 V HA 0.049 4.170 4.120 0.001 0.000 0.247 217 V C 1.490 177.407 176.094 -0.294 0.000 1.051 217 V CA 2.040 64.099 62.300 -0.401 0.000 1.036 217 V CB -0.016 31.350 31.823 -0.762 0.000 0.654 217 V HN 0.410 nan 8.190 nan 0.000 0.451 218 V N 1.833 121.623 119.914 -0.206 0.000 2.444 218 V HA 0.456 4.576 4.120 0.001 0.000 0.294 218 V C -0.813 175.293 176.094 0.020 0.000 1.022 218 V CA -0.769 61.453 62.300 -0.132 0.000 0.850 218 V CB 1.646 33.338 31.823 -0.218 0.000 0.992 218 V HN 0.460 nan 8.190 nan 0.000 0.426 219 N N 5.838 124.538 118.700 -0.001 0.000 2.354 219 N HA 0.615 5.356 4.740 0.001 0.000 0.287 219 N C -1.158 174.388 175.510 0.060 0.000 1.016 219 N CA -0.409 52.662 53.050 0.035 0.000 0.871 219 N CB 2.958 41.405 38.487 -0.067 0.000 1.299 219 N HN 0.490 nan 8.380 nan 0.000 0.482 220 I N 1.546 122.198 120.570 0.137 0.000 2.406 220 I HA 0.328 4.498 4.170 0.001 0.000 0.290 220 I C -0.360 175.837 176.117 0.134 0.000 0.999 220 I CA -1.012 60.358 61.300 0.116 0.000 1.124 220 I CB 2.033 40.102 38.000 0.115 0.000 1.289 220 I HN 0.053 nan 8.210 nan 0.000 0.441 221 V N 8.156 128.133 119.914 0.106 0.000 2.284 221 V HA 0.284 4.405 4.120 0.001 0.000 0.274 221 V C -2.050 174.125 176.094 0.135 0.000 1.023 221 V CA -1.579 60.785 62.300 0.108 0.000 0.808 221 V CB 1.301 33.160 31.823 0.060 0.000 1.035 221 V HN 0.579 nan 8.190 nan 0.000 0.445 222 P HA 0.481 nan 4.420 nan 0.000 0.272 222 P C 0.211 177.620 177.300 0.182 0.000 1.223 222 P CA 0.562 63.809 63.100 0.245 0.000 0.784 222 P CB 1.947 33.849 31.700 0.337 0.000 0.923 223 G N 0.619 109.463 108.800 0.073 0.000 2.392 223 G HA2 0.397 4.357 3.960 0.001 0.000 0.260 223 G HA3 0.397 4.357 3.960 0.001 0.000 0.260 223 G C -1.802 172.943 174.900 -0.258 0.000 1.226 223 G CA -0.583 44.373 45.100 -0.240 0.000 0.913 223 G HN 0.253 nan 8.290 nan 0.000 0.483 224 F N 0.761 120.605 119.950 -0.176 0.000 2.483 224 F HA 0.665 5.193 4.527 0.001 0.000 0.329 224 F C 1.592 177.361 175.800 -0.051 0.000 1.064 224 F CA -0.381 57.526 58.000 -0.154 0.000 0.986 224 F CB 1.232 40.140 39.000 -0.153 0.000 1.218 224 F HN 0.690 nan 8.300 nan 0.000 0.484 225 G N 1.094 110.006 108.800 0.186 0.000 2.511 225 G HA2 -0.153 3.808 3.960 0.001 0.000 0.216 225 G HA3 -0.153 3.808 3.960 0.001 0.000 0.216 225 G C -0.973 173.981 174.900 0.090 0.000 1.218 225 G CA 0.710 45.885 45.100 0.125 0.000 0.788 225 G HN 0.493 nan 8.290 nan 0.000 0.560 226 P HA -0.032 nan 4.420 nan 0.000 0.223 226 P C 1.794 179.124 177.300 0.051 0.000 1.144 226 P CA 2.106 65.232 63.100 0.044 0.000 0.783 226 P CB -0.026 31.694 31.700 0.034 0.000 0.771 227 T N -4.043 110.558 114.554 0.078 0.000 3.480 227 T HA 0.313 4.664 4.350 0.001 0.000 0.229 227 T C 1.949 176.675 174.700 0.043 0.000 0.944 227 T CA 0.597 62.731 62.100 0.056 0.000 1.388 227 T CB -1.117 67.786 68.868 0.058 0.000 1.180 227 T HN -0.090 nan 8.240 nan 0.000 0.414 228 A N 1.897 124.741 122.820 0.039 0.000 1.865 228 A HA 0.200 4.521 4.320 0.001 0.000 0.217 228 A C 2.682 180.300 177.584 0.056 0.000 1.191 228 A CA 2.200 54.260 52.037 0.038 0.000 0.623 228 A CB -1.806 17.210 19.000 0.026 0.000 0.826 228 A HN 0.724 nan 8.150 nan 0.000 0.444 229 G N -0.710 108.133 108.800 0.071 0.000 2.440 229 G HA2 -0.018 3.943 3.960 0.001 0.000 0.218 229 G HA3 -0.018 3.943 3.960 0.001 0.000 0.218 229 G C 1.718 176.646 174.900 0.046 0.000 1.154 229 G CA 1.576 46.724 45.100 0.079 0.000 0.767 229 G HN 0.893 nan 8.290 nan 0.000 0.552 230 A N 0.844 123.681 122.820 0.029 0.000 2.015 230 A HA 0.386 4.706 4.320 0.001 0.000 0.219 230 A C 2.727 180.324 177.584 0.021 0.000 1.163 230 A CA 1.943 53.984 52.037 0.007 0.000 0.646 230 A CB -0.503 18.497 19.000 0.000 0.000 0.806 230 A HN 0.716 nan 8.150 nan 0.000 0.448 231 A N 0.065 122.908 122.820 0.040 0.000 1.929 231 A HA 0.009 4.330 4.320 0.001 0.000 0.216 231 A C 2.044 179.689 177.584 0.101 0.000 1.176 231 A CA 1.279 53.352 52.037 0.060 0.000 0.628 231 A CB -0.523 18.516 19.000 0.065 0.000 0.816 231 A HN 0.487 nan 8.150 nan 0.000 0.444 232 I N -0.088 120.530 120.570 0.080 0.000 2.179 232 I HA -0.270 3.900 4.170 0.001 0.000 0.242 232 I C 2.877 179.036 176.117 0.071 0.000 1.088 232 I CA 1.192 62.536 61.300 0.073 0.000 1.357 232 I CB -0.333 37.698 38.000 0.051 0.000 1.051 232 I HN 0.326 nan 8.210 nan 0.000 0.409 233 A N -0.299 122.547 122.820 0.044 0.000 2.067 233 A HA -0.106 4.214 4.320 0.001 0.000 0.219 233 A C 2.288 179.886 177.584 0.022 0.000 1.158 233 A CA 1.804 53.853 52.037 0.020 0.000 0.661 233 A CB -0.354 18.635 19.000 -0.018 0.000 0.801 233 A HN 0.415 nan 8.150 nan 0.000 0.452 234 S N -1.258 114.463 115.700 0.036 0.000 2.523 234 S HA 0.105 4.576 4.470 0.001 0.000 0.217 234 S C 0.575 175.196 174.600 0.034 0.000 0.996 234 S CA -0.583 57.628 58.200 0.018 0.000 0.921 234 S CB -0.180 63.017 63.200 -0.005 0.000 0.829 234 S HN 0.691 nan 8.310 nan 0.000 0.495 235 H N 2.808 121.872 119.070 -0.012 0.000 2.897 235 H HA 0.091 4.647 4.556 0.001 0.000 0.347 235 H C 0.730 176.051 175.328 -0.011 0.000 1.068 235 H CA 0.685 56.727 56.048 -0.010 0.000 1.426 235 H CB 0.656 30.412 29.762 -0.009 0.000 1.410 235 H HN 0.109 nan 8.280 nan 0.000 0.597 236 E N 2.825 123.033 120.200 0.013 0.000 2.481 236 E HA -0.086 4.265 4.350 0.001 0.000 0.195 236 E C 0.381 177.080 176.600 0.166 0.000 1.047 236 E CA 0.571 57.006 56.400 0.058 0.000 0.867 236 E CB 0.295 29.972 29.700 -0.037 0.000 0.858 236 E HN 0.559 nan 8.360 nan 0.000 0.513 237 D N -0.311 120.331 120.400 0.404 0.000 2.571 237 D HA 0.074 4.714 4.640 0.001 0.000 0.239 237 D C -0.866 175.458 176.300 0.040 0.000 1.267 237 D CA -0.040 54.073 54.000 0.188 0.000 0.823 237 D CB 0.661 41.569 40.800 0.180 0.000 1.056 237 D HN -0.226 nan 8.370 nan 0.000 0.494 238 V N 1.473 121.419 119.914 0.053 0.000 2.394 238 V HA 0.205 4.325 4.120 0.001 0.000 0.282 238 V C 0.683 176.766 176.094 -0.020 0.000 1.031 238 V CA -0.442 61.837 62.300 -0.036 0.000 0.881 238 V CB 1.822 33.625 31.823 -0.033 0.000 0.982 238 V HN 0.056 nan 8.190 nan 0.000 0.451 239 D N 2.943 123.310 120.400 -0.054 0.000 2.327 239 D HA 0.089 4.729 4.640 0.001 0.000 0.205 239 D C 0.667 176.934 176.300 -0.053 0.000 0.989 239 D CA 0.695 54.664 54.000 -0.050 0.000 0.873 239 D CB 0.779 41.532 40.800 -0.077 0.000 0.955 239 D HN 0.427 nan 8.370 nan 0.000 0.515 240 K N 0.753 121.118 120.400 -0.058 0.000 2.550 240 K HA 0.354 4.674 4.320 0.001 0.000 0.252 240 K C -2.055 174.522 176.600 -0.039 0.000 0.943 240 K CA -0.520 55.727 56.287 -0.067 0.000 0.806 240 K CB 3.096 35.528 32.500 -0.114 0.000 1.289 240 K HN -0.193 nan 8.250 nan 0.000 0.435 241 V N 2.946 122.844 119.914 -0.027 0.000 2.487 241 V HA 0.794 4.915 4.120 0.001 0.000 0.298 241 V C -1.261 174.853 176.094 0.034 0.000 1.028 241 V CA -0.359 61.951 62.300 0.016 0.000 0.860 241 V CB 1.427 33.266 31.823 0.027 0.000 0.991 241 V HN 0.858 nan 8.190 nan 0.000 0.427 242 A N 6.796 129.662 122.820 0.076 0.000 2.304 242 A HA 0.832 5.152 4.320 0.001 0.000 0.314 242 A C -1.244 176.455 177.584 0.191 0.000 1.187 242 A CA -0.454 51.647 52.037 0.106 0.000 0.810 242 A CB 0.869 19.930 19.000 0.103 0.000 1.183 242 A HN 1.158 nan 8.150 nan 0.000 0.487 243 F N 2.320 122.293 119.950 0.039 0.000 2.518 243 F HA 0.661 5.189 4.527 0.001 0.000 0.323 243 F C -0.361 175.470 175.800 0.052 0.000 1.129 243 F CA -0.019 58.006 58.000 0.042 0.000 0.920 243 F CB 2.157 41.173 39.000 0.027 0.000 1.160 243 F HN 0.405 nan 8.300 nan 0.000 0.440 244 T N 4.854 118.972 114.554 -0.727 0.000 2.792 244 T HA 0.813 5.164 4.350 0.001 0.000 0.280 244 T C -0.093 173.960 174.700 -1.077 0.000 0.990 244 T CA -0.176 61.549 62.100 -0.625 0.000 0.960 244 T CB 1.194 69.918 68.868 -0.239 0.000 0.939 244 T HN 1.123 nan 8.240 nan 0.000 0.439 245 G N 1.713 110.056 108.800 -0.761 0.000 2.360 245 G HA2 0.413 4.374 3.960 0.001 0.000 0.276 245 G HA3 0.413 4.374 3.960 0.001 0.000 0.276 245 G C -0.495 174.347 174.900 -0.097 0.000 1.256 245 G CA -0.331 44.471 45.100 -0.498 0.000 0.890 245 G HN 0.934 nan 8.290 nan 0.000 0.486 246 S N -0.555 115.167 115.700 0.037 0.000 2.573 246 S HA 0.353 4.823 4.470 0.001 0.000 0.277 246 S C 1.384 176.099 174.600 0.191 0.000 1.346 246 S CA 1.196 59.428 58.200 0.054 0.000 1.034 246 S CB 1.191 64.417 63.200 0.043 0.000 0.879 246 S HN 0.889 nan 8.310 nan 0.000 0.528 247 T N 1.329 115.984 114.554 0.168 0.000 2.788 247 T HA -0.117 4.234 4.350 0.001 0.000 0.268 247 T C 1.660 176.433 174.700 0.121 0.000 1.044 247 T CA 1.580 63.791 62.100 0.186 0.000 1.139 247 T CB -0.454 68.559 68.868 0.242 0.000 0.867 247 T HN 0.800 nan 8.240 nan 0.000 0.454 248 E N 0.364 120.624 120.200 0.101 0.000 2.058 248 E HA -0.148 4.202 4.350 0.001 0.000 0.194 248 E C 1.977 178.587 176.600 0.016 0.000 0.997 248 E CA 1.112 57.544 56.400 0.053 0.000 0.801 248 E CB -0.017 29.714 29.700 0.052 0.000 0.746 248 E HN 0.325 nan 8.360 nan 0.000 0.450 249 I N 0.240 120.830 120.570 0.033 0.000 2.500 249 I HA -0.065 4.106 4.170 0.001 0.000 0.252 249 I C 2.519 178.428 176.117 -0.347 0.000 1.142 249 I CA 1.022 62.265 61.300 -0.095 0.000 1.451 249 I CB -1.684 36.320 38.000 0.006 0.000 1.093 249 I HN 0.118 nan 8.210 nan 0.000 0.430 250 G N 1.507 110.191 108.800 -0.194 0.000 2.450 250 G HA2 -0.229 3.731 3.960 0.001 0.000 0.220 250 G HA3 -0.229 3.731 3.960 0.001 0.000 0.220 250 G C 1.790 176.596 174.900 -0.155 0.000 1.130 250 G CA 0.282 45.246 45.100 -0.226 0.000 0.760 250 G HN 0.258 nan 8.290 nan 0.000 0.557 251 R N 0.168 120.616 120.500 -0.086 0.000 2.075 251 R HA -0.032 4.309 4.340 0.001 0.000 0.232 251 R C 2.663 178.904 176.300 -0.098 0.000 1.126 251 R CA 1.195 57.255 56.100 -0.067 0.000 0.963 251 R CB -1.123 29.154 30.300 -0.038 0.000 0.858 251 R HN 0.382 nan 8.270 nan 0.000 0.435 252 V N 2.046 121.882 119.914 -0.130 0.000 2.261 252 V HA -0.234 3.887 4.120 0.001 0.000 0.246 252 V C 2.592 178.592 176.094 -0.156 0.000 1.047 252 V CA 1.524 63.747 62.300 -0.128 0.000 1.015 252 V CB -0.537 31.207 31.823 -0.130 0.000 0.642 252 V HN 0.116 nan 8.190 nan 0.000 0.446 253 I N 0.200 120.614 120.570 -0.261 0.000 2.113 253 I HA -0.362 3.809 4.170 0.001 0.000 0.242 253 I C 2.649 178.681 176.117 -0.141 0.000 1.064 253 I CA 2.431 63.580 61.300 -0.252 0.000 1.320 253 I CB -1.223 36.504 38.000 -0.455 0.000 1.028 253 I HN 0.494 nan 8.210 nan 0.000 0.406 254 Q N 0.718 120.444 119.800 -0.124 0.000 2.061 254 Q HA -0.176 4.164 4.340 0.001 0.000 0.204 254 Q C 2.346 178.311 176.000 -0.058 0.000 0.984 254 Q CA 2.053 57.814 55.803 -0.069 0.000 0.846 254 Q CB -0.125 28.583 28.738 -0.051 0.000 0.902 254 Q HN 0.285 nan 8.270 nan 0.000 0.421 255 V N 0.770 120.647 119.914 -0.062 0.000 2.453 255 V HA -0.330 3.791 4.120 0.001 0.000 0.252 255 V C 2.189 178.256 176.094 -0.045 0.000 1.068 255 V CA 1.891 64.162 62.300 -0.049 0.000 1.070 255 V CB -0.851 30.942 31.823 -0.050 0.000 0.664 255 V HN 0.582 nan 8.190 nan 0.000 0.461 256 A N -0.703 122.085 122.820 -0.052 0.000 1.898 256 A HA 0.082 4.403 4.320 0.001 0.000 0.214 256 A C 2.381 179.947 177.584 -0.031 0.000 1.183 256 A CA 1.500 53.513 52.037 -0.041 0.000 0.622 256 A CB -0.600 18.373 19.000 -0.045 0.000 0.824 256 A HN 0.555 nan 8.150 nan 0.000 0.444 257 A N -0.343 122.457 122.820 -0.033 0.000 1.930 257 A HA 0.153 4.473 4.320 0.001 0.000 0.217 257 A C 2.291 179.862 177.584 -0.021 0.000 1.175 257 A CA 1.713 53.737 52.037 -0.022 0.000 0.627 257 A CB -1.208 17.778 19.000 -0.023 0.000 0.815 257 A HN 0.716 nan 8.150 nan 0.000 0.443 258 G N -0.332 108.453 108.800 -0.026 0.000 2.509 258 G HA2 -0.029 3.932 3.960 0.001 0.000 0.218 258 G HA3 -0.029 3.932 3.960 0.001 0.000 0.218 258 G C 1.371 176.259 174.900 -0.021 0.000 1.124 258 G CA 1.340 46.426 45.100 -0.024 0.000 0.776 258 G HN 0.886 nan 8.290 nan 0.000 0.547 259 S N -0.273 115.414 115.700 -0.022 0.000 2.574 259 S HA 0.340 4.811 4.470 0.001 0.000 0.242 259 S C 1.430 176.018 174.600 -0.019 0.000 0.982 259 S CA 0.477 58.665 58.200 -0.020 0.000 0.977 259 S CB 0.398 63.584 63.200 -0.022 0.000 0.814 259 S HN 0.419 nan 8.310 nan 0.000 0.464 260 S N 2.333 118.024 115.700 -0.016 0.000 3.386 260 S HA 0.213 4.684 4.470 0.001 0.000 0.181 260 S C 0.838 175.433 174.600 -0.009 0.000 0.763 260 S CA 0.334 58.526 58.200 -0.013 0.000 0.847 260 S CB -0.390 62.806 63.200 -0.007 0.000 0.980 260 S HN 0.537 nan 8.310 nan 0.000 0.676 261 N N 1.004 119.702 118.700 -0.003 0.000 2.301 261 N HA 0.274 5.015 4.740 0.001 0.000 0.247 261 N C -0.081 175.427 175.510 -0.003 0.000 1.347 261 N CA -0.043 53.007 53.050 0.001 0.000 0.844 261 N CB -0.405 38.090 38.487 0.013 0.000 1.332 261 N HN 0.547 nan 8.380 nan 0.000 0.494 262 L N 0.054 121.271 121.223 -0.009 0.000 3.717 262 L HA -0.291 4.049 4.340 0.001 0.000 0.414 262 L C -0.101 176.759 176.870 -0.015 0.000 1.228 262 L CA 0.790 55.622 54.840 -0.013 0.000 0.918 262 L CB -1.737 40.314 42.059 -0.013 0.000 1.865 262 L HN 0.446 nan 8.230 nan 0.000 0.922 263 K N 0.204 120.595 120.400 -0.014 0.000 2.319 263 K HA 0.466 4.787 4.320 0.001 0.000 0.265 263 K C 0.315 176.896 176.600 -0.031 0.000 1.000 263 K CA -0.652 55.623 56.287 -0.020 0.000 0.943 263 K CB 0.608 33.100 32.500 -0.013 0.000 0.950 263 K HN 0.112 nan 8.250 nan 0.000 0.485 264 R N 1.184 121.657 120.500 -0.045 0.000 2.491 264 R HA 0.169 4.509 4.340 0.001 0.000 0.283 264 R C -0.738 175.526 176.300 -0.060 0.000 1.072 264 R CA -0.341 55.723 56.100 -0.059 0.000 1.048 264 R CB 0.897 31.147 30.300 -0.083 0.000 0.983 264 R HN 0.381 nan 8.270 nan 0.000 0.450 265 V N 2.650 122.533 119.914 -0.051 0.000 2.588 265 V HA 0.360 4.481 4.120 0.001 0.000 0.304 265 V C -0.114 175.962 176.094 -0.030 0.000 1.042 265 V CA -0.676 61.605 62.300 -0.032 0.000 0.877 265 V CB 2.079 33.892 31.823 -0.017 0.000 0.996 265 V HN 0.968 nan 8.190 nan 0.000 0.425 266 T N 3.455 117.999 114.554 -0.016 0.000 2.887 266 T HA 0.869 5.219 4.350 0.001 0.000 0.288 266 T C -0.965 173.780 174.700 0.075 0.000 1.021 266 T CA -0.719 61.385 62.100 0.005 0.000 1.000 266 T CB 1.688 70.538 68.868 -0.029 0.000 1.034 266 T HN 0.358 nan 8.240 nan 0.000 0.467 267 L N 1.507 122.782 121.223 0.087 0.000 2.401 267 L HA 0.631 4.972 4.340 0.001 0.000 0.266 267 L C -0.199 176.739 176.870 0.113 0.000 0.991 267 L CA -0.845 54.087 54.840 0.154 0.000 0.818 267 L CB 2.361 44.519 42.059 0.166 0.000 1.321 267 L HN 0.689 nan 8.230 nan 0.000 0.413 268 E N 3.942 124.205 120.200 0.106 0.000 2.331 268 E HA 0.446 4.796 4.350 0.001 0.000 0.243 268 E C -1.074 175.562 176.600 0.060 0.000 0.925 268 E CA -0.182 56.267 56.400 0.081 0.000 0.760 268 E CB 1.202 30.972 29.700 0.116 0.000 1.254 268 E HN 0.529 nan 8.360 nan 0.000 0.419 269 L N 0.686 121.968 121.223 0.099 0.000 2.935 269 L HA 0.636 4.977 4.340 0.001 0.000 0.214 269 L C 1.339 178.262 176.870 0.089 0.000 1.574 269 L CA -0.944 53.968 54.840 0.120 0.000 1.628 269 L CB -0.145 42.026 42.059 0.187 0.000 2.455 269 L HN 0.348 nan 8.230 nan 0.000 0.578 270 G N -1.621 107.246 108.800 0.113 0.000 2.535 270 G HA2 0.555 4.516 3.960 0.001 0.000 0.282 270 G HA3 0.555 4.516 3.960 0.001 0.000 0.282 270 G C -0.632 174.050 174.900 -0.365 0.000 1.350 270 G CA 0.129 45.173 45.100 -0.093 0.000 1.039 270 G HN 0.804 nan 8.290 nan 0.000 0.509 271 G N -1.886 106.399 108.800 -0.858 0.000 2.576 271 G HA2 0.484 4.444 3.960 0.001 0.000 0.290 271 G HA3 0.484 4.444 3.960 0.001 0.000 0.290 271 G C -1.460 173.025 174.900 -0.692 0.000 1.442 271 G CA -0.612 44.001 45.100 -0.813 0.000 0.792 271 G HN 0.592 nan 8.290 nan 0.000 0.491 272 K N 0.702 120.956 120.400 -0.243 0.000 3.098 272 K HA 0.474 4.795 4.320 0.001 0.000 0.170 272 K C -0.052 176.602 176.600 0.090 0.000 1.106 272 K CA -0.318 55.958 56.287 -0.018 0.000 0.864 272 K CB 0.297 32.871 32.500 0.124 0.000 1.047 272 K HN 0.446 nan 8.250 nan 0.000 0.609 273 S N 3.064 118.827 115.700 0.105 0.000 2.549 273 S HA 0.244 4.714 4.470 0.001 0.000 0.283 273 S C -2.422 172.312 174.600 0.225 0.000 1.320 273 S CA -0.751 57.560 58.200 0.183 0.000 1.058 273 S CB 0.479 63.846 63.200 0.277 0.000 0.882 273 S HN 0.358 nan 8.310 nan 0.000 0.498 274 P HA 0.283 nan 4.420 nan 0.000 0.292 274 P C -1.003 176.510 177.300 0.355 0.000 1.287 274 P CA -0.671 62.634 63.100 0.342 0.000 0.800 274 P CB 0.380 32.269 31.700 0.316 0.000 0.945 275 N N 3.485 122.385 118.700 0.334 0.000 2.558 275 N HA 0.340 5.081 4.740 0.001 0.000 0.242 275 N C -0.899 174.794 175.510 0.305 0.000 0.979 275 N CA -0.543 52.705 53.050 0.329 0.000 0.931 275 N CB 0.358 38.926 38.487 0.135 0.000 1.122 275 N HN 0.297 nan 8.380 nan 0.000 0.508 276 I N 4.782 125.549 120.570 0.328 0.000 2.304 276 I HA 0.277 4.447 4.170 0.001 0.000 0.291 276 I C -0.150 176.161 176.117 0.324 0.000 1.018 276 I CA -0.685 60.780 61.300 0.276 0.000 1.260 276 I CB 1.141 39.200 38.000 0.098 0.000 1.390 276 I HN 0.378 nan 8.210 nan 0.000 0.475 277 I N 7.125 127.866 120.570 0.284 0.000 2.307 277 I HA 0.284 4.454 4.170 0.001 0.000 0.287 277 I C 0.255 176.530 176.117 0.263 0.000 1.054 277 I CA -0.460 60.949 61.300 0.183 0.000 1.218 277 I CB 0.690 38.578 38.000 -0.187 0.000 1.398 277 I HN 0.477 nan 8.210 nan 0.000 0.475 278 M N 3.693 123.470 119.600 0.296 0.000 2.226 278 M HA 0.093 4.574 4.480 0.001 0.000 0.324 278 M C 1.699 178.078 176.300 0.132 0.000 1.112 278 M CA 0.081 55.532 55.300 0.251 0.000 1.176 278 M CB 0.534 33.277 32.600 0.240 0.000 1.430 278 M HN 0.658 nan 8.290 nan 0.000 0.462 279 S N 0.297 116.036 115.700 0.065 0.000 2.469 279 S HA -0.147 4.324 4.470 0.001 0.000 0.238 279 S C 0.736 175.380 174.600 0.073 0.000 0.998 279 S CA 1.266 59.488 58.200 0.037 0.000 0.957 279 S CB -0.521 62.678 63.200 -0.001 0.000 0.764 279 S HN 0.740 nan 8.310 nan 0.000 0.514 280 D N 1.468 121.926 120.400 0.097 0.000 2.342 280 D HA 0.402 5.043 4.640 0.001 0.000 0.221 280 D C 0.546 176.928 176.300 0.138 0.000 1.101 280 D CA 0.054 54.114 54.000 0.101 0.000 0.837 280 D CB -0.300 40.552 40.800 0.086 0.000 0.938 280 D HN 0.508 nan 8.370 nan 0.000 0.508 281 A N 0.490 123.416 122.820 0.176 0.000 2.425 281 A HA 0.135 4.456 4.320 0.001 0.000 0.242 281 A C 0.376 178.101 177.584 0.236 0.000 1.077 281 A CA -0.372 51.815 52.037 0.249 0.000 0.781 281 A CB 0.185 19.370 19.000 0.309 0.000 1.020 281 A HN 0.190 nan 8.150 nan 0.000 0.494 282 D N 2.174 122.749 120.400 0.291 0.000 2.368 282 D HA 0.041 4.682 4.640 0.001 0.000 0.268 282 D C 1.108 177.581 176.300 0.288 0.000 1.298 282 D CA -0.068 54.094 54.000 0.270 0.000 0.938 282 D CB 0.402 41.380 40.800 0.297 0.000 1.101 282 D HN 0.510 nan 8.370 nan 0.000 0.509 283 M N 4.499 124.223 119.600 0.206 0.000 2.115 283 M HA -0.221 4.259 4.480 0.001 0.000 0.258 283 M C 1.128 177.527 176.300 0.164 0.000 1.071 283 M CA 1.788 57.200 55.300 0.185 0.000 1.100 283 M CB -0.343 32.337 32.600 0.134 0.000 1.292 283 M HN 0.289 nan 8.290 nan 0.000 0.415 284 D N -0.765 119.725 120.400 0.150 0.000 2.104 284 D HA -0.241 4.400 4.640 0.001 0.000 0.194 284 D C 1.814 178.222 176.300 0.181 0.000 0.994 284 D CA 1.559 55.632 54.000 0.121 0.000 0.830 284 D CB -0.786 40.086 40.800 0.119 0.000 0.959 284 D HN 0.662 nan 8.370 nan 0.000 0.452 285 W N 1.704 123.047 121.300 0.071 0.000 2.333 285 W HA -0.244 4.417 4.660 0.001 0.000 0.316 285 W C 2.180 178.756 176.519 0.096 0.000 1.215 285 W CA 1.771 59.181 57.345 0.109 0.000 1.278 285 W CB -0.170 29.392 29.460 0.171 0.000 1.154 285 W HN -0.002 nan 8.180 nan 0.000 0.486 286 A N 0.255 123.131 122.820 0.094 0.000 1.940 286 A HA -0.190 4.131 4.320 0.001 0.000 0.219 286 A C 2.026 179.511 177.584 -0.165 0.000 1.176 286 A CA 2.203 54.091 52.037 -0.248 0.000 0.631 286 A CB -1.130 17.874 19.000 0.007 0.000 0.814 286 A HN 0.184 nan 8.150 nan 0.000 0.446 287 V N -0.265 119.615 119.914 -0.056 0.000 2.358 287 V HA -0.196 3.925 4.120 0.001 0.000 0.246 287 V C 2.602 178.581 176.094 -0.192 0.000 1.047 287 V CA 2.347 64.510 62.300 -0.229 0.000 1.035 287 V CB -0.571 31.074 31.823 -0.296 0.000 0.658 287 V HN 0.671 nan 8.190 nan 0.000 0.452 288 E N -0.187 119.907 120.200 -0.176 0.000 2.107 288 E HA -0.164 4.186 4.350 0.001 0.000 0.191 288 E C 2.283 178.792 176.600 -0.152 0.000 0.982 288 E CA 1.060 57.373 56.400 -0.145 0.000 0.809 288 E CB -0.184 29.431 29.700 -0.143 0.000 0.756 288 E HN 0.474 nan 8.360 nan 0.000 0.459 289 Q N -0.332 119.246 119.800 -0.370 0.000 2.119 289 Q HA 0.006 4.347 4.340 0.001 0.000 0.201 289 Q C 2.080 177.985 176.000 -0.158 0.000 0.972 289 Q CA 1.353 56.974 55.803 -0.303 0.000 0.847 289 Q CB -0.367 28.077 28.738 -0.491 0.000 0.903 289 Q HN 0.363 nan 8.270 nan 0.000 0.433 290 A N 0.056 122.749 122.820 -0.211 0.000 1.930 290 A HA -0.207 4.114 4.320 0.001 0.000 0.217 290 A C 1.912 179.468 177.584 -0.045 0.000 1.175 290 A CA 1.742 53.696 52.037 -0.137 0.000 0.627 290 A CB -0.671 18.375 19.000 0.076 0.000 0.815 290 A HN 0.444 nan 8.150 nan 0.000 0.443 291 H N -1.290 117.769 119.070 -0.018 0.000 2.270 291 H HA -0.157 4.399 4.556 0.001 0.000 0.299 291 H C 1.733 177.203 175.328 0.237 0.000 1.077 291 H CA 2.235 58.380 56.048 0.161 0.000 1.294 291 H CB -0.520 29.299 29.762 0.096 0.000 1.371 291 H HN 0.450 nan 8.280 nan 0.000 0.491 292 F N 0.793 120.768 119.950 0.041 0.000 2.091 292 F HA -0.290 4.238 4.527 0.001 0.000 0.299 292 F C 2.533 178.282 175.800 -0.085 0.000 1.103 292 F CA 1.736 59.738 58.000 0.003 0.000 1.228 292 F CB -0.603 38.371 39.000 -0.043 0.000 0.984 292 F HN 0.319 nan 8.300 nan 0.000 0.477 293 A N 0.258 122.872 122.820 -0.343 0.000 1.978 293 A HA -0.170 4.150 4.320 0.001 0.000 0.220 293 A C 2.147 179.403 177.584 -0.548 0.000 1.170 293 A CA 1.769 53.370 52.037 -0.727 0.000 0.636 293 A CB -0.818 17.414 19.000 -1.279 0.000 0.810 293 A HN 0.558 nan 8.150 nan 0.000 0.448 294 L N -2.404 118.548 121.223 -0.452 0.000 2.269 294 L HA 0.242 4.583 4.340 0.001 0.000 0.200 294 L C 1.917 178.491 176.870 -0.494 0.000 1.069 294 L CA 1.453 55.993 54.840 -0.500 0.000 0.804 294 L CB -0.752 40.906 42.059 -0.668 0.000 0.987 294 L HN 0.411 nan 8.230 nan 0.000 0.468 295 F N -0.600 119.169 119.950 -0.301 0.000 2.615 295 F HA -0.024 4.504 4.527 0.001 0.000 0.297 295 F C 1.157 176.849 175.800 -0.179 0.000 1.124 295 F CA -0.210 57.625 58.000 -0.276 0.000 1.451 295 F CB -0.184 38.536 39.000 -0.467 0.000 1.103 295 F HN -0.079 nan 8.300 nan 0.000 0.569 296 F N 2.306 122.150 119.950 -0.177 0.000 2.629 296 F HA -0.099 4.429 4.527 0.001 0.000 0.369 296 F C 1.400 177.124 175.800 -0.128 0.000 1.125 296 F CA 0.451 58.349 58.000 -0.170 0.000 1.330 296 F CB 0.054 38.774 39.000 -0.467 0.000 1.071 296 F HN 0.150 nan 8.300 nan 0.000 0.595 297 N N 3.807 121.911 118.700 -0.993 0.000 2.727 297 N HA -0.313 4.428 4.740 0.001 0.000 0.249 297 N C -0.156 175.115 175.510 -0.399 0.000 1.048 297 N CA 0.792 53.389 53.050 -0.754 0.000 0.714 297 N CB -0.549 37.489 38.487 -0.748 0.000 0.959 297 N HN 0.859 nan 8.380 nan 0.000 0.544 298 Q N -2.270 117.379 119.800 -0.252 0.000 2.461 298 Q HA -0.222 4.119 4.340 0.001 0.000 0.273 298 Q C 1.069 176.992 176.000 -0.128 0.000 1.163 298 Q CA 1.972 57.703 55.803 -0.121 0.000 0.929 298 Q CB -1.895 26.775 28.738 -0.112 0.000 1.334 298 Q HN 0.908 nan 8.270 nan 0.000 0.499 299 G N -1.088 107.608 108.800 -0.173 0.000 2.189 299 G HA2 -0.402 3.559 3.960 0.001 0.000 0.267 299 G HA3 -0.402 3.559 3.960 0.001 0.000 0.267 299 G C 0.151 174.795 174.900 -0.427 0.000 0.975 299 G CA 0.469 45.425 45.100 -0.239 0.000 0.644 299 G HN 0.482 nan 8.290 nan 0.000 0.537 300 Q N 0.095 119.578 119.800 -0.529 0.000 3.247 300 Q HA 0.448 4.789 4.340 0.001 0.000 0.326 300 Q C -0.148 175.258 176.000 -0.989 0.000 1.402 300 Q CA -0.004 55.157 55.803 -1.069 0.000 0.994 300 Q CB 0.116 28.564 28.738 -0.482 0.000 1.647 300 Q HN 0.457 nan 8.270 nan 0.000 0.523 301 C N -0.017 118.839 119.300 -0.739 0.000 2.482 301 C HA 0.201 4.662 4.460 0.001 0.000 0.317 301 C C 1.727 176.762 174.990 0.075 0.000 1.197 301 C CA -0.695 58.253 59.018 -0.116 0.000 1.432 301 C CB 1.698 29.515 27.740 0.128 0.000 2.062 301 C HN 0.746 nan 8.230 nan 0.000 0.471 302 S N 0.256 116.164 115.700 0.347 0.000 2.419 302 S HA -0.158 4.313 4.470 0.001 0.000 0.233 302 S C 1.261 176.007 174.600 0.244 0.000 1.016 302 S CA 1.587 59.994 58.200 0.344 0.000 0.974 302 S CB -0.571 62.791 63.200 0.270 0.000 0.786 302 S HN 1.026 nan 8.310 nan 0.000 0.492 303 C N 1.525 121.028 119.300 0.339 0.000 2.693 303 C HA 0.798 5.258 4.460 0.001 0.000 0.286 303 C C 1.190 176.423 174.990 0.404 0.000 1.277 303 C CA -1.330 57.936 59.018 0.412 0.000 1.705 303 C CB -2.143 25.998 27.740 0.668 0.000 1.879 303 C HN 0.606 nan 8.230 nan 0.000 0.607 304 A N 1.169 124.127 122.820 0.231 0.000 2.565 304 A HA 0.445 4.765 4.320 0.001 0.000 0.237 304 A C 1.149 178.804 177.584 0.118 0.000 1.053 304 A CA 0.792 52.898 52.037 0.114 0.000 0.755 304 A CB -0.134 18.836 19.000 -0.051 0.000 0.980 304 A HN 1.145 nan 8.150 nan 0.000 0.506 305 G N 1.559 110.322 108.800 -0.061 0.000 3.008 305 G HA2 0.330 4.291 3.960 0.001 0.000 0.272 305 G HA3 0.330 4.291 3.960 0.001 0.000 0.272 305 G C 0.880 175.705 174.900 -0.125 0.000 0.764 305 G CA 0.393 45.424 45.100 -0.115 0.000 2.029 305 G HN 1.174 nan 8.290 nan 0.000 0.587 306 S N 0.824 116.495 115.700 -0.049 0.000 2.575 306 S HA 0.197 4.668 4.470 0.001 0.000 0.215 306 S C 0.933 175.485 174.600 -0.079 0.000 0.966 306 S CA -0.386 57.759 58.200 -0.092 0.000 0.911 306 S CB 0.484 63.636 63.200 -0.080 0.000 0.780 306 S HN 0.410 nan 8.310 nan 0.000 0.514 307 R N 1.741 122.213 120.500 -0.046 0.000 2.407 307 R HA 0.339 4.680 4.340 0.001 0.000 0.298 307 R C -1.205 174.997 176.300 -0.163 0.000 1.166 307 R CA -0.130 55.880 56.100 -0.150 0.000 1.006 307 R CB 1.312 31.555 30.300 -0.095 0.000 1.145 307 R HN 0.091 nan 8.270 nan 0.000 0.538 308 T N 4.347 118.789 114.554 -0.185 0.000 2.863 308 T HA 0.235 4.586 4.350 0.001 0.000 0.299 308 T C -0.182 174.444 174.700 -0.124 0.000 0.973 308 T CA -0.064 61.987 62.100 -0.082 0.000 0.994 308 T CB -0.233 68.632 68.868 -0.006 0.000 0.961 308 T HN 0.198 nan 8.240 nan 0.000 0.552 309 F N 2.639 122.635 119.950 0.077 0.000 2.445 309 F HA 0.408 4.936 4.527 0.001 0.000 0.359 309 F C 0.406 176.375 175.800 0.281 0.000 1.101 309 F CA -0.633 57.480 58.000 0.189 0.000 1.177 309 F CB 0.760 39.784 39.000 0.041 0.000 1.110 309 F HN 0.163 nan 8.300 nan 0.000 0.522 310 V N 3.867 124.047 119.914 0.443 0.000 2.531 310 V HA 0.250 4.370 4.120 0.001 0.000 0.301 310 V C -0.144 175.884 176.094 -0.111 0.000 1.034 310 V CA -1.167 61.201 62.300 0.113 0.000 0.865 310 V CB 1.531 33.256 31.823 -0.163 0.000 0.995 310 V HN 0.662 nan 8.190 nan 0.000 0.424 311 Q N 2.507 122.023 119.800 -0.473 0.000 2.349 311 Q HA 0.010 4.351 4.340 0.001 0.000 0.287 311 Q C 1.477 177.279 176.000 -0.330 0.000 1.044 311 Q CA 0.515 55.808 55.803 -0.850 0.000 0.918 311 Q CB 0.806 29.187 28.738 -0.595 0.000 1.242 311 Q HN 0.923 nan 8.270 nan 0.000 0.405 312 E N 2.549 122.561 120.200 -0.313 0.000 2.118 312 E HA -0.304 4.047 4.350 0.001 0.000 0.195 312 E C 0.313 176.899 176.600 -0.022 0.000 0.992 312 E CA 1.612 57.938 56.400 -0.123 0.000 0.804 312 E CB 0.001 29.622 29.700 -0.131 0.000 0.741 312 E HN 0.664 nan 8.360 nan 0.000 0.458 313 D N 1.246 121.617 120.400 -0.049 0.000 2.218 313 D HA -0.101 4.540 4.640 0.001 0.000 0.204 313 D C 2.015 178.336 176.300 0.036 0.000 0.976 313 D CA 1.409 55.407 54.000 -0.003 0.000 0.853 313 D CB -0.040 40.752 40.800 -0.014 0.000 0.939 313 D HN 0.603 nan 8.370 nan 0.000 0.481 314 I N -3.148 117.446 120.570 0.039 0.000 4.025 314 I HA 0.163 4.334 4.170 0.001 0.000 0.336 314 I C 1.842 178.034 176.117 0.125 0.000 1.390 314 I CA -0.543 60.803 61.300 0.076 0.000 1.099 314 I CB -0.175 37.865 38.000 0.066 0.000 1.049 314 I HN -0.230 nan 8.210 nan 0.000 0.394 315 Y N 2.730 123.035 120.300 0.009 0.000 2.070 315 Y HA -0.282 4.268 4.550 0.001 0.000 0.280 315 Y C 2.118 178.085 175.900 0.111 0.000 1.148 315 Y CA 2.204 60.329 58.100 0.043 0.000 1.125 315 Y CB -0.048 38.415 38.460 0.004 0.000 0.975 315 Y HN 0.174 nan 8.280 nan 0.000 0.492 316 D N 0.127 120.635 120.400 0.181 0.000 2.104 316 D HA -0.227 4.414 4.640 0.001 0.000 0.194 316 D C 2.089 178.391 176.300 0.003 0.000 0.994 316 D CA 1.761 55.809 54.000 0.079 0.000 0.830 316 D CB -0.481 40.396 40.800 0.129 0.000 0.959 316 D HN 0.610 nan 8.370 nan 0.000 0.452 317 E N -0.471 119.755 120.200 0.042 0.000 2.051 317 E HA -0.194 4.157 4.350 0.001 0.000 0.192 317 E C 2.128 178.735 176.600 0.011 0.000 0.991 317 E CA 0.633 57.050 56.400 0.028 0.000 0.799 317 E CB -0.256 29.476 29.700 0.053 0.000 0.748 317 E HN 0.236 nan 8.360 nan 0.000 0.449 318 F N 0.821 120.708 119.950 -0.106 0.000 2.095 318 F HA -0.224 4.303 4.527 0.001 0.000 0.298 318 F C 2.129 177.822 175.800 -0.178 0.000 1.104 318 F CA 1.439 59.362 58.000 -0.127 0.000 1.232 318 F CB -0.233 38.694 39.000 -0.122 0.000 0.987 318 F HN -0.108 nan 8.300 nan 0.000 0.475 319 V N 0.351 120.213 119.914 -0.087 0.000 2.407 319 V HA -0.313 3.807 4.120 0.001 0.000 0.248 319 V C 2.331 178.324 176.094 -0.168 0.000 1.055 319 V CA 2.271 64.459 62.300 -0.187 0.000 1.049 319 V CB -0.724 30.891 31.823 -0.347 0.000 0.662 319 V HN 0.445 nan 8.190 nan 0.000 0.455 320 E N 0.164 120.284 120.200 -0.133 0.000 2.051 320 E HA -0.235 4.116 4.350 0.001 0.000 0.192 320 E C 2.470 178.983 176.600 -0.144 0.000 0.991 320 E CA 1.329 57.665 56.400 -0.105 0.000 0.799 320 E CB -0.065 29.595 29.700 -0.066 0.000 0.748 320 E HN 0.508 nan 8.360 nan 0.000 0.449 321 R N -0.059 120.326 120.500 -0.192 0.000 2.120 321 R HA -0.048 4.293 4.340 0.001 0.000 0.234 321 R C 2.590 178.713 176.300 -0.295 0.000 1.123 321 R CA 1.309 57.270 56.100 -0.231 0.000 0.975 321 R CB -0.119 30.032 30.300 -0.249 0.000 0.866 321 R HN 0.076 nan 8.270 nan 0.000 0.446 322 S N 0.222 115.689 115.700 -0.387 0.000 2.368 322 S HA -0.077 4.393 4.470 0.001 0.000 0.224 322 S C 2.043 176.558 174.600 -0.143 0.000 1.029 322 S CA 1.023 59.031 58.200 -0.319 0.000 0.988 322 S CB -0.010 62.973 63.200 -0.362 0.000 0.838 322 S HN 0.072 nan 8.310 nan 0.000 0.462 323 V N 1.915 121.753 119.914 -0.125 0.000 2.453 323 V HA -0.126 3.994 4.120 0.001 0.000 0.247 323 V C 2.595 178.626 176.094 -0.104 0.000 1.048 323 V CA 1.475 63.725 62.300 -0.082 0.000 1.049 323 V CB -1.126 30.655 31.823 -0.069 0.000 0.672 323 V HN 0.513 nan 8.190 nan 0.000 0.457 324 A N 0.537 123.282 122.820 -0.125 0.000 1.908 324 A HA -0.292 4.029 4.320 0.001 0.000 0.218 324 A C 2.309 179.793 177.584 -0.167 0.000 1.181 324 A CA 2.396 54.356 52.037 -0.129 0.000 0.627 324 A CB -0.515 18.410 19.000 -0.125 0.000 0.818 324 A HN 0.474 nan 8.150 nan 0.000 0.445 325 R N -0.048 120.319 120.500 -0.221 0.000 2.073 325 R HA 0.078 4.419 4.340 0.001 0.000 0.229 325 R C 2.108 178.179 176.300 -0.381 0.000 1.120 325 R CA 1.799 57.689 56.100 -0.350 0.000 0.967 325 R CB -0.809 29.213 30.300 -0.465 0.000 0.862 325 R HN 0.372 nan 8.270 nan 0.000 0.436 326 A N 0.538 123.224 122.820 -0.223 0.000 1.969 326 A HA -0.091 4.229 4.320 0.001 0.000 0.218 326 A C 1.933 179.405 177.584 -0.185 0.000 1.169 326 A CA 1.394 53.312 52.037 -0.198 0.000 0.635 326 A CB -0.346 18.610 19.000 -0.074 0.000 0.810 326 A HN 0.348 nan 8.150 nan 0.000 0.445 327 K N 0.238 120.553 120.400 -0.142 0.000 2.148 327 K HA -0.097 4.224 4.320 0.001 0.000 0.204 327 K C 2.188 178.718 176.600 -0.116 0.000 1.050 327 K CA 1.491 57.711 56.287 -0.113 0.000 0.942 327 K CB -0.107 32.338 32.500 -0.092 0.000 0.724 327 K HN 0.655 nan 8.250 nan 0.000 0.446 328 S N 0.551 116.166 115.700 -0.142 0.000 2.528 328 S HA -0.033 4.438 4.470 0.001 0.000 0.219 328 S C 0.890 175.415 174.600 -0.125 0.000 0.985 328 S CA -0.237 57.887 58.200 -0.126 0.000 0.914 328 S CB -0.065 63.053 63.200 -0.136 0.000 0.776 328 S HN 0.138 nan 8.310 nan 0.000 0.526 329 R N 1.941 122.349 120.500 -0.154 0.000 2.446 329 R HA 0.206 4.547 4.340 0.001 0.000 0.314 329 R C -1.013 175.239 176.300 -0.081 0.000 1.003 329 R CA -0.105 55.924 56.100 -0.119 0.000 1.018 329 R CB 0.095 30.299 30.300 -0.159 0.000 0.945 329 R HN 0.175 nan 8.270 nan 0.000 0.419 330 V N 6.507 126.392 119.914 -0.049 0.000 2.470 330 V HA 0.091 4.211 4.120 0.001 0.000 0.276 330 V C 0.121 176.206 176.094 -0.015 0.000 1.040 330 V CA -0.192 62.086 62.300 -0.036 0.000 1.008 330 V CB 1.270 33.077 31.823 -0.027 0.000 0.990 330 V HN 0.487 nan 8.190 nan 0.000 0.477 331 V N 5.073 124.977 119.914 -0.017 0.000 2.483 331 V HA 1.004 5.124 4.120 0.001 0.000 0.295 331 V C 0.660 176.720 176.094 -0.056 0.000 1.035 331 V CA 0.595 62.911 62.300 0.026 0.000 0.896 331 V CB 1.054 32.916 31.823 0.065 0.000 0.986 331 V HN 1.132 nan 8.190 nan 0.000 0.447 332 G N 3.380 112.161 108.800 -0.032 0.000 2.399 332 G HA2 0.097 4.057 3.960 0.001 0.000 0.256 332 G HA3 0.097 4.057 3.960 0.001 0.000 0.256 332 G C -0.964 173.923 174.900 -0.021 0.000 1.236 332 G CA -0.768 44.190 45.100 -0.236 0.000 0.914 332 G HN 0.621 nan 8.290 nan 0.000 0.482 333 N N 2.219 120.892 118.700 -0.045 0.000 2.414 333 N HA 0.185 4.926 4.740 0.001 0.000 0.268 333 N C -0.748 174.823 175.510 0.102 0.000 1.286 333 N CA -1.242 51.861 53.050 0.088 0.000 0.896 333 N CB 1.399 39.924 38.487 0.064 0.000 1.093 333 N HN 0.131 nan 8.380 nan 0.000 0.480 334 P HA -0.115 nan 4.420 nan 0.000 0.225 334 P C 0.730 177.944 177.300 -0.143 0.000 1.148 334 P CA 1.150 64.208 63.100 -0.070 0.000 0.779 334 P CB -0.029 31.550 31.700 -0.201 0.000 0.780 335 F N -0.234 119.749 119.950 0.054 0.000 2.743 335 F HA 0.092 4.620 4.527 0.001 0.000 0.297 335 F C 1.190 177.000 175.800 0.018 0.000 1.131 335 F CA -0.207 57.804 58.000 0.019 0.000 1.426 335 F CB -0.130 38.834 39.000 -0.060 0.000 1.116 335 F HN -0.143 nan 8.300 nan 0.000 0.583 336 D N 0.024 120.522 120.400 0.163 0.000 2.308 336 D HA -0.001 4.640 4.640 0.001 0.000 0.251 336 D C 1.262 177.615 176.300 0.087 0.000 1.127 336 D CA 0.195 54.253 54.000 0.097 0.000 0.876 336 D CB 1.384 42.215 40.800 0.052 0.000 1.176 336 D HN 0.077 nan 8.370 nan 0.000 0.446 337 S N 3.482 119.232 115.700 0.083 0.000 2.474 337 S HA -0.135 4.336 4.470 0.001 0.000 0.235 337 S C 1.408 176.038 174.600 0.051 0.000 0.997 337 S CA 0.679 58.927 58.200 0.079 0.000 0.949 337 S CB -0.133 63.110 63.200 0.071 0.000 0.766 337 S HN 0.527 nan 8.310 nan 0.000 0.517 338 K N 0.876 121.297 120.400 0.035 0.000 2.296 338 K HA 0.082 4.402 4.320 0.001 0.000 0.200 338 K C 0.150 176.760 176.600 0.017 0.000 1.048 338 K CA 0.537 56.835 56.287 0.018 0.000 0.966 338 K CB -0.222 32.280 32.500 0.004 0.000 0.754 338 K HN 0.286 nan 8.250 nan 0.000 0.466 339 T N 2.053 116.622 114.554 0.025 0.000 2.817 339 T HA 0.027 4.378 4.350 0.001 0.000 0.295 339 T C 0.770 175.488 174.700 0.030 0.000 0.958 339 T CA 0.298 62.413 62.100 0.025 0.000 1.157 339 T CB 0.873 69.763 68.868 0.036 0.000 0.898 339 T HN 0.205 nan 8.240 nan 0.000 0.536 340 E N 2.125 122.342 120.200 0.028 0.000 2.307 340 E HA 0.055 4.406 4.350 0.001 0.000 0.195 340 E C 0.783 177.398 176.600 0.026 0.000 0.975 340 E CA 0.119 56.543 56.400 0.039 0.000 0.878 340 E CB 0.599 30.329 29.700 0.050 0.000 0.845 340 E HN 0.543 nan 8.360 nan 0.000 0.488 341 Q N 0.583 120.402 119.800 0.032 0.000 2.310 341 Q HA 0.435 4.776 4.340 0.001 0.000 0.270 341 Q C -0.519 175.545 176.000 0.107 0.000 1.025 341 Q CA -0.630 55.197 55.803 0.039 0.000 0.772 341 Q CB 1.696 30.461 28.738 0.045 0.000 1.253 341 Q HN 0.130 nan 8.270 nan 0.000 0.450 342 G N 3.134 111.963 108.800 0.048 0.000 2.531 342 G HA2 0.579 4.540 3.960 0.001 0.000 0.281 342 G HA3 0.579 4.540 3.960 0.001 0.000 0.281 342 G C -2.534 172.283 174.900 -0.138 0.000 1.382 342 G CA -1.109 44.032 45.100 0.068 0.000 1.045 342 G HN 0.555 nan 8.290 nan 0.000 0.533 343 P HA 0.182 nan 4.420 nan 0.000 0.276 343 P C -0.643 176.474 177.300 -0.305 0.000 1.252 343 P CA -0.388 62.191 63.100 -0.868 0.000 0.802 343 P CB 0.844 31.848 31.700 -1.160 0.000 1.035 344 Q N 0.088 119.810 119.800 -0.129 0.000 2.471 344 Q HA 0.074 4.414 4.340 0.001 0.000 0.223 344 Q C 1.298 177.215 176.000 -0.138 0.000 1.045 344 Q CA -0.439 55.329 55.803 -0.058 0.000 0.956 344 Q CB 0.043 28.815 28.738 0.057 0.000 1.249 344 Q HN 0.183 nan 8.270 nan 0.000 0.549 345 V N 0.170 119.922 119.914 -0.270 0.000 2.427 345 V HA -0.180 3.940 4.120 0.001 0.000 0.248 345 V C 0.269 176.105 176.094 -0.431 0.000 1.051 345 V CA 2.524 64.569 62.300 -0.424 0.000 1.048 345 V CB -0.084 31.182 31.823 -0.929 0.000 0.666 345 V HN 0.968 nan 8.190 nan 0.000 0.456 346 D N -3.185 116.867 120.400 -0.580 0.000 2.759 346 D HA 0.113 4.753 4.640 0.001 0.000 0.321 346 D C 0.661 176.249 176.300 -1.188 0.000 1.267 346 D CA -0.044 53.470 54.000 -0.810 0.000 0.933 346 D CB 0.723 41.199 40.800 -0.541 0.000 1.431 346 D HN -0.017 nan 8.370 nan 0.000 0.504 347 E N -0.692 118.771 120.200 -1.229 0.000 2.107 347 E HA -0.123 4.227 4.350 0.001 0.000 0.191 347 E C 1.160 177.607 176.600 -0.256 0.000 0.982 347 E CA 1.496 57.439 56.400 -0.762 0.000 0.809 347 E CB -0.075 29.415 29.700 -0.350 0.000 0.756 347 E HN 0.488 nan 8.360 nan 0.000 0.459 348 T N 1.190 115.593 114.554 -0.253 0.000 2.684 348 T HA -0.185 4.166 4.350 0.001 0.000 0.267 348 T C 1.780 176.428 174.700 -0.087 0.000 1.036 348 T CA 1.378 63.395 62.100 -0.138 0.000 1.148 348 T CB -0.162 68.619 68.868 -0.145 0.000 0.863 348 T HN 0.178 nan 8.240 nan 0.000 0.436 349 Q N 0.085 119.808 119.800 -0.129 0.000 2.016 349 Q HA -0.014 4.327 4.340 0.001 0.000 0.200 349 Q C 2.075 178.101 176.000 0.044 0.000 0.978 349 Q CA 1.081 56.869 55.803 -0.025 0.000 0.833 349 Q CB -0.899 27.791 28.738 -0.079 0.000 0.895 349 Q HN 0.505 nan 8.270 nan 0.000 0.427 350 F N 2.305 122.153 119.950 -0.169 0.000 2.048 350 F HA -0.342 4.186 4.527 0.001 0.000 0.296 350 F C 1.988 177.777 175.800 -0.018 0.000 1.109 350 F CA 1.926 59.878 58.000 -0.080 0.000 1.214 350 F CB -0.061 38.869 39.000 -0.116 0.000 0.963 350 F HN 0.009 nan 8.300 nan 0.000 0.491 351 K N 0.235 120.650 120.400 0.026 0.000 2.103 351 K HA -0.153 4.168 4.320 0.001 0.000 0.204 351 K C 2.130 178.684 176.600 -0.077 0.000 1.052 351 K CA 1.255 57.504 56.287 -0.063 0.000 0.945 351 K CB -0.534 31.975 32.500 0.014 0.000 0.722 351 K HN 0.359 nan 8.250 nan 0.000 0.443 352 K N 1.190 121.569 120.400 -0.035 0.000 2.057 352 K HA -0.057 4.264 4.320 0.001 0.000 0.207 352 K C 2.157 178.778 176.600 0.035 0.000 1.049 352 K CA 0.942 57.206 56.287 -0.039 0.000 0.931 352 K CB -0.058 32.462 32.500 0.034 0.000 0.714 352 K HN -0.014 nan 8.250 nan 0.000 0.440 353 I N 1.208 121.839 120.570 0.103 0.000 2.179 353 I HA -0.306 3.864 4.170 0.001 0.000 0.242 353 I C 2.186 178.348 176.117 0.076 0.000 1.088 353 I CA 1.095 62.492 61.300 0.161 0.000 1.357 353 I CB -0.259 37.801 38.000 0.100 0.000 1.051 353 I HN 0.178 nan 8.210 nan 0.000 0.409 354 L N 0.497 121.676 121.223 -0.073 0.000 2.042 354 L HA -0.185 4.155 4.340 0.001 0.000 0.210 354 L C 2.697 179.547 176.870 -0.033 0.000 1.076 354 L CA 1.671 56.451 54.840 -0.100 0.000 0.749 354 L CB -1.292 40.626 42.059 -0.235 0.000 0.893 354 L HN 0.355 nan 8.230 nan 0.000 0.432 355 G N -1.142 107.619 108.800 -0.066 0.000 2.421 355 G HA2 -0.283 3.678 3.960 0.001 0.000 0.216 355 G HA3 -0.283 3.678 3.960 0.001 0.000 0.216 355 G C 1.408 176.269 174.900 -0.066 0.000 1.171 355 G CA 0.587 45.626 45.100 -0.102 0.000 0.775 355 G HN 0.309 nan 8.290 nan 0.000 0.543 356 Y N 0.488 120.795 120.300 0.012 0.000 2.224 356 Y HA -0.057 4.494 4.550 0.001 0.000 0.289 356 Y C 2.778 178.703 175.900 0.041 0.000 1.146 356 Y CA 0.628 58.739 58.100 0.019 0.000 1.182 356 Y CB -0.060 38.420 38.460 0.033 0.000 0.983 356 Y HN 0.132 nan 8.280 nan 0.000 0.524 357 I N 0.144 120.865 120.570 0.251 0.000 2.179 357 I HA -0.357 3.814 4.170 0.001 0.000 0.242 357 I C 1.712 177.975 176.117 0.243 0.000 1.088 357 I CA 1.773 63.258 61.300 0.309 0.000 1.357 357 I CB -0.513 37.624 38.000 0.229 0.000 1.051 357 I HN 0.311 nan 8.210 nan 0.000 0.409 358 N N -0.204 118.572 118.700 0.128 0.000 2.166 358 N HA -0.160 4.581 4.740 0.001 0.000 0.186 358 N C 1.691 177.235 175.510 0.057 0.000 1.019 358 N CA 1.652 54.752 53.050 0.083 0.000 0.856 358 N CB -0.084 38.422 38.487 0.033 0.000 0.993 358 N HN 0.295 nan 8.380 nan 0.000 0.426 359 T N -0.149 114.430 114.554 0.041 0.000 2.674 359 T HA -0.106 4.244 4.350 0.001 0.000 0.265 359 T C 2.028 176.704 174.700 -0.040 0.000 1.039 359 T CA 1.377 63.484 62.100 0.013 0.000 1.150 359 T CB -0.787 68.106 68.868 0.042 0.000 0.864 359 T HN 0.426 nan 8.240 nan 0.000 0.427 360 G N 1.717 110.445 108.800 -0.120 0.000 2.476 360 G HA2 -0.265 3.696 3.960 0.001 0.000 0.218 360 G HA3 -0.265 3.696 3.960 0.001 0.000 0.218 360 G C 1.617 176.361 174.900 -0.261 0.000 1.164 360 G CA 0.990 45.823 45.100 -0.445 0.000 0.768 360 G HN 0.444 nan 8.290 nan 0.000 0.560 361 K N -0.417 120.005 120.400 0.035 0.000 2.026 361 K HA -0.121 4.199 4.320 0.001 0.000 0.208 361 K C 2.603 179.239 176.600 0.059 0.000 1.048 361 K CA 1.432 57.811 56.287 0.153 0.000 0.929 361 K CB -0.185 32.431 32.500 0.194 0.000 0.713 361 K HN 0.217 nan 8.250 nan 0.000 0.439 362 Q N 1.581 121.400 119.800 0.032 0.000 2.124 362 Q HA -0.149 4.192 4.340 0.001 0.000 0.202 362 Q C 1.058 177.059 176.000 0.001 0.000 0.977 362 Q CA 1.661 57.474 55.803 0.017 0.000 0.850 362 Q CB 0.054 28.799 28.738 0.012 0.000 0.901 362 Q HN 0.301 nan 8.270 nan 0.000 0.429 363 E N -1.570 118.616 120.200 -0.024 0.000 2.511 363 E HA 0.123 4.474 4.350 0.001 0.000 0.196 363 E C 0.454 177.037 176.600 -0.028 0.000 1.066 363 E CA 0.385 56.766 56.400 -0.031 0.000 0.871 363 E CB 0.045 29.716 29.700 -0.049 0.000 0.863 363 E HN 0.555 nan 8.360 nan 0.000 0.520 364 G N 1.007 109.799 108.800 -0.013 0.000 2.159 364 G HA2 -0.280 3.681 3.960 0.001 0.000 0.227 364 G HA3 -0.280 3.681 3.960 0.001 0.000 0.227 364 G C 0.363 175.276 174.900 0.021 0.000 0.986 364 G CA -0.069 45.039 45.100 0.013 0.000 0.651 364 G HN 0.450 nan 8.290 nan 0.000 0.523 365 A N -0.030 122.776 122.820 -0.022 0.000 2.445 365 A HA 0.595 4.916 4.320 0.001 0.000 0.242 365 A C 0.654 178.374 177.584 0.227 0.000 1.075 365 A CA 0.728 52.778 52.037 0.020 0.000 0.777 365 A CB 0.379 19.224 19.000 -0.259 0.000 1.013 365 A HN 0.574 nan 8.150 nan 0.000 0.493 366 K N 1.973 122.539 120.400 0.277 0.000 2.273 366 K HA 0.307 4.627 4.320 0.001 0.000 0.287 366 K C -0.816 175.955 176.600 0.285 0.000 1.089 366 K CA -0.475 55.957 56.287 0.242 0.000 0.909 366 K CB 0.146 32.747 32.500 0.168 0.000 1.123 366 K HN 0.555 nan 8.250 nan 0.000 0.473 367 L N 6.435 127.782 121.223 0.206 0.000 2.433 367 L HA 0.086 4.427 4.340 0.001 0.000 0.275 367 L C 0.231 177.050 176.870 -0.085 0.000 1.128 367 L CA 0.583 55.367 54.840 -0.093 0.000 0.875 367 L CB 0.414 42.428 42.059 -0.074 0.000 1.171 367 L HN 0.803 nan 8.230 nan 0.000 0.463 368 L N 4.617 125.759 121.223 -0.136 0.000 2.408 368 L HA 0.213 4.554 4.340 0.001 0.000 0.215 368 L C 0.505 177.326 176.870 -0.081 0.000 1.081 368 L CA 0.273 55.073 54.840 -0.067 0.000 0.840 368 L CB 0.037 42.075 42.059 -0.035 0.000 1.002 368 L HN 0.818 nan 8.230 nan 0.000 0.468 369 C N -3.332 115.894 119.300 -0.124 0.000 3.295 369 C HA 0.766 5.227 4.460 0.001 0.000 0.341 369 C C 0.805 175.726 174.990 -0.115 0.000 1.418 369 C CA -0.559 58.402 59.018 -0.096 0.000 1.240 369 C CB 0.803 28.502 27.740 -0.069 0.000 1.562 369 C HN 0.601 nan 8.230 nan 0.000 0.457 370 G N 0.511 109.266 108.800 -0.076 0.000 2.582 370 G HA2 0.324 4.284 3.960 0.001 0.000 0.288 370 G HA3 0.324 4.284 3.960 0.001 0.000 0.288 370 G C 1.192 176.046 174.900 -0.076 0.000 1.247 370 G CA 2.341 47.406 45.100 -0.059 0.000 0.972 370 G HN 3.304 nan 8.290 nan 0.000 0.557 371 G N -2.720 106.040 108.800 -0.065 0.000 2.260 371 G HA2 0.508 4.468 3.960 0.001 0.000 0.179 371 G HA3 0.508 4.468 3.960 0.001 0.000 0.179 371 G C 1.332 176.224 174.900 -0.013 0.000 1.002 371 G CA 0.899 45.965 45.100 -0.057 0.000 0.677 371 G HN 2.638 nan 8.290 nan 0.000 0.486 372 G N -0.810 107.985 108.800 -0.009 0.000 2.731 372 G HA2 0.614 4.575 3.960 0.001 0.000 0.309 372 G HA3 0.614 4.575 3.960 0.001 0.000 0.309 372 G C -0.452 174.453 174.900 0.008 0.000 1.273 372 G CA -0.513 44.581 45.100 -0.011 0.000 0.798 372 G HN 0.622 nan 8.290 nan 0.000 0.509 373 I N 1.302 121.888 120.570 0.028 0.000 2.813 373 I HA 0.258 4.429 4.170 0.001 0.000 0.287 373 I C 1.456 177.654 176.117 0.135 0.000 1.196 373 I CA 0.327 61.704 61.300 0.129 0.000 1.421 373 I CB 1.536 39.663 38.000 0.212 0.000 1.365 373 I HN 0.577 nan 8.210 nan 0.000 0.591 374 A N 4.714 127.652 122.820 0.197 0.000 2.288 374 A HA 0.671 4.991 4.320 0.001 0.000 0.216 374 A C 0.691 178.319 177.584 0.073 0.000 1.199 374 A CA 0.565 52.677 52.037 0.125 0.000 0.891 374 A CB 0.237 19.326 19.000 0.147 0.000 0.923 374 A HN 0.810 nan 8.150 nan 0.000 0.500 375 A N -1.098 121.803 122.820 0.135 0.000 2.612 375 A HA 0.545 4.866 4.320 0.001 0.000 0.293 375 A C -0.525 177.113 177.584 0.090 0.000 1.075 375 A CA -0.221 51.841 52.037 0.041 0.000 0.680 375 A CB 0.404 19.342 19.000 -0.103 0.000 1.279 375 A HN -0.066 nan 8.150 nan 0.000 0.411 376 D N -0.134 120.282 120.400 0.027 0.000 2.277 376 D HA 0.023 4.663 4.640 0.001 0.000 0.208 376 D C 0.547 176.841 176.300 -0.011 0.000 0.962 376 D CA 1.169 55.184 54.000 0.025 0.000 0.865 376 D CB 0.347 41.148 40.800 0.002 0.000 0.939 376 D HN 0.461 nan 8.370 nan 0.000 0.510 377 R N -0.616 119.869 120.500 -0.026 0.000 2.621 377 R HA 0.481 4.822 4.340 0.001 0.000 0.292 377 R C -0.063 176.217 176.300 -0.033 0.000 0.969 377 R CA -0.038 56.017 56.100 -0.076 0.000 0.887 377 R CB 1.811 32.070 30.300 -0.067 0.000 1.180 377 R HN 0.081 nan 8.270 nan 0.000 0.450 378 G N 1.812 110.445 108.800 -0.278 0.000 2.757 378 G HA2 -0.277 3.683 3.960 0.001 0.000 0.638 378 G HA3 -0.277 3.683 3.960 0.001 0.000 0.638 378 G C -0.985 173.474 174.900 -0.734 0.000 1.344 378 G CA -0.454 44.371 45.100 -0.458 0.000 0.855 378 G HN 0.642 nan 8.290 nan 0.000 0.537 379 Y N -0.159 119.826 120.300 -0.526 0.000 2.813 379 Y HA 0.521 5.071 4.550 0.001 0.000 0.378 379 Y C 0.627 176.414 175.900 -0.188 0.000 1.023 379 Y CA -0.712 57.009 58.100 -0.633 0.000 1.567 379 Y CB 0.062 38.229 38.460 -0.488 0.000 1.492 379 Y HN 0.332 nan 8.280 nan 0.000 0.533 380 F N 1.559 121.624 119.950 0.192 0.000 2.410 380 F HA 0.465 4.992 4.527 0.001 0.000 0.348 380 F C 0.178 176.168 175.800 0.318 0.000 1.106 380 F CA -0.715 57.413 58.000 0.213 0.000 1.163 380 F CB 0.665 39.713 39.000 0.080 0.000 1.129 380 F HN 0.021 nan 8.300 nan 0.000 0.516 381 I N 2.723 123.507 120.570 0.357 0.000 2.509 381 I HA 0.236 4.407 4.170 0.001 0.000 0.293 381 I C -0.546 175.664 176.117 0.155 0.000 1.020 381 I CA -1.012 60.414 61.300 0.210 0.000 1.088 381 I CB 1.985 40.057 38.000 0.119 0.000 1.267 381 I HN 0.516 nan 8.210 nan 0.000 0.430 382 Q N 6.035 125.896 119.800 0.101 0.000 2.337 382 Q HA 0.165 4.506 4.340 0.001 0.000 0.270 382 Q C -2.298 173.741 176.000 0.066 0.000 1.002 382 Q CA -1.556 54.283 55.803 0.060 0.000 0.888 382 Q CB 0.028 28.781 28.738 0.025 0.000 1.222 382 Q HN 0.241 nan 8.270 nan 0.000 0.400 383 P HA -0.027 nan 4.420 nan 0.000 0.263 383 P C -1.034 176.333 177.300 0.111 0.000 1.195 383 P CA 0.415 63.566 63.100 0.085 0.000 0.762 383 P CB 0.634 32.173 31.700 -0.268 0.000 0.799 384 T N 2.991 117.674 114.554 0.214 0.000 2.807 384 T HA 0.464 4.814 4.350 0.001 0.000 0.279 384 T C -0.453 174.259 174.700 0.019 0.000 0.993 384 T CA -0.423 61.689 62.100 0.019 0.000 0.970 384 T CB 0.998 69.834 68.868 -0.053 0.000 0.950 384 T HN -0.043 nan 8.240 nan 0.000 0.441 385 V N 3.853 123.695 119.914 -0.121 0.000 2.487 385 V HA 0.536 4.656 4.120 0.001 0.000 0.298 385 V C -1.002 174.958 176.094 -0.222 0.000 1.028 385 V CA -0.911 61.349 62.300 -0.065 0.000 0.860 385 V CB 1.285 33.123 31.823 0.025 0.000 0.991 385 V HN 0.838 nan 8.190 nan 0.000 0.427 386 F N 2.429 122.403 119.950 0.040 0.000 2.427 386 F HA 0.743 5.270 4.527 0.001 0.000 0.346 386 F C 0.949 176.783 175.800 0.057 0.000 1.120 386 F CA -0.303 57.721 58.000 0.040 0.000 1.033 386 F CB 1.992 41.007 39.000 0.025 0.000 1.126 386 F HN 0.610 nan 8.300 nan 0.000 0.462 387 G N 0.953 109.914 108.800 0.269 0.000 2.461 387 G HA2 0.370 4.330 3.960 0.001 0.000 0.329 387 G HA3 0.370 4.330 3.960 0.001 0.000 0.329 387 G C -0.504 174.546 174.900 0.251 0.000 1.170 387 G CA -0.570 44.683 45.100 0.256 0.000 0.935 387 G HN 0.709 nan 8.290 nan 0.000 0.492 388 D N -1.179 119.389 120.400 0.279 0.000 2.837 388 D HA -0.167 4.473 4.640 0.001 0.000 0.230 388 D C 0.701 177.048 176.300 0.078 0.000 1.152 388 D CA 0.680 54.760 54.000 0.133 0.000 0.736 388 D CB -1.362 39.500 40.800 0.103 0.000 1.084 388 D HN 0.233 nan 8.370 nan 0.000 0.429 389 V N 0.765 120.727 119.914 0.079 0.000 2.715 389 V HA 0.037 4.157 4.120 0.001 0.000 0.299 389 V C 0.891 176.980 176.094 -0.008 0.000 1.054 389 V CA 0.251 62.557 62.300 0.011 0.000 1.077 389 V CB 1.547 33.362 31.823 -0.014 0.000 0.972 389 V HN 0.037 nan 8.190 nan 0.000 0.484 390 Q N 2.034 121.825 119.800 -0.015 0.000 2.306 390 Q HA 0.331 4.672 4.340 0.001 0.000 0.265 390 Q C 0.393 176.397 176.000 0.007 0.000 1.022 390 Q CA -0.777 55.028 55.803 0.004 0.000 0.853 390 Q CB 1.625 30.367 28.738 0.007 0.000 1.327 390 Q HN 0.660 nan 8.270 nan 0.000 0.449 391 D N 1.376 121.801 120.400 0.041 0.000 2.190 391 D HA -0.135 4.505 4.640 0.001 0.000 0.200 391 D C 1.495 177.815 176.300 0.035 0.000 0.992 391 D CA 1.722 55.757 54.000 0.058 0.000 0.854 391 D CB -0.027 40.829 40.800 0.093 0.000 0.936 391 D HN 0.829 nan 8.370 nan 0.000 0.462 392 G N -0.421 108.392 108.800 0.023 0.000 2.650 392 G HA2 -0.013 3.948 3.960 0.001 0.000 0.214 392 G HA3 -0.013 3.948 3.960 0.001 0.000 0.214 392 G C 0.691 175.593 174.900 0.004 0.000 1.136 392 G CA -0.185 44.924 45.100 0.015 0.000 0.789 392 G HN 0.175 nan 8.290 nan 0.000 0.536 393 M N 0.800 120.394 119.600 -0.011 0.000 2.238 393 M HA 0.154 4.634 4.480 0.001 0.000 0.347 393 M C 1.787 178.073 176.300 -0.023 0.000 1.173 393 M CA -0.158 55.123 55.300 -0.031 0.000 1.147 393 M CB 1.003 33.561 32.600 -0.070 0.000 1.547 393 M HN -0.086 nan 8.290 nan 0.000 0.455 394 T N 2.710 117.259 114.554 -0.009 0.000 2.665 394 T HA -0.162 4.189 4.350 0.001 0.000 0.268 394 T C 1.518 176.216 174.700 -0.003 0.000 1.035 394 T CA 1.923 64.041 62.100 0.030 0.000 1.151 394 T CB -0.494 68.423 68.868 0.082 0.000 0.862 394 T HN 0.787 nan 8.240 nan 0.000 0.438 395 I N -0.498 120.033 120.570 -0.064 0.000 3.083 395 I HA 0.189 4.359 4.170 0.001 0.000 0.273 395 I C 2.186 178.232 176.117 -0.119 0.000 1.297 395 I CA 0.875 62.094 61.300 -0.135 0.000 1.452 395 I CB -0.370 37.498 38.000 -0.218 0.000 1.078 395 I HN 0.096 nan 8.210 nan 0.000 0.484 396 A N 0.849 123.623 122.820 -0.077 0.000 2.220 396 A HA 0.202 4.522 4.320 0.001 0.000 0.211 396 A C 2.183 179.769 177.584 0.002 0.000 1.176 396 A CA 0.122 52.129 52.037 -0.049 0.000 0.834 396 A CB -0.016 18.957 19.000 -0.044 0.000 0.868 396 A HN 0.392 nan 8.150 nan 0.000 0.488 397 K N -0.264 120.143 120.400 0.012 0.000 2.306 397 K HA 0.154 4.475 4.320 0.001 0.000 0.200 397 K C -0.124 176.537 176.600 0.101 0.000 1.083 397 K CA 0.286 56.609 56.287 0.062 0.000 0.959 397 K CB 0.483 33.013 32.500 0.050 0.000 0.994 397 K HN 0.417 nan 8.250 nan 0.000 0.492 398 E N 1.848 122.070 120.200 0.035 0.000 2.231 398 E HA 0.082 4.433 4.350 0.001 0.000 0.277 398 E C -0.962 175.569 176.600 -0.116 0.000 0.999 398 E CA -0.299 56.122 56.400 0.035 0.000 0.827 398 E CB 1.702 31.440 29.700 0.064 0.000 1.101 398 E HN 0.076 nan 8.360 nan 0.000 0.393 399 E N 2.889 123.072 120.200 -0.028 0.000 2.351 399 E HA -0.019 4.331 4.350 0.001 0.000 0.266 399 E C 0.211 176.696 176.600 -0.191 0.000 1.031 399 E CA 0.080 56.420 56.400 -0.100 0.000 0.911 399 E CB 0.482 30.133 29.700 -0.082 0.000 0.986 399 E HN 0.523 nan 8.360 nan 0.000 0.446 400 I N 4.361 124.807 120.570 -0.206 0.000 2.867 400 I HA -0.017 4.153 4.170 0.001 0.000 0.265 400 I C 0.474 176.691 176.117 0.166 0.000 1.162 400 I CA -0.030 61.143 61.300 -0.212 0.000 1.471 400 I CB 0.181 38.036 38.000 -0.243 0.000 1.123 400 I HN 0.694 nan 8.210 nan 0.000 0.440 401 F N 1.586 121.507 119.950 -0.048 0.000 3.074 401 F HA -0.198 4.329 4.527 0.001 0.000 0.289 401 F C 0.453 176.285 175.800 0.052 0.000 0.863 401 F CA 0.612 58.625 58.000 0.021 0.000 1.121 401 F CB -1.324 37.730 39.000 0.091 0.000 1.169 401 F HN 0.149 nan 8.300 nan 0.000 0.570 402 G N -0.834 107.988 108.800 0.037 0.000 2.788 402 G HA2 0.653 4.614 3.960 0.001 0.000 0.293 402 G HA3 0.653 4.614 3.960 0.001 0.000 0.293 402 G C -2.974 171.902 174.900 -0.039 0.000 1.392 402 G CA -0.673 44.440 45.100 0.021 0.000 0.810 402 G HN -0.165 nan 8.290 nan 0.000 0.508 403 P HA 0.296 nan 4.420 nan 0.000 0.225 403 P C -0.634 176.708 177.300 0.070 0.000 1.768 403 P CA -0.126 63.035 63.100 0.101 0.000 0.943 403 P CB 0.233 32.103 31.700 0.283 0.000 1.936 404 V N 2.584 122.442 119.914 -0.094 0.000 2.409 404 V HA 0.372 4.492 4.120 0.001 0.000 0.290 404 V C 0.163 176.183 176.094 -0.122 0.000 1.017 404 V CA -0.607 61.681 62.300 -0.019 0.000 0.841 404 V CB 2.099 33.979 31.823 0.096 0.000 1.003 404 V HN 0.272 nan 8.190 nan 0.000 0.426 405 M N 4.139 123.675 119.600 -0.106 0.000 2.180 405 M HA 0.558 5.039 4.480 0.001 0.000 0.350 405 M C -0.847 175.480 176.300 0.045 0.000 1.125 405 M CA -0.487 54.728 55.300 -0.142 0.000 1.031 405 M CB 1.432 33.928 32.600 -0.174 0.000 1.623 405 M HN 0.641 nan 8.290 nan 0.000 0.451 406 Q N 5.051 124.852 119.800 0.002 0.000 2.325 406 Q HA 0.574 4.915 4.340 0.001 0.000 0.262 406 Q C -1.195 174.805 176.000 0.000 0.000 0.968 406 Q CA 0.083 55.907 55.803 0.034 0.000 0.877 406 Q CB 1.663 30.377 28.738 -0.040 0.000 1.253 406 Q HN 0.684 nan 8.270 nan 0.000 0.448 407 I N 4.095 124.708 120.570 0.072 0.000 2.362 407 I HA 0.383 4.554 4.170 0.001 0.000 0.289 407 I C -1.016 175.188 176.117 0.144 0.000 0.994 407 I CA -0.923 60.436 61.300 0.098 0.000 1.158 407 I CB 0.899 38.992 38.000 0.155 0.000 1.315 407 I HN 0.332 nan 8.210 nan 0.000 0.451 408 L N 6.617 127.862 121.223 0.035 0.000 2.346 408 L HA 0.495 4.836 4.340 0.001 0.000 0.276 408 L C -0.072 176.915 176.870 0.195 0.000 1.006 408 L CA -0.463 54.387 54.840 0.016 0.000 0.817 408 L CB 1.560 43.432 42.059 -0.311 0.000 1.272 408 L HN 0.459 nan 8.230 nan 0.000 0.421 409 K N 2.740 123.186 120.400 0.076 0.000 2.143 409 K HA 0.656 4.977 4.320 0.001 0.000 0.272 409 K C -1.197 175.532 176.600 0.214 0.000 1.001 409 K CA -0.391 55.891 56.287 -0.009 0.000 0.915 409 K CB 0.924 33.113 32.500 -0.519 0.000 1.047 409 K HN 0.545 nan 8.250 nan 0.000 0.458 410 F N 1.102 121.107 119.950 0.092 0.000 2.664 410 F HA 0.441 4.969 4.527 0.001 0.000 0.317 410 F C 0.194 176.024 175.800 0.050 0.000 1.108 410 F CA -0.937 57.119 58.000 0.093 0.000 0.957 410 F CB 1.545 40.634 39.000 0.149 0.000 1.365 410 F HN 0.530 nan 8.300 nan 0.000 0.475 411 K N -0.093 120.380 120.400 0.122 0.000 2.325 411 K HA 0.233 4.554 4.320 0.001 0.000 0.203 411 K C 0.195 176.852 176.600 0.094 0.000 1.128 411 K CA 1.017 57.296 56.287 -0.015 0.000 0.931 411 K CB 0.359 32.876 32.500 0.028 0.000 1.125 411 K HN 0.918 nan 8.250 nan 0.000 0.487 412 T N -2.450 112.281 114.554 0.295 0.000 2.940 412 T HA 0.293 4.643 4.350 0.001 0.000 0.288 412 T C 1.027 175.917 174.700 0.317 0.000 1.045 412 T CA -0.897 61.347 62.100 0.241 0.000 1.018 412 T CB 1.398 70.335 68.868 0.115 0.000 1.151 412 T HN 0.146 nan 8.240 nan 0.000 0.529 413 I N 0.294 120.974 120.570 0.183 0.000 2.439 413 I HA -0.020 4.151 4.170 0.001 0.000 0.251 413 I C 2.098 178.271 176.117 0.093 0.000 1.139 413 I CA 1.278 62.652 61.300 0.123 0.000 1.438 413 I CB -0.008 38.024 38.000 0.053 0.000 1.085 413 I HN 0.764 nan 8.210 nan 0.000 0.427 414 E N 0.614 120.854 120.200 0.067 0.000 2.106 414 E HA -0.264 4.086 4.350 0.001 0.000 0.192 414 E C 1.927 178.544 176.600 0.029 0.000 0.984 414 E CA 1.211 57.662 56.400 0.085 0.000 0.806 414 E CB -0.195 29.537 29.700 0.052 0.000 0.750 414 E HN 0.504 nan 8.360 nan 0.000 0.458 415 E N 0.481 120.695 120.200 0.024 0.000 2.038 415 E HA -0.202 4.149 4.350 0.001 0.000 0.195 415 E C 2.098 178.611 176.600 -0.146 0.000 1.000 415 E CA 1.362 57.760 56.400 -0.004 0.000 0.803 415 E CB -0.090 29.663 29.700 0.088 0.000 0.750 415 E HN 0.169 nan 8.360 nan 0.000 0.448 416 V N 0.315 120.042 119.914 -0.311 0.000 2.427 416 V HA -0.185 3.936 4.120 0.001 0.000 0.248 416 V C 2.351 178.115 176.094 -0.550 0.000 1.051 416 V CA 1.387 63.255 62.300 -0.720 0.000 1.048 416 V CB 0.035 31.013 31.823 -1.409 0.000 0.666 416 V HN 0.239 nan 8.190 nan 0.000 0.456 417 V N 0.736 120.474 119.914 -0.293 0.000 2.287 417 V HA -0.209 3.912 4.120 0.001 0.000 0.248 417 V C 2.642 178.625 176.094 -0.184 0.000 1.053 417 V CA 2.378 64.554 62.300 -0.207 0.000 1.027 417 V CB -1.319 30.446 31.823 -0.097 0.000 0.646 417 V HN 0.647 nan 8.190 nan 0.000 0.447 418 G N -0.791 107.928 108.800 -0.135 0.000 2.402 418 G HA2 -0.213 3.748 3.960 0.001 0.000 0.216 418 G HA3 -0.213 3.748 3.960 0.001 0.000 0.216 418 G C 1.743 176.578 174.900 -0.107 0.000 1.162 418 G CA 0.602 45.646 45.100 -0.092 0.000 0.777 418 G HN 0.439 nan 8.290 nan 0.000 0.539 419 R N 0.401 120.798 120.500 -0.171 0.000 2.075 419 R HA 0.116 4.456 4.340 0.001 0.000 0.232 419 R C 3.013 179.223 176.300 -0.150 0.000 1.126 419 R CA 1.018 57.039 56.100 -0.132 0.000 0.963 419 R CB -0.314 29.905 30.300 -0.134 0.000 0.858 419 R HN 0.333 nan 8.270 nan 0.000 0.435 420 A N 1.471 124.070 122.820 -0.368 0.000 1.933 420 A HA -0.150 4.171 4.320 0.001 0.000 0.218 420 A C 1.622 179.166 177.584 -0.066 0.000 1.175 420 A CA 1.454 53.352 52.037 -0.232 0.000 0.628 420 A CB -0.311 18.485 19.000 -0.341 0.000 0.814 420 A HN 0.217 nan 8.150 nan 0.000 0.444 421 N N 0.125 118.772 118.700 -0.088 0.000 2.463 421 N HA -0.044 4.696 4.740 0.001 0.000 0.181 421 N C 0.239 175.742 175.510 -0.011 0.000 1.078 421 N CA 0.307 53.332 53.050 -0.042 0.000 0.902 421 N CB -0.416 38.036 38.487 -0.059 0.000 0.970 421 N HN 0.372 nan 8.380 nan 0.000 0.451 422 N N 0.887 119.583 118.700 -0.006 0.000 2.895 422 N HA 0.055 4.795 4.740 0.001 0.000 0.277 422 N C -1.326 174.207 175.510 0.038 0.000 1.185 422 N CA 0.109 53.167 53.050 0.013 0.000 1.106 422 N CB -0.205 38.292 38.487 0.016 0.000 1.422 422 N HN -0.096 nan 8.380 nan 0.000 0.521 423 S N -0.293 115.427 115.700 0.033 0.000 2.547 423 S HA 0.265 4.736 4.470 0.001 0.000 0.270 423 S C 0.914 175.513 174.600 -0.002 0.000 1.150 423 S CA -0.462 57.767 58.200 0.048 0.000 0.850 423 S CB 0.451 63.721 63.200 0.117 0.000 1.118 423 S HN 0.424 nan 8.310 nan 0.000 0.461 424 T N 0.594 115.094 114.554 -0.091 0.000 3.088 424 T HA 0.252 4.602 4.350 0.001 0.000 0.259 424 T C 0.455 175.028 174.700 -0.212 0.000 1.122 424 T CA 0.554 62.539 62.100 -0.192 0.000 1.095 424 T CB -0.472 68.206 68.868 -0.317 0.000 0.930 424 T HN 0.536 nan 8.240 nan 0.000 0.508 425 Y N 0.311 120.630 120.300 0.032 0.000 2.432 425 Y HA 0.588 5.139 4.550 0.001 0.000 0.322 425 Y C 1.232 177.148 175.900 0.028 0.000 1.246 425 Y CA -0.883 57.238 58.100 0.035 0.000 1.268 425 Y CB 1.853 40.338 38.460 0.043 0.000 1.276 425 Y HN 0.106 nan 8.280 nan 0.000 0.499 426 G N 1.180 110.107 108.800 0.212 0.000 5.374 426 G HA2 0.105 4.066 3.960 0.001 0.000 0.198 426 G HA3 0.105 4.066 3.960 0.001 0.000 0.198 426 G C -0.233 174.635 174.900 -0.054 0.000 0.812 426 G CA -0.237 44.901 45.100 0.064 0.000 0.614 426 G HN 0.532 nan 8.290 nan 0.000 0.357 427 L N 0.668 121.872 121.223 -0.031 0.000 2.049 427 L HA 0.755 5.096 4.340 0.001 0.000 0.203 427 L C 1.147 177.880 176.870 -0.228 0.000 1.074 427 L CA 2.215 56.977 54.840 -0.130 0.000 0.749 427 L CB -0.108 41.936 42.059 -0.024 0.000 0.907 427 L HN 0.431 nan 8.230 nan 0.000 0.439 428 A N -1.928 120.824 122.820 -0.112 0.000 2.569 428 A HA 0.905 5.226 4.320 0.001 0.000 0.290 428 A C -1.371 176.167 177.584 -0.076 0.000 1.136 428 A CA -0.081 51.846 52.037 -0.184 0.000 0.710 428 A CB 1.161 20.140 19.000 -0.034 0.000 1.303 428 A HN 0.524 nan 8.150 nan 0.000 0.413 429 A N -1.027 121.720 122.820 -0.122 0.000 2.601 429 A HA 0.980 5.300 4.320 0.001 0.000 0.291 429 A C -0.654 177.011 177.584 0.134 0.000 1.075 429 A CA 0.073 52.143 52.037 0.056 0.000 0.671 429 A CB 0.826 19.805 19.000 -0.036 0.000 1.277 429 A HN 2.641 nan 8.150 nan 0.000 0.417 430 A N -0.230 122.782 122.820 0.319 0.000 2.556 430 A HA 0.823 5.144 4.320 0.001 0.000 0.294 430 A C -1.486 176.295 177.584 0.328 0.000 1.091 430 A CA -0.549 51.721 52.037 0.388 0.000 0.704 430 A CB 1.672 21.129 19.000 0.762 0.000 1.300 430 A HN 1.727 nan 8.150 nan 0.000 0.406 431 V N 1.058 121.111 119.914 0.230 0.000 2.569 431 V HA 0.508 4.628 4.120 0.001 0.000 0.301 431 V C -1.632 174.545 176.094 0.138 0.000 1.044 431 V CA -0.218 62.211 62.300 0.215 0.000 0.874 431 V CB 1.365 33.249 31.823 0.102 0.000 1.002 431 V HN 0.700 nan 8.190 nan 0.000 0.424 432 F N 2.953 123.017 119.950 0.189 0.000 2.375 432 F HA 0.774 5.301 4.527 0.001 0.000 0.361 432 F C 0.396 176.303 175.800 0.179 0.000 1.117 432 F CA -0.202 57.922 58.000 0.206 0.000 1.037 432 F CB 1.990 41.121 39.000 0.218 0.000 1.192 432 F HN 0.510 nan 8.300 nan 0.000 0.452 433 T N 1.887 116.591 114.554 0.250 0.000 2.786 433 T HA 0.302 4.653 4.350 0.001 0.000 0.316 433 T C 0.039 174.820 174.700 0.135 0.000 1.503 433 T CA -0.690 61.523 62.100 0.188 0.000 1.019 433 T CB 1.490 70.452 68.868 0.156 0.000 1.415 433 T HN 0.636 nan 8.240 nan 0.000 0.496 434 K N 0.625 121.092 120.400 0.112 0.000 2.353 434 K HA 0.206 4.527 4.320 0.001 0.000 0.195 434 K C -0.313 176.322 176.600 0.059 0.000 1.031 434 K CA -0.100 56.234 56.287 0.078 0.000 1.079 434 K CB 0.352 32.896 32.500 0.073 0.000 0.857 434 K HN 0.496 nan 8.250 nan 0.000 0.535 435 D N 0.959 121.398 120.400 0.065 0.000 2.280 435 D HA 0.039 4.680 4.640 0.001 0.000 0.243 435 D C 0.869 177.198 176.300 0.049 0.000 1.129 435 D CA -0.327 53.704 54.000 0.052 0.000 0.848 435 D CB 1.105 41.937 40.800 0.053 0.000 1.107 435 D HN -0.172 nan 8.370 nan 0.000 0.471 436 L N 4.124 125.370 121.223 0.038 0.000 1.990 436 L HA -0.163 4.177 4.340 0.001 0.000 0.213 436 L C 1.282 178.180 176.870 0.045 0.000 1.072 436 L CA 2.016 56.877 54.840 0.035 0.000 0.755 436 L CB -0.474 41.601 42.059 0.026 0.000 0.889 436 L HN 0.533 nan 8.230 nan 0.000 0.432 437 D N -0.589 119.838 120.400 0.044 0.000 2.178 437 D HA -0.166 4.474 4.640 0.001 0.000 0.201 437 D C 2.219 178.573 176.300 0.090 0.000 0.980 437 D CA 1.153 55.186 54.000 0.056 0.000 0.842 437 D CB -0.029 40.790 40.800 0.032 0.000 0.948 437 D HN 0.406 nan 8.370 nan 0.000 0.472 438 K N 0.321 120.770 120.400 0.081 0.000 2.057 438 K HA 0.009 4.329 4.320 0.001 0.000 0.206 438 K C 2.103 178.789 176.600 0.143 0.000 1.050 438 K CA 0.992 57.350 56.287 0.119 0.000 0.935 438 K CB -0.025 32.534 32.500 0.099 0.000 0.715 438 K HN 0.019 nan 8.250 nan 0.000 0.439 439 A N 2.061 124.937 122.820 0.094 0.000 1.877 439 A HA -0.201 4.120 4.320 0.001 0.000 0.216 439 A C 1.846 179.461 177.584 0.052 0.000 1.186 439 A CA 1.697 53.773 52.037 0.064 0.000 0.620 439 A CB -0.500 18.524 19.000 0.040 0.000 0.822 439 A HN 0.219 nan 8.150 nan 0.000 0.443 440 N N -1.427 117.310 118.700 0.062 0.000 2.106 440 N HA -0.158 4.582 4.740 0.001 0.000 0.188 440 N C 1.632 177.178 175.510 0.059 0.000 1.029 440 N CA 1.689 54.767 53.050 0.046 0.000 0.848 440 N CB -0.703 37.813 38.487 0.048 0.000 1.007 440 N HN 0.659 nan 8.380 nan 0.000 0.423 441 Y N 1.660 121.955 120.300 -0.008 0.000 2.114 441 Y HA -0.157 4.394 4.550 0.001 0.000 0.282 441 Y C 2.176 178.061 175.900 -0.024 0.000 1.165 441 Y CA 1.566 59.658 58.100 -0.012 0.000 1.148 441 Y CB -0.491 37.966 38.460 -0.005 0.000 0.972 441 Y HN -0.020 nan 8.280 nan 0.000 0.504 442 L N -0.255 120.952 121.223 -0.026 0.000 2.072 442 L HA -0.176 4.164 4.340 0.001 0.000 0.205 442 L C 2.767 179.542 176.870 -0.158 0.000 1.079 442 L CA 1.400 56.160 54.840 -0.134 0.000 0.752 442 L CB -0.776 41.297 42.059 0.023 0.000 0.906 442 L HN 0.371 nan 8.230 nan 0.000 0.436 443 S N -0.891 114.750 115.700 -0.099 0.000 2.399 443 S HA -0.297 4.173 4.470 0.001 0.000 0.231 443 S C 1.899 176.417 174.600 -0.138 0.000 1.022 443 S CA 1.381 59.513 58.200 -0.114 0.000 0.983 443 S CB -0.394 62.755 63.200 -0.084 0.000 0.803 443 S HN 0.504 nan 8.310 nan 0.000 0.480 444 Q N 1.102 120.816 119.800 -0.143 0.000 2.096 444 Q HA 0.110 4.451 4.340 0.001 0.000 0.197 444 Q C 2.263 178.158 176.000 -0.176 0.000 0.964 444 Q CA 1.067 56.787 55.803 -0.137 0.000 0.838 444 Q CB -0.422 28.248 28.738 -0.113 0.000 0.906 444 Q HN 0.695 nan 8.270 nan 0.000 0.444 445 A N 0.584 123.233 122.820 -0.285 0.000 1.970 445 A HA 0.089 4.410 4.320 0.001 0.000 0.216 445 A C 0.953 178.412 177.584 -0.208 0.000 1.170 445 A CA 0.115 51.970 52.037 -0.304 0.000 0.645 445 A CB -0.296 18.369 19.000 -0.558 0.000 0.816 445 A HN 0.353 nan 8.150 nan 0.000 0.447 446 L N 0.844 121.946 121.223 -0.202 0.000 2.455 446 L HA 0.040 4.380 4.340 0.001 0.000 0.272 446 L C 0.253 177.030 176.870 -0.154 0.000 1.174 446 L CA -0.071 54.667 54.840 -0.170 0.000 0.869 446 L CB 0.558 42.513 42.059 -0.172 0.000 1.130 446 L HN 0.393 nan 8.230 nan 0.000 0.474 447 Q N 3.667 123.403 119.800 -0.107 0.000 3.150 447 Q HA 0.448 4.788 4.340 0.001 0.000 0.297 447 Q C -0.366 175.487 176.000 -0.245 0.000 1.382 447 Q CA -0.305 55.482 55.803 -0.027 0.000 1.059 447 Q CB 0.673 29.467 28.738 0.093 0.000 1.559 447 Q HN 0.676 nan 8.270 nan 0.000 0.548 448 A N -0.635 121.820 122.820 -0.609 0.000 2.435 448 A HA 0.697 5.018 4.320 0.001 0.000 0.304 448 A C 0.947 177.829 177.584 -1.171 0.000 1.064 448 A CA -0.497 51.109 52.037 -0.719 0.000 0.727 448 A CB 1.290 20.047 19.000 -0.405 0.000 1.284 448 A HN 0.499 nan 8.150 nan 0.000 0.415 449 G N -0.005 108.217 108.800 -0.963 0.000 2.448 449 G HA2 0.290 4.251 3.960 0.001 0.000 0.218 449 G HA3 0.290 4.251 3.960 0.001 0.000 0.218 449 G C 0.475 175.032 174.900 -0.571 0.000 1.135 449 G CA 1.507 46.171 45.100 -0.727 0.000 0.784 449 G HN 0.766 nan 8.290 nan 0.000 0.543 450 T N -0.180 114.004 114.554 -0.616 0.000 2.881 450 T HA 0.514 4.865 4.350 0.001 0.000 0.290 450 T C -1.113 173.117 174.700 -0.784 0.000 1.000 450 T CA -0.394 61.277 62.100 -0.716 0.000 0.978 450 T CB 2.721 71.060 68.868 -0.882 0.000 0.997 450 T HN -0.103 nan 8.240 nan 0.000 0.443 451 V N 3.615 123.121 119.914 -0.680 0.000 2.407 451 V HA 0.445 4.565 4.120 0.001 0.000 0.291 451 V C -0.701 175.114 176.094 -0.465 0.000 1.018 451 V CA -1.041 60.966 62.300 -0.488 0.000 0.842 451 V CB 1.304 32.953 31.823 -0.289 0.000 0.996 451 V HN 0.769 nan 8.190 nan 0.000 0.426 452 W N 3.509 124.694 121.300 -0.192 0.000 2.365 452 W HA 0.633 5.293 4.660 0.001 0.000 0.316 452 W C -0.566 175.857 176.519 -0.161 0.000 1.164 452 W CA -0.689 56.543 57.345 -0.187 0.000 1.204 452 W CB 1.882 31.198 29.460 -0.240 0.000 1.213 452 W HN 0.272 nan 8.180 nan 0.000 0.539 453 V N 4.848 124.792 119.914 0.050 0.000 2.378 453 V HA 0.131 4.252 4.120 0.001 0.000 0.288 453 V C 0.200 176.180 176.094 -0.190 0.000 1.016 453 V CA -0.928 61.323 62.300 -0.081 0.000 0.840 453 V CB 1.060 32.860 31.823 -0.039 0.000 0.994 453 V HN 0.672 nan 8.190 nan 0.000 0.431 454 N N 2.095 120.453 118.700 -0.570 0.000 2.725 454 N HA -0.177 4.563 4.740 0.001 0.000 0.249 454 N C -0.231 175.194 175.510 -0.141 0.000 1.103 454 N CA 1.297 53.981 53.050 -0.610 0.000 0.707 454 N CB -1.127 37.322 38.487 -0.063 0.000 1.043 454 N HN 1.044 nan 8.380 nan 0.000 0.553 455 C N -4.156 114.970 119.300 -0.290 0.000 3.284 455 C HA 0.806 5.267 4.460 0.001 0.000 0.348 455 C C -1.030 174.048 174.990 0.146 0.000 1.448 455 C CA -1.331 57.776 59.018 0.149 0.000 1.223 455 C CB 1.810 29.637 27.740 0.145 0.000 1.588 455 C HN 0.257 nan 8.230 nan 0.000 0.451 456 Y N -0.245 119.935 120.300 -0.201 0.000 2.581 456 Y HA 0.483 5.034 4.550 0.001 0.000 0.337 456 Y C -0.176 175.102 175.900 -1.037 0.000 1.108 456 Y CA 0.457 58.183 58.100 -0.623 0.000 1.033 456 Y CB 1.405 39.780 38.460 -0.141 0.000 1.318 456 Y HN 1.016 nan 8.280 nan 0.000 0.459 457 D N 1.522 120.673 120.400 -2.081 0.000 2.837 457 D HA -0.144 4.497 4.640 0.001 0.000 0.230 457 D C -0.958 174.921 176.300 -0.701 0.000 1.152 457 D CA 0.935 54.266 54.000 -1.115 0.000 0.736 457 D CB -1.017 39.585 40.800 -0.330 0.000 1.084 457 D HN 0.158 nan 8.370 nan 0.000 0.429 458 V N 1.381 120.685 119.914 -1.018 0.000 2.372 458 V HA 0.296 4.417 4.120 0.001 0.000 0.261 458 V C 0.546 176.551 176.094 -0.148 0.000 1.055 458 V CA -0.071 62.056 62.300 -0.288 0.000 0.930 458 V CB -0.006 31.740 31.823 -0.128 0.000 1.031 458 V HN -0.013 nan 8.190 nan 0.000 0.479 459 F N 2.448 122.430 119.950 0.053 0.000 2.507 459 F HA 0.867 5.394 4.527 0.001 0.000 0.327 459 F C 0.747 176.545 175.800 -0.004 0.000 1.068 459 F CA -0.519 57.506 58.000 0.042 0.000 0.965 459 F CB 2.294 41.303 39.000 0.015 0.000 1.192 459 F HN 0.514 nan 8.300 nan 0.000 0.476 460 G N -0.202 108.672 108.800 0.123 0.000 2.746 460 G HA2 0.493 4.453 3.960 0.001 0.000 0.297 460 G HA3 0.493 4.453 3.960 0.001 0.000 0.297 460 G C -0.056 174.743 174.900 -0.169 0.000 1.426 460 G CA -0.264 44.826 45.100 -0.018 0.000 0.989 460 G HN 0.867 nan 8.290 nan 0.000 0.520 461 A N 0.875 123.520 122.820 -0.292 0.000 2.084 461 A HA -0.101 4.220 4.320 0.001 0.000 0.221 461 A C 2.151 179.181 177.584 -0.924 0.000 1.161 461 A CA 2.225 53.925 52.037 -0.561 0.000 0.653 461 A CB -0.191 18.456 19.000 -0.588 0.000 0.802 461 A HN 0.615 nan 8.150 nan 0.000 0.457 462 Q N -0.026 119.312 119.800 -0.770 0.000 2.123 462 Q HA 0.086 4.427 4.340 0.001 0.000 0.199 462 Q C 0.566 176.491 176.000 -0.125 0.000 0.966 462 Q CA 1.021 56.529 55.803 -0.493 0.000 0.845 462 Q CB -0.020 28.589 28.738 -0.215 0.000 0.907 462 Q HN 0.478 nan 8.270 nan 0.000 0.439 463 S N 1.894 117.527 115.700 -0.113 0.000 2.457 463 S HA 0.381 4.851 4.470 0.001 0.000 0.289 463 S C -2.464 172.109 174.600 -0.044 0.000 1.163 463 S CA -1.361 56.814 58.200 -0.041 0.000 1.078 463 S CB 1.102 64.274 63.200 -0.046 0.000 0.987 463 S HN -0.006 nan 8.310 nan 0.000 0.482 464 P HA 0.286 nan 4.420 nan 0.000 0.269 464 P C -0.927 176.358 177.300 -0.025 0.000 1.215 464 P CA -0.256 62.799 63.100 -0.075 0.000 0.780 464 P CB 0.287 31.803 31.700 -0.305 0.000 0.898 465 F N 1.358 121.215 119.950 -0.155 0.000 2.557 465 F HA 0.712 5.239 4.527 0.001 0.000 0.316 465 F C -0.286 175.488 175.800 -0.044 0.000 1.141 465 F CA 0.109 58.050 58.000 -0.099 0.000 0.922 465 F CB 1.821 40.828 39.000 0.013 0.000 1.194 465 F HN 0.575 nan 8.300 nan 0.000 0.443 466 G N 2.360 110.700 108.800 -0.768 0.000 2.368 466 G HA2 0.491 4.452 3.960 0.001 0.000 0.293 466 G HA3 0.491 4.452 3.960 0.001 0.000 0.293 466 G C -1.645 172.984 174.900 -0.450 0.000 1.467 466 G CA -0.240 44.545 45.100 -0.524 0.000 0.804 466 G HN 1.010 nan 8.290 nan 0.000 0.535 467 G N -1.189 107.475 108.800 -0.226 0.000 2.417 467 G HA2 0.604 4.565 3.960 0.001 0.000 0.334 467 G HA3 0.604 4.565 3.960 0.001 0.000 0.334 467 G C -1.084 173.902 174.900 0.143 0.000 1.150 467 G CA -0.513 44.529 45.100 -0.096 0.000 0.923 467 G HN 0.401 nan 8.290 nan 0.000 0.485 468 Y N 0.632 120.871 120.300 -0.102 0.000 2.334 468 Y HA 0.387 4.938 4.550 0.001 0.000 0.325 468 Y C 1.515 177.396 175.900 -0.032 0.000 1.308 468 Y CA -1.040 57.017 58.100 -0.072 0.000 1.389 468 Y CB 0.949 39.364 38.460 -0.076 0.000 1.328 468 Y HN 0.821 nan 8.280 nan 0.000 0.532 469 K N -0.665 119.795 120.400 0.100 0.000 1.867 469 K HA -0.270 4.050 4.320 0.001 0.000 0.140 469 K C 0.650 177.273 176.600 0.039 0.000 1.408 469 K CA 1.492 57.806 56.287 0.045 0.000 0.461 469 K CB -1.073 31.461 32.500 0.057 0.000 0.594 469 K HN 0.450 nan 8.250 nan 0.000 0.888 470 M N 1.049 120.662 119.600 0.022 0.000 2.633 470 M HA 0.037 4.518 4.480 0.001 0.000 0.226 470 M C 0.889 177.282 176.300 0.156 0.000 1.137 470 M CA 1.128 56.440 55.300 0.020 0.000 1.020 470 M CB -0.448 32.079 32.600 -0.122 0.000 1.675 470 M HN 0.322 nan 8.290 nan 0.000 0.500 471 S N 0.274 116.094 115.700 0.201 0.000 2.634 471 S HA 0.441 4.912 4.470 0.001 0.000 0.221 471 S C 1.082 175.750 174.600 0.113 0.000 0.952 471 S CA 0.339 58.669 58.200 0.215 0.000 0.930 471 S CB 0.017 63.319 63.200 0.171 0.000 0.780 471 S HN 0.736 nan 8.310 nan 0.000 0.498 472 G N 1.304 110.161 108.800 0.095 0.000 2.373 472 G HA2 0.116 4.076 3.960 0.001 0.000 0.634 472 G HA3 0.116 4.076 3.960 0.001 0.000 0.634 472 G C -0.753 174.169 174.900 0.036 0.000 1.267 472 G CA -0.509 44.633 45.100 0.070 0.000 1.008 472 G HN 0.852 nan 8.290 nan 0.000 0.497 473 S N -0.991 114.725 115.700 0.025 0.000 2.569 473 S HA 0.990 5.460 4.470 0.001 0.000 0.280 473 S C 0.570 175.168 174.600 -0.004 0.000 1.111 473 S CA 0.609 58.809 58.200 0.000 0.000 0.887 473 S CB 1.608 64.803 63.200 -0.008 0.000 1.095 473 S HN 3.047 nan 8.310 nan 0.000 0.476 474 G N 1.918 110.708 108.800 -0.017 0.000 2.846 474 G HA2 -0.005 3.955 3.960 0.001 0.000 0.660 474 G HA3 -0.005 3.955 3.960 0.001 0.000 0.660 474 G C -0.946 173.946 174.900 -0.012 0.000 1.464 474 G CA -0.734 44.359 45.100 -0.012 0.000 0.891 474 G HN 0.827 nan 8.290 nan 0.000 0.552 475 R N 0.306 120.809 120.500 0.004 0.000 2.923 475 R HA 0.737 5.078 4.340 0.001 0.000 0.252 475 R C 0.078 176.417 176.300 0.064 0.000 1.130 475 R CA -0.679 55.422 56.100 0.000 0.000 1.043 475 R CB 1.390 31.664 30.300 -0.043 0.000 1.205 475 R HN 0.781 nan 8.270 nan 0.000 0.495 476 E N 0.819 121.062 120.200 0.073 0.000 2.369 476 E HA 0.549 4.899 4.350 0.001 0.000 0.270 476 E C -0.515 176.081 176.600 -0.007 0.000 0.909 476 E CA -0.870 55.573 56.400 0.071 0.000 0.775 476 E CB 2.231 31.993 29.700 0.102 0.000 1.270 476 E HN 0.324 nan 8.360 nan 0.000 0.445 477 L N -0.164 121.071 121.223 0.021 0.000 0.586 477 L HA -0.242 4.098 4.340 0.001 0.000 0.356 477 L C 0.610 177.593 176.870 0.189 0.000 0.969 477 L CA 0.774 55.647 54.840 0.054 0.000 1.223 477 L CB -1.391 40.509 42.059 -0.265 0.000 0.020 477 L HN 1.022 nan 8.230 nan 0.000 0.091 478 G N 0.080 108.973 108.800 0.156 0.000 2.752 478 G HA2 -0.285 3.676 3.960 0.001 0.000 0.234 478 G HA3 -0.285 3.676 3.960 0.001 0.000 0.234 478 G C 0.358 175.455 174.900 0.328 0.000 1.367 478 G CA 0.879 46.159 45.100 0.301 0.000 0.879 478 G HN 1.170 nan 8.290 nan 0.000 0.563 479 E N -1.014 119.321 120.200 0.225 0.000 2.204 479 E HA -0.086 4.264 4.350 0.001 0.000 0.194 479 E C 2.055 178.459 176.600 -0.327 0.000 0.989 479 E CA 1.652 57.850 56.400 -0.337 0.000 0.824 479 E CB -0.138 29.406 29.700 -0.261 0.000 0.756 479 E HN 0.616 nan 8.360 nan 0.000 0.477 480 Y N -0.356 119.904 120.300 -0.067 0.000 2.293 480 Y HA -0.008 4.543 4.550 0.001 0.000 0.291 480 Y C 2.447 178.319 175.900 -0.046 0.000 1.137 480 Y CA 1.062 59.137 58.100 -0.042 0.000 1.202 480 Y CB -0.725 37.735 38.460 0.000 0.000 0.990 480 Y HN 0.137 nan 8.280 nan 0.000 0.537 481 G N 0.055 108.951 108.800 0.161 0.000 2.501 481 G HA2 -0.185 3.776 3.960 0.001 0.000 0.220 481 G HA3 -0.185 3.776 3.960 0.001 0.000 0.220 481 G C 1.484 176.418 174.900 0.057 0.000 1.114 481 G CA 0.866 46.046 45.100 0.135 0.000 0.757 481 G HN 0.405 nan 8.290 nan 0.000 0.559 482 L N -0.617 120.506 121.223 -0.167 0.000 2.270 482 L HA 0.033 4.373 4.340 0.001 0.000 0.210 482 L C 2.934 179.693 176.870 -0.186 0.000 1.104 482 L CA 0.440 55.066 54.840 -0.358 0.000 0.804 482 L CB -0.366 41.038 42.059 -1.090 0.000 0.937 482 L HN 0.241 nan 8.230 nan 0.000 0.450 483 Q N 0.605 120.345 119.800 -0.100 0.000 2.084 483 Q HA -0.152 4.189 4.340 0.001 0.000 0.202 483 Q C 2.421 178.411 176.000 -0.017 0.000 0.978 483 Q CA 1.619 57.426 55.803 0.007 0.000 0.844 483 Q CB -0.261 28.494 28.738 0.028 0.000 0.898 483 Q HN 0.545 nan 8.270 nan 0.000 0.426 484 A N -0.270 122.520 122.820 -0.050 0.000 2.121 484 A HA -0.114 4.206 4.320 0.001 0.000 0.218 484 A C 0.930 178.311 177.584 -0.338 0.000 1.154 484 A CA 0.859 52.776 52.037 -0.199 0.000 0.679 484 A CB -0.263 18.570 19.000 -0.279 0.000 0.795 484 A HN 0.406 nan 8.150 nan 0.000 0.458 485 Y N -0.606 119.667 120.300 -0.045 0.000 2.507 485 Y HA 0.207 4.758 4.550 0.001 0.000 0.254 485 Y C 0.411 176.315 175.900 0.006 0.000 1.171 485 Y CA 0.070 58.153 58.100 -0.030 0.000 1.238 485 Y CB 0.534 38.963 38.460 -0.052 0.000 1.148 485 Y HN 0.052 nan 8.280 nan 0.000 0.525 486 T N 0.899 115.516 114.554 0.104 0.000 2.856 486 T HA 0.352 4.703 4.350 0.001 0.000 0.283 486 T C -0.790 173.923 174.700 0.022 0.000 1.008 486 T CA -0.862 61.300 62.100 0.104 0.000 0.997 486 T CB 1.876 70.839 68.868 0.157 0.000 0.992 486 T HN -0.068 nan 8.240 nan 0.000 0.454 487 K N 2.244 122.668 120.400 0.041 0.000 2.244 487 K HA 0.629 4.950 4.320 0.001 0.000 0.260 487 K C -1.170 175.429 176.600 -0.002 0.000 0.951 487 K CA -0.646 55.650 56.287 0.015 0.000 0.826 487 K CB 1.199 33.735 32.500 0.060 0.000 1.108 487 K HN 0.322 nan 8.250 nan 0.000 0.433 488 V N 4.799 124.689 119.914 -0.039 0.000 2.383 488 V HA 0.257 4.378 4.120 0.001 0.000 0.275 488 V C -0.182 175.916 176.094 0.007 0.000 1.036 488 V CA -0.555 61.731 62.300 -0.024 0.000 0.889 488 V CB 1.124 32.903 31.823 -0.074 0.000 0.985 488 V HN 0.669 nan 8.190 nan 0.000 0.459 489 K N 3.323 123.744 120.400 0.035 0.000 2.274 489 K HA 0.511 4.832 4.320 0.001 0.000 0.262 489 K C -0.525 176.047 176.600 -0.046 0.000 0.961 489 K CA -0.358 55.927 56.287 -0.003 0.000 0.833 489 K CB 1.391 33.898 32.500 0.011 0.000 1.102 489 K HN 0.674 nan 8.250 nan 0.000 0.436 490 T N 3.136 117.629 114.554 -0.100 0.000 2.767 490 T HA 0.285 4.635 4.350 0.001 0.000 0.288 490 T C -0.717 173.806 174.700 -0.295 0.000 0.963 490 T CA -0.533 61.455 62.100 -0.187 0.000 1.019 490 T CB 1.123 69.900 68.868 -0.153 0.000 0.923 490 T HN 0.296 nan 8.240 nan 0.000 0.468 491 V N 4.060 123.639 119.914 -0.559 0.000 2.409 491 V HA 0.476 4.596 4.120 0.001 0.000 0.291 491 V C 0.180 175.866 176.094 -0.680 0.000 1.020 491 V CA -0.695 61.210 62.300 -0.658 0.000 0.848 491 V CB 1.777 33.052 31.823 -0.913 0.000 0.990 491 V HN 0.926 nan 8.190 nan 0.000 0.430 492 T N 4.612 118.939 114.554 -0.378 0.000 2.809 492 T HA 0.600 4.951 4.350 0.001 0.000 0.284 492 T C -0.497 174.145 174.700 -0.097 0.000 0.992 492 T CA -0.342 61.603 62.100 -0.260 0.000 0.957 492 T CB 1.519 70.236 68.868 -0.252 0.000 0.942 492 T HN 0.355 nan 8.240 nan 0.000 0.439 493 V N 4.022 123.959 119.914 0.039 0.000 2.487 493 V HA 0.447 4.568 4.120 0.001 0.000 0.298 493 V C 0.308 176.594 176.094 0.320 0.000 1.028 493 V CA -1.192 61.208 62.300 0.167 0.000 0.860 493 V CB 1.772 33.719 31.823 0.207 0.000 0.991 493 V HN 0.753 nan 8.190 nan 0.000 0.427 494 K N 3.931 124.509 120.400 0.296 0.000 2.412 494 K HA 0.415 4.736 4.320 0.001 0.000 0.281 494 K C -0.424 176.220 176.600 0.073 0.000 1.027 494 K CA -0.143 56.259 56.287 0.192 0.000 0.989 494 K CB 0.847 33.429 32.500 0.138 0.000 0.935 494 K HN 0.681 nan 8.250 nan 0.000 0.475 495 V N 1.962 121.853 119.914 -0.038 0.000 2.960 495 V HA 0.429 4.550 4.120 0.001 0.000 0.315 495 V C -2.210 173.836 176.094 -0.081 0.000 1.087 495 V CA -1.885 60.404 62.300 -0.018 0.000 0.982 495 V CB 1.361 33.199 31.823 0.024 0.000 1.039 495 V HN 0.679 nan 8.190 nan 0.000 0.437 496 P HA 0.001 nan 4.420 nan 0.000 0.214 496 P C 0.033 177.289 177.300 -0.074 0.000 1.162 496 P CA 1.121 64.186 63.100 -0.058 0.000 0.879 496 P CB 0.191 31.869 31.700 -0.037 0.000 0.786 497 Q N -0.623 119.138 119.800 -0.065 0.000 2.309 497 Q HA 0.181 4.521 4.340 0.001 0.000 0.254 497 Q C -0.960 175.008 176.000 -0.053 0.000 0.938 497 Q CA -0.779 54.986 55.803 -0.063 0.000 0.789 497 Q CB 1.129 29.840 28.738 -0.047 0.000 1.313 497 Q HN -0.237 nan 8.270 nan 0.000 0.438 498 K N 3.856 124.222 120.400 -0.056 0.000 2.379 498 K HA 0.258 4.579 4.320 0.001 0.000 0.284 498 K C -1.128 175.461 176.600 -0.018 0.000 1.044 498 K CA 0.324 56.595 56.287 -0.027 0.000 0.974 498 K CB 0.498 32.992 32.500 -0.010 0.000 0.962 498 K HN 0.726 nan 8.250 nan 0.000 0.474 499 N N 1.352 120.043 118.700 -0.016 0.000 2.265 499 N HA 0.136 4.876 4.740 0.001 0.000 0.300 499 N C -0.518 174.988 175.510 -0.007 0.000 1.148 499 N CA -0.531 52.512 53.050 -0.013 0.000 0.772 499 N CB 1.710 40.185 38.487 -0.021 0.000 1.434 499 N HN 0.650 nan 8.380 nan 0.000 0.481 500 S N 0.000 115.699 115.700 -0.002 0.000 2.498 500 S HA 0.000 4.471 4.470 0.001 0.000 0.327 500 S CA 0.000 58.201 58.200 0.001 0.000 1.107 500 S CB 0.000 63.201 63.200 0.002 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517