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 1sf2_1_D DATA FIRST_RESID 2 DATA SEQUENCE NSNKELMQRR SQAIPRGVGQ IHPIFADRAE NCRVWDVEGR EYLDFAGGIA DATA SEQUENCE VLNTGHLHPK VVAAVEAQLK KLSHTCFQVL AYEPYLELCE IMNQKVPGDF DATA SEQUENCE AKKTLLVTTG SEAVENAVKI ARAATKRSGT IAFSGAYHGR THYTLALTGK DATA SEQUENCE VNPYSAGMGL MPGHVYRALY PCPLHGISED DAIASIHRIF KNDAAPEDIA DATA SEQUENCE AIVIEPVQGE GGFYASSPAF MQRLRALCDE HGIMLIADEV QSGAGRTGTL DATA SEQUENCE FAMEQMGVAP DLTTFAKSIA GGFPLAGVTG RAEVMDAVAP GGLGGTYAGN DATA SEQUENCE PIACVAALEV LKVFEQENLL QKANDLGQKL KDGLLAIAEK HPEIGDVRGL DATA SEQUENCE GAMIAIELFE DGDHNKPDAK LTAEIVARAR DKGLILLSCG PYYNVLRILV DATA SEQUENCE PLTIEDAQIR QGLEIISQCF DEAKQ 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.495 175.510 -0.025 0.000 1.280 2 N CA 0.000 53.033 53.050 -0.029 0.000 0.885 2 N CB 0.000 38.456 38.487 -0.052 0.000 1.341 3 S N 0.137 115.805 115.700 -0.053 0.000 2.575 3 S HA 0.454 4.924 4.470 -0.000 0.000 0.278 3 S C 0.274 174.833 174.600 -0.068 0.000 1.139 3 S CA -0.526 57.651 58.200 -0.038 0.000 0.954 3 S CB 0.827 64.004 63.200 -0.038 0.000 1.054 3 S HN 0.461 nan 8.310 nan 0.000 0.483 4 N N 3.835 122.535 118.700 -0.001 0.000 2.043 4 N HA -0.105 4.635 4.740 -0.000 0.000 0.193 4 N C 1.370 176.873 175.510 -0.011 0.000 1.037 4 N CA 1.529 54.602 53.050 0.039 0.000 0.851 4 N CB -0.232 38.333 38.487 0.129 0.000 1.027 4 N HN 0.672 nan 8.380 nan 0.000 0.422 5 K N 1.029 121.431 120.400 0.003 0.000 2.063 5 K HA -0.153 4.167 4.320 -0.000 0.000 0.208 5 K C 1.968 178.539 176.600 -0.048 0.000 1.048 5 K CA 0.993 57.278 56.287 -0.003 0.000 0.928 5 K CB -0.104 32.399 32.500 0.004 0.000 0.713 5 K HN 0.341 nan 8.250 nan 0.000 0.442 6 E N 1.169 121.320 120.200 -0.082 0.000 2.051 6 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 6 E C 2.009 178.500 176.600 -0.181 0.000 0.991 6 E CA 0.910 57.247 56.400 -0.105 0.000 0.799 6 E CB 0.017 29.656 29.700 -0.101 0.000 0.748 6 E HN 0.238 nan 8.360 nan 0.000 0.449 7 L N 0.235 121.251 121.223 -0.344 0.000 2.083 7 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 7 L C 2.727 179.367 176.870 -0.384 0.000 1.083 7 L CA 0.684 55.119 54.840 -0.676 0.000 0.752 7 L CB -0.349 40.702 42.059 -1.681 0.000 0.899 7 L HN 0.296 nan 8.230 nan 0.000 0.433 8 M N -0.612 118.924 119.600 -0.107 0.000 2.159 8 M HA -0.223 4.256 4.480 -0.000 0.000 0.263 8 M C 2.297 178.627 176.300 0.051 0.000 1.063 8 M CA 1.643 57.017 55.300 0.124 0.000 1.110 8 M CB -0.925 31.753 32.600 0.130 0.000 1.374 8 M HN 0.237 nan 8.290 nan 0.000 0.411 9 Q N 0.596 120.392 119.800 -0.006 0.000 2.084 9 Q HA -0.107 4.233 4.340 -0.000 0.000 0.202 9 Q C 1.992 177.990 176.000 -0.004 0.000 0.978 9 Q CA 1.818 57.617 55.803 -0.006 0.000 0.844 9 Q CB -0.158 28.567 28.738 -0.021 0.000 0.898 9 Q HN 0.412 nan 8.270 nan 0.000 0.426 10 R N -0.436 120.047 120.500 -0.028 0.000 2.096 10 R HA -0.063 4.277 4.340 -0.000 0.000 0.235 10 R C 2.475 178.790 176.300 0.025 0.000 1.127 10 R CA 1.368 57.458 56.100 -0.017 0.000 0.968 10 R CB -0.310 29.959 30.300 -0.053 0.000 0.861 10 R HN 0.238 nan 8.270 nan 0.000 0.440 11 R N 0.813 121.352 120.500 0.065 0.000 2.073 11 R HA -0.133 4.207 4.340 -0.000 0.000 0.234 11 R C 2.204 178.547 176.300 0.071 0.000 1.134 11 R CA 2.069 58.240 56.100 0.119 0.000 0.952 11 R CB -0.211 30.224 30.300 0.225 0.000 0.850 11 R HN 0.266 nan 8.270 nan 0.000 0.433 12 S N -0.175 115.558 115.700 0.054 0.000 2.442 12 S HA -0.100 4.370 4.470 -0.000 0.000 0.236 12 S C 1.680 176.295 174.600 0.025 0.000 1.007 12 S CA 0.699 58.920 58.200 0.035 0.000 0.965 12 S CB 0.080 63.295 63.200 0.026 0.000 0.773 12 S HN 0.348 nan 8.310 nan 0.000 0.504 13 Q N 0.532 120.346 119.800 0.023 0.000 2.297 13 Q HA 0.394 4.734 4.340 -0.000 0.000 0.203 13 Q C 2.183 178.195 176.000 0.020 0.000 0.931 13 Q CA 1.279 57.092 55.803 0.017 0.000 0.885 13 Q CB -0.329 28.415 28.738 0.010 0.000 0.991 13 Q HN 0.717 nan 8.270 nan 0.000 0.498 14 A N -0.349 122.487 122.820 0.027 0.000 2.140 14 A HA 0.278 4.597 4.320 -0.000 0.000 0.209 14 A C 0.915 178.518 177.584 0.032 0.000 1.181 14 A CA 0.015 52.070 52.037 0.029 0.000 0.824 14 A CB 0.511 19.531 19.000 0.033 0.000 0.879 14 A HN 0.171 nan 8.150 nan 0.000 0.480 15 I N 1.824 122.416 120.570 0.037 0.000 2.474 15 I HA 0.312 4.482 4.170 -0.000 0.000 0.294 15 I C -2.321 173.812 176.117 0.027 0.000 1.005 15 I CA -2.473 58.847 61.300 0.035 0.000 1.113 15 I CB 2.086 40.112 38.000 0.044 0.000 1.289 15 I HN 0.061 nan 8.210 nan 0.000 0.436 16 P HA 0.081 nan 4.420 nan 0.000 0.269 16 P C 0.120 177.429 177.300 0.016 0.000 1.209 16 P CA -0.337 62.774 63.100 0.018 0.000 0.776 16 P CB 0.619 32.329 31.700 0.017 0.000 0.876 17 R N 1.488 121.996 120.500 0.013 0.000 2.241 17 R HA -0.065 4.275 4.340 -0.000 0.000 0.224 17 R C 2.048 178.353 176.300 0.008 0.000 1.101 17 R CA 1.414 57.519 56.100 0.009 0.000 0.995 17 R CB -1.544 28.758 30.300 0.004 0.000 0.870 17 R HN 0.512 nan 8.270 nan 0.000 0.463 18 G N 1.507 110.315 108.800 0.013 0.000 2.450 18 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.220 18 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.220 18 G C 0.566 175.478 174.900 0.020 0.000 1.130 18 G CA 0.588 45.700 45.100 0.019 0.000 0.760 18 G HN 0.186 nan 8.290 nan 0.000 0.557 19 V N 2.171 122.092 119.914 0.012 0.000 2.352 19 V HA 0.458 4.578 4.120 -0.000 0.000 0.253 19 V C 1.291 177.381 176.094 -0.005 0.000 1.083 19 V CA -0.511 61.791 62.300 0.004 0.000 0.993 19 V CB 0.052 31.875 31.823 0.000 0.000 1.111 19 V HN 0.282 nan 8.190 nan 0.000 0.490 20 G N 3.661 112.457 108.800 -0.007 0.000 2.636 20 G HA2 0.367 4.327 3.960 -0.000 0.000 0.246 20 G HA3 0.367 4.327 3.960 -0.000 0.000 0.246 20 G C -0.313 174.560 174.900 -0.046 0.000 1.216 20 G CA -0.153 44.933 45.100 -0.024 0.000 0.854 20 G HN 0.625 nan 8.290 nan 0.000 0.572 21 Q N 0.356 120.120 119.800 -0.060 0.000 2.397 21 Q HA 0.303 4.643 4.340 -0.000 0.000 0.260 21 Q C 1.026 176.956 176.000 -0.116 0.000 1.002 21 Q CA -0.674 55.081 55.803 -0.080 0.000 0.716 21 Q CB 0.956 29.659 28.738 -0.058 0.000 1.258 21 Q HN 0.318 nan 8.270 nan 0.000 0.477 22 I N 1.649 122.125 120.570 -0.157 0.000 2.113 22 I HA -0.163 4.007 4.170 -0.000 0.000 0.238 22 I C 0.436 176.299 176.117 -0.423 0.000 1.070 22 I CA 1.303 62.422 61.300 -0.301 0.000 1.332 22 I CB -0.545 37.243 38.000 -0.353 0.000 1.044 22 I HN 0.584 nan 8.210 nan 0.000 0.402 23 H N 2.289 121.299 119.070 -0.100 0.000 2.551 23 H HA 0.237 4.793 4.556 -0.000 0.000 0.321 23 H C -1.845 173.424 175.328 -0.099 0.000 1.028 23 H CA -2.018 53.966 56.048 -0.105 0.000 1.215 23 H CB 1.306 30.978 29.762 -0.150 0.000 1.414 23 H HN 0.075 nan 8.280 nan 0.000 0.480 24 P HA 0.137 nan 4.420 nan 0.000 0.249 24 P C -0.206 177.158 177.300 0.106 0.000 1.686 24 P CA 0.367 63.504 63.100 0.061 0.000 0.873 24 P CB -0.393 31.343 31.700 0.060 0.000 1.828 25 I N 0.247 120.841 120.570 0.040 0.000 2.545 25 I HA 0.349 4.518 4.170 -0.000 0.000 0.292 25 I C -0.216 175.900 176.117 -0.000 0.000 1.040 25 I CA -1.153 60.173 61.300 0.044 0.000 1.068 25 I CB 1.743 39.655 38.000 -0.147 0.000 1.251 25 I HN -0.192 nan 8.210 nan 0.000 0.424 26 F N 4.366 124.293 119.950 -0.038 0.000 2.361 26 F HA 0.545 5.072 4.527 -0.000 0.000 0.364 26 F C 0.779 176.565 175.800 -0.022 0.000 1.120 26 F CA -0.490 57.495 58.000 -0.024 0.000 1.102 26 F CB 1.353 40.352 39.000 -0.003 0.000 1.183 26 F HN 0.431 nan 8.300 nan 0.000 0.476 27 A N 2.696 125.537 122.820 0.036 0.000 2.386 27 A HA 0.295 4.615 4.320 -0.000 0.000 0.248 27 A C 0.576 178.216 177.584 0.094 0.000 1.082 27 A CA 0.027 52.082 52.037 0.030 0.000 0.789 27 A CB 0.428 19.395 19.000 -0.056 0.000 1.025 27 A HN 0.817 nan 8.150 nan 0.000 0.490 28 D N -0.286 120.183 120.400 0.115 0.000 2.766 28 D HA 0.173 4.813 4.640 -0.000 0.000 0.284 28 D C 0.464 176.825 176.300 0.102 0.000 1.050 28 D CA 0.592 54.659 54.000 0.112 0.000 0.945 28 D CB 0.419 41.290 40.800 0.120 0.000 1.272 28 D HN 0.582 nan 8.370 nan 0.000 0.482 29 R N -0.328 120.272 120.500 0.167 0.000 2.808 29 R HA 0.859 5.199 4.340 -0.000 0.000 0.272 29 R C -1.405 175.068 176.300 0.288 0.000 0.995 29 R CA -0.983 55.232 56.100 0.192 0.000 0.917 29 R CB 2.473 32.867 30.300 0.156 0.000 1.217 29 R HN 0.067 nan 8.270 nan 0.000 0.471 30 A N 0.960 123.888 122.820 0.181 0.000 2.606 30 A HA 0.667 4.987 4.320 -0.000 0.000 0.293 30 A C -1.672 175.998 177.584 0.142 0.000 1.082 30 A CA -0.589 51.428 52.037 -0.034 0.000 0.685 30 A CB 2.350 20.894 19.000 -0.760 0.000 1.284 30 A HN 0.738 nan 8.150 nan 0.000 0.408 31 E N 1.102 121.377 120.200 0.125 0.000 2.415 31 E HA 0.366 4.716 4.350 -0.000 0.000 0.302 31 E C 0.188 176.887 176.600 0.165 0.000 0.907 31 E CA 0.117 56.649 56.400 0.219 0.000 0.798 31 E CB 0.849 30.741 29.700 0.320 0.000 1.315 31 E HN 1.032 nan 8.360 nan 0.000 0.396 32 N N 1.993 120.805 118.700 0.186 0.000 1.911 32 N HA -0.342 4.398 4.740 -0.000 0.000 0.160 32 N C 0.236 175.838 175.510 0.154 0.000 0.585 32 N CA 2.318 55.443 53.050 0.125 0.000 1.293 32 N CB -1.166 37.359 38.487 0.064 0.000 1.355 32 N HN 0.561 nan 8.380 nan 0.000 0.425 33 C N 1.827 121.180 119.300 0.087 0.000 2.974 33 C HA 0.379 4.838 4.460 -0.000 0.000 0.282 33 C C 0.388 175.377 174.990 -0.003 0.000 1.292 33 C CA -0.393 58.675 59.018 0.084 0.000 1.710 33 C CB -1.208 26.575 27.740 0.073 0.000 2.036 33 C HN 0.253 nan 8.230 nan 0.000 0.629 34 R N 0.403 120.818 120.500 -0.142 0.000 2.664 34 R HA 0.740 5.080 4.340 -0.000 0.000 0.286 34 R C -1.216 174.667 176.300 -0.694 0.000 0.967 34 R CA -0.229 55.586 56.100 -0.475 0.000 0.933 34 R CB 1.840 31.712 30.300 -0.712 0.000 1.146 34 R HN -0.002 nan 8.270 nan 0.000 0.468 35 V N 1.952 121.435 119.914 -0.718 0.000 2.789 35 V HA 0.469 4.588 4.120 -0.000 0.000 0.311 35 V C -0.893 174.905 176.094 -0.493 0.000 1.073 35 V CA -0.895 61.093 62.300 -0.519 0.000 0.921 35 V CB 2.317 33.961 31.823 -0.298 0.000 1.009 35 V HN 0.655 nan 8.190 nan 0.000 0.426 36 W N 2.732 124.064 121.300 0.052 0.000 2.600 36 W HA 0.439 5.098 4.660 -0.000 0.000 0.325 36 W C -0.425 176.154 176.519 0.100 0.000 1.034 36 W CA -0.754 56.652 57.345 0.101 0.000 1.226 36 W CB 2.218 31.698 29.460 0.034 0.000 1.379 36 W HN 0.813 nan 8.180 nan 0.000 0.466 37 D N -0.624 119.988 120.400 0.353 0.000 2.478 37 D HA 0.163 4.803 4.640 -0.000 0.000 0.269 37 D C 1.218 177.643 176.300 0.207 0.000 1.232 37 D CA -0.506 53.638 54.000 0.241 0.000 1.059 37 D CB 0.137 41.084 40.800 0.246 0.000 1.104 37 D HN 0.114 nan 8.370 nan 0.000 0.566 38 V N -2.928 117.086 119.914 0.166 0.000 2.867 38 V HA -0.094 4.026 4.120 -0.000 0.000 0.260 38 V C 1.287 177.435 176.094 0.090 0.000 1.099 38 V CA 1.406 63.773 62.300 0.112 0.000 1.122 38 V CB -1.148 30.720 31.823 0.076 0.000 0.708 38 V HN 0.529 nan 8.190 nan 0.000 0.490 39 E N 0.742 121.009 120.200 0.113 0.000 2.465 39 E HA 0.345 4.695 4.350 -0.000 0.000 0.191 39 E C 1.669 178.323 176.600 0.090 0.000 1.053 39 E CA 0.416 56.867 56.400 0.085 0.000 0.869 39 E CB 0.191 29.942 29.700 0.085 0.000 0.977 39 E HN 0.810 nan 8.360 nan 0.000 0.483 40 G N 2.517 111.393 108.800 0.127 0.000 2.159 40 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.256 40 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.256 40 G C 0.352 175.364 174.900 0.187 0.000 0.977 40 G CA 0.365 45.547 45.100 0.137 0.000 0.652 40 G HN 0.288 nan 8.290 nan 0.000 0.531 41 R N 0.961 121.559 120.500 0.163 0.000 2.438 41 R HA 0.493 4.833 4.340 -0.000 0.000 0.287 41 R C 0.236 176.529 176.300 -0.012 0.000 1.077 41 R CA -0.209 55.903 56.100 0.021 0.000 1.034 41 R CB 0.408 30.654 30.300 -0.090 0.000 0.993 41 R HN 0.409 nan 8.270 nan 0.000 0.459 42 E N 3.278 123.364 120.200 -0.189 0.000 2.216 42 E HA 0.182 4.532 4.350 -0.000 0.000 0.279 42 E C -1.530 174.720 176.600 -0.583 0.000 0.997 42 E CA -0.570 55.612 56.400 -0.363 0.000 0.817 42 E CB 0.681 30.278 29.700 -0.171 0.000 1.096 42 E HN 0.477 nan 8.360 nan 0.000 0.393 43 Y N 2.329 122.390 120.300 -0.399 0.000 2.512 43 Y HA 0.339 4.889 4.550 -0.000 0.000 0.348 43 Y C -0.596 175.121 175.900 -0.305 0.000 0.990 43 Y CA -1.121 56.803 58.100 -0.293 0.000 1.033 43 Y CB 1.341 39.649 38.460 -0.253 0.000 1.259 43 Y HN 0.438 nan 8.280 nan 0.000 0.461 44 L N 3.256 124.438 121.223 -0.068 0.000 2.265 44 L HA 0.364 4.704 4.340 -0.000 0.000 0.288 44 L C -0.458 176.427 176.870 0.024 0.000 1.058 44 L CA -0.313 54.494 54.840 -0.055 0.000 0.809 44 L CB 0.411 42.405 42.059 -0.108 0.000 1.179 44 L HN 0.587 nan 8.230 nan 0.000 0.429 45 D N 4.116 124.573 120.400 0.096 0.000 2.393 45 D HA 0.084 4.723 4.640 -0.000 0.000 0.232 45 D C 0.018 176.507 176.300 0.315 0.000 1.192 45 D CA 0.077 54.161 54.000 0.140 0.000 0.882 45 D CB 0.226 41.103 40.800 0.129 0.000 1.038 45 D HN 0.395 nan 8.370 nan 0.000 0.499 46 F N 2.033 121.960 119.950 -0.038 0.000 2.641 46 F HA 0.324 4.851 4.527 -0.000 0.000 0.302 46 F C 1.608 177.394 175.800 -0.023 0.000 1.098 46 F CA -0.331 57.655 58.000 -0.025 0.000 1.318 46 F CB 0.293 39.279 39.000 -0.023 0.000 1.035 46 F HN 0.504 nan 8.300 nan 0.000 0.551 47 A N -0.890 121.999 122.820 0.115 0.000 2.108 47 A HA 0.463 4.783 4.320 -0.000 0.000 0.206 47 A C 1.868 179.459 177.584 0.012 0.000 1.212 47 A CA 0.565 52.632 52.037 0.051 0.000 0.843 47 A CB -0.674 18.355 19.000 0.049 0.000 0.902 47 A HN 0.381 nan 8.150 nan 0.000 0.477 48 G N -0.388 108.412 108.800 0.001 0.000 2.356 48 G HA2 0.132 4.092 3.960 -0.000 0.000 0.296 48 G HA3 0.132 4.092 3.960 -0.000 0.000 0.296 48 G C 1.456 176.310 174.900 -0.077 0.000 1.022 48 G CA 0.835 45.897 45.100 -0.064 0.000 0.961 48 G HN 2.014 nan 8.290 nan 0.000 0.510 49 G N -0.557 108.219 108.800 -0.040 0.000 2.233 49 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.270 49 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.270 49 G C 0.762 175.643 174.900 -0.031 0.000 1.011 49 G CA 0.471 45.549 45.100 -0.038 0.000 0.762 49 G HN 2.159 nan 8.290 nan 0.000 0.511 50 I N -3.596 116.961 120.570 -0.020 0.000 6.333 50 I HA -0.133 4.037 4.170 -0.000 0.000 0.126 50 I C 1.324 177.442 176.117 0.003 0.000 1.824 50 I CA 0.302 61.596 61.300 -0.011 0.000 2.037 50 I CB -1.918 36.066 38.000 -0.026 0.000 3.472 50 I HN 2.097 nan 8.210 nan 0.000 0.169 51 A N 1.437 124.262 122.820 0.008 0.000 2.847 51 A HA -0.219 4.101 4.320 -0.000 0.000 0.263 51 A C 1.005 178.589 177.584 -0.001 0.000 1.391 51 A CA 1.352 53.397 52.037 0.014 0.000 0.866 51 A CB -1.766 17.259 19.000 0.041 0.000 1.057 51 A HN 0.885 nan 8.150 nan 0.000 0.673 52 V N -1.064 118.836 119.914 -0.023 0.000 3.590 52 V HA 0.167 4.286 4.120 -0.000 0.000 0.265 52 V C 1.131 177.199 176.094 -0.043 0.000 1.239 52 V CA 1.566 63.852 62.300 -0.023 0.000 1.117 52 V CB 0.096 31.897 31.823 -0.036 0.000 0.818 52 V HN 0.567 nan 8.190 nan 0.000 0.451 53 L N 0.645 121.818 121.223 -0.083 0.000 3.030 53 L HA 0.383 4.723 4.340 -0.000 0.000 0.252 53 L C 1.096 177.927 176.870 -0.065 0.000 1.316 53 L CA -0.230 54.541 54.840 -0.114 0.000 0.975 53 L CB 0.123 42.003 42.059 -0.298 0.000 1.357 53 L HN 0.096 nan 8.230 nan 0.000 0.534 54 N N 0.348 119.046 118.700 -0.003 0.000 2.289 54 N HA -0.119 4.620 4.740 -0.000 0.000 0.184 54 N C 1.673 177.147 175.510 -0.060 0.000 1.016 54 N CA 1.668 54.723 53.050 0.009 0.000 0.872 54 N CB 0.025 38.601 38.487 0.148 0.000 0.973 54 N HN 0.465 nan 8.380 nan 0.000 0.433 55 T N -2.583 111.951 114.554 -0.032 0.000 3.206 55 T HA 0.479 4.829 4.350 -0.000 0.000 0.253 55 T C 0.859 175.597 174.700 0.064 0.000 1.042 55 T CA -0.012 62.065 62.100 -0.039 0.000 0.931 55 T CB -0.093 68.739 68.868 -0.059 0.000 1.029 55 T HN 0.314 nan 8.240 nan 0.000 0.564 56 G N 1.371 110.170 108.800 -0.003 0.000 2.846 56 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.660 56 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.660 56 G C -0.760 174.147 174.900 0.012 0.000 1.464 56 G CA -0.930 44.170 45.100 0.000 0.000 0.891 56 G HN 0.603 nan 8.290 nan 0.000 0.552 57 H N 0.502 119.601 119.070 0.047 0.000 2.929 57 H HA 0.227 4.782 4.556 -0.000 0.000 0.317 57 H C 1.532 176.914 175.328 0.090 0.000 1.031 57 H CA 0.947 57.028 56.048 0.055 0.000 1.466 57 H CB 0.285 30.071 29.762 0.040 0.000 1.482 57 H HN 0.707 nan 8.280 nan 0.000 0.561 58 L N 3.175 124.539 121.223 0.234 0.000 3.795 58 L HA -0.258 4.082 4.340 -0.000 0.000 0.489 58 L C 0.755 177.745 176.870 0.200 0.000 1.259 58 L CA 0.315 55.293 54.840 0.229 0.000 0.765 58 L CB -1.450 40.724 42.059 0.192 0.000 1.519 58 L HN 0.708 nan 8.230 nan 0.000 0.842 59 H N 3.736 122.878 119.070 0.119 0.000 3.070 59 H HA 0.017 4.573 4.556 -0.000 0.000 0.313 59 H C -1.168 174.204 175.328 0.072 0.000 0.997 59 H CA -0.616 55.477 56.048 0.075 0.000 1.438 59 H CB 1.235 31.025 29.762 0.047 0.000 1.455 59 H HN 0.173 nan 8.280 nan 0.000 0.575 60 P HA -0.227 nan 4.420 nan 0.000 0.216 60 P C 1.223 178.624 177.300 0.168 0.000 1.154 60 P CA 1.339 64.474 63.100 0.057 0.000 0.865 60 P CB 0.450 32.123 31.700 -0.045 0.000 0.789 61 K N -0.257 120.357 120.400 0.356 0.000 2.057 61 K HA -0.042 4.277 4.320 -0.000 0.000 0.207 61 K C 2.269 178.944 176.600 0.126 0.000 1.049 61 K CA 0.817 57.235 56.287 0.220 0.000 0.931 61 K CB -1.344 31.274 32.500 0.197 0.000 0.714 61 K HN 0.120 nan 8.250 nan 0.000 0.440 62 V N 1.161 121.170 119.914 0.159 0.000 2.295 62 V HA -0.191 3.929 4.120 -0.000 0.000 0.246 62 V C 2.536 178.641 176.094 0.018 0.000 1.049 62 V CA 1.337 63.668 62.300 0.051 0.000 1.024 62 V CB -0.467 31.418 31.823 0.104 0.000 0.648 62 V HN -0.041 nan 8.190 nan 0.000 0.447 63 V N 0.372 120.346 119.914 0.101 0.000 2.343 63 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 63 V C 2.733 178.847 176.094 0.033 0.000 1.051 63 V CA 2.065 64.416 62.300 0.085 0.000 1.036 63 V CB -1.162 30.735 31.823 0.124 0.000 0.654 63 V HN 0.562 nan 8.190 nan 0.000 0.451 64 A N 0.030 122.873 122.820 0.040 0.000 1.883 64 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 64 A C 2.444 180.027 177.584 -0.003 0.000 1.186 64 A CA 2.319 54.370 52.037 0.023 0.000 0.624 64 A CB -0.886 18.133 19.000 0.032 0.000 0.822 64 A HN 0.589 nan 8.150 nan 0.000 0.444 65 A N -0.700 122.109 122.820 -0.019 0.000 1.902 65 A HA -0.015 4.305 4.320 -0.000 0.000 0.217 65 A C 2.248 179.788 177.584 -0.073 0.000 1.181 65 A CA 1.830 53.842 52.037 -0.042 0.000 0.623 65 A CB -0.992 17.974 19.000 -0.055 0.000 0.818 65 A HN 0.411 nan 8.150 nan 0.000 0.443 66 V N 0.171 120.012 119.914 -0.122 0.000 2.343 66 V HA -0.290 3.829 4.120 -0.000 0.000 0.247 66 V C 2.424 178.478 176.094 -0.067 0.000 1.051 66 V CA 2.390 64.592 62.300 -0.163 0.000 1.036 66 V CB -0.857 30.798 31.823 -0.280 0.000 0.654 66 V HN 0.661 nan 8.190 nan 0.000 0.451 67 E N 0.185 120.369 120.200 -0.027 0.000 2.077 67 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 67 E C 2.324 178.921 176.600 -0.005 0.000 0.989 67 E CA 1.258 57.657 56.400 -0.001 0.000 0.800 67 E CB -0.354 29.355 29.700 0.014 0.000 0.746 67 E HN 0.610 nan 8.360 nan 0.000 0.452 68 A N 1.191 124.005 122.820 -0.010 0.000 1.902 68 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 68 A C 2.172 179.750 177.584 -0.010 0.000 1.181 68 A CA 1.729 53.762 52.037 -0.006 0.000 0.623 68 A CB -0.440 18.556 19.000 -0.005 0.000 0.818 68 A HN 0.120 nan 8.150 nan 0.000 0.443 69 Q N -0.831 118.956 119.800 -0.023 0.000 2.167 69 Q HA -0.049 4.291 4.340 -0.000 0.000 0.202 69 Q C 1.708 177.694 176.000 -0.022 0.000 0.970 69 Q CA 1.209 56.996 55.803 -0.026 0.000 0.855 69 Q CB -0.498 28.213 28.738 -0.045 0.000 0.911 69 Q HN 0.458 nan 8.270 nan 0.000 0.438 70 L N 0.290 121.502 121.223 -0.017 0.000 2.353 70 L HA -0.074 4.266 4.340 -0.000 0.000 0.220 70 L C 1.297 178.168 176.870 0.002 0.000 1.133 70 L CA 1.699 56.537 54.840 -0.004 0.000 0.798 70 L CB -0.134 41.929 42.059 0.007 0.000 0.922 70 L HN 0.112 nan 8.230 nan 0.000 0.445 71 K N -1.469 118.932 120.400 0.001 0.000 2.379 71 K HA 0.011 4.331 4.320 -0.000 0.000 0.194 71 K C 1.586 178.188 176.600 0.004 0.000 1.031 71 K CA 0.298 56.588 56.287 0.005 0.000 1.037 71 K CB 0.359 32.862 32.500 0.006 0.000 0.824 71 K HN 0.330 nan 8.250 nan 0.000 0.516 72 K N 0.254 120.653 120.400 -0.001 0.000 2.159 72 K HA 0.140 4.460 4.320 -0.000 0.000 0.210 72 K C 0.198 176.794 176.600 -0.007 0.000 1.026 72 K CA 0.523 56.808 56.287 -0.002 0.000 0.959 72 K CB 0.229 32.727 32.500 -0.002 0.000 0.890 72 K HN -0.053 nan 8.250 nan 0.000 0.459 73 L N -3.221 117.989 121.223 -0.022 0.000 2.794 73 L HA 0.330 4.670 4.340 -0.000 0.000 0.261 73 L C -0.003 176.840 176.870 -0.044 0.000 0.989 73 L CA -0.643 54.181 54.840 -0.028 0.000 0.900 73 L CB 1.703 43.734 42.059 -0.046 0.000 1.473 73 L HN 0.052 nan 8.230 nan 0.000 0.414 74 S N -1.399 114.295 115.700 -0.010 0.000 2.549 74 S HA 0.428 4.898 4.470 -0.000 0.000 0.225 74 S C 0.060 174.701 174.600 0.069 0.000 1.039 74 S CA 0.784 58.990 58.200 0.010 0.000 0.942 74 S CB -0.390 62.835 63.200 0.041 0.000 0.881 74 S HN 1.230 nan 8.310 nan 0.000 0.503 75 H N -0.191 118.848 119.070 -0.053 0.000 3.140 75 H HA 0.452 5.007 4.556 -0.000 0.000 0.336 75 H C -0.005 175.341 175.328 0.031 0.000 1.142 75 H CA 0.336 56.384 56.048 -0.000 0.000 1.308 75 H CB 1.358 31.178 29.762 0.097 0.000 1.970 75 H HN 0.074 nan 8.280 nan 0.000 0.521 76 T N 0.609 114.808 114.554 -0.591 0.000 3.073 76 T HA 0.127 4.476 4.350 -0.000 0.000 0.264 76 T C 0.268 174.741 174.700 -0.378 0.000 0.893 76 T CA 0.421 62.334 62.100 -0.311 0.000 0.863 76 T CB -0.558 68.288 68.868 -0.037 0.000 1.247 76 T HN 1.207 nan 8.240 nan 0.000 0.546 77 C N 1.780 120.782 119.300 -0.497 0.000 2.485 77 C HA -0.169 4.291 4.460 -0.000 0.000 0.285 77 C C 1.050 176.101 174.990 0.103 0.000 0.796 77 C CA -0.506 58.468 59.018 -0.073 0.000 2.852 77 C CB -2.807 24.940 27.740 0.010 0.000 1.629 77 C HN 0.653 nan 8.230 nan 0.000 0.379 78 F N 2.679 122.663 119.950 0.057 0.000 2.135 78 F HA -0.265 4.262 4.527 -0.000 0.000 0.300 78 F C 2.067 177.719 175.800 -0.246 0.000 1.074 78 F CA 2.747 60.580 58.000 -0.279 0.000 1.262 78 F CB -0.020 38.587 39.000 -0.654 0.000 1.013 78 F HN 0.856 nan 8.300 nan 0.000 0.489 79 Q N -0.907 118.886 119.800 -0.012 0.000 2.226 79 Q HA -0.146 4.193 4.340 -0.000 0.000 0.204 79 Q C 2.094 178.019 176.000 -0.125 0.000 0.975 79 Q CA 1.614 57.380 55.803 -0.062 0.000 0.866 79 Q CB -0.178 28.573 28.738 0.020 0.000 0.915 79 Q HN 0.398 nan 8.270 nan 0.000 0.440 80 V N -0.178 119.669 119.914 -0.112 0.000 2.391 80 V HA 0.038 4.158 4.120 -0.000 0.000 0.237 80 V C 0.805 176.806 176.094 -0.154 0.000 1.046 80 V CA 0.820 63.061 62.300 -0.098 0.000 1.053 80 V CB 0.099 31.895 31.823 -0.045 0.000 0.704 80 V HN 0.184 nan 8.190 nan 0.000 0.475 81 L N 0.393 121.518 121.223 -0.163 0.000 2.376 81 L HA 0.730 5.070 4.340 -0.000 0.000 0.275 81 L C -0.084 176.602 176.870 -0.307 0.000 0.987 81 L CA -0.511 54.221 54.840 -0.181 0.000 0.828 81 L CB 1.620 43.640 42.059 -0.065 0.000 1.249 81 L HN 0.263 nan 8.230 nan 0.000 0.409 82 A N 3.296 125.780 122.820 -0.559 0.000 2.280 82 A HA 0.729 5.049 4.320 -0.000 0.000 0.268 82 A C -1.136 176.269 177.584 -0.298 0.000 1.111 82 A CA 0.048 51.473 52.037 -1.020 0.000 0.814 82 A CB 0.527 18.832 19.000 -1.158 0.000 1.093 82 A HN 0.665 nan 8.150 nan 0.000 0.498 83 Y N -3.450 116.849 120.300 -0.003 0.000 2.521 83 Y HA 0.477 5.027 4.550 -0.000 0.000 0.332 83 Y C 0.350 176.391 175.900 0.236 0.000 1.121 83 Y CA -0.894 57.277 58.100 0.118 0.000 1.037 83 Y CB 0.479 39.017 38.460 0.129 0.000 1.330 83 Y HN 0.734 nan 8.280 nan 0.000 0.452 84 E N 1.315 121.691 120.200 0.293 0.000 2.097 84 E HA -0.153 4.197 4.350 -0.000 0.000 0.196 84 E C -1.144 175.609 176.600 0.255 0.000 1.000 84 E CA 1.935 58.470 56.400 0.225 0.000 0.804 84 E CB -1.071 28.719 29.700 0.149 0.000 0.740 84 E HN 0.579 nan 8.360 nan 0.000 0.454 85 P HA -0.226 nan 4.420 nan 0.000 0.216 85 P C 1.164 178.618 177.300 0.256 0.000 1.157 85 P CA 1.263 64.517 63.100 0.258 0.000 0.880 85 P CB -0.165 31.697 31.700 0.270 0.000 0.791 86 Y N -0.030 120.378 120.300 0.181 0.000 2.070 86 Y HA -0.249 4.301 4.550 -0.000 0.000 0.280 86 Y C 2.228 178.061 175.900 -0.113 0.000 1.148 86 Y CA 1.026 59.080 58.100 -0.075 0.000 1.125 86 Y CB -0.919 37.241 38.460 -0.500 0.000 0.975 86 Y HN -0.207 nan 8.280 nan 0.000 0.492 87 L N 1.095 122.493 121.223 0.291 0.000 2.013 87 L HA -0.268 4.072 4.340 -0.000 0.000 0.212 87 L C 2.050 178.991 176.870 0.119 0.000 1.073 87 L CA 2.244 57.207 54.840 0.206 0.000 0.753 87 L CB -0.947 41.227 42.059 0.192 0.000 0.890 87 L HN 0.353 nan 8.230 nan 0.000 0.432 88 E N -0.591 119.673 120.200 0.106 0.000 2.085 88 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 88 E C 2.328 178.943 176.600 0.025 0.000 0.994 88 E CA 1.388 57.824 56.400 0.061 0.000 0.801 88 E CB -0.312 29.425 29.700 0.061 0.000 0.743 88 E HN 0.540 nan 8.360 nan 0.000 0.453 89 L N 0.615 121.846 121.223 0.013 0.000 2.017 89 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 89 L C 2.416 179.257 176.870 -0.047 0.000 1.073 89 L CA 1.271 56.090 54.840 -0.035 0.000 0.745 89 L CB -0.306 41.718 42.059 -0.059 0.000 0.894 89 L HN 0.361 nan 8.230 nan 0.000 0.432 90 C N 0.104 119.382 119.300 -0.037 0.000 2.413 90 C HA -0.179 4.281 4.460 -0.000 0.000 0.276 90 C C 2.501 177.490 174.990 -0.002 0.000 1.248 90 C CA 0.803 59.813 59.018 -0.014 0.000 1.742 90 C CB -0.898 26.855 27.740 0.021 0.000 2.017 90 C HN 0.543 nan 8.230 nan 0.000 0.481 91 E N 0.605 120.811 120.200 0.010 0.000 2.077 91 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 91 E C 1.952 178.541 176.600 -0.018 0.000 0.989 91 E CA 1.227 57.630 56.400 0.005 0.000 0.800 91 E CB -0.171 29.540 29.700 0.017 0.000 0.746 91 E HN 0.658 nan 8.360 nan 0.000 0.452 92 I N 0.548 121.100 120.570 -0.029 0.000 2.252 92 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 92 I C 2.303 178.375 176.117 -0.076 0.000 1.102 92 I CA 0.645 61.916 61.300 -0.048 0.000 1.385 92 I CB -0.168 37.802 38.000 -0.051 0.000 1.064 92 I HN 0.171 nan 8.210 nan 0.000 0.414 93 M N 0.275 119.816 119.600 -0.098 0.000 2.175 93 M HA -0.167 4.313 4.480 -0.000 0.000 0.264 93 M C 1.860 178.092 176.300 -0.113 0.000 1.063 93 M CA 1.687 56.900 55.300 -0.145 0.000 1.119 93 M CB -1.713 30.771 32.600 -0.193 0.000 1.377 93 M HN 0.309 nan 8.290 nan 0.000 0.415 94 N N 0.497 119.156 118.700 -0.067 0.000 2.205 94 N HA -0.230 4.509 4.740 -0.000 0.000 0.186 94 N C 1.643 177.100 175.510 -0.088 0.000 1.015 94 N CA 1.438 54.453 53.050 -0.058 0.000 0.862 94 N CB -0.066 38.408 38.487 -0.022 0.000 0.986 94 N HN 0.607 nan 8.380 nan 0.000 0.429 95 Q N 0.011 119.763 119.800 -0.080 0.000 2.376 95 Q HA 0.124 4.464 4.340 -0.000 0.000 0.206 95 Q C 1.279 177.222 176.000 -0.094 0.000 0.921 95 Q CA 0.420 56.172 55.803 -0.085 0.000 0.911 95 Q CB 0.257 28.960 28.738 -0.058 0.000 1.032 95 Q HN 0.131 nan 8.270 nan 0.000 0.510 96 K N 0.879 121.226 120.400 -0.089 0.000 2.211 96 K HA 0.151 4.470 4.320 -0.000 0.000 0.201 96 K C 0.400 176.954 176.600 -0.077 0.000 1.052 96 K CA 0.190 56.440 56.287 -0.061 0.000 0.973 96 K CB 0.495 32.975 32.500 -0.033 0.000 0.766 96 K HN 0.034 nan 8.250 nan 0.000 0.466 97 V N 5.577 125.376 119.914 -0.191 0.000 2.572 97 V HA 0.029 4.149 4.120 -0.000 0.000 0.291 97 V C -2.052 173.877 176.094 -0.275 0.000 1.039 97 V CA -1.411 60.661 62.300 -0.382 0.000 1.055 97 V CB 0.634 32.159 31.823 -0.496 0.000 0.969 97 V HN 0.155 nan 8.190 nan 0.000 0.482 98 P HA 0.242 nan 4.420 nan 0.000 0.265 98 P C 0.090 177.213 177.300 -0.296 0.000 1.187 98 P CA 0.473 63.457 63.100 -0.194 0.000 0.766 98 P CB 0.701 32.340 31.700 -0.102 0.000 0.820 99 G N 1.889 110.439 108.800 -0.416 0.000 2.400 99 G HA2 -0.006 3.953 3.960 -0.000 0.000 0.199 99 G HA3 -0.006 3.953 3.960 -0.000 0.000 0.199 99 G C -0.874 173.368 174.900 -1.096 0.000 1.383 99 G CA -0.740 43.805 45.100 -0.925 0.000 1.117 99 G HN 0.548 nan 8.290 nan 0.000 0.621 100 D N 1.563 121.557 120.400 -0.677 0.000 2.767 100 D HA 0.516 5.156 4.640 -0.000 0.000 0.231 100 D C 0.329 176.541 176.300 -0.147 0.000 1.105 100 D CA 0.321 54.131 54.000 -0.317 0.000 1.024 100 D CB -0.780 39.970 40.800 -0.083 0.000 1.123 100 D HN 0.578 nan 8.370 nan 0.000 0.470 101 F N -1.283 118.655 119.950 -0.020 0.000 2.807 101 F HA 0.607 5.134 4.527 -0.000 0.000 0.316 101 F C -0.863 174.926 175.800 -0.018 0.000 1.162 101 F CA -1.949 56.040 58.000 -0.017 0.000 0.910 101 F CB 0.134 39.123 39.000 -0.017 0.000 1.314 101 F HN -0.094 nan 8.300 nan 0.000 0.454 102 A N 1.495 124.477 122.820 0.269 0.000 2.488 102 A HA 0.607 4.927 4.320 -0.000 0.000 0.249 102 A C -0.396 177.316 177.584 0.214 0.000 1.083 102 A CA -0.296 51.836 52.037 0.158 0.000 0.768 102 A CB -0.029 19.034 19.000 0.104 0.000 1.017 102 A HN 0.686 nan 8.150 nan 0.000 0.496 103 K N 1.710 122.177 120.400 0.112 0.000 2.400 103 K HA 0.654 4.974 4.320 -0.000 0.000 0.246 103 K C -0.999 175.638 176.600 0.062 0.000 0.995 103 K CA -0.868 55.484 56.287 0.108 0.000 0.840 103 K CB 2.402 34.938 32.500 0.060 0.000 1.293 103 K HN 0.650 nan 8.250 nan 0.000 0.445 104 K N 0.588 121.024 120.400 0.060 0.000 2.435 104 K HA 0.454 4.773 4.320 -0.000 0.000 0.251 104 K C -1.209 175.421 176.600 0.051 0.000 0.954 104 K CA -0.754 55.563 56.287 0.050 0.000 0.820 104 K CB 2.517 35.046 32.500 0.049 0.000 1.292 104 K HN 0.478 nan 8.250 nan 0.000 0.436 105 T N 1.826 116.412 114.554 0.053 0.000 2.861 105 T HA 0.387 4.737 4.350 -0.000 0.000 0.287 105 T C -1.312 173.412 174.700 0.040 0.000 1.003 105 T CA -0.662 61.474 62.100 0.061 0.000 0.977 105 T CB 1.083 69.998 68.868 0.079 0.000 0.996 105 T HN 0.341 nan 8.240 nan 0.000 0.448 106 L N 4.125 125.355 121.223 0.012 0.000 2.317 106 L HA 0.707 5.046 4.340 -0.000 0.000 0.281 106 L C -1.464 175.343 176.870 -0.104 0.000 1.024 106 L CA -0.519 54.317 54.840 -0.007 0.000 0.810 106 L CB 0.761 42.815 42.059 -0.008 0.000 1.240 106 L HN 0.589 nan 8.230 nan 0.000 0.427 107 L N 6.095 127.210 121.223 -0.180 0.000 2.322 107 L HA 0.690 5.030 4.340 -0.000 0.000 0.281 107 L C 0.090 176.894 176.870 -0.110 0.000 1.014 107 L CA -0.740 53.925 54.840 -0.292 0.000 0.815 107 L CB 1.647 43.253 42.059 -0.756 0.000 1.247 107 L HN 0.694 nan 8.230 nan 0.000 0.421 108 V N -0.227 119.630 119.914 -0.095 0.000 4.781 108 V HA 0.583 4.703 4.120 -0.000 0.000 0.288 108 V C 0.346 176.456 176.094 0.027 0.000 1.442 108 V CA -0.099 62.197 62.300 -0.007 0.000 0.846 108 V CB 1.480 33.285 31.823 -0.031 0.000 1.330 108 V HN 0.704 nan 8.190 nan 0.000 0.450 109 T N 0.397 114.982 114.554 0.052 0.000 3.028 109 T HA 0.276 4.626 4.350 -0.000 0.000 0.250 109 T C 0.589 175.321 174.700 0.053 0.000 0.979 109 T CA 0.877 63.026 62.100 0.083 0.000 1.004 109 T CB 0.197 69.160 68.868 0.159 0.000 1.120 109 T HN 1.081 nan 8.240 nan 0.000 0.482 110 T N -0.899 113.677 114.554 0.037 0.000 2.908 110 T HA 0.628 4.978 4.350 -0.000 0.000 0.290 110 T C 1.531 176.234 174.700 0.005 0.000 1.034 110 T CA -0.097 62.021 62.100 0.030 0.000 1.010 110 T CB 1.728 70.621 68.868 0.043 0.000 1.068 110 T HN 0.037 nan 8.240 nan 0.000 0.481 111 G N 0.633 109.445 108.800 0.019 0.000 2.450 111 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.220 111 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.220 111 G C 1.648 176.558 174.900 0.018 0.000 1.130 111 G CA 1.049 46.160 45.100 0.019 0.000 0.760 111 G HN 0.728 nan 8.290 nan 0.000 0.557 112 S N -0.015 115.698 115.700 0.023 0.000 2.368 112 S HA -0.076 4.393 4.470 -0.000 0.000 0.224 112 S C 2.263 176.869 174.600 0.010 0.000 1.029 112 S CA 1.546 59.753 58.200 0.013 0.000 0.988 112 S CB -0.237 62.965 63.200 0.004 0.000 0.838 112 S HN 0.586 nan 8.310 nan 0.000 0.462 113 E N 0.679 120.883 120.200 0.006 0.000 2.110 113 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 113 E C 2.324 178.905 176.600 -0.032 0.000 0.988 113 E CA 0.930 57.328 56.400 -0.003 0.000 0.804 113 E CB -0.255 29.450 29.700 0.007 0.000 0.745 113 E HN 0.583 nan 8.360 nan 0.000 0.458 114 A N 0.993 123.778 122.820 -0.057 0.000 1.877 114 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 114 A C 2.514 180.058 177.584 -0.067 0.000 1.186 114 A CA 1.302 53.276 52.037 -0.107 0.000 0.620 114 A CB -0.715 18.182 19.000 -0.172 0.000 0.822 114 A HN 0.118 nan 8.150 nan 0.000 0.443 115 V N 0.245 120.143 119.914 -0.027 0.000 2.343 115 V HA -0.221 3.899 4.120 -0.000 0.000 0.247 115 V C 2.553 178.637 176.094 -0.016 0.000 1.051 115 V CA 2.042 64.334 62.300 -0.013 0.000 1.036 115 V CB -0.770 31.062 31.823 0.015 0.000 0.654 115 V HN 0.525 nan 8.190 nan 0.000 0.451 116 E N 0.513 120.708 120.200 -0.008 0.000 2.065 116 E HA -0.246 4.104 4.350 -0.000 0.000 0.201 116 E C 2.127 178.679 176.600 -0.080 0.000 1.016 116 E CA 1.599 57.977 56.400 -0.037 0.000 0.818 116 E CB -0.489 29.199 29.700 -0.020 0.000 0.749 116 E HN 0.617 nan 8.360 nan 0.000 0.453 117 N N 0.424 119.088 118.700 -0.060 0.000 2.188 117 N HA -0.105 4.635 4.740 -0.000 0.000 0.184 117 N C 1.843 177.317 175.510 -0.059 0.000 1.018 117 N CA 1.086 54.099 53.050 -0.060 0.000 0.858 117 N CB -0.154 38.303 38.487 -0.050 0.000 0.989 117 N HN 0.106 nan 8.380 nan 0.000 0.426 118 A N 1.071 123.858 122.820 -0.054 0.000 1.883 118 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 118 A C 2.539 180.100 177.584 -0.039 0.000 1.186 118 A CA 1.402 53.415 52.037 -0.040 0.000 0.624 118 A CB -0.791 18.190 19.000 -0.032 0.000 0.822 118 A HN 0.109 nan 8.150 nan 0.000 0.444 119 V N 0.034 119.915 119.914 -0.054 0.000 2.358 119 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 119 V C 2.435 178.470 176.094 -0.098 0.000 1.047 119 V CA 2.201 64.461 62.300 -0.066 0.000 1.035 119 V CB -0.644 31.118 31.823 -0.100 0.000 0.658 119 V HN 0.522 nan 8.190 nan 0.000 0.452 120 K N -0.189 120.138 120.400 -0.122 0.000 2.063 120 K HA -0.142 4.178 4.320 -0.000 0.000 0.208 120 K C 2.069 178.632 176.600 -0.063 0.000 1.048 120 K CA 1.679 57.902 56.287 -0.107 0.000 0.928 120 K CB -0.322 32.120 32.500 -0.098 0.000 0.713 120 K HN 0.391 nan 8.250 nan 0.000 0.442 121 I N 0.841 121.383 120.570 -0.048 0.000 2.252 121 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 121 I C 2.490 178.592 176.117 -0.025 0.000 1.102 121 I CA 1.042 62.324 61.300 -0.030 0.000 1.385 121 I CB -0.319 37.667 38.000 -0.022 0.000 1.064 121 I HN 0.140 nan 8.210 nan 0.000 0.414 122 A N 0.821 123.628 122.820 -0.022 0.000 1.902 122 A HA -0.218 4.101 4.320 -0.000 0.000 0.217 122 A C 2.374 179.951 177.584 -0.012 0.000 1.181 122 A CA 1.555 53.585 52.037 -0.011 0.000 0.623 122 A CB -0.573 18.428 19.000 0.002 0.000 0.818 122 A HN 0.322 nan 8.150 nan 0.000 0.443 123 R N -0.608 119.879 120.500 -0.021 0.000 2.081 123 R HA -0.068 4.272 4.340 -0.000 0.000 0.235 123 R C 2.436 178.724 176.300 -0.020 0.000 1.131 123 R CA 1.251 57.340 56.100 -0.019 0.000 0.960 123 R CB -0.441 29.838 30.300 -0.036 0.000 0.856 123 R HN 0.507 nan 8.270 nan 0.000 0.436 124 A N 0.953 123.758 122.820 -0.024 0.000 1.968 124 A HA -0.002 4.318 4.320 -0.000 0.000 0.217 124 A C 2.271 179.844 177.584 -0.018 0.000 1.169 124 A CA 1.429 53.453 52.037 -0.021 0.000 0.638 124 A CB -0.374 18.613 19.000 -0.022 0.000 0.812 124 A HN 0.384 nan 8.150 nan 0.000 0.446 125 A N -0.453 122.356 122.820 -0.019 0.000 1.930 125 A HA 0.003 4.323 4.320 -0.000 0.000 0.215 125 A C 2.311 179.883 177.584 -0.020 0.000 1.176 125 A CA 2.162 54.187 52.037 -0.020 0.000 0.632 125 A CB -0.833 18.154 19.000 -0.022 0.000 0.819 125 A HN 0.700 nan 8.150 nan 0.000 0.445 126 T N -5.011 109.533 114.554 -0.016 0.000 3.037 126 T HA 0.167 4.517 4.350 -0.000 0.000 0.251 126 T C 0.669 175.360 174.700 -0.015 0.000 1.079 126 T CA 0.610 62.701 62.100 -0.015 0.000 1.067 126 T CB -0.028 68.835 68.868 -0.007 0.000 0.948 126 T HN 0.367 nan 8.240 nan 0.000 0.496 127 K N 0.904 121.296 120.400 -0.014 0.000 3.192 127 K HA -0.130 4.189 4.320 -0.000 0.000 0.278 127 K C -0.358 176.235 176.600 -0.013 0.000 1.164 127 K CA 0.483 56.762 56.287 -0.014 0.000 0.816 127 K CB -1.437 31.053 32.500 -0.016 0.000 1.256 127 K HN 0.590 nan 8.250 nan 0.000 0.497 128 R N -0.914 119.581 120.500 -0.008 0.000 2.873 128 R HA 0.435 4.775 4.340 -0.000 0.000 0.264 128 R C 0.844 177.150 176.300 0.009 0.000 1.026 128 R CA -0.654 55.443 56.100 -0.004 0.000 1.002 128 R CB 1.306 31.605 30.300 -0.001 0.000 1.174 128 R HN -0.086 nan 8.270 nan 0.000 0.488 129 S N -0.532 115.178 115.700 0.017 0.000 2.524 129 S HA 0.149 4.619 4.470 -0.000 0.000 0.222 129 S C 0.639 175.306 174.600 0.111 0.000 1.040 129 S CA -0.084 58.144 58.200 0.046 0.000 0.915 129 S CB 0.977 64.199 63.200 0.037 0.000 0.831 129 S HN 0.739 nan 8.310 nan 0.000 0.492 130 G N 1.917 110.790 108.800 0.122 0.000 2.476 130 G HA2 0.516 4.476 3.960 -0.000 0.000 0.286 130 G HA3 0.516 4.476 3.960 -0.000 0.000 0.286 130 G C -0.334 174.707 174.900 0.235 0.000 1.177 130 G CA -0.212 45.032 45.100 0.241 0.000 0.870 130 G HN 0.288 nan 8.290 nan 0.000 0.528 131 T N -1.884 112.839 114.554 0.282 0.000 2.903 131 T HA 0.691 5.041 4.350 -0.000 0.000 0.299 131 T C -0.566 174.261 174.700 0.212 0.000 1.093 131 T CA -0.754 61.476 62.100 0.217 0.000 1.002 131 T CB 1.752 70.747 68.868 0.212 0.000 1.127 131 T HN 0.364 nan 8.240 nan 0.000 0.488 132 I N 1.418 122.072 120.570 0.140 0.000 2.433 132 I HA 0.715 4.884 4.170 -0.000 0.000 0.292 132 I C 0.076 176.201 176.117 0.012 0.000 1.001 132 I CA -1.031 60.303 61.300 0.057 0.000 1.119 132 I CB 1.766 39.748 38.000 -0.030 0.000 1.289 132 I HN 1.055 nan 8.210 nan 0.000 0.438 133 A N 5.420 128.216 122.820 -0.040 0.000 2.485 133 A HA 0.878 5.197 4.320 -0.000 0.000 0.292 133 A C -1.388 176.173 177.584 -0.039 0.000 1.147 133 A CA -0.420 51.676 52.037 0.097 0.000 0.750 133 A CB 1.204 20.301 19.000 0.162 0.000 1.331 133 A HN 0.468 nan 8.150 nan 0.000 0.419 134 F N 0.579 120.657 119.950 0.214 0.000 2.450 134 F HA 0.511 5.038 4.527 -0.000 0.000 0.328 134 F C 1.371 177.252 175.800 0.136 0.000 1.068 134 F CA -0.148 57.975 58.000 0.205 0.000 1.007 134 F CB 1.580 40.798 39.000 0.362 0.000 1.251 134 F HN 0.575 nan 8.300 nan 0.000 0.492 135 S N 0.113 115.993 115.700 0.300 0.000 2.549 135 S HA 0.396 4.865 4.470 -0.000 0.000 0.286 135 S C 0.988 175.661 174.600 0.123 0.000 1.314 135 S CA -0.109 58.187 58.200 0.159 0.000 1.062 135 S CB 0.487 63.766 63.200 0.131 0.000 0.865 135 S HN 1.540 nan 8.310 nan 0.000 0.498 136 G N 1.302 110.127 108.800 0.041 0.000 2.168 136 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.263 136 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.263 136 G C 0.367 175.257 174.900 -0.017 0.000 0.977 136 G CA 0.136 45.228 45.100 -0.013 0.000 0.659 136 G HN 1.618 nan 8.290 nan 0.000 0.533 137 A N -0.676 122.155 122.820 0.018 0.000 2.366 137 A HA 0.672 4.992 4.320 -0.000 0.000 0.249 137 A C -0.371 177.155 177.584 -0.097 0.000 1.084 137 A CA 0.261 52.257 52.037 -0.068 0.000 0.794 137 A CB 0.691 19.720 19.000 0.047 0.000 1.034 137 A HN 1.505 nan 8.150 nan 0.000 0.491 138 Y N 0.548 120.595 120.300 -0.422 0.000 2.354 138 Y HA 0.497 5.047 4.550 -0.000 0.000 0.330 138 Y C 0.056 175.677 175.900 -0.465 0.000 1.011 138 Y CA -0.512 57.418 58.100 -0.284 0.000 1.099 138 Y CB 1.426 39.809 38.460 -0.129 0.000 1.179 138 Y HN 0.778 nan 8.280 nan 0.000 0.442 139 H N 3.632 122.376 119.070 -0.543 0.000 3.398 139 H HA 0.480 5.036 4.556 -0.000 0.000 0.260 139 H C 0.505 175.599 175.328 -0.390 0.000 1.189 139 H CA 0.420 56.289 56.048 -0.299 0.000 1.145 139 H CB 1.280 30.974 29.762 -0.113 0.000 1.599 139 H HN 0.865 nan 8.280 nan 0.000 0.615 140 G N 0.761 109.117 108.800 -0.739 0.000 2.353 140 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.424 140 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.424 140 G C -0.482 174.176 174.900 -0.404 0.000 1.320 140 G CA -0.997 43.859 45.100 -0.406 0.000 0.995 140 G HN 0.134 nan 8.290 nan 0.000 0.580 141 R N 0.078 120.450 120.500 -0.214 0.000 2.652 141 R HA 0.243 4.582 4.340 -0.000 0.000 0.372 141 R C 0.887 177.123 176.300 -0.106 0.000 1.104 141 R CA 0.387 56.367 56.100 -0.200 0.000 1.072 141 R CB 0.735 30.918 30.300 -0.194 0.000 1.367 141 R HN 0.781 nan 8.270 nan 0.000 0.577 142 T N -3.026 111.501 114.554 -0.046 0.000 2.874 142 T HA 0.136 4.486 4.350 -0.000 0.000 0.281 142 T C 1.115 175.844 174.700 0.048 0.000 0.994 142 T CA -0.462 61.660 62.100 0.037 0.000 1.015 142 T CB 1.236 70.155 68.868 0.086 0.000 1.028 142 T HN 0.116 nan 8.240 nan 0.000 0.523 143 H N -0.565 118.521 119.070 0.027 0.000 2.289 143 H HA -0.087 4.469 4.556 -0.000 0.000 0.294 143 H C 1.689 177.025 175.328 0.014 0.000 1.095 143 H CA 2.756 58.817 56.048 0.021 0.000 1.256 143 H CB -0.537 29.247 29.762 0.037 0.000 1.359 143 H HN 0.758 nan 8.280 nan 0.000 0.487 144 Y N 1.022 121.385 120.300 0.105 0.000 2.200 144 Y HA -0.240 4.310 4.550 -0.000 0.000 0.290 144 Y C 2.733 178.633 175.900 -0.000 0.000 1.137 144 Y CA 1.862 59.984 58.100 0.036 0.000 1.163 144 Y CB -0.364 38.107 38.460 0.019 0.000 0.988 144 Y HN 0.367 nan 8.280 nan 0.000 0.518 145 T N -1.733 112.885 114.554 0.106 0.000 2.962 145 T HA -0.147 4.203 4.350 -0.000 0.000 0.270 145 T C 1.930 176.571 174.700 -0.098 0.000 1.088 145 T CA 1.247 63.353 62.100 0.010 0.000 1.127 145 T CB -0.668 68.202 68.868 0.003 0.000 0.883 145 T HN 0.378 nan 8.240 nan 0.000 0.493 146 L N 0.499 121.660 121.223 -0.105 0.000 2.141 146 L HA 0.088 4.428 4.340 -0.000 0.000 0.209 146 L C 3.217 180.031 176.870 -0.093 0.000 1.094 146 L CA 1.071 55.850 54.840 -0.102 0.000 0.763 146 L CB -0.636 41.371 42.059 -0.086 0.000 0.908 146 L HN 0.395 nan 8.230 nan 0.000 0.437 147 A N -0.015 122.704 122.820 -0.168 0.000 1.930 147 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 147 A C 2.187 179.649 177.584 -0.203 0.000 1.175 147 A CA 1.158 53.057 52.037 -0.229 0.000 0.627 147 A CB -0.503 18.254 19.000 -0.405 0.000 0.815 147 A HN 0.353 nan 8.150 nan 0.000 0.443 148 L N -0.303 120.802 121.223 -0.197 0.000 2.093 148 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 148 L C 0.813 177.760 176.870 0.128 0.000 1.085 148 L CA 0.523 55.342 54.840 -0.036 0.000 0.755 148 L CB -0.811 41.243 42.059 -0.009 0.000 0.904 148 L HN 0.177 nan 8.230 nan 0.000 0.435 149 T N 0.678 115.260 114.554 0.047 0.000 2.902 149 T HA 0.134 4.484 4.350 -0.000 0.000 0.301 149 T C 0.774 175.504 174.700 0.049 0.000 1.012 149 T CA 0.077 62.184 62.100 0.011 0.000 1.151 149 T CB 0.900 69.721 68.868 -0.078 0.000 0.946 149 T HN 0.360 nan 8.240 nan 0.000 0.542 150 G N 3.374 112.210 108.800 0.060 0.000 3.506 150 G HA2 0.435 4.394 3.960 -0.000 0.000 0.268 150 G HA3 0.435 4.394 3.960 -0.000 0.000 0.268 150 G C -0.130 174.782 174.900 0.020 0.000 0.959 150 G CA -0.344 44.781 45.100 0.042 0.000 1.823 150 G HN 0.655 nan 8.290 nan 0.000 0.615 151 K N 1.045 121.462 120.400 0.028 0.000 2.578 151 K HA 0.192 4.512 4.320 -0.000 0.000 0.263 151 K C -0.377 176.196 176.600 -0.045 0.000 0.973 151 K CA -0.687 55.579 56.287 -0.036 0.000 0.909 151 K CB 1.189 33.668 32.500 -0.036 0.000 1.326 151 K HN -0.070 nan 8.250 nan 0.000 0.440 152 V N 2.024 121.886 119.914 -0.087 0.000 2.492 152 V HA 0.003 4.123 4.120 -0.000 0.000 0.241 152 V C 0.797 176.807 176.094 -0.141 0.000 1.041 152 V CA 0.993 63.251 62.300 -0.069 0.000 1.057 152 V CB -0.345 31.450 31.823 -0.046 0.000 0.711 152 V HN 0.779 nan 8.190 nan 0.000 0.468 153 N N 1.642 120.232 118.700 -0.183 0.000 2.499 153 N HA 0.198 4.938 4.740 -0.000 0.000 0.281 153 N C -1.820 173.460 175.510 -0.384 0.000 1.098 153 N CA -1.537 51.396 53.050 -0.196 0.000 0.979 153 N CB 1.784 40.209 38.487 -0.103 0.000 1.121 153 N HN 0.035 nan 8.380 nan 0.000 0.466 154 P HA 0.051 nan 4.420 nan 0.000 0.267 154 P C 0.344 177.641 177.300 -0.004 0.000 1.289 154 P CA 0.280 63.299 63.100 -0.136 0.000 0.866 154 P CB 0.041 31.702 31.700 -0.065 0.000 1.309 155 Y N 1.210 121.514 120.300 0.006 0.000 2.102 155 Y HA -0.196 4.354 4.550 -0.000 0.000 0.280 155 Y C 2.245 178.122 175.900 -0.037 0.000 1.178 155 Y CA 1.097 59.192 58.100 -0.008 0.000 1.146 155 Y CB -1.113 37.348 38.460 0.002 0.000 0.968 155 Y HN 0.004 nan 8.280 nan 0.000 0.504 156 S N -0.433 115.330 115.700 0.105 0.000 2.556 156 S HA 0.304 4.774 4.470 -0.000 0.000 0.216 156 S C 0.893 175.497 174.600 0.007 0.000 0.970 156 S CA -0.052 58.165 58.200 0.029 0.000 0.912 156 S CB -0.072 63.135 63.200 0.011 0.000 0.790 156 S HN 0.363 nan 8.310 nan 0.000 0.504 157 A N 1.402 124.225 122.820 0.004 0.000 2.583 157 A HA 0.402 4.722 4.320 -0.000 0.000 0.249 157 A C 1.636 179.220 177.584 0.000 0.000 1.035 157 A CA 0.746 52.780 52.037 -0.005 0.000 0.777 157 A CB -0.964 18.030 19.000 -0.010 0.000 0.942 157 A HN 1.055 nan 8.150 nan 0.000 0.516 158 G N 1.968 110.767 108.800 -0.001 0.000 2.245 158 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.264 158 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.264 158 G C 0.978 175.881 174.900 0.006 0.000 0.985 158 G CA 1.126 46.228 45.100 0.002 0.000 0.625 158 G HN 0.727 nan 8.290 nan 0.000 0.536 159 M N 0.113 119.715 119.600 0.004 0.000 2.288 159 M HA 0.372 4.852 4.480 -0.000 0.000 0.266 159 M C 1.651 177.960 176.300 0.015 0.000 1.072 159 M CA 1.679 56.984 55.300 0.009 0.000 1.132 159 M CB -0.078 32.517 32.600 -0.009 0.000 1.386 159 M HN 1.479 nan 8.290 nan 0.000 0.432 160 G N 0.512 109.317 108.800 0.007 0.000 2.483 160 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.521 160 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.521 160 G C -0.994 173.907 174.900 0.002 0.000 1.278 160 G CA -1.137 43.967 45.100 0.007 0.000 0.965 160 G HN 0.185 nan 8.290 nan 0.000 0.504 161 L N 1.001 122.223 121.223 -0.002 0.000 2.416 161 L HA 0.364 4.704 4.340 -0.000 0.000 0.272 161 L C 1.387 178.255 176.870 -0.003 0.000 1.161 161 L CA -0.664 54.167 54.840 -0.014 0.000 0.845 161 L CB 0.662 42.704 42.059 -0.027 0.000 1.119 161 L HN 0.511 nan 8.230 nan 0.000 0.464 162 M N 2.923 122.512 119.600 -0.019 0.000 2.114 162 M HA 0.306 4.786 4.480 -0.000 0.000 0.293 162 M C -1.833 174.444 176.300 -0.038 0.000 1.201 162 M CA -1.983 53.316 55.300 -0.002 0.000 1.107 162 M CB -0.788 31.785 32.600 -0.045 0.000 1.405 162 M HN 0.256 nan 8.290 nan 0.000 0.486 163 P HA 0.035 nan 4.420 nan 0.000 0.264 163 P C -0.029 177.172 177.300 -0.166 0.000 1.173 163 P CA 0.308 63.369 63.100 -0.064 0.000 0.761 163 P CB 0.209 31.918 31.700 0.015 0.000 0.794 164 G N 0.387 109.060 108.800 -0.213 0.000 2.525 164 G HA2 0.254 4.214 3.960 -0.000 0.000 0.287 164 G HA3 0.254 4.214 3.960 -0.000 0.000 0.287 164 G C -0.573 174.156 174.900 -0.285 0.000 1.350 164 G CA -0.586 44.316 45.100 -0.330 0.000 1.039 164 G HN 0.797 nan 8.290 nan 0.000 0.513 165 H N -3.400 115.521 119.070 -0.248 0.000 2.886 165 H HA -0.151 4.405 4.556 -0.000 0.000 0.294 165 H C -0.725 174.381 175.328 -0.369 0.000 1.246 165 H CA 0.018 55.914 56.048 -0.254 0.000 1.142 165 H CB -1.670 28.126 29.762 0.057 0.000 1.358 165 H HN 0.261 nan 8.280 nan 0.000 0.406 166 V N 1.547 121.122 119.914 -0.564 0.000 2.483 166 V HA 0.355 4.475 4.120 -0.000 0.000 0.297 166 V C -0.289 175.421 176.094 -0.639 0.000 1.027 166 V CA -0.692 61.368 62.300 -0.400 0.000 0.855 166 V CB 1.049 32.674 31.823 -0.329 0.000 0.995 166 V HN 0.188 nan 8.190 nan 0.000 0.424 167 Y N 2.969 123.256 120.300 -0.022 0.000 2.409 167 Y HA 0.741 5.290 4.550 -0.000 0.000 0.339 167 Y C 0.305 176.144 175.900 -0.102 0.000 1.033 167 Y CA -0.957 57.113 58.100 -0.051 0.000 1.094 167 Y CB 1.408 39.839 38.460 -0.049 0.000 1.210 167 Y HN 0.498 nan 8.280 nan 0.000 0.456 168 R N 1.833 122.342 120.500 0.016 0.000 2.254 168 R HA 0.759 5.099 4.340 -0.000 0.000 0.318 168 R C -1.020 175.207 176.300 -0.121 0.000 1.031 168 R CA -0.281 55.785 56.100 -0.057 0.000 0.905 168 R CB 0.359 30.643 30.300 -0.026 0.000 1.050 168 R HN 0.824 nan 8.270 nan 0.000 0.456 169 A N 4.473 127.128 122.820 -0.275 0.000 2.322 169 A HA 0.636 4.956 4.320 -0.000 0.000 0.327 169 A C -0.999 176.503 177.584 -0.137 0.000 1.134 169 A CA -0.849 50.975 52.037 -0.354 0.000 0.831 169 A CB 0.961 19.464 19.000 -0.829 0.000 1.288 169 A HN 0.651 nan 8.150 nan 0.000 0.472 170 L N 0.897 122.143 121.223 0.038 0.000 2.312 170 L HA 0.308 4.647 4.340 -0.000 0.000 0.281 170 L C -0.619 176.501 176.870 0.416 0.000 1.070 170 L CA -0.433 54.520 54.840 0.189 0.000 0.805 170 L CB 0.753 42.868 42.059 0.094 0.000 1.174 170 L HN 0.751 nan 8.230 nan 0.000 0.434 171 Y N 5.312 125.771 120.300 0.264 0.000 2.335 171 Y HA 0.246 4.796 4.550 -0.000 0.000 0.331 171 Y C -1.864 173.948 175.900 -0.147 0.000 1.094 171 Y CA -1.948 56.200 58.100 0.080 0.000 1.253 171 Y CB 0.937 39.414 38.460 0.027 0.000 1.203 171 Y HN 0.347 nan 8.280 nan 0.000 0.508 172 P HA 0.020 nan 4.420 nan 0.000 0.267 172 P C -0.869 176.286 177.300 -0.241 0.000 1.205 172 P CA 0.125 62.913 63.100 -0.520 0.000 0.765 172 P CB 0.705 31.833 31.700 -0.952 0.000 0.828 173 C N 6.276 125.485 119.300 -0.150 0.000 3.354 173 C HA 0.286 4.746 4.460 -0.000 0.000 0.314 173 C C -1.660 173.269 174.990 -0.102 0.000 1.019 173 C CA -1.425 57.504 59.018 -0.148 0.000 1.293 173 C CB -0.046 27.528 27.740 -0.277 0.000 1.747 173 C HN 0.371 nan 8.230 nan 0.000 0.580 174 P HA -0.161 nan 4.420 nan 0.000 0.216 174 P C 1.730 178.992 177.300 -0.064 0.000 1.153 174 P CA 1.127 64.198 63.100 -0.048 0.000 0.858 174 P CB 0.108 31.791 31.700 -0.028 0.000 0.789 175 L N -0.926 120.233 121.223 -0.106 0.000 2.064 175 L HA -0.205 4.135 4.340 -0.000 0.000 0.216 175 L C 1.462 178.109 176.870 -0.371 0.000 1.077 175 L CA 2.061 56.755 54.840 -0.243 0.000 0.766 175 L CB -1.022 40.871 42.059 -0.277 0.000 0.890 175 L HN 0.178 nan 8.230 nan 0.000 0.435 176 H N -0.963 118.058 119.070 -0.082 0.000 2.488 176 H HA 0.361 4.917 4.556 -0.000 0.000 0.294 176 H C 1.389 176.693 175.328 -0.040 0.000 1.088 176 H CA 0.475 56.489 56.048 -0.057 0.000 1.086 176 H CB -0.014 29.711 29.762 -0.062 0.000 1.569 176 H HN 0.455 nan 8.280 nan 0.000 0.548 177 G N 1.327 110.149 108.800 0.037 0.000 2.162 177 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.260 177 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.260 177 G C 0.132 175.040 174.900 0.014 0.000 0.976 177 G CA -0.095 45.020 45.100 0.025 0.000 0.655 177 G HN 0.269 nan 8.290 nan 0.000 0.533 178 I N 2.603 123.173 120.570 -0.000 0.000 2.337 178 I HA 0.368 4.538 4.170 -0.000 0.000 0.285 178 I C 1.120 177.209 176.117 -0.046 0.000 1.041 178 I CA -0.593 60.697 61.300 -0.016 0.000 1.199 178 I CB 0.437 38.426 38.000 -0.018 0.000 1.370 178 I HN 0.355 nan 8.210 nan 0.000 0.470 179 S N 4.510 120.193 115.700 -0.029 0.000 2.614 179 S HA 0.253 4.723 4.470 -0.000 0.000 0.265 179 S C 0.988 175.555 174.600 -0.055 0.000 1.303 179 S CA -0.444 57.736 58.200 -0.034 0.000 1.000 179 S CB 1.498 64.697 63.200 -0.001 0.000 0.935 179 S HN 0.581 nan 8.310 nan 0.000 0.551 180 E N 0.537 120.709 120.200 -0.048 0.000 2.153 180 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 180 E C 1.029 177.694 176.600 0.107 0.000 0.988 180 E CA 1.299 57.690 56.400 -0.015 0.000 0.811 180 E CB -0.208 29.550 29.700 0.097 0.000 0.746 180 E HN 0.648 nan 8.360 nan 0.000 0.466 181 D N 0.977 121.426 120.400 0.082 0.000 2.117 181 D HA -0.136 4.504 4.640 -0.000 0.000 0.197 181 D C 1.548 177.901 176.300 0.088 0.000 0.987 181 D CA 0.889 54.946 54.000 0.096 0.000 0.829 181 D CB -0.210 40.631 40.800 0.068 0.000 0.961 181 D HN 0.103 nan 8.370 nan 0.000 0.460 182 D N 0.292 120.724 120.400 0.053 0.000 2.117 182 D HA -0.103 4.537 4.640 -0.000 0.000 0.197 182 D C 1.994 178.330 176.300 0.060 0.000 0.987 182 D CA 1.180 55.207 54.000 0.045 0.000 0.829 182 D CB -0.170 40.642 40.800 0.021 0.000 0.961 182 D HN 0.131 nan 8.370 nan 0.000 0.460 183 A N 1.445 124.299 122.820 0.057 0.000 1.865 183 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 183 A C 2.224 179.938 177.584 0.217 0.000 1.191 183 A CA 1.023 53.129 52.037 0.116 0.000 0.623 183 A CB -0.570 18.397 19.000 -0.055 0.000 0.826 183 A HN 0.114 nan 8.150 nan 0.000 0.444 184 I N 0.013 120.744 120.570 0.269 0.000 2.226 184 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 184 I C 2.951 179.117 176.117 0.081 0.000 1.100 184 I CA 1.422 62.828 61.300 0.178 0.000 1.374 184 I CB -1.646 36.469 38.000 0.192 0.000 1.057 184 I HN 0.373 nan 8.210 nan 0.000 0.413 185 A N 1.043 123.941 122.820 0.130 0.000 1.940 185 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 185 A C 2.539 180.152 177.584 0.049 0.000 1.176 185 A CA 2.357 54.474 52.037 0.132 0.000 0.631 185 A CB -0.861 18.198 19.000 0.099 0.000 0.814 185 A HN 0.564 nan 8.150 nan 0.000 0.446 186 S N -0.120 115.586 115.700 0.009 0.000 2.419 186 S HA -0.102 4.368 4.470 -0.000 0.000 0.233 186 S C 1.820 176.324 174.600 -0.161 0.000 1.016 186 S CA 1.365 59.537 58.200 -0.047 0.000 0.974 186 S CB -0.705 62.476 63.200 -0.031 0.000 0.786 186 S HN 0.508 nan 8.310 nan 0.000 0.492 187 I N 1.047 121.470 120.570 -0.245 0.000 2.233 187 I HA -0.110 4.060 4.170 -0.000 0.000 0.243 187 I C 2.754 178.417 176.117 -0.757 0.000 1.093 187 I CA 1.261 62.243 61.300 -0.530 0.000 1.380 187 I CB -0.591 37.075 38.000 -0.557 0.000 1.067 187 I HN 0.324 nan 8.210 nan 0.000 0.413 188 H N 0.694 119.555 119.070 -0.348 0.000 2.421 188 H HA -0.136 4.420 4.556 -0.000 0.000 0.298 188 H C 2.278 177.533 175.328 -0.122 0.000 1.087 188 H CA 1.229 57.172 56.048 -0.175 0.000 1.330 188 H CB -0.269 29.503 29.762 0.017 0.000 1.388 188 H HN 0.285 nan 8.280 nan 0.000 0.526 189 R N 0.585 121.069 120.500 -0.026 0.000 2.096 189 R HA -0.080 4.260 4.340 -0.000 0.000 0.235 189 R C 2.324 178.587 176.300 -0.061 0.000 1.127 189 R CA 0.997 57.087 56.100 -0.018 0.000 0.968 189 R CB -0.139 30.148 30.300 -0.022 0.000 0.861 189 R HN 0.212 nan 8.270 nan 0.000 0.440 190 I N -0.173 120.292 120.570 -0.175 0.000 2.202 190 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 190 I C 1.860 177.912 176.117 -0.109 0.000 1.091 190 I CA 1.371 62.553 61.300 -0.196 0.000 1.368 190 I CB -0.318 37.500 38.000 -0.304 0.000 1.058 190 I HN 0.194 nan 8.210 nan 0.000 0.410 191 F N 0.956 120.826 119.950 -0.134 0.000 2.126 191 F HA -0.301 4.226 4.527 -0.000 0.000 0.299 191 F C 2.634 178.373 175.800 -0.102 0.000 1.096 191 F CA 0.959 58.873 58.000 -0.144 0.000 1.255 191 F CB -0.229 38.705 39.000 -0.110 0.000 0.997 191 F HN 0.017 nan 8.300 nan 0.000 0.479 192 K N 0.655 121.138 120.400 0.139 0.000 2.076 192 K HA -0.063 4.257 4.320 -0.000 0.000 0.204 192 K C 1.461 178.075 176.600 0.023 0.000 1.051 192 K CA 1.389 57.717 56.287 0.069 0.000 0.949 192 K CB -0.266 32.274 32.500 0.067 0.000 0.726 192 K HN 0.072 nan 8.250 nan 0.000 0.443 193 N N -0.194 118.509 118.700 0.006 0.000 2.387 193 N HA -0.017 4.722 4.740 -0.000 0.000 0.176 193 N C 0.444 175.944 175.510 -0.017 0.000 1.022 193 N CA 1.040 54.089 53.050 -0.002 0.000 0.883 193 N CB 0.423 38.913 38.487 0.005 0.000 1.019 193 N HN 0.249 nan 8.380 nan 0.000 0.435 194 D N -0.517 119.841 120.400 -0.069 0.000 2.403 194 D HA 0.224 4.864 4.640 -0.000 0.000 0.280 194 D C -0.279 175.861 176.300 -0.265 0.000 1.091 194 D CA 0.262 54.196 54.000 -0.110 0.000 0.884 194 D CB 1.603 42.373 40.800 -0.050 0.000 1.427 194 D HN 0.030 nan 8.370 nan 0.000 0.504 195 A N 1.022 123.630 122.820 -0.354 0.000 2.466 195 A HA 0.645 4.965 4.320 -0.000 0.000 0.284 195 A C -0.547 176.956 177.584 -0.134 0.000 1.049 195 A CA -0.439 51.383 52.037 -0.359 0.000 0.760 195 A CB 1.358 19.872 19.000 -0.810 0.000 1.274 195 A HN 0.061 nan 8.150 nan 0.000 0.412 196 A N 3.802 126.552 122.820 -0.117 0.000 2.425 196 A HA 0.620 4.940 4.320 -0.000 0.000 0.242 196 A C -1.380 176.053 177.584 -0.251 0.000 1.077 196 A CA -1.012 50.935 52.037 -0.150 0.000 0.781 196 A CB -0.204 18.711 19.000 -0.141 0.000 1.020 196 A HN 0.528 nan 8.150 nan 0.000 0.494 197 P HA -0.228 nan 4.420 nan 0.000 0.216 197 P C 1.196 178.312 177.300 -0.308 0.000 1.153 197 P CA 1.735 64.361 63.100 -0.790 0.000 0.858 197 P CB 0.028 30.926 31.700 -1.336 0.000 0.789 198 E N -0.853 119.212 120.200 -0.225 0.000 2.463 198 E HA -0.189 4.160 4.350 -0.000 0.000 0.201 198 E C 0.555 177.105 176.600 -0.083 0.000 1.045 198 E CA 1.137 57.467 56.400 -0.116 0.000 0.872 198 E CB -0.784 28.862 29.700 -0.091 0.000 0.797 198 E HN 0.311 nan 8.360 nan 0.000 0.538 199 D N 0.238 120.584 120.400 -0.091 0.000 2.433 199 D HA 0.160 4.800 4.640 -0.000 0.000 0.211 199 D C -0.049 176.242 176.300 -0.015 0.000 1.114 199 D CA -0.208 53.757 54.000 -0.058 0.000 0.837 199 D CB 0.664 41.417 40.800 -0.079 0.000 0.984 199 D HN 0.112 nan 8.370 nan 0.000 0.505 200 I N 1.766 122.333 120.570 -0.005 0.000 2.306 200 I HA 0.207 4.377 4.170 -0.000 0.000 0.288 200 I C 1.366 177.518 176.117 0.059 0.000 1.036 200 I CA -0.320 61.019 61.300 0.065 0.000 1.221 200 I CB 0.992 39.073 38.000 0.135 0.000 1.385 200 I HN -0.195 nan 8.210 nan 0.000 0.472 201 A N 5.476 128.336 122.820 0.066 0.000 1.970 201 A HA 0.484 4.804 4.320 -0.000 0.000 0.216 201 A C 1.045 178.665 177.584 0.060 0.000 1.170 201 A CA 1.124 53.190 52.037 0.048 0.000 0.645 201 A CB 0.186 19.209 19.000 0.038 0.000 0.816 201 A HN 0.762 nan 8.150 nan 0.000 0.447 202 A N -1.489 121.384 122.820 0.088 0.000 2.612 202 A HA 0.664 4.984 4.320 -0.000 0.000 0.293 202 A C -1.330 176.324 177.584 0.118 0.000 1.075 202 A CA -0.458 51.634 52.037 0.092 0.000 0.680 202 A CB 0.627 19.669 19.000 0.070 0.000 1.279 202 A HN 0.223 nan 8.150 nan 0.000 0.411 203 I N 1.563 122.209 120.570 0.127 0.000 2.410 203 I HA 0.391 4.560 4.170 -0.000 0.000 0.286 203 I C -0.817 175.416 176.117 0.193 0.000 1.009 203 I CA -0.878 60.523 61.300 0.167 0.000 1.111 203 I CB 1.884 40.001 38.000 0.194 0.000 1.262 203 I HN 0.363 nan 8.210 nan 0.000 0.443 204 V N 7.545 127.576 119.914 0.194 0.000 2.407 204 V HA 0.505 4.625 4.120 -0.000 0.000 0.278 204 V C -0.049 176.250 176.094 0.341 0.000 1.037 204 V CA -0.448 61.937 62.300 0.141 0.000 0.900 204 V CB 1.826 33.587 31.823 -0.105 0.000 0.983 204 V HN 0.559 nan 8.190 nan 0.000 0.459 205 I N 2.842 123.590 120.570 0.297 0.000 2.827 205 I HA 0.491 4.661 4.170 -0.000 0.000 0.298 205 I C -0.716 175.573 176.117 0.287 0.000 1.235 205 I CA -0.590 60.903 61.300 0.322 0.000 1.021 205 I CB 2.948 41.023 38.000 0.125 0.000 1.259 205 I HN 0.634 nan 8.210 nan 0.000 0.427 206 E N 7.252 127.622 120.200 0.283 0.000 2.115 206 E HA 0.260 4.609 4.350 -0.000 0.000 0.282 206 E C -1.958 174.767 176.600 0.209 0.000 0.987 206 E CA -1.577 54.941 56.400 0.197 0.000 0.797 206 E CB 1.490 31.235 29.700 0.075 0.000 1.086 206 E HN 0.369 nan 8.360 nan 0.000 0.397 207 P HA -0.161 nan 4.420 nan 0.000 0.216 207 P C -0.242 177.159 177.300 0.170 0.000 1.150 207 P CA 0.981 64.174 63.100 0.155 0.000 0.843 207 P CB 0.336 32.104 31.700 0.113 0.000 0.787 208 V N -0.040 119.927 119.914 0.088 0.000 2.482 208 V HA 0.159 4.279 4.120 -0.000 0.000 0.295 208 V C -0.144 175.909 176.094 -0.068 0.000 1.026 208 V CA -0.805 61.503 62.300 0.013 0.000 0.856 208 V CB 1.586 33.338 31.823 -0.118 0.000 1.001 208 V HN -0.083 nan 8.190 nan 0.000 0.424 209 Q N 2.228 121.949 119.800 -0.131 0.000 2.311 209 Q HA 0.251 4.591 4.340 -0.000 0.000 0.272 209 Q C 1.123 177.090 176.000 -0.055 0.000 1.012 209 Q CA 0.620 56.315 55.803 -0.180 0.000 0.891 209 Q CB 1.651 30.176 28.738 -0.355 0.000 1.201 209 Q HN 0.939 nan 8.270 nan 0.000 0.391 210 G N 2.278 111.079 108.800 0.001 0.000 2.670 210 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.219 210 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.219 210 G C 0.844 175.829 174.900 0.143 0.000 1.342 210 G CA -0.000 45.187 45.100 0.146 0.000 0.902 210 G HN 0.541 nan 8.290 nan 0.000 0.553 211 E N 1.133 121.328 120.200 -0.010 0.000 2.204 211 E HA -0.075 4.275 4.350 -0.000 0.000 0.195 211 E C 2.534 179.088 176.600 -0.077 0.000 0.990 211 E CA 0.910 57.248 56.400 -0.103 0.000 0.821 211 E CB -0.781 28.773 29.700 -0.244 0.000 0.750 211 E HN 0.371 nan 8.360 nan 0.000 0.477 212 G N 0.155 108.931 108.800 -0.041 0.000 2.625 212 G HA2 0.029 3.989 3.960 -0.000 0.000 0.214 212 G HA3 0.029 3.989 3.960 -0.000 0.000 0.214 212 G C 1.041 175.928 174.900 -0.022 0.000 1.132 212 G CA 0.708 45.784 45.100 -0.040 0.000 0.782 212 G HN 0.442 nan 8.290 nan 0.000 0.538 213 G N -1.512 107.221 108.800 -0.111 0.000 2.151 213 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.140 213 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.140 213 G C 0.373 175.011 174.900 -0.437 0.000 1.020 213 G CA -0.172 44.712 45.100 -0.360 0.000 0.688 213 G HN 0.637 nan 8.290 nan 0.000 0.500 214 F N -1.076 118.641 119.950 -0.388 0.000 3.039 214 F HA -0.178 4.349 4.527 -0.000 0.000 0.287 214 F C 0.351 175.981 175.800 -0.284 0.000 0.956 214 F CA 0.159 57.991 58.000 -0.279 0.000 0.971 214 F CB -2.310 36.554 39.000 -0.226 0.000 0.943 214 F HN 0.494 nan 8.300 nan 0.000 0.766 215 Y N -0.379 119.976 120.300 0.091 0.000 2.328 215 Y HA 0.638 5.188 4.550 -0.000 0.000 0.337 215 Y C 0.556 176.532 175.900 0.127 0.000 1.008 215 Y CA -0.586 57.575 58.100 0.101 0.000 1.129 215 Y CB 1.226 39.747 38.460 0.102 0.000 1.185 215 Y HN 0.279 nan 8.280 nan 0.000 0.476 216 A N 2.376 125.371 122.820 0.292 0.000 2.312 216 A HA 0.555 4.874 4.320 -0.000 0.000 0.328 216 A C -0.099 177.612 177.584 0.212 0.000 1.158 216 A CA -0.659 51.509 52.037 0.218 0.000 0.821 216 A CB 1.029 20.091 19.000 0.105 0.000 1.170 216 A HN 0.628 nan 8.150 nan 0.000 0.490 217 S N 1.140 116.943 115.700 0.172 0.000 2.584 217 S HA 0.498 4.968 4.470 -0.000 0.000 0.273 217 S C 0.569 175.219 174.600 0.083 0.000 1.311 217 S CA 0.100 58.325 58.200 0.042 0.000 1.034 217 S CB 0.364 63.618 63.200 0.091 0.000 0.939 217 S HN 1.635 nan 8.310 nan 0.000 0.513 218 S N 3.751 119.503 115.700 0.088 0.000 2.652 218 S HA 0.483 4.953 4.470 -0.000 0.000 0.270 218 S C -2.100 172.564 174.600 0.106 0.000 1.243 218 S CA -1.149 57.105 58.200 0.090 0.000 0.999 218 S CB 0.773 64.020 63.200 0.078 0.000 0.973 218 S HN 0.560 nan 8.310 nan 0.000 0.544 219 P HA -0.018 nan 4.420 nan 0.000 0.216 219 P C 1.674 179.001 177.300 0.044 0.000 1.153 219 P CA 1.945 65.075 63.100 0.049 0.000 0.848 219 P CB -0.257 31.465 31.700 0.036 0.000 0.787 220 A N -0.873 121.982 122.820 0.059 0.000 1.892 220 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 220 A C 2.158 179.779 177.584 0.062 0.000 1.188 220 A CA 1.836 53.907 52.037 0.056 0.000 0.631 220 A CB -1.895 17.146 19.000 0.069 0.000 0.822 220 A HN 0.186 nan 8.150 nan 0.000 0.447 221 F N -0.605 119.329 119.950 -0.028 0.000 2.113 221 F HA -0.101 4.426 4.527 -0.000 0.000 0.297 221 F C 2.120 177.893 175.800 -0.044 0.000 1.103 221 F CA 2.131 60.102 58.000 -0.047 0.000 1.248 221 F CB -0.298 38.642 39.000 -0.100 0.000 0.999 221 F HN 0.231 nan 8.300 nan 0.000 0.475 222 M N 0.785 120.290 119.600 -0.159 0.000 2.149 222 M HA -0.219 4.261 4.480 -0.000 0.000 0.261 222 M C 2.096 178.274 176.300 -0.204 0.000 1.064 222 M CA 1.745 56.914 55.300 -0.217 0.000 1.102 222 M CB -0.708 31.874 32.600 -0.029 0.000 1.369 222 M HN 0.305 nan 8.290 nan 0.000 0.408 223 Q N -1.100 118.625 119.800 -0.124 0.000 2.119 223 Q HA -0.121 4.219 4.340 -0.000 0.000 0.201 223 Q C 2.163 178.098 176.000 -0.109 0.000 0.972 223 Q CA 1.384 57.137 55.803 -0.082 0.000 0.847 223 Q CB -0.098 28.620 28.738 -0.034 0.000 0.903 223 Q HN 0.508 nan 8.270 nan 0.000 0.433 224 R N -0.074 120.329 120.500 -0.161 0.000 2.115 224 R HA -0.107 4.233 4.340 -0.000 0.000 0.230 224 R C 2.143 178.328 176.300 -0.191 0.000 1.111 224 R CA 0.752 56.768 56.100 -0.139 0.000 0.976 224 R CB -0.192 30.037 30.300 -0.118 0.000 0.870 224 R HN 0.162 nan 8.270 nan 0.000 0.445 225 L N 0.925 121.927 121.223 -0.368 0.000 2.072 225 L HA -0.088 4.251 4.340 -0.000 0.000 0.205 225 L C 2.323 179.122 176.870 -0.118 0.000 1.079 225 L CA 1.666 56.327 54.840 -0.298 0.000 0.752 225 L CB -0.365 41.412 42.059 -0.470 0.000 0.906 225 L HN -0.095 nan 8.230 nan 0.000 0.436 226 R N 0.226 120.661 120.500 -0.109 0.000 2.081 226 R HA -0.070 4.270 4.340 -0.000 0.000 0.235 226 R C 2.108 178.394 176.300 -0.023 0.000 1.131 226 R CA 1.770 57.844 56.100 -0.042 0.000 0.960 226 R CB -0.883 29.397 30.300 -0.034 0.000 0.856 226 R HN 0.440 nan 8.270 nan 0.000 0.436 227 A N 0.629 123.430 122.820 -0.032 0.000 1.930 227 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 227 A C 2.258 179.843 177.584 0.003 0.000 1.175 227 A CA 1.396 53.423 52.037 -0.016 0.000 0.627 227 A CB -0.682 18.311 19.000 -0.013 0.000 0.815 227 A HN 0.443 nan 8.150 nan 0.000 0.443 228 L N -0.647 120.595 121.223 0.033 0.000 2.027 228 L HA -0.205 4.135 4.340 -0.000 0.000 0.206 228 L C 2.513 179.476 176.870 0.154 0.000 1.074 228 L CA 1.907 56.821 54.840 0.123 0.000 0.745 228 L CB -0.401 41.735 42.059 0.129 0.000 0.898 228 L HN 0.475 nan 8.230 nan 0.000 0.433 229 C N 0.211 119.574 119.300 0.104 0.000 2.432 229 C HA -0.157 4.303 4.460 -0.000 0.000 0.277 229 C C 2.313 177.328 174.990 0.041 0.000 1.249 229 C CA 0.782 59.862 59.018 0.103 0.000 1.725 229 C CB -1.015 26.765 27.740 0.068 0.000 2.028 229 C HN 0.608 nan 8.230 nan 0.000 0.477 230 D N 0.396 120.795 120.400 -0.002 0.000 2.116 230 D HA -0.170 4.470 4.640 -0.000 0.000 0.193 230 D C 2.071 178.322 176.300 -0.082 0.000 0.998 230 D CA 1.457 55.434 54.000 -0.038 0.000 0.836 230 D CB -0.617 40.159 40.800 -0.039 0.000 0.951 230 D HN 0.658 nan 8.370 nan 0.000 0.449 231 E N -0.463 119.656 120.200 -0.135 0.000 2.160 231 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 231 E C 0.997 177.331 176.600 -0.443 0.000 0.991 231 E CA 0.980 57.199 56.400 -0.302 0.000 0.810 231 E CB 0.134 29.590 29.700 -0.406 0.000 0.742 231 E HN 0.422 nan 8.360 nan 0.000 0.466 232 H N -1.693 117.349 119.070 -0.048 0.000 2.672 232 H HA 0.222 4.778 4.556 -0.000 0.000 0.277 232 H C 0.988 176.271 175.328 -0.076 0.000 1.074 232 H CA 0.579 56.569 56.048 -0.098 0.000 1.173 232 H CB 1.263 30.914 29.762 -0.186 0.000 1.558 232 H HN 0.334 nan 8.280 nan 0.000 0.539 233 G N 1.893 110.702 108.800 0.016 0.000 2.179 233 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.257 233 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.257 233 G C 0.229 175.140 174.900 0.019 0.000 1.010 233 G CA 0.210 45.309 45.100 -0.001 0.000 0.736 233 G HN 0.354 nan 8.290 nan 0.000 0.513 234 I N 1.071 121.674 120.570 0.056 0.000 2.428 234 I HA 0.293 4.463 4.170 -0.000 0.000 0.289 234 I C 1.026 177.173 176.117 0.050 0.000 1.019 234 I CA -0.738 60.603 61.300 0.068 0.000 1.351 234 I CB 0.915 38.991 38.000 0.126 0.000 1.412 234 I HN -0.016 nan 8.210 nan 0.000 0.513 235 M N 6.547 126.172 119.600 0.042 0.000 2.162 235 M HA 0.196 4.676 4.480 -0.000 0.000 0.356 235 M C -0.537 175.796 176.300 0.055 0.000 1.303 235 M CA -0.607 54.712 55.300 0.031 0.000 1.116 235 M CB 0.677 33.289 32.600 0.019 0.000 1.632 235 M HN 0.304 nan 8.290 nan 0.000 0.469 236 L N 6.229 127.483 121.223 0.051 0.000 2.261 236 L HA 0.469 4.809 4.340 -0.000 0.000 0.289 236 L C -0.841 176.069 176.870 0.067 0.000 1.059 236 L CA 0.214 55.096 54.840 0.070 0.000 0.816 236 L CB 0.056 42.150 42.059 0.058 0.000 1.191 236 L HN 0.554 nan 8.230 nan 0.000 0.431 237 I N 5.500 126.116 120.570 0.077 0.000 2.321 237 I HA 0.474 4.644 4.170 -0.000 0.000 0.291 237 I C 0.226 176.396 176.117 0.087 0.000 0.998 237 I CA -0.579 60.760 61.300 0.064 0.000 1.227 237 I CB 1.535 39.559 38.000 0.041 0.000 1.368 237 I HN 0.748 nan 8.210 nan 0.000 0.466 238 A N 4.872 127.743 122.820 0.084 0.000 2.260 238 A HA 0.277 4.597 4.320 -0.000 0.000 0.312 238 A C -0.405 177.259 177.584 0.133 0.000 1.321 238 A CA -0.470 51.634 52.037 0.113 0.000 0.928 238 A CB 0.269 19.325 19.000 0.094 0.000 1.158 238 A HN 0.675 nan 8.150 nan 0.000 0.542 239 D N 2.680 123.187 120.400 0.178 0.000 2.393 239 D HA 0.128 4.768 4.640 -0.000 0.000 0.232 239 D C 0.209 176.632 176.300 0.205 0.000 1.192 239 D CA 0.196 54.317 54.000 0.202 0.000 0.882 239 D CB 0.512 41.504 40.800 0.320 0.000 1.038 239 D HN 0.571 nan 8.370 nan 0.000 0.499 240 E N 2.952 123.287 120.200 0.225 0.000 2.499 240 E HA 0.058 4.408 4.350 -0.000 0.000 0.207 240 E C 1.457 178.197 176.600 0.234 0.000 1.034 240 E CA -0.142 56.409 56.400 0.252 0.000 1.098 240 E CB 0.987 30.941 29.700 0.423 0.000 1.148 240 E HN 0.328 nan 8.360 nan 0.000 0.447 241 V N 0.826 120.855 119.914 0.192 0.000 2.332 241 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 241 V C 2.358 178.520 176.094 0.112 0.000 1.055 241 V CA 2.143 64.540 62.300 0.162 0.000 1.038 241 V CB -0.185 31.721 31.823 0.140 0.000 0.651 241 V HN 0.344 nan 8.190 nan 0.000 0.450 242 Q N -0.433 119.418 119.800 0.086 0.000 2.390 242 Q HA -0.072 4.268 4.340 -0.000 0.000 0.216 242 Q C 2.307 178.294 176.000 -0.021 0.000 0.916 242 Q CA 1.018 56.843 55.803 0.037 0.000 0.911 242 Q CB 0.125 28.889 28.738 0.044 0.000 1.035 242 Q HN 0.712 nan 8.270 nan 0.000 0.541 243 S N -0.486 115.200 115.700 -0.022 0.000 2.453 243 S HA 0.086 4.556 4.470 -0.000 0.000 0.231 243 S C 1.154 175.703 174.600 -0.085 0.000 1.005 243 S CA 0.274 58.431 58.200 -0.072 0.000 0.949 243 S CB -0.294 62.888 63.200 -0.031 0.000 0.774 243 S HN 0.395 nan 8.310 nan 0.000 0.510 244 G N 0.298 109.064 108.800 -0.057 0.000 2.570 244 G HA2 0.446 4.405 3.960 -0.000 0.000 0.276 244 G HA3 0.446 4.405 3.960 -0.000 0.000 0.276 244 G C 0.604 175.250 174.900 -0.423 0.000 1.346 244 G CA -0.373 44.561 45.100 -0.278 0.000 1.034 244 G HN 1.385 nan 8.290 nan 0.000 0.512 245 A N -2.333 120.018 122.820 -0.782 0.000 2.640 245 A HA 0.248 4.568 4.320 -0.000 0.000 0.300 245 A C 2.100 179.351 177.584 -0.556 0.000 1.499 245 A CA 1.839 53.478 52.037 -0.664 0.000 0.759 245 A CB -1.484 17.321 19.000 -0.325 0.000 1.048 245 A HN 3.000 nan 8.150 nan 0.000 0.450 246 G N -1.493 106.965 108.800 -0.569 0.000 2.205 246 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.261 246 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.261 246 G C 0.882 175.749 174.900 -0.056 0.000 0.980 246 G CA 1.319 46.255 45.100 -0.273 0.000 0.632 246 G HN 1.544 nan 8.290 nan 0.000 0.533 247 R N 1.046 121.493 120.500 -0.089 0.000 2.139 247 R HA -0.066 4.274 4.340 -0.000 0.000 0.243 247 R C 2.790 179.046 176.300 -0.073 0.000 1.145 247 R CA 2.716 58.779 56.100 -0.061 0.000 0.976 247 R CB -0.701 29.541 30.300 -0.098 0.000 0.866 247 R HN 0.747 nan 8.270 nan 0.000 0.449 248 T N -4.272 110.228 114.554 -0.089 0.000 3.144 248 T HA 0.300 4.650 4.350 -0.000 0.000 0.249 248 T C 1.219 175.896 174.700 -0.039 0.000 1.089 248 T CA 0.386 62.443 62.100 -0.071 0.000 0.989 248 T CB 0.538 69.363 68.868 -0.071 0.000 0.992 248 T HN 0.379 nan 8.240 nan 0.000 0.540 249 G N 1.025 109.811 108.800 -0.025 0.000 2.232 249 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.226 249 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.226 249 G C 0.246 175.141 174.900 -0.009 0.000 0.996 249 G CA 0.105 45.203 45.100 -0.004 0.000 0.626 249 G HN 1.192 nan 8.290 nan 0.000 0.509 250 T N -1.771 112.759 114.554 -0.039 0.000 2.916 250 T HA 0.685 5.035 4.350 -0.000 0.000 0.292 250 T C 1.105 175.723 174.700 -0.137 0.000 1.055 250 T CA -0.045 62.026 62.100 -0.050 0.000 1.009 250 T CB 2.148 71.007 68.868 -0.015 0.000 1.118 250 T HN 0.689 nan 8.240 nan 0.000 0.497 251 L N -0.036 121.080 121.223 -0.178 0.000 2.013 251 L HA 0.246 4.586 4.340 -0.000 0.000 0.212 251 L C -0.138 176.375 176.870 -0.594 0.000 1.073 251 L CA 1.819 56.410 54.840 -0.416 0.000 0.753 251 L CB -0.651 41.229 42.059 -0.298 0.000 0.890 251 L HN 0.713 nan 8.230 nan 0.000 0.432 252 F N -2.529 117.348 119.950 -0.122 0.000 2.532 252 F HA 0.499 5.026 4.527 -0.000 0.000 0.321 252 F C 1.100 176.869 175.800 -0.051 0.000 1.089 252 F CA -0.321 57.631 58.000 -0.080 0.000 0.926 252 F CB 1.245 40.206 39.000 -0.065 0.000 1.168 252 F HN -0.135 nan 8.300 nan 0.000 0.459 253 A N 2.672 125.567 122.820 0.125 0.000 1.978 253 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 253 A C 2.119 179.753 177.584 0.084 0.000 1.170 253 A CA 1.433 53.511 52.037 0.069 0.000 0.636 253 A CB -0.474 18.555 19.000 0.050 0.000 0.810 253 A HN 0.737 nan 8.150 nan 0.000 0.448 254 M N -0.238 119.431 119.600 0.115 0.000 2.202 254 M HA -0.177 4.303 4.480 -0.000 0.000 0.262 254 M C 1.756 178.087 176.300 0.051 0.000 1.063 254 M CA 1.363 56.708 55.300 0.075 0.000 1.097 254 M CB -1.432 31.204 32.600 0.061 0.000 1.382 254 M HN 0.553 nan 8.290 nan 0.000 0.413 255 E N 0.054 120.289 120.200 0.058 0.000 2.130 255 E HA -0.231 4.119 4.350 -0.000 0.000 0.196 255 E C 1.783 178.398 176.600 0.024 0.000 0.998 255 E CA 1.082 57.501 56.400 0.032 0.000 0.806 255 E CB -0.173 29.548 29.700 0.036 0.000 0.738 255 E HN 0.653 nan 8.360 nan 0.000 0.459 256 Q N -0.651 119.167 119.800 0.030 0.000 2.444 256 Q HA 0.039 4.379 4.340 -0.000 0.000 0.206 256 Q C 1.458 177.475 176.000 0.028 0.000 0.948 256 Q CA 0.281 56.099 55.803 0.024 0.000 0.946 256 Q CB 0.313 29.065 28.738 0.022 0.000 1.027 256 Q HN 0.253 nan 8.270 nan 0.000 0.513 257 M N -1.433 118.185 119.600 0.031 0.000 2.509 257 M HA 0.157 4.637 4.480 -0.000 0.000 0.250 257 M C 1.156 177.468 176.300 0.020 0.000 1.132 257 M CA 0.735 56.054 55.300 0.030 0.000 1.080 257 M CB -0.101 32.520 32.600 0.034 0.000 1.408 257 M HN 0.326 nan 8.290 nan 0.000 0.484 258 G N 1.260 110.070 108.800 0.016 0.000 2.160 258 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.251 258 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.251 258 G C 0.004 174.911 174.900 0.011 0.000 1.008 258 G CA 0.373 45.480 45.100 0.012 0.000 0.724 258 G HN 0.410 nan 8.290 nan 0.000 0.514 259 V N -0.860 119.063 119.914 0.014 0.000 3.048 259 V HA 0.818 4.938 4.120 -0.000 0.000 0.303 259 V C -0.231 175.881 176.094 0.030 0.000 1.214 259 V CA -0.170 62.142 62.300 0.020 0.000 0.984 259 V CB 2.138 33.966 31.823 0.007 0.000 1.054 259 V HN 1.499 nan 8.190 nan 0.000 0.430 260 A N 6.406 129.261 122.820 0.059 0.000 2.324 260 A HA 1.010 5.330 4.320 -0.000 0.000 0.330 260 A C -2.720 174.935 177.584 0.117 0.000 1.165 260 A CA -1.568 50.516 52.037 0.078 0.000 0.813 260 A CB 1.502 20.561 19.000 0.098 0.000 1.197 260 A HN 0.578 nan 8.150 nan 0.000 0.484 261 P HA 0.309 nan 4.420 nan 0.000 0.280 261 P C -0.556 176.833 177.300 0.149 0.000 1.272 261 P CA -0.299 62.857 63.100 0.094 0.000 0.819 261 P CB 1.293 33.029 31.700 0.060 0.000 1.122 262 D N -0.459 119.996 120.400 0.090 0.000 2.240 262 D HA 0.131 4.770 4.640 -0.000 0.000 0.206 262 D C 0.478 176.823 176.300 0.076 0.000 0.963 262 D CA 1.135 55.174 54.000 0.066 0.000 0.863 262 D CB 0.404 41.203 40.800 -0.000 0.000 0.973 262 D HN 0.256 nan 8.370 nan 0.000 0.501 263 L N -0.148 121.109 121.223 0.056 0.000 2.445 263 L HA 0.355 4.695 4.340 -0.000 0.000 0.262 263 L C -0.769 176.117 176.870 0.028 0.000 0.974 263 L CA -0.409 54.453 54.840 0.038 0.000 0.822 263 L CB 2.801 44.873 42.059 0.022 0.000 1.339 263 L HN -0.343 nan 8.230 nan 0.000 0.409 264 T N 0.120 114.681 114.554 0.012 0.000 2.881 264 T HA 0.525 4.875 4.350 -0.000 0.000 0.290 264 T C -0.392 174.339 174.700 0.052 0.000 1.000 264 T CA -0.625 61.484 62.100 0.014 0.000 0.978 264 T CB 1.823 70.625 68.868 -0.109 0.000 0.997 264 T HN 0.663 nan 8.240 nan 0.000 0.443 265 T N 1.013 115.610 114.554 0.072 0.000 2.859 265 T HA 0.842 5.192 4.350 -0.000 0.000 0.281 265 T C -0.606 174.182 174.700 0.147 0.000 1.005 265 T CA -0.832 61.263 62.100 -0.007 0.000 1.025 265 T CB 0.546 69.408 68.868 -0.010 0.000 0.977 265 T HN 0.522 nan 8.240 nan 0.000 0.458 266 F N -0.167 119.850 119.950 0.112 0.000 2.613 266 F HA 0.978 5.505 4.527 -0.000 0.000 0.310 266 F C -0.347 175.508 175.800 0.092 0.000 1.085 266 F CA -1.104 56.990 58.000 0.157 0.000 0.945 266 F CB 1.101 40.265 39.000 0.272 0.000 1.298 266 F HN 0.997 nan 8.300 nan 0.000 0.455 267 A N 1.130 124.132 122.820 0.303 0.000 5.993 267 A HA 0.594 4.913 4.320 -0.000 0.000 0.146 267 A C 0.272 177.953 177.584 0.162 0.000 0.931 267 A CA -0.123 52.026 52.037 0.187 0.000 1.254 267 A CB -0.473 18.572 19.000 0.074 0.000 2.393 267 A HN 0.897 nan 8.150 nan 0.000 1.132 268 K N -1.073 119.389 120.400 0.103 0.000 2.026 268 K HA -0.285 4.035 4.320 -0.000 0.000 0.145 268 K C 1.483 178.124 176.600 0.068 0.000 0.872 268 K CA 2.137 58.466 56.287 0.070 0.000 0.349 268 K CB -1.558 30.976 32.500 0.056 0.000 0.715 268 K HN 0.517 nan 8.250 nan 0.000 0.815 269 S N 0.456 116.185 115.700 0.049 0.000 2.537 269 S HA -0.076 4.394 4.470 -0.000 0.000 0.240 269 S C 1.601 176.236 174.600 0.057 0.000 0.981 269 S CA 0.889 59.118 58.200 0.048 0.000 0.948 269 S CB -0.220 63.003 63.200 0.038 0.000 0.759 269 S HN 0.335 nan 8.310 nan 0.000 0.531 270 I N 1.755 122.364 120.570 0.065 0.000 2.264 270 I HA -0.150 4.020 4.170 -0.000 0.000 0.248 270 I C 1.725 177.886 176.117 0.072 0.000 1.111 270 I CA 1.347 62.673 61.300 0.044 0.000 1.382 270 I CB -0.243 37.855 38.000 0.163 0.000 1.060 270 I HN 0.231 nan 8.210 nan 0.000 0.418 271 A N -0.511 122.386 122.820 0.128 0.000 2.574 271 A HA 0.536 4.856 4.320 -0.000 0.000 0.283 271 A C 1.479 179.217 177.584 0.257 0.000 1.270 271 A CA 0.191 52.329 52.037 0.169 0.000 0.945 271 A CB -1.052 18.074 19.000 0.209 0.000 1.127 271 A HN 0.654 nan 8.150 nan 0.000 0.522 272 G N -0.598 108.309 108.800 0.178 0.000 2.422 272 G HA2 0.130 4.090 3.960 -0.000 0.000 0.301 272 G HA3 0.130 4.090 3.960 -0.000 0.000 0.301 272 G C 1.289 176.296 174.900 0.177 0.000 0.981 272 G CA 1.020 46.221 45.100 0.167 0.000 0.994 272 G HN 2.139 nan 8.290 nan 0.000 0.514 273 G N -2.807 106.037 108.800 0.074 0.000 2.148 273 G HA2 0.035 3.995 3.960 -0.000 0.000 0.157 273 G HA3 0.035 3.995 3.960 -0.000 0.000 0.157 273 G C -0.021 174.558 174.900 -0.535 0.000 1.012 273 G CA -0.019 44.967 45.100 -0.189 0.000 0.677 273 G HN 1.098 nan 8.290 nan 0.000 0.506 274 F N -0.017 119.948 119.950 0.024 0.000 2.565 274 F HA 0.585 5.112 4.527 -0.000 0.000 0.313 274 F C -2.265 173.550 175.800 0.024 0.000 1.091 274 F CA -2.672 55.342 58.000 0.022 0.000 0.915 274 F CB 2.129 41.145 39.000 0.026 0.000 1.208 274 F HN -0.189 nan 8.300 nan 0.000 0.453 275 P HA 0.214 nan 4.420 nan 0.000 0.263 275 P C -1.127 176.241 177.300 0.114 0.000 1.276 275 P CA 0.381 63.535 63.100 0.089 0.000 0.986 275 P CB 0.247 31.968 31.700 0.036 0.000 1.105 276 L N 2.890 124.181 121.223 0.113 0.000 2.505 276 L HA 0.811 5.151 4.340 -0.000 0.000 0.259 276 L C -1.488 175.436 176.870 0.090 0.000 0.952 276 L CA -0.627 54.277 54.840 0.107 0.000 0.840 276 L CB 2.019 44.159 42.059 0.135 0.000 1.358 276 L HN 0.340 nan 8.230 nan 0.000 0.409 277 A N 2.021 124.850 122.820 0.016 0.000 2.602 277 A HA 1.044 5.364 4.320 -0.000 0.000 0.290 277 A C -0.689 176.661 177.584 -0.390 0.000 1.114 277 A CA -0.063 51.894 52.037 -0.134 0.000 0.683 277 A CB 1.601 20.534 19.000 -0.113 0.000 1.281 277 A HN 1.454 nan 8.150 nan 0.000 0.416 278 G N -1.651 106.549 108.800 -0.999 0.000 2.506 278 G HA2 0.621 4.581 3.960 -0.000 0.000 0.292 278 G HA3 0.621 4.581 3.960 -0.000 0.000 0.292 278 G C -2.066 172.200 174.900 -1.057 0.000 1.425 278 G CA -0.096 44.373 45.100 -1.052 0.000 0.788 278 G HN 1.405 nan 8.290 nan 0.000 0.490 279 V N 0.195 119.842 119.914 -0.445 0.000 2.577 279 V HA 0.741 4.861 4.120 -0.000 0.000 0.303 279 V C -0.397 175.714 176.094 0.028 0.000 1.042 279 V CA -0.576 61.618 62.300 -0.177 0.000 0.872 279 V CB 1.909 33.667 31.823 -0.109 0.000 0.998 279 V HN 0.845 nan 8.190 nan 0.000 0.423 280 T N 3.429 118.045 114.554 0.104 0.000 2.841 280 T HA 0.822 5.172 4.350 -0.000 0.000 0.285 280 T C 0.136 174.862 174.700 0.042 0.000 0.991 280 T CA -0.300 61.856 62.100 0.094 0.000 0.966 280 T CB 1.649 70.572 68.868 0.091 0.000 0.962 280 T HN 1.127 nan 8.240 nan 0.000 0.438 281 G N 1.358 110.193 108.800 0.058 0.000 2.600 281 G HA2 0.548 4.507 3.960 -0.000 0.000 0.293 281 G HA3 0.548 4.507 3.960 -0.000 0.000 0.293 281 G C -1.162 173.823 174.900 0.142 0.000 1.408 281 G CA -1.089 44.068 45.100 0.095 0.000 0.782 281 G HN 0.692 nan 8.290 nan 0.000 0.482 282 R N 0.248 120.859 120.500 0.185 0.000 2.526 282 R HA 0.127 4.467 4.340 -0.000 0.000 0.319 282 R C 1.759 178.094 176.300 0.058 0.000 0.888 282 R CA 0.747 56.914 56.100 0.113 0.000 1.127 282 R CB 0.319 30.520 30.300 -0.165 0.000 0.888 282 R HN 0.702 nan 8.270 nan 0.000 0.410 283 A N 5.191 128.063 122.820 0.086 0.000 1.903 283 A HA -0.264 4.056 4.320 -0.000 0.000 0.219 283 A C 1.844 179.438 177.584 0.017 0.000 1.191 283 A CA 1.940 54.008 52.037 0.052 0.000 0.638 283 A CB -0.438 18.598 19.000 0.060 0.000 0.823 283 A HN 0.934 nan 8.150 nan 0.000 0.451 284 E N 0.218 120.415 120.200 -0.005 0.000 2.153 284 E HA -0.119 4.231 4.350 -0.000 0.000 0.194 284 E C 1.956 178.543 176.600 -0.021 0.000 0.988 284 E CA 1.584 57.974 56.400 -0.018 0.000 0.811 284 E CB -1.044 28.636 29.700 -0.034 0.000 0.746 284 E HN 0.368 nan 8.360 nan 0.000 0.466 285 V N 1.704 121.601 119.914 -0.029 0.000 2.270 285 V HA -0.229 3.890 4.120 -0.000 0.000 0.245 285 V C 2.681 178.769 176.094 -0.010 0.000 1.043 285 V CA 1.859 64.144 62.300 -0.025 0.000 1.014 285 V CB -0.483 31.320 31.823 -0.033 0.000 0.645 285 V HN 0.205 nan 8.190 nan 0.000 0.447 286 M N -0.242 119.360 119.600 0.003 0.000 2.144 286 M HA -0.183 4.297 4.480 -0.000 0.000 0.260 286 M C 1.642 177.947 176.300 0.008 0.000 1.067 286 M CA 1.594 56.900 55.300 0.010 0.000 1.095 286 M CB -1.209 31.405 32.600 0.024 0.000 1.365 286 M HN 0.319 nan 8.290 nan 0.000 0.406 287 D N 0.070 120.474 120.400 0.007 0.000 2.349 287 D HA 0.154 4.793 4.640 -0.000 0.000 0.224 287 D C 1.687 177.987 176.300 -0.001 0.000 1.029 287 D CA 0.352 54.356 54.000 0.006 0.000 0.879 287 D CB 0.090 40.895 40.800 0.008 0.000 0.906 287 D HN 0.261 nan 8.370 nan 0.000 0.528 288 A N -0.057 122.759 122.820 -0.006 0.000 2.121 288 A HA -0.027 4.293 4.320 -0.000 0.000 0.218 288 A C 1.192 178.770 177.584 -0.009 0.000 1.154 288 A CA 0.349 52.380 52.037 -0.010 0.000 0.679 288 A CB 0.101 19.093 19.000 -0.015 0.000 0.795 288 A HN 0.062 nan 8.150 nan 0.000 0.458 289 V N 0.883 120.793 119.914 -0.007 0.000 2.488 289 V HA 0.455 4.575 4.120 -0.000 0.000 0.277 289 V C 0.896 176.988 176.094 -0.003 0.000 1.046 289 V CA -0.507 61.789 62.300 -0.007 0.000 0.986 289 V CB 0.589 32.408 31.823 -0.007 0.000 0.989 289 V HN 0.499 nan 8.190 nan 0.000 0.475 290 A N 8.617 131.434 122.820 -0.005 0.000 2.483 290 A HA 0.476 4.796 4.320 -0.000 0.000 0.238 290 A C -1.828 175.756 177.584 -0.000 0.000 1.070 290 A CA -0.955 51.080 52.037 -0.003 0.000 0.770 290 A CB -0.383 18.614 19.000 -0.005 0.000 1.008 290 A HN 0.720 nan 8.150 nan 0.000 0.497 291 P HA 0.178 nan 4.420 nan 0.000 0.266 291 P C 0.924 178.224 177.300 0.001 0.000 1.193 291 P CA 1.414 64.515 63.100 0.003 0.000 0.770 291 P CB 0.597 32.296 31.700 -0.001 0.000 0.836 292 G N 1.830 110.633 108.800 0.005 0.000 2.225 292 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.254 292 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.254 292 G C 1.145 176.048 174.900 0.005 0.000 0.988 292 G CA 0.338 45.440 45.100 0.004 0.000 0.625 292 G HN 0.798 nan 8.290 nan 0.000 0.527 293 G N -0.197 108.605 108.800 0.004 0.000 2.572 293 G HA2 0.412 4.372 3.960 -0.000 0.000 0.216 293 G HA3 0.412 4.372 3.960 -0.000 0.000 0.216 293 G C 0.667 175.569 174.900 0.004 0.000 1.133 293 G CA 0.688 45.788 45.100 0.000 0.000 0.791 293 G HN 0.602 nan 8.290 nan 0.000 0.538 294 L N 0.402 121.634 121.223 0.015 0.000 2.322 294 L HA 0.745 5.085 4.340 -0.000 0.000 0.281 294 L C 0.431 177.325 176.870 0.041 0.000 1.014 294 L CA -0.570 54.283 54.840 0.023 0.000 0.815 294 L CB 2.112 44.189 42.059 0.030 0.000 1.247 294 L HN 0.143 nan 8.230 nan 0.000 0.421 295 G N 0.961 109.786 108.800 0.042 0.000 2.634 295 G HA2 0.768 4.727 3.960 -0.000 0.000 0.309 295 G HA3 0.768 4.727 3.960 -0.000 0.000 0.309 295 G C -1.109 173.830 174.900 0.066 0.000 1.299 295 G CA -0.254 44.882 45.100 0.060 0.000 0.798 295 G HN 0.856 nan 8.290 nan 0.000 0.490 296 G N -1.954 106.891 108.800 0.075 0.000 2.226 296 G HA2 0.485 4.445 3.960 -0.000 0.000 0.257 296 G HA3 0.485 4.445 3.960 -0.000 0.000 0.257 296 G C 0.340 175.300 174.900 0.100 0.000 1.732 296 G CA 0.621 45.764 45.100 0.073 0.000 0.914 296 G HN 0.951 nan 8.290 nan 0.000 0.742 297 T N 1.362 115.930 114.554 0.023 0.000 2.622 297 T HA -0.155 4.195 4.350 -0.000 0.000 0.266 297 T C 1.837 176.679 174.700 0.235 0.000 1.047 297 T CA 2.372 64.488 62.100 0.026 0.000 1.159 297 T CB -0.220 68.487 68.868 -0.269 0.000 0.863 297 T HN 0.518 nan 8.240 nan 0.000 0.422 298 Y N 1.375 121.811 120.300 0.226 0.000 2.544 298 Y HA 0.553 5.102 4.550 -0.000 0.000 0.286 298 Y C 1.559 177.610 175.900 0.252 0.000 1.141 298 Y CA -1.225 57.026 58.100 0.252 0.000 1.299 298 Y CB -1.069 37.480 38.460 0.148 0.000 1.030 298 Y HN 0.138 nan 8.280 nan 0.000 0.543 299 A N 0.957 123.990 122.820 0.356 0.000 2.600 299 A HA 0.268 4.588 4.320 -0.000 0.000 0.253 299 A C 1.605 179.402 177.584 0.355 0.000 0.997 299 A CA 1.046 53.254 52.037 0.285 0.000 0.820 299 A CB -1.022 18.126 19.000 0.246 0.000 0.888 299 A HN 1.024 nan 8.150 nan 0.000 0.508 300 G N 2.678 111.595 108.800 0.195 0.000 2.314 300 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.292 300 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.292 300 G C 0.202 175.333 174.900 0.385 0.000 1.059 300 G CA 0.314 45.498 45.100 0.141 0.000 0.982 300 G HN 1.372 nan 8.290 nan 0.000 0.505 301 N N 0.412 119.284 118.700 0.287 0.000 2.357 301 N HA 0.042 4.782 4.740 -0.000 0.000 0.257 301 N C -0.295 175.307 175.510 0.155 0.000 1.250 301 N CA -0.333 52.860 53.050 0.240 0.000 0.862 301 N CB 0.882 39.466 38.487 0.162 0.000 1.066 301 N HN 0.088 nan 8.380 nan 0.000 0.468 302 P HA -0.185 nan 4.420 nan 0.000 0.214 302 P C 1.418 178.702 177.300 -0.027 0.000 1.169 302 P CA 1.257 64.290 63.100 -0.112 0.000 0.908 302 P CB 0.176 31.671 31.700 -0.342 0.000 0.791 303 I N -0.409 120.139 120.570 -0.037 0.000 2.163 303 I HA -0.242 3.928 4.170 -0.000 0.000 0.243 303 I C 2.376 178.420 176.117 -0.122 0.000 1.085 303 I CA 1.859 63.111 61.300 -0.080 0.000 1.347 303 I CB -1.492 36.480 38.000 -0.046 0.000 1.044 303 I HN -0.122 nan 8.210 nan 0.000 0.408 304 A N -0.874 121.940 122.820 -0.010 0.000 1.972 304 A HA -0.218 4.101 4.320 -0.000 0.000 0.219 304 A C 2.457 180.047 177.584 0.010 0.000 1.169 304 A CA 1.789 53.844 52.037 0.030 0.000 0.635 304 A CB -1.310 17.776 19.000 0.143 0.000 0.810 304 A HN 0.553 nan 8.150 nan 0.000 0.446 305 C N -0.890 118.430 119.300 0.033 0.000 2.453 305 C HA -0.078 4.382 4.460 -0.000 0.000 0.277 305 C C 2.873 177.865 174.990 0.002 0.000 1.262 305 C CA 1.248 60.290 59.018 0.040 0.000 1.718 305 C CB -1.253 26.558 27.740 0.119 0.000 2.031 305 C HN 0.673 nan 8.230 nan 0.000 0.480 306 V N 0.656 120.556 119.914 -0.022 0.000 2.515 306 V HA -0.052 4.068 4.120 -0.000 0.000 0.250 306 V C 2.453 178.492 176.094 -0.093 0.000 1.058 306 V CA 2.106 64.378 62.300 -0.046 0.000 1.064 306 V CB -1.553 30.238 31.823 -0.053 0.000 0.675 306 V HN 0.427 nan 8.190 nan 0.000 0.461 307 A N 0.958 123.676 122.820 -0.170 0.000 1.877 307 A HA 0.044 4.364 4.320 -0.000 0.000 0.216 307 A C 2.527 180.070 177.584 -0.068 0.000 1.186 307 A CA 2.505 54.415 52.037 -0.212 0.000 0.620 307 A CB -1.149 17.582 19.000 -0.448 0.000 0.822 307 A HN 0.948 nan 8.150 nan 0.000 0.443 308 A N -0.315 122.488 122.820 -0.027 0.000 1.902 308 A HA -0.047 4.272 4.320 -0.000 0.000 0.217 308 A C 2.168 179.736 177.584 -0.027 0.000 1.181 308 A CA 1.521 53.556 52.037 -0.003 0.000 0.623 308 A CB -0.641 18.367 19.000 0.012 0.000 0.818 308 A HN 0.470 nan 8.150 nan 0.000 0.443 309 L N -1.027 120.179 121.223 -0.029 0.000 2.083 309 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 309 L C 2.629 179.483 176.870 -0.027 0.000 1.083 309 L CA 1.644 56.468 54.840 -0.027 0.000 0.752 309 L CB -0.355 41.697 42.059 -0.013 0.000 0.899 309 L HN 0.393 nan 8.230 nan 0.000 0.433 310 E N -0.162 120.016 120.200 -0.036 0.000 2.107 310 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 310 E C 2.148 178.716 176.600 -0.053 0.000 0.982 310 E CA 0.818 57.191 56.400 -0.044 0.000 0.809 310 E CB -0.063 29.603 29.700 -0.056 0.000 0.756 310 E HN 0.155 nan 8.360 nan 0.000 0.459 311 V N 0.616 120.513 119.914 -0.028 0.000 2.343 311 V HA -0.255 3.865 4.120 -0.000 0.000 0.247 311 V C 2.352 178.517 176.094 0.118 0.000 1.051 311 V CA 1.589 63.904 62.300 0.024 0.000 1.036 311 V CB -0.427 31.441 31.823 0.075 0.000 0.654 311 V HN 0.310 nan 8.190 nan 0.000 0.451 312 L N -0.648 120.598 121.223 0.038 0.000 2.046 312 L HA -0.196 4.143 4.340 -0.000 0.000 0.208 312 L C 2.584 179.485 176.870 0.052 0.000 1.077 312 L CA 1.691 56.542 54.840 0.018 0.000 0.747 312 L CB -0.568 41.459 42.059 -0.054 0.000 0.896 312 L HN 0.291 nan 8.230 nan 0.000 0.432 313 K N -0.496 119.914 120.400 0.016 0.000 2.057 313 K HA -0.118 4.202 4.320 -0.000 0.000 0.206 313 K C 2.038 178.643 176.600 0.007 0.000 1.050 313 K CA 1.067 57.359 56.287 0.009 0.000 0.935 313 K CB -0.220 32.275 32.500 -0.009 0.000 0.715 313 K HN 0.093 nan 8.250 nan 0.000 0.439 314 V N 0.943 120.837 119.914 -0.034 0.000 2.343 314 V HA -0.230 3.890 4.120 -0.000 0.000 0.247 314 V C 1.939 177.988 176.094 -0.074 0.000 1.051 314 V CA 1.673 63.903 62.300 -0.117 0.000 1.036 314 V CB -0.518 31.087 31.823 -0.363 0.000 0.654 314 V HN 0.170 nan 8.190 nan 0.000 0.451 315 F N 0.007 119.896 119.950 -0.101 0.000 2.161 315 F HA -0.150 4.376 4.527 -0.000 0.000 0.300 315 F C 2.570 178.337 175.800 -0.055 0.000 1.089 315 F CA 1.811 59.764 58.000 -0.078 0.000 1.282 315 F CB -0.131 38.815 39.000 -0.091 0.000 1.010 315 F HN 0.113 nan 8.300 nan 0.000 0.485 316 E N 0.219 120.497 120.200 0.131 0.000 2.016 316 E HA -0.171 4.179 4.350 -0.000 0.000 0.190 316 E C 2.191 178.809 176.600 0.030 0.000 0.985 316 E CA 1.201 57.640 56.400 0.066 0.000 0.802 316 E CB -0.430 29.295 29.700 0.042 0.000 0.762 316 E HN 0.483 nan 8.360 nan 0.000 0.448 317 Q N 0.009 119.818 119.800 0.016 0.000 2.170 317 Q HA -0.127 4.212 4.340 -0.000 0.000 0.203 317 Q C 1.284 177.284 176.000 -0.000 0.000 0.976 317 Q CA 1.123 56.931 55.803 0.008 0.000 0.858 317 Q CB 0.014 28.756 28.738 0.008 0.000 0.907 317 Q HN 0.292 nan 8.270 nan 0.000 0.433 318 E N -0.112 120.076 120.200 -0.020 0.000 2.501 318 E HA 0.069 4.418 4.350 -0.000 0.000 0.201 318 E C -0.677 175.894 176.600 -0.048 0.000 1.016 318 E CA -0.275 56.105 56.400 -0.033 0.000 0.920 318 E CB 0.369 30.044 29.700 -0.041 0.000 1.023 318 E HN 0.294 nan 8.360 nan 0.000 0.474 319 N N 0.761 119.445 118.700 -0.027 0.000 2.725 319 N HA -0.217 4.523 4.740 -0.000 0.000 0.251 319 N C 0.490 175.978 175.510 -0.037 0.000 1.031 319 N CA 0.194 53.238 53.050 -0.010 0.000 0.720 319 N CB -1.131 37.353 38.487 -0.005 0.000 0.930 319 N HN 0.235 nan 8.380 nan 0.000 0.543 320 L N -0.614 120.543 121.223 -0.110 0.000 2.083 320 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 320 L C 2.166 179.035 176.870 -0.001 0.000 1.083 320 L CA 1.106 55.820 54.840 -0.210 0.000 0.752 320 L CB -0.310 41.265 42.059 -0.806 0.000 0.899 320 L HN 0.434 nan 8.230 nan 0.000 0.433 321 L N -0.387 120.934 121.223 0.163 0.000 2.042 321 L HA -0.261 4.079 4.340 -0.000 0.000 0.210 321 L C 2.729 179.634 176.870 0.057 0.000 1.076 321 L CA 1.317 56.247 54.840 0.150 0.000 0.749 321 L CB -0.474 41.660 42.059 0.125 0.000 0.893 321 L HN 0.312 nan 8.230 nan 0.000 0.432 322 Q N 0.627 120.448 119.800 0.033 0.000 2.123 322 Q HA -0.167 4.173 4.340 -0.000 0.000 0.199 322 Q C 2.056 178.056 176.000 0.000 0.000 0.966 322 Q CA 1.622 57.433 55.803 0.013 0.000 0.845 322 Q CB -0.005 28.738 28.738 0.008 0.000 0.907 322 Q HN 0.298 nan 8.270 nan 0.000 0.439 323 K N -0.403 119.989 120.400 -0.013 0.000 2.147 323 K HA -0.041 4.279 4.320 -0.000 0.000 0.205 323 K C 1.986 178.569 176.600 -0.028 0.000 1.049 323 K CA 0.977 57.247 56.287 -0.029 0.000 0.936 323 K CB -0.201 32.266 32.500 -0.055 0.000 0.722 323 K HN 0.276 nan 8.250 nan 0.000 0.446 324 A N 1.969 124.779 122.820 -0.015 0.000 1.933 324 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 324 A C 1.777 179.355 177.584 -0.011 0.000 1.175 324 A CA 1.510 53.540 52.037 -0.011 0.000 0.628 324 A CB -0.357 18.657 19.000 0.023 0.000 0.814 324 A HN 0.234 nan 8.150 nan 0.000 0.444 325 N N 0.410 119.109 118.700 -0.003 0.000 2.171 325 N HA -0.108 4.632 4.740 -0.000 0.000 0.184 325 N C 1.036 176.543 175.510 -0.004 0.000 1.021 325 N CA 1.428 54.477 53.050 -0.002 0.000 0.854 325 N CB -0.409 38.079 38.487 0.003 0.000 0.994 325 N HN 0.428 nan 8.380 nan 0.000 0.426 326 D N 1.208 121.605 120.400 -0.006 0.000 2.097 326 D HA -0.122 4.518 4.640 -0.000 0.000 0.195 326 D C 2.103 178.397 176.300 -0.008 0.000 0.989 326 D CA 0.442 54.439 54.000 -0.005 0.000 0.827 326 D CB -0.444 40.352 40.800 -0.007 0.000 0.966 326 D HN 0.111 nan 8.370 nan 0.000 0.456 327 L N 1.183 122.395 121.223 -0.019 0.000 2.013 327 L HA -0.071 4.269 4.340 -0.000 0.000 0.212 327 L C 2.184 179.041 176.870 -0.021 0.000 1.073 327 L CA 2.405 57.228 54.840 -0.029 0.000 0.753 327 L CB -1.102 40.925 42.059 -0.054 0.000 0.890 327 L HN 0.070 nan 8.230 nan 0.000 0.432 328 G N -1.517 107.273 108.800 -0.017 0.000 2.440 328 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.218 328 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.218 328 G C 1.514 176.417 174.900 0.005 0.000 1.154 328 G CA 0.880 45.976 45.100 -0.006 0.000 0.767 328 G HN 0.480 nan 8.290 nan 0.000 0.552 329 Q N 0.544 120.347 119.800 0.004 0.000 2.124 329 Q HA 0.003 4.343 4.340 -0.000 0.000 0.202 329 Q C 2.518 178.525 176.000 0.012 0.000 0.977 329 Q CA 1.524 57.332 55.803 0.009 0.000 0.850 329 Q CB -0.187 28.555 28.738 0.008 0.000 0.901 329 Q HN 0.517 nan 8.270 nan 0.000 0.429 330 K N -0.437 119.970 120.400 0.010 0.000 2.025 330 K HA -0.092 4.227 4.320 -0.000 0.000 0.207 330 K C 2.143 178.758 176.600 0.026 0.000 1.049 330 K CA 1.295 57.592 56.287 0.017 0.000 0.933 330 K CB -0.243 32.267 32.500 0.017 0.000 0.714 330 K HN 0.203 nan 8.250 nan 0.000 0.438 331 L N 1.385 122.624 121.223 0.025 0.000 1.989 331 L HA -0.229 4.111 4.340 -0.000 0.000 0.211 331 L C 2.390 179.282 176.870 0.036 0.000 1.071 331 L CA 1.509 56.373 54.840 0.041 0.000 0.749 331 L CB -0.409 41.667 42.059 0.029 0.000 0.890 331 L HN 0.153 nan 8.230 nan 0.000 0.431 332 K N -0.287 120.129 120.400 0.026 0.000 2.097 332 K HA -0.174 4.146 4.320 -0.000 0.000 0.206 332 K C 1.693 178.303 176.600 0.017 0.000 1.049 332 K CA 1.412 57.713 56.287 0.023 0.000 0.933 332 K CB -0.208 32.306 32.500 0.022 0.000 0.717 332 K HN 0.323 nan 8.250 nan 0.000 0.442 333 D N 0.133 120.544 120.400 0.017 0.000 2.117 333 D HA -0.094 4.546 4.640 -0.000 0.000 0.198 333 D C 1.988 178.296 176.300 0.013 0.000 0.982 333 D CA 1.266 55.275 54.000 0.014 0.000 0.828 333 D CB -0.481 40.328 40.800 0.015 0.000 0.967 333 D HN 0.311 nan 8.370 nan 0.000 0.464 334 G N 1.003 109.815 108.800 0.021 0.000 2.459 334 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.217 334 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.217 334 G C 1.804 176.709 174.900 0.008 0.000 1.183 334 G CA 0.429 45.543 45.100 0.023 0.000 0.776 334 G HN 0.245 nan 8.290 nan 0.000 0.552 335 L N -0.066 121.161 121.223 0.006 0.000 2.083 335 L HA -0.003 4.337 4.340 -0.000 0.000 0.209 335 L C 2.898 179.741 176.870 -0.045 0.000 1.083 335 L CA 0.460 55.285 54.840 -0.026 0.000 0.752 335 L CB -0.375 41.677 42.059 -0.011 0.000 0.899 335 L HN 0.171 nan 8.230 nan 0.000 0.433 336 L N -0.504 120.708 121.223 -0.019 0.000 2.083 336 L HA -0.202 4.138 4.340 -0.000 0.000 0.209 336 L C 2.873 179.732 176.870 -0.018 0.000 1.083 336 L CA 1.089 55.920 54.840 -0.016 0.000 0.752 336 L CB -0.664 41.395 42.059 -0.000 0.000 0.899 336 L HN 0.258 nan 8.230 nan 0.000 0.433 337 A N 0.412 123.224 122.820 -0.012 0.000 1.902 337 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 337 A C 2.182 179.759 177.584 -0.012 0.000 1.181 337 A CA 1.550 53.582 52.037 -0.007 0.000 0.623 337 A CB -0.641 18.360 19.000 0.002 0.000 0.818 337 A HN 0.366 nan 8.150 nan 0.000 0.443 338 I N -0.116 120.438 120.570 -0.027 0.000 2.226 338 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 338 I C 2.844 178.947 176.117 -0.024 0.000 1.100 338 I CA 1.093 62.376 61.300 -0.029 0.000 1.374 338 I CB -0.416 37.490 38.000 -0.155 0.000 1.057 338 I HN 0.332 nan 8.210 nan 0.000 0.413 339 A N 0.323 123.091 122.820 -0.087 0.000 2.125 339 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 339 A C 2.071 179.638 177.584 -0.028 0.000 1.156 339 A CA 1.413 53.409 52.037 -0.067 0.000 0.671 339 A CB -0.620 18.345 19.000 -0.059 0.000 0.794 339 A HN 0.483 nan 8.150 nan 0.000 0.459 340 E N -0.614 119.568 120.200 -0.030 0.000 2.427 340 E HA -0.068 4.282 4.350 -0.000 0.000 0.196 340 E C 1.169 177.725 176.600 -0.074 0.000 1.028 340 E CA 0.809 57.188 56.400 -0.035 0.000 0.864 340 E CB 0.059 29.744 29.700 -0.026 0.000 0.813 340 E HN 0.633 nan 8.360 nan 0.000 0.514 341 K N -0.434 119.890 120.400 -0.128 0.000 2.438 341 K HA 0.154 4.474 4.320 -0.000 0.000 0.206 341 K C -0.205 176.031 176.600 -0.607 0.000 1.081 341 K CA 0.023 56.117 56.287 -0.322 0.000 1.053 341 K CB 0.934 33.222 32.500 -0.353 0.000 0.908 341 K HN 0.037 nan 8.250 nan 0.000 0.556 342 H N 0.337 119.375 119.070 -0.052 0.000 3.036 342 H HA 0.155 4.711 4.556 -0.000 0.000 0.295 342 H C -2.412 172.906 175.328 -0.018 0.000 1.124 342 H CA -1.812 54.217 56.048 -0.031 0.000 1.507 342 H CB 1.718 31.417 29.762 -0.104 0.000 1.591 342 H HN -0.146 nan 8.280 nan 0.000 0.510 343 P HA -0.151 nan 4.420 nan 0.000 0.219 343 P C 1.116 178.501 177.300 0.142 0.000 1.146 343 P CA 1.067 64.224 63.100 0.095 0.000 0.808 343 P CB 0.530 32.276 31.700 0.076 0.000 0.779 344 E N -0.632 119.671 120.200 0.171 0.000 2.331 344 E HA -0.094 4.256 4.350 -0.000 0.000 0.199 344 E C 0.593 177.278 176.600 0.143 0.000 1.008 344 E CA 0.554 57.067 56.400 0.189 0.000 0.843 344 E CB -0.767 29.064 29.700 0.218 0.000 0.761 344 E HN 0.349 nan 8.360 nan 0.000 0.507 345 I N 0.920 121.543 120.570 0.088 0.000 2.260 345 I HA 0.094 4.263 4.170 -0.000 0.000 0.297 345 I C 1.359 177.523 176.117 0.077 0.000 1.143 345 I CA -0.239 61.067 61.300 0.010 0.000 1.271 345 I CB 1.008 38.946 38.000 -0.102 0.000 1.461 345 I HN 0.048 nan 8.210 nan 0.000 0.530 346 G N 3.896 112.766 108.800 0.117 0.000 2.813 346 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.209 346 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.209 346 G C 0.062 175.116 174.900 0.257 0.000 1.150 346 G CA 0.325 45.653 45.100 0.379 0.000 0.785 346 G HN 0.583 nan 8.290 nan 0.000 0.535 347 D N -1.392 119.058 120.400 0.083 0.000 2.787 347 D HA 0.346 4.986 4.640 -0.000 0.000 0.215 347 D C -1.363 174.949 176.300 0.020 0.000 1.246 347 D CA -0.392 53.648 54.000 0.068 0.000 0.798 347 D CB 1.894 42.745 40.800 0.085 0.000 1.649 347 D HN -0.123 nan 8.370 nan 0.000 0.507 348 V N 4.152 124.085 119.914 0.032 0.000 2.444 348 V HA 0.749 4.869 4.120 -0.000 0.000 0.294 348 V C -0.039 176.079 176.094 0.041 0.000 1.022 348 V CA -0.514 61.800 62.300 0.023 0.000 0.850 348 V CB 1.366 33.199 31.823 0.016 0.000 0.992 348 V HN 0.660 nan 8.190 nan 0.000 0.426 349 R N 3.094 123.623 120.500 0.049 0.000 2.795 349 R HA 0.960 5.300 4.340 -0.000 0.000 0.268 349 R C -0.344 175.999 176.300 0.072 0.000 1.041 349 R CA -0.659 55.478 56.100 0.063 0.000 0.927 349 R CB 2.289 32.638 30.300 0.082 0.000 1.235 349 R HN 1.187 nan 8.270 nan 0.000 0.463 350 G N 0.503 109.338 108.800 0.058 0.000 2.307 350 G HA2 0.195 4.155 3.960 -0.000 0.000 0.348 350 G HA3 0.195 4.155 3.960 -0.000 0.000 0.348 350 G C -1.587 173.317 174.900 0.007 0.000 1.603 350 G CA -1.057 44.064 45.100 0.036 0.000 0.961 350 G HN 0.391 nan 8.290 nan 0.000 0.686 351 L N 1.885 123.091 121.223 -0.029 0.000 2.325 351 L HA 0.629 4.968 4.340 -0.000 0.000 0.279 351 L C 1.667 178.515 176.870 -0.037 0.000 1.054 351 L CA 0.530 55.354 54.840 -0.026 0.000 0.804 351 L CB 1.159 43.198 42.059 -0.033 0.000 1.200 351 L HN 1.798 nan 8.230 nan 0.000 0.436 352 G N 2.821 111.609 108.800 -0.020 0.000 2.651 352 G HA2 -0.388 3.571 3.960 -0.000 0.000 0.315 352 G HA3 -0.388 3.571 3.960 -0.000 0.000 0.315 352 G C 0.542 175.429 174.900 -0.021 0.000 1.258 352 G CA 0.491 45.579 45.100 -0.020 0.000 1.002 352 G HN 0.942 nan 8.290 nan 0.000 0.551 353 A N -0.837 121.966 122.820 -0.029 0.000 2.610 353 A HA 0.689 5.009 4.320 -0.000 0.000 0.286 353 A C 1.026 178.602 177.584 -0.013 0.000 1.306 353 A CA 0.974 52.996 52.037 -0.026 0.000 0.942 353 A CB -0.039 18.937 19.000 -0.040 0.000 1.112 353 A HN 0.833 nan 8.150 nan 0.000 0.527 354 M N 1.961 121.530 119.600 -0.052 0.000 3.347 354 M HA 0.324 4.804 4.480 -0.000 0.000 0.260 354 M C -1.270 175.073 176.300 0.071 0.000 1.362 354 M CA -0.186 55.035 55.300 -0.131 0.000 1.497 354 M CB -0.344 31.995 32.600 -0.435 0.000 1.080 354 M HN 0.102 nan 8.290 nan 0.000 0.592 355 I N 2.137 122.856 120.570 0.249 0.000 2.440 355 I HA 0.736 4.906 4.170 -0.000 0.000 0.294 355 I C 0.180 176.454 176.117 0.262 0.000 0.995 355 I CA -0.600 60.831 61.300 0.219 0.000 1.306 355 I CB 0.906 38.963 38.000 0.095 0.000 1.407 355 I HN 0.577 nan 8.210 nan 0.000 0.501 356 A N 6.785 129.698 122.820 0.155 0.000 2.612 356 A HA 0.866 5.186 4.320 -0.000 0.000 0.293 356 A C -0.995 176.579 177.584 -0.017 0.000 1.075 356 A CA -0.572 51.464 52.037 -0.003 0.000 0.680 356 A CB 2.063 21.006 19.000 -0.095 0.000 1.279 356 A HN 0.686 nan 8.150 nan 0.000 0.411 357 I N -1.753 118.781 120.570 -0.060 0.000 2.647 357 I HA 0.830 5.000 4.170 -0.000 0.000 0.295 357 I C -0.643 175.410 176.117 -0.106 0.000 1.078 357 I CA -0.536 60.731 61.300 -0.054 0.000 1.048 357 I CB 2.152 40.135 38.000 -0.029 0.000 1.239 357 I HN 0.760 nan 8.210 nan 0.000 0.421 358 E N 5.668 125.774 120.200 -0.157 0.000 2.183 358 E HA 0.605 4.955 4.350 -0.000 0.000 0.271 358 E C -1.646 174.657 176.600 -0.495 0.000 0.919 358 E CA -0.831 55.385 56.400 -0.308 0.000 0.781 358 E CB 1.962 31.473 29.700 -0.315 0.000 1.140 358 E HN 0.684 nan 8.360 nan 0.000 0.402 359 L N 5.057 126.008 121.223 -0.454 0.000 2.295 359 L HA 0.515 4.855 4.340 -0.000 0.000 0.285 359 L C -0.778 175.838 176.870 -0.423 0.000 1.035 359 L CA -0.651 53.992 54.840 -0.328 0.000 0.806 359 L CB 0.671 42.695 42.059 -0.058 0.000 1.214 359 L HN 0.548 nan 8.230 nan 0.000 0.426 360 F N 0.266 120.299 119.950 0.139 0.000 2.551 360 F HA 0.364 4.891 4.527 -0.000 0.000 0.316 360 F C 0.309 176.176 175.800 0.111 0.000 1.089 360 F CA -0.993 57.088 58.000 0.135 0.000 0.915 360 F CB 1.915 41.018 39.000 0.171 0.000 1.186 360 F HN 0.422 nan 8.300 nan 0.000 0.456 361 E N 1.142 121.516 120.200 0.289 0.000 2.344 361 E HA 0.082 4.432 4.350 -0.000 0.000 0.270 361 E C -0.891 175.803 176.600 0.157 0.000 1.021 361 E CA 0.058 56.565 56.400 0.177 0.000 0.887 361 E CB 0.357 30.133 29.700 0.127 0.000 0.997 361 E HN 0.572 nan 8.360 nan 0.000 0.429 362 D N 2.240 122.717 120.400 0.127 0.000 2.701 362 D HA -0.180 4.460 4.640 -0.000 0.000 0.235 362 D C 0.638 177.000 176.300 0.103 0.000 1.155 362 D CA 1.227 55.283 54.000 0.094 0.000 0.649 362 D CB -1.310 39.526 40.800 0.059 0.000 1.050 362 D HN 0.890 nan 8.370 nan 0.000 0.425 363 G N 0.598 109.502 108.800 0.173 0.000 2.416 363 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.301 363 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.301 363 G C -0.193 174.758 174.900 0.084 0.000 0.985 363 G CA 0.521 45.743 45.100 0.204 0.000 0.934 363 G HN 0.601 nan 8.290 nan 0.000 0.513 364 D N -1.705 118.734 120.400 0.064 0.000 2.392 364 D HA 0.477 5.117 4.640 -0.000 0.000 0.228 364 D C 1.457 177.572 176.300 -0.308 0.000 1.074 364 D CA -0.734 53.196 54.000 -0.117 0.000 0.838 364 D CB 0.331 41.099 40.800 -0.052 0.000 1.067 364 D HN 0.398 nan 8.370 nan 0.000 0.511 365 H N 2.299 120.919 119.070 -0.750 0.000 2.496 365 H HA -0.127 4.429 4.556 -0.000 0.000 0.296 365 H C 0.920 175.941 175.328 -0.512 0.000 1.107 365 H CA 0.557 55.861 56.048 -1.241 0.000 1.263 365 H CB 0.389 29.701 29.762 -0.750 0.000 1.369 365 H HN 0.427 nan 8.280 nan 0.000 0.541 366 N N 0.937 119.555 118.700 -0.137 0.000 2.422 366 N HA -0.029 4.711 4.740 -0.000 0.000 0.181 366 N C 0.010 175.509 175.510 -0.017 0.000 1.080 366 N CA 0.617 53.639 53.050 -0.048 0.000 0.893 366 N CB 0.370 38.826 38.487 -0.051 0.000 0.973 366 N HN 0.349 nan 8.380 nan 0.000 0.456 367 K N 1.640 122.061 120.400 0.036 0.000 2.432 367 K HA 0.334 4.654 4.320 -0.000 0.000 0.226 367 K C -2.658 174.105 176.600 0.271 0.000 1.057 367 K CA -1.628 54.724 56.287 0.107 0.000 1.034 367 K CB 1.399 33.951 32.500 0.087 0.000 1.561 367 K HN -0.083 nan 8.250 nan 0.000 0.492 368 P HA -0.085 nan 4.420 nan 0.000 0.267 368 P C -0.617 176.809 177.300 0.210 0.000 1.205 368 P CA 0.050 63.347 63.100 0.329 0.000 0.765 368 P CB 0.502 32.336 31.700 0.223 0.000 0.828 369 D N 3.093 123.593 120.400 0.166 0.000 2.557 369 D HA 0.226 4.866 4.640 -0.000 0.000 0.236 369 D C 1.119 177.468 176.300 0.081 0.000 1.154 369 D CA -0.292 53.775 54.000 0.112 0.000 0.985 369 D CB 0.219 41.078 40.800 0.099 0.000 1.010 369 D HN 0.218 nan 8.370 nan 0.000 0.516 370 A N 3.384 126.269 122.820 0.109 0.000 1.969 370 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 370 A C 2.056 179.660 177.584 0.034 0.000 1.169 370 A CA 1.075 53.175 52.037 0.106 0.000 0.635 370 A CB -0.006 19.095 19.000 0.168 0.000 0.810 370 A HN 0.391 nan 8.150 nan 0.000 0.445 371 K N -0.963 119.452 120.400 0.024 0.000 2.025 371 K HA -0.060 4.260 4.320 -0.000 0.000 0.207 371 K C 1.914 178.497 176.600 -0.028 0.000 1.049 371 K CA 1.228 57.511 56.287 -0.008 0.000 0.933 371 K CB -0.337 32.162 32.500 -0.001 0.000 0.714 371 K HN 0.380 nan 8.250 nan 0.000 0.438 372 L N 1.552 122.765 121.223 -0.018 0.000 2.017 372 L HA -0.163 4.176 4.340 -0.000 0.000 0.208 372 L C 2.000 178.807 176.870 -0.106 0.000 1.073 372 L CA 1.972 56.778 54.840 -0.056 0.000 0.745 372 L CB -0.928 41.122 42.059 -0.015 0.000 0.894 372 L HN 0.126 nan 8.230 nan 0.000 0.432 373 T N 0.142 114.658 114.554 -0.064 0.000 2.635 373 T HA -0.258 4.091 4.350 -0.000 0.000 0.267 373 T C 1.873 176.516 174.700 -0.095 0.000 1.040 373 T CA 1.756 63.811 62.100 -0.075 0.000 1.156 373 T CB -0.696 68.155 68.868 -0.028 0.000 0.863 373 T HN 0.541 nan 8.240 nan 0.000 0.430 374 A N 0.881 123.656 122.820 -0.074 0.000 1.972 374 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 374 A C 2.205 179.728 177.584 -0.101 0.000 1.169 374 A CA 1.742 53.727 52.037 -0.086 0.000 0.635 374 A CB -0.527 18.424 19.000 -0.081 0.000 0.810 374 A HN 0.615 nan 8.150 nan 0.000 0.446 375 E N -0.298 119.835 120.200 -0.112 0.000 2.072 375 E HA -0.139 4.210 4.350 -0.000 0.000 0.191 375 E C 1.766 178.264 176.600 -0.169 0.000 0.985 375 E CA 1.000 57.326 56.400 -0.124 0.000 0.801 375 E CB -0.087 29.540 29.700 -0.123 0.000 0.750 375 E HN 0.504 nan 8.360 nan 0.000 0.452 376 I N 0.899 121.323 120.570 -0.242 0.000 2.226 376 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 376 I C 2.471 178.480 176.117 -0.180 0.000 1.100 376 I CA 0.806 61.915 61.300 -0.319 0.000 1.374 376 I CB -1.098 36.615 38.000 -0.479 0.000 1.057 376 I HN 0.082 nan 8.210 nan 0.000 0.413 377 V N 1.379 121.220 119.914 -0.123 0.000 2.295 377 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 377 V C 2.826 178.909 176.094 -0.019 0.000 1.049 377 V CA 1.894 64.163 62.300 -0.051 0.000 1.024 377 V CB -1.035 30.753 31.823 -0.059 0.000 0.648 377 V HN 0.460 nan 8.190 nan 0.000 0.447 378 A N -0.238 122.552 122.820 -0.050 0.000 1.902 378 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 378 A C 2.361 179.928 177.584 -0.028 0.000 1.181 378 A CA 1.833 53.853 52.037 -0.027 0.000 0.623 378 A CB -0.479 18.493 19.000 -0.046 0.000 0.818 378 A HN 0.506 nan 8.150 nan 0.000 0.443 379 R N -0.588 119.871 120.500 -0.067 0.000 2.075 379 R HA -0.032 4.308 4.340 -0.000 0.000 0.232 379 R C 2.502 178.764 176.300 -0.063 0.000 1.126 379 R CA 1.118 57.175 56.100 -0.071 0.000 0.963 379 R CB -0.463 29.772 30.300 -0.109 0.000 0.858 379 R HN 0.508 nan 8.270 nan 0.000 0.435 380 A N 1.373 124.149 122.820 -0.074 0.000 1.908 380 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 380 A C 2.139 179.699 177.584 -0.040 0.000 1.181 380 A CA 1.298 53.291 52.037 -0.073 0.000 0.627 380 A CB -0.512 18.441 19.000 -0.078 0.000 0.818 380 A HN 0.137 nan 8.150 nan 0.000 0.445 381 R N -0.130 120.374 120.500 0.007 0.000 2.081 381 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 381 R C 1.139 177.483 176.300 0.073 0.000 1.131 381 R CA 1.884 58.015 56.100 0.053 0.000 0.960 381 R CB -0.624 29.740 30.300 0.106 0.000 0.856 381 R HN 0.467 nan 8.270 nan 0.000 0.436 382 D N 0.594 121.012 120.400 0.031 0.000 2.218 382 D HA -0.110 4.529 4.640 -0.000 0.000 0.204 382 D C 1.116 177.400 176.300 -0.028 0.000 0.976 382 D CA 1.131 55.139 54.000 0.013 0.000 0.853 382 D CB 0.032 40.830 40.800 -0.004 0.000 0.939 382 D HN 0.268 nan 8.370 nan 0.000 0.481 383 K N -0.489 119.885 120.400 -0.044 0.000 2.458 383 K HA 0.212 4.531 4.320 -0.000 0.000 0.194 383 K C 0.922 177.458 176.600 -0.108 0.000 1.024 383 K CA 0.318 56.560 56.287 -0.075 0.000 1.108 383 K CB 0.704 33.159 32.500 -0.075 0.000 0.846 383 K HN 0.093 nan 8.250 nan 0.000 0.518 384 G N 1.633 110.375 108.800 -0.097 0.000 2.136 384 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.242 384 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.242 384 G C -0.465 174.406 174.900 -0.047 0.000 0.989 384 G CA -0.167 44.841 45.100 -0.154 0.000 0.682 384 G HN 0.217 nan 8.290 nan 0.000 0.522 385 L N 1.547 122.736 121.223 -0.056 0.000 2.325 385 L HA 0.731 5.071 4.340 -0.000 0.000 0.281 385 L C -0.119 176.679 176.870 -0.120 0.000 1.004 385 L CA -1.433 53.319 54.840 -0.147 0.000 0.823 385 L CB 1.021 42.920 42.059 -0.267 0.000 1.236 385 L HN 0.053 nan 8.230 nan 0.000 0.415 386 I N 6.784 127.272 120.570 -0.137 0.000 2.312 386 I HA 0.317 4.487 4.170 -0.000 0.000 0.291 386 I C -0.088 176.003 176.117 -0.042 0.000 1.031 386 I CA -0.048 61.114 61.300 -0.231 0.000 1.293 386 I CB 0.459 38.285 38.000 -0.290 0.000 1.403 386 I HN 0.559 nan 8.210 nan 0.000 0.484 387 L N 6.625 127.876 121.223 0.047 0.000 2.301 387 L HA 0.645 4.985 4.340 -0.000 0.000 0.264 387 L C -0.548 176.419 176.870 0.160 0.000 1.016 387 L CA -0.829 54.078 54.840 0.111 0.000 0.821 387 L CB 2.855 44.950 42.059 0.059 0.000 1.346 387 L HN 0.316 nan 8.230 nan 0.000 0.429 388 L N 0.517 121.768 121.223 0.046 0.000 2.401 388 L HA 0.556 4.896 4.340 -0.000 0.000 0.266 388 L C -0.230 176.581 176.870 -0.098 0.000 0.991 388 L CA -0.340 54.485 54.840 -0.025 0.000 0.818 388 L CB 2.451 44.482 42.059 -0.046 0.000 1.321 388 L HN 0.773 nan 8.230 nan 0.000 0.413 389 S N 0.625 116.260 115.700 -0.109 0.000 2.767 389 S HA 0.877 5.347 4.470 -0.000 0.000 0.300 389 S C -0.299 174.210 174.600 -0.151 0.000 1.123 389 S CA -0.427 57.696 58.200 -0.128 0.000 0.992 389 S CB 2.141 65.298 63.200 -0.072 0.000 1.138 389 S HN 0.938 nan 8.310 nan 0.000 0.550 390 C N -2.457 116.745 119.300 -0.162 0.000 3.263 390 C HA 0.951 5.410 4.460 -0.000 0.000 0.369 390 C C 0.267 175.145 174.990 -0.187 0.000 1.634 390 C CA -0.097 58.817 59.018 -0.173 0.000 1.143 390 C CB 0.084 27.678 27.740 -0.243 0.000 1.910 390 C HN 2.661 nan 8.230 nan 0.000 0.425 391 G N 0.688 109.362 108.800 -0.210 0.000 2.692 391 G HA2 0.157 4.117 3.960 -0.000 0.000 0.686 391 G HA3 0.157 4.117 3.960 -0.000 0.000 0.686 391 G C -1.726 172.920 174.900 -0.424 0.000 1.243 391 G CA -0.003 44.966 45.100 -0.219 0.000 0.782 391 G HN 0.863 nan 8.290 nan 0.000 0.625 392 P HA -0.109 nan 4.420 nan 0.000 0.221 392 P C 0.629 177.096 177.300 -1.388 0.000 1.145 392 P CA 1.596 64.177 63.100 -0.866 0.000 0.795 392 P CB -0.016 31.200 31.700 -0.806 0.000 0.775 393 Y N -2.167 117.828 120.300 -0.509 0.000 2.720 393 Y HA 0.247 4.797 4.550 -0.000 0.000 0.277 393 Y C 0.293 176.083 175.900 -0.185 0.000 1.144 393 Y CA -0.894 56.980 58.100 -0.376 0.000 1.221 393 Y CB -0.873 37.536 38.460 -0.085 0.000 1.163 393 Y HN -0.208 nan 8.280 nan 0.000 0.537 394 Y N -0.085 120.210 120.300 -0.009 0.000 3.515 394 Y HA -0.365 4.185 4.550 -0.000 0.000 0.214 394 Y C 0.644 176.531 175.900 -0.022 0.000 1.166 394 Y CA 0.703 58.782 58.100 -0.036 0.000 1.435 394 Y CB -2.248 36.186 38.460 -0.043 0.000 1.414 394 Y HN 0.516 nan 8.280 nan 0.000 0.608 395 N N -1.109 117.637 118.700 0.075 0.000 2.338 395 N HA 0.291 5.031 4.740 -0.000 0.000 0.251 395 N C -0.774 174.696 175.510 -0.067 0.000 1.199 395 N CA 0.046 53.112 53.050 0.026 0.000 0.879 395 N CB 0.426 38.945 38.487 0.054 0.000 1.159 395 N HN 0.177 nan 8.380 nan 0.000 0.514 396 V N 1.304 121.162 119.914 -0.092 0.000 2.448 396 V HA 0.420 4.540 4.120 -0.000 0.000 0.295 396 V C -0.098 175.888 176.094 -0.180 0.000 1.025 396 V CA -0.770 61.433 62.300 -0.162 0.000 0.859 396 V CB 2.255 33.941 31.823 -0.228 0.000 0.988 396 V HN 0.152 nan 8.190 nan 0.000 0.431 397 L N 6.381 127.507 121.223 -0.161 0.000 2.272 397 L HA 0.629 4.969 4.340 -0.000 0.000 0.289 397 L C 0.390 177.118 176.870 -0.236 0.000 1.032 397 L CA -0.393 54.360 54.840 -0.145 0.000 0.810 397 L CB 1.119 43.156 42.059 -0.038 0.000 1.205 397 L HN 0.743 nan 8.230 nan 0.000 0.422 398 R N 3.847 124.143 120.500 -0.341 0.000 2.828 398 R HA 0.813 5.152 4.340 -0.000 0.000 0.264 398 R C -1.035 175.145 176.300 -0.200 0.000 1.022 398 R CA -0.879 54.907 56.100 -0.523 0.000 1.021 398 R CB 1.779 31.353 30.300 -1.210 0.000 1.163 398 R HN 0.407 nan 8.270 nan 0.000 0.494 399 I N 2.281 122.802 120.570 -0.082 0.000 2.439 399 I HA 0.216 4.386 4.170 -0.000 0.000 0.285 399 I C -0.106 176.018 176.117 0.012 0.000 1.021 399 I CA -0.585 60.714 61.300 -0.001 0.000 1.091 399 I CB 1.909 39.909 38.000 -0.000 0.000 1.242 399 I HN 0.545 nan 8.210 nan 0.000 0.439 400 L N 6.981 128.189 121.223 -0.026 0.000 3.202 400 L HA 0.291 4.631 4.340 -0.000 0.000 0.278 400 L C 0.301 177.112 176.870 -0.099 0.000 1.268 400 L CA -0.237 54.597 54.840 -0.010 0.000 1.034 400 L CB 1.089 43.177 42.059 0.048 0.000 1.407 400 L HN 0.384 nan 8.230 nan 0.000 0.581 401 V N 2.110 121.867 119.914 -0.262 0.000 2.928 401 V HA 0.071 4.191 4.120 -0.000 0.000 0.307 401 V C -1.741 174.235 176.094 -0.198 0.000 1.105 401 V CA -0.777 61.331 62.300 -0.321 0.000 1.223 401 V CB 0.937 32.236 31.823 -0.873 0.000 0.930 401 V HN 0.087 nan 8.190 nan 0.000 0.499 402 P HA 0.046 nan 4.420 nan 0.000 0.265 402 P C 0.691 177.926 177.300 -0.109 0.000 1.187 402 P CA 0.302 63.346 63.100 -0.095 0.000 0.766 402 P CB 0.313 31.977 31.700 -0.059 0.000 0.820 403 L N 1.581 122.740 121.223 -0.106 0.000 2.551 403 L HA -0.072 4.268 4.340 -0.000 0.000 0.228 403 L C 1.661 178.463 176.870 -0.113 0.000 1.153 403 L CA 1.312 56.082 54.840 -0.118 0.000 0.851 403 L CB -1.080 40.891 42.059 -0.146 0.000 0.959 403 L HN 0.470 nan 8.230 nan 0.000 0.451 404 T N -2.685 111.815 114.554 -0.091 0.000 3.219 404 T HA 0.159 4.509 4.350 -0.000 0.000 0.249 404 T C 0.660 175.338 174.700 -0.036 0.000 1.099 404 T CA -0.296 61.769 62.100 -0.059 0.000 0.988 404 T CB -0.351 68.504 68.868 -0.022 0.000 0.999 404 T HN 0.149 nan 8.240 nan 0.000 0.550 405 I N 2.102 122.647 120.570 -0.043 0.000 2.692 405 I HA 0.114 4.284 4.170 -0.000 0.000 0.284 405 I C 0.112 176.226 176.117 -0.005 0.000 1.159 405 I CA -0.343 60.947 61.300 -0.017 0.000 1.423 405 I CB 0.622 38.602 38.000 -0.035 0.000 1.380 405 I HN 0.138 nan 8.210 nan 0.000 0.580 406 E N 5.815 126.024 120.200 0.014 0.000 2.349 406 E HA 0.039 4.389 4.350 -0.000 0.000 0.262 406 E C 0.403 177.018 176.600 0.025 0.000 1.088 406 E CA -0.317 56.093 56.400 0.016 0.000 0.899 406 E CB 0.715 30.428 29.700 0.020 0.000 1.044 406 E HN 0.579 nan 8.360 nan 0.000 0.420 407 D N 1.520 121.932 120.400 0.020 0.000 2.123 407 D HA -0.170 4.470 4.640 -0.000 0.000 0.196 407 D C 1.576 177.897 176.300 0.035 0.000 0.992 407 D CA 1.556 55.571 54.000 0.025 0.000 0.833 407 D CB 0.070 40.880 40.800 0.017 0.000 0.954 407 D HN 0.502 nan 8.370 nan 0.000 0.455 408 A N 0.994 123.832 122.820 0.030 0.000 1.883 408 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 408 A C 2.156 179.766 177.584 0.042 0.000 1.186 408 A CA 1.636 53.691 52.037 0.030 0.000 0.624 408 A CB -0.568 18.446 19.000 0.023 0.000 0.822 408 A HN 0.092 nan 8.150 nan 0.000 0.444 409 Q N -0.274 119.559 119.800 0.056 0.000 2.224 409 Q HA 0.046 4.386 4.340 -0.000 0.000 0.203 409 Q C 1.838 177.932 176.000 0.156 0.000 0.970 409 Q CA 1.102 56.958 55.803 0.088 0.000 0.865 409 Q CB -0.440 28.359 28.738 0.101 0.000 0.922 409 Q HN 0.782 nan 8.270 nan 0.000 0.445 410 I N -0.268 120.383 120.570 0.135 0.000 2.252 410 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 410 I C 2.169 178.372 176.117 0.142 0.000 1.102 410 I CA 1.029 62.431 61.300 0.172 0.000 1.385 410 I CB -0.165 37.887 38.000 0.087 0.000 1.064 410 I HN 0.159 nan 8.210 nan 0.000 0.414 411 R N 0.368 120.916 120.500 0.081 0.000 2.073 411 R HA -0.226 4.114 4.340 -0.000 0.000 0.234 411 R C 2.319 178.641 176.300 0.036 0.000 1.134 411 R CA 1.635 57.766 56.100 0.052 0.000 0.952 411 R CB -0.484 29.836 30.300 0.033 0.000 0.850 411 R HN 0.447 nan 8.270 nan 0.000 0.433 412 Q N 0.174 119.989 119.800 0.024 0.000 2.077 412 Q HA -0.164 4.176 4.340 -0.000 0.000 0.206 412 Q C 2.018 177.976 176.000 -0.069 0.000 0.989 412 Q CA 2.042 57.834 55.803 -0.018 0.000 0.853 412 Q CB -0.331 28.393 28.738 -0.023 0.000 0.907 412 Q HN 0.428 nan 8.270 nan 0.000 0.418 413 G N 0.909 109.658 108.800 -0.084 0.000 2.418 413 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.217 413 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.217 413 G C 1.409 176.220 174.900 -0.148 0.000 1.158 413 G CA 0.803 45.706 45.100 -0.329 0.000 0.771 413 G HN 0.325 nan 8.290 nan 0.000 0.545 414 L N -0.105 121.134 121.223 0.026 0.000 2.046 414 L HA -0.030 4.309 4.340 -0.000 0.000 0.208 414 L C 2.935 179.815 176.870 0.018 0.000 1.077 414 L CA 0.974 55.845 54.840 0.052 0.000 0.747 414 L CB -0.275 41.830 42.059 0.075 0.000 0.896 414 L HN 0.112 nan 8.230 nan 0.000 0.432 415 E N 0.408 120.609 120.200 0.002 0.000 2.077 415 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 415 E C 2.272 178.865 176.600 -0.012 0.000 0.989 415 E CA 1.294 57.694 56.400 0.001 0.000 0.800 415 E CB -0.119 29.577 29.700 -0.006 0.000 0.746 415 E HN 0.483 nan 8.360 nan 0.000 0.452 416 I N 0.581 121.119 120.570 -0.054 0.000 2.226 416 I HA -0.283 3.886 4.170 -0.000 0.000 0.245 416 I C 2.437 178.528 176.117 -0.044 0.000 1.100 416 I CA 0.914 62.170 61.300 -0.074 0.000 1.374 416 I CB -0.252 37.662 38.000 -0.143 0.000 1.057 416 I HN 0.080 nan 8.210 nan 0.000 0.413 417 I N -0.167 120.386 120.570 -0.028 0.000 2.286 417 I HA -0.301 3.869 4.170 -0.000 0.000 0.248 417 I C 2.780 178.998 176.117 0.168 0.000 1.115 417 I CA 1.226 62.563 61.300 0.061 0.000 1.392 417 I CB -0.322 37.736 38.000 0.097 0.000 1.065 417 I HN 0.217 nan 8.210 nan 0.000 0.418 418 S N 0.414 116.176 115.700 0.104 0.000 2.359 418 S HA -0.272 4.198 4.470 -0.000 0.000 0.224 418 S C 2.016 176.689 174.600 0.120 0.000 1.035 418 S CA 1.710 59.976 58.200 0.111 0.000 1.018 418 S CB -0.151 63.090 63.200 0.068 0.000 0.876 418 S HN 0.444 nan 8.310 nan 0.000 0.448 419 Q N -0.319 119.520 119.800 0.065 0.000 2.084 419 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 419 Q C 2.588 178.600 176.000 0.020 0.000 0.978 419 Q CA 1.821 57.649 55.803 0.043 0.000 0.844 419 Q CB -0.471 28.272 28.738 0.008 0.000 0.898 419 Q HN 0.651 nan 8.270 nan 0.000 0.426 420 C N -0.129 119.159 119.300 -0.021 0.000 2.401 420 C HA -0.174 4.286 4.460 -0.000 0.000 0.276 420 C C 2.290 177.162 174.990 -0.197 0.000 1.233 420 C CA 0.682 59.622 59.018 -0.130 0.000 1.753 420 C CB -1.118 26.495 27.740 -0.213 0.000 2.029 420 C HN 0.434 nan 8.230 nan 0.000 0.478 421 F N 1.319 121.145 119.950 -0.206 0.000 2.113 421 F HA -0.106 4.421 4.527 -0.000 0.000 0.297 421 F C 2.259 177.942 175.800 -0.196 0.000 1.103 421 F CA 1.860 59.630 58.000 -0.384 0.000 1.248 421 F CB -0.683 37.750 39.000 -0.945 0.000 0.999 421 F HN 0.188 nan 8.300 nan 0.000 0.475 422 D N 0.277 120.768 120.400 0.153 0.000 2.104 422 D HA -0.183 4.457 4.640 -0.000 0.000 0.194 422 D C 1.949 178.327 176.300 0.129 0.000 0.994 422 D CA 1.498 55.651 54.000 0.254 0.000 0.830 422 D CB -0.523 40.391 40.800 0.190 0.000 0.959 422 D HN 0.402 nan 8.370 nan 0.000 0.452 423 E N 0.009 120.242 120.200 0.055 0.000 2.347 423 E HA 0.035 4.385 4.350 -0.000 0.000 0.196 423 E C 1.758 178.356 176.600 -0.002 0.000 1.008 423 E CA 0.475 56.886 56.400 0.019 0.000 0.852 423 E CB 0.130 29.826 29.700 -0.006 0.000 0.783 423 E HN 0.186 nan 8.360 nan 0.000 0.505 424 A N 1.783 124.590 122.820 -0.021 0.000 2.132 424 A HA -0.099 4.221 4.320 -0.000 0.000 0.213 424 A C 1.944 179.537 177.584 0.015 0.000 1.154 424 A CA 0.627 52.638 52.037 -0.044 0.000 0.753 424 A CB -0.136 18.782 19.000 -0.136 0.000 0.826 424 A HN 0.149 nan 8.150 nan 0.000 0.469 425 K N -0.394 120.049 120.400 0.072 0.000 2.379 425 K HA 0.168 4.488 4.320 -0.000 0.000 0.194 425 K C 0.698 177.338 176.600 0.066 0.000 1.031 425 K CA -0.158 56.187 56.287 0.097 0.000 1.037 425 K CB 0.007 32.612 32.500 0.175 0.000 0.824 425 K HN 0.484 nan 8.250 nan 0.000 0.516 426 Q N 0.000 119.831 119.800 0.052 0.000 2.315 426 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 426 Q CA 0.000 55.825 55.803 0.036 0.000 1.022 426 Q CB 0.000 28.755 28.738 0.028 0.000 1.108 426 Q HN 0.000 nan 8.270 nan 0.000 0.481