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 1szu_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 HGIMLIADEA 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 0.000 175.496 175.510 -0.024 0.000 1.280 2 N CA 0.000 53.032 53.050 -0.030 0.000 0.885 2 N CB 0.000 38.457 38.487 -0.049 0.000 1.341 3 S N 0.237 115.906 115.700 -0.052 0.000 2.571 3 S HA 0.461 4.931 4.470 -0.000 0.000 0.284 3 S C 0.359 174.923 174.600 -0.061 0.000 1.128 3 S CA -0.492 57.688 58.200 -0.034 0.000 0.970 3 S CB 0.869 64.050 63.200 -0.032 0.000 1.039 3 S HN 0.467 nan 8.310 nan 0.000 0.485 4 N N 3.721 122.426 118.700 0.009 0.000 2.104 4 N HA -0.084 4.656 4.740 -0.000 0.000 0.190 4 N C 1.331 176.856 175.510 0.024 0.000 1.024 4 N CA 1.441 54.528 53.050 0.062 0.000 0.853 4 N CB -0.193 38.377 38.487 0.138 0.000 1.008 4 N HN 0.671 nan 8.380 nan 0.000 0.424 5 K N 0.918 121.328 120.400 0.016 0.000 2.097 5 K HA -0.104 4.216 4.320 -0.000 0.000 0.205 5 K C 1.931 178.510 176.600 -0.035 0.000 1.050 5 K CA 0.787 57.080 56.287 0.009 0.000 0.938 5 K CB -0.048 32.458 32.500 0.011 0.000 0.718 5 K HN 0.310 nan 8.250 nan 0.000 0.442 6 E N 1.210 121.368 120.200 -0.070 0.000 2.077 6 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 6 E C 1.975 178.475 176.600 -0.166 0.000 0.989 6 E CA 0.898 57.241 56.400 -0.096 0.000 0.800 6 E CB 0.034 29.677 29.700 -0.095 0.000 0.746 6 E HN 0.225 nan 8.360 nan 0.000 0.452 7 L N 0.233 121.265 121.223 -0.318 0.000 2.083 7 L HA -0.195 4.144 4.340 -0.000 0.000 0.209 7 L C 2.741 179.408 176.870 -0.338 0.000 1.083 7 L CA 0.674 55.129 54.840 -0.643 0.000 0.752 7 L CB -0.367 40.732 42.059 -1.599 0.000 0.899 7 L HN 0.281 nan 8.230 nan 0.000 0.433 8 M N -0.513 119.057 119.600 -0.050 0.000 2.159 8 M HA -0.233 4.247 4.480 -0.000 0.000 0.263 8 M C 2.309 178.647 176.300 0.063 0.000 1.063 8 M CA 1.677 57.071 55.300 0.157 0.000 1.110 8 M CB -0.933 31.754 32.600 0.146 0.000 1.374 8 M HN 0.252 nan 8.290 nan 0.000 0.411 9 Q N 0.604 120.405 119.800 0.002 0.000 2.079 9 Q HA -0.104 4.236 4.340 -0.000 0.000 0.200 9 Q C 1.975 177.972 176.000 -0.004 0.000 0.974 9 Q CA 1.786 57.588 55.803 -0.003 0.000 0.840 9 Q CB -0.117 28.610 28.738 -0.019 0.000 0.898 9 Q HN 0.432 nan 8.270 nan 0.000 0.430 10 R N -0.385 120.098 120.500 -0.029 0.000 2.092 10 R HA -0.045 4.295 4.340 -0.000 0.000 0.231 10 R C 2.485 178.798 176.300 0.022 0.000 1.119 10 R CA 1.282 57.370 56.100 -0.020 0.000 0.970 10 R CB -0.359 29.906 30.300 -0.058 0.000 0.864 10 R HN 0.236 nan 8.270 nan 0.000 0.440 11 R N 1.066 121.603 120.500 0.062 0.000 2.083 11 R HA -0.150 4.190 4.340 -0.000 0.000 0.237 11 R C 2.186 178.529 176.300 0.072 0.000 1.137 11 R CA 2.213 58.386 56.100 0.121 0.000 0.951 11 R CB -0.279 30.162 30.300 0.235 0.000 0.851 11 R HN 0.281 nan 8.270 nan 0.000 0.434 12 S N -0.130 115.603 115.700 0.055 0.000 2.469 12 S HA -0.099 4.370 4.470 -0.000 0.000 0.238 12 S C 1.650 176.265 174.600 0.024 0.000 0.998 12 S CA 0.730 58.951 58.200 0.035 0.000 0.957 12 S CB 0.075 63.290 63.200 0.026 0.000 0.764 12 S HN 0.366 nan 8.310 nan 0.000 0.514 13 Q N 0.515 120.328 119.800 0.023 0.000 2.339 13 Q HA 0.394 4.733 4.340 -0.000 0.000 0.205 13 Q C 2.075 178.086 176.000 0.019 0.000 0.925 13 Q CA 1.226 57.038 55.803 0.016 0.000 0.898 13 Q CB -0.259 28.484 28.738 0.009 0.000 1.013 13 Q HN 0.721 nan 8.270 nan 0.000 0.504 14 A N -0.355 122.481 122.820 0.026 0.000 2.288 14 A HA 0.308 4.628 4.320 -0.000 0.000 0.216 14 A C 0.803 178.407 177.584 0.032 0.000 1.199 14 A CA -0.036 52.017 52.037 0.028 0.000 0.891 14 A CB 0.583 19.602 19.000 0.030 0.000 0.923 14 A HN 0.160 nan 8.150 nan 0.000 0.500 15 I N 1.805 122.397 120.570 0.037 0.000 2.465 15 I HA 0.316 4.486 4.170 -0.000 0.000 0.291 15 I C -2.393 173.741 176.117 0.027 0.000 1.014 15 I CA -2.421 58.900 61.300 0.035 0.000 1.093 15 I CB 2.244 40.272 38.000 0.046 0.000 1.267 15 I HN 0.036 nan 8.210 nan 0.000 0.431 16 P HA 0.073 nan 4.420 nan 0.000 0.269 16 P C 0.163 177.470 177.300 0.013 0.000 1.209 16 P CA -0.317 62.793 63.100 0.017 0.000 0.776 16 P CB 0.612 32.323 31.700 0.017 0.000 0.876 17 R N 1.390 121.895 120.500 0.008 0.000 2.241 17 R HA -0.057 4.283 4.340 -0.000 0.000 0.224 17 R C 2.037 178.336 176.300 -0.002 0.000 1.101 17 R CA 1.383 57.484 56.100 0.001 0.000 0.995 17 R CB -1.501 28.796 30.300 -0.004 0.000 0.870 17 R HN 0.511 nan 8.270 nan 0.000 0.463 18 G N 1.484 110.287 108.800 0.005 0.000 2.442 18 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.219 18 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.219 18 G C 0.544 175.451 174.900 0.012 0.000 1.141 18 G CA 0.596 45.701 45.100 0.009 0.000 0.763 18 G HN 0.185 nan 8.290 nan 0.000 0.554 19 V N 2.164 122.084 119.914 0.009 0.000 2.370 19 V HA 0.467 4.586 4.120 -0.000 0.000 0.257 19 V C 1.318 177.406 176.094 -0.011 0.000 1.064 19 V CA -0.515 61.788 62.300 0.005 0.000 0.975 19 V CB 0.079 31.904 31.823 0.004 0.000 1.067 19 V HN 0.293 nan 8.190 nan 0.000 0.485 20 G N 3.712 112.502 108.800 -0.017 0.000 2.667 20 G HA2 0.365 4.325 3.960 -0.000 0.000 0.250 20 G HA3 0.365 4.325 3.960 -0.000 0.000 0.250 20 G C -0.294 174.574 174.900 -0.054 0.000 1.212 20 G CA -0.119 44.958 45.100 -0.038 0.000 0.874 20 G HN 0.641 nan 8.290 nan 0.000 0.561 21 Q N -0.204 119.553 119.800 -0.072 0.000 2.444 21 Q HA 0.275 4.615 4.340 -0.000 0.000 0.251 21 Q C 0.939 176.863 176.000 -0.126 0.000 0.939 21 Q CA -0.640 55.108 55.803 -0.091 0.000 0.740 21 Q CB 0.890 29.586 28.738 -0.071 0.000 1.308 21 Q HN 0.297 nan 8.270 nan 0.000 0.461 22 I N 1.562 122.032 120.570 -0.167 0.000 2.142 22 I HA -0.148 4.022 4.170 -0.000 0.000 0.240 22 I C 0.439 176.291 176.117 -0.442 0.000 1.078 22 I CA 1.297 62.411 61.300 -0.309 0.000 1.343 22 I CB -0.607 37.177 38.000 -0.360 0.000 1.046 22 I HN 0.577 nan 8.210 nan 0.000 0.405 23 H N 2.290 121.297 119.070 -0.106 0.000 2.539 23 H HA 0.250 4.805 4.556 -0.000 0.000 0.332 23 H C -1.881 173.381 175.328 -0.109 0.000 1.031 23 H CA -1.996 53.986 56.048 -0.109 0.000 1.206 23 H CB 1.482 31.155 29.762 -0.149 0.000 1.446 23 H HN 0.048 nan 8.280 nan 0.000 0.496 24 P HA 0.164 nan 4.420 nan 0.000 0.228 24 P C -0.224 177.130 177.300 0.090 0.000 1.748 24 P CA 0.318 63.448 63.100 0.051 0.000 0.909 24 P CB -0.366 31.366 31.700 0.053 0.000 1.882 25 I N 0.302 120.882 120.570 0.018 0.000 2.545 25 I HA 0.360 4.530 4.170 -0.000 0.000 0.292 25 I C -0.281 175.813 176.117 -0.038 0.000 1.040 25 I CA -1.115 60.191 61.300 0.010 0.000 1.068 25 I CB 1.808 39.691 38.000 -0.194 0.000 1.251 25 I HN -0.182 nan 8.210 nan 0.000 0.424 26 F N 4.311 124.227 119.950 -0.057 0.000 2.388 26 F HA 0.567 5.094 4.527 -0.000 0.000 0.358 26 F C 0.725 176.499 175.800 -0.042 0.000 1.122 26 F CA -0.502 57.474 58.000 -0.040 0.000 1.056 26 F CB 1.505 40.498 39.000 -0.013 0.000 1.155 26 F HN 0.429 nan 8.300 nan 0.000 0.461 27 A N 2.686 125.521 122.820 0.025 0.000 2.407 27 A HA 0.288 4.608 4.320 -0.000 0.000 0.248 27 A C 0.586 178.223 177.584 0.089 0.000 1.082 27 A CA 0.011 52.058 52.037 0.016 0.000 0.785 27 A CB 0.421 19.381 19.000 -0.067 0.000 1.020 27 A HN 0.829 nan 8.150 nan 0.000 0.489 28 D N 0.118 120.584 120.400 0.110 0.000 2.766 28 D HA 0.155 4.795 4.640 -0.000 0.000 0.284 28 D C 0.555 176.917 176.300 0.103 0.000 1.050 28 D CA 0.678 54.745 54.000 0.111 0.000 0.945 28 D CB 0.384 41.256 40.800 0.121 0.000 1.272 28 D HN 0.560 nan 8.370 nan 0.000 0.482 29 R N -0.437 120.164 120.500 0.168 0.000 2.808 29 R HA 0.846 5.186 4.340 -0.000 0.000 0.272 29 R C -1.437 175.025 176.300 0.269 0.000 0.995 29 R CA -0.983 55.235 56.100 0.197 0.000 0.917 29 R CB 2.466 32.877 30.300 0.185 0.000 1.217 29 R HN 0.075 nan 8.270 nan 0.000 0.471 30 A N 1.016 123.937 122.820 0.169 0.000 2.606 30 A HA 0.611 4.931 4.320 -0.000 0.000 0.293 30 A C -1.681 175.987 177.584 0.141 0.000 1.082 30 A CA -0.575 51.437 52.037 -0.042 0.000 0.685 30 A CB 2.322 20.866 19.000 -0.761 0.000 1.284 30 A HN 0.737 nan 8.150 nan 0.000 0.408 31 E N 1.345 121.635 120.200 0.150 0.000 2.349 31 E HA 0.394 4.744 4.350 -0.000 0.000 0.290 31 E C 0.218 176.918 176.600 0.167 0.000 0.901 31 E CA 0.079 56.610 56.400 0.217 0.000 0.800 31 E CB 0.907 30.785 29.700 0.296 0.000 1.303 31 E HN 1.033 nan 8.360 nan 0.000 0.397 32 N N 1.997 120.804 118.700 0.179 0.000 1.911 32 N HA -0.344 4.396 4.740 -0.000 0.000 0.160 32 N C 0.208 175.813 175.510 0.158 0.000 0.585 32 N CA 2.245 55.370 53.050 0.126 0.000 1.293 32 N CB -1.159 37.367 38.487 0.065 0.000 1.355 32 N HN 0.559 nan 8.380 nan 0.000 0.425 33 C N 1.890 121.247 119.300 0.094 0.000 2.855 33 C HA 0.360 4.820 4.460 -0.000 0.000 0.279 33 C C 0.412 175.409 174.990 0.012 0.000 1.270 33 C CA -0.327 58.746 59.018 0.091 0.000 1.702 33 C CB -1.348 26.439 27.740 0.079 0.000 1.949 33 C HN 0.246 nan 8.230 nan 0.000 0.618 34 R N 0.206 120.639 120.500 -0.112 0.000 2.664 34 R HA 0.749 5.089 4.340 -0.000 0.000 0.286 34 R C -1.235 174.668 176.300 -0.662 0.000 0.967 34 R CA -0.259 55.578 56.100 -0.439 0.000 0.933 34 R CB 1.861 31.784 30.300 -0.628 0.000 1.146 34 R HN -0.009 nan 8.270 nan 0.000 0.468 35 V N 1.668 121.128 119.914 -0.757 0.000 2.841 35 V HA 0.474 4.593 4.120 -0.000 0.000 0.310 35 V C -0.952 174.790 176.094 -0.586 0.000 1.090 35 V CA -0.928 61.033 62.300 -0.565 0.000 0.930 35 V CB 2.391 34.012 31.823 -0.337 0.000 1.014 35 V HN 0.653 nan 8.190 nan 0.000 0.425 36 W N 2.548 123.871 121.300 0.039 0.000 2.600 36 W HA 0.444 5.104 4.660 -0.000 0.000 0.325 36 W C -0.436 176.136 176.519 0.088 0.000 1.034 36 W CA -0.753 56.652 57.345 0.100 0.000 1.226 36 W CB 2.266 31.749 29.460 0.037 0.000 1.379 36 W HN 0.832 nan 8.180 nan 0.000 0.466 37 D N -0.761 119.836 120.400 0.328 0.000 2.478 37 D HA 0.174 4.814 4.640 -0.000 0.000 0.269 37 D C 1.212 177.633 176.300 0.201 0.000 1.232 37 D CA -0.502 53.625 54.000 0.212 0.000 1.059 37 D CB 0.187 41.103 40.800 0.193 0.000 1.104 37 D HN 0.102 nan 8.370 nan 0.000 0.566 38 V N -3.078 116.931 119.914 0.158 0.000 3.078 38 V HA -0.091 4.029 4.120 -0.000 0.000 0.265 38 V C 1.273 177.422 176.094 0.092 0.000 1.122 38 V CA 1.356 63.722 62.300 0.110 0.000 1.141 38 V CB -1.184 30.683 31.823 0.073 0.000 0.735 38 V HN 0.528 nan 8.190 nan 0.000 0.498 39 E N 0.674 120.944 120.200 0.117 0.000 2.479 39 E HA 0.348 4.698 4.350 -0.000 0.000 0.193 39 E C 1.706 178.367 176.600 0.102 0.000 1.049 39 E CA 0.433 56.888 56.400 0.092 0.000 0.870 39 E CB 0.253 30.009 29.700 0.092 0.000 0.944 39 E HN 0.797 nan 8.360 nan 0.000 0.492 40 G N 2.369 111.255 108.800 0.144 0.000 2.179 40 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.260 40 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.260 40 G C 0.368 175.403 174.900 0.226 0.000 0.977 40 G CA 0.273 45.468 45.100 0.159 0.000 0.641 40 G HN 0.274 nan 8.290 nan 0.000 0.533 41 R N 1.046 121.666 120.500 0.199 0.000 2.490 41 R HA 0.464 4.804 4.340 -0.000 0.000 0.280 41 R C 0.136 176.463 176.300 0.045 0.000 1.077 41 R CA -0.200 55.945 56.100 0.075 0.000 1.065 41 R CB 0.393 30.667 30.300 -0.043 0.000 1.003 41 R HN 0.419 nan 8.270 nan 0.000 0.470 42 E N 3.083 123.188 120.200 -0.159 0.000 2.216 42 E HA 0.180 4.530 4.350 -0.000 0.000 0.279 42 E C -1.536 174.711 176.600 -0.587 0.000 0.997 42 E CA -0.541 55.640 56.400 -0.366 0.000 0.817 42 E CB 0.687 30.292 29.700 -0.158 0.000 1.096 42 E HN 0.435 nan 8.360 nan 0.000 0.393 43 Y N 2.348 122.390 120.300 -0.430 0.000 2.499 43 Y HA 0.352 4.902 4.550 -0.000 0.000 0.347 43 Y C -0.564 175.145 175.900 -0.318 0.000 0.987 43 Y CA -1.117 56.795 58.100 -0.314 0.000 1.044 43 Y CB 1.341 39.636 38.460 -0.274 0.000 1.245 43 Y HN 0.432 nan 8.280 nan 0.000 0.461 44 L N 3.283 124.450 121.223 -0.093 0.000 2.257 44 L HA 0.378 4.718 4.340 -0.000 0.000 0.290 44 L C -0.525 176.349 176.870 0.006 0.000 1.044 44 L CA -0.366 54.430 54.840 -0.074 0.000 0.810 44 L CB 0.419 42.399 42.059 -0.133 0.000 1.193 44 L HN 0.583 nan 8.230 nan 0.000 0.425 45 D N 4.184 124.641 120.400 0.095 0.000 2.393 45 D HA 0.086 4.726 4.640 -0.000 0.000 0.232 45 D C -0.017 176.489 176.300 0.344 0.000 1.192 45 D CA 0.061 54.151 54.000 0.151 0.000 0.882 45 D CB 0.225 41.106 40.800 0.135 0.000 1.038 45 D HN 0.378 nan 8.370 nan 0.000 0.499 46 F N 2.103 122.036 119.950 -0.027 0.000 2.639 46 F HA 0.331 4.858 4.527 -0.000 0.000 0.300 46 F C 1.559 177.352 175.800 -0.012 0.000 1.109 46 F CA -0.398 57.593 58.000 -0.015 0.000 1.335 46 F CB 0.166 39.158 39.000 -0.014 0.000 1.014 46 F HN 0.503 nan 8.300 nan 0.000 0.537 47 A N -0.907 121.990 122.820 0.129 0.000 2.127 47 A HA 0.470 4.789 4.320 -0.000 0.000 0.204 47 A C 1.911 179.509 177.584 0.023 0.000 1.243 47 A CA 0.580 52.655 52.037 0.064 0.000 0.887 47 A CB -0.646 18.390 19.000 0.060 0.000 0.933 47 A HN 0.393 nan 8.150 nan 0.000 0.479 48 G N -0.490 108.317 108.800 0.010 0.000 2.305 48 G HA2 0.132 4.092 3.960 -0.000 0.000 0.287 48 G HA3 0.132 4.092 3.960 -0.000 0.000 0.287 48 G C 1.468 176.323 174.900 -0.075 0.000 1.036 48 G CA 0.865 45.930 45.100 -0.059 0.000 0.887 48 G HN 2.048 nan 8.290 nan 0.000 0.505 49 G N -0.550 108.227 108.800 -0.038 0.000 2.225 49 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.267 49 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.267 49 G C 0.740 175.625 174.900 -0.025 0.000 1.024 49 G CA 0.414 45.493 45.100 -0.035 0.000 0.784 49 G HN 2.175 nan 8.290 nan 0.000 0.507 50 I N -3.677 116.886 120.570 -0.012 0.000 6.382 50 I HA -0.143 4.027 4.170 -0.000 0.000 0.126 50 I C 1.334 177.458 176.117 0.011 0.000 1.824 50 I CA 0.378 61.677 61.300 -0.002 0.000 2.038 50 I CB -1.976 36.014 38.000 -0.016 0.000 3.480 50 I HN 2.152 nan 8.210 nan 0.000 0.169 51 A N 1.347 124.176 122.820 0.016 0.000 2.887 51 A HA -0.200 4.120 4.320 -0.000 0.000 0.257 51 A C 0.945 178.532 177.584 0.006 0.000 1.372 51 A CA 1.254 53.302 52.037 0.019 0.000 0.879 51 A CB -1.785 17.241 19.000 0.042 0.000 1.082 51 A HN 0.895 nan 8.150 nan 0.000 0.703 52 V N -1.069 118.836 119.914 -0.016 0.000 3.644 52 V HA 0.192 4.312 4.120 -0.000 0.000 0.267 52 V C 1.105 177.178 176.094 -0.035 0.000 1.277 52 V CA 1.491 63.782 62.300 -0.015 0.000 1.096 52 V CB 0.196 32.002 31.823 -0.029 0.000 0.828 52 V HN 0.570 nan 8.190 nan 0.000 0.446 53 L N 0.277 121.455 121.223 -0.075 0.000 3.030 53 L HA 0.368 4.708 4.340 -0.000 0.000 0.252 53 L C 1.148 177.982 176.870 -0.060 0.000 1.316 53 L CA 0.059 54.833 54.840 -0.110 0.000 0.975 53 L CB -0.400 41.481 42.059 -0.297 0.000 1.357 53 L HN 0.208 nan 8.230 nan 0.000 0.534 54 N N 0.178 118.878 118.700 -0.000 0.000 2.364 54 N HA -0.139 4.601 4.740 -0.000 0.000 0.183 54 N C 1.284 176.758 175.510 -0.061 0.000 1.022 54 N CA 1.633 54.688 53.050 0.008 0.000 0.883 54 N CB 0.219 38.790 38.487 0.141 0.000 0.965 54 N HN 0.474 nan 8.380 nan 0.000 0.438 55 T N -2.093 112.444 114.554 -0.028 0.000 3.145 55 T HA 0.421 4.771 4.350 -0.000 0.000 0.255 55 T C 0.788 175.529 174.700 0.068 0.000 1.039 55 T CA -0.141 61.940 62.100 -0.031 0.000 0.928 55 T CB 0.435 69.282 68.868 -0.036 0.000 1.029 55 T HN 0.278 nan 8.240 nan 0.000 0.554 56 G N 1.399 110.201 108.800 0.003 0.000 2.814 56 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.677 56 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.677 56 G C -0.755 174.155 174.900 0.016 0.000 1.429 56 G CA -0.953 44.150 45.100 0.006 0.000 0.868 56 G HN 0.593 nan 8.290 nan 0.000 0.553 57 H N 0.492 119.589 119.070 0.046 0.000 3.004 57 H HA 0.194 4.750 4.556 -0.000 0.000 0.316 57 H C 1.565 176.944 175.328 0.085 0.000 1.014 57 H CA 1.003 57.081 56.048 0.050 0.000 1.454 57 H CB 0.286 30.070 29.762 0.037 0.000 1.472 57 H HN 0.712 nan 8.280 nan 0.000 0.571 58 L N 3.164 124.520 121.223 0.222 0.000 3.879 58 L HA -0.260 4.080 4.340 -0.000 0.000 0.481 58 L C 0.791 177.781 176.870 0.200 0.000 1.232 58 L CA 0.332 55.305 54.840 0.222 0.000 0.736 58 L CB -1.456 40.715 42.059 0.187 0.000 1.511 58 L HN 0.689 nan 8.230 nan 0.000 0.830 59 H N 3.864 123.007 119.070 0.123 0.000 3.107 59 H HA 0.017 4.572 4.556 -0.000 0.000 0.301 59 H C -1.155 174.219 175.328 0.078 0.000 0.981 59 H CA -0.772 55.324 56.048 0.080 0.000 1.443 59 H CB 1.210 31.004 29.762 0.053 0.000 1.479 59 H HN 0.175 nan 8.280 nan 0.000 0.564 60 P HA -0.236 nan 4.420 nan 0.000 0.216 60 P C 1.240 178.650 177.300 0.183 0.000 1.154 60 P CA 1.390 64.534 63.100 0.073 0.000 0.865 60 P CB 0.441 32.122 31.700 -0.032 0.000 0.789 61 K N -0.310 120.315 120.400 0.375 0.000 2.057 61 K HA -0.042 4.278 4.320 -0.000 0.000 0.207 61 K C 2.254 178.931 176.600 0.129 0.000 1.049 61 K CA 0.861 57.281 56.287 0.221 0.000 0.931 61 K CB -1.253 31.354 32.500 0.179 0.000 0.714 61 K HN 0.119 nan 8.250 nan 0.000 0.440 62 V N 1.244 121.254 119.914 0.161 0.000 2.343 62 V HA -0.186 3.934 4.120 -0.000 0.000 0.247 62 V C 2.524 178.643 176.094 0.043 0.000 1.051 62 V CA 1.297 63.636 62.300 0.065 0.000 1.036 62 V CB -0.405 31.491 31.823 0.122 0.000 0.654 62 V HN -0.031 nan 8.190 nan 0.000 0.451 63 V N 0.315 120.303 119.914 0.123 0.000 2.343 63 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 63 V C 2.710 178.833 176.094 0.049 0.000 1.051 63 V CA 1.977 64.341 62.300 0.107 0.000 1.036 63 V CB -1.074 30.831 31.823 0.138 0.000 0.654 63 V HN 0.558 nan 8.190 nan 0.000 0.451 64 A N -0.018 122.833 122.820 0.051 0.000 1.902 64 A HA -0.129 4.190 4.320 -0.000 0.000 0.217 64 A C 2.427 180.014 177.584 0.005 0.000 1.181 64 A CA 2.118 54.174 52.037 0.031 0.000 0.623 64 A CB -0.765 18.259 19.000 0.039 0.000 0.818 64 A HN 0.568 nan 8.150 nan 0.000 0.443 65 A N -0.613 122.200 122.820 -0.011 0.000 1.902 65 A HA 0.002 4.322 4.320 -0.000 0.000 0.217 65 A C 2.236 179.780 177.584 -0.068 0.000 1.181 65 A CA 1.765 53.780 52.037 -0.037 0.000 0.623 65 A CB -0.958 18.012 19.000 -0.051 0.000 0.818 65 A HN 0.385 nan 8.150 nan 0.000 0.443 66 V N 0.118 119.963 119.914 -0.115 0.000 2.295 66 V HA -0.291 3.829 4.120 -0.000 0.000 0.246 66 V C 2.425 178.481 176.094 -0.062 0.000 1.049 66 V CA 2.399 64.603 62.300 -0.159 0.000 1.024 66 V CB -0.858 30.800 31.823 -0.274 0.000 0.648 66 V HN 0.653 nan 8.190 nan 0.000 0.447 67 E N 0.067 120.255 120.200 -0.020 0.000 2.110 67 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 67 E C 2.304 178.904 176.600 -0.001 0.000 0.988 67 E CA 1.280 57.683 56.400 0.005 0.000 0.804 67 E CB -0.339 29.373 29.700 0.020 0.000 0.745 67 E HN 0.615 nan 8.360 nan 0.000 0.458 68 A N 1.007 123.823 122.820 -0.006 0.000 1.902 68 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 68 A C 2.145 179.725 177.584 -0.007 0.000 1.181 68 A CA 1.644 53.680 52.037 -0.003 0.000 0.623 68 A CB -0.409 18.590 19.000 -0.002 0.000 0.818 68 A HN 0.126 nan 8.150 nan 0.000 0.443 69 Q N -0.801 118.987 119.800 -0.020 0.000 2.172 69 Q HA -0.051 4.288 4.340 -0.000 0.000 0.200 69 Q C 1.711 177.699 176.000 -0.020 0.000 0.964 69 Q CA 1.212 57.001 55.803 -0.024 0.000 0.855 69 Q CB -0.479 28.233 28.738 -0.043 0.000 0.918 69 Q HN 0.453 nan 8.270 nan 0.000 0.444 70 L N 0.349 121.563 121.223 -0.014 0.000 2.265 70 L HA -0.094 4.246 4.340 -0.000 0.000 0.215 70 L C 1.475 178.348 176.870 0.005 0.000 1.117 70 L CA 1.754 56.593 54.840 -0.001 0.000 0.782 70 L CB -0.192 41.873 42.059 0.010 0.000 0.914 70 L HN 0.124 nan 8.230 nan 0.000 0.441 71 K N -1.265 119.138 120.400 0.004 0.000 2.365 71 K HA -0.055 4.265 4.320 -0.000 0.000 0.197 71 K C 1.770 178.373 176.600 0.006 0.000 1.042 71 K CA 0.655 56.946 56.287 0.007 0.000 0.987 71 K CB 0.220 32.724 32.500 0.008 0.000 0.779 71 K HN 0.347 nan 8.250 nan 0.000 0.484 72 K N 0.154 120.554 120.400 0.001 0.000 2.102 72 K HA 0.102 4.422 4.320 -0.000 0.000 0.206 72 K C 0.094 176.691 176.600 -0.005 0.000 1.031 72 K CA 0.569 56.856 56.287 0.000 0.000 0.962 72 K CB 0.198 32.698 32.500 0.000 0.000 0.811 72 K HN -0.039 nan 8.250 nan 0.000 0.453 73 L N -3.409 117.803 121.223 -0.019 0.000 2.789 73 L HA 0.262 4.601 4.340 -0.000 0.000 0.258 73 L C -0.035 176.809 176.870 -0.043 0.000 0.966 73 L CA -0.617 54.209 54.840 -0.025 0.000 0.916 73 L CB 1.557 43.592 42.059 -0.040 0.000 1.475 73 L HN 0.023 nan 8.230 nan 0.000 0.418 74 S N -1.130 114.566 115.700 -0.006 0.000 2.520 74 S HA 0.434 4.903 4.470 -0.000 0.000 0.219 74 S C 0.155 174.796 174.600 0.068 0.000 1.028 74 S CA 0.850 59.057 58.200 0.012 0.000 0.921 74 S CB -0.433 62.794 63.200 0.043 0.000 0.844 74 S HN 1.250 nan 8.310 nan 0.000 0.495 75 H N -0.347 118.689 119.070 -0.056 0.000 3.121 75 H HA 0.447 5.003 4.556 -0.000 0.000 0.337 75 H C -0.022 175.320 175.328 0.023 0.000 1.198 75 H CA 0.312 56.357 56.048 -0.006 0.000 1.274 75 H CB 1.288 31.109 29.762 0.098 0.000 1.954 75 H HN 0.067 nan 8.280 nan 0.000 0.531 76 T N 0.508 114.712 114.554 -0.583 0.000 3.073 76 T HA 0.124 4.474 4.350 -0.000 0.000 0.264 76 T C 0.231 174.715 174.700 -0.360 0.000 0.893 76 T CA 0.429 62.359 62.100 -0.283 0.000 0.863 76 T CB -0.567 68.285 68.868 -0.027 0.000 1.247 76 T HN 1.195 nan 8.240 nan 0.000 0.546 77 C N 1.816 120.803 119.300 -0.522 0.000 2.485 77 C HA -0.168 4.292 4.460 -0.000 0.000 0.285 77 C C 1.077 176.129 174.990 0.103 0.000 0.796 77 C CA -0.495 58.469 59.018 -0.090 0.000 2.852 77 C CB -2.779 24.966 27.740 0.009 0.000 1.629 77 C HN 0.641 nan 8.230 nan 0.000 0.379 78 F N 2.823 122.797 119.950 0.039 0.000 2.085 78 F HA -0.272 4.255 4.527 -0.000 0.000 0.299 78 F C 2.132 177.786 175.800 -0.243 0.000 1.096 78 F CA 2.765 60.592 58.000 -0.288 0.000 1.227 78 F CB -0.117 38.474 39.000 -0.682 0.000 0.983 78 F HN 0.852 nan 8.300 nan 0.000 0.482 79 Q N -0.837 118.963 119.800 0.001 0.000 2.308 79 Q HA -0.182 4.158 4.340 -0.000 0.000 0.209 79 Q C 2.070 177.997 176.000 -0.121 0.000 0.985 79 Q CA 1.707 57.476 55.803 -0.056 0.000 0.881 79 Q CB -0.320 28.431 28.738 0.021 0.000 0.917 79 Q HN 0.411 nan 8.270 nan 0.000 0.443 80 V N -0.292 119.556 119.914 -0.111 0.000 2.403 80 V HA 0.051 4.171 4.120 -0.000 0.000 0.239 80 V C 0.770 176.774 176.094 -0.150 0.000 1.041 80 V CA 0.804 63.047 62.300 -0.096 0.000 1.051 80 V CB 0.166 31.965 31.823 -0.040 0.000 0.704 80 V HN 0.187 nan 8.190 nan 0.000 0.472 81 L N 0.372 121.495 121.223 -0.167 0.000 2.406 81 L HA 0.723 5.063 4.340 -0.000 0.000 0.272 81 L C -0.068 176.601 176.870 -0.334 0.000 0.980 81 L CA -0.525 54.203 54.840 -0.188 0.000 0.831 81 L CB 1.629 43.650 42.059 -0.063 0.000 1.253 81 L HN 0.237 nan 8.230 nan 0.000 0.406 82 A N 3.295 125.753 122.820 -0.603 0.000 2.292 82 A HA 0.680 4.999 4.320 -0.000 0.000 0.265 82 A C -1.047 176.347 177.584 -0.317 0.000 1.133 82 A CA 0.193 51.582 52.037 -1.080 0.000 0.807 82 A CB 0.397 18.728 19.000 -1.115 0.000 1.102 82 A HN 0.672 nan 8.150 nan 0.000 0.502 83 Y N -3.802 116.500 120.300 0.003 0.000 2.558 83 Y HA 0.481 5.030 4.550 -0.000 0.000 0.333 83 Y C 0.330 176.367 175.900 0.228 0.000 1.125 83 Y CA -0.871 57.298 58.100 0.116 0.000 1.039 83 Y CB 0.533 39.072 38.460 0.131 0.000 1.331 83 Y HN 0.718 nan 8.280 nan 0.000 0.456 84 E N 1.252 121.625 120.200 0.288 0.000 2.085 84 E HA -0.131 4.219 4.350 -0.000 0.000 0.194 84 E C -1.136 175.613 176.600 0.248 0.000 0.994 84 E CA 1.812 58.343 56.400 0.219 0.000 0.801 84 E CB -1.023 28.764 29.700 0.144 0.000 0.743 84 E HN 0.579 nan 8.360 nan 0.000 0.453 85 P HA -0.219 nan 4.420 nan 0.000 0.216 85 P C 1.135 178.591 177.300 0.260 0.000 1.153 85 P CA 1.228 64.478 63.100 0.251 0.000 0.858 85 P CB -0.148 31.706 31.700 0.257 0.000 0.789 86 Y N 0.029 120.439 120.300 0.183 0.000 2.114 86 Y HA -0.225 4.325 4.550 -0.000 0.000 0.284 86 Y C 2.207 178.037 175.900 -0.117 0.000 1.143 86 Y CA 0.890 58.947 58.100 -0.071 0.000 1.135 86 Y CB -0.819 37.350 38.460 -0.485 0.000 0.980 86 Y HN -0.207 nan 8.280 nan 0.000 0.499 87 L N 1.129 122.528 121.223 0.295 0.000 2.042 87 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 87 L C 2.265 179.209 176.870 0.122 0.000 1.076 87 L CA 2.484 57.451 54.840 0.211 0.000 0.749 87 L CB -0.984 41.194 42.059 0.198 0.000 0.893 87 L HN 0.453 nan 8.230 nan 0.000 0.432 88 E N -0.857 119.409 120.200 0.111 0.000 2.150 88 E HA -0.214 4.135 4.350 -0.000 0.000 0.193 88 E C 2.262 178.877 176.600 0.026 0.000 0.985 88 E CA 0.998 57.435 56.400 0.063 0.000 0.814 88 E CB -0.153 29.587 29.700 0.065 0.000 0.752 88 E HN 0.618 nan 8.360 nan 0.000 0.466 89 L N 0.332 121.564 121.223 0.015 0.000 2.072 89 L HA -0.167 4.173 4.340 -0.000 0.000 0.205 89 L C 2.385 179.222 176.870 -0.054 0.000 1.079 89 L CA 1.112 55.930 54.840 -0.036 0.000 0.752 89 L CB -0.359 41.667 42.059 -0.055 0.000 0.906 89 L HN 0.427 nan 8.230 nan 0.000 0.436 90 C N 0.320 119.597 119.300 -0.038 0.000 2.413 90 C HA -0.190 4.270 4.460 -0.000 0.000 0.276 90 C C 2.503 177.485 174.990 -0.013 0.000 1.236 90 C CA 0.900 59.907 59.018 -0.019 0.000 1.735 90 C CB -0.902 26.852 27.740 0.023 0.000 2.031 90 C HN 0.545 nan 8.230 nan 0.000 0.474 91 E N 0.585 120.788 120.200 0.004 0.000 2.058 91 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 91 E C 1.921 178.504 176.600 -0.028 0.000 0.997 91 E CA 1.371 57.770 56.400 -0.002 0.000 0.801 91 E CB -0.223 29.484 29.700 0.012 0.000 0.746 91 E HN 0.659 nan 8.360 nan 0.000 0.450 92 I N 0.519 121.066 120.570 -0.039 0.000 2.315 92 I HA -0.248 3.921 4.170 -0.000 0.000 0.248 92 I C 2.308 178.370 176.117 -0.092 0.000 1.117 92 I CA 0.656 61.920 61.300 -0.060 0.000 1.404 92 I CB -0.126 37.838 38.000 -0.060 0.000 1.071 92 I HN 0.172 nan 8.210 nan 0.000 0.419 93 M N 0.103 119.629 119.600 -0.123 0.000 2.175 93 M HA -0.124 4.356 4.480 -0.000 0.000 0.264 93 M C 1.943 178.161 176.300 -0.138 0.000 1.063 93 M CA 1.437 56.627 55.300 -0.183 0.000 1.119 93 M CB -1.517 30.916 32.600 -0.277 0.000 1.377 93 M HN 0.240 nan 8.290 nan 0.000 0.415 94 N N 1.258 119.907 118.700 -0.084 0.000 2.205 94 N HA -0.203 4.536 4.740 -0.000 0.000 0.186 94 N C 1.731 177.185 175.510 -0.093 0.000 1.015 94 N CA 1.474 54.484 53.050 -0.068 0.000 0.862 94 N CB -0.341 38.130 38.487 -0.028 0.000 0.986 94 N HN 0.673 nan 8.380 nan 0.000 0.429 95 Q N 0.173 119.922 119.800 -0.085 0.000 2.250 95 Q HA 0.098 4.438 4.340 -0.000 0.000 0.200 95 Q C 1.295 177.236 176.000 -0.098 0.000 0.941 95 Q CA 0.692 56.442 55.803 -0.088 0.000 0.872 95 Q CB 0.011 28.712 28.738 -0.062 0.000 0.965 95 Q HN 0.134 nan 8.270 nan 0.000 0.480 96 K N 0.678 121.022 120.400 -0.094 0.000 2.314 96 K HA 0.162 4.482 4.320 -0.000 0.000 0.198 96 K C 0.144 176.701 176.600 -0.071 0.000 1.045 96 K CA 0.056 56.303 56.287 -0.066 0.000 0.988 96 K CB 0.701 33.176 32.500 -0.043 0.000 0.783 96 K HN -0.001 nan 8.250 nan 0.000 0.484 97 V N 4.677 124.481 119.914 -0.183 0.000 2.637 97 V HA 0.048 4.168 4.120 -0.000 0.000 0.296 97 V C -2.047 173.895 176.094 -0.253 0.000 1.046 97 V CA -1.697 60.396 62.300 -0.346 0.000 1.066 97 V CB 0.758 32.299 31.823 -0.470 0.000 0.968 97 V HN 0.154 nan 8.190 nan 0.000 0.483 98 P HA 0.267 nan 4.420 nan 0.000 0.266 98 P C 0.027 177.154 177.300 -0.288 0.000 1.195 98 P CA 0.440 63.431 63.100 -0.180 0.000 0.768 98 P CB 0.706 32.352 31.700 -0.090 0.000 0.838 99 G N 1.680 110.234 108.800 -0.410 0.000 2.414 99 G HA2 0.010 3.970 3.960 -0.000 0.000 0.213 99 G HA3 0.010 3.970 3.960 -0.000 0.000 0.213 99 G C -1.097 173.161 174.900 -1.070 0.000 1.444 99 G CA -0.762 43.775 45.100 -0.937 0.000 1.076 99 G HN 0.559 nan 8.290 nan 0.000 0.638 100 D N 1.484 121.464 120.400 -0.700 0.000 2.713 100 D HA 0.574 5.214 4.640 -0.000 0.000 0.229 100 D C 0.268 176.476 176.300 -0.153 0.000 1.136 100 D CA 0.165 53.970 54.000 -0.325 0.000 1.010 100 D CB -0.610 40.139 40.800 -0.086 0.000 1.084 100 D HN 0.607 nan 8.370 nan 0.000 0.495 101 F N -0.922 119.016 119.950 -0.021 0.000 2.807 101 F HA 0.598 5.124 4.527 -0.000 0.000 0.316 101 F C -0.868 174.920 175.800 -0.020 0.000 1.162 101 F CA -1.969 56.020 58.000 -0.019 0.000 0.910 101 F CB 0.118 39.107 39.000 -0.019 0.000 1.314 101 F HN -0.070 nan 8.300 nan 0.000 0.454 102 A N 1.546 124.521 122.820 0.259 0.000 2.477 102 A HA 0.612 4.932 4.320 -0.000 0.000 0.246 102 A C -0.376 177.339 177.584 0.218 0.000 1.078 102 A CA -0.250 51.878 52.037 0.152 0.000 0.770 102 A CB 0.029 19.090 19.000 0.101 0.000 1.011 102 A HN 0.707 nan 8.150 nan 0.000 0.494 103 K N 1.395 121.862 120.400 0.112 0.000 2.433 103 K HA 0.657 4.977 4.320 -0.000 0.000 0.252 103 K C -0.999 175.637 176.600 0.060 0.000 1.015 103 K CA -0.852 55.500 56.287 0.108 0.000 0.860 103 K CB 2.368 34.903 32.500 0.059 0.000 1.359 103 K HN 0.659 nan 8.250 nan 0.000 0.452 104 K N 0.501 120.936 120.400 0.057 0.000 2.435 104 K HA 0.459 4.779 4.320 -0.000 0.000 0.251 104 K C -1.264 175.366 176.600 0.049 0.000 0.954 104 K CA -0.764 55.551 56.287 0.047 0.000 0.820 104 K CB 2.523 35.051 32.500 0.047 0.000 1.292 104 K HN 0.469 nan 8.250 nan 0.000 0.436 105 T N 1.828 116.413 114.554 0.052 0.000 2.848 105 T HA 0.382 4.732 4.350 -0.000 0.000 0.285 105 T C -1.394 173.335 174.700 0.047 0.000 0.995 105 T CA -0.642 61.497 62.100 0.066 0.000 0.970 105 T CB 1.031 69.945 68.868 0.078 0.000 0.976 105 T HN 0.314 nan 8.240 nan 0.000 0.441 106 L N 4.440 125.677 121.223 0.023 0.000 2.307 106 L HA 0.671 5.010 4.340 -0.000 0.000 0.284 106 L C -1.384 175.427 176.870 -0.097 0.000 1.023 106 L CA -0.528 54.311 54.840 -0.001 0.000 0.810 106 L CB 0.725 42.783 42.059 -0.002 0.000 1.231 106 L HN 0.589 nan 8.230 nan 0.000 0.423 107 L N 6.229 127.338 121.223 -0.190 0.000 2.307 107 L HA 0.675 5.015 4.340 -0.000 0.000 0.284 107 L C 0.139 176.929 176.870 -0.133 0.000 1.023 107 L CA -0.714 53.941 54.840 -0.308 0.000 0.810 107 L CB 1.571 43.157 42.059 -0.789 0.000 1.231 107 L HN 0.663 nan 8.230 nan 0.000 0.423 108 V N -0.173 119.670 119.914 -0.117 0.000 4.781 108 V HA 0.575 4.695 4.120 -0.000 0.000 0.288 108 V C 0.374 176.475 176.094 0.011 0.000 1.442 108 V CA -0.171 62.116 62.300 -0.023 0.000 0.846 108 V CB 1.436 33.233 31.823 -0.043 0.000 1.330 108 V HN 0.701 nan 8.190 nan 0.000 0.450 109 T N 0.359 114.939 114.554 0.042 0.000 2.989 109 T HA 0.273 4.623 4.350 -0.000 0.000 0.250 109 T C 0.585 175.311 174.700 0.043 0.000 0.981 109 T CA 0.880 63.024 62.100 0.074 0.000 0.980 109 T CB 0.184 69.144 68.868 0.153 0.000 1.133 109 T HN 1.080 nan 8.240 nan 0.000 0.489 110 T N -1.030 113.539 114.554 0.025 0.000 2.924 110 T HA 0.628 4.977 4.350 -0.000 0.000 0.291 110 T C 1.517 176.211 174.700 -0.010 0.000 1.045 110 T CA -0.111 62.001 62.100 0.019 0.000 1.015 110 T CB 1.730 70.621 68.868 0.038 0.000 1.103 110 T HN 0.015 nan 8.240 nan 0.000 0.496 111 G N 0.883 109.686 108.800 0.005 0.000 2.450 111 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.220 111 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.220 111 G C 1.548 176.447 174.900 -0.001 0.000 1.130 111 G CA 0.960 46.061 45.100 0.002 0.000 0.760 111 G HN 0.696 nan 8.290 nan 0.000 0.557 112 S N 0.298 116.001 115.700 0.005 0.000 2.355 112 S HA -0.069 4.400 4.470 -0.000 0.000 0.222 112 S C 2.198 176.797 174.600 -0.002 0.000 1.031 112 S CA 1.304 59.502 58.200 -0.005 0.000 0.993 112 S CB -0.198 63.000 63.200 -0.003 0.000 0.859 112 S HN 0.580 nan 8.310 nan 0.000 0.453 113 E N 1.168 121.366 120.200 -0.003 0.000 2.110 113 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 113 E C 2.363 178.939 176.600 -0.040 0.000 0.988 113 E CA 0.905 57.299 56.400 -0.010 0.000 0.804 113 E CB -0.256 29.444 29.700 -0.000 0.000 0.745 113 E HN 0.489 nan 8.360 nan 0.000 0.458 114 A N 1.129 123.908 122.820 -0.069 0.000 1.865 114 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 114 A C 2.547 180.087 177.584 -0.074 0.000 1.191 114 A CA 1.582 53.551 52.037 -0.115 0.000 0.623 114 A CB -0.884 18.012 19.000 -0.173 0.000 0.826 114 A HN 0.128 nan 8.150 nan 0.000 0.444 115 V N 0.266 120.155 119.914 -0.041 0.000 2.343 115 V HA -0.241 3.878 4.120 -0.000 0.000 0.247 115 V C 2.561 178.644 176.094 -0.019 0.000 1.051 115 V CA 2.134 64.416 62.300 -0.029 0.000 1.036 115 V CB -0.821 30.993 31.823 -0.015 0.000 0.654 115 V HN 0.542 nan 8.190 nan 0.000 0.451 116 E N 0.371 120.566 120.200 -0.009 0.000 2.070 116 E HA -0.235 4.115 4.350 -0.000 0.000 0.197 116 E C 2.124 178.680 176.600 -0.072 0.000 1.004 116 E CA 1.491 57.872 56.400 -0.032 0.000 0.805 116 E CB -0.420 29.269 29.700 -0.018 0.000 0.744 116 E HN 0.632 nan 8.360 nan 0.000 0.451 117 N N 0.423 119.089 118.700 -0.057 0.000 2.171 117 N HA -0.090 4.650 4.740 -0.000 0.000 0.184 117 N C 1.886 177.363 175.510 -0.054 0.000 1.021 117 N CA 1.042 54.058 53.050 -0.057 0.000 0.854 117 N CB -0.142 38.317 38.487 -0.048 0.000 0.994 117 N HN 0.087 nan 8.380 nan 0.000 0.426 118 A N 1.209 123.998 122.820 -0.051 0.000 1.892 118 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 118 A C 2.542 180.105 177.584 -0.035 0.000 1.188 118 A CA 1.528 53.542 52.037 -0.039 0.000 0.631 118 A CB -0.895 18.084 19.000 -0.035 0.000 0.822 118 A HN 0.111 nan 8.150 nan 0.000 0.447 119 V N -0.209 119.678 119.914 -0.044 0.000 2.358 119 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 119 V C 2.462 178.505 176.094 -0.085 0.000 1.047 119 V CA 2.374 64.645 62.300 -0.049 0.000 1.035 119 V CB -0.664 31.125 31.823 -0.055 0.000 0.658 119 V HN 0.550 nan 8.190 nan 0.000 0.452 120 K N -0.221 120.112 120.400 -0.111 0.000 2.057 120 K HA -0.110 4.210 4.320 -0.000 0.000 0.207 120 K C 2.007 178.572 176.600 -0.058 0.000 1.049 120 K CA 1.597 57.824 56.287 -0.101 0.000 0.931 120 K CB -0.279 32.164 32.500 -0.096 0.000 0.714 120 K HN 0.391 nan 8.250 nan 0.000 0.440 121 I N 0.569 121.112 120.570 -0.044 0.000 2.315 121 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 121 I C 2.361 178.464 176.117 -0.023 0.000 1.117 121 I CA 1.005 62.288 61.300 -0.028 0.000 1.404 121 I CB -0.252 37.735 38.000 -0.021 0.000 1.071 121 I HN 0.155 nan 8.210 nan 0.000 0.419 122 A N 0.745 123.553 122.820 -0.021 0.000 1.969 122 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 122 A C 2.371 179.949 177.584 -0.010 0.000 1.169 122 A CA 1.245 53.276 52.037 -0.010 0.000 0.635 122 A CB -0.460 18.542 19.000 0.003 0.000 0.810 122 A HN 0.304 nan 8.150 nan 0.000 0.445 123 R N -0.506 119.983 120.500 -0.019 0.000 2.075 123 R HA -0.035 4.305 4.340 -0.000 0.000 0.232 123 R C 2.436 178.725 176.300 -0.019 0.000 1.126 123 R CA 1.183 57.273 56.100 -0.017 0.000 0.963 123 R CB -0.404 29.877 30.300 -0.032 0.000 0.858 123 R HN 0.492 nan 8.270 nan 0.000 0.435 124 A N 1.014 123.820 122.820 -0.023 0.000 1.969 124 A HA -0.025 4.294 4.320 -0.000 0.000 0.218 124 A C 2.283 179.856 177.584 -0.018 0.000 1.169 124 A CA 1.504 53.528 52.037 -0.020 0.000 0.635 124 A CB -0.418 18.570 19.000 -0.021 0.000 0.810 124 A HN 0.383 nan 8.150 nan 0.000 0.445 125 A N -0.441 122.368 122.820 -0.018 0.000 1.898 125 A HA -0.010 4.309 4.320 -0.000 0.000 0.214 125 A C 2.342 179.914 177.584 -0.020 0.000 1.183 125 A CA 2.193 54.217 52.037 -0.020 0.000 0.622 125 A CB -0.961 18.025 19.000 -0.023 0.000 0.824 125 A HN 0.712 nan 8.150 nan 0.000 0.444 126 T N -4.579 109.965 114.554 -0.016 0.000 3.057 126 T HA 0.132 4.482 4.350 -0.000 0.000 0.254 126 T C 0.599 175.290 174.700 -0.015 0.000 1.094 126 T CA 0.641 62.731 62.100 -0.015 0.000 1.088 126 T CB -0.052 68.811 68.868 -0.008 0.000 0.934 126 T HN 0.361 nan 8.240 nan 0.000 0.497 127 K N 0.918 121.310 120.400 -0.014 0.000 3.129 127 K HA -0.131 4.189 4.320 -0.000 0.000 0.273 127 K C -0.320 176.273 176.600 -0.012 0.000 1.123 127 K CA 0.527 56.806 56.287 -0.014 0.000 0.800 127 K CB -1.649 30.841 32.500 -0.016 0.000 1.238 127 K HN 0.601 nan 8.250 nan 0.000 0.492 128 R N -0.957 119.539 120.500 -0.007 0.000 2.892 128 R HA 0.442 4.782 4.340 -0.000 0.000 0.265 128 R C 0.836 177.142 176.300 0.011 0.000 1.025 128 R CA -0.647 55.451 56.100 -0.003 0.000 0.982 128 R CB 1.333 31.633 30.300 -0.000 0.000 1.185 128 R HN -0.062 nan 8.270 nan 0.000 0.484 129 S N -0.585 115.127 115.700 0.019 0.000 2.520 129 S HA 0.158 4.628 4.470 -0.000 0.000 0.219 129 S C 0.582 175.252 174.600 0.117 0.000 1.028 129 S CA -0.132 58.098 58.200 0.050 0.000 0.921 129 S CB 1.059 64.282 63.200 0.039 0.000 0.844 129 S HN 0.734 nan 8.310 nan 0.000 0.495 130 G N 1.872 110.747 108.800 0.127 0.000 2.451 130 G HA2 0.532 4.492 3.960 -0.000 0.000 0.303 130 G HA3 0.532 4.492 3.960 -0.000 0.000 0.303 130 G C -0.356 174.688 174.900 0.239 0.000 1.166 130 G CA -0.271 44.978 45.100 0.247 0.000 0.884 130 G HN 0.276 nan 8.290 nan 0.000 0.514 131 T N -1.927 112.804 114.554 0.294 0.000 2.896 131 T HA 0.704 5.054 4.350 -0.000 0.000 0.297 131 T C -0.579 174.259 174.700 0.229 0.000 1.108 131 T CA -0.748 61.488 62.100 0.226 0.000 1.004 131 T CB 1.792 70.794 68.868 0.223 0.000 1.159 131 T HN 0.363 nan 8.240 nan 0.000 0.499 132 I N 1.256 121.915 120.570 0.149 0.000 2.465 132 I HA 0.713 4.883 4.170 -0.000 0.000 0.291 132 I C 0.059 176.198 176.117 0.036 0.000 1.014 132 I CA -1.022 60.320 61.300 0.071 0.000 1.093 132 I CB 1.805 39.793 38.000 -0.020 0.000 1.267 132 I HN 1.060 nan 8.210 nan 0.000 0.431 133 A N 5.341 128.155 122.820 -0.009 0.000 2.486 133 A HA 0.891 5.210 4.320 -0.000 0.000 0.289 133 A C -1.433 176.153 177.584 0.003 0.000 1.176 133 A CA -0.410 51.711 52.037 0.140 0.000 0.757 133 A CB 1.209 20.322 19.000 0.188 0.000 1.337 133 A HN 0.465 nan 8.150 nan 0.000 0.423 134 F N 0.409 120.482 119.950 0.204 0.000 2.497 134 F HA 0.517 5.044 4.527 -0.000 0.000 0.331 134 F C 1.291 177.165 175.800 0.123 0.000 1.060 134 F CA -0.235 57.882 58.000 0.195 0.000 0.989 134 F CB 1.675 40.887 39.000 0.353 0.000 1.245 134 F HN 0.565 nan 8.300 nan 0.000 0.486 135 S N 0.068 115.941 115.700 0.288 0.000 2.549 135 S HA 0.412 4.882 4.470 -0.000 0.000 0.286 135 S C 0.959 175.626 174.600 0.111 0.000 1.314 135 S CA -0.056 58.233 58.200 0.148 0.000 1.062 135 S CB 0.533 63.802 63.200 0.116 0.000 0.865 135 S HN 1.537 nan 8.310 nan 0.000 0.498 136 G N 1.292 110.110 108.800 0.029 0.000 2.184 136 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.264 136 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.264 136 G C 0.368 175.243 174.900 -0.041 0.000 0.975 136 G CA 0.095 45.179 45.100 -0.027 0.000 0.642 136 G HN 1.607 nan 8.290 nan 0.000 0.536 137 A N -0.641 122.168 122.820 -0.019 0.000 2.366 137 A HA 0.656 4.976 4.320 -0.000 0.000 0.249 137 A C -0.357 177.122 177.584 -0.176 0.000 1.084 137 A CA 0.385 52.342 52.037 -0.134 0.000 0.794 137 A CB 0.641 19.602 19.000 -0.065 0.000 1.034 137 A HN 1.523 nan 8.150 nan 0.000 0.491 138 Y N 0.485 120.486 120.300 -0.498 0.000 2.354 138 Y HA 0.492 5.042 4.550 -0.000 0.000 0.330 138 Y C 0.014 175.586 175.900 -0.546 0.000 1.011 138 Y CA -0.555 57.307 58.100 -0.397 0.000 1.099 138 Y CB 1.396 39.716 38.460 -0.232 0.000 1.179 138 Y HN 0.767 nan 8.280 nan 0.000 0.442 139 H N 3.641 122.339 119.070 -0.620 0.000 3.233 139 H HA 0.506 5.062 4.556 -0.000 0.000 0.263 139 H C 0.578 175.614 175.328 -0.486 0.000 1.168 139 H CA 0.401 56.219 56.048 -0.383 0.000 1.159 139 H CB 1.196 30.855 29.762 -0.171 0.000 1.593 139 H HN 0.863 nan 8.280 nan 0.000 0.580 140 G N 0.703 108.973 108.800 -0.883 0.000 2.361 140 G HA2 -0.045 3.914 3.960 -0.000 0.000 0.331 140 G HA3 -0.045 3.914 3.960 -0.000 0.000 0.331 140 G C -0.444 174.185 174.900 -0.451 0.000 1.324 140 G CA -0.980 43.818 45.100 -0.504 0.000 0.984 140 G HN 0.138 nan 8.290 nan 0.000 0.586 141 R N 0.016 120.395 120.500 -0.201 0.000 2.629 141 R HA 0.240 4.580 4.340 -0.000 0.000 0.386 141 R C 0.839 177.098 176.300 -0.068 0.000 1.071 141 R CA 0.416 56.433 56.100 -0.139 0.000 1.104 141 R CB 0.785 31.048 30.300 -0.061 0.000 1.370 141 R HN 0.769 nan 8.270 nan 0.000 0.574 142 T N -2.886 111.649 114.554 -0.033 0.000 2.847 142 T HA 0.145 4.495 4.350 -0.000 0.000 0.279 142 T C 1.094 175.824 174.700 0.050 0.000 0.984 142 T CA -0.475 61.653 62.100 0.046 0.000 0.988 142 T CB 1.235 70.154 68.868 0.085 0.000 1.040 142 T HN 0.093 nan 8.240 nan 0.000 0.528 143 H N -0.622 118.468 119.070 0.033 0.000 2.289 143 H HA -0.087 4.469 4.556 -0.000 0.000 0.294 143 H C 1.710 177.053 175.328 0.026 0.000 1.095 143 H CA 2.750 58.816 56.048 0.029 0.000 1.256 143 H CB -0.537 29.251 29.762 0.043 0.000 1.359 143 H HN 0.755 nan 8.280 nan 0.000 0.487 144 Y N 1.044 121.404 120.300 0.099 0.000 2.181 144 Y HA -0.241 4.309 4.550 -0.000 0.000 0.288 144 Y C 2.727 178.623 175.900 -0.008 0.000 1.146 144 Y CA 1.880 59.999 58.100 0.032 0.000 1.164 144 Y CB -0.399 38.072 38.460 0.018 0.000 0.982 144 Y HN 0.368 nan 8.280 nan 0.000 0.515 145 T N -1.737 112.868 114.554 0.085 0.000 2.962 145 T HA -0.151 4.199 4.350 -0.000 0.000 0.270 145 T C 1.919 176.532 174.700 -0.144 0.000 1.088 145 T CA 1.314 63.398 62.100 -0.026 0.000 1.127 145 T CB -0.697 68.155 68.868 -0.027 0.000 0.883 145 T HN 0.377 nan 8.240 nan 0.000 0.493 146 L N 0.580 121.719 121.223 -0.140 0.000 2.141 146 L HA 0.097 4.436 4.340 -0.000 0.000 0.209 146 L C 3.227 180.018 176.870 -0.132 0.000 1.094 146 L CA 1.007 55.758 54.840 -0.148 0.000 0.763 146 L CB -0.638 41.352 42.059 -0.114 0.000 0.908 146 L HN 0.379 nan 8.230 nan 0.000 0.437 147 A N 0.087 122.795 122.820 -0.188 0.000 1.930 147 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 147 A C 2.201 179.655 177.584 -0.217 0.000 1.175 147 A CA 1.283 53.179 52.037 -0.235 0.000 0.627 147 A CB -0.538 18.232 19.000 -0.383 0.000 0.815 147 A HN 0.357 nan 8.150 nan 0.000 0.443 148 L N -0.455 120.635 121.223 -0.223 0.000 2.109 148 L HA -0.051 4.289 4.340 -0.000 0.000 0.207 148 L C 0.895 177.816 176.870 0.085 0.000 1.086 148 L CA 0.524 55.337 54.840 -0.045 0.000 0.760 148 L CB -0.882 41.189 42.059 0.021 0.000 0.910 148 L HN 0.160 nan 8.230 nan 0.000 0.437 149 T N 0.824 115.362 114.554 -0.027 0.000 2.871 149 T HA 0.093 4.443 4.350 -0.000 0.000 0.296 149 T C 0.842 175.539 174.700 -0.005 0.000 0.998 149 T CA 0.217 62.255 62.100 -0.102 0.000 1.162 149 T CB 0.801 69.520 68.868 -0.249 0.000 0.947 149 T HN 0.386 nan 8.240 nan 0.000 0.536 150 G N 3.415 112.225 108.800 0.018 0.000 3.717 150 G HA2 0.404 4.364 3.960 -0.000 0.000 0.258 150 G HA3 0.404 4.364 3.960 -0.000 0.000 0.258 150 G C -0.044 174.887 174.900 0.052 0.000 1.088 150 G CA -0.303 44.820 45.100 0.038 0.000 1.737 150 G HN 0.647 nan 8.290 nan 0.000 0.648 151 K N 0.541 121.001 120.400 0.100 0.000 2.582 151 K HA 0.223 4.543 4.320 -0.000 0.000 0.259 151 K C -0.116 176.570 176.600 0.144 0.000 0.973 151 K CA -0.682 55.670 56.287 0.107 0.000 0.880 151 K CB 1.324 33.935 32.500 0.185 0.000 1.310 151 K HN -0.099 nan 8.250 nan 0.000 0.443 152 V N 1.980 121.918 119.914 0.040 0.000 2.599 152 V HA 0.033 4.153 4.120 -0.000 0.000 0.245 152 V C 0.762 176.839 176.094 -0.028 0.000 1.046 152 V CA 0.600 62.918 62.300 0.031 0.000 1.065 152 V CB -0.120 31.706 31.823 0.005 0.000 0.703 152 V HN 0.722 nan 8.190 nan 0.000 0.464 153 N N 1.186 119.825 118.700 -0.102 0.000 2.400 153 N HA 0.222 4.961 4.740 -0.000 0.000 0.288 153 N C -2.092 173.203 175.510 -0.358 0.000 1.024 153 N CA -1.465 51.490 53.050 -0.159 0.000 0.894 153 N CB 2.600 41.039 38.487 -0.080 0.000 1.173 153 N HN 0.077 nan 8.380 nan 0.000 0.487 154 P HA 0.076 nan 4.420 nan 0.000 0.267 154 P C 0.680 177.918 177.300 -0.104 0.000 1.289 154 P CA 0.234 63.207 63.100 -0.211 0.000 0.866 154 P CB 0.154 31.759 31.700 -0.157 0.000 1.309 155 Y N 1.560 121.872 120.300 0.020 0.000 2.030 155 Y HA -0.228 4.322 4.550 -0.000 0.000 0.272 155 Y C 2.366 178.252 175.900 -0.024 0.000 1.185 155 Y CA 1.501 59.609 58.100 0.014 0.000 1.120 155 Y CB -1.400 37.084 38.460 0.039 0.000 0.955 155 Y HN -0.011 nan 8.280 nan 0.000 0.495 156 S N -0.480 115.294 115.700 0.122 0.000 2.535 156 S HA 0.335 4.805 4.470 -0.000 0.000 0.214 156 S C 0.913 175.515 174.600 0.004 0.000 0.980 156 S CA -0.033 58.186 58.200 0.032 0.000 0.907 156 S CB -0.162 63.048 63.200 0.017 0.000 0.790 156 S HN 0.396 nan 8.310 nan 0.000 0.510 157 A N 1.341 124.160 122.820 -0.002 0.000 2.584 157 A HA 0.411 4.731 4.320 -0.000 0.000 0.239 157 A C 1.646 179.225 177.584 -0.009 0.000 1.043 157 A CA 0.731 52.760 52.037 -0.013 0.000 0.756 157 A CB -0.893 18.091 19.000 -0.027 0.000 0.963 157 A HN 1.076 nan 8.150 nan 0.000 0.511 158 G N 1.770 110.566 108.800 -0.007 0.000 2.284 158 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.261 158 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.261 158 G C 0.903 175.803 174.900 0.001 0.000 0.997 158 G CA 1.107 46.205 45.100 -0.003 0.000 0.621 158 G HN 0.777 nan 8.290 nan 0.000 0.534 159 M N 0.627 120.225 119.600 -0.002 0.000 2.558 159 M HA 0.396 4.876 4.480 -0.000 0.000 0.255 159 M C 1.552 177.858 176.300 0.011 0.000 1.113 159 M CA 1.278 56.579 55.300 0.001 0.000 1.097 159 M CB 0.067 32.654 32.600 -0.022 0.000 1.426 159 M HN 1.470 nan 8.290 nan 0.000 0.488 160 G N 0.972 109.775 108.800 0.005 0.000 2.610 160 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.304 160 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.304 160 G C -0.857 174.045 174.900 0.003 0.000 1.309 160 G CA -1.137 43.967 45.100 0.008 0.000 0.906 160 G HN 0.197 nan 8.290 nan 0.000 0.521 161 L N 0.822 122.046 121.223 0.001 0.000 2.367 161 L HA 0.367 4.707 4.340 -0.000 0.000 0.275 161 L C 1.330 178.200 176.870 0.001 0.000 1.129 161 L CA -0.690 54.144 54.840 -0.010 0.000 0.839 161 L CB 0.681 42.727 42.059 -0.021 0.000 1.133 161 L HN 0.507 nan 8.230 nan 0.000 0.453 162 M N 3.023 122.612 119.600 -0.018 0.000 2.202 162 M HA 0.309 4.789 4.480 -0.000 0.000 0.316 162 M C -1.847 174.436 176.300 -0.028 0.000 1.138 162 M CA -2.147 53.151 55.300 -0.004 0.000 1.151 162 M CB -0.662 31.906 32.600 -0.053 0.000 1.422 162 M HN 0.250 nan 8.290 nan 0.000 0.471 163 P HA 0.006 nan 4.420 nan 0.000 0.265 163 P C 0.054 177.274 177.300 -0.133 0.000 1.167 163 P CA 0.374 63.456 63.100 -0.030 0.000 0.760 163 P CB 0.210 31.956 31.700 0.076 0.000 0.783 164 G N 0.620 109.307 108.800 -0.189 0.000 2.525 164 G HA2 0.243 4.203 3.960 -0.000 0.000 0.287 164 G HA3 0.243 4.203 3.960 -0.000 0.000 0.287 164 G C -0.576 174.170 174.900 -0.256 0.000 1.350 164 G CA -0.606 44.312 45.100 -0.303 0.000 1.039 164 G HN 0.795 nan 8.290 nan 0.000 0.513 165 H N -3.352 115.577 119.070 -0.235 0.000 2.880 165 H HA -0.141 4.414 4.556 -0.000 0.000 0.304 165 H C -0.805 174.332 175.328 -0.318 0.000 1.259 165 H CA 0.006 55.918 56.048 -0.227 0.000 1.153 165 H CB -1.638 28.169 29.762 0.075 0.000 1.395 165 H HN 0.260 nan 8.280 nan 0.000 0.420 166 V N 1.603 121.188 119.914 -0.548 0.000 2.525 166 V HA 0.351 4.471 4.120 -0.000 0.000 0.299 166 V C -0.365 175.362 176.094 -0.611 0.000 1.034 166 V CA -0.749 61.327 62.300 -0.373 0.000 0.863 166 V CB 1.114 32.744 31.823 -0.321 0.000 0.999 166 V HN 0.201 nan 8.190 nan 0.000 0.423 167 Y N 2.881 123.168 120.300 -0.021 0.000 2.446 167 Y HA 0.769 5.319 4.550 -0.000 0.000 0.338 167 Y C 0.277 176.118 175.900 -0.100 0.000 1.055 167 Y CA -1.030 57.041 58.100 -0.049 0.000 1.101 167 Y CB 1.408 39.839 38.460 -0.048 0.000 1.221 167 Y HN 0.506 nan 8.280 nan 0.000 0.460 168 R N 1.638 122.149 120.500 0.017 0.000 2.255 168 R HA 0.776 5.116 4.340 -0.000 0.000 0.326 168 R C -1.048 175.175 176.300 -0.129 0.000 0.986 168 R CA -0.308 55.756 56.100 -0.060 0.000 0.847 168 R CB 0.428 30.710 30.300 -0.029 0.000 1.111 168 R HN 0.830 nan 8.270 nan 0.000 0.452 169 A N 4.403 127.049 122.820 -0.290 0.000 2.313 169 A HA 0.644 4.963 4.320 -0.000 0.000 0.323 169 A C -0.987 176.495 177.584 -0.170 0.000 1.133 169 A CA -0.837 50.980 52.037 -0.367 0.000 0.847 169 A CB 0.940 19.458 19.000 -0.803 0.000 1.308 169 A HN 0.652 nan 8.150 nan 0.000 0.475 170 L N 0.862 122.083 121.223 -0.004 0.000 2.292 170 L HA 0.292 4.632 4.340 -0.000 0.000 0.284 170 L C -0.687 176.407 176.870 0.373 0.000 1.065 170 L CA -0.437 54.495 54.840 0.154 0.000 0.806 170 L CB 0.813 42.916 42.059 0.073 0.000 1.175 170 L HN 0.751 nan 8.230 nan 0.000 0.431 171 Y N 5.800 126.266 120.300 0.275 0.000 2.402 171 Y HA 0.190 4.739 4.550 -0.000 0.000 0.333 171 Y C -1.784 174.038 175.900 -0.130 0.000 1.076 171 Y CA -1.790 56.382 58.100 0.119 0.000 1.299 171 Y CB 0.781 39.272 38.460 0.052 0.000 1.197 171 Y HN 0.352 nan 8.280 nan 0.000 0.517 172 P HA -0.001 nan 4.420 nan 0.000 0.264 172 P C -0.835 176.333 177.300 -0.221 0.000 1.193 172 P CA 0.132 62.925 63.100 -0.511 0.000 0.763 172 P CB 0.740 31.866 31.700 -0.956 0.000 0.810 173 C N 6.033 125.255 119.300 -0.129 0.000 3.280 173 C HA 0.279 4.739 4.460 -0.000 0.000 0.334 173 C C -1.690 173.269 174.990 -0.051 0.000 0.977 173 C CA -1.348 57.603 59.018 -0.111 0.000 1.264 173 C CB -0.103 27.483 27.740 -0.256 0.000 1.688 173 C HN 0.368 nan 8.230 nan 0.000 0.592 174 P HA -0.170 nan 4.420 nan 0.000 0.216 174 P C 1.748 179.061 177.300 0.021 0.000 1.154 174 P CA 1.204 64.306 63.100 0.004 0.000 0.865 174 P CB 0.103 31.811 31.700 0.014 0.000 0.789 175 L N -1.012 120.235 121.223 0.041 0.000 2.064 175 L HA -0.213 4.127 4.340 -0.000 0.000 0.216 175 L C 1.147 177.946 176.870 -0.119 0.000 1.077 175 L CA 2.134 56.987 54.840 0.021 0.000 0.766 175 L CB -1.189 40.935 42.059 0.107 0.000 0.890 175 L HN 0.130 nan 8.230 nan 0.000 0.435 176 H N -1.191 117.876 119.070 -0.004 0.000 2.469 176 H HA 0.468 5.024 4.556 -0.000 0.000 0.286 176 H C 1.243 176.569 175.328 -0.003 0.000 1.106 176 H CA 0.313 56.365 56.048 0.007 0.000 1.055 176 H CB 0.132 29.896 29.762 0.003 0.000 1.618 176 H HN 0.361 nan 8.280 nan 0.000 0.559 177 G N 0.724 109.559 108.800 0.057 0.000 2.176 177 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.253 177 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.253 177 G C 0.009 174.922 174.900 0.023 0.000 0.979 177 G CA 0.010 45.130 45.100 0.034 0.000 0.641 177 G HN 0.277 nan 8.290 nan 0.000 0.530 178 I N 2.932 123.511 120.570 0.014 0.000 2.310 178 I HA 0.356 4.526 4.170 -0.000 0.000 0.287 178 I C 1.142 177.233 176.117 -0.042 0.000 1.073 178 I CA -0.376 60.919 61.300 -0.010 0.000 1.216 178 I CB 0.345 38.336 38.000 -0.015 0.000 1.415 178 I HN 0.352 nan 8.210 nan 0.000 0.480 179 S N 4.311 119.995 115.700 -0.027 0.000 2.614 179 S HA 0.240 4.710 4.470 -0.000 0.000 0.265 179 S C 0.985 175.550 174.600 -0.059 0.000 1.303 179 S CA -0.507 57.674 58.200 -0.032 0.000 1.000 179 S CB 1.524 64.724 63.200 -0.000 0.000 0.935 179 S HN 0.583 nan 8.310 nan 0.000 0.551 180 E N 0.509 120.679 120.200 -0.051 0.000 2.153 180 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 180 E C 0.959 177.623 176.600 0.106 0.000 0.988 180 E CA 1.257 57.643 56.400 -0.023 0.000 0.811 180 E CB -0.194 29.566 29.700 0.100 0.000 0.746 180 E HN 0.637 nan 8.360 nan 0.000 0.466 181 D N 0.960 121.410 120.400 0.083 0.000 2.117 181 D HA -0.129 4.510 4.640 -0.000 0.000 0.198 181 D C 1.541 177.895 176.300 0.089 0.000 0.982 181 D CA 0.854 54.913 54.000 0.099 0.000 0.828 181 D CB -0.206 40.637 40.800 0.072 0.000 0.967 181 D HN 0.094 nan 8.370 nan 0.000 0.464 182 D N 0.395 120.826 120.400 0.052 0.000 2.117 182 D HA -0.122 4.518 4.640 -0.000 0.000 0.197 182 D C 1.986 178.318 176.300 0.053 0.000 0.987 182 D CA 1.246 55.271 54.000 0.042 0.000 0.829 182 D CB -0.208 40.603 40.800 0.019 0.000 0.961 182 D HN 0.140 nan 8.370 nan 0.000 0.460 183 A N 1.324 124.171 122.820 0.046 0.000 1.877 183 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 183 A C 2.238 179.944 177.584 0.204 0.000 1.186 183 A CA 0.979 53.074 52.037 0.097 0.000 0.620 183 A CB -0.515 18.432 19.000 -0.089 0.000 0.822 183 A HN 0.124 nan 8.150 nan 0.000 0.443 184 I N -0.070 120.657 120.570 0.262 0.000 2.252 184 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 184 I C 2.916 179.066 176.117 0.054 0.000 1.102 184 I CA 1.411 62.809 61.300 0.165 0.000 1.385 184 I CB -1.603 36.511 38.000 0.191 0.000 1.064 184 I HN 0.366 nan 8.210 nan 0.000 0.414 185 A N 1.124 124.018 122.820 0.123 0.000 1.972 185 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 185 A C 2.511 180.117 177.584 0.037 0.000 1.169 185 A CA 2.117 54.235 52.037 0.134 0.000 0.635 185 A CB -0.749 18.313 19.000 0.104 0.000 0.810 185 A HN 0.561 nan 8.150 nan 0.000 0.446 186 S N -0.229 115.467 115.700 -0.007 0.000 2.447 186 S HA -0.051 4.419 4.470 -0.000 0.000 0.233 186 S C 1.782 176.271 174.600 -0.185 0.000 1.006 186 S CA 1.225 59.386 58.200 -0.064 0.000 0.957 186 S CB -0.647 62.525 63.200 -0.047 0.000 0.773 186 S HN 0.510 nan 8.310 nan 0.000 0.507 187 I N 1.013 121.417 120.570 -0.277 0.000 2.277 187 I HA -0.089 4.081 4.170 -0.000 0.000 0.243 187 I C 2.729 178.370 176.117 -0.794 0.000 1.094 187 I CA 1.119 62.084 61.300 -0.559 0.000 1.393 187 I CB -0.577 37.088 38.000 -0.558 0.000 1.078 187 I HN 0.312 nan 8.210 nan 0.000 0.417 188 H N 0.781 119.642 119.070 -0.348 0.000 2.421 188 H HA -0.149 4.407 4.556 -0.000 0.000 0.298 188 H C 2.281 177.529 175.328 -0.132 0.000 1.087 188 H CA 1.313 57.257 56.048 -0.173 0.000 1.330 188 H CB -0.312 29.464 29.762 0.023 0.000 1.388 188 H HN 0.277 nan 8.280 nan 0.000 0.526 189 R N 0.636 121.116 120.500 -0.034 0.000 2.081 189 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 189 R C 2.377 178.634 176.300 -0.072 0.000 1.131 189 R CA 1.149 57.234 56.100 -0.025 0.000 0.960 189 R CB -0.216 30.068 30.300 -0.026 0.000 0.856 189 R HN 0.201 nan 8.270 nan 0.000 0.436 190 I N -0.050 120.405 120.570 -0.193 0.000 2.179 190 I HA -0.307 3.863 4.170 -0.000 0.000 0.242 190 I C 1.926 177.970 176.117 -0.122 0.000 1.088 190 I CA 1.526 62.702 61.300 -0.207 0.000 1.357 190 I CB -0.328 37.480 38.000 -0.320 0.000 1.051 190 I HN 0.203 nan 8.210 nan 0.000 0.409 191 F N 0.777 120.646 119.950 -0.135 0.000 2.126 191 F HA -0.301 4.226 4.527 -0.000 0.000 0.299 191 F C 2.623 178.364 175.800 -0.099 0.000 1.096 191 F CA 0.974 58.888 58.000 -0.143 0.000 1.255 191 F CB -0.255 38.678 39.000 -0.112 0.000 0.997 191 F HN 0.014 nan 8.300 nan 0.000 0.479 192 K N 0.601 121.085 120.400 0.141 0.000 2.116 192 K HA -0.052 4.268 4.320 -0.000 0.000 0.203 192 K C 1.401 178.018 176.600 0.028 0.000 1.052 192 K CA 1.311 57.641 56.287 0.072 0.000 0.952 192 K CB -0.281 32.261 32.500 0.069 0.000 0.729 192 K HN 0.095 nan 8.250 nan 0.000 0.446 193 N N -0.172 118.534 118.700 0.011 0.000 2.387 193 N HA -0.015 4.725 4.740 -0.000 0.000 0.176 193 N C 0.466 175.971 175.510 -0.008 0.000 1.022 193 N CA 1.056 54.108 53.050 0.004 0.000 0.883 193 N CB 0.399 38.891 38.487 0.009 0.000 1.019 193 N HN 0.235 nan 8.380 nan 0.000 0.435 194 D N -0.420 119.948 120.400 -0.054 0.000 2.461 194 D HA 0.228 4.868 4.640 -0.000 0.000 0.266 194 D C -0.231 175.930 176.300 -0.232 0.000 1.085 194 D CA 0.270 54.222 54.000 -0.079 0.000 0.887 194 D CB 1.579 42.383 40.800 0.008 0.000 1.309 194 D HN 0.038 nan 8.370 nan 0.000 0.498 195 A N 0.989 123.612 122.820 -0.329 0.000 2.466 195 A HA 0.640 4.960 4.320 -0.000 0.000 0.284 195 A C -0.527 176.980 177.584 -0.129 0.000 1.049 195 A CA -0.455 51.374 52.037 -0.347 0.000 0.760 195 A CB 1.369 19.881 19.000 -0.814 0.000 1.274 195 A HN 0.060 nan 8.150 nan 0.000 0.412 196 A N 3.740 126.492 122.820 -0.113 0.000 2.466 196 A HA 0.581 4.901 4.320 -0.000 0.000 0.238 196 A C -1.388 176.052 177.584 -0.239 0.000 1.074 196 A CA -0.851 51.101 52.037 -0.142 0.000 0.774 196 A CB -0.233 18.686 19.000 -0.134 0.000 1.015 196 A HN 0.539 nan 8.150 nan 0.000 0.498 197 P HA -0.223 nan 4.420 nan 0.000 0.216 197 P C 1.223 178.339 177.300 -0.308 0.000 1.150 197 P CA 1.770 64.406 63.100 -0.772 0.000 0.843 197 P CB 0.020 30.923 31.700 -1.329 0.000 0.787 198 E N -0.719 119.347 120.200 -0.224 0.000 2.401 198 E HA -0.189 4.161 4.350 -0.000 0.000 0.199 198 E C 0.689 177.237 176.600 -0.086 0.000 1.023 198 E CA 1.062 57.391 56.400 -0.118 0.000 0.859 198 E CB -0.652 28.991 29.700 -0.095 0.000 0.780 198 E HN 0.263 nan 8.360 nan 0.000 0.523 199 D N 0.339 120.683 120.400 -0.094 0.000 2.433 199 D HA 0.139 4.778 4.640 -0.000 0.000 0.211 199 D C -0.077 176.211 176.300 -0.020 0.000 1.114 199 D CA -0.113 53.850 54.000 -0.061 0.000 0.837 199 D CB 0.642 41.392 40.800 -0.083 0.000 0.984 199 D HN 0.159 nan 8.370 nan 0.000 0.505 200 I N 1.737 122.301 120.570 -0.009 0.000 2.306 200 I HA 0.195 4.365 4.170 -0.000 0.000 0.288 200 I C 1.368 177.518 176.117 0.056 0.000 1.036 200 I CA -0.354 60.981 61.300 0.059 0.000 1.221 200 I CB 1.008 39.082 38.000 0.123 0.000 1.385 200 I HN -0.195 nan 8.210 nan 0.000 0.472 201 A N 5.472 128.331 122.820 0.064 0.000 1.968 201 A HA 0.463 4.782 4.320 -0.000 0.000 0.217 201 A C 1.051 178.670 177.584 0.059 0.000 1.169 201 A CA 1.187 53.252 52.037 0.047 0.000 0.638 201 A CB 0.174 19.198 19.000 0.040 0.000 0.812 201 A HN 0.768 nan 8.150 nan 0.000 0.446 202 A N -1.548 121.325 122.820 0.087 0.000 2.612 202 A HA 0.661 4.981 4.320 -0.000 0.000 0.293 202 A C -1.302 176.352 177.584 0.117 0.000 1.075 202 A CA -0.460 51.631 52.037 0.090 0.000 0.680 202 A CB 0.623 19.665 19.000 0.070 0.000 1.279 202 A HN 0.219 nan 8.150 nan 0.000 0.411 203 I N 1.623 122.268 120.570 0.126 0.000 2.410 203 I HA 0.391 4.561 4.170 -0.000 0.000 0.286 203 I C -0.833 175.398 176.117 0.190 0.000 1.009 203 I CA -0.850 60.551 61.300 0.168 0.000 1.111 203 I CB 1.820 39.937 38.000 0.195 0.000 1.262 203 I HN 0.364 nan 8.210 nan 0.000 0.443 204 V N 7.597 127.627 119.914 0.193 0.000 2.439 204 V HA 0.526 4.645 4.120 -0.000 0.000 0.282 204 V C -0.059 176.220 176.094 0.307 0.000 1.039 204 V CA -0.476 61.896 62.300 0.120 0.000 0.913 204 V CB 1.983 33.732 31.823 -0.123 0.000 0.983 204 V HN 0.567 nan 8.190 nan 0.000 0.460 205 I N 2.706 123.425 120.570 0.248 0.000 2.913 205 I HA 0.512 4.682 4.170 -0.000 0.000 0.302 205 I C -0.942 175.326 176.117 0.252 0.000 1.246 205 I CA -0.594 60.871 61.300 0.275 0.000 1.010 205 I CB 2.993 41.040 38.000 0.078 0.000 1.259 205 I HN 0.634 nan 8.210 nan 0.000 0.434 206 E N 6.708 127.060 120.200 0.253 0.000 2.109 206 E HA 0.289 4.639 4.350 -0.000 0.000 0.278 206 E C -2.015 174.698 176.600 0.189 0.000 0.954 206 E CA -1.621 54.890 56.400 0.184 0.000 0.779 206 E CB 1.651 31.401 29.700 0.084 0.000 1.093 206 E HN 0.366 nan 8.360 nan 0.000 0.401 207 P HA -0.161 nan 4.420 nan 0.000 0.216 207 P C -0.231 177.167 177.300 0.163 0.000 1.150 207 P CA 0.982 64.169 63.100 0.146 0.000 0.843 207 P CB 0.328 32.092 31.700 0.107 0.000 0.787 208 V N -0.110 119.856 119.914 0.086 0.000 2.524 208 V HA 0.164 4.284 4.120 -0.000 0.000 0.297 208 V C -0.137 175.919 176.094 -0.062 0.000 1.035 208 V CA -0.812 61.497 62.300 0.015 0.000 0.867 208 V CB 1.621 33.380 31.823 -0.105 0.000 1.004 208 V HN -0.093 nan 8.190 nan 0.000 0.426 209 Q N 2.115 121.843 119.800 -0.121 0.000 2.311 209 Q HA 0.294 4.634 4.340 -0.000 0.000 0.272 209 Q C 1.064 177.037 176.000 -0.046 0.000 1.012 209 Q CA 0.608 56.309 55.803 -0.169 0.000 0.891 209 Q CB 1.753 30.283 28.738 -0.346 0.000 1.201 209 Q HN 0.940 nan 8.270 nan 0.000 0.391 210 G N 2.085 110.891 108.800 0.010 0.000 2.695 210 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.219 210 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.219 210 G C 0.830 175.803 174.900 0.122 0.000 1.295 210 G CA -0.036 45.167 45.100 0.172 0.000 0.882 210 G HN 0.528 nan 8.290 nan 0.000 0.570 211 E N 1.182 121.369 120.200 -0.022 0.000 2.209 211 E HA -0.080 4.269 4.350 -0.000 0.000 0.196 211 E C 2.547 179.084 176.600 -0.104 0.000 0.993 211 E CA 0.982 57.308 56.400 -0.123 0.000 0.819 211 E CB -0.810 28.731 29.700 -0.265 0.000 0.745 211 E HN 0.368 nan 8.360 nan 0.000 0.477 212 G N 0.183 108.940 108.800 -0.071 0.000 2.559 212 G HA2 0.011 3.971 3.960 -0.000 0.000 0.216 212 G HA3 0.011 3.971 3.960 -0.000 0.000 0.216 212 G C 1.032 175.866 174.900 -0.110 0.000 1.126 212 G CA 0.759 45.809 45.100 -0.084 0.000 0.778 212 G HN 0.453 nan 8.290 nan 0.000 0.543 213 G N -1.451 107.232 108.800 -0.196 0.000 2.148 213 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.120 213 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.120 213 G C 0.338 174.907 174.900 -0.551 0.000 1.034 213 G CA -0.199 44.613 45.100 -0.480 0.000 0.710 213 G HN 0.571 nan 8.290 nan 0.000 0.495 214 F N -0.928 118.765 119.950 -0.428 0.000 3.004 214 F HA -0.190 4.337 4.527 -0.000 0.000 0.264 214 F C 0.418 176.049 175.800 -0.282 0.000 0.979 214 F CA 0.218 58.044 58.000 -0.291 0.000 0.896 214 F CB -2.306 36.560 39.000 -0.223 0.000 0.813 214 F HN 0.512 nan 8.300 nan 0.000 0.804 215 Y N -0.332 120.024 120.300 0.093 0.000 2.367 215 Y HA 0.599 5.149 4.550 -0.000 0.000 0.342 215 Y C 0.631 176.609 175.900 0.130 0.000 0.979 215 Y CA -0.599 57.561 58.100 0.100 0.000 1.161 215 Y CB 0.947 39.454 38.460 0.079 0.000 1.155 215 Y HN 0.284 nan 8.280 nan 0.000 0.503 216 A N 2.664 125.656 122.820 0.287 0.000 2.310 216 A HA 0.482 4.802 4.320 -0.000 0.000 0.299 216 A C 0.092 177.815 177.584 0.230 0.000 1.147 216 A CA -0.577 51.590 52.037 0.215 0.000 0.818 216 A CB 0.846 19.915 19.000 0.114 0.000 1.096 216 A HN 0.624 nan 8.150 nan 0.000 0.495 217 S N 1.183 117.003 115.700 0.200 0.000 2.584 217 S HA 0.481 4.951 4.470 -0.000 0.000 0.273 217 S C 0.568 175.229 174.600 0.101 0.000 1.311 217 S CA 0.063 58.315 58.200 0.087 0.000 1.034 217 S CB 0.337 63.605 63.200 0.113 0.000 0.939 217 S HN 1.600 nan 8.310 nan 0.000 0.513 218 S N 3.811 119.573 115.700 0.104 0.000 2.610 218 S HA 0.468 4.937 4.470 -0.000 0.000 0.273 218 S C -2.089 172.578 174.600 0.112 0.000 1.274 218 S CA -1.143 57.118 58.200 0.102 0.000 1.023 218 S CB 0.871 64.127 63.200 0.093 0.000 0.962 218 S HN 0.562 nan 8.310 nan 0.000 0.523 219 P HA -0.040 nan 4.420 nan 0.000 0.215 219 P C 1.569 178.896 177.300 0.045 0.000 1.153 219 P CA 1.898 65.029 63.100 0.052 0.000 0.853 219 P CB -0.188 31.536 31.700 0.040 0.000 0.788 220 A N -1.205 121.652 122.820 0.063 0.000 1.902 220 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 220 A C 2.108 179.731 177.584 0.065 0.000 1.181 220 A CA 1.455 53.527 52.037 0.058 0.000 0.623 220 A CB -1.791 17.252 19.000 0.071 0.000 0.818 220 A HN 0.169 nan 8.150 nan 0.000 0.443 221 F N -0.484 119.454 119.950 -0.021 0.000 2.128 221 F HA -0.077 4.449 4.527 -0.000 0.000 0.295 221 F C 2.078 177.855 175.800 -0.038 0.000 1.100 221 F CA 2.032 60.008 58.000 -0.040 0.000 1.260 221 F CB -0.286 38.659 39.000 -0.092 0.000 1.009 221 F HN 0.228 nan 8.300 nan 0.000 0.476 222 M N 0.796 120.296 119.600 -0.165 0.000 2.159 222 M HA -0.213 4.267 4.480 -0.000 0.000 0.263 222 M C 2.108 178.287 176.300 -0.202 0.000 1.063 222 M CA 1.748 56.916 55.300 -0.219 0.000 1.110 222 M CB -0.712 31.867 32.600 -0.035 0.000 1.374 222 M HN 0.292 nan 8.290 nan 0.000 0.411 223 Q N -1.011 118.717 119.800 -0.121 0.000 2.119 223 Q HA -0.128 4.212 4.340 -0.000 0.000 0.201 223 Q C 2.126 178.061 176.000 -0.108 0.000 0.972 223 Q CA 1.500 57.255 55.803 -0.080 0.000 0.847 223 Q CB -0.083 28.636 28.738 -0.032 0.000 0.903 223 Q HN 0.512 nan 8.270 nan 0.000 0.433 224 R N -0.153 120.250 120.500 -0.160 0.000 2.092 224 R HA -0.099 4.240 4.340 -0.000 0.000 0.231 224 R C 2.124 178.315 176.300 -0.181 0.000 1.119 224 R CA 0.767 56.786 56.100 -0.136 0.000 0.970 224 R CB -0.228 30.006 30.300 -0.110 0.000 0.864 224 R HN 0.160 nan 8.270 nan 0.000 0.440 225 L N 0.976 121.986 121.223 -0.354 0.000 2.141 225 L HA -0.081 4.259 4.340 -0.000 0.000 0.209 225 L C 2.292 179.094 176.870 -0.113 0.000 1.094 225 L CA 1.646 56.315 54.840 -0.284 0.000 0.763 225 L CB -0.310 41.472 42.059 -0.461 0.000 0.908 225 L HN -0.090 nan 8.230 nan 0.000 0.437 226 R N 0.109 120.546 120.500 -0.105 0.000 2.075 226 R HA -0.007 4.332 4.340 -0.000 0.000 0.232 226 R C 2.129 178.415 176.300 -0.024 0.000 1.126 226 R CA 1.666 57.741 56.100 -0.042 0.000 0.963 226 R CB -0.834 29.446 30.300 -0.033 0.000 0.858 226 R HN 0.412 nan 8.270 nan 0.000 0.435 227 A N 0.749 123.550 122.820 -0.031 0.000 1.898 227 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 227 A C 2.249 179.832 177.584 -0.003 0.000 1.181 227 A CA 1.411 53.437 52.037 -0.018 0.000 0.620 227 A CB -0.736 18.256 19.000 -0.014 0.000 0.819 227 A HN 0.436 nan 8.150 nan 0.000 0.442 228 L N -0.659 120.582 121.223 0.029 0.000 2.046 228 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 228 L C 2.482 179.442 176.870 0.150 0.000 1.077 228 L CA 1.927 56.838 54.840 0.118 0.000 0.747 228 L CB -0.366 41.770 42.059 0.129 0.000 0.896 228 L HN 0.479 nan 8.230 nan 0.000 0.432 229 C N 0.074 119.432 119.300 0.097 0.000 2.446 229 C HA -0.130 4.330 4.460 -0.000 0.000 0.277 229 C C 2.311 177.325 174.990 0.041 0.000 1.275 229 C CA 0.672 59.750 59.018 0.101 0.000 1.727 229 C CB -0.934 26.846 27.740 0.066 0.000 2.010 229 C HN 0.601 nan 8.230 nan 0.000 0.486 230 D N 0.452 120.850 120.400 -0.004 0.000 2.123 230 D HA -0.165 4.475 4.640 -0.000 0.000 0.196 230 D C 2.075 178.327 176.300 -0.080 0.000 0.992 230 D CA 1.401 55.377 54.000 -0.039 0.000 0.833 230 D CB -0.603 40.172 40.800 -0.042 0.000 0.954 230 D HN 0.684 nan 8.370 nan 0.000 0.455 231 E N -0.404 119.715 120.200 -0.135 0.000 2.268 231 E HA -0.179 4.170 4.350 -0.000 0.000 0.195 231 E C 0.897 177.243 176.600 -0.424 0.000 0.995 231 E CA 0.928 57.154 56.400 -0.290 0.000 0.836 231 E CB 0.140 29.610 29.700 -0.384 0.000 0.763 231 E HN 0.387 nan 8.360 nan 0.000 0.491 232 H N -1.560 117.481 119.070 -0.048 0.000 2.784 232 H HA 0.231 4.787 4.556 -0.000 0.000 0.273 232 H C 0.971 176.251 175.328 -0.079 0.000 1.112 232 H CA 0.541 56.530 56.048 -0.099 0.000 1.162 232 H CB 1.396 31.048 29.762 -0.183 0.000 1.586 232 H HN 0.325 nan 8.280 nan 0.000 0.548 233 G N 1.863 110.676 108.800 0.023 0.000 2.160 233 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.251 233 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.251 233 G C 0.198 175.109 174.900 0.018 0.000 1.008 233 G CA 0.209 45.310 45.100 0.002 0.000 0.724 233 G HN 0.338 nan 8.290 nan 0.000 0.514 234 I N 1.339 121.941 120.570 0.053 0.000 2.428 234 I HA 0.314 4.484 4.170 -0.000 0.000 0.289 234 I C 1.047 177.191 176.117 0.046 0.000 1.019 234 I CA -0.798 60.540 61.300 0.064 0.000 1.351 234 I CB 0.943 39.015 38.000 0.121 0.000 1.412 234 I HN -0.015 nan 8.210 nan 0.000 0.513 235 M N 6.519 126.141 119.600 0.037 0.000 2.200 235 M HA 0.189 4.669 4.480 -0.000 0.000 0.355 235 M C -0.519 175.809 176.300 0.048 0.000 1.283 235 M CA -0.578 54.737 55.300 0.025 0.000 1.124 235 M CB 0.654 33.262 32.600 0.014 0.000 1.625 235 M HN 0.300 nan 8.290 nan 0.000 0.463 236 L N 5.887 127.136 121.223 0.042 0.000 2.260 236 L HA 0.479 4.819 4.340 -0.000 0.000 0.289 236 L C -0.863 176.040 176.870 0.055 0.000 1.057 236 L CA 0.177 55.053 54.840 0.060 0.000 0.811 236 L CB 0.143 42.231 42.059 0.048 0.000 1.184 236 L HN 0.559 nan 8.230 nan 0.000 0.429 237 I N 5.581 126.189 120.570 0.064 0.000 2.330 237 I HA 0.480 4.650 4.170 -0.000 0.000 0.289 237 I C 0.094 176.247 176.117 0.062 0.000 1.001 237 I CA -0.572 60.755 61.300 0.046 0.000 1.193 237 I CB 1.557 39.571 38.000 0.023 0.000 1.345 237 I HN 0.764 nan 8.210 nan 0.000 0.461 238 A N 5.020 127.876 122.820 0.059 0.000 2.249 238 A HA 0.296 4.616 4.320 -0.000 0.000 0.314 238 A C -0.446 177.196 177.584 0.097 0.000 1.290 238 A CA -0.493 51.595 52.037 0.085 0.000 0.893 238 A CB 0.375 19.419 19.000 0.075 0.000 1.165 238 A HN 0.662 nan 8.150 nan 0.000 0.530 239 D N 2.646 123.126 120.400 0.133 0.000 2.393 239 D HA 0.138 4.778 4.640 -0.000 0.000 0.232 239 D C 0.205 176.611 176.300 0.176 0.000 1.192 239 D CA 0.202 54.295 54.000 0.156 0.000 0.882 239 D CB 0.568 41.521 40.800 0.254 0.000 1.038 239 D HN 0.586 nan 8.370 nan 0.000 0.499 240 E N 2.499 122.817 120.200 0.197 0.000 2.585 240 E HA 0.154 4.503 4.350 -0.000 0.000 0.206 240 E C 1.197 177.925 176.600 0.213 0.000 1.007 240 E CA -0.322 56.219 56.400 0.234 0.000 1.028 240 E CB 0.858 30.800 29.700 0.403 0.000 1.087 240 E HN 0.531 nan 8.360 nan 0.000 0.455 241 A N 1.054 123.975 122.820 0.169 0.000 1.917 241 A HA -0.287 4.033 4.320 -0.000 0.000 0.219 241 A C 2.114 179.757 177.584 0.099 0.000 1.182 241 A CA 1.771 53.891 52.037 0.137 0.000 0.633 241 A CB -0.152 18.918 19.000 0.116 0.000 0.819 241 A HN 0.263 nan 8.150 nan 0.000 0.448 242 Q N -0.875 118.971 119.800 0.078 0.000 2.324 242 Q HA -0.036 4.303 4.340 -0.000 0.000 0.207 242 Q C 2.070 178.054 176.000 -0.027 0.000 0.928 242 Q CA 1.110 56.932 55.803 0.032 0.000 0.890 242 Q CB 0.076 28.837 28.738 0.039 0.000 1.001 242 Q HN 0.719 nan 8.270 nan 0.000 0.517 243 S N -0.684 115.001 115.700 -0.025 0.000 2.489 243 S HA 0.130 4.600 4.470 -0.000 0.000 0.228 243 S C 1.090 175.646 174.600 -0.073 0.000 0.995 243 S CA 0.148 58.305 58.200 -0.072 0.000 0.934 243 S CB -0.050 63.127 63.200 -0.040 0.000 0.771 243 S HN 0.384 nan 8.310 nan 0.000 0.522 244 G N 0.270 109.046 108.800 -0.041 0.000 2.570 244 G HA2 0.459 4.419 3.960 -0.000 0.000 0.276 244 G HA3 0.459 4.419 3.960 -0.000 0.000 0.276 244 G C 0.624 175.290 174.900 -0.389 0.000 1.346 244 G CA -0.406 44.547 45.100 -0.245 0.000 1.034 244 G HN 1.359 nan 8.290 nan 0.000 0.512 245 A N -2.410 119.973 122.820 -0.728 0.000 2.745 245 A HA 0.242 4.562 4.320 -0.000 0.000 0.296 245 A C 2.107 179.394 177.584 -0.494 0.000 1.500 245 A CA 1.880 53.545 52.037 -0.619 0.000 0.766 245 A CB -1.477 17.350 19.000 -0.288 0.000 1.030 245 A HN 2.992 nan 8.150 nan 0.000 0.489 246 G N -1.628 106.875 108.800 -0.495 0.000 2.205 246 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.261 246 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.261 246 G C 0.898 175.789 174.900 -0.016 0.000 0.980 246 G CA 1.305 46.299 45.100 -0.176 0.000 0.632 246 G HN 1.511 nan 8.290 nan 0.000 0.533 247 R N 1.079 121.541 120.500 -0.062 0.000 2.133 247 R HA -0.085 4.255 4.340 -0.000 0.000 0.247 247 R C 2.830 179.089 176.300 -0.068 0.000 1.151 247 R CA 2.847 58.914 56.100 -0.054 0.000 0.971 247 R CB -0.764 29.479 30.300 -0.096 0.000 0.866 247 R HN 0.763 nan 8.270 nan 0.000 0.447 248 T N -4.407 110.098 114.554 -0.082 0.000 3.107 248 T HA 0.310 4.660 4.350 -0.000 0.000 0.249 248 T C 1.245 175.924 174.700 -0.034 0.000 1.096 248 T CA 0.424 62.485 62.100 -0.066 0.000 1.012 248 T CB 0.608 69.437 68.868 -0.064 0.000 0.977 248 T HN 0.389 nan 8.240 nan 0.000 0.527 249 G N 1.050 109.838 108.800 -0.021 0.000 2.238 249 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.217 249 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.217 249 G C 0.263 175.160 174.900 -0.005 0.000 0.996 249 G CA 0.069 45.167 45.100 -0.003 0.000 0.632 249 G HN 1.181 nan 8.290 nan 0.000 0.503 250 T N -1.619 112.917 114.554 -0.031 0.000 2.916 250 T HA 0.685 5.035 4.350 -0.000 0.000 0.292 250 T C 1.162 175.787 174.700 -0.124 0.000 1.055 250 T CA 0.007 62.082 62.100 -0.042 0.000 1.009 250 T CB 2.226 71.087 68.868 -0.012 0.000 1.118 250 T HN 0.765 nan 8.240 nan 0.000 0.497 251 L N 0.111 121.232 121.223 -0.169 0.000 1.990 251 L HA 0.234 4.574 4.340 -0.000 0.000 0.213 251 L C -0.114 176.393 176.870 -0.606 0.000 1.072 251 L CA 1.815 56.410 54.840 -0.409 0.000 0.755 251 L CB -0.628 41.241 42.059 -0.316 0.000 0.889 251 L HN 0.719 nan 8.230 nan 0.000 0.432 252 F N -2.483 117.399 119.950 -0.112 0.000 2.546 252 F HA 0.505 5.032 4.527 -0.000 0.000 0.320 252 F C 1.115 176.887 175.800 -0.047 0.000 1.076 252 F CA -0.316 57.640 58.000 -0.073 0.000 0.928 252 F CB 1.254 40.218 39.000 -0.061 0.000 1.189 252 F HN -0.130 nan 8.300 nan 0.000 0.465 253 A N 2.476 125.374 122.820 0.130 0.000 1.972 253 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 253 A C 2.102 179.736 177.584 0.084 0.000 1.169 253 A CA 1.373 53.453 52.037 0.071 0.000 0.635 253 A CB -0.470 18.560 19.000 0.050 0.000 0.810 253 A HN 0.733 nan 8.150 nan 0.000 0.446 254 M N -0.196 119.471 119.600 0.113 0.000 2.267 254 M HA -0.169 4.311 4.480 -0.000 0.000 0.263 254 M C 1.715 178.046 176.300 0.052 0.000 1.063 254 M CA 1.303 56.648 55.300 0.074 0.000 1.090 254 M CB -1.404 31.232 32.600 0.060 0.000 1.392 254 M HN 0.550 nan 8.290 nan 0.000 0.422 255 E N -0.026 120.210 120.200 0.061 0.000 2.160 255 E HA -0.220 4.130 4.350 -0.000 0.000 0.195 255 E C 1.703 178.318 176.600 0.026 0.000 0.991 255 E CA 0.978 57.399 56.400 0.034 0.000 0.810 255 E CB -0.124 29.599 29.700 0.038 0.000 0.742 255 E HN 0.644 nan 8.360 nan 0.000 0.466 256 Q N -0.689 119.130 119.800 0.031 0.000 2.403 256 Q HA 0.068 4.407 4.340 -0.000 0.000 0.203 256 Q C 1.372 177.390 176.000 0.030 0.000 0.932 256 Q CA 0.190 56.008 55.803 0.026 0.000 0.945 256 Q CB 0.387 29.140 28.738 0.025 0.000 1.045 256 Q HN 0.234 nan 8.270 nan 0.000 0.511 257 M N -1.597 118.022 119.600 0.033 0.000 2.509 257 M HA 0.174 4.653 4.480 -0.000 0.000 0.250 257 M C 1.238 177.551 176.300 0.022 0.000 1.132 257 M CA 0.818 56.137 55.300 0.032 0.000 1.080 257 M CB 0.069 32.690 32.600 0.035 0.000 1.408 257 M HN 0.347 nan 8.290 nan 0.000 0.484 258 G N 1.367 110.178 108.800 0.018 0.000 2.179 258 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.260 258 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.260 258 G C 0.166 175.073 174.900 0.012 0.000 0.977 258 G CA 0.363 45.471 45.100 0.013 0.000 0.641 258 G HN 0.560 nan 8.290 nan 0.000 0.533 259 V N -3.637 116.286 119.914 0.015 0.000 3.147 259 V HA 0.976 5.096 4.120 -0.000 0.000 0.306 259 V C -0.031 176.083 176.094 0.032 0.000 1.209 259 V CA -0.740 61.574 62.300 0.023 0.000 1.023 259 V CB 1.588 33.418 31.823 0.012 0.000 1.059 259 V HN 1.809 nan 8.190 nan 0.000 0.435 260 A N 3.191 126.050 122.820 0.064 0.000 2.317 260 A HA 0.998 5.318 4.320 -0.000 0.000 0.327 260 A C -2.391 175.267 177.584 0.123 0.000 1.178 260 A CA -1.773 50.316 52.037 0.087 0.000 0.817 260 A CB 1.062 20.131 19.000 0.116 0.000 1.189 260 A HN 0.832 nan 8.150 nan 0.000 0.489 261 P HA 0.266 nan 4.420 nan 0.000 0.278 261 P C -0.497 176.885 177.300 0.136 0.000 1.266 261 P CA -0.269 62.883 63.100 0.085 0.000 0.807 261 P CB 1.188 32.919 31.700 0.052 0.000 1.094 262 D N -0.552 119.894 120.400 0.076 0.000 2.240 262 D HA 0.123 4.763 4.640 -0.000 0.000 0.206 262 D C 0.479 176.817 176.300 0.063 0.000 0.963 262 D CA 1.124 55.152 54.000 0.046 0.000 0.863 262 D CB 0.396 41.186 40.800 -0.016 0.000 0.973 262 D HN 0.242 nan 8.370 nan 0.000 0.501 263 L N -0.139 121.112 121.223 0.046 0.000 2.422 263 L HA 0.351 4.691 4.340 -0.000 0.000 0.264 263 L C -0.722 176.157 176.870 0.016 0.000 0.984 263 L CA -0.372 54.485 54.840 0.029 0.000 0.819 263 L CB 2.818 44.885 42.059 0.014 0.000 1.330 263 L HN -0.341 nan 8.230 nan 0.000 0.410 264 T N 0.157 114.711 114.554 -0.001 0.000 2.881 264 T HA 0.528 4.878 4.350 -0.000 0.000 0.290 264 T C -0.430 174.288 174.700 0.029 0.000 1.000 264 T CA -0.616 61.476 62.100 -0.013 0.000 0.978 264 T CB 1.806 70.586 68.868 -0.146 0.000 0.997 264 T HN 0.665 nan 8.240 nan 0.000 0.443 265 T N 1.012 115.593 114.554 0.045 0.000 2.859 265 T HA 0.833 5.183 4.350 -0.000 0.000 0.281 265 T C -0.546 174.233 174.700 0.132 0.000 1.005 265 T CA -0.827 61.262 62.100 -0.020 0.000 1.025 265 T CB 0.476 69.323 68.868 -0.035 0.000 0.977 265 T HN 0.496 nan 8.240 nan 0.000 0.458 266 F N 0.135 120.144 119.950 0.099 0.000 2.603 266 F HA 0.997 5.524 4.527 -0.000 0.000 0.317 266 F C -0.263 175.596 175.800 0.097 0.000 1.066 266 F CA -1.163 56.943 58.000 0.177 0.000 0.941 266 F CB 1.164 40.352 39.000 0.314 0.000 1.291 266 F HN 0.996 nan 8.300 nan 0.000 0.472 267 A N 0.900 123.877 122.820 0.262 0.000 4.989 267 A HA 0.597 4.916 4.320 -0.000 0.000 0.238 267 A C 0.176 177.845 177.584 0.142 0.000 0.962 267 A CA -0.265 51.857 52.037 0.141 0.000 0.608 267 A CB -0.312 18.718 19.000 0.050 0.000 1.893 267 A HN 0.888 nan 8.150 nan 0.000 0.923 268 K N -1.053 119.402 120.400 0.092 0.000 2.026 268 K HA -0.294 4.026 4.320 -0.000 0.000 0.145 268 K C 1.524 178.168 176.600 0.073 0.000 0.872 268 K CA 2.166 58.494 56.287 0.068 0.000 0.349 268 K CB -1.606 30.926 32.500 0.053 0.000 0.715 268 K HN 0.536 nan 8.250 nan 0.000 0.815 269 S N 0.577 116.311 115.700 0.057 0.000 2.500 269 S HA -0.099 4.371 4.470 -0.000 0.000 0.239 269 S C 1.677 176.322 174.600 0.075 0.000 0.989 269 S CA 1.040 59.278 58.200 0.063 0.000 0.951 269 S CB -0.249 62.986 63.200 0.058 0.000 0.759 269 S HN 0.345 nan 8.310 nan 0.000 0.523 270 I N 1.839 122.455 120.570 0.077 0.000 2.194 270 I HA -0.180 3.990 4.170 -0.000 0.000 0.246 270 I C 1.838 178.008 176.117 0.089 0.000 1.093 270 I CA 1.457 62.795 61.300 0.062 0.000 1.355 270 I CB -0.311 37.809 38.000 0.200 0.000 1.046 270 I HN 0.230 nan 8.210 nan 0.000 0.413 271 A N -0.551 122.351 122.820 0.138 0.000 2.465 271 A HA 0.515 4.835 4.320 -0.000 0.000 0.255 271 A C 1.582 179.320 177.584 0.256 0.000 1.274 271 A CA 0.284 52.424 52.037 0.172 0.000 0.920 271 A CB -0.974 18.147 19.000 0.202 0.000 1.033 271 A HN 0.743 nan 8.150 nan 0.000 0.516 272 G N -0.810 108.103 108.800 0.188 0.000 2.390 272 G HA2 0.140 4.099 3.960 -0.000 0.000 0.299 272 G HA3 0.140 4.099 3.960 -0.000 0.000 0.299 272 G C 1.273 176.283 174.900 0.183 0.000 1.002 272 G CA 0.938 46.147 45.100 0.180 0.000 0.979 272 G HN 2.113 nan 8.290 nan 0.000 0.513 273 G N -2.776 106.072 108.800 0.079 0.000 2.148 273 G HA2 0.065 4.025 3.960 -0.000 0.000 0.157 273 G HA3 0.065 4.025 3.960 -0.000 0.000 0.157 273 G C -0.037 174.554 174.900 -0.515 0.000 1.012 273 G CA -0.005 44.981 45.100 -0.191 0.000 0.677 273 G HN 1.159 nan 8.290 nan 0.000 0.506 274 F N -0.098 119.868 119.950 0.026 0.000 2.565 274 F HA 0.577 5.104 4.527 -0.000 0.000 0.313 274 F C -2.297 173.517 175.800 0.023 0.000 1.091 274 F CA -2.664 55.350 58.000 0.023 0.000 0.915 274 F CB 2.098 41.115 39.000 0.028 0.000 1.208 274 F HN -0.191 nan 8.300 nan 0.000 0.453 275 P HA 0.212 nan 4.420 nan 0.000 0.258 275 P C -1.136 176.231 177.300 0.112 0.000 1.214 275 P CA 0.435 63.591 63.100 0.092 0.000 0.872 275 P CB 0.282 32.006 31.700 0.040 0.000 0.890 276 L N 3.180 124.464 121.223 0.101 0.000 2.592 276 L HA 0.774 5.114 4.340 -0.000 0.000 0.258 276 L C -1.491 175.411 176.870 0.054 0.000 0.926 276 L CA -0.513 54.380 54.840 0.088 0.000 0.885 276 L CB 1.861 43.993 42.059 0.122 0.000 1.380 276 L HN 0.381 nan 8.230 nan 0.000 0.415 277 A N 2.040 124.840 122.820 -0.033 0.000 2.588 277 A HA 1.053 5.373 4.320 -0.000 0.000 0.290 277 A C -0.666 176.627 177.584 -0.485 0.000 1.136 277 A CA -0.076 51.840 52.037 -0.202 0.000 0.681 277 A CB 1.545 20.456 19.000 -0.149 0.000 1.282 277 A HN 1.511 nan 8.150 nan 0.000 0.421 278 G N -1.821 106.348 108.800 -1.053 0.000 2.495 278 G HA2 0.625 4.585 3.960 -0.000 0.000 0.294 278 G HA3 0.625 4.585 3.960 -0.000 0.000 0.294 278 G C -2.068 172.246 174.900 -0.976 0.000 1.397 278 G CA -0.004 44.444 45.100 -1.087 0.000 0.790 278 G HN 1.464 nan 8.290 nan 0.000 0.486 279 V N 0.328 120.007 119.914 -0.393 0.000 2.525 279 V HA 0.683 4.803 4.120 -0.000 0.000 0.299 279 V C -0.339 175.791 176.094 0.060 0.000 1.034 279 V CA -0.609 61.612 62.300 -0.131 0.000 0.863 279 V CB 1.668 33.437 31.823 -0.090 0.000 0.999 279 V HN 0.830 nan 8.190 nan 0.000 0.423 280 T N 3.448 118.081 114.554 0.131 0.000 2.807 280 T HA 0.846 5.196 4.350 -0.000 0.000 0.279 280 T C 0.213 174.938 174.700 0.041 0.000 0.993 280 T CA -0.265 61.892 62.100 0.095 0.000 0.970 280 T CB 1.722 70.623 68.868 0.055 0.000 0.950 280 T HN 1.132 nan 8.240 nan 0.000 0.441 281 G N 1.335 110.168 108.800 0.056 0.000 2.608 281 G HA2 0.521 4.481 3.960 -0.000 0.000 0.291 281 G HA3 0.521 4.481 3.960 -0.000 0.000 0.291 281 G C -1.172 173.807 174.900 0.131 0.000 1.425 281 G CA -1.100 44.053 45.100 0.087 0.000 0.787 281 G HN 0.705 nan 8.290 nan 0.000 0.484 282 R N 0.275 120.874 120.500 0.164 0.000 2.486 282 R HA 0.140 4.480 4.340 -0.000 0.000 0.304 282 R C 1.743 178.071 176.300 0.048 0.000 0.913 282 R CA 0.796 56.950 56.100 0.090 0.000 1.124 282 R CB 0.330 30.512 30.300 -0.197 0.000 0.891 282 R HN 0.721 nan 8.270 nan 0.000 0.410 283 A N 5.158 128.025 122.820 0.078 0.000 1.892 283 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 283 A C 1.815 179.408 177.584 0.014 0.000 1.188 283 A CA 1.897 53.963 52.037 0.047 0.000 0.631 283 A CB -0.431 18.604 19.000 0.057 0.000 0.822 283 A HN 0.934 nan 8.150 nan 0.000 0.447 284 E N 0.208 120.403 120.200 -0.008 0.000 2.204 284 E HA -0.099 4.251 4.350 -0.000 0.000 0.194 284 E C 1.900 178.486 176.600 -0.024 0.000 0.989 284 E CA 1.464 57.853 56.400 -0.019 0.000 0.824 284 E CB -0.944 28.737 29.700 -0.033 0.000 0.756 284 E HN 0.362 nan 8.360 nan 0.000 0.477 285 V N 1.606 121.501 119.914 -0.031 0.000 2.283 285 V HA -0.216 3.904 4.120 -0.000 0.000 0.243 285 V C 2.643 178.730 176.094 -0.012 0.000 1.039 285 V CA 1.779 64.062 62.300 -0.028 0.000 1.016 285 V CB -0.450 31.351 31.823 -0.038 0.000 0.650 285 V HN 0.204 nan 8.190 nan 0.000 0.449 286 M N -0.270 119.330 119.600 0.000 0.000 2.149 286 M HA -0.177 4.303 4.480 -0.000 0.000 0.261 286 M C 1.609 177.914 176.300 0.007 0.000 1.064 286 M CA 1.576 56.882 55.300 0.009 0.000 1.102 286 M CB -1.206 31.408 32.600 0.023 0.000 1.369 286 M HN 0.312 nan 8.290 nan 0.000 0.408 287 D N 0.061 120.464 120.400 0.006 0.000 2.349 287 D HA 0.166 4.806 4.640 -0.000 0.000 0.224 287 D C 1.699 177.998 176.300 -0.002 0.000 1.029 287 D CA 0.328 54.332 54.000 0.005 0.000 0.879 287 D CB 0.101 40.905 40.800 0.007 0.000 0.906 287 D HN 0.253 nan 8.370 nan 0.000 0.528 288 A N -0.076 122.740 122.820 -0.007 0.000 2.067 288 A HA -0.040 4.280 4.320 -0.000 0.000 0.219 288 A C 1.208 178.786 177.584 -0.009 0.000 1.158 288 A CA 0.449 52.479 52.037 -0.011 0.000 0.661 288 A CB 0.095 19.086 19.000 -0.015 0.000 0.801 288 A HN 0.071 nan 8.150 nan 0.000 0.452 289 V N 0.646 120.555 119.914 -0.007 0.000 2.498 289 V HA 0.489 4.609 4.120 -0.000 0.000 0.279 289 V C 0.809 176.901 176.094 -0.003 0.000 1.048 289 V CA -0.552 61.743 62.300 -0.007 0.000 0.967 289 V CB 0.715 32.534 31.823 -0.007 0.000 0.988 289 V HN 0.486 nan 8.190 nan 0.000 0.473 290 A N 8.073 130.890 122.820 -0.005 0.000 2.407 290 A HA 0.546 4.866 4.320 -0.000 0.000 0.248 290 A C -1.915 175.669 177.584 -0.000 0.000 1.082 290 A CA -1.114 50.921 52.037 -0.003 0.000 0.785 290 A CB -0.369 18.627 19.000 -0.005 0.000 1.020 290 A HN 0.721 nan 8.150 nan 0.000 0.489 291 P HA 0.138 nan 4.420 nan 0.000 0.264 291 P C 0.957 178.258 177.300 0.001 0.000 1.179 291 P CA 1.597 64.698 63.100 0.002 0.000 0.763 291 P CB 0.456 32.155 31.700 -0.002 0.000 0.806 292 G N 2.030 110.833 108.800 0.005 0.000 2.225 292 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.254 292 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.254 292 G C 1.123 176.026 174.900 0.004 0.000 0.988 292 G CA 0.328 45.430 45.100 0.003 0.000 0.625 292 G HN 0.803 nan 8.290 nan 0.000 0.527 293 G N -0.278 108.524 108.800 0.003 0.000 2.551 293 G HA2 0.451 4.410 3.960 -0.000 0.000 0.216 293 G HA3 0.451 4.410 3.960 -0.000 0.000 0.216 293 G C 0.689 175.591 174.900 0.002 0.000 1.137 293 G CA 0.680 45.780 45.100 -0.001 0.000 0.798 293 G HN 0.575 nan 8.290 nan 0.000 0.536 294 L N -0.193 121.038 121.223 0.013 0.000 2.334 294 L HA 0.778 5.118 4.340 -0.000 0.000 0.273 294 L C 0.526 177.419 176.870 0.038 0.000 1.013 294 L CA -0.337 54.516 54.840 0.021 0.000 0.816 294 L CB 2.207 44.282 42.059 0.027 0.000 1.278 294 L HN 0.234 nan 8.230 nan 0.000 0.431 295 G N 0.572 109.398 108.800 0.044 0.000 2.356 295 G HA2 0.578 4.537 3.960 -0.000 0.000 0.281 295 G HA3 0.578 4.537 3.960 -0.000 0.000 0.281 295 G C -0.994 173.946 174.900 0.066 0.000 1.246 295 G CA 0.058 45.196 45.100 0.064 0.000 0.889 295 G HN 1.012 nan 8.290 nan 0.000 0.486 296 G N -2.453 106.390 108.800 0.071 0.000 2.307 296 G HA2 0.504 4.464 3.960 -0.000 0.000 0.348 296 G HA3 0.504 4.464 3.960 -0.000 0.000 0.348 296 G C 0.398 175.348 174.900 0.083 0.000 1.603 296 G CA 0.732 45.869 45.100 0.062 0.000 0.961 296 G HN 1.227 nan 8.290 nan 0.000 0.686 297 T N 0.673 115.231 114.554 0.006 0.000 2.643 297 T HA -0.093 4.257 4.350 -0.000 0.000 0.264 297 T C 1.863 176.683 174.700 0.200 0.000 1.045 297 T CA 2.429 64.528 62.100 -0.002 0.000 1.155 297 T CB -0.242 68.445 68.868 -0.302 0.000 0.863 297 T HN 0.486 nan 8.240 nan 0.000 0.420 298 Y N 1.479 121.918 120.300 0.232 0.000 2.544 298 Y HA 0.551 5.101 4.550 -0.000 0.000 0.286 298 Y C 1.542 177.594 175.900 0.254 0.000 1.141 298 Y CA -1.226 57.032 58.100 0.263 0.000 1.299 298 Y CB -1.094 37.462 38.460 0.159 0.000 1.030 298 Y HN 0.132 nan 8.280 nan 0.000 0.543 299 A N 1.016 124.045 122.820 0.349 0.000 2.608 299 A HA 0.256 4.575 4.320 -0.000 0.000 0.246 299 A C 1.558 179.352 177.584 0.350 0.000 0.998 299 A CA 0.985 53.190 52.037 0.280 0.000 0.796 299 A CB -0.983 18.163 19.000 0.243 0.000 0.895 299 A HN 1.013 nan 8.150 nan 0.000 0.508 300 G N 2.778 111.685 108.800 0.178 0.000 2.372 300 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.297 300 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.297 300 G C 0.174 175.300 174.900 0.378 0.000 1.005 300 G CA 0.325 45.487 45.100 0.104 0.000 1.173 300 G HN 1.360 nan 8.290 nan 0.000 0.511 301 N N 0.823 119.687 118.700 0.274 0.000 2.454 301 N HA 0.100 4.840 4.740 -0.000 0.000 0.260 301 N C -0.360 175.240 175.510 0.149 0.000 1.218 301 N CA -0.732 52.461 53.050 0.237 0.000 0.904 301 N CB 0.994 39.582 38.487 0.167 0.000 1.065 301 N HN 0.079 nan 8.380 nan 0.000 0.462 302 P HA -0.181 nan 4.420 nan 0.000 0.216 302 P C 1.462 178.741 177.300 -0.036 0.000 1.167 302 P CA 1.239 64.267 63.100 -0.121 0.000 0.914 302 P CB 0.173 31.665 31.700 -0.347 0.000 0.793 303 I N -0.450 120.094 120.570 -0.044 0.000 2.163 303 I HA -0.249 3.920 4.170 -0.000 0.000 0.243 303 I C 2.353 178.387 176.117 -0.138 0.000 1.085 303 I CA 1.861 63.109 61.300 -0.087 0.000 1.347 303 I CB -1.495 36.478 38.000 -0.045 0.000 1.044 303 I HN -0.117 nan 8.210 nan 0.000 0.408 304 A N -0.953 121.850 122.820 -0.027 0.000 1.969 304 A HA -0.205 4.114 4.320 -0.000 0.000 0.218 304 A C 2.452 180.034 177.584 -0.003 0.000 1.169 304 A CA 1.733 53.775 52.037 0.007 0.000 0.635 304 A CB -1.265 17.812 19.000 0.129 0.000 0.810 304 A HN 0.548 nan 8.150 nan 0.000 0.445 305 C N -0.914 118.402 119.300 0.026 0.000 2.453 305 C HA -0.069 4.391 4.460 -0.000 0.000 0.277 305 C C 2.869 177.859 174.990 -0.001 0.000 1.262 305 C CA 1.158 60.198 59.018 0.037 0.000 1.718 305 C CB -1.259 26.550 27.740 0.115 0.000 2.031 305 C HN 0.677 nan 8.230 nan 0.000 0.480 306 V N 0.911 120.811 119.914 -0.024 0.000 2.490 306 V HA -0.075 4.045 4.120 -0.000 0.000 0.250 306 V C 2.429 178.470 176.094 -0.089 0.000 1.061 306 V CA 2.172 64.445 62.300 -0.044 0.000 1.064 306 V CB -1.483 30.310 31.823 -0.050 0.000 0.670 306 V HN 0.425 nan 8.190 nan 0.000 0.461 307 A N 0.921 123.641 122.820 -0.167 0.000 1.877 307 A HA 0.047 4.366 4.320 -0.000 0.000 0.216 307 A C 2.546 180.092 177.584 -0.062 0.000 1.186 307 A CA 2.537 54.452 52.037 -0.203 0.000 0.620 307 A CB -1.186 17.546 19.000 -0.446 0.000 0.822 307 A HN 0.993 nan 8.150 nan 0.000 0.443 308 A N -0.293 122.512 122.820 -0.024 0.000 1.902 308 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 308 A C 2.167 179.738 177.584 -0.022 0.000 1.181 308 A CA 1.524 53.562 52.037 0.002 0.000 0.623 308 A CB -0.649 18.362 19.000 0.019 0.000 0.818 308 A HN 0.474 nan 8.150 nan 0.000 0.443 309 L N -1.045 120.163 121.223 -0.026 0.000 2.083 309 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 309 L C 2.626 179.482 176.870 -0.024 0.000 1.083 309 L CA 1.659 56.484 54.840 -0.025 0.000 0.752 309 L CB -0.359 41.693 42.059 -0.012 0.000 0.899 309 L HN 0.393 nan 8.230 nan 0.000 0.433 310 E N -0.201 119.981 120.200 -0.030 0.000 2.152 310 E HA -0.121 4.228 4.350 -0.000 0.000 0.192 310 E C 2.135 178.709 176.600 -0.043 0.000 0.983 310 E CA 0.716 57.094 56.400 -0.038 0.000 0.818 310 E CB -0.018 29.654 29.700 -0.048 0.000 0.758 310 E HN 0.153 nan 8.360 nan 0.000 0.467 311 V N 0.643 120.549 119.914 -0.013 0.000 2.343 311 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 311 V C 2.321 178.505 176.094 0.149 0.000 1.051 311 V CA 1.565 63.896 62.300 0.052 0.000 1.036 311 V CB -0.435 31.447 31.823 0.099 0.000 0.654 311 V HN 0.302 nan 8.190 nan 0.000 0.451 312 L N -0.586 120.665 121.223 0.046 0.000 2.046 312 L HA -0.199 4.140 4.340 -0.000 0.000 0.208 312 L C 2.593 179.498 176.870 0.059 0.000 1.077 312 L CA 1.737 56.587 54.840 0.016 0.000 0.747 312 L CB -0.659 41.362 42.059 -0.063 0.000 0.896 312 L HN 0.274 nan 8.230 nan 0.000 0.432 313 K N -0.330 120.082 120.400 0.021 0.000 2.057 313 K HA -0.138 4.182 4.320 -0.000 0.000 0.207 313 K C 2.051 178.658 176.600 0.012 0.000 1.049 313 K CA 1.185 57.479 56.287 0.012 0.000 0.931 313 K CB -0.313 32.183 32.500 -0.007 0.000 0.714 313 K HN 0.100 nan 8.250 nan 0.000 0.440 314 V N 0.912 120.809 119.914 -0.028 0.000 2.407 314 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 314 V C 1.924 177.975 176.094 -0.071 0.000 1.055 314 V CA 1.640 63.869 62.300 -0.117 0.000 1.049 314 V CB -0.514 31.088 31.823 -0.369 0.000 0.662 314 V HN 0.173 nan 8.190 nan 0.000 0.455 315 F N 0.080 119.970 119.950 -0.100 0.000 2.171 315 F HA -0.126 4.401 4.527 -0.000 0.000 0.300 315 F C 2.518 178.284 175.800 -0.056 0.000 1.090 315 F CA 1.559 59.513 58.000 -0.078 0.000 1.293 315 F CB -0.087 38.859 39.000 -0.091 0.000 1.013 315 F HN 0.156 nan 8.300 nan 0.000 0.486 316 E N -0.013 120.263 120.200 0.128 0.000 2.033 316 E HA -0.149 4.200 4.350 -0.000 0.000 0.189 316 E C 2.188 178.805 176.600 0.029 0.000 0.979 316 E CA 0.991 57.429 56.400 0.064 0.000 0.802 316 E CB -0.689 29.035 29.700 0.041 0.000 0.763 316 E HN 0.499 nan 8.360 nan 0.000 0.449 317 Q N 0.477 120.287 119.800 0.017 0.000 2.135 317 Q HA -0.134 4.205 4.340 -0.000 0.000 0.204 317 Q C 1.355 177.355 176.000 0.001 0.000 0.981 317 Q CA 1.176 56.984 55.803 0.008 0.000 0.856 317 Q CB -0.045 28.698 28.738 0.009 0.000 0.902 317 Q HN 0.327 nan 8.270 nan 0.000 0.425 318 E N 0.145 120.335 120.200 -0.018 0.000 2.476 318 E HA 0.061 4.411 4.350 -0.000 0.000 0.196 318 E C -0.335 176.238 176.600 -0.044 0.000 1.029 318 E CA -0.308 56.075 56.400 -0.030 0.000 0.896 318 E CB 0.084 29.762 29.700 -0.037 0.000 1.012 318 E HN 0.307 nan 8.360 nan 0.000 0.475 319 N N 1.236 119.921 118.700 -0.026 0.000 2.735 319 N HA -0.202 4.538 4.740 -0.000 0.000 0.248 319 N C 0.701 176.189 175.510 -0.036 0.000 1.083 319 N CA -0.268 52.774 53.050 -0.013 0.000 0.703 319 N CB -0.747 37.735 38.487 -0.009 0.000 1.005 319 N HN 0.253 nan 8.380 nan 0.000 0.550 320 L N -0.001 121.165 121.223 -0.095 0.000 2.141 320 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 320 L C 2.401 179.266 176.870 -0.009 0.000 1.094 320 L CA 0.977 55.708 54.840 -0.182 0.000 0.763 320 L CB -0.322 41.332 42.059 -0.675 0.000 0.908 320 L HN 0.376 nan 8.230 nan 0.000 0.437 321 L N -0.416 120.885 121.223 0.130 0.000 2.046 321 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 321 L C 2.723 179.621 176.870 0.046 0.000 1.077 321 L CA 1.207 56.122 54.840 0.125 0.000 0.747 321 L CB -0.480 41.643 42.059 0.106 0.000 0.896 321 L HN 0.298 nan 8.230 nan 0.000 0.432 322 Q N 0.797 120.613 119.800 0.027 0.000 2.079 322 Q HA -0.186 4.153 4.340 -0.000 0.000 0.200 322 Q C 2.058 178.056 176.000 -0.003 0.000 0.974 322 Q CA 1.690 57.499 55.803 0.009 0.000 0.840 322 Q CB -0.025 28.717 28.738 0.006 0.000 0.898 322 Q HN 0.293 nan 8.270 nan 0.000 0.430 323 K N -0.432 119.958 120.400 -0.017 0.000 2.147 323 K HA -0.048 4.272 4.320 -0.000 0.000 0.205 323 K C 2.011 178.593 176.600 -0.030 0.000 1.049 323 K CA 0.974 57.242 56.287 -0.031 0.000 0.936 323 K CB -0.235 32.232 32.500 -0.055 0.000 0.722 323 K HN 0.284 nan 8.250 nan 0.000 0.446 324 A N 2.059 124.866 122.820 -0.022 0.000 1.908 324 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 324 A C 1.806 179.381 177.584 -0.015 0.000 1.181 324 A CA 1.676 53.702 52.037 -0.018 0.000 0.627 324 A CB -0.455 18.550 19.000 0.009 0.000 0.818 324 A HN 0.235 nan 8.150 nan 0.000 0.445 325 N N 0.499 119.196 118.700 -0.006 0.000 2.142 325 N HA -0.122 4.617 4.740 -0.000 0.000 0.186 325 N C 1.173 176.680 175.510 -0.005 0.000 1.023 325 N CA 1.530 54.578 53.050 -0.003 0.000 0.852 325 N CB -0.468 38.020 38.487 0.002 0.000 0.998 325 N HN 0.453 nan 8.380 nan 0.000 0.424 326 D N 0.972 121.368 120.400 -0.007 0.000 2.084 326 D HA -0.124 4.516 4.640 -0.000 0.000 0.194 326 D C 2.103 178.397 176.300 -0.010 0.000 0.990 326 D CA 0.478 54.474 54.000 -0.006 0.000 0.826 326 D CB -0.441 40.354 40.800 -0.008 0.000 0.971 326 D HN 0.125 nan 8.370 nan 0.000 0.453 327 L N 1.120 122.331 121.223 -0.021 0.000 2.042 327 L HA -0.048 4.292 4.340 -0.000 0.000 0.210 327 L C 2.167 179.022 176.870 -0.025 0.000 1.076 327 L CA 2.318 57.139 54.840 -0.031 0.000 0.749 327 L CB -1.030 40.995 42.059 -0.056 0.000 0.893 327 L HN 0.055 nan 8.230 nan 0.000 0.432 328 G N -1.484 107.304 108.800 -0.019 0.000 2.422 328 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.218 328 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.218 328 G C 1.513 176.415 174.900 0.003 0.000 1.146 328 G CA 0.844 45.939 45.100 -0.008 0.000 0.769 328 G HN 0.478 nan 8.290 nan 0.000 0.547 329 Q N 0.559 120.361 119.800 0.004 0.000 2.079 329 Q HA 0.041 4.381 4.340 -0.000 0.000 0.200 329 Q C 2.511 178.518 176.000 0.011 0.000 0.974 329 Q CA 1.470 57.279 55.803 0.009 0.000 0.840 329 Q CB -0.202 28.541 28.738 0.008 0.000 0.898 329 Q HN 0.475 nan 8.270 nan 0.000 0.430 330 K N -0.316 120.090 120.400 0.009 0.000 2.057 330 K HA -0.112 4.208 4.320 -0.000 0.000 0.207 330 K C 2.124 178.737 176.600 0.022 0.000 1.049 330 K CA 1.335 57.630 56.287 0.014 0.000 0.931 330 K CB -0.234 32.274 32.500 0.013 0.000 0.714 330 K HN 0.215 nan 8.250 nan 0.000 0.440 331 L N 1.250 122.484 121.223 0.019 0.000 2.017 331 L HA -0.216 4.123 4.340 -0.000 0.000 0.208 331 L C 2.366 179.254 176.870 0.030 0.000 1.073 331 L CA 1.463 56.321 54.840 0.031 0.000 0.745 331 L CB -0.354 41.715 42.059 0.018 0.000 0.894 331 L HN 0.139 nan 8.230 nan 0.000 0.432 332 K N -0.323 120.091 120.400 0.023 0.000 2.147 332 K HA -0.165 4.154 4.320 -0.000 0.000 0.205 332 K C 1.648 178.258 176.600 0.017 0.000 1.049 332 K CA 1.294 57.594 56.287 0.022 0.000 0.936 332 K CB -0.149 32.365 32.500 0.025 0.000 0.722 332 K HN 0.325 nan 8.250 nan 0.000 0.446 333 D N 0.065 120.475 120.400 0.017 0.000 2.103 333 D HA -0.083 4.556 4.640 -0.000 0.000 0.199 333 D C 1.988 178.295 176.300 0.012 0.000 0.978 333 D CA 1.220 55.228 54.000 0.014 0.000 0.829 333 D CB -0.452 40.357 40.800 0.014 0.000 0.981 333 D HN 0.294 nan 8.370 nan 0.000 0.464 334 G N 0.894 109.705 108.800 0.018 0.000 2.440 334 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.218 334 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.218 334 G C 1.780 176.682 174.900 0.003 0.000 1.154 334 G CA 0.382 45.493 45.100 0.019 0.000 0.767 334 G HN 0.244 nan 8.290 nan 0.000 0.552 335 L N -0.242 120.981 121.223 -0.000 0.000 2.156 335 L HA 0.120 4.460 4.340 -0.000 0.000 0.208 335 L C 2.751 179.591 176.870 -0.049 0.000 1.095 335 L CA 0.268 55.088 54.840 -0.034 0.000 0.770 335 L CB -0.267 41.781 42.059 -0.018 0.000 0.914 335 L HN 0.151 nan 8.230 nan 0.000 0.439 336 L N -0.497 120.714 121.223 -0.019 0.000 2.217 336 L HA -0.119 4.221 4.340 -0.000 0.000 0.211 336 L C 2.752 179.613 176.870 -0.015 0.000 1.107 336 L CA 0.766 55.598 54.840 -0.014 0.000 0.783 336 L CB -0.527 41.534 42.059 0.003 0.000 0.919 336 L HN 0.233 nan 8.230 nan 0.000 0.442 337 A N 0.243 123.056 122.820 -0.012 0.000 1.897 337 A HA -0.100 4.220 4.320 -0.000 0.000 0.215 337 A C 2.169 179.748 177.584 -0.009 0.000 1.181 337 A CA 1.064 53.097 52.037 -0.006 0.000 0.620 337 A CB -0.440 18.561 19.000 0.002 0.000 0.821 337 A HN 0.311 nan 8.150 nan 0.000 0.443 338 I N -0.042 120.511 120.570 -0.029 0.000 2.286 338 I HA -0.253 3.917 4.170 -0.000 0.000 0.248 338 I C 2.856 178.962 176.117 -0.019 0.000 1.115 338 I CA 1.007 62.289 61.300 -0.031 0.000 1.392 338 I CB -0.267 37.637 38.000 -0.160 0.000 1.065 338 I HN 0.338 nan 8.210 nan 0.000 0.418 339 A N 0.482 123.256 122.820 -0.077 0.000 2.070 339 A HA -0.189 4.130 4.320 -0.000 0.000 0.220 339 A C 2.021 179.597 177.584 -0.012 0.000 1.159 339 A CA 1.315 53.320 52.037 -0.053 0.000 0.656 339 A CB -0.579 18.392 19.000 -0.049 0.000 0.800 339 A HN 0.497 nan 8.150 nan 0.000 0.453 340 E N -0.399 119.792 120.200 -0.016 0.000 2.478 340 E HA -0.085 4.265 4.350 -0.000 0.000 0.198 340 E C 1.029 177.596 176.600 -0.054 0.000 1.046 340 E CA 0.771 57.158 56.400 -0.021 0.000 0.870 340 E CB -0.010 29.680 29.700 -0.015 0.000 0.818 340 E HN 0.613 nan 8.360 nan 0.000 0.527 341 K N -0.247 120.098 120.400 -0.092 0.000 2.440 341 K HA 0.145 4.465 4.320 -0.000 0.000 0.207 341 K C -0.076 176.206 176.600 -0.531 0.000 1.112 341 K CA 0.035 56.157 56.287 -0.276 0.000 1.036 341 K CB 0.961 33.276 32.500 -0.309 0.000 0.935 341 K HN 0.074 nan 8.250 nan 0.000 0.564 342 H N 0.454 119.506 119.070 -0.029 0.000 3.036 342 H HA 0.156 4.711 4.556 -0.000 0.000 0.295 342 H C -2.400 172.935 175.328 0.012 0.000 1.124 342 H CA -1.761 54.288 56.048 0.003 0.000 1.507 342 H CB 1.768 31.514 29.762 -0.026 0.000 1.591 342 H HN -0.150 nan 8.280 nan 0.000 0.510 343 P HA -0.176 nan 4.420 nan 0.000 0.218 343 P C 1.157 178.553 177.300 0.159 0.000 1.146 343 P CA 1.163 64.330 63.100 0.112 0.000 0.813 343 P CB 0.547 32.302 31.700 0.091 0.000 0.778 344 E N -0.528 119.785 120.200 0.188 0.000 2.209 344 E HA -0.109 4.241 4.350 -0.000 0.000 0.196 344 E C 0.699 177.398 176.600 0.164 0.000 0.993 344 E CA 0.577 57.099 56.400 0.203 0.000 0.819 344 E CB -0.795 29.041 29.700 0.227 0.000 0.745 344 E HN 0.336 nan 8.360 nan 0.000 0.477 345 I N 1.112 121.749 120.570 0.111 0.000 2.311 345 I HA 0.055 4.225 4.170 -0.000 0.000 0.297 345 I C 1.270 177.444 176.117 0.094 0.000 1.131 345 I CA -0.087 61.229 61.300 0.028 0.000 1.289 345 I CB 0.846 38.785 38.000 -0.101 0.000 1.446 345 I HN 0.064 nan 8.210 nan 0.000 0.524 346 G N 3.983 112.875 108.800 0.152 0.000 3.042 346 G HA2 0.027 3.987 3.960 -0.000 0.000 0.212 346 G HA3 0.027 3.987 3.960 -0.000 0.000 0.212 346 G C -0.058 174.982 174.900 0.233 0.000 1.166 346 G CA 0.185 45.486 45.100 0.334 0.000 0.767 346 G HN 0.580 nan 8.290 nan 0.000 0.546 347 D N -1.115 119.350 120.400 0.108 0.000 2.787 347 D HA 0.332 4.971 4.640 -0.000 0.000 0.215 347 D C -1.336 174.992 176.300 0.047 0.000 1.246 347 D CA -0.336 53.723 54.000 0.099 0.000 0.798 347 D CB 1.975 42.861 40.800 0.144 0.000 1.649 347 D HN -0.131 nan 8.370 nan 0.000 0.507 348 V N 4.297 124.244 119.914 0.055 0.000 2.380 348 V HA 0.604 4.724 4.120 -0.000 0.000 0.286 348 V C 0.009 176.139 176.094 0.060 0.000 1.015 348 V CA -0.601 61.723 62.300 0.039 0.000 0.834 348 V CB 1.054 32.892 31.823 0.025 0.000 1.009 348 V HN 0.581 nan 8.190 nan 0.000 0.428 349 R N 2.915 123.457 120.500 0.070 0.000 2.905 349 R HA 1.005 5.345 4.340 -0.000 0.000 0.260 349 R C -0.176 176.178 176.300 0.089 0.000 1.086 349 R CA -0.737 55.415 56.100 0.087 0.000 0.978 349 R CB 2.436 32.807 30.300 0.119 0.000 1.215 349 R HN 0.988 nan 8.270 nan 0.000 0.480 350 G N 0.521 109.367 108.800 0.077 0.000 2.306 350 G HA2 0.165 4.125 3.960 -0.000 0.000 0.340 350 G HA3 0.165 4.125 3.960 -0.000 0.000 0.340 350 G C -1.498 173.414 174.900 0.020 0.000 1.630 350 G CA -1.043 44.089 45.100 0.053 0.000 0.937 350 G HN 0.389 nan 8.290 nan 0.000 0.693 351 L N 2.158 123.371 121.223 -0.016 0.000 2.307 351 L HA 0.620 4.960 4.340 -0.000 0.000 0.282 351 L C 1.628 178.478 176.870 -0.033 0.000 1.051 351 L CA 0.661 55.490 54.840 -0.019 0.000 0.804 351 L CB 1.159 43.202 42.059 -0.027 0.000 1.197 351 L HN 1.795 nan 8.230 nan 0.000 0.431 352 G N 2.981 111.770 108.800 -0.017 0.000 2.651 352 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.315 352 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.315 352 G C 0.533 175.421 174.900 -0.021 0.000 1.258 352 G CA 0.420 45.509 45.100 -0.019 0.000 1.002 352 G HN 0.936 nan 8.290 nan 0.000 0.551 353 A N -0.778 122.023 122.820 -0.031 0.000 2.507 353 A HA 0.689 5.009 4.320 -0.000 0.000 0.270 353 A C 1.047 178.619 177.584 -0.021 0.000 1.318 353 A CA 0.974 52.993 52.037 -0.030 0.000 0.924 353 A CB -0.050 18.923 19.000 -0.045 0.000 1.061 353 A HN 0.794 nan 8.150 nan 0.000 0.516 354 M N 2.017 121.582 119.600 -0.058 0.000 3.347 354 M HA 0.324 4.804 4.480 -0.000 0.000 0.260 354 M C -1.339 174.990 176.300 0.049 0.000 1.362 354 M CA -0.129 55.081 55.300 -0.150 0.000 1.497 354 M CB -0.301 32.044 32.600 -0.426 0.000 1.080 354 M HN 0.095 nan 8.290 nan 0.000 0.592 355 I N 2.223 122.935 120.570 0.237 0.000 2.392 355 I HA 0.721 4.891 4.170 -0.000 0.000 0.295 355 I C 0.107 176.380 176.117 0.260 0.000 0.985 355 I CA -0.525 60.906 61.300 0.218 0.000 1.221 355 I CB 1.049 39.105 38.000 0.093 0.000 1.366 355 I HN 0.566 nan 8.210 nan 0.000 0.467 356 A N 7.073 129.991 122.820 0.164 0.000 2.594 356 A HA 0.909 5.229 4.320 -0.000 0.000 0.291 356 A C -0.957 176.617 177.584 -0.017 0.000 1.105 356 A CA -0.568 51.465 52.037 -0.008 0.000 0.694 356 A CB 2.314 21.253 19.000 -0.101 0.000 1.291 356 A HN 0.698 nan 8.150 nan 0.000 0.410 357 I N -1.870 118.660 120.570 -0.066 0.000 2.686 357 I HA 0.801 4.971 4.170 -0.000 0.000 0.295 357 I C -0.750 175.301 176.117 -0.110 0.000 1.114 357 I CA -0.494 60.773 61.300 -0.055 0.000 1.038 357 I CB 2.186 40.165 38.000 -0.035 0.000 1.238 357 I HN 0.739 nan 8.210 nan 0.000 0.420 358 E N 6.006 126.116 120.200 -0.151 0.000 2.171 358 E HA 0.572 4.922 4.350 -0.000 0.000 0.271 358 E C -1.602 174.696 176.600 -0.503 0.000 0.916 358 E CA -0.812 55.395 56.400 -0.322 0.000 0.774 358 E CB 1.834 31.340 29.700 -0.325 0.000 1.128 358 E HN 0.683 nan 8.360 nan 0.000 0.403 359 L N 5.347 126.297 121.223 -0.455 0.000 2.275 359 L HA 0.479 4.819 4.340 -0.000 0.000 0.288 359 L C -0.739 175.866 176.870 -0.442 0.000 1.046 359 L CA -0.594 54.056 54.840 -0.316 0.000 0.805 359 L CB 0.488 42.510 42.059 -0.062 0.000 1.193 359 L HN 0.536 nan 8.230 nan 0.000 0.426 360 F N 0.422 120.422 119.950 0.082 0.000 2.532 360 F HA 0.336 4.863 4.527 -0.000 0.000 0.321 360 F C 0.488 176.337 175.800 0.081 0.000 1.089 360 F CA -0.957 57.089 58.000 0.076 0.000 0.926 360 F CB 1.740 40.783 39.000 0.071 0.000 1.168 360 F HN 0.426 nan 8.300 nan 0.000 0.459 361 E N 1.648 122.008 120.200 0.266 0.000 2.351 361 E HA 0.017 4.367 4.350 -0.000 0.000 0.266 361 E C -0.548 176.145 176.600 0.156 0.000 1.031 361 E CA 0.529 57.029 56.400 0.166 0.000 0.911 361 E CB 0.213 29.985 29.700 0.120 0.000 0.986 361 E HN 0.646 nan 8.360 nan 0.000 0.446 362 D N 2.438 122.919 120.400 0.135 0.000 3.006 362 D HA -0.232 4.408 4.640 -0.000 0.000 0.208 362 D C 0.721 177.098 176.300 0.128 0.000 1.116 362 D CA 1.710 55.776 54.000 0.110 0.000 0.998 362 D CB -0.956 39.889 40.800 0.075 0.000 1.124 362 D HN 0.845 nan 8.370 nan 0.000 0.413 363 G N 0.245 109.162 108.800 0.195 0.000 2.131 363 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.201 363 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.201 363 G C -0.444 174.550 174.900 0.156 0.000 1.000 363 G CA 0.012 45.249 45.100 0.227 0.000 0.680 363 G HN 0.512 nan 8.290 nan 0.000 0.514 364 D N -0.651 119.816 120.400 0.113 0.000 2.317 364 D HA 0.557 5.197 4.640 -0.000 0.000 0.234 364 D C 1.474 177.654 176.300 -0.200 0.000 1.112 364 D CA -0.751 53.239 54.000 -0.018 0.000 0.840 364 D CB 0.443 41.243 40.800 -0.001 0.000 1.078 364 D HN 0.192 nan 8.370 nan 0.000 0.486 365 H N 2.479 121.130 119.070 -0.698 0.000 2.518 365 H HA -0.066 4.490 4.556 -0.000 0.000 0.294 365 H C 0.942 175.953 175.328 -0.529 0.000 1.083 365 H CA 0.903 56.258 56.048 -1.155 0.000 1.264 365 H CB 0.129 29.404 29.762 -0.810 0.000 1.370 365 H HN 0.449 nan 8.280 nan 0.000 0.560 366 N N 0.464 119.082 118.700 -0.137 0.000 2.353 366 N HA -0.010 4.730 4.740 -0.000 0.000 0.185 366 N C -0.168 175.348 175.510 0.010 0.000 1.098 366 N CA 0.296 53.323 53.050 -0.038 0.000 0.872 366 N CB 0.631 39.092 38.487 -0.043 0.000 0.970 366 N HN 0.315 nan 8.380 nan 0.000 0.467 367 K N 1.572 122.014 120.400 0.070 0.000 2.533 367 K HA 0.341 4.660 4.320 -0.000 0.000 0.207 367 K C -2.731 174.022 176.600 0.254 0.000 1.052 367 K CA -1.573 54.786 56.287 0.119 0.000 1.030 367 K CB 1.582 34.138 32.500 0.094 0.000 1.522 367 K HN -0.121 nan 8.250 nan 0.000 0.543 368 P HA -0.086 nan 4.420 nan 0.000 0.263 368 P C -0.590 176.800 177.300 0.151 0.000 1.195 368 P CA 0.091 63.340 63.100 0.248 0.000 0.762 368 P CB 0.471 32.272 31.700 0.168 0.000 0.799 369 D N 3.424 123.889 120.400 0.108 0.000 2.564 369 D HA 0.207 4.847 4.640 -0.000 0.000 0.226 369 D C 1.214 177.545 176.300 0.052 0.000 1.149 369 D CA -0.309 53.736 54.000 0.074 0.000 0.994 369 D CB 0.069 40.908 40.800 0.066 0.000 1.029 369 D HN 0.216 nan 8.370 nan 0.000 0.517 370 A N 3.224 126.096 122.820 0.087 0.000 1.972 370 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 370 A C 2.083 179.680 177.584 0.022 0.000 1.169 370 A CA 1.157 53.249 52.037 0.092 0.000 0.635 370 A CB -0.054 19.039 19.000 0.154 0.000 0.810 370 A HN 0.398 nan 8.150 nan 0.000 0.446 371 K N -1.040 119.367 120.400 0.010 0.000 2.025 371 K HA -0.066 4.254 4.320 -0.000 0.000 0.207 371 K C 1.944 178.519 176.600 -0.042 0.000 1.049 371 K CA 1.263 57.539 56.287 -0.020 0.000 0.933 371 K CB -0.361 32.132 32.500 -0.012 0.000 0.714 371 K HN 0.394 nan 8.250 nan 0.000 0.438 372 L N 1.608 122.810 121.223 -0.035 0.000 2.017 372 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 372 L C 1.995 178.790 176.870 -0.124 0.000 1.073 372 L CA 1.981 56.776 54.840 -0.076 0.000 0.745 372 L CB -0.969 41.067 42.059 -0.038 0.000 0.894 372 L HN 0.124 nan 8.230 nan 0.000 0.432 373 T N 0.222 114.728 114.554 -0.081 0.000 2.635 373 T HA -0.259 4.091 4.350 -0.000 0.000 0.267 373 T C 1.887 176.526 174.700 -0.102 0.000 1.040 373 T CA 1.815 63.863 62.100 -0.087 0.000 1.156 373 T CB -0.710 68.132 68.868 -0.043 0.000 0.863 373 T HN 0.557 nan 8.240 nan 0.000 0.430 374 A N 0.917 123.687 122.820 -0.082 0.000 1.972 374 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 374 A C 2.208 179.729 177.584 -0.105 0.000 1.169 374 A CA 1.865 53.847 52.037 -0.091 0.000 0.635 374 A CB -0.566 18.383 19.000 -0.086 0.000 0.810 374 A HN 0.631 nan 8.150 nan 0.000 0.446 375 E N -0.280 119.849 120.200 -0.119 0.000 2.072 375 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 375 E C 1.811 178.308 176.600 -0.170 0.000 0.985 375 E CA 1.120 57.442 56.400 -0.130 0.000 0.801 375 E CB -0.113 29.506 29.700 -0.134 0.000 0.750 375 E HN 0.495 nan 8.360 nan 0.000 0.452 376 I N 0.976 121.399 120.570 -0.245 0.000 2.208 376 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 376 I C 2.509 178.526 176.117 -0.166 0.000 1.097 376 I CA 0.851 61.966 61.300 -0.309 0.000 1.363 376 I CB -1.197 36.533 38.000 -0.451 0.000 1.051 376 I HN 0.098 nan 8.210 nan 0.000 0.413 377 V N 1.392 121.237 119.914 -0.115 0.000 2.287 377 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 377 V C 2.831 178.918 176.094 -0.012 0.000 1.053 377 V CA 2.023 64.296 62.300 -0.046 0.000 1.027 377 V CB -1.106 30.682 31.823 -0.058 0.000 0.646 377 V HN 0.478 nan 8.190 nan 0.000 0.447 378 A N -0.383 122.410 122.820 -0.045 0.000 1.902 378 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 378 A C 2.360 179.930 177.584 -0.023 0.000 1.181 378 A CA 1.816 53.840 52.037 -0.021 0.000 0.623 378 A CB -0.476 18.498 19.000 -0.044 0.000 0.818 378 A HN 0.515 nan 8.150 nan 0.000 0.443 379 R N -0.602 119.860 120.500 -0.062 0.000 2.075 379 R HA -0.039 4.301 4.340 -0.000 0.000 0.232 379 R C 2.509 178.774 176.300 -0.057 0.000 1.126 379 R CA 1.152 57.212 56.100 -0.067 0.000 0.963 379 R CB -0.470 29.768 30.300 -0.104 0.000 0.858 379 R HN 0.500 nan 8.270 nan 0.000 0.435 380 A N 1.321 124.102 122.820 -0.066 0.000 1.940 380 A HA -0.195 4.124 4.320 -0.000 0.000 0.219 380 A C 2.131 179.691 177.584 -0.039 0.000 1.176 380 A CA 1.240 53.237 52.037 -0.066 0.000 0.631 380 A CB -0.500 18.458 19.000 -0.070 0.000 0.814 380 A HN 0.134 nan 8.150 nan 0.000 0.446 381 R N -0.107 120.400 120.500 0.011 0.000 2.096 381 R HA -0.145 4.195 4.340 -0.000 0.000 0.235 381 R C 0.959 177.297 176.300 0.063 0.000 1.127 381 R CA 1.796 57.928 56.100 0.055 0.000 0.968 381 R CB -0.544 29.829 30.300 0.122 0.000 0.861 381 R HN 0.457 nan 8.270 nan 0.000 0.440 382 D N 0.459 120.872 120.400 0.022 0.000 2.264 382 D HA -0.092 4.548 4.640 -0.000 0.000 0.208 382 D C 1.043 177.316 176.300 -0.045 0.000 0.966 382 D CA 1.068 55.068 54.000 -0.000 0.000 0.864 382 D CB 0.081 40.874 40.800 -0.011 0.000 0.933 382 D HN 0.259 nan 8.370 nan 0.000 0.499 383 K N -0.562 119.802 120.400 -0.060 0.000 2.387 383 K HA 0.241 4.561 4.320 -0.000 0.000 0.198 383 K C 0.831 177.349 176.600 -0.137 0.000 1.022 383 K CA 0.262 56.493 56.287 -0.092 0.000 1.128 383 K CB 0.911 33.360 32.500 -0.084 0.000 0.853 383 K HN 0.062 nan 8.250 nan 0.000 0.523 384 G N 1.837 110.550 108.800 -0.145 0.000 2.149 384 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.235 384 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.235 384 G C -0.579 174.255 174.900 -0.111 0.000 1.018 384 G CA -0.228 44.733 45.100 -0.230 0.000 0.728 384 G HN 0.197 nan 8.290 nan 0.000 0.508 385 L N 1.421 122.594 121.223 -0.083 0.000 2.343 385 L HA 0.695 5.035 4.340 -0.000 0.000 0.278 385 L C -0.120 176.675 176.870 -0.124 0.000 0.996 385 L CA -1.427 53.314 54.840 -0.165 0.000 0.831 385 L CB 0.994 42.888 42.059 -0.274 0.000 1.232 385 L HN 0.062 nan 8.230 nan 0.000 0.413 386 I N 6.653 127.142 120.570 -0.134 0.000 2.363 386 I HA 0.262 4.432 4.170 -0.000 0.000 0.292 386 I C -0.002 176.096 176.117 -0.030 0.000 1.075 386 I CA 0.115 61.280 61.300 -0.224 0.000 1.333 386 I CB 0.314 38.150 38.000 -0.273 0.000 1.415 386 I HN 0.564 nan 8.210 nan 0.000 0.502 387 L N 6.790 128.051 121.223 0.064 0.000 2.301 387 L HA 0.646 4.986 4.340 -0.000 0.000 0.264 387 L C -0.471 176.494 176.870 0.158 0.000 1.016 387 L CA -0.846 54.066 54.840 0.119 0.000 0.821 387 L CB 2.672 44.772 42.059 0.068 0.000 1.346 387 L HN 0.315 nan 8.230 nan 0.000 0.429 388 L N 0.441 121.694 121.223 0.050 0.000 2.388 388 L HA 0.558 4.898 4.340 -0.000 0.000 0.264 388 L C -0.247 176.566 176.870 -0.094 0.000 0.998 388 L CA -0.366 54.462 54.840 -0.021 0.000 0.817 388 L CB 2.399 44.434 42.059 -0.041 0.000 1.338 388 L HN 0.755 nan 8.230 nan 0.000 0.414 389 S N 0.470 116.104 115.700 -0.109 0.000 2.766 389 S HA 0.888 5.358 4.470 -0.000 0.000 0.307 389 S C -0.311 174.192 174.600 -0.162 0.000 1.121 389 S CA -0.396 57.723 58.200 -0.134 0.000 0.980 389 S CB 2.160 65.311 63.200 -0.080 0.000 1.159 389 S HN 0.953 nan 8.310 nan 0.000 0.546 390 C N -2.448 116.743 119.300 -0.182 0.000 3.271 390 C HA 0.947 5.407 4.460 -0.000 0.000 0.362 390 C C 0.252 175.102 174.990 -0.233 0.000 1.567 390 C CA -0.109 58.788 59.018 -0.201 0.000 1.144 390 C CB 0.056 27.634 27.740 -0.269 0.000 1.807 390 C HN 2.680 nan 8.230 nan 0.000 0.423 391 G N 0.701 109.343 108.800 -0.263 0.000 2.712 391 G HA2 0.166 4.126 3.960 -0.000 0.000 0.686 391 G HA3 0.166 4.126 3.960 -0.000 0.000 0.686 391 G C -1.737 172.873 174.900 -0.484 0.000 1.181 391 G CA 0.002 44.928 45.100 -0.291 0.000 0.762 391 G HN 0.860 nan 8.290 nan 0.000 0.641 392 P HA -0.115 nan 4.420 nan 0.000 0.219 392 P C 0.737 177.276 177.300 -1.270 0.000 1.146 392 P CA 1.595 64.189 63.100 -0.844 0.000 0.808 392 P CB -0.012 31.203 31.700 -0.809 0.000 0.779 393 Y N -2.353 117.628 120.300 -0.531 0.000 2.607 393 Y HA 0.218 4.768 4.550 -0.000 0.000 0.266 393 Y C 0.272 176.039 175.900 -0.222 0.000 1.178 393 Y CA -0.868 57.010 58.100 -0.370 0.000 1.226 393 Y CB -0.702 37.713 38.460 -0.074 0.000 1.144 393 Y HN -0.212 nan 8.280 nan 0.000 0.528 394 Y N 0.159 120.455 120.300 -0.007 0.000 3.396 394 Y HA -0.344 4.206 4.550 -0.000 0.000 0.214 394 Y C 0.460 176.336 175.900 -0.041 0.000 1.203 394 Y CA 0.603 58.675 58.100 -0.047 0.000 1.401 394 Y CB -2.357 36.073 38.460 -0.050 0.000 1.409 394 Y HN 0.491 nan 8.280 nan 0.000 0.594 395 N N -1.093 117.624 118.700 0.029 0.000 2.401 395 N HA 0.343 5.083 4.740 -0.000 0.000 0.264 395 N C -0.876 174.562 175.510 -0.119 0.000 1.238 395 N CA 0.007 53.042 53.050 -0.025 0.000 0.889 395 N CB 0.474 38.951 38.487 -0.018 0.000 1.196 395 N HN 0.165 nan 8.380 nan 0.000 0.511 396 V N 1.229 121.063 119.914 -0.133 0.000 2.531 396 V HA 0.429 4.548 4.120 -0.000 0.000 0.301 396 V C -0.227 175.745 176.094 -0.203 0.000 1.034 396 V CA -0.750 61.432 62.300 -0.197 0.000 0.865 396 V CB 2.231 33.890 31.823 -0.273 0.000 0.995 396 V HN 0.149 nan 8.190 nan 0.000 0.424 397 L N 6.268 127.386 121.223 -0.175 0.000 2.282 397 L HA 0.663 5.003 4.340 -0.000 0.000 0.288 397 L C 0.375 177.099 176.870 -0.243 0.000 1.033 397 L CA -0.420 54.329 54.840 -0.151 0.000 0.807 397 L CB 1.212 43.247 42.059 -0.040 0.000 1.209 397 L HN 0.734 nan 8.230 nan 0.000 0.423 398 R N 3.556 123.854 120.500 -0.338 0.000 2.732 398 R HA 0.783 5.123 4.340 -0.000 0.000 0.278 398 R C -1.082 175.106 176.300 -0.186 0.000 0.976 398 R CA -0.830 54.959 56.100 -0.518 0.000 0.963 398 R CB 1.823 31.392 30.300 -1.217 0.000 1.150 398 R HN 0.435 nan 8.270 nan 0.000 0.478 399 I N 3.012 123.549 120.570 -0.054 0.000 2.382 399 I HA 0.204 4.373 4.170 -0.000 0.000 0.285 399 I C -0.008 176.130 176.117 0.036 0.000 1.007 399 I CA -0.547 60.761 61.300 0.015 0.000 1.142 399 I CB 1.690 39.692 38.000 0.003 0.000 1.289 399 I HN 0.548 nan 8.210 nan 0.000 0.453 400 L N 7.194 128.420 121.223 0.005 0.000 3.110 400 L HA 0.303 4.643 4.340 -0.000 0.000 0.266 400 L C 0.266 177.091 176.870 -0.076 0.000 1.257 400 L CA -0.249 54.602 54.840 0.017 0.000 1.038 400 L CB 0.966 43.067 42.059 0.070 0.000 1.395 400 L HN 0.369 nan 8.230 nan 0.000 0.566 401 V N 1.874 121.650 119.914 -0.229 0.000 2.872 401 V HA 0.119 4.239 4.120 -0.000 0.000 0.307 401 V C -1.715 174.265 176.094 -0.190 0.000 1.072 401 V CA -0.975 61.144 62.300 -0.303 0.000 1.148 401 V CB 1.072 32.377 31.823 -0.862 0.000 0.954 401 V HN 0.107 nan 8.190 nan 0.000 0.490 402 P HA 0.014 nan 4.420 nan 0.000 0.264 402 P C 0.710 177.947 177.300 -0.106 0.000 1.179 402 P CA 0.411 63.457 63.100 -0.090 0.000 0.763 402 P CB 0.309 31.979 31.700 -0.051 0.000 0.806 403 L N 1.755 122.915 121.223 -0.106 0.000 2.465 403 L HA -0.075 4.265 4.340 -0.000 0.000 0.224 403 L C 1.726 178.528 176.870 -0.114 0.000 1.145 403 L CA 1.378 56.146 54.840 -0.120 0.000 0.834 403 L CB -1.020 40.946 42.059 -0.155 0.000 0.944 403 L HN 0.474 nan 8.230 nan 0.000 0.451 404 T N -2.703 111.796 114.554 -0.091 0.000 3.169 404 T HA 0.136 4.486 4.350 -0.000 0.000 0.250 404 T C 0.765 175.445 174.700 -0.034 0.000 1.111 404 T CA -0.269 61.797 62.100 -0.057 0.000 1.010 404 T CB -0.263 68.594 68.868 -0.018 0.000 0.984 404 T HN 0.134 nan 8.240 nan 0.000 0.537 405 I N 2.069 122.614 120.570 -0.041 0.000 2.752 405 I HA 0.093 4.263 4.170 -0.000 0.000 0.287 405 I C 0.097 176.211 176.117 -0.005 0.000 1.188 405 I CA -0.202 61.088 61.300 -0.016 0.000 1.427 405 I CB 0.624 38.603 38.000 -0.035 0.000 1.365 405 I HN 0.147 nan 8.210 nan 0.000 0.585 406 E N 5.720 125.929 120.200 0.015 0.000 2.318 406 E HA 0.064 4.414 4.350 -0.000 0.000 0.265 406 E C 0.498 177.112 176.600 0.024 0.000 1.069 406 E CA -0.345 56.064 56.400 0.015 0.000 0.893 406 E CB 0.783 30.495 29.700 0.020 0.000 1.076 406 E HN 0.559 nan 8.360 nan 0.000 0.414 407 D N 1.449 121.860 120.400 0.018 0.000 2.158 407 D HA -0.193 4.447 4.640 -0.000 0.000 0.197 407 D C 1.476 177.796 176.300 0.033 0.000 0.995 407 D CA 1.615 55.629 54.000 0.023 0.000 0.846 407 D CB 0.175 40.985 40.800 0.016 0.000 0.941 407 D HN 0.480 nan 8.370 nan 0.000 0.456 408 A N 0.855 123.693 122.820 0.030 0.000 1.933 408 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 408 A C 2.155 179.765 177.584 0.044 0.000 1.175 408 A CA 1.365 53.421 52.037 0.031 0.000 0.628 408 A CB -0.511 18.504 19.000 0.024 0.000 0.814 408 A HN 0.127 nan 8.150 nan 0.000 0.444 409 Q N -0.338 119.497 119.800 0.060 0.000 2.224 409 Q HA 0.034 4.374 4.340 -0.000 0.000 0.203 409 Q C 1.819 177.916 176.000 0.160 0.000 0.970 409 Q CA 1.181 57.040 55.803 0.094 0.000 0.865 409 Q CB -0.298 28.510 28.738 0.117 0.000 0.922 409 Q HN 0.769 nan 8.270 nan 0.000 0.445 410 I N -0.090 120.561 120.570 0.135 0.000 2.202 410 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 410 I C 2.197 178.393 176.117 0.132 0.000 1.091 410 I CA 1.112 62.509 61.300 0.162 0.000 1.368 410 I CB -0.206 37.842 38.000 0.080 0.000 1.058 410 I HN 0.144 nan 8.210 nan 0.000 0.410 411 R N 0.381 120.926 120.500 0.076 0.000 2.091 411 R HA -0.241 4.099 4.340 -0.000 0.000 0.238 411 R C 2.324 178.647 176.300 0.038 0.000 1.136 411 R CA 1.713 57.843 56.100 0.050 0.000 0.959 411 R CB -0.466 29.853 30.300 0.032 0.000 0.856 411 R HN 0.481 nan 8.270 nan 0.000 0.437 412 Q N 0.151 119.968 119.800 0.030 0.000 2.050 412 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 412 Q C 2.055 178.021 176.000 -0.056 0.000 0.980 412 Q CA 1.937 57.733 55.803 -0.011 0.000 0.840 412 Q CB -0.306 28.422 28.738 -0.018 0.000 0.898 412 Q HN 0.414 nan 8.270 nan 0.000 0.424 413 G N 1.081 109.847 108.800 -0.056 0.000 2.422 413 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.218 413 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.218 413 G C 1.410 176.242 174.900 -0.114 0.000 1.146 413 G CA 0.843 45.776 45.100 -0.278 0.000 0.769 413 G HN 0.328 nan 8.290 nan 0.000 0.547 414 L N -0.163 121.085 121.223 0.041 0.000 2.093 414 L HA -0.005 4.335 4.340 -0.000 0.000 0.208 414 L C 2.921 179.804 176.870 0.021 0.000 1.085 414 L CA 0.852 55.726 54.840 0.056 0.000 0.755 414 L CB -0.235 41.868 42.059 0.073 0.000 0.904 414 L HN 0.111 nan 8.230 nan 0.000 0.435 415 E N 0.489 120.691 120.200 0.004 0.000 2.051 415 E HA -0.192 4.157 4.350 -0.000 0.000 0.192 415 E C 2.298 178.893 176.600 -0.008 0.000 0.991 415 E CA 1.302 57.704 56.400 0.003 0.000 0.799 415 E CB -0.145 29.552 29.700 -0.005 0.000 0.748 415 E HN 0.455 nan 8.360 nan 0.000 0.449 416 I N 0.787 121.329 120.570 -0.046 0.000 2.151 416 I HA -0.322 3.848 4.170 -0.000 0.000 0.243 416 I C 2.484 178.582 176.117 -0.032 0.000 1.080 416 I CA 1.096 62.357 61.300 -0.065 0.000 1.339 416 I CB -0.307 37.612 38.000 -0.134 0.000 1.039 416 I HN 0.092 nan 8.210 nan 0.000 0.409 417 I N -0.223 120.339 120.570 -0.015 0.000 2.226 417 I HA -0.318 3.852 4.170 -0.000 0.000 0.245 417 I C 2.784 179.002 176.117 0.169 0.000 1.100 417 I CA 1.396 62.741 61.300 0.076 0.000 1.374 417 I CB -0.365 37.698 38.000 0.105 0.000 1.057 417 I HN 0.215 nan 8.210 nan 0.000 0.413 418 S N 0.347 116.106 115.700 0.098 0.000 2.370 418 S HA -0.267 4.203 4.470 -0.000 0.000 0.226 418 S C 2.013 176.681 174.600 0.113 0.000 1.033 418 S CA 1.686 59.945 58.200 0.098 0.000 1.011 418 S CB -0.177 63.059 63.200 0.060 0.000 0.852 418 S HN 0.467 nan 8.310 nan 0.000 0.457 419 Q N -0.523 119.317 119.800 0.065 0.000 2.167 419 Q HA -0.066 4.274 4.340 -0.000 0.000 0.202 419 Q C 2.516 178.529 176.000 0.023 0.000 0.970 419 Q CA 1.503 57.333 55.803 0.044 0.000 0.855 419 Q CB -0.380 28.365 28.738 0.012 0.000 0.911 419 Q HN 0.615 nan 8.270 nan 0.000 0.438 420 C N -0.160 119.138 119.300 -0.002 0.000 2.425 420 C HA -0.108 4.351 4.460 -0.000 0.000 0.277 420 C C 2.224 177.107 174.990 -0.179 0.000 1.280 420 C CA 0.493 59.449 59.018 -0.103 0.000 1.744 420 C CB -0.936 26.704 27.740 -0.166 0.000 1.989 420 C HN 0.441 nan 8.230 nan 0.000 0.491 421 F N 1.239 121.071 119.950 -0.197 0.000 2.206 421 F HA -0.082 4.444 4.527 -0.000 0.000 0.298 421 F C 2.182 177.849 175.800 -0.222 0.000 1.090 421 F CA 1.562 59.333 58.000 -0.381 0.000 1.323 421 F CB -0.454 38.028 39.000 -0.864 0.000 1.028 421 F HN 0.229 nan 8.300 nan 0.000 0.492 422 D N 0.066 120.543 120.400 0.127 0.000 2.117 422 D HA -0.131 4.509 4.640 -0.000 0.000 0.198 422 D C 1.951 178.320 176.300 0.115 0.000 0.982 422 D CA 1.174 55.310 54.000 0.227 0.000 0.828 422 D CB -0.405 40.505 40.800 0.183 0.000 0.967 422 D HN 0.370 nan 8.370 nan 0.000 0.464 423 E N 0.351 120.578 120.200 0.044 0.000 2.274 423 E HA 0.013 4.363 4.350 -0.000 0.000 0.194 423 E C 1.837 178.432 176.600 -0.009 0.000 0.996 423 E CA 0.501 56.908 56.400 0.012 0.000 0.840 423 E CB 0.119 29.812 29.700 -0.011 0.000 0.772 423 E HN 0.156 nan 8.360 nan 0.000 0.491 424 A N 1.876 124.676 122.820 -0.034 0.000 2.067 424 A HA -0.136 4.183 4.320 -0.000 0.000 0.217 424 A C 1.987 179.573 177.584 0.005 0.000 1.156 424 A CA 0.948 52.950 52.037 -0.057 0.000 0.683 424 A CB -0.189 18.716 19.000 -0.159 0.000 0.808 424 A HN 0.173 nan 8.150 nan 0.000 0.455 425 K N -0.391 120.047 120.400 0.064 0.000 2.323 425 K HA 0.122 4.441 4.320 -0.000 0.000 0.197 425 K C 0.769 177.406 176.600 0.062 0.000 1.043 425 K CA -0.080 56.263 56.287 0.092 0.000 0.997 425 K CB -0.110 32.494 32.500 0.173 0.000 0.807 425 K HN 0.511 nan 8.250 nan 0.000 0.497 426 Q N 0.000 119.831 119.800 0.051 0.000 2.315 426 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 426 Q CA 0.000 55.824 55.803 0.034 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