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 1ggm_1_B DATA FIRST_RESID 1 DATA SEQUENCE AASSLDELVA LCKRRGFIFQ SSEIYGGLQG VYDYGPLGVE LKNNLKQAWW DATA SEQUENCE RRNVYERDDM EGLDASVLTH RLVLHYSGHE ATFADPMVDN AKARYXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXWT PPRYFNMMFQ DLRGPRGGRG LLAYLRPETA QGIFVNFKNV DATA SEQUENCE LDATSRKLGF GIAQIGKAFR NEITPRNFIF RVREFEQMEI EYFVRPGEDE DATA SEQUENCE YWHRYWVEER LKWWQEMGLS RENLVPYQQP PESSAHYAKA TVDILYRFPH DATA SEQUENCE GSLELEGIAQ RTDFDLGSHT KDQEALGITA RVLRNEHSTQ RLAYRDPETG DATA SEQUENCE KWFVPYVIEP SAGVDRGVLA LLAEAFTREE LPNGEERIVL KLKPQLAPIK DATA SEQUENCE VAVIPLVKNR PEITEYAKRL KARLLALGLG RVLYEDTGNI GKAYRRHDEV DATA SEQUENCE GTPFAVTVDY DTIGQSKDGT TRLKDTVTVR DRDTMEQIRL HVDELEGFLR DATA SEQUENCE ERLRW 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.694 177.584 0.183 0.000 1.274 1 A CA 0.000 52.094 52.037 0.095 0.000 0.836 1 A CB 0.000 19.000 19.000 0.000 0.000 0.831 2 A N -0.800 122.143 122.820 0.205 0.000 2.260 2 A HA 0.317 nan 4.320 nan 0.000 0.308 2 A C 0.128 177.748 177.584 0.059 0.000 1.254 2 A CA -1.259 50.919 52.037 0.235 0.000 0.874 2 A CB 0.244 19.217 19.000 -0.044 0.000 1.153 2 A HN 0.008 8.245 8.150 0.145 0.000 0.527 3 S N 4.831 120.579 115.700 0.081 0.000 2.359 3 S HA -0.297 nan 4.470 nan 0.000 0.223 3 S C -0.126 174.459 174.600 -0.025 0.000 1.039 3 S CA 2.396 60.613 58.200 0.028 0.000 1.042 3 S CB 0.141 63.376 63.200 0.058 0.000 0.915 3 S HN 0.667 9.106 8.310 0.208 -0.004 0.439 4 S N -0.717 114.933 115.700 -0.083 0.000 2.549 4 S HA 0.253 nan 4.470 nan 0.000 0.280 4 S C -0.547 173.967 174.600 -0.144 0.000 1.109 4 S CA -1.668 56.481 58.200 -0.086 0.000 0.905 4 S CB 2.817 65.969 63.200 -0.080 0.000 1.081 4 S HN -0.413 8.180 8.310 -0.139 -0.366 0.477 5 L N 2.847 124.014 121.223 -0.095 0.000 2.079 5 L HA -0.334 nan 4.340 nan 0.000 0.210 5 L C 0.840 177.544 176.870 -0.277 0.000 1.081 5 L CA 2.629 57.384 54.840 -0.141 0.000 0.752 5 L CB -0.761 41.255 42.059 -0.071 0.000 0.896 5 L HN 0.721 8.926 8.230 -0.042 0.000 0.433 6 D N -3.049 117.222 120.400 -0.214 0.000 2.126 6 D HA -0.403 nan 4.640 nan 0.000 0.190 6 D C 2.718 178.859 176.300 -0.265 0.000 1.001 6 D CA 4.016 57.885 54.000 -0.218 0.000 0.841 6 D CB -0.873 39.846 40.800 -0.135 0.000 0.949 6 D HN 0.540 8.803 8.370 -0.154 0.014 0.446 7 E N -0.007 120.031 120.200 -0.270 0.000 2.033 7 E HA -0.380 nan 4.350 nan 0.000 0.199 7 E C 2.591 178.941 176.600 -0.417 0.000 1.011 7 E CA 2.526 58.733 56.400 -0.321 0.000 0.815 7 E CB -0.374 29.029 29.700 -0.495 0.000 0.755 7 E HN -0.706 7.510 8.360 -0.240 0.000 0.451 8 L N -1.321 119.582 121.223 -0.534 0.000 1.997 8 L HA -0.482 nan 4.340 nan 0.000 0.216 8 L C 2.207 178.749 176.870 -0.546 0.000 1.074 8 L CA 3.225 57.768 54.840 -0.495 0.000 0.763 8 L CB -0.492 41.328 42.059 -0.399 0.000 0.890 8 L HN -0.718 7.201 8.230 -0.519 0.000 0.434 9 V N -2.268 117.150 119.914 -0.826 0.000 2.392 9 V HA -0.485 nan 4.120 nan 0.000 0.249 9 V C 1.966 177.855 176.094 -0.341 0.000 1.059 9 V CA 3.963 65.666 62.300 -0.995 0.000 1.051 9 V CB -1.379 29.947 31.823 -0.828 0.000 0.658 9 V HN 0.359 8.114 8.190 -0.726 0.000 0.455 10 A N -0.942 121.740 122.820 -0.231 0.000 1.970 10 A HA -0.165 nan 4.320 nan 0.000 0.216 10 A C 1.883 179.468 177.584 0.002 0.000 1.170 10 A CA 3.029 55.019 52.037 -0.078 0.000 0.645 10 A CB -0.510 18.450 19.000 -0.067 0.000 0.816 10 A HN 0.004 7.855 8.150 -0.291 0.124 0.447 11 L N -1.080 120.143 121.223 -0.001 0.000 2.072 11 L HA -0.318 nan 4.340 nan 0.000 0.205 11 L C 1.619 178.618 176.870 0.215 0.000 1.079 11 L CA 3.441 58.357 54.840 0.127 0.000 0.752 11 L CB -0.003 42.157 42.059 0.169 0.000 0.906 11 L HN 0.257 8.429 8.230 -0.096 0.000 0.436 12 C N -1.952 117.456 119.300 0.179 0.000 2.401 12 C HA -0.490 nan 4.460 nan 0.000 0.276 12 C C 1.936 177.030 174.990 0.173 0.000 1.233 12 C CA 4.394 63.590 59.018 0.297 0.000 1.753 12 C CB -2.118 25.830 27.740 0.346 0.000 2.029 12 C HN 0.246 8.500 8.230 0.040 0.000 0.478 13 K N -0.371 120.114 120.400 0.141 0.000 2.021 13 K HA -0.233 nan 4.320 nan 0.000 0.205 13 K C 2.507 179.204 176.600 0.163 0.000 1.047 13 K CA 2.582 58.969 56.287 0.168 0.000 0.943 13 K CB -0.459 32.158 32.500 0.197 0.000 0.725 13 K HN -0.460 7.861 8.250 0.118 0.000 0.439 14 R N -0.797 119.777 120.500 0.124 0.000 2.249 14 R HA -0.266 nan 4.340 nan 0.000 0.230 14 R C 1.169 177.510 176.300 0.069 0.000 1.121 14 R CA 2.427 58.587 56.100 0.101 0.000 0.997 14 R CB -0.037 30.312 30.300 0.083 0.000 0.867 14 R HN -0.334 8.003 8.270 0.112 0.000 0.465 15 R N -5.908 114.613 120.500 0.036 0.000 2.446 15 R HA 0.194 nan 4.340 nan 0.000 0.254 15 R C -0.505 175.639 176.300 -0.259 0.000 0.918 15 R CA -1.748 54.290 56.100 -0.104 0.000 1.069 15 R CB 1.241 31.465 30.300 -0.127 0.000 1.194 15 R HN -0.411 7.852 8.270 0.076 0.053 0.534 16 G N -1.640 107.016 108.800 -0.240 0.000 2.142 16 G HA2 -0.313 nan 3.960 nan 0.000 0.225 16 G HA3 -0.313 nan 3.960 nan 0.000 0.225 16 G C 0.210 174.706 174.900 -0.673 0.000 1.015 16 G CA 0.582 45.367 45.100 -0.525 0.000 0.716 16 G HN -0.304 7.798 8.290 -0.118 0.117 0.508 17 F N 0.710 120.433 119.950 -0.379 0.000 2.059 17 F HA -0.009 nan 4.527 nan 0.000 0.289 17 F C -0.052 175.538 175.800 -0.350 0.000 1.128 17 F CA 2.867 60.738 58.000 -0.215 0.000 1.181 17 F CB 0.997 39.961 39.000 -0.060 0.000 1.012 17 F HN 0.083 8.165 8.300 -0.216 0.089 0.473 18 I N -3.728 116.739 120.570 -0.172 0.000 2.498 18 I HA 0.163 nan 4.170 nan 0.000 0.290 18 I C -1.559 174.463 176.117 -0.158 0.000 1.032 18 I CA -0.844 60.291 61.300 -0.276 0.000 1.073 18 I CB 2.778 40.593 38.000 -0.309 0.000 1.251 18 I HN -0.725 7.362 8.210 -0.021 0.110 0.426 19 F N 4.210 124.222 119.950 0.103 0.000 2.523 19 F HA 0.388 nan 4.527 nan 0.000 0.329 19 F C -1.002 174.847 175.800 0.082 0.000 1.061 19 F CA -2.673 55.386 58.000 0.098 0.000 0.967 19 F CB 3.401 42.426 39.000 0.042 0.000 1.218 19 F HN 0.813 9.039 8.300 0.056 0.107 0.480 20 Q N 1.083 121.012 119.800 0.215 0.000 2.297 20 Q HA 0.017 nan 4.340 nan 0.000 0.267 20 Q C -0.266 175.665 176.000 -0.116 0.000 1.006 20 Q CA -0.032 55.702 55.803 -0.114 0.000 0.896 20 Q CB 0.529 29.205 28.738 -0.103 0.000 1.186 20 Q HN 0.408 8.835 8.270 0.261 0.000 0.392 21 S N 5.194 120.759 115.700 -0.226 0.000 2.568 21 S HA -0.194 nan 4.470 nan 0.000 0.282 21 S C 0.717 175.258 174.600 -0.098 0.000 1.338 21 S CA 0.624 58.764 58.200 -0.100 0.000 1.045 21 S CB 0.389 63.545 63.200 -0.073 0.000 0.873 21 S HN -0.212 7.816 8.310 -0.469 0.000 0.516 22 S N 4.293 119.949 115.700 -0.072 0.000 3.477 22 S HA -0.452 nan 4.470 nan 0.000 0.357 22 S C 0.925 175.468 174.600 -0.095 0.000 1.083 22 S CA 1.002 59.151 58.200 -0.086 0.000 1.042 22 S CB -0.518 62.662 63.200 -0.033 0.000 0.911 22 S HN 0.656 9.071 8.310 -0.055 -0.138 0.490 23 E N 0.497 120.637 120.200 -0.100 0.000 2.065 23 E HA -0.427 nan 4.350 nan 0.000 0.201 23 E C 1.697 178.250 176.600 -0.078 0.000 1.016 23 E CA 3.401 59.753 56.400 -0.079 0.000 0.818 23 E CB -0.377 29.279 29.700 -0.074 0.000 0.749 23 E HN -0.600 7.665 8.360 -0.099 0.035 0.453 24 I N -4.248 116.230 120.570 -0.154 0.000 2.315 24 I HA -0.289 nan 4.170 nan 0.000 0.251 24 I C 1.063 177.194 176.117 0.023 0.000 1.125 24 I CA 2.656 63.869 61.300 -0.144 0.000 1.392 24 I CB -0.363 37.477 38.000 -0.266 0.000 1.065 24 I HN -0.194 7.897 8.210 -0.199 0.000 0.424 25 Y N -0.321 119.965 120.300 -0.023 0.000 2.571 25 Y HA 0.187 nan 4.550 nan 0.000 0.275 25 Y C 0.369 176.260 175.900 -0.015 0.000 1.179 25 Y CA -2.340 55.750 58.100 -0.017 0.000 1.242 25 Y CB -0.585 37.867 38.460 -0.013 0.000 1.126 25 Y HN -0.447 7.736 8.280 -0.126 0.021 0.524 26 G N -1.815 107.058 108.800 0.122 0.000 2.284 26 G HA2 -0.221 nan 3.960 nan 0.000 0.201 26 G HA3 -0.221 nan 3.960 nan 0.000 0.201 26 G C -0.436 174.481 174.900 0.028 0.000 0.998 26 G CA -0.213 44.926 45.100 0.065 0.000 0.651 26 G HN -0.145 8.018 8.290 0.085 0.178 0.489 27 G N -0.031 108.779 108.800 0.017 0.000 2.850 27 G HA2 -0.347 nan 3.960 nan 0.000 0.686 27 G HA3 -0.347 nan 3.960 nan 0.000 0.686 27 G C -0.803 174.087 174.900 -0.017 0.000 1.164 27 G CA -0.396 44.687 45.100 -0.028 0.000 0.826 27 G HN -0.414 7.841 8.290 0.038 0.058 0.586 28 L N 3.507 124.711 121.223 -0.032 0.000 2.315 28 L HA 0.116 nan 4.340 nan 0.000 0.278 28 L C -0.812 176.039 176.870 -0.032 0.000 1.088 28 L CA -1.249 53.590 54.840 -0.001 0.000 0.899 28 L CB 0.817 42.890 42.059 0.023 0.000 1.277 28 L HN -0.065 8.130 8.230 -0.059 0.000 0.431 29 Q N 6.254 126.043 119.800 -0.017 0.000 2.283 29 Q HA -0.303 nan 4.340 nan 0.000 0.301 29 Q C 0.689 176.712 176.000 0.038 0.000 1.063 29 Q CA 1.722 57.516 55.803 -0.015 0.000 0.952 29 Q CB 0.741 29.487 28.738 0.013 0.000 1.166 29 Q HN 0.335 8.605 8.270 -0.000 0.000 0.381 30 G N 1.301 110.143 108.800 0.071 0.000 2.176 30 G HA2 -0.324 nan 3.960 nan 0.000 0.232 30 G HA3 -0.324 nan 3.960 nan 0.000 0.232 30 G C -2.136 172.874 174.900 0.184 0.000 0.986 30 G CA 0.212 45.408 45.100 0.161 0.000 0.643 30 G HN 0.277 8.591 8.290 0.041 0.000 0.522 31 V N -4.657 115.304 119.914 0.078 0.000 2.569 31 V HA 0.621 nan 4.120 nan 0.000 0.301 31 V C -2.224 173.833 176.094 -0.062 0.000 1.044 31 V CA -2.035 60.321 62.300 0.093 0.000 0.874 31 V CB 2.346 34.213 31.823 0.073 0.000 1.002 31 V HN -0.622 7.474 8.190 -0.057 0.060 0.424 32 Y N 4.094 124.383 120.300 -0.019 0.000 2.587 32 Y HA 0.692 nan 4.550 nan 0.000 0.337 32 Y C -0.734 175.154 175.900 -0.019 0.000 1.065 32 Y CA -1.735 56.332 58.100 -0.055 0.000 1.126 32 Y CB 3.070 41.408 38.460 -0.203 0.000 1.279 32 Y HN -0.000 8.466 8.280 0.311 0.000 0.489 33 D N -0.246 120.239 120.400 0.141 0.000 2.362 33 D HA 0.279 nan 4.640 nan 0.000 0.247 33 D C -1.599 174.775 176.300 0.123 0.000 1.050 33 D CA -1.376 52.730 54.000 0.176 0.000 0.839 33 D CB 3.271 44.197 40.800 0.209 0.000 1.283 33 D HN 0.490 8.952 8.370 0.154 0.000 0.477 34 Y N 1.344 121.711 120.300 0.112 0.000 2.477 34 Y HA 0.061 nan 4.550 nan 0.000 0.349 34 Y C 0.493 176.427 175.900 0.058 0.000 0.977 34 Y CA -0.173 57.959 58.100 0.054 0.000 1.214 34 Y CB 0.407 38.892 38.460 0.042 0.000 1.124 34 Y HN 0.164 8.682 8.280 0.397 0.000 0.521 35 G N 5.085 113.876 108.800 -0.016 0.000 2.583 35 G HA2 0.147 nan 3.960 nan 0.000 0.275 35 G HA3 0.147 nan 3.960 nan 0.000 0.275 35 G C -1.607 173.329 174.900 0.060 0.000 1.342 35 G CA -1.436 43.674 45.100 0.017 0.000 1.030 35 G HN 0.112 8.139 8.290 -0.275 0.099 0.520 36 P HA -0.345 nan 4.420 nan 0.000 0.212 36 P C 1.437 178.731 177.300 -0.011 0.000 1.174 36 P CA 3.391 66.510 63.100 0.033 0.000 0.934 36 P CB 0.118 31.828 31.700 0.017 0.000 0.791 37 L N -5.394 115.737 121.223 -0.154 0.000 2.191 37 L HA -0.264 nan 4.340 nan 0.000 0.212 37 L C 2.244 179.213 176.870 0.164 0.000 1.103 37 L CA 2.340 57.076 54.840 -0.173 0.000 0.769 37 L CB -0.952 40.660 42.059 -0.744 0.000 0.908 37 L HN -0.540 7.536 8.230 -0.257 0.000 0.438 38 G N -0.004 108.941 108.800 0.241 0.000 2.453 38 G HA2 -0.329 nan 3.960 nan 0.000 0.215 38 G HA3 -0.329 nan 3.960 nan 0.000 0.215 38 G C 1.211 176.322 174.900 0.353 0.000 1.201 38 G CA 2.020 47.427 45.100 0.511 0.000 0.784 38 G HN -0.736 7.544 8.290 0.037 0.032 0.545 39 V N 3.311 123.359 119.914 0.223 0.000 2.222 39 V HA -0.599 nan 4.120 nan 0.000 0.252 39 V C 2.310 178.440 176.094 0.061 0.000 1.060 39 V CA 4.446 66.793 62.300 0.078 0.000 1.027 39 V CB -0.714 31.154 31.823 0.074 0.000 0.644 39 V HN 0.105 8.429 8.190 0.223 0.000 0.448 40 E N -1.514 118.744 120.200 0.096 0.000 2.035 40 E HA -0.459 nan 4.350 nan 0.000 0.204 40 E C 2.341 179.012 176.600 0.118 0.000 1.025 40 E CA 2.914 59.374 56.400 0.100 0.000 0.835 40 E CB -0.716 29.049 29.700 0.108 0.000 0.764 40 E HN -0.741 7.681 8.360 0.102 0.000 0.457 41 L N -0.457 120.870 121.223 0.173 0.000 2.021 41 L HA -0.404 nan 4.340 nan 0.000 0.215 41 L C 1.691 178.629 176.870 0.114 0.000 1.074 41 L CA 3.258 58.201 54.840 0.171 0.000 0.760 41 L CB -0.151 42.042 42.059 0.224 0.000 0.889 41 L HN -0.427 7.936 8.230 0.223 0.000 0.433 42 K N -1.689 118.744 120.400 0.054 0.000 2.032 42 K HA -0.502 nan 4.320 nan 0.000 0.209 42 K C 2.240 178.819 176.600 -0.035 0.000 1.048 42 K CA 3.984 60.230 56.287 -0.067 0.000 0.927 42 K CB -0.304 31.989 32.500 -0.346 0.000 0.712 42 K HN 0.156 8.453 8.250 0.082 0.003 0.441 43 N N -0.410 118.280 118.700 -0.016 0.000 2.084 43 N HA -0.354 nan 4.740 nan 0.000 0.190 43 N C 2.175 177.723 175.510 0.064 0.000 1.030 43 N CA 3.879 56.931 53.050 0.004 0.000 0.849 43 N CB -0.108 38.381 38.487 0.004 0.000 1.012 43 N HN 0.225 8.418 8.380 -0.008 0.182 0.423 44 N N 1.503 120.268 118.700 0.108 0.000 2.149 44 N HA -0.389 nan 4.740 nan 0.000 0.188 44 N C 2.132 177.764 175.510 0.205 0.000 1.019 44 N CA 3.331 56.483 53.050 0.171 0.000 0.857 44 N CB -0.080 38.525 38.487 0.198 0.000 0.997 44 N HN 0.162 8.601 8.380 0.100 0.000 0.426 45 L N 0.283 121.617 121.223 0.185 0.000 2.027 45 L HA -0.317 nan 4.340 nan 0.000 0.206 45 L C 1.010 178.028 176.870 0.247 0.000 1.074 45 L CA 3.368 58.353 54.840 0.242 0.000 0.745 45 L CB -0.244 41.945 42.059 0.217 0.000 0.898 45 L HN -0.084 8.225 8.230 0.145 0.007 0.433 46 K N -1.512 118.969 120.400 0.135 0.000 2.032 46 K HA -0.492 nan 4.320 nan 0.000 0.209 46 K C 2.375 179.096 176.600 0.201 0.000 1.048 46 K CA 3.850 60.201 56.287 0.107 0.000 0.927 46 K CB -0.348 32.151 32.500 -0.000 0.000 0.712 46 K HN -0.337 7.903 8.250 0.089 0.063 0.441 47 Q N -1.003 118.882 119.800 0.141 0.000 2.002 47 Q HA -0.365 nan 4.340 nan 0.000 0.204 47 Q C 2.372 178.441 176.000 0.115 0.000 0.988 47 Q CA 3.400 59.273 55.803 0.117 0.000 0.843 47 Q CB -0.114 28.679 28.738 0.092 0.000 0.908 47 Q HN 0.318 8.547 8.270 0.116 0.111 0.420 48 A N -1.079 121.806 122.820 0.108 0.000 1.948 48 A HA -0.287 nan 4.320 nan 0.000 0.220 48 A C 1.859 179.498 177.584 0.091 0.000 1.177 48 A CA 2.923 54.957 52.037 -0.005 0.000 0.636 48 A CB -0.894 18.107 19.000 0.002 0.000 0.815 48 A HN -0.254 7.993 8.150 0.162 0.000 0.449 49 W N -0.561 120.734 121.300 -0.008 0.000 2.381 49 W HA -0.318 nan 4.660 nan 0.000 0.301 49 W C 0.946 177.265 176.519 -0.333 0.000 1.205 49 W CA 4.043 61.162 57.345 -0.376 0.000 1.285 49 W CB 0.260 29.464 29.460 -0.427 0.000 1.133 49 W HN -0.458 7.947 8.180 0.402 0.016 0.521 50 W N -1.022 120.197 121.300 -0.134 0.000 2.358 50 W HA -0.541 nan 4.660 nan 0.000 0.303 50 W C 1.640 177.783 176.519 -0.627 0.000 1.208 50 W CA 3.367 60.504 57.345 -0.347 0.000 1.274 50 W CB 0.291 29.621 29.460 -0.216 0.000 1.138 50 W HN -0.233 8.086 8.180 0.382 0.091 0.515 51 R N -1.327 118.937 120.500 -0.394 0.000 2.082 51 R HA -0.560 nan 4.340 nan 0.000 0.234 51 R C 1.694 177.773 176.300 -0.368 0.000 1.136 51 R CA 3.982 59.836 56.100 -0.410 0.000 0.935 51 R CB -0.280 29.883 30.300 -0.228 0.000 0.842 51 R HN 0.135 8.299 8.270 -0.176 0.000 0.430 52 R N -0.515 119.753 120.500 -0.387 0.000 2.113 52 R HA -0.332 nan 4.340 nan 0.000 0.231 52 R C 1.981 177.977 176.300 -0.506 0.000 1.129 52 R CA 2.549 58.416 56.100 -0.389 0.000 0.915 52 R CB -0.583 29.466 30.300 -0.419 0.000 0.837 52 R HN -0.196 7.862 8.270 -0.353 0.000 0.430 53 N N -3.811 114.388 118.700 -0.835 0.000 2.571 53 N HA -0.116 nan 4.740 nan 0.000 0.189 53 N C 0.754 175.862 175.510 -0.670 0.000 1.154 53 N CA 2.105 54.671 53.050 -0.807 0.000 0.907 53 N CB 0.735 38.439 38.487 -1.304 0.000 0.977 53 N HN -0.022 7.707 8.380 -1.084 0.000 0.449 54 V N -3.810 115.694 119.914 -0.685 0.000 3.177 54 V HA 0.141 nan 4.120 nan 0.000 0.219 54 V C 0.208 176.224 176.094 -0.130 0.000 1.344 54 V CA 1.185 63.158 62.300 -0.545 0.000 1.324 54 V CB 0.622 31.830 31.823 -1.024 0.000 1.165 54 V HN -0.214 7.499 8.190 -0.705 0.054 0.510 55 Y N -1.432 118.709 120.300 -0.265 0.000 2.133 55 Y HA -0.177 nan 4.550 nan 0.000 0.287 55 Y C 2.032 177.870 175.900 -0.103 0.000 1.134 55 Y CA 0.325 58.353 58.100 -0.119 0.000 1.133 55 Y CB -0.283 38.144 38.460 -0.055 0.000 0.987 55 Y HN -0.537 7.523 8.280 -0.367 0.000 0.502 56 E N -2.565 117.665 120.200 0.050 0.000 2.347 56 E HA -0.204 nan 4.350 nan 0.000 0.196 56 E C 0.563 177.151 176.600 -0.021 0.000 1.008 56 E CA 1.206 57.605 56.400 -0.002 0.000 0.852 56 E CB 0.117 29.792 29.700 -0.041 0.000 0.783 56 E HN -0.385 7.970 8.360 -0.009 0.000 0.505 57 R N -1.598 118.876 120.500 -0.045 0.000 2.531 57 R HA 0.046 nan 4.340 nan 0.000 0.260 57 R C -1.128 175.181 176.300 0.015 0.000 1.144 57 R CA 0.069 56.159 56.100 -0.016 0.000 1.171 57 R CB 0.963 31.249 30.300 -0.024 0.000 1.199 57 R HN -0.568 7.515 8.270 -0.077 0.141 0.594 58 D N -2.283 118.145 120.400 0.046 0.000 2.594 58 D HA 0.207 nan 4.640 nan 0.000 0.256 58 D C -1.063 175.279 176.300 0.069 0.000 1.393 58 D CA 0.703 54.731 54.000 0.047 0.000 0.797 58 D CB 0.817 41.643 40.800 0.044 0.000 1.110 58 D HN 0.368 8.779 8.370 0.069 0.000 0.495 59 D N -4.255 116.208 120.400 0.104 0.000 2.712 59 D HA 0.119 nan 4.640 nan 0.000 0.300 59 D C -1.793 174.609 176.300 0.170 0.000 1.521 59 D CA -0.144 53.940 54.000 0.141 0.000 0.790 59 D CB 0.695 41.611 40.800 0.194 0.000 1.155 59 D HN 0.016 8.447 8.370 0.102 0.000 0.456 60 M N -1.431 118.235 119.600 0.111 0.000 2.393 60 M HA 0.381 nan 4.480 nan 0.000 0.299 60 M C -1.690 174.634 176.300 0.039 0.000 1.103 60 M CA -0.120 55.228 55.300 0.079 0.000 0.910 60 M CB 4.003 36.591 32.600 -0.019 0.000 1.659 60 M HN -0.631 7.699 8.290 0.067 0.000 0.445 61 E N 5.353 125.607 120.200 0.090 0.000 2.207 61 E HA 0.395 nan 4.350 nan 0.000 0.270 61 E C -1.128 175.492 176.600 0.034 0.000 0.927 61 E CA -2.482 53.962 56.400 0.074 0.000 0.799 61 E CB 3.949 33.728 29.700 0.133 0.000 1.172 61 E HN 0.291 8.744 8.360 0.155 0.000 0.404 62 G N 0.552 109.400 108.800 0.079 0.000 2.502 62 G HA2 0.492 nan 3.960 nan 0.000 0.305 62 G HA3 0.492 nan 3.960 nan 0.000 0.305 62 G C -2.061 172.990 174.900 0.252 0.000 1.190 62 G CA -0.417 44.793 45.100 0.184 0.000 0.933 62 G HN 0.127 8.489 8.290 0.120 0.000 0.503 63 L N -1.966 119.452 121.223 0.324 0.000 2.838 63 L HA 0.292 nan 4.340 nan 0.000 0.266 63 L C -2.689 174.281 176.870 0.166 0.000 1.040 63 L CA 0.211 55.165 54.840 0.190 0.000 0.906 63 L CB 3.750 45.878 42.059 0.115 0.000 1.501 63 L HN -0.292 8.237 8.230 0.500 0.000 0.407 64 D N -0.595 119.852 120.400 0.079 0.000 2.474 64 D HA 0.108 nan 4.640 nan 0.000 0.234 64 D C -2.116 174.190 176.300 0.011 0.000 1.323 64 D CA 0.071 54.088 54.000 0.028 0.000 0.915 64 D CB 0.317 41.112 40.800 -0.008 0.000 1.487 64 D HN -0.117 8.294 8.370 0.068 0.000 0.524 65 A N 2.710 125.532 122.820 0.004 0.000 2.257 65 A HA 0.272 nan 4.320 nan 0.000 0.289 65 A C -0.587 176.993 177.584 -0.007 0.000 1.095 65 A CA -1.220 50.816 52.037 -0.000 0.000 0.836 65 A CB 1.845 20.843 19.000 -0.004 0.000 1.111 65 A HN -0.094 8.057 8.150 0.002 0.000 0.497 66 S N -1.879 113.818 115.700 -0.004 0.000 2.624 66 S HA 0.008 nan 4.470 nan 0.000 0.263 66 S C 1.327 175.926 174.600 -0.002 0.000 1.287 66 S CA -0.984 57.212 58.200 -0.006 0.000 0.990 66 S CB 1.295 64.492 63.200 -0.006 0.000 0.950 66 S HN -0.047 8.263 8.310 -0.001 0.000 0.561 67 V N -0.042 119.870 119.914 -0.004 0.000 2.488 67 V HA -0.125 nan 4.120 nan 0.000 0.246 67 V C 0.216 176.297 176.094 -0.022 0.000 1.046 67 V CA 1.866 64.166 62.300 0.001 0.000 1.053 67 V CB -0.229 31.588 31.823 -0.009 0.000 0.679 67 V HN 0.507 8.691 8.190 -0.010 0.000 0.458 68 L N -1.667 119.539 121.223 -0.029 0.000 2.410 68 L HA 0.041 nan 4.340 nan 0.000 0.273 68 L C -0.517 176.375 176.870 0.035 0.000 1.144 68 L CA 0.472 55.304 54.840 -0.014 0.000 0.863 68 L CB -0.247 41.799 42.059 -0.023 0.000 1.140 68 L HN -0.523 7.688 8.230 -0.030 0.000 0.463 69 T N 6.279 120.877 114.554 0.073 0.000 2.812 69 T HA 0.332 nan 4.350 nan 0.000 0.282 69 T C -1.228 173.580 174.700 0.179 0.000 0.990 69 T CA -1.157 61.014 62.100 0.119 0.000 0.960 69 T CB 1.653 70.584 68.868 0.105 0.000 0.948 69 T HN 0.549 8.833 8.240 0.073 0.000 0.438 70 H N 5.972 125.088 119.070 0.077 0.000 3.070 70 H HA -0.160 nan 4.556 nan 0.000 0.313 70 H C 0.888 176.298 175.328 0.137 0.000 0.997 70 H CA 0.970 57.065 56.048 0.078 0.000 1.438 70 H CB 1.070 30.863 29.762 0.052 0.000 1.455 70 H HN 0.554 8.983 8.280 0.248 0.000 0.575 71 R N 7.064 127.446 120.500 -0.197 0.000 2.165 71 R HA -0.449 nan 4.340 nan 0.000 0.254 71 R C 1.755 178.040 176.300 -0.025 0.000 1.153 71 R CA 3.747 59.845 56.100 -0.004 0.000 0.971 71 R CB -0.172 30.060 30.300 -0.113 0.000 0.878 71 R HN 0.364 8.464 8.270 -0.284 0.000 0.449 72 L N -2.844 118.272 121.223 -0.179 0.000 2.046 72 L HA -0.336 nan 4.340 nan 0.000 0.208 72 L C 1.807 178.843 176.870 0.276 0.000 1.077 72 L CA 2.670 57.531 54.840 0.036 0.000 0.747 72 L CB -0.341 41.782 42.059 0.106 0.000 0.896 72 L HN -0.548 7.328 8.230 -0.564 0.016 0.432 73 V N -0.320 119.769 119.914 0.292 0.000 2.231 73 V HA -0.536 nan 4.120 nan 0.000 0.250 73 V C 2.261 178.567 176.094 0.353 0.000 1.058 73 V CA 4.139 66.641 62.300 0.335 0.000 1.022 73 V CB -0.840 31.099 31.823 0.192 0.000 0.640 73 V HN -0.316 8.026 8.190 0.254 0.000 0.445 74 L N -5.125 116.202 121.223 0.173 0.000 2.456 74 L HA -0.324 nan 4.340 nan 0.000 0.224 74 L C 1.610 178.544 176.870 0.107 0.000 1.148 74 L CA 2.043 56.927 54.840 0.073 0.000 0.825 74 L CB -0.954 40.987 42.059 -0.197 0.000 0.937 74 L HN -0.279 8.031 8.230 0.134 0.000 0.450 75 H N 1.745 120.819 119.070 0.006 0.000 2.294 75 H HA -0.216 nan 4.556 nan 0.000 0.306 75 H C 2.586 177.877 175.328 -0.062 0.000 1.065 75 H CA 4.052 60.048 56.048 -0.086 0.000 1.343 75 H CB 0.220 29.845 29.762 -0.229 0.000 1.396 75 H HN -0.363 7.852 8.280 0.213 0.193 0.506 76 Y N -0.760 119.559 120.300 0.032 0.000 2.497 76 Y HA -0.243 nan 4.550 nan 0.000 0.292 76 Y C 1.181 177.006 175.900 -0.125 0.000 1.137 76 Y CA 2.281 60.324 58.100 -0.094 0.000 1.285 76 Y CB -0.590 37.918 38.460 0.080 0.000 0.991 76 Y HN 0.037 8.449 8.280 0.220 0.000 0.556 77 S N -4.227 111.566 115.700 0.155 0.000 2.555 77 S HA -0.277 nan 4.470 nan 0.000 0.230 77 S C 1.274 175.972 174.600 0.163 0.000 0.978 77 S CA 1.357 59.668 58.200 0.186 0.000 0.934 77 S CB 0.168 63.608 63.200 0.401 0.000 0.766 77 S HN -0.693 7.716 8.310 0.245 0.048 0.533 78 G N 0.274 109.117 108.800 0.072 0.000 2.267 78 G HA2 -0.371 nan 3.960 nan 0.000 0.257 78 G HA3 -0.371 nan 3.960 nan 0.000 0.257 78 G C 0.581 175.467 174.900 -0.024 0.000 0.998 78 G CA 1.026 46.138 45.100 0.020 0.000 0.620 78 G HN -0.253 7.829 8.290 0.004 0.210 0.529 79 H N 2.759 121.836 119.070 0.011 0.000 2.426 79 H HA -0.309 nan 4.556 nan 0.000 0.298 79 H C 0.901 176.269 175.328 0.067 0.000 1.107 79 H CA 4.218 60.289 56.048 0.039 0.000 1.298 79 H CB -0.369 29.416 29.762 0.038 0.000 1.377 79 H HN -0.483 7.830 8.280 0.224 0.101 0.519 80 E N -2.539 117.733 120.200 0.121 0.000 2.017 80 E HA -0.260 nan 4.350 nan 0.000 0.193 80 E C 1.325 177.991 176.600 0.109 0.000 0.997 80 E CA 2.652 59.128 56.400 0.125 0.000 0.804 80 E CB 0.277 30.045 29.700 0.112 0.000 0.757 80 E HN -0.528 7.866 8.360 0.087 0.018 0.448 81 A N -1.552 121.273 122.820 0.009 0.000 1.971 81 A HA -0.329 nan 4.320 nan 0.000 0.222 81 A C 2.296 179.802 177.584 -0.130 0.000 1.182 81 A CA 2.758 54.774 52.037 -0.035 0.000 0.649 81 A CB -0.773 18.194 19.000 -0.055 0.000 0.818 81 A HN 0.426 8.568 8.150 -0.013 0.000 0.458 82 T N -3.395 110.959 114.554 -0.334 0.000 2.996 82 T HA -0.225 nan 4.350 nan 0.000 0.271 82 T C 0.633 174.757 174.700 -0.961 0.000 1.126 82 T CA 2.628 64.275 62.100 -0.755 0.000 1.103 82 T CB -0.453 67.688 68.868 -1.212 0.000 0.870 82 T HN -0.603 7.449 8.240 -0.263 0.031 0.528 83 F N -0.802 119.208 119.950 0.100 0.000 2.627 83 F HA 0.194 nan 4.527 nan 0.000 0.344 83 F C -1.433 174.461 175.800 0.157 0.000 1.505 83 F CA -1.275 56.812 58.000 0.144 0.000 1.111 83 F CB 0.514 39.603 39.000 0.149 0.000 1.585 83 F HN -0.331 7.748 8.300 -0.076 0.176 0.582 84 A N -1.119 121.853 122.820 0.253 0.000 2.610 84 A HA 0.114 nan 4.320 nan 0.000 0.291 84 A C -1.410 176.362 177.584 0.312 0.000 1.116 84 A CA 0.240 52.435 52.037 0.264 0.000 0.963 84 A CB 1.221 20.306 19.000 0.141 0.000 1.220 84 A HN -0.512 7.731 8.150 0.154 0.000 0.530 85 D N -2.590 117.985 120.400 0.291 0.000 2.481 85 D HA 0.352 nan 4.640 nan 0.000 0.246 85 D C -2.788 173.556 176.300 0.072 0.000 1.109 85 D CA -3.432 50.655 54.000 0.146 0.000 0.845 85 D CB 1.082 41.937 40.800 0.091 0.000 1.160 85 D HN -0.351 8.129 8.370 0.330 0.088 0.534 86 P HA 0.183 nan 4.420 nan 0.000 0.279 86 P C -1.170 176.026 177.300 -0.173 0.000 1.252 86 P CA -0.821 62.033 63.100 -0.411 0.000 0.811 86 P CB 1.002 32.281 31.700 -0.700 0.000 1.035 87 M N 1.335 120.829 119.600 -0.177 0.000 2.078 87 M HA 0.238 nan 4.480 nan 0.000 0.320 87 M C -0.795 175.469 176.300 -0.060 0.000 0.969 87 M CA -2.632 52.621 55.300 -0.078 0.000 0.929 87 M CB 0.353 32.927 32.600 -0.042 0.000 1.504 87 M HN -0.134 7.939 8.290 -0.271 0.055 0.419 88 V N 5.387 125.328 119.914 0.046 0.000 2.221 88 V HA 0.130 nan 4.120 nan 0.000 0.258 88 V C -0.475 175.687 176.094 0.114 0.000 1.179 88 V CA -1.225 61.188 62.300 0.188 0.000 1.022 88 V CB -2.066 30.007 31.823 0.415 0.000 1.228 88 V HN 0.519 8.750 8.190 0.068 0.000 0.487 89 D N 4.762 125.153 120.400 -0.016 0.000 2.243 89 D HA -0.144 nan 4.640 nan 0.000 0.237 89 D C -1.349 174.720 176.300 -0.385 0.000 1.364 89 D CA 1.107 55.014 54.000 -0.155 0.000 0.927 89 D CB 0.912 41.673 40.800 -0.066 0.000 1.216 89 D HN -0.349 8.023 8.370 0.004 0.000 0.517 90 N N -2.988 115.458 118.700 -0.423 0.000 3.356 90 N HA -0.090 nan 4.740 nan 0.000 0.246 90 N C -2.109 173.198 175.510 -0.337 0.000 1.480 90 N CA -0.346 52.332 53.050 -0.620 0.000 0.877 90 N CB 2.011 39.693 38.487 -1.341 0.000 1.431 90 N HN -0.112 8.098 8.380 -0.283 0.000 0.500 91 A N -1.348 121.307 122.820 -0.275 0.000 2.376 91 A HA 0.016 nan 4.320 nan 0.000 0.298 91 A C -0.673 176.825 177.584 -0.144 0.000 1.271 91 A CA 0.733 52.682 52.037 -0.146 0.000 0.926 91 A CB -1.166 17.786 19.000 -0.079 0.000 1.141 91 A HN 0.276 8.232 8.150 -0.324 0.000 0.539 92 K N 1.273 121.603 120.400 -0.117 0.000 5.910 92 K HA -0.349 nan 4.320 nan 0.000 0.496 92 K C -1.537 174.988 176.600 -0.125 0.000 1.222 92 K CA 0.223 56.453 56.287 -0.095 0.000 1.422 92 K CB -2.057 30.403 32.500 -0.067 0.000 1.780 92 K HN 0.587 8.774 8.250 -0.105 0.000 0.384 93 A N 0.628 123.369 122.820 -0.132 0.000 2.716 93 A HA 0.004 nan 4.320 nan 0.000 0.266 93 A C -1.788 175.709 177.584 -0.145 0.000 1.015 93 A CA 0.148 52.098 52.037 -0.145 0.000 0.536 93 A CB 0.844 19.718 19.000 -0.210 0.000 1.635 93 A HN 0.250 8.331 8.150 -0.114 0.000 0.783 94 R N -1.538 118.866 120.500 -0.159 0.000 2.835 94 R HA 0.262 nan 4.340 nan 0.000 0.271 94 R C -0.598 175.634 176.300 -0.113 0.000 1.013 94 R CA -0.706 55.324 56.100 -0.116 0.000 0.876 94 R CB 1.021 31.293 30.300 -0.047 0.000 1.348 94 R HN -0.089 8.076 8.270 -0.176 0.000 0.453 160 T N 4.703 119.321 114.554 0.106 0.000 2.779 160 T HA 0.139 nan 4.350 nan 0.000 0.296 160 T C -1.759 172.989 174.700 0.079 0.000 0.938 160 T CA -0.947 61.199 62.100 0.077 0.000 1.119 160 T CB 0.729 69.618 68.868 0.036 0.000 0.891 160 T HN -0.131 8.093 8.240 0.006 0.020 0.526 161 P HA -0.152 nan 4.420 nan 0.000 0.266 161 P C -2.203 175.071 177.300 -0.045 0.000 1.162 161 P CA -0.838 62.271 63.100 0.017 0.000 0.758 161 P CB -0.258 31.444 31.700 0.004 0.000 0.774 162 P HA -0.173 nan 4.420 nan 0.000 0.247 162 P C -1.253 175.890 177.300 -0.262 0.000 1.147 162 P CA 0.669 63.667 63.100 -0.169 0.000 0.964 162 P CB -0.377 31.213 31.700 -0.182 0.000 0.944 163 R N 4.279 124.558 120.500 -0.368 0.000 2.275 163 R HA 0.258 nan 4.340 nan 0.000 0.326 163 R C -1.036 174.938 176.300 -0.544 0.000 0.973 163 R CA -2.371 53.366 56.100 -0.605 0.000 0.854 163 R CB 0.823 30.430 30.300 -1.154 0.000 1.156 163 R HN 0.195 8.172 8.270 -0.319 0.102 0.487 164 Y N 3.398 123.532 120.300 -0.278 0.000 2.674 164 Y HA -0.202 nan 4.550 nan 0.000 0.354 164 Y C 0.175 176.046 175.900 -0.047 0.000 1.089 164 Y CA -0.051 58.003 58.100 -0.076 0.000 1.444 164 Y CB -0.476 37.995 38.460 0.018 0.000 1.187 164 Y HN 0.327 8.592 8.280 -0.025 0.000 0.523 165 F N 6.022 126.109 119.950 0.228 0.000 2.659 165 F HA -0.066 nan 4.527 nan 0.000 0.360 165 F C -0.466 175.335 175.800 0.002 0.000 1.218 165 F CA -1.966 56.105 58.000 0.118 0.000 1.317 165 F CB -2.130 36.928 39.000 0.095 0.000 1.697 165 F HN -0.235 8.211 8.300 0.243 0.000 0.637 166 N N 0.560 119.283 118.700 0.039 0.000 2.458 166 N HA -0.110 nan 4.740 nan 0.000 0.258 166 N C -0.052 175.045 175.510 -0.689 0.000 1.219 166 N CA 0.658 53.292 53.050 -0.693 0.000 0.902 166 N CB 0.986 39.286 38.487 -0.312 0.000 1.076 166 N HN -0.341 8.079 8.380 0.169 0.061 0.455 167 M N 2.603 121.512 119.600 -1.152 0.000 2.510 167 M HA 0.085 nan 4.480 nan 0.000 0.256 167 M C -0.272 175.894 176.300 -0.223 0.000 1.132 167 M CA 0.358 55.397 55.300 -0.434 0.000 1.105 167 M CB -0.227 32.303 32.600 -0.116 0.000 1.375 167 M HN 0.286 6.979 8.290 -2.660 0.000 0.477 168 M N -0.706 118.771 119.600 -0.204 0.000 2.162 168 M HA 0.146 nan 4.480 nan 0.000 0.356 168 M C -0.780 175.632 176.300 0.185 0.000 1.303 168 M CA 0.327 55.691 55.300 0.107 0.000 1.116 168 M CB 0.071 32.752 32.600 0.135 0.000 1.632 168 M HN -0.677 7.618 8.290 -0.469 -0.286 0.469 169 F N 2.556 122.583 119.950 0.129 0.000 2.539 169 F HA -0.145 nan 4.527 nan 0.000 0.340 169 F C 0.098 175.923 175.800 0.041 0.000 1.185 169 F CA 1.124 59.166 58.000 0.070 0.000 1.333 169 F CB 1.072 40.094 39.000 0.035 0.000 1.152 169 F HN 0.181 8.852 8.300 0.619 0.000 0.602 170 Q N 2.356 122.238 119.800 0.136 0.000 2.372 170 Q HA 0.543 nan 4.340 nan 0.000 0.273 170 Q C -1.809 174.132 176.000 -0.098 0.000 1.078 170 Q CA -0.849 54.885 55.803 -0.114 0.000 0.806 170 Q CB 3.600 32.227 28.738 -0.186 0.000 1.332 170 Q HN -0.099 8.283 8.270 0.187 0.000 0.435 171 D N 3.317 123.611 120.400 -0.176 0.000 2.599 171 D HA 0.328 nan 4.640 nan 0.000 0.252 171 D C -2.638 173.580 176.300 -0.137 0.000 1.232 171 D CA -0.544 53.382 54.000 -0.123 0.000 0.819 171 D CB 4.048 44.785 40.800 -0.104 0.000 1.401 171 D HN 0.341 8.542 8.370 -0.282 0.000 0.429 172 L N -1.394 119.772 121.223 -0.096 0.000 2.342 172 L HA 0.440 nan 4.340 nan 0.000 0.271 172 L C -0.982 175.853 176.870 -0.058 0.000 1.008 172 L CA -1.170 53.621 54.840 -0.083 0.000 0.818 172 L CB 2.673 44.690 42.059 -0.070 0.000 1.296 172 L HN 0.044 8.227 8.230 -0.079 0.000 0.427 173 R N 2.719 123.192 120.500 -0.045 0.000 2.893 173 R HA -0.013 nan 4.340 nan 0.000 0.243 173 R C 0.395 176.682 176.300 -0.022 0.000 1.481 173 R CA -0.936 55.148 56.100 -0.027 0.000 1.250 173 R CB -1.624 28.670 30.300 -0.009 0.000 1.213 173 R HN 0.519 8.617 8.270 -0.049 0.143 0.609 174 G N 7.747 116.533 108.800 -0.024 0.000 2.697 174 G HA2 -0.349 nan 3.960 nan 0.000 0.240 174 G HA3 -0.349 nan 3.960 nan 0.000 0.240 174 G C -1.957 172.932 174.900 -0.019 0.000 1.346 174 G CA -0.828 44.260 45.100 -0.019 0.000 0.887 174 G HN -0.504 7.769 8.290 -0.029 0.000 0.569 175 P HA -0.358 nan 4.420 nan 0.000 0.273 175 P C -1.054 176.237 177.300 -0.016 0.000 0.805 175 P CA 1.619 64.710 63.100 -0.014 0.000 0.999 175 P CB 0.181 31.874 31.700 -0.012 0.000 0.888 176 R N -3.374 117.115 120.500 -0.018 0.000 2.855 176 R HA 0.231 nan 4.340 nan 0.000 0.266 176 R C 0.234 176.519 176.300 -0.026 0.000 1.034 176 R CA -1.127 54.961 56.100 -0.020 0.000 0.944 176 R CB 1.760 32.051 30.300 -0.016 0.000 1.219 176 R HN 0.024 8.283 8.270 -0.018 0.000 0.474 177 G N 1.316 110.099 108.800 -0.028 0.000 3.090 177 G HA2 -0.020 nan 3.960 nan 0.000 0.259 177 G HA3 -0.020 nan 3.960 nan 0.000 0.259 177 G C -0.510 174.367 174.900 -0.038 0.000 0.797 177 G CA -0.052 45.026 45.100 -0.036 0.000 2.032 177 G HN 0.305 8.581 8.290 -0.023 0.000 0.614 178 G N 0.862 109.639 108.800 -0.039 0.000 2.389 178 G HA2 0.206 nan 3.960 nan 0.000 0.317 178 G HA3 0.206 nan 3.960 nan 0.000 0.317 178 G C -0.072 174.797 174.900 -0.051 0.000 1.137 178 G CA -1.387 43.690 45.100 -0.037 0.000 0.870 178 G HN -0.351 7.859 8.290 -0.038 0.058 0.496 179 R N 1.936 122.406 120.500 -0.050 0.000 2.241 179 R HA -0.230 nan 4.340 nan 0.000 0.224 179 R C 2.018 178.279 176.300 -0.065 0.000 1.101 179 R CA 0.994 57.056 56.100 -0.064 0.000 0.995 179 R CB -0.607 29.661 30.300 -0.054 0.000 0.870 179 R HN 0.438 8.684 8.270 -0.041 0.000 0.463 180 G N -2.828 105.944 108.800 -0.046 0.000 2.404 180 G HA2 -0.171 nan 3.960 nan 0.000 0.215 180 G HA3 -0.171 nan 3.960 nan 0.000 0.215 180 G C 0.211 175.090 174.900 -0.036 0.000 1.174 180 G CA 1.124 46.203 45.100 -0.036 0.000 0.780 180 G HN -0.030 8.194 8.290 -0.039 0.043 0.537 181 L N 1.626 122.826 121.223 -0.038 0.000 2.589 181 L HA 0.275 nan 4.340 nan 0.000 0.244 181 L C -1.795 175.035 176.870 -0.067 0.000 1.159 181 L CA -1.357 53.463 54.840 -0.033 0.000 1.074 181 L CB -1.262 40.785 42.059 -0.020 0.000 1.391 181 L HN -0.574 7.547 8.230 -0.040 0.085 0.423 182 L N 2.334 123.497 121.223 -0.100 0.000 2.333 182 L HA 0.796 nan 4.340 nan 0.000 0.269 182 L C -2.320 174.447 176.870 -0.171 0.000 1.010 182 L CA -1.372 53.368 54.840 -0.168 0.000 0.818 182 L CB 4.188 46.125 42.059 -0.204 0.000 1.306 182 L HN -0.594 7.531 8.230 -0.096 0.048 0.430 183 A N 1.190 123.869 122.820 -0.234 0.000 2.566 183 A HA 0.568 nan 4.320 nan 0.000 0.297 183 A C -2.454 175.013 177.584 -0.196 0.000 1.059 183 A CA -0.157 51.805 52.037 -0.125 0.000 0.691 183 A CB 3.138 22.121 19.000 -0.029 0.000 1.282 183 A HN 0.665 8.635 8.150 -0.300 0.000 0.401 184 Y N -0.773 119.519 120.300 -0.014 0.000 2.488 184 Y HA 0.503 nan 4.550 nan 0.000 0.325 184 Y C -0.759 175.129 175.900 -0.019 0.000 1.204 184 Y CA -1.868 56.233 58.100 0.002 0.000 1.229 184 Y CB 2.858 41.331 38.460 0.023 0.000 1.274 184 Y HN 0.103 8.583 8.280 0.332 0.000 0.493 185 L N 0.559 121.870 121.223 0.147 0.000 2.276 185 L HA 0.298 nan 4.340 nan 0.000 0.286 185 L C -0.540 176.404 176.870 0.122 0.000 1.061 185 L CA -0.911 53.931 54.840 0.003 0.000 0.807 185 L CB -0.098 41.809 42.059 -0.252 0.000 1.177 185 L HN -0.366 7.996 8.230 0.221 0.000 0.429 186 R N 2.839 123.389 120.500 0.083 0.000 2.501 186 R HA -0.123 nan 4.340 nan 0.000 0.319 186 R C -0.267 176.071 176.300 0.063 0.000 0.913 186 R CA -0.474 55.655 56.100 0.047 0.000 1.104 186 R CB -0.834 29.475 30.300 0.014 0.000 0.901 186 R HN 0.075 8.376 8.270 0.052 0.000 0.407 187 P HA -0.090 nan 4.420 nan 0.000 0.230 187 P C -1.696 175.639 177.300 0.059 0.000 1.158 187 P CA 1.339 64.498 63.100 0.098 0.000 0.769 187 P CB -0.118 31.626 31.700 0.072 0.000 0.807 188 E N -7.054 113.130 120.200 -0.027 0.000 2.375 188 E HA 0.247 nan 4.350 nan 0.000 0.280 188 E C 0.097 176.661 176.600 -0.061 0.000 0.972 188 E CA -1.105 55.278 56.400 -0.028 0.000 0.782 188 E CB 2.302 32.025 29.700 0.039 0.000 1.229 188 E HN -0.933 7.328 8.360 -0.061 0.062 0.439 189 T N -3.348 111.155 114.554 -0.085 0.000 2.821 189 T HA -0.216 nan 4.350 nan 0.000 0.267 189 T C 1.673 176.313 174.700 -0.101 0.000 1.046 189 T CA 3.526 65.571 62.100 -0.092 0.000 1.139 189 T CB -0.456 68.345 68.868 -0.112 0.000 0.871 189 T HN 0.353 8.903 8.240 -0.095 -0.367 0.454 190 A N 1.485 124.244 122.820 -0.102 0.000 1.923 190 A HA -0.405 nan 4.320 nan 0.000 0.222 190 A C 2.560 179.992 177.584 -0.254 0.000 1.258 190 A CA 3.098 55.029 52.037 -0.177 0.000 0.670 190 A CB -1.165 17.854 19.000 0.031 0.000 0.834 190 A HN -0.288 7.921 8.150 -0.074 -0.103 0.470 191 Q N -1.872 117.965 119.800 0.061 0.000 2.112 191 Q HA -0.363 nan 4.340 nan 0.000 0.206 191 Q C 2.592 178.612 176.000 0.033 0.000 0.987 191 Q CA 2.446 58.382 55.803 0.222 0.000 0.858 191 Q CB -0.558 28.294 28.738 0.190 0.000 0.905 191 Q HN -0.066 8.240 8.270 0.061 0.000 0.420 192 G N -1.680 107.096 108.800 -0.041 0.000 2.475 192 G HA2 -0.282 nan 3.960 nan 0.000 0.220 192 G HA3 -0.282 nan 3.960 nan 0.000 0.220 192 G C 1.261 176.123 174.900 -0.063 0.000 1.125 192 G CA 2.069 47.145 45.100 -0.040 0.000 0.755 192 G HN -0.079 8.175 8.290 -0.044 0.010 0.565 193 I N 1.233 121.687 120.570 -0.192 0.000 2.235 193 I HA -0.396 nan 4.170 nan 0.000 0.241 193 I C 2.132 178.230 176.117 -0.032 0.000 1.085 193 I CA 2.892 64.092 61.300 -0.168 0.000 1.378 193 I CB -0.072 37.735 38.000 -0.322 0.000 1.076 193 I HN -0.542 7.353 8.210 -0.298 0.137 0.415 194 F N -0.950 119.115 119.950 0.192 0.000 2.065 194 F HA -0.365 nan 4.527 nan 0.000 0.298 194 F C 2.680 178.549 175.800 0.115 0.000 1.112 194 F CA 3.611 61.722 58.000 0.185 0.000 1.212 194 F CB -1.415 37.697 39.000 0.187 0.000 0.975 194 F HN -0.713 7.086 8.300 -0.835 0.000 0.476 195 V N -5.350 114.664 119.914 0.166 0.000 2.720 195 V HA -0.303 nan 4.120 nan 0.000 0.256 195 V C 0.878 177.025 176.094 0.088 0.000 1.082 195 V CA 2.897 65.219 62.300 0.036 0.000 1.101 195 V CB -1.479 30.303 31.823 -0.068 0.000 0.693 195 V HN -0.220 8.058 8.190 0.146 0.000 0.479 196 N N -1.710 117.057 118.700 0.111 0.000 2.280 196 N HA 0.191 nan 4.740 nan 0.000 0.192 196 N C 0.563 176.150 175.510 0.128 0.000 1.109 196 N CA -0.165 52.941 53.050 0.093 0.000 0.855 196 N CB 0.557 39.082 38.487 0.063 0.000 0.974 196 N HN -0.464 7.840 8.380 0.113 0.144 0.482 197 F N 3.774 123.750 119.950 0.042 0.000 2.045 197 F HA -0.554 nan 4.527 nan 0.000 0.297 197 F C 1.073 176.886 175.800 0.022 0.000 1.114 197 F CA 4.739 62.741 58.000 0.003 0.000 1.207 197 F CB 0.007 38.935 39.000 -0.119 0.000 0.964 197 F HN -0.111 8.188 8.300 0.326 0.196 0.486 198 K N -1.808 118.580 120.400 -0.021 0.000 2.057 198 K HA -0.437 nan 4.320 nan 0.000 0.207 198 K C 2.396 178.928 176.600 -0.114 0.000 1.049 198 K CA 3.409 59.632 56.287 -0.107 0.000 0.931 198 K CB -0.867 31.645 32.500 0.019 0.000 0.714 198 K HN 0.223 8.579 8.250 0.177 0.000 0.440 199 N N -0.101 118.571 118.700 -0.047 0.000 2.104 199 N HA -0.280 nan 4.740 nan 0.000 0.190 199 N C 2.617 178.092 175.510 -0.057 0.000 1.024 199 N CA 3.036 56.064 53.050 -0.037 0.000 0.853 199 N CB -0.252 38.232 38.487 -0.005 0.000 1.008 199 N HN -0.098 8.279 8.380 -0.005 0.000 0.424 200 V N 1.050 120.925 119.914 -0.065 0.000 2.379 200 V HA -0.299 nan 4.120 nan 0.000 0.245 200 V C 1.756 177.772 176.094 -0.129 0.000 1.044 200 V CA 4.247 66.516 62.300 -0.052 0.000 1.036 200 V CB -0.418 31.428 31.823 0.038 0.000 0.664 200 V HN 0.157 8.232 8.190 -0.059 0.080 0.453 201 L N -0.617 120.456 121.223 -0.249 0.000 2.043 201 L HA -0.523 nan 4.340 nan 0.000 0.212 201 L C 1.818 178.574 176.870 -0.190 0.000 1.075 201 L CA 3.743 58.408 54.840 -0.291 0.000 0.752 201 L CB -0.418 41.390 42.059 -0.419 0.000 0.891 201 L HN 0.261 8.291 8.230 -0.333 0.000 0.432 202 D N -0.077 120.239 120.400 -0.140 0.000 2.078 202 D HA -0.314 nan 4.640 nan 0.000 0.193 202 D C 2.038 178.289 176.300 -0.082 0.000 0.990 202 D CA 3.151 57.095 54.000 -0.093 0.000 0.827 202 D CB -0.568 40.194 40.800 -0.064 0.000 0.975 202 D HN 0.165 8.441 8.370 -0.146 0.006 0.451 203 A N -2.173 120.604 122.820 -0.072 0.000 2.067 203 A HA -0.144 nan 4.320 nan 0.000 0.219 203 A C 1.495 179.039 177.584 -0.067 0.000 1.158 203 A CA 2.149 54.152 52.037 -0.056 0.000 0.661 203 A CB 0.171 19.150 19.000 -0.036 0.000 0.801 203 A HN -0.371 7.736 8.150 -0.071 0.000 0.452 204 T N -7.515 106.979 114.554 -0.099 0.000 3.045 204 T HA 0.096 nan 4.350 nan 0.000 0.239 204 T C 0.740 175.354 174.700 -0.143 0.000 1.008 204 T CA -0.300 61.729 62.100 -0.119 0.000 1.143 204 T CB 1.199 69.971 68.868 -0.160 0.000 0.894 204 T HN -0.441 7.692 8.240 -0.115 0.037 0.451 205 S N 0.304 115.899 115.700 -0.175 0.000 3.968 205 S HA -0.389 nan 4.470 nan 0.000 0.373 205 S C -0.602 173.877 174.600 -0.201 0.000 0.974 205 S CA 0.258 58.360 58.200 -0.163 0.000 1.124 205 S CB -0.911 62.222 63.200 -0.111 0.000 0.862 205 S HN 0.324 8.413 8.310 -0.188 0.108 0.492 206 R N 0.961 121.251 120.500 -0.350 0.000 2.539 206 R HA -0.005 nan 4.340 nan 0.000 0.275 206 R C -0.850 175.326 176.300 -0.206 0.000 1.077 206 R CA -0.375 55.434 56.100 -0.486 0.000 1.097 206 R CB 0.410 29.899 30.300 -1.351 0.000 1.018 206 R HN -0.542 7.484 8.270 -0.406 0.000 0.483 207 K N 0.876 121.230 120.400 -0.077 0.000 2.087 207 K HA 0.176 nan 4.320 nan 0.000 0.255 207 K C 0.230 176.950 176.600 0.199 0.000 0.988 207 K CA -1.475 54.910 56.287 0.163 0.000 0.915 207 K CB 0.444 33.014 32.500 0.117 0.000 1.043 207 K HN 0.055 8.222 8.250 -0.138 0.000 0.457 208 L N 0.924 122.260 121.223 0.189 0.000 1.951 208 L HA -0.296 nan 4.340 nan 0.000 0.222 208 L C 0.832 177.790 176.870 0.148 0.000 1.078 208 L CA 2.745 57.597 54.840 0.020 0.000 0.778 208 L CB 0.006 41.861 42.059 -0.339 0.000 0.893 208 L HN 0.145 8.578 8.230 0.339 0.000 0.436 209 G N -4.110 104.772 108.800 0.136 0.000 2.515 209 G HA2 -0.247 nan 3.960 nan 0.000 0.290 209 G HA3 -0.247 nan 3.960 nan 0.000 0.290 209 G C -1.377 173.518 174.900 -0.009 0.000 0.795 209 G CA 0.416 45.550 45.100 0.056 0.000 1.866 209 G HN -0.107 8.284 8.290 0.170 0.000 0.476 210 F N 3.348 122.987 119.950 -0.519 0.000 2.725 210 F HA 0.194 nan 4.527 nan 0.000 0.309 210 F C -2.691 172.713 175.800 -0.660 0.000 1.132 210 F CA -1.030 56.662 58.000 -0.513 0.000 0.957 210 F CB 2.142 41.053 39.000 -0.149 0.000 1.286 210 F HN -0.276 7.739 8.300 -0.483 -0.004 0.440 211 G N -0.213 108.191 108.800 -0.661 0.000 2.696 211 G HA2 0.609 nan 3.960 nan 0.000 0.295 211 G HA3 0.609 nan 3.960 nan 0.000 0.295 211 G C -2.714 172.040 174.900 -0.244 0.000 1.398 211 G CA -0.999 43.637 45.100 -0.773 0.000 0.920 211 G HN 0.772 8.978 8.290 -0.139 0.000 0.492 212 I N 0.839 121.252 120.570 -0.262 0.000 2.385 212 I HA 0.590 nan 4.170 nan 0.000 0.294 212 I C -2.044 173.990 176.117 -0.137 0.000 0.988 212 I CA -0.987 60.295 61.300 -0.031 0.000 1.265 212 I CB 1.908 39.977 38.000 0.115 0.000 1.388 212 I HN -0.410 7.461 8.210 -0.565 0.000 0.480 213 A N 5.930 128.697 122.820 -0.088 0.000 2.427 213 A HA 0.889 nan 4.320 nan 0.000 0.298 213 A C -2.584 175.073 177.584 0.120 0.000 1.036 213 A CA -1.076 50.929 52.037 -0.055 0.000 0.701 213 A CB 3.068 21.973 19.000 -0.159 0.000 1.250 213 A HN 0.873 8.988 8.150 -0.058 0.000 0.412 214 Q N 0.872 120.787 119.800 0.191 0.000 2.456 214 Q HA 0.796 nan 4.340 nan 0.000 0.283 214 Q C -2.098 173.980 176.000 0.130 0.000 1.084 214 Q CA -1.707 54.269 55.803 0.288 0.000 0.801 214 Q CB 4.140 32.959 28.738 0.136 0.000 1.434 214 Q HN 0.520 8.849 8.270 0.098 0.000 0.419 215 I N -0.088 120.551 120.570 0.116 0.000 2.562 215 I HA 0.715 nan 4.170 nan 0.000 0.301 215 I C -0.398 175.657 176.117 -0.103 0.000 1.003 215 I CA -1.439 59.794 61.300 -0.113 0.000 1.127 215 I CB 2.652 40.595 38.000 -0.096 0.000 1.304 215 I HN 0.556 8.897 8.210 0.218 0.000 0.446 216 G N 3.008 111.717 108.800 -0.153 0.000 2.451 216 G HA2 0.172 nan 3.960 nan 0.000 0.292 216 G HA3 0.172 nan 3.960 nan 0.000 0.292 216 G C -2.726 172.059 174.900 -0.190 0.000 1.427 216 G CA -0.178 44.840 45.100 -0.137 0.000 0.792 216 G HN 0.402 8.575 8.290 -0.194 0.000 0.498 217 K N -0.677 119.623 120.400 -0.166 0.000 2.202 217 K HA 0.646 nan 4.320 nan 0.000 0.264 217 K C -1.415 174.979 176.600 -0.342 0.000 1.010 217 K CA -0.694 55.432 56.287 -0.267 0.000 0.940 217 K CB 1.703 34.146 32.500 -0.095 0.000 0.983 217 K HN 0.312 8.501 8.250 -0.102 0.000 0.475 218 A N 1.058 123.436 122.820 -0.737 0.000 2.465 218 A HA 0.553 nan 4.320 nan 0.000 0.292 218 A C -2.545 174.434 177.584 -1.008 0.000 1.041 218 A CA -0.282 51.308 52.037 -0.744 0.000 0.718 218 A CB 3.060 21.435 19.000 -1.042 0.000 1.266 218 A HN 0.923 8.466 8.150 -1.011 0.000 0.403 219 F N 2.416 122.200 119.950 -0.278 0.000 2.495 219 F HA 0.740 nan 4.527 nan 0.000 0.327 219 F C -0.528 175.462 175.800 0.316 0.000 1.103 219 F CA -1.401 56.585 58.000 -0.023 0.000 0.949 219 F CB 3.036 41.913 39.000 -0.205 0.000 1.142 219 F HN -0.094 8.330 8.300 0.206 0.000 0.457 220 R N 0.484 121.406 120.500 0.704 0.000 2.510 220 R HA 0.137 nan 4.340 nan 0.000 0.287 220 R C 0.014 176.628 176.300 0.523 0.000 1.084 220 R CA -1.040 55.408 56.100 0.579 0.000 0.934 220 R CB 2.909 33.498 30.300 0.480 0.000 1.201 220 R HN 0.866 9.427 8.270 0.690 0.123 0.431 221 N N 4.578 123.324 118.700 0.078 0.000 2.586 221 N HA -0.132 nan 4.740 nan 0.000 0.206 221 N C -0.353 175.078 175.510 -0.131 0.000 1.377 221 N CA -0.359 52.468 53.050 -0.372 0.000 0.871 221 N CB -0.977 37.109 38.487 -0.668 0.000 1.107 221 N HN 0.887 9.200 8.380 0.048 0.096 0.462 222 E N 0.740 120.959 120.200 0.031 0.000 3.587 222 E HA -0.315 nan 4.350 nan 0.000 0.235 222 E C 1.130 177.693 176.600 -0.063 0.000 0.912 222 E CA 0.362 56.766 56.400 0.007 0.000 0.933 222 E CB -1.089 28.639 29.700 0.048 0.000 0.865 222 E HN -0.361 7.941 8.360 0.143 0.144 0.567 223 I N 5.571 126.063 120.570 -0.130 0.000 2.229 223 I HA -0.361 nan 4.170 nan 0.000 0.250 223 I C -0.198 175.838 176.117 -0.135 0.000 1.096 223 I CA 2.181 63.351 61.300 -0.216 0.000 1.358 223 I CB 0.073 37.890 38.000 -0.305 0.000 1.047 223 I HN 0.410 8.550 8.210 -0.116 0.000 0.422 224 T N 0.488 114.992 114.554 -0.083 0.000 2.881 224 T HA 0.412 nan 4.350 nan 0.000 0.291 224 T C -2.475 172.206 174.700 -0.032 0.000 0.990 224 T CA -1.670 60.395 62.100 -0.057 0.000 0.976 224 T CB 2.036 70.866 68.868 -0.063 0.000 0.970 224 T HN -0.386 7.798 8.240 -0.071 0.014 0.438 225 P HA 0.493 nan 4.420 nan 0.000 0.301 225 P C -1.959 175.335 177.300 -0.011 0.000 1.338 225 P CA -0.859 62.249 63.100 0.014 0.000 0.834 225 P CB 1.158 32.896 31.700 0.063 0.000 0.967 226 R N 3.275 123.746 120.500 -0.049 0.000 2.771 226 R HA 0.295 nan 4.340 nan 0.000 0.274 226 R C -1.370 174.822 176.300 -0.179 0.000 0.987 226 R CA -1.406 54.624 56.100 -0.116 0.000 0.908 226 R CB 3.216 33.410 30.300 -0.176 0.000 1.213 226 R HN -0.168 8.077 8.270 -0.041 0.000 0.468 227 N N -0.233 118.327 118.700 -0.233 0.000 2.663 227 N HA -0.396 nan 4.740 nan 0.000 0.263 227 N C -0.663 174.829 175.510 -0.030 0.000 1.109 227 N CA 0.491 53.349 53.050 -0.320 0.000 0.701 227 N CB -0.949 36.984 38.487 -0.922 0.000 0.879 227 N HN 0.424 8.690 8.380 -0.190 0.000 0.550 228 F N -3.403 116.436 119.950 -0.184 0.000 2.184 228 F HA -0.460 nan 4.527 nan 0.000 0.318 228 F C -0.335 175.223 175.800 -0.404 0.000 0.994 228 F CA 1.642 59.483 58.000 -0.265 0.000 0.913 228 F CB -0.533 38.344 39.000 -0.204 0.000 4.133 228 F HN 0.103 8.461 8.300 0.097 0.000 0.138 229 I N 1.549 121.618 120.570 -0.835 0.000 3.585 229 I HA 0.022 nan 4.170 nan 0.000 0.325 229 I C -1.715 174.219 176.117 -0.305 0.000 1.370 229 I CA -1.919 58.908 61.300 -0.787 0.000 1.298 229 I CB -1.253 36.090 38.000 -1.094 0.000 1.387 229 I HN 0.038 7.678 8.210 -0.949 0.000 0.466 230 F N 2.686 122.452 119.950 -0.307 0.000 2.478 230 F HA 0.238 nan 4.527 nan 0.000 0.260 230 F C -0.731 174.908 175.800 -0.267 0.000 0.974 230 F CA 0.734 58.573 58.000 -0.269 0.000 1.075 230 F CB 2.620 41.460 39.000 -0.266 0.000 1.165 230 F HN -0.696 7.492 8.300 -0.047 0.084 0.692 231 R N 0.464 121.101 120.500 0.228 0.000 2.215 231 R HA 0.329 nan 4.340 nan 0.000 0.336 231 R C -1.918 174.367 176.300 -0.026 0.000 0.996 231 R CA -0.807 55.317 56.100 0.041 0.000 0.847 231 R CB 0.695 31.026 30.300 0.051 0.000 1.127 231 R HN -0.552 7.855 8.270 0.228 0.000 0.465 232 V N -0.477 119.380 119.914 -0.094 0.000 3.105 232 V HA 0.654 nan 4.120 nan 0.000 0.311 232 V C -0.831 175.321 176.094 0.097 0.000 1.287 232 V CA -2.506 59.811 62.300 0.028 0.000 1.066 232 V CB 3.171 35.033 31.823 0.066 0.000 1.105 232 V HN 0.095 8.135 8.190 -0.251 0.000 0.462 233 R N -2.534 118.097 120.500 0.218 0.000 2.237 233 R HA 0.241 nan 4.340 nan 0.000 0.195 233 R C -0.187 176.322 176.300 0.349 0.000 0.956 233 R CA 0.791 57.107 56.100 0.360 0.000 1.029 233 R CB 1.756 32.306 30.300 0.418 0.000 0.972 233 R HN 0.651 8.932 8.270 0.202 0.110 0.493 234 E N -0.899 119.426 120.200 0.208 0.000 2.241 234 E HA 0.532 nan 4.350 nan 0.000 0.263 234 E C -1.996 174.628 176.600 0.041 0.000 0.882 234 E CA -0.585 55.713 56.400 -0.170 0.000 0.769 234 E CB 3.036 32.562 29.700 -0.290 0.000 1.185 234 E HN -0.911 7.580 8.360 0.219 0.000 0.415 235 F N 2.082 121.807 119.950 -0.374 0.000 2.831 235 F HA 0.745 nan 4.527 nan 0.000 0.318 235 F C -2.730 172.927 175.800 -0.239 0.000 1.174 235 F CA -1.847 56.022 58.000 -0.218 0.000 0.918 235 F CB 1.693 40.612 39.000 -0.135 0.000 1.364 235 F HN 0.735 8.507 8.300 -0.879 0.000 0.475 236 E N -1.964 118.164 120.200 -0.120 0.000 2.256 236 E HA 0.646 nan 4.350 nan 0.000 0.267 236 E C -1.335 175.209 176.600 -0.093 0.000 0.892 236 E CA -1.602 54.671 56.400 -0.212 0.000 0.775 236 E CB 3.724 33.317 29.700 -0.178 0.000 1.207 236 E HN 0.088 8.801 8.360 0.074 -0.309 0.420 237 Q N 0.628 120.329 119.800 -0.165 0.000 2.413 237 Q HA 0.758 nan 4.340 nan 0.000 0.276 237 Q C -1.159 174.669 176.000 -0.287 0.000 1.099 237 Q CA -1.696 54.025 55.803 -0.137 0.000 0.814 237 Q CB 4.555 33.249 28.738 -0.073 0.000 1.379 237 Q HN 0.660 8.795 8.270 -0.225 0.000 0.436 238 M N 1.684 121.016 119.600 -0.446 0.000 2.023 238 M HA 0.381 nan 4.480 nan 0.000 0.325 238 M C -1.277 174.663 176.300 -0.600 0.000 0.963 238 M CA -0.222 54.535 55.300 -0.905 0.000 0.928 238 M CB 0.958 32.507 32.600 -1.753 0.000 1.429 238 M HN 0.436 8.516 8.290 -0.350 0.000 0.404 239 E N 3.434 123.443 120.200 -0.318 0.000 2.207 239 E HA 0.718 nan 4.350 nan 0.000 0.270 239 E C -1.748 174.823 176.600 -0.048 0.000 0.927 239 E CA -1.530 54.783 56.400 -0.144 0.000 0.799 239 E CB 3.633 33.251 29.700 -0.137 0.000 1.172 239 E HN 0.746 8.931 8.360 -0.290 0.000 0.404 240 I N 0.364 120.848 120.570 -0.142 0.000 2.689 240 I HA 0.342 nan 4.170 nan 0.000 0.299 240 I C -0.821 175.062 176.117 -0.390 0.000 1.059 240 I CA -1.415 59.716 61.300 -0.282 0.000 1.055 240 I CB 3.123 40.821 38.000 -0.504 0.000 1.243 240 I HN -0.215 7.892 8.210 -0.172 0.000 0.425 241 E N 3.415 123.317 120.200 -0.498 0.000 2.731 241 E HA 0.263 nan 4.350 nan 0.000 0.248 241 E C -1.616 174.397 176.600 -0.978 0.000 1.084 241 E CA -1.770 54.254 56.400 -0.626 0.000 0.776 241 E CB 0.672 29.981 29.700 -0.651 0.000 1.404 241 E HN 0.118 8.185 8.360 -0.489 0.000 0.395 242 Y N 4.985 124.815 120.300 -0.782 0.000 2.674 242 Y HA -0.149 nan 4.550 nan 0.000 0.354 242 Y C -1.286 174.292 175.900 -0.537 0.000 1.089 242 Y CA 0.452 58.175 58.100 -0.629 0.000 1.444 242 Y CB -0.153 38.101 38.460 -0.342 0.000 1.187 242 Y HN 0.480 8.498 8.280 -0.436 0.000 0.523 243 F N 7.084 126.734 119.950 -0.499 0.000 2.456 243 F HA 0.258 nan 4.527 nan 0.000 0.358 243 F C -1.012 174.609 175.800 -0.297 0.000 1.095 243 F CA 0.051 57.833 58.000 -0.364 0.000 1.216 243 F CB -0.427 38.284 39.000 -0.482 0.000 1.125 243 F HN -0.244 7.320 8.300 -1.226 0.000 0.549 244 V N 2.062 122.050 119.914 0.123 0.000 3.049 244 V HA 0.334 nan 4.120 nan 0.000 0.309 244 V C -1.587 174.637 176.094 0.216 0.000 1.148 244 V CA -1.997 60.380 62.300 0.128 0.000 0.990 244 V CB 4.530 36.467 31.823 0.190 0.000 1.039 244 V HN 1.116 9.354 8.190 0.232 0.091 0.430 245 R N 3.566 124.191 120.500 0.209 0.000 2.484 245 R HA 0.105 nan 4.340 nan 0.000 0.293 245 R C -0.861 175.420 176.300 -0.033 0.000 1.023 245 R CA -0.847 55.305 56.100 0.086 0.000 1.037 245 R CB 0.045 30.371 30.300 0.043 0.000 0.951 245 R HN 0.429 8.836 8.270 0.228 0.000 0.418 246 P HA -0.293 nan 4.420 nan 0.000 0.225 246 P C 1.251 178.427 177.300 -0.208 0.000 1.154 246 P CA 3.193 65.898 63.100 -0.658 0.000 0.933 246 P CB -0.251 31.034 31.700 -0.692 0.000 0.790 247 G N -4.259 104.477 108.800 -0.106 0.000 2.421 247 G HA2 -0.208 nan 3.960 nan 0.000 0.216 247 G HA3 -0.208 nan 3.960 nan 0.000 0.216 247 G C 1.478 176.453 174.900 0.125 0.000 1.171 247 G CA 1.762 46.870 45.100 0.014 0.000 0.775 247 G HN 0.095 8.277 8.290 -0.169 0.007 0.543 248 E N 0.540 120.857 120.200 0.195 0.000 2.472 248 E HA -0.239 nan 4.350 nan 0.000 0.200 248 E C 1.637 178.523 176.600 0.476 0.000 1.046 248 E CA 2.138 58.719 56.400 0.301 0.000 0.871 248 E CB -0.549 29.417 29.700 0.444 0.000 0.806 248 E HN -0.448 8.014 8.360 0.171 0.000 0.533 249 D N -0.657 120.045 120.400 0.504 0.000 2.170 249 D HA -0.443 nan 4.640 nan 0.000 0.193 249 D C 1.654 178.232 176.300 0.465 0.000 1.004 249 D CA 3.213 57.547 54.000 0.558 0.000 0.860 249 D CB -0.536 40.611 40.800 0.578 0.000 0.931 249 D HN -0.635 7.920 8.370 0.417 0.065 0.448 250 E N 0.014 120.412 120.200 0.330 0.000 2.038 250 E HA -0.414 nan 4.350 nan 0.000 0.195 250 E C 2.009 178.759 176.600 0.251 0.000 1.000 250 E CA 3.180 59.726 56.400 0.243 0.000 0.803 250 E CB -0.275 29.516 29.700 0.151 0.000 0.750 250 E HN -0.427 8.096 8.360 0.296 0.015 0.448 251 Y N 0.156 120.468 120.300 0.019 0.000 2.053 251 Y HA -0.454 nan 4.550 nan 0.000 0.277 251 Y C 1.578 177.472 175.900 -0.010 0.000 1.159 251 Y CA 2.961 60.978 58.100 -0.138 0.000 1.125 251 Y CB -0.401 37.785 38.460 -0.457 0.000 0.969 251 Y HN -0.789 7.633 8.280 0.236 0.000 0.492 252 W N -3.234 118.207 121.300 0.235 0.000 2.302 252 W HA -0.581 nan 4.660 nan 0.000 0.320 252 W C 2.294 178.965 176.519 0.253 0.000 1.241 252 W CA 3.220 60.667 57.345 0.171 0.000 1.264 252 W CB -0.275 29.395 29.460 0.350 0.000 1.154 252 W HN -0.458 7.844 8.180 0.204 0.000 0.483 253 H N -1.034 118.284 119.070 0.414 0.000 2.353 253 H HA -0.414 nan 4.556 nan 0.000 0.298 253 H C 2.232 177.677 175.328 0.196 0.000 1.103 253 H CA 3.670 59.889 56.048 0.285 0.000 1.293 253 H CB 0.113 29.998 29.762 0.205 0.000 1.372 253 H HN -0.010 8.638 8.280 0.614 0.000 0.501 254 R N -0.566 120.097 120.500 0.271 0.000 2.070 254 R HA -0.359 nan 4.340 nan 0.000 0.232 254 R C 1.893 178.249 176.300 0.093 0.000 1.138 254 R CA 2.421 58.585 56.100 0.107 0.000 0.936 254 R CB -1.064 29.252 30.300 0.027 0.000 0.839 254 R HN -0.479 7.846 8.270 0.244 0.092 0.429 255 Y N 0.431 120.591 120.300 -0.234 0.000 2.030 255 Y HA -0.482 nan 4.550 nan 0.000 0.272 255 Y C 1.955 177.731 175.900 -0.207 0.000 1.185 255 Y CA 2.516 60.388 58.100 -0.380 0.000 1.120 255 Y CB -0.551 37.508 38.460 -0.668 0.000 0.955 255 Y HN 0.129 8.240 8.280 -0.093 0.113 0.495 256 W N -3.767 117.412 121.300 -0.202 0.000 2.338 256 W HA -0.492 nan 4.660 nan 0.000 0.304 256 W C 2.256 178.696 176.519 -0.132 0.000 1.212 256 W CA 3.960 61.126 57.345 -0.298 0.000 1.264 256 W CB -0.135 29.204 29.460 -0.201 0.000 1.142 256 W HN 0.208 8.499 8.180 0.186 0.000 0.512 257 V N -0.874 119.186 119.914 0.243 0.000 2.255 257 V HA -0.629 nan 4.120 nan 0.000 0.247 257 V C 1.866 178.043 176.094 0.139 0.000 1.051 257 V CA 4.725 67.153 62.300 0.214 0.000 1.018 257 V CB -0.940 31.016 31.823 0.222 0.000 0.641 257 V HN -0.289 8.077 8.190 0.294 0.000 0.445 258 E N -1.127 119.113 120.200 0.067 0.000 2.110 258 E HA -0.438 nan 4.350 nan 0.000 0.193 258 E C 2.113 178.714 176.600 0.002 0.000 0.988 258 E CA 3.361 59.783 56.400 0.038 0.000 0.804 258 E CB -0.109 29.603 29.700 0.021 0.000 0.745 258 E HN -0.268 8.128 8.360 0.060 0.000 0.458 259 E N 0.273 120.398 120.200 -0.125 0.000 2.017 259 E HA -0.287 nan 4.350 nan 0.000 0.193 259 E C 2.513 179.139 176.600 0.043 0.000 0.997 259 E CA 2.651 58.944 56.400 -0.179 0.000 0.804 259 E CB -0.496 28.885 29.700 -0.531 0.000 0.757 259 E HN -0.195 7.946 8.360 -0.204 0.097 0.448 260 R N -1.387 119.196 120.500 0.138 0.000 2.127 260 R HA -0.309 nan 4.340 nan 0.000 0.238 260 R C 2.741 179.263 176.300 0.369 0.000 1.134 260 R CA 2.624 58.877 56.100 0.256 0.000 0.975 260 R CB -0.525 29.952 30.300 0.295 0.000 0.865 260 R HN 0.222 8.573 8.270 0.135 0.000 0.447 261 L N -0.104 121.292 121.223 0.287 0.000 2.072 261 L HA -0.146 nan 4.340 nan 0.000 0.205 261 L C 1.180 178.196 176.870 0.243 0.000 1.079 261 L CA 2.070 57.088 54.840 0.297 0.000 0.752 261 L CB -0.530 41.652 42.059 0.205 0.000 0.906 261 L HN 0.036 8.291 8.230 0.212 0.101 0.436 262 K N -0.636 119.865 120.400 0.169 0.000 2.074 262 K HA -0.452 nan 4.320 nan 0.000 0.209 262 K C 2.045 178.732 176.600 0.144 0.000 1.048 262 K CA 3.563 59.924 56.287 0.124 0.000 0.926 262 K CB -0.283 32.262 32.500 0.076 0.000 0.713 262 K HN -0.318 7.939 8.250 0.142 0.078 0.444 263 W N -0.247 121.043 121.300 -0.017 0.000 2.352 263 W HA -0.398 nan 4.660 nan 0.000 0.322 263 W C 1.748 178.244 176.519 -0.039 0.000 1.208 263 W CA 4.001 61.289 57.345 -0.095 0.000 1.286 263 W CB -0.127 29.192 29.460 -0.235 0.000 1.167 263 W HN -0.042 8.310 8.180 0.293 0.004 0.469 264 W N -3.521 117.839 121.300 0.101 0.000 2.359 264 W HA -0.584 nan 4.660 nan 0.000 0.275 264 W C 2.118 178.522 176.519 -0.193 0.000 1.217 264 W CA 3.004 60.270 57.345 -0.131 0.000 1.196 264 W CB -0.298 29.198 29.460 0.061 0.000 1.129 264 W HN -0.258 8.153 8.180 0.386 0.000 0.566 265 Q N -2.596 117.258 119.800 0.090 0.000 2.089 265 Q HA -0.298 nan 4.340 nan 0.000 0.195 265 Q C 2.795 178.773 176.000 -0.037 0.000 0.963 265 Q CA 3.605 59.433 55.803 0.041 0.000 0.834 265 Q CB -0.264 28.513 28.738 0.065 0.000 0.906 265 Q HN -0.311 7.880 8.270 0.121 0.152 0.452 266 E N 0.334 120.481 120.200 -0.089 0.000 2.265 266 E HA -0.301 nan 4.350 nan 0.000 0.196 266 E C 1.541 178.070 176.600 -0.118 0.000 0.996 266 E CA 2.451 58.806 56.400 -0.076 0.000 0.832 266 E CB -0.417 29.247 29.700 -0.060 0.000 0.756 266 E HN -0.461 7.847 8.360 -0.088 0.000 0.491 267 M N -5.678 113.741 119.600 -0.301 0.000 2.419 267 M HA -0.126 nan 4.480 nan 0.000 0.264 267 M C 0.909 177.152 176.300 -0.096 0.000 1.082 267 M CA -0.025 55.105 55.300 -0.283 0.000 1.119 267 M CB 0.150 32.389 32.600 -0.602 0.000 1.398 267 M HN -0.386 7.530 8.290 -0.385 0.143 0.453 268 G N -4.263 104.497 108.800 -0.066 0.000 2.551 268 G HA2 -0.246 nan 3.960 nan 0.000 0.186 268 G HA3 -0.246 nan 3.960 nan 0.000 0.186 268 G C -1.004 173.881 174.900 -0.026 0.000 1.002 268 G CA -0.538 44.539 45.100 -0.039 0.000 0.723 268 G HN -0.217 7.853 8.290 -0.072 0.177 0.481 269 L N 1.455 122.663 121.223 -0.026 0.000 2.433 269 L HA -0.035 nan 4.340 nan 0.000 0.275 269 L C -0.685 176.210 176.870 0.042 0.000 1.128 269 L CA -0.035 54.789 54.840 -0.028 0.000 0.875 269 L CB -0.125 41.867 42.059 -0.112 0.000 1.171 269 L HN -0.596 7.628 8.230 -0.010 0.000 0.463 270 S N 2.813 118.551 115.700 0.062 0.000 2.558 270 S HA -0.111 nan 4.470 nan 0.000 0.288 270 S C 1.022 175.661 174.600 0.066 0.000 1.318 270 S CA -0.545 57.687 58.200 0.053 0.000 1.056 270 S CB 1.315 64.541 63.200 0.044 0.000 0.853 270 S HN -0.530 8.007 8.310 0.075 -0.182 0.505 271 R N 4.304 124.835 120.500 0.052 0.000 2.120 271 R HA -0.267 nan 4.340 nan 0.000 0.234 271 R C 2.507 178.833 176.300 0.043 0.000 1.123 271 R CA 2.490 58.624 56.100 0.056 0.000 0.975 271 R CB -0.726 29.603 30.300 0.047 0.000 0.866 271 R HN 0.764 9.059 8.270 0.042 0.000 0.446 272 E N -1.661 118.555 120.200 0.026 0.000 2.219 272 E HA -0.241 nan 4.350 nan 0.000 0.198 272 E C 0.927 177.517 176.600 -0.018 0.000 0.998 272 E CA 2.699 59.102 56.400 0.004 0.000 0.818 272 E CB -0.500 29.198 29.700 -0.004 0.000 0.741 272 E HN 0.453 8.810 8.360 0.027 0.019 0.477 273 N N -3.273 115.422 118.700 -0.008 0.000 2.254 273 N HA 0.097 nan 4.740 nan 0.000 0.190 273 N C -1.528 173.968 175.510 -0.023 0.000 1.107 273 N CA 0.124 53.121 53.050 -0.088 0.000 0.869 273 N CB 1.002 39.404 38.487 -0.142 0.000 0.983 273 N HN -0.494 7.750 8.380 0.034 0.156 0.487 274 L N 0.131 121.394 121.223 0.067 0.000 2.307 274 L HA 0.413 nan 4.340 nan 0.000 0.282 274 L C -0.931 175.979 176.870 0.066 0.000 1.051 274 L CA 0.270 55.169 54.840 0.098 0.000 0.804 274 L CB 1.398 43.530 42.059 0.121 0.000 1.197 274 L HN -0.581 7.559 8.230 0.062 0.128 0.431 275 V N -0.675 119.283 119.914 0.073 0.000 2.567 275 V HA 0.560 nan 4.120 nan 0.000 0.298 275 V C -2.634 173.535 176.094 0.125 0.000 1.047 275 V CA -3.901 58.447 62.300 0.079 0.000 0.880 275 V CB 2.742 34.591 31.823 0.043 0.000 1.009 275 V HN 0.697 8.936 8.190 0.082 0.000 0.429 276 P HA 0.609 nan 4.420 nan 0.000 0.277 276 P C -2.078 175.355 177.300 0.222 0.000 1.240 276 P CA -0.901 62.298 63.100 0.165 0.000 0.798 276 P CB 0.716 32.494 31.700 0.129 0.000 0.979 277 Y N 2.313 122.653 120.300 0.065 0.000 2.330 277 Y HA 0.196 nan 4.550 nan 0.000 0.324 277 Y C -2.230 173.702 175.900 0.053 0.000 1.093 277 Y CA -0.813 57.317 58.100 0.051 0.000 1.103 277 Y CB 3.111 41.600 38.460 0.049 0.000 1.183 277 Y HN 0.402 8.823 8.280 0.233 0.000 0.433 278 Q N 7.872 127.478 119.800 -0.323 0.000 2.300 278 Q HA -0.080 nan 4.340 nan 0.000 0.262 278 Q C -0.393 175.154 176.000 -0.754 0.000 1.109 278 Q CA 0.036 55.608 55.803 -0.385 0.000 0.905 278 Q CB -0.042 28.584 28.738 -0.187 0.000 1.280 278 Q HN 0.470 8.682 8.270 -0.097 0.000 0.426 279 Q N 6.561 125.959 119.800 -0.670 0.000 2.315 279 Q HA -0.035 nan 4.340 nan 0.000 0.289 279 Q C -1.883 173.954 176.000 -0.273 0.000 1.044 279 Q CA -0.459 55.023 55.803 -0.535 0.000 0.920 279 Q CB -0.204 28.404 28.738 -0.215 0.000 1.214 279 Q HN -0.304 7.706 8.270 -0.433 0.000 0.392 280 P HA 0.339 nan 4.420 nan 0.000 0.290 280 P C -1.824 175.452 177.300 -0.040 0.000 1.283 280 P CA -2.233 60.823 63.100 -0.073 0.000 0.869 280 P CB -0.088 31.599 31.700 -0.021 0.000 1.100 281 P HA -0.354 nan 4.420 nan 0.000 0.233 281 P C -0.070 177.221 177.300 -0.016 0.000 1.141 281 P CA 2.471 65.558 63.100 -0.022 0.000 0.951 281 P CB -0.086 31.606 31.700 -0.013 0.000 0.778 282 E N -2.860 117.337 120.200 -0.006 0.000 2.023 282 E HA -0.202 nan 4.350 nan 0.000 0.196 282 E C 1.475 178.076 176.600 0.002 0.000 1.003 282 E CA 2.266 58.668 56.400 0.002 0.000 0.809 282 E CB -0.165 29.544 29.700 0.015 0.000 0.755 282 E HN 0.445 8.774 8.360 -0.002 0.030 0.449 283 S N -1.923 113.781 115.700 0.008 0.000 2.489 283 S HA -0.088 nan 4.470 nan 0.000 0.228 283 S C 0.945 175.533 174.600 -0.020 0.000 0.995 283 S CA 0.983 59.191 58.200 0.014 0.000 0.934 283 S CB 0.195 63.425 63.200 0.049 0.000 0.771 283 S HN -0.029 8.287 8.310 0.011 0.000 0.522 284 S N 5.445 121.118 115.700 -0.045 0.000 2.898 284 S HA -0.260 nan 4.470 nan 0.000 0.324 284 S C -0.609 173.932 174.600 -0.099 0.000 1.171 284 S CA 0.588 58.737 58.200 -0.085 0.000 1.288 284 S CB -0.385 62.772 63.200 -0.072 0.000 1.490 284 S HN -0.757 7.388 8.310 -0.037 0.142 0.570 285 A N 6.517 129.254 122.820 -0.139 0.000 2.547 285 A HA -0.131 nan 4.320 nan 0.000 0.233 285 A C 0.750 178.246 177.584 -0.147 0.000 1.067 285 A CA 0.664 52.631 52.037 -0.117 0.000 0.763 285 A CB 0.708 19.655 19.000 -0.089 0.000 1.007 285 A HN -0.094 7.974 8.150 -0.136 0.000 0.506 286 H N 2.457 121.480 119.070 -0.079 0.000 2.314 286 H HA -0.363 nan 4.556 nan 0.000 0.288 286 H C 0.293 175.650 175.328 0.047 0.000 1.091 286 H CA 2.955 59.027 56.048 0.040 0.000 1.155 286 H CB -0.240 29.637 29.762 0.191 0.000 1.362 286 H HN 0.648 9.019 8.280 0.152 0.000 0.530 287 Y N -5.945 114.240 120.300 -0.192 0.000 2.139 287 Y HA -0.260 nan 4.550 nan 0.000 0.282 287 Y C -0.935 174.821 175.900 -0.239 0.000 1.179 287 Y CA -0.412 57.329 58.100 -0.598 0.000 1.161 287 Y CB -1.355 36.413 38.460 -1.154 0.000 0.970 287 Y HN -0.418 8.048 8.280 0.309 0.000 0.511 288 A N -1.327 120.951 122.820 -0.904 0.000 2.476 288 A HA -0.138 nan 4.320 nan 0.000 0.275 288 A C -0.334 177.103 177.584 -0.245 0.000 1.133 288 A CA -0.017 51.686 52.037 -0.557 0.000 0.797 288 A CB -0.417 18.170 19.000 -0.688 0.000 1.081 288 A HN -0.705 6.494 8.150 -1.553 0.019 0.510 289 K N 4.567 124.880 120.400 -0.144 0.000 2.217 289 K HA -0.172 nan 4.320 nan 0.000 0.202 289 K C -0.777 175.799 176.600 -0.040 0.000 1.051 289 K CA 1.720 57.962 56.287 -0.074 0.000 0.952 289 K CB 0.775 33.228 32.500 -0.078 0.000 0.736 289 K HN -0.027 8.133 8.250 -0.151 0.000 0.453 290 A N -3.941 118.863 122.820 -0.026 0.000 2.586 290 A HA 0.271 nan 4.320 nan 0.000 0.290 290 A C -3.027 174.599 177.584 0.071 0.000 1.086 290 A CA -0.201 51.858 52.037 0.037 0.000 0.665 290 A CB 2.113 21.179 19.000 0.110 0.000 1.279 290 A HN -0.893 7.190 8.150 -0.058 0.033 0.423 291 T N -1.759 112.865 114.554 0.117 0.000 2.977 291 T HA 0.213 nan 4.350 nan 0.000 0.345 291 T C -2.265 172.503 174.700 0.114 0.000 1.562 291 T CA 0.025 62.193 62.100 0.113 0.000 1.090 291 T CB 2.423 71.279 68.868 -0.020 0.000 1.383 291 T HN 0.130 8.408 8.240 0.063 0.000 0.484 292 V N 5.461 125.479 119.914 0.172 0.000 2.531 292 V HA 0.646 nan 4.120 nan 0.000 0.301 292 V C -1.873 174.303 176.094 0.137 0.000 1.034 292 V CA -1.161 61.214 62.300 0.125 0.000 0.865 292 V CB 3.237 35.179 31.823 0.198 0.000 0.995 292 V HN 0.673 8.840 8.190 0.183 0.133 0.424 293 D N 6.037 126.522 120.400 0.142 0.000 2.277 293 D HA 0.691 nan 4.640 nan 0.000 0.250 293 D C -1.086 175.339 176.300 0.208 0.000 1.032 293 D CA -1.377 52.740 54.000 0.195 0.000 0.947 293 D CB 2.581 43.539 40.800 0.264 0.000 1.159 293 D HN 0.038 8.468 8.370 0.099 0.000 0.460 294 I N 0.523 121.203 120.570 0.183 0.000 2.405 294 I HA 0.363 nan 4.170 nan 0.000 0.280 294 I C -0.909 175.286 176.117 0.130 0.000 1.027 294 I CA -0.835 60.562 61.300 0.162 0.000 1.161 294 I CB 0.385 38.488 38.000 0.170 0.000 1.300 294 I HN 0.186 8.498 8.210 0.169 0.000 0.463 295 L N 6.018 127.326 121.223 0.142 0.000 2.439 295 L HA 0.476 nan 4.340 nan 0.000 0.261 295 L C -1.617 175.326 176.870 0.122 0.000 1.153 295 L CA -0.811 54.112 54.840 0.138 0.000 0.808 295 L CB 0.962 43.074 42.059 0.089 0.000 1.126 295 L HN 0.802 9.033 8.230 0.154 0.091 0.460 296 Y N 2.809 123.102 120.300 -0.011 0.000 2.462 296 Y HA 0.322 nan 4.550 nan 0.000 0.346 296 Y C -1.637 174.160 175.900 -0.172 0.000 0.976 296 Y CA -2.019 55.944 58.100 -0.228 0.000 1.044 296 Y CB 4.097 42.187 38.460 -0.616 0.000 1.230 296 Y HN 1.052 9.407 8.280 0.308 0.110 0.455 297 R N 8.617 128.475 120.500 -1.070 0.000 3.688 297 R HA 0.020 nan 4.340 nan 0.000 0.194 297 R C -0.912 174.841 176.300 -0.912 0.000 1.677 297 R CA -1.697 53.947 56.100 -0.761 0.000 1.351 297 R CB -1.920 28.047 30.300 -0.556 0.000 1.338 297 R HN -0.153 7.380 8.270 -1.228 0.000 0.731 298 F N 4.200 123.848 119.950 -0.504 0.000 2.444 298 F HA -0.032 nan 4.527 nan 0.000 0.297 298 F C -0.173 175.507 175.800 -0.201 0.000 1.295 298 F CA -0.331 57.549 58.000 -0.200 0.000 1.286 298 F CB -0.681 38.246 39.000 -0.121 0.000 1.298 298 F HN 0.025 8.249 8.300 -0.047 0.048 0.531 299 P HA 0.045 nan 4.420 nan 0.000 0.240 299 P C -1.075 176.267 177.300 0.070 0.000 1.190 299 P CA 1.445 64.588 63.100 0.072 0.000 0.781 299 P CB 0.427 32.176 31.700 0.081 0.000 0.931 300 H N -5.626 113.472 119.070 0.047 0.000 2.705 300 H HA 0.147 nan 4.556 nan 0.000 0.269 300 H C -0.296 175.005 175.328 -0.045 0.000 0.998 300 H CA -1.102 54.923 56.048 -0.038 0.000 1.193 300 H CB 0.190 29.890 29.762 -0.105 0.000 1.485 300 H HN -0.201 8.001 8.280 -0.053 0.046 0.521 301 G N -1.253 107.364 108.800 -0.305 0.000 2.337 301 G HA2 -0.094 nan 3.960 nan 0.000 0.298 301 G HA3 -0.094 nan 3.960 nan 0.000 0.298 301 G C -2.413 172.403 174.900 -0.140 0.000 1.335 301 G CA -0.480 44.496 45.100 -0.208 0.000 0.875 301 G HN -0.879 7.074 8.290 -0.289 0.164 0.579 302 S N 1.109 116.747 115.700 -0.104 0.000 3.869 302 S HA 0.274 nan 4.470 nan 0.000 0.241 302 S C -0.076 174.537 174.600 0.021 0.000 1.363 302 S CA -0.278 57.883 58.200 -0.066 0.000 0.894 302 S CB -0.704 62.434 63.200 -0.103 0.000 1.519 302 S HN 0.181 8.424 8.310 -0.111 0.000 0.470 303 L N 2.589 123.927 121.223 0.190 0.000 2.365 303 L HA 0.304 nan 4.340 nan 0.000 0.267 303 L C -1.267 175.821 176.870 0.364 0.000 1.033 303 L CA -1.839 53.150 54.840 0.249 0.000 0.802 303 L CB 3.851 46.048 42.059 0.230 0.000 1.267 303 L HN -0.380 8.038 8.230 0.360 0.028 0.457 304 E N -0.365 120.008 120.200 0.290 0.000 2.415 304 E HA -0.099 nan 4.350 nan 0.000 0.263 304 E C -0.500 176.194 176.600 0.158 0.000 0.995 304 E CA 1.272 57.799 56.400 0.212 0.000 0.915 304 E CB 0.600 30.401 29.700 0.169 0.000 0.951 304 E HN 0.098 8.620 8.360 0.268 0.000 0.449 305 L N 6.141 127.425 121.223 0.103 0.000 2.614 305 L HA 0.401 nan 4.340 nan 0.000 0.185 305 L C -1.223 175.623 176.870 -0.039 0.000 1.098 305 L CA 0.854 55.672 54.840 -0.038 0.000 0.852 305 L CB 2.361 44.297 42.059 -0.206 0.000 1.213 305 L HN 0.024 8.321 8.230 0.112 0.000 0.491 306 E N -2.982 117.248 120.200 0.051 0.000 2.392 306 E HA 0.405 nan 4.350 nan 0.000 0.269 306 E C -1.953 174.737 176.600 0.151 0.000 0.924 306 E CA -1.443 55.056 56.400 0.165 0.000 0.784 306 E CB 4.076 33.998 29.700 0.369 0.000 1.292 306 E HN -0.684 7.708 8.360 0.053 0.000 0.447 307 G N 0.725 109.608 108.800 0.138 0.000 2.866 307 G HA2 0.561 nan 3.960 nan 0.000 0.291 307 G HA3 0.561 nan 3.960 nan 0.000 0.291 307 G C -1.604 173.351 174.900 0.092 0.000 1.476 307 G CA -0.410 44.763 45.100 0.122 0.000 1.048 307 G HN 0.514 8.776 8.290 0.131 0.106 0.542 308 I N 6.498 127.128 120.570 0.101 0.000 2.227 308 I HA 0.111 nan 4.170 nan 0.000 0.297 308 I C -0.916 175.162 176.117 -0.065 0.000 1.173 308 I CA -0.562 60.761 61.300 0.038 0.000 1.356 308 I CB -1.728 36.348 38.000 0.127 0.000 1.485 308 I HN 0.739 9.033 8.210 0.139 0.000 0.604 309 A N 7.802 130.565 122.820 -0.095 0.000 2.260 309 A HA 0.537 nan 4.320 nan 0.000 0.278 309 A C -1.451 175.942 177.584 -0.319 0.000 1.269 309 A CA -0.256 51.703 52.037 -0.131 0.000 0.824 309 A CB 1.215 20.212 19.000 -0.005 0.000 1.238 309 A HN 0.256 8.378 8.150 -0.048 0.000 0.507 310 Q N -1.501 118.187 119.800 -0.188 0.000 3.576 310 Q HA 0.137 nan 4.340 nan 0.000 0.249 310 Q C -1.811 174.136 176.000 -0.088 0.000 0.771 310 Q CA -0.743 54.976 55.803 -0.139 0.000 0.897 310 Q CB 0.446 29.176 28.738 -0.013 0.000 1.551 310 Q HN -0.024 8.166 8.270 -0.134 0.000 0.388 311 R N 2.104 122.569 120.500 -0.058 0.000 2.827 311 R HA 0.254 nan 4.340 nan 0.000 0.269 311 R C -0.355 175.868 176.300 -0.129 0.000 1.048 311 R CA 0.194 56.255 56.100 -0.065 0.000 1.173 311 R CB 0.789 31.106 30.300 0.028 0.000 1.070 311 R HN -0.035 8.225 8.270 -0.016 0.000 0.498 312 T N -1.375 113.065 114.554 -0.190 0.000 3.038 312 T HA 0.200 nan 4.350 nan 0.000 0.344 312 T C -1.254 173.308 174.700 -0.230 0.000 1.054 312 T CA -1.215 60.595 62.100 -0.484 0.000 1.092 312 T CB -0.319 67.953 68.868 -0.992 0.000 1.031 312 T HN 0.079 8.254 8.240 -0.108 0.000 0.482 313 D N 1.454 121.906 120.400 0.087 0.000 3.068 313 D HA -0.349 nan 4.640 nan 0.000 0.219 313 D C -0.203 176.168 176.300 0.119 0.000 1.175 313 D CA 1.965 56.091 54.000 0.209 0.000 0.942 313 D CB -1.233 39.838 40.800 0.452 0.000 1.127 313 D HN 0.186 8.636 8.370 0.134 0.000 0.404 314 F N -0.065 119.803 119.950 -0.137 0.000 2.128 314 F HA -0.341 nan 4.527 nan 0.000 0.295 314 F C 0.234 175.879 175.800 -0.258 0.000 1.100 314 F CA 2.783 60.670 58.000 -0.189 0.000 1.260 314 F CB -0.197 38.673 39.000 -0.216 0.000 1.009 314 F HN 0.104 8.372 8.300 0.114 0.100 0.476 315 D N -0.132 120.245 120.400 -0.037 0.000 2.078 315 D HA -0.289 nan 4.640 nan 0.000 0.193 315 D C 2.547 178.757 176.300 -0.149 0.000 0.990 315 D CA 3.831 57.599 54.000 -0.386 0.000 0.827 315 D CB -0.822 39.100 40.800 -1.465 0.000 0.975 315 D HN -0.000 8.262 8.370 -0.180 0.000 0.451 316 L N -1.854 119.296 121.223 -0.121 0.000 2.083 316 L HA -0.191 nan 4.340 nan 0.000 0.209 316 L C 2.849 179.718 176.870 -0.001 0.000 1.083 316 L CA 2.404 57.226 54.840 -0.030 0.000 0.752 316 L CB -0.415 41.541 42.059 -0.172 0.000 0.899 316 L HN -0.050 8.079 8.230 -0.167 0.000 0.433 317 G N -1.199 107.594 108.800 -0.012 0.000 2.418 317 G HA2 -0.314 nan 3.960 nan 0.000 0.217 317 G HA3 -0.314 nan 3.960 nan 0.000 0.217 317 G C 1.484 176.325 174.900 -0.098 0.000 1.158 317 G CA 1.907 46.984 45.100 -0.039 0.000 0.771 317 G HN -0.209 7.909 8.290 0.003 0.174 0.545 318 S N 0.130 115.750 115.700 -0.134 0.000 2.515 318 S HA -0.152 nan 4.470 nan 0.000 0.231 318 S C 0.465 174.901 174.600 -0.273 0.000 0.987 318 S CA 2.026 60.088 58.200 -0.231 0.000 0.936 318 S CB 0.232 63.295 63.200 -0.228 0.000 0.766 318 S HN 0.158 8.323 8.310 -0.064 0.107 0.528 319 H N -3.705 115.354 119.070 -0.018 0.000 2.672 319 H HA 0.333 nan 4.556 nan 0.000 0.277 319 H C -1.503 173.799 175.328 -0.042 0.000 1.074 319 H CA -0.701 55.340 56.048 -0.011 0.000 1.173 319 H CB 1.103 30.916 29.762 0.083 0.000 1.558 319 H HN -0.604 7.491 8.280 -0.008 0.180 0.539 320 T N -1.059 113.510 114.554 0.025 0.000 2.918 320 T HA 0.262 nan 4.350 nan 0.000 0.286 320 T C -1.780 172.880 174.700 -0.066 0.000 1.026 320 T CA -2.225 59.868 62.100 -0.011 0.000 1.031 320 T CB 1.546 70.400 68.868 -0.023 0.000 1.046 320 T HN -0.833 7.395 8.240 -0.019 0.000 0.479 321 K N 4.214 124.572 120.400 -0.070 0.000 2.237 321 K HA 0.001 nan 4.320 nan 0.000 0.270 321 K C -0.213 176.319 176.600 -0.113 0.000 1.015 321 K CA 0.607 56.840 56.287 -0.090 0.000 0.949 321 K CB 0.342 32.795 32.500 -0.078 0.000 0.976 321 K HN -0.160 7.953 8.250 -0.056 0.103 0.472 322 D N 0.190 120.527 120.400 -0.105 0.000 2.947 322 D HA -0.287 nan 4.640 nan 0.000 0.224 322 D C 0.611 176.859 176.300 -0.086 0.000 1.132 322 D CA 1.659 55.598 54.000 -0.102 0.000 0.801 322 D CB -2.039 38.676 40.800 -0.141 0.000 1.097 322 D HN 0.540 8.852 8.370 -0.096 0.000 0.431 323 Q N -2.211 117.540 119.800 -0.081 0.000 2.082 323 Q HA -0.535 nan 4.340 nan 0.000 0.211 323 Q C 1.085 177.058 176.000 -0.044 0.000 1.002 323 Q CA 3.430 59.193 55.803 -0.066 0.000 0.868 323 Q CB -1.308 27.382 28.738 -0.080 0.000 0.931 323 Q HN -0.163 8.052 8.270 -0.092 0.000 0.414 324 E N -1.496 118.678 120.200 -0.042 0.000 2.033 324 E HA -0.340 nan 4.350 nan 0.000 0.199 324 E C 1.417 178.009 176.600 -0.012 0.000 1.011 324 E CA 2.253 58.638 56.400 -0.025 0.000 0.815 324 E CB -1.931 27.754 29.700 -0.025 0.000 0.755 324 E HN 0.072 8.402 8.360 -0.052 -0.001 0.451 325 A N 0.241 123.048 122.820 -0.022 0.000 1.940 325 A HA -0.134 nan 4.320 nan 0.000 0.219 325 A C 0.873 178.463 177.584 0.011 0.000 1.176 325 A CA 1.667 53.698 52.037 -0.009 0.000 0.631 325 A CB -0.167 18.813 19.000 -0.032 0.000 0.814 325 A HN -0.545 7.583 8.150 -0.037 0.000 0.446 326 L N -1.578 119.641 121.223 -0.007 0.000 2.367 326 L HA -0.041 nan 4.340 nan 0.000 0.275 326 L C 0.378 177.278 176.870 0.051 0.000 1.129 326 L CA -0.560 54.296 54.840 0.026 0.000 0.839 326 L CB 0.556 42.610 42.059 -0.008 0.000 1.133 326 L HN -0.247 7.859 8.230 -0.032 0.104 0.453 327 G N 4.241 113.096 108.800 0.091 0.000 2.734 327 G HA2 -0.053 nan 3.960 nan 0.000 0.287 327 G HA3 -0.053 nan 3.960 nan 0.000 0.287 327 G C -0.470 174.484 174.900 0.089 0.000 0.728 327 G CA -0.467 44.684 45.100 0.085 0.000 1.999 327 G HN 0.369 8.733 8.290 0.124 0.000 0.535 328 I N 2.833 123.439 120.570 0.061 0.000 2.529 328 I HA -0.049 nan 4.170 nan 0.000 0.284 328 I C 0.670 176.829 176.117 0.071 0.000 1.082 328 I CA -0.584 60.753 61.300 0.061 0.000 1.406 328 I CB -0.448 37.556 38.000 0.008 0.000 1.405 328 I HN -0.195 8.011 8.210 0.040 0.028 0.548 329 T N 2.404 117.026 114.554 0.114 0.000 3.010 329 T HA 0.183 nan 4.350 nan 0.000 0.257 329 T C -0.092 174.645 174.700 0.061 0.000 1.020 329 T CA -0.706 61.462 62.100 0.113 0.000 0.938 329 T CB 0.700 69.695 68.868 0.212 0.000 1.049 329 T HN 0.128 8.794 8.240 0.155 -0.333 0.522 330 A N 2.083 124.915 122.820 0.021 0.000 2.303 330 A HA 0.269 nan 4.320 nan 0.000 0.317 330 A C -0.776 176.723 177.584 -0.141 0.000 1.149 330 A CA -1.314 50.686 52.037 -0.062 0.000 0.822 330 A CB 1.600 20.554 19.000 -0.076 0.000 1.131 330 A HN -0.533 7.665 8.150 0.038 -0.025 0.493 331 R N 3.487 123.890 120.500 -0.161 0.000 2.609 331 R HA 0.016 nan 4.340 nan 0.000 0.271 331 R C -0.935 175.162 176.300 -0.337 0.000 1.403 331 R CA -0.104 55.905 56.100 -0.152 0.000 1.138 331 R CB -0.705 29.578 30.300 -0.027 0.000 1.142 331 R HN 0.331 8.528 8.270 -0.122 0.000 0.559 332 V N -0.214 119.506 119.914 -0.324 0.000 2.612 332 V HA 0.524 nan 4.120 nan 0.000 0.301 332 V C -0.444 175.521 176.094 -0.216 0.000 1.046 332 V CA -2.901 59.157 62.300 -0.404 0.000 0.946 332 V CB 1.477 33.103 31.823 -0.329 0.000 1.003 332 V HN -0.176 7.869 8.190 -0.214 0.017 0.459 333 L N 3.914 125.031 121.223 -0.176 0.000 2.482 333 L HA 0.092 nan 4.340 nan 0.000 0.273 333 L C -0.113 176.747 176.870 -0.018 0.000 1.228 333 L CA 0.194 55.010 54.840 -0.040 0.000 0.827 333 L CB 0.836 42.933 42.059 0.063 0.000 1.099 333 L HN 0.376 8.458 8.230 -0.246 0.000 0.494 334 R N 1.144 121.664 120.500 0.032 0.000 2.291 334 R HA -0.119 nan 4.340 nan 0.000 0.333 334 R C -0.816 175.494 176.300 0.017 0.000 1.082 334 R CA 0.170 56.274 56.100 0.006 0.000 0.948 334 R CB 0.001 30.313 30.300 0.021 0.000 1.009 334 R HN 0.220 8.522 8.270 0.055 0.000 0.460 335 N N 7.150 125.752 118.700 -0.163 0.000 2.605 335 N HA -0.123 nan 4.740 nan 0.000 0.258 335 N C -0.603 174.722 175.510 -0.307 0.000 1.156 335 N CA -0.400 52.362 53.050 -0.479 0.000 1.008 335 N CB 0.188 38.347 38.487 -0.546 0.000 1.354 335 N HN 0.264 8.692 8.380 -0.151 -0.139 0.509 336 E N 3.453 123.542 120.200 -0.183 0.000 2.382 336 E HA -0.119 nan 4.350 nan 0.000 0.190 336 E C -0.351 175.944 176.600 -0.508 0.000 1.125 336 E CA 0.459 56.700 56.400 -0.265 0.000 0.929 336 E CB -0.129 29.432 29.700 -0.231 0.000 1.053 336 E HN -0.085 8.293 8.360 0.031 0.000 0.475 337 H N -3.037 116.017 119.070 -0.025 0.000 2.006 337 H HA 0.168 nan 4.556 nan 0.000 0.189 337 H C -0.767 174.577 175.328 0.026 0.000 0.887 337 H CA -0.037 56.053 56.048 0.069 0.000 0.958 337 H CB 1.984 31.917 29.762 0.285 0.000 1.163 337 H HN -0.458 7.798 8.280 -0.261 -0.132 0.364 338 S N 1.357 117.112 115.700 0.092 0.000 2.952 338 S HA -0.184 nan 4.470 nan 0.000 0.351 338 S C 1.044 175.672 174.600 0.046 0.000 1.211 338 S CA 0.297 58.537 58.200 0.068 0.000 1.002 338 S CB 1.217 64.428 63.200 0.018 0.000 0.702 338 S HN -0.472 8.076 8.310 -0.012 -0.246 0.495 339 T N -0.298 114.286 114.554 0.049 0.000 3.148 339 T HA 0.003 nan 4.350 nan 0.000 0.253 339 T C -0.364 174.339 174.700 0.005 0.000 1.134 339 T CA 0.234 62.350 62.100 0.026 0.000 1.051 339 T CB -0.416 68.466 68.868 0.023 0.000 0.959 339 T HN 0.177 8.453 8.240 0.059 0.000 0.525 340 Q N -1.181 118.621 119.800 0.003 0.000 2.391 340 Q HA 0.226 nan 4.340 nan 0.000 0.279 340 Q C -2.039 173.946 176.000 -0.024 0.000 1.028 340 Q CA -1.660 54.135 55.803 -0.013 0.000 0.836 340 Q CB 2.748 31.488 28.738 0.003 0.000 1.414 340 Q HN -0.221 7.994 8.270 0.016 0.064 0.397 341 R N 3.171 123.629 120.500 -0.070 0.000 2.459 341 R HA -0.068 nan 4.340 nan 0.000 0.301 341 R C -0.289 175.991 176.300 -0.034 0.000 1.286 341 R CA 0.034 56.066 56.100 -0.114 0.000 1.046 341 R CB -0.502 29.639 30.300 -0.266 0.000 1.071 341 R HN 0.548 8.768 8.270 -0.084 0.000 0.512 342 L N 7.190 128.431 121.223 0.029 0.000 2.544 342 L HA -0.146 nan 4.340 nan 0.000 0.240 342 L C -1.242 175.696 176.870 0.114 0.000 1.421 342 L CA -0.157 54.767 54.840 0.139 0.000 1.206 342 L CB -2.282 39.855 42.059 0.130 0.000 1.463 342 L HN -0.159 8.077 8.230 0.011 0.000 0.437 343 A N -0.525 122.378 122.820 0.139 0.000 2.485 343 A HA 0.499 nan 4.320 nan 0.000 0.292 343 A C -2.255 175.525 177.584 0.327 0.000 1.147 343 A CA -1.366 50.758 52.037 0.144 0.000 0.750 343 A CB 3.300 22.314 19.000 0.023 0.000 1.331 343 A HN -0.164 7.990 8.150 0.118 0.066 0.419 344 Y N 0.333 120.668 120.300 0.059 0.000 2.519 344 Y HA 0.228 nan 4.550 nan 0.000 0.324 344 Y C -1.104 174.758 175.900 -0.064 0.000 1.214 344 Y CA -0.469 57.595 58.100 -0.060 0.000 1.260 344 Y CB 3.268 41.476 38.460 -0.420 0.000 1.311 344 Y HN 0.019 8.371 8.280 0.119 0.000 0.505 345 R N 2.297 122.335 120.500 -0.771 0.000 2.302 345 R HA 0.037 nan 4.340 nan 0.000 0.187 345 R C -2.562 173.459 176.300 -0.465 0.000 0.904 345 R CA 0.304 56.008 56.100 -0.661 0.000 1.105 345 R CB 1.937 31.716 30.300 -0.868 0.000 1.239 345 R HN 0.455 7.764 8.270 -1.602 0.000 0.620 346 D N -3.964 116.138 120.400 -0.497 0.000 2.620 346 D HA 0.346 nan 4.640 nan 0.000 0.252 346 D C -1.143 175.250 176.300 0.154 0.000 1.207 346 D CA -2.826 51.111 54.000 -0.106 0.000 0.884 346 D CB 2.961 43.651 40.800 -0.184 0.000 1.262 346 D HN -0.500 7.312 8.370 -0.931 0.000 0.552 347 P HA 0.082 nan 4.420 nan 0.000 0.224 347 P C -0.492 176.889 177.300 0.134 0.000 1.159 347 P CA 0.972 64.233 63.100 0.268 0.000 0.824 347 P CB 0.814 32.675 31.700 0.268 0.000 0.833 348 E N -4.525 115.725 120.200 0.083 0.000 1.669 348 E HA -0.070 nan 4.350 nan 0.000 0.205 348 E C 0.328 176.937 176.600 0.015 0.000 0.997 348 E CA 0.504 56.927 56.400 0.038 0.000 1.175 348 E CB 0.882 30.604 29.700 0.036 0.000 4.216 348 E HN -0.017 8.397 8.360 0.091 0.000 0.831 349 T N -2.652 111.918 114.554 0.026 0.000 2.755 349 T HA -0.003 nan 4.350 nan 0.000 0.251 349 T C 0.543 175.227 174.700 -0.027 0.000 1.044 349 T CA 0.871 62.976 62.100 0.008 0.000 1.154 349 T CB 0.070 68.956 68.868 0.030 0.000 0.866 349 T HN -0.288 7.985 8.240 0.054 0.000 0.416 350 G N 1.266 110.046 108.800 -0.033 0.000 2.247 350 G HA2 -0.199 nan 3.960 nan 0.000 0.111 350 G HA3 -0.199 nan 3.960 nan 0.000 0.111 350 G C -1.428 173.396 174.900 -0.127 0.000 1.045 350 G CA -0.489 44.526 45.100 -0.141 0.000 0.715 350 G HN 0.036 8.340 8.290 0.024 0.000 0.485 351 K N 0.968 121.387 120.400 0.031 0.000 2.267 351 K HA 0.168 nan 4.320 nan 0.000 0.282 351 K C -0.630 176.142 176.600 0.288 0.000 1.078 351 K CA -2.427 53.951 56.287 0.151 0.000 0.903 351 K CB 0.441 33.058 32.500 0.195 0.000 1.111 351 K HN -0.672 7.631 8.250 0.088 0.000 0.475 352 W N 5.794 127.181 121.300 0.146 0.000 2.308 352 W HA -0.205 nan 4.660 nan 0.000 0.324 352 W C -0.374 176.283 176.519 0.229 0.000 1.387 352 W CA 0.408 57.809 57.345 0.093 0.000 1.250 352 W CB -0.038 29.446 29.460 0.039 0.000 1.257 352 W HN 0.150 8.497 8.180 0.278 0.000 0.554 353 F N -1.922 118.251 119.950 0.371 0.000 2.662 353 F HA 0.500 nan 4.527 nan 0.000 0.312 353 F C -2.721 173.198 175.800 0.198 0.000 1.113 353 F CA -1.919 56.216 58.000 0.225 0.000 0.951 353 F CB 2.548 41.643 39.000 0.158 0.000 1.344 353 F HN 0.093 8.452 8.300 0.099 0.000 0.462 354 V N 2.063 122.196 119.914 0.365 0.000 2.333 354 V HA 0.199 nan 4.120 nan 0.000 0.274 354 V C -1.634 174.620 176.094 0.266 0.000 1.028 354 V CA -3.208 59.209 62.300 0.194 0.000 0.851 354 V CB -0.785 31.108 31.823 0.117 0.000 1.000 354 V HN 0.539 8.955 8.190 0.378 0.000 0.456 355 P HA -0.013 nan 4.420 nan 0.000 0.266 355 P C -1.601 175.887 177.300 0.313 0.000 1.195 355 P CA -0.274 62.956 63.100 0.216 0.000 0.768 355 P CB 0.509 32.221 31.700 0.020 0.000 0.838 356 Y N 0.888 121.294 120.300 0.176 0.000 2.316 356 Y HA 0.270 nan 4.550 nan 0.000 0.324 356 Y C -0.752 175.249 175.900 0.168 0.000 1.267 356 Y CA -2.225 55.968 58.100 0.156 0.000 1.311 356 Y CB 1.527 40.089 38.460 0.170 0.000 1.267 356 Y HN 0.150 8.630 8.280 0.333 0.000 0.516 357 V N -0.590 119.482 119.914 0.264 0.000 2.925 357 V HA 0.618 nan 4.120 nan 0.000 0.311 357 V C -1.893 174.243 176.094 0.070 0.000 1.104 357 V CA -2.843 59.545 62.300 0.147 0.000 0.954 357 V CB 3.667 35.567 31.823 0.128 0.000 1.022 357 V HN -0.373 7.923 8.190 0.177 0.000 0.427 358 I N 5.338 125.920 120.570 0.019 0.000 2.377 358 I HA 0.354 nan 4.170 nan 0.000 0.293 358 I C -2.078 173.903 176.117 -0.225 0.000 0.987 358 I CA -2.172 59.086 61.300 -0.069 0.000 1.185 358 I CB 1.763 39.800 38.000 0.062 0.000 1.341 358 I HN 0.379 8.598 8.210 0.015 0.000 0.455 359 E N 7.634 127.707 120.200 -0.212 0.000 2.182 359 E HA 0.502 nan 4.350 nan 0.000 0.258 359 E C -2.776 173.704 176.600 -0.200 0.000 0.879 359 E CA -3.631 52.645 56.400 -0.208 0.000 0.754 359 E CB 3.053 32.726 29.700 -0.045 0.000 1.162 359 E HN -0.109 8.133 8.360 -0.197 0.000 0.419 360 P HA 0.252 nan 4.420 nan 0.000 0.270 360 P C -1.718 175.542 177.300 -0.068 0.000 1.551 360 P CA -0.834 62.171 63.100 -0.159 0.000 1.049 360 P CB 0.141 31.677 31.700 -0.272 0.000 1.397 361 S N 6.954 122.651 115.700 -0.006 0.000 2.422 361 S HA 0.308 nan 4.470 nan 0.000 0.308 361 S C -1.566 173.064 174.600 0.050 0.000 1.097 361 S CA -0.381 57.819 58.200 0.001 0.000 1.099 361 S CB 1.071 64.287 63.200 0.027 0.000 0.976 361 S HN 0.130 8.450 8.310 0.017 0.000 0.471 362 A N 5.464 128.288 122.820 0.007 0.000 2.337 362 A HA 0.892 nan 4.320 nan 0.000 0.331 362 A C -1.534 176.075 177.584 0.042 0.000 1.137 362 A CA -2.379 49.723 52.037 0.109 0.000 0.807 362 A CB 2.794 21.946 19.000 0.254 0.000 1.250 362 A HN 0.718 8.805 8.150 -0.106 0.000 0.468 363 G N -0.628 108.214 108.800 0.070 0.000 2.322 363 G HA2 0.338 nan 3.960 nan 0.000 0.309 363 G HA3 0.338 nan 3.960 nan 0.000 0.309 363 G C -0.190 174.743 174.900 0.055 0.000 1.121 363 G CA -0.885 44.239 45.100 0.040 0.000 0.886 363 G HN -0.261 8.079 8.290 0.084 0.000 0.447 364 V N 5.823 125.752 119.914 0.025 0.000 2.358 364 V HA -0.491 nan 4.120 nan 0.000 0.246 364 V C 1.628 177.753 176.094 0.052 0.000 1.047 364 V CA 4.174 66.488 62.300 0.023 0.000 1.035 364 V CB -0.170 31.613 31.823 -0.067 0.000 0.658 364 V HN 0.661 8.756 8.190 0.014 0.103 0.452 365 D N -0.914 119.512 120.400 0.043 0.000 2.117 365 D HA -0.297 nan 4.640 nan 0.000 0.197 365 D C 2.323 178.607 176.300 -0.026 0.000 0.987 365 D CA 4.356 58.392 54.000 0.060 0.000 0.829 365 D CB -0.659 40.177 40.800 0.059 0.000 0.961 365 D HN -0.367 8.034 8.370 0.052 0.000 0.460 366 R N -0.571 119.864 120.500 -0.109 0.000 2.090 366 R HA -0.199 nan 4.340 nan 0.000 0.228 366 R C 2.309 178.584 176.300 -0.042 0.000 1.110 366 R CA 2.927 58.929 56.100 -0.163 0.000 0.973 366 R CB -0.283 29.783 30.300 -0.389 0.000 0.869 366 R HN -0.014 8.191 8.270 -0.109 0.000 0.440 367 G N -0.582 108.203 108.800 -0.025 0.000 2.442 367 G HA2 -0.310 nan 3.960 nan 0.000 0.219 367 G HA3 -0.310 nan 3.960 nan 0.000 0.219 367 G C 1.134 176.063 174.900 0.048 0.000 1.141 367 G CA 2.433 47.533 45.100 -0.001 0.000 0.763 367 G HN -0.026 8.278 8.290 0.023 0.000 0.554 368 V N 3.252 123.217 119.914 0.084 0.000 2.323 368 V HA -0.326 nan 4.120 nan 0.000 0.244 368 V C 1.725 177.848 176.094 0.049 0.000 1.041 368 V CA 3.513 65.861 62.300 0.081 0.000 1.025 368 V CB -0.674 31.230 31.823 0.135 0.000 0.656 368 V HN -0.446 7.695 8.190 0.088 0.102 0.451 369 L N -1.035 120.239 121.223 0.086 0.000 2.013 369 L HA -0.520 nan 4.340 nan 0.000 0.212 369 L C 1.742 178.720 176.870 0.179 0.000 1.073 369 L CA 3.315 58.281 54.840 0.211 0.000 0.753 369 L CB -0.667 41.601 42.059 0.348 0.000 0.890 369 L HN -0.242 7.954 8.230 0.063 0.072 0.432 370 A N -0.626 122.195 122.820 0.001 0.000 1.837 370 A HA -0.412 nan 4.320 nan 0.000 0.216 370 A C 1.744 179.141 177.584 -0.312 0.000 1.210 370 A CA 3.267 54.990 52.037 -0.523 0.000 0.632 370 A CB -1.017 17.363 19.000 -1.034 0.000 0.843 370 A HN 0.427 8.491 8.150 0.043 0.112 0.448 371 L N -2.408 118.686 121.223 -0.216 0.000 2.103 371 L HA -0.488 nan 4.340 nan 0.000 0.215 371 L C 2.761 179.604 176.870 -0.045 0.000 1.080 371 L CA 2.905 57.688 54.840 -0.095 0.000 0.764 371 L CB -0.385 41.667 42.059 -0.011 0.000 0.890 371 L HN -0.237 7.871 8.230 -0.204 0.000 0.435 372 L N -2.563 118.641 121.223 -0.032 0.000 2.068 372 L HA -0.357 nan 4.340 nan 0.000 0.204 372 L C 1.740 178.641 176.870 0.052 0.000 1.076 372 L CA 2.735 57.560 54.840 -0.024 0.000 0.753 372 L CB -0.522 41.488 42.059 -0.081 0.000 0.910 372 L HN -0.045 8.145 8.230 -0.027 0.023 0.439 373 A N -0.561 122.301 122.820 0.070 0.000 1.851 373 A HA -0.419 nan 4.320 nan 0.000 0.216 373 A C 2.239 179.902 177.584 0.132 0.000 1.195 373 A CA 3.383 55.486 52.037 0.110 0.000 0.622 373 A CB -1.067 18.042 19.000 0.181 0.000 0.831 373 A HN 0.413 8.604 8.150 0.069 0.000 0.444 374 E N -0.411 119.856 120.200 0.110 0.000 2.097 374 E HA -0.312 nan 4.350 nan 0.000 0.196 374 E C 1.731 178.377 176.600 0.077 0.000 1.000 374 E CA 2.437 58.900 56.400 0.105 0.000 0.804 374 E CB -0.177 29.553 29.700 0.050 0.000 0.740 374 E HN 0.188 8.482 8.360 0.067 0.106 0.454 375 A N -2.130 120.728 122.820 0.063 0.000 1.975 375 A HA -0.102 nan 4.320 nan 0.000 0.215 375 A C 0.590 178.220 177.584 0.077 0.000 1.170 375 A CA 0.544 52.609 52.037 0.047 0.000 0.656 375 A CB 0.466 19.477 19.000 0.018 0.000 0.821 375 A HN -0.716 7.385 8.150 0.050 0.079 0.449 376 F N 2.312 122.250 119.950 -0.021 0.000 2.484 376 F HA -0.297 nan 4.527 nan 0.000 0.355 376 F C -1.605 174.189 175.800 -0.010 0.000 1.170 376 F CA 0.422 58.412 58.000 -0.015 0.000 1.025 376 F CB -0.454 38.536 39.000 -0.017 0.000 1.107 376 F HN -0.228 8.226 8.300 0.257 0.000 0.589 377 T N 3.520 117.876 114.554 -0.329 0.000 2.918 377 T HA 0.440 nan 4.350 nan 0.000 0.286 377 T C -1.500 172.928 174.700 -0.455 0.000 1.026 377 T CA -2.428 59.520 62.100 -0.254 0.000 1.031 377 T CB 3.325 72.115 68.868 -0.130 0.000 1.046 377 T HN 0.218 8.166 8.240 -0.319 0.101 0.479 378 R N -0.016 120.316 120.500 -0.281 0.000 2.674 378 R HA 0.378 nan 4.340 nan 0.000 0.270 378 R C -0.909 175.319 176.300 -0.121 0.000 1.492 378 R CA -1.658 54.292 56.100 -0.250 0.000 1.624 378 R CB -0.654 29.516 30.300 -0.217 0.000 1.307 378 R HN 0.357 8.534 8.270 -0.155 0.000 0.683 379 E N 1.250 121.383 120.200 -0.112 0.000 2.438 379 E HA -0.216 nan 4.350 nan 0.000 0.261 379 E C -1.626 174.940 176.600 -0.057 0.000 1.103 379 E CA 0.018 56.375 56.400 -0.071 0.000 0.959 379 E CB 0.505 30.164 29.700 -0.068 0.000 0.958 379 E HN 0.119 8.395 8.360 -0.139 0.000 0.447 380 E N 1.008 121.184 120.200 -0.040 0.000 2.231 380 E HA 0.440 nan 4.350 nan 0.000 0.277 380 E C -0.703 175.879 176.600 -0.030 0.000 0.999 380 E CA -1.621 54.761 56.400 -0.030 0.000 0.827 380 E CB 1.633 31.321 29.700 -0.021 0.000 1.101 380 E HN 0.029 8.367 8.360 -0.037 0.000 0.393 381 L N 7.246 128.453 121.223 -0.027 0.000 2.305 381 L HA 0.270 nan 4.340 nan 0.000 0.281 381 L C -1.421 175.436 176.870 -0.022 0.000 1.085 381 L CA -1.956 52.868 54.840 -0.028 0.000 0.813 381 L CB 0.393 42.435 42.059 -0.028 0.000 1.157 381 L HN 0.612 8.713 8.230 -0.024 0.115 0.436 382 P HA -0.009 nan 4.420 nan 0.000 0.259 382 P C -1.336 175.956 177.300 -0.015 0.000 1.307 382 P CA 0.846 63.935 63.100 -0.017 0.000 0.768 382 P CB -0.191 31.498 31.700 -0.018 0.000 1.199 383 N N -3.020 115.671 118.700 -0.015 0.000 3.192 383 N HA -0.012 nan 4.740 nan 0.000 0.293 383 N C 0.702 176.206 175.510 -0.010 0.000 1.008 383 N CA 0.218 53.261 53.050 -0.012 0.000 1.375 383 N CB 0.321 38.800 38.487 -0.014 0.000 1.032 383 N HN -0.257 7.952 8.380 -0.017 0.160 1.227 384 G N 1.322 110.115 108.800 -0.012 0.000 2.467 384 G HA2 -0.046 nan 3.960 nan 0.000 0.243 384 G HA3 -0.046 nan 3.960 nan 0.000 0.243 384 G C -0.667 174.228 174.900 -0.008 0.000 1.521 384 G CA 0.866 45.962 45.100 -0.008 0.000 1.055 384 G HN -0.059 8.222 8.290 -0.015 0.000 0.553 385 E N 0.598 120.794 120.200 -0.006 0.000 2.928 385 E HA 0.025 nan 4.350 nan 0.000 0.352 385 E C 0.064 176.658 176.600 -0.011 0.000 0.523 385 E CA 0.434 56.831 56.400 -0.006 0.000 2.011 385 E CB 0.533 30.232 29.700 -0.001 0.000 1.898 385 E HN 0.335 8.692 8.360 -0.005 0.000 0.516 386 E N -0.774 119.419 120.200 -0.012 0.000 2.392 386 E HA 0.738 nan 4.350 nan 0.000 0.269 386 E C -1.412 175.172 176.600 -0.027 0.000 0.924 386 E CA -1.587 54.800 56.400 -0.022 0.000 0.784 386 E CB 3.194 32.882 29.700 -0.019 0.000 1.292 386 E HN -0.344 8.012 8.360 -0.007 0.000 0.447 387 R N -0.908 119.563 120.500 -0.048 0.000 2.725 387 R HA 0.334 nan 4.340 nan 0.000 0.277 387 R C -1.576 174.657 176.300 -0.113 0.000 0.987 387 R CA -1.537 54.529 56.100 -0.058 0.000 0.901 387 R CB 3.167 33.435 30.300 -0.053 0.000 1.207 387 R HN 0.487 8.722 8.270 -0.058 0.000 0.463 388 I N 1.960 122.450 120.570 -0.133 0.000 2.331 388 I HA 0.129 nan 4.170 nan 0.000 0.292 388 I C -1.606 174.359 176.117 -0.253 0.000 0.998 388 I CA -0.360 60.761 61.300 -0.298 0.000 1.267 388 I CB 1.545 39.405 38.000 -0.234 0.000 1.386 388 I HN 0.106 8.270 8.210 -0.077 0.000 0.476 389 V N 7.680 127.403 119.914 -0.318 0.000 2.409 389 V HA 0.389 nan 4.120 nan 0.000 0.290 389 V C -0.748 175.245 176.094 -0.168 0.000 1.017 389 V CA -1.299 60.892 62.300 -0.181 0.000 0.841 389 V CB 1.428 33.172 31.823 -0.130 0.000 1.003 389 V HN 1.109 8.924 8.190 -0.429 0.118 0.426 390 L N 8.758 129.940 121.223 -0.069 0.000 2.418 390 L HA 0.008 nan 4.340 nan 0.000 0.274 390 L C -0.979 175.877 176.870 -0.024 0.000 1.135 390 L CA 0.233 55.069 54.840 -0.006 0.000 0.870 390 L CB 0.231 42.337 42.059 0.078 0.000 1.154 390 L HN 0.195 8.410 8.230 -0.026 0.000 0.462 391 K N 5.282 125.661 120.400 -0.035 0.000 2.655 391 K HA 0.070 nan 4.320 nan 0.000 0.213 391 K C -1.354 175.220 176.600 -0.043 0.000 1.126 391 K CA -1.184 55.072 56.287 -0.052 0.000 1.076 391 K CB -0.373 32.088 32.500 -0.064 0.000 1.644 391 K HN -0.101 8.000 8.250 -0.025 0.134 0.523 392 L N 0.395 121.598 121.223 -0.033 0.000 2.436 392 L HA -0.031 nan 4.340 nan 0.000 0.265 392 L C 0.084 176.912 176.870 -0.070 0.000 1.168 392 L CA -0.439 54.382 54.840 -0.032 0.000 0.815 392 L CB 1.114 43.174 42.059 0.002 0.000 1.109 392 L HN -0.517 7.657 8.230 -0.022 0.044 0.462 393 K N 3.002 123.354 120.400 -0.080 0.000 2.395 393 K HA -0.042 nan 4.320 nan 0.000 0.283 393 K C -0.733 175.754 176.600 -0.188 0.000 1.068 393 K CA -0.633 55.568 56.287 -0.144 0.000 1.039 393 K CB -0.540 31.867 32.500 -0.155 0.000 0.924 393 K HN 0.409 8.626 8.250 -0.055 0.000 0.468 394 P HA -0.368 nan 4.420 nan 0.000 0.225 394 P C 1.474 178.642 177.300 -0.221 0.000 1.154 394 P CA 2.825 65.811 63.100 -0.190 0.000 0.933 394 P CB -0.159 31.429 31.700 -0.186 0.000 0.790 395 Q N -3.504 116.031 119.800 -0.440 0.000 2.368 395 Q HA -0.177 nan 4.340 nan 0.000 0.210 395 Q C 1.575 177.450 176.000 -0.208 0.000 0.982 395 Q CA 2.814 58.248 55.803 -0.616 0.000 0.884 395 Q CB -0.608 27.015 28.738 -1.858 0.000 0.933 395 Q HN 0.511 8.454 8.270 -0.523 0.013 0.460 396 L N -5.311 115.847 121.223 -0.107 0.000 2.766 396 L HA 0.085 nan 4.340 nan 0.000 0.242 396 L C -0.554 176.361 176.870 0.075 0.000 1.136 396 L CA -1.178 53.711 54.840 0.082 0.000 0.933 396 L CB -0.261 41.867 42.059 0.115 0.000 1.241 396 L HN -0.032 7.895 8.230 -0.190 0.189 0.522 397 A N 0.703 123.544 122.820 0.034 0.000 2.445 397 A HA 0.199 nan 4.320 nan 0.000 0.242 397 A C -1.431 176.219 177.584 0.111 0.000 1.075 397 A CA -1.523 50.556 52.037 0.071 0.000 0.777 397 A CB 0.036 19.057 19.000 0.035 0.000 1.013 397 A HN -0.487 7.532 8.150 -0.020 0.119 0.493 398 P HA -0.162 nan 4.420 nan 0.000 0.215 398 P C -1.030 176.336 177.300 0.110 0.000 1.153 398 P CA 2.270 65.458 63.100 0.147 0.000 0.853 398 P CB 0.366 32.171 31.700 0.174 0.000 0.788 399 I N -5.890 114.746 120.570 0.110 0.000 2.646 399 I HA 0.063 nan 4.170 nan 0.000 0.299 399 I C -0.520 175.640 176.117 0.072 0.000 1.036 399 I CA -1.204 60.150 61.300 0.091 0.000 1.074 399 I CB 2.549 40.611 38.000 0.103 0.000 1.258 399 I HN -0.659 7.626 8.210 0.125 0.000 0.430 400 K N 2.738 123.175 120.400 0.062 0.000 2.108 400 K HA 0.235 nan 4.320 nan 0.000 0.204 400 K C -0.618 176.037 176.600 0.093 0.000 1.036 400 K CA 0.703 57.031 56.287 0.067 0.000 0.965 400 K CB 1.115 33.651 32.500 0.060 0.000 0.804 400 K HN 0.490 8.777 8.250 0.062 0.000 0.454 401 V N -3.550 116.404 119.914 0.067 0.000 2.680 401 V HA 0.591 nan 4.120 nan 0.000 0.309 401 V C -1.879 174.208 176.094 -0.011 0.000 1.052 401 V CA -1.815 60.522 62.300 0.060 0.000 0.908 401 V CB 2.386 34.244 31.823 0.057 0.000 1.001 401 V HN -0.739 7.483 8.190 0.054 0.000 0.431 402 A N 5.494 128.261 122.820 -0.089 0.000 2.310 402 A HA 0.750 nan 4.320 nan 0.000 0.304 402 A C -1.462 176.069 177.584 -0.089 0.000 1.231 402 A CA -1.624 50.303 52.037 -0.183 0.000 0.799 402 A CB 1.630 20.235 19.000 -0.660 0.000 1.162 402 A HN 0.521 8.635 8.150 -0.061 0.000 0.486 403 V N 5.086 125.001 119.914 0.002 0.000 2.432 403 V HA 0.319 nan 4.120 nan 0.000 0.271 403 V C -0.995 175.134 176.094 0.058 0.000 1.046 403 V CA -0.153 62.182 62.300 0.057 0.000 0.945 403 V CB -0.073 31.816 31.823 0.110 0.000 0.992 403 V HN 0.990 9.099 8.190 0.028 0.097 0.471 404 I N 4.703 125.283 120.570 0.017 0.000 2.418 404 I HA 0.470 nan 4.170 nan 0.000 0.287 404 I C -2.255 173.864 176.117 0.003 0.000 1.008 404 I CA -3.481 57.802 61.300 -0.029 0.000 1.104 404 I CB 2.470 40.388 38.000 -0.137 0.000 1.264 404 I HN 1.005 9.225 8.210 0.015 0.000 0.438 405 P HA 0.343 nan 4.420 nan 0.000 0.281 405 P C -0.409 176.874 177.300 -0.029 0.000 1.252 405 P CA -0.628 62.494 63.100 0.036 0.000 0.778 405 P CB 0.505 32.267 31.700 0.104 0.000 0.895 406 L N 4.817 126.012 121.223 -0.046 0.000 1.989 406 L HA -0.260 nan 4.340 nan 0.000 0.211 406 L C -0.447 176.402 176.870 -0.034 0.000 1.071 406 L CA 2.603 57.419 54.840 -0.041 0.000 0.749 406 L CB 0.348 42.396 42.059 -0.018 0.000 0.890 406 L HN 0.643 8.744 8.230 -0.049 0.100 0.431 407 V N -6.967 112.904 119.914 -0.071 0.000 2.459 407 V HA 0.225 nan 4.120 nan 0.000 0.295 407 V C -0.365 175.704 176.094 -0.042 0.000 1.029 407 V CA -1.850 60.430 62.300 -0.034 0.000 0.874 407 V CB 1.310 33.129 31.823 -0.008 0.000 0.985 407 V HN -0.466 7.639 8.190 -0.143 0.000 0.438 408 K N 3.148 123.542 120.400 -0.010 0.000 2.432 408 K HA -0.108 nan 4.320 nan 0.000 0.196 408 K C 0.124 176.730 176.600 0.009 0.000 1.038 408 K CA 0.965 57.254 56.287 0.002 0.000 0.986 408 K CB -0.511 31.991 32.500 0.002 0.000 0.782 408 K HN 0.357 8.606 8.250 -0.001 0.000 0.485 409 N N -0.785 117.920 118.700 0.008 0.000 2.085 409 N HA -0.224 nan 4.740 nan 0.000 0.191 409 N C -0.142 175.372 175.510 0.006 0.000 1.058 409 N CA 1.222 54.283 53.050 0.019 0.000 0.849 409 N CB -0.009 38.504 38.487 0.043 0.000 1.038 409 N HN -0.375 7.947 8.380 0.008 0.062 0.434 410 R N 0.882 121.370 120.500 -0.019 0.000 2.976 410 R HA 0.048 nan 4.340 nan 0.000 0.354 410 R C -0.575 175.701 176.300 -0.040 0.000 0.794 410 R CA -1.047 55.027 56.100 -0.043 0.000 1.085 410 R CB -0.539 29.657 30.300 -0.173 0.000 0.896 410 R HN 0.275 8.532 8.270 -0.021 0.000 0.393 411 P HA -0.119 nan 4.420 nan 0.000 0.220 411 P C 0.864 178.163 177.300 -0.002 0.000 1.148 411 P CA 2.074 65.175 63.100 0.002 0.000 0.803 411 P CB -0.077 31.629 31.700 0.011 0.000 0.782 412 E N -1.719 118.480 120.200 -0.003 0.000 2.204 412 E HA -0.209 nan 4.350 nan 0.000 0.194 412 E C 2.251 178.859 176.600 0.014 0.000 0.989 412 E CA 2.800 59.206 56.400 0.010 0.000 0.824 412 E CB -0.784 28.925 29.700 0.014 0.000 0.756 412 E HN 0.356 8.681 8.360 -0.003 0.032 0.477 413 I N -0.722 119.824 120.570 -0.040 0.000 2.206 413 I HA -0.389 nan 4.170 nan 0.000 0.239 413 I C 1.724 177.859 176.117 0.031 0.000 1.078 413 I CA 3.487 64.758 61.300 -0.049 0.000 1.367 413 I CB 0.005 37.894 38.000 -0.186 0.000 1.078 413 I HN -0.404 7.623 8.210 -0.066 0.143 0.413 414 T N -0.476 114.085 114.554 0.012 0.000 2.665 414 T HA -0.485 nan 4.350 nan 0.000 0.268 414 T C 1.642 176.299 174.700 -0.071 0.000 1.035 414 T CA 4.590 66.712 62.100 0.036 0.000 1.151 414 T CB -0.940 67.974 68.868 0.078 0.000 0.862 414 T HN -0.218 8.014 8.240 -0.013 0.000 0.438 415 E N 1.730 121.899 120.200 -0.052 0.000 2.070 415 E HA -0.441 nan 4.350 nan 0.000 0.197 415 E C 1.606 178.146 176.600 -0.100 0.000 1.004 415 E CA 3.226 59.572 56.400 -0.089 0.000 0.805 415 E CB -0.162 29.517 29.700 -0.034 0.000 0.744 415 E HN -0.278 8.071 8.360 -0.018 0.000 0.451 416 Y N 0.161 120.401 120.300 -0.101 0.000 2.165 416 Y HA -0.463 nan 4.550 nan 0.000 0.286 416 Y C 1.436 177.275 175.900 -0.102 0.000 1.155 416 Y CA 3.174 61.222 58.100 -0.087 0.000 1.164 416 Y CB -0.099 38.320 38.460 -0.068 0.000 0.978 416 Y HN -0.741 7.536 8.280 0.120 0.074 0.513 417 A N -1.502 121.310 122.820 -0.014 0.000 1.841 417 A HA -0.471 nan 4.320 nan 0.000 0.216 417 A C 1.738 179.169 177.584 -0.255 0.000 1.199 417 A CA 3.363 55.373 52.037 -0.044 0.000 0.621 417 A CB -0.728 18.332 19.000 0.101 0.000 0.835 417 A HN 0.404 8.501 8.150 0.065 0.092 0.445 418 K N -2.023 118.051 120.400 -0.543 0.000 2.127 418 K HA -0.456 nan 4.320 nan 0.000 0.208 418 K C 2.637 179.036 176.600 -0.335 0.000 1.047 418 K CA 3.354 59.257 56.287 -0.641 0.000 0.927 418 K CB -0.362 31.742 32.500 -0.660 0.000 0.716 418 K HN 0.166 8.077 8.250 -0.566 0.000 0.450 419 R N -0.876 119.434 120.500 -0.316 0.000 2.066 419 R HA -0.266 nan 4.340 nan 0.000 0.232 419 R C 2.266 178.392 176.300 -0.290 0.000 1.131 419 R CA 3.027 58.951 56.100 -0.293 0.000 0.955 419 R CB -0.034 30.050 30.300 -0.360 0.000 0.851 419 R HN -0.285 7.678 8.270 -0.332 0.107 0.432 420 L N -0.062 120.952 121.223 -0.347 0.000 2.046 420 L HA -0.290 nan 4.340 nan 0.000 0.208 420 L C 1.231 178.027 176.870 -0.124 0.000 1.077 420 L CA 2.895 57.586 54.840 -0.248 0.000 0.747 420 L CB -0.658 41.277 42.059 -0.206 0.000 0.896 420 L HN 0.130 7.927 8.230 -0.401 0.192 0.432 421 K N -1.075 119.269 120.400 -0.094 0.000 2.089 421 K HA -0.495 nan 4.320 nan 0.000 0.210 421 K C 1.812 178.388 176.600 -0.039 0.000 1.048 421 K CA 3.277 59.545 56.287 -0.031 0.000 0.926 421 K CB -0.454 32.050 32.500 0.006 0.000 0.714 421 K HN 0.091 8.268 8.250 -0.123 0.000 0.448 422 A N -0.784 121.992 122.820 -0.073 0.000 1.835 422 A HA -0.315 nan 4.320 nan 0.000 0.215 422 A C 2.304 179.860 177.584 -0.047 0.000 1.199 422 A CA 3.098 55.100 52.037 -0.058 0.000 0.615 422 A CB -1.003 17.950 19.000 -0.079 0.000 0.838 422 A HN -0.578 7.498 8.150 -0.110 0.008 0.444 423 R N -1.560 118.901 120.500 -0.066 0.000 2.153 423 R HA -0.339 nan 4.340 nan 0.000 0.252 423 R C 2.823 179.107 176.300 -0.027 0.000 1.158 423 R CA 2.648 58.719 56.100 -0.049 0.000 0.975 423 R CB -0.372 29.887 30.300 -0.068 0.000 0.871 423 R HN -0.686 7.526 8.270 -0.096 0.000 0.450 424 L N -2.437 118.772 121.223 -0.024 0.000 2.131 424 L HA -0.175 nan 4.340 nan 0.000 0.206 424 L C 2.806 179.676 176.870 0.001 0.000 1.087 424 L CA 2.345 57.179 54.840 -0.009 0.000 0.767 424 L CB -0.153 41.904 42.059 -0.005 0.000 0.917 424 L HN -0.147 8.041 8.230 -0.036 0.020 0.441 425 L N 0.754 121.979 121.223 0.002 0.000 2.079 425 L HA -0.352 nan 4.340 nan 0.000 0.210 425 L C 1.792 178.670 176.870 0.014 0.000 1.081 425 L CA 2.511 57.359 54.840 0.013 0.000 0.752 425 L CB -1.243 40.824 42.059 0.013 0.000 0.896 425 L HN 0.170 8.318 8.230 -0.005 0.079 0.433 426 A N -1.195 121.628 122.820 0.005 0.000 1.986 426 A HA -0.286 nan 4.320 nan 0.000 0.220 426 A C 1.547 179.140 177.584 0.013 0.000 1.171 426 A CA 2.723 54.764 52.037 0.007 0.000 0.640 426 A CB -0.850 18.149 19.000 -0.002 0.000 0.811 426 A HN -0.100 8.039 8.150 -0.003 0.010 0.451 427 L N -4.641 116.589 121.223 0.012 0.000 2.127 427 L HA -0.281 nan 4.340 nan 0.000 0.211 427 L C 1.141 178.027 176.870 0.027 0.000 1.089 427 L CA 0.862 55.712 54.840 0.016 0.000 0.757 427 L CB 0.217 42.282 42.059 0.009 0.000 0.899 427 L HN -0.628 7.465 8.230 0.008 0.141 0.434 428 G N -2.709 106.110 108.800 0.031 0.000 2.160 428 G HA2 -0.265 nan 3.960 nan 0.000 0.244 428 G HA3 -0.265 nan 3.960 nan 0.000 0.244 428 G C 0.636 175.572 174.900 0.059 0.000 1.022 428 G CA 0.603 45.731 45.100 0.047 0.000 0.741 428 G HN -0.234 7.932 8.290 0.026 0.139 0.508 429 L N -2.482 118.767 121.223 0.044 0.000 2.554 429 L HA 0.026 nan 4.340 nan 0.000 0.226 429 L C 0.476 177.379 176.870 0.055 0.000 1.137 429 L CA 0.113 54.978 54.840 0.042 0.000 0.863 429 L CB 0.057 42.121 42.059 0.007 0.000 0.985 429 L HN -0.015 8.234 8.230 0.032 0.000 0.451 430 G N -3.248 105.590 108.800 0.063 0.000 2.347 430 G HA2 -0.234 nan 3.960 nan 0.000 0.341 430 G HA3 -0.234 nan 3.960 nan 0.000 0.341 430 G C -2.083 172.853 174.900 0.060 0.000 1.287 430 G CA -0.769 44.375 45.100 0.073 0.000 0.984 430 G HN -0.920 7.346 8.290 0.055 0.057 0.526 431 R N -1.102 119.438 120.500 0.066 0.000 2.538 431 R HA -0.074 nan 4.340 nan 0.000 0.282 431 R C -0.435 175.898 176.300 0.055 0.000 1.009 431 R CA 0.755 56.891 56.100 0.060 0.000 1.063 431 R CB 0.726 31.066 30.300 0.067 0.000 0.945 431 R HN 0.155 8.470 8.270 0.075 0.000 0.414 432 V N 5.660 125.604 119.914 0.050 0.000 2.815 432 V HA 0.641 nan 4.120 nan 0.000 0.314 432 V C -1.077 175.052 176.094 0.058 0.000 1.064 432 V CA -1.390 60.938 62.300 0.046 0.000 0.952 432 V CB 2.420 34.265 31.823 0.037 0.000 1.020 432 V HN -0.074 8.146 8.190 0.049 0.000 0.439 433 L N 3.351 124.608 121.223 0.057 0.000 2.408 433 L HA 0.550 nan 4.340 nan 0.000 0.268 433 L C -2.070 174.862 176.870 0.103 0.000 0.986 433 L CA -1.180 53.706 54.840 0.077 0.000 0.820 433 L CB 4.618 46.722 42.059 0.075 0.000 1.303 433 L HN 0.700 8.952 8.230 0.036 0.000 0.411 434 Y N 5.728 126.034 120.300 0.010 0.000 2.821 434 Y HA 0.125 nan 4.550 nan 0.000 0.331 434 Y C -1.917 173.993 175.900 0.017 0.000 1.251 434 Y CA -3.115 54.986 58.100 0.001 0.000 1.494 434 Y CB -0.645 37.812 38.460 -0.006 0.000 1.493 434 Y HN 0.330 8.723 8.280 0.189 0.000 0.496 435 E N 5.954 126.019 120.200 -0.225 0.000 2.265 435 E HA -0.180 nan 4.350 nan 0.000 0.272 435 E C -0.691 175.646 176.600 -0.439 0.000 1.067 435 E CA 0.269 56.527 56.400 -0.237 0.000 0.900 435 E CB 0.623 30.343 29.700 0.033 0.000 1.017 435 E HN -0.492 7.798 8.360 -0.071 0.027 0.431 436 D N 2.620 122.709 120.400 -0.518 0.000 2.462 436 D HA 0.080 nan 4.640 nan 0.000 0.221 436 D C -0.932 175.256 176.300 -0.186 0.000 1.173 436 D CA -0.425 53.331 54.000 -0.407 0.000 0.831 436 D CB -0.255 40.240 40.800 -0.508 0.000 1.001 436 D HN -0.200 7.898 8.370 -0.453 0.000 0.499 437 T N -3.587 110.880 114.554 -0.145 0.000 2.779 437 T HA 0.128 nan 4.350 nan 0.000 0.296 437 T C 1.602 176.262 174.700 -0.066 0.000 0.938 437 T CA -0.627 61.420 62.100 -0.088 0.000 1.119 437 T CB -0.206 68.616 68.868 -0.076 0.000 0.891 437 T HN -0.642 7.443 8.240 -0.155 0.062 0.526 438 G N 4.930 113.702 108.800 -0.046 0.000 3.304 438 G HA2 -0.555 nan 3.960 nan 0.000 0.859 438 G HA3 -0.555 nan 3.960 nan 0.000 0.859 438 G C -0.568 174.315 174.900 -0.028 0.000 0.958 438 G CA 1.272 46.355 45.100 -0.029 0.000 0.765 438 G HN 0.281 8.545 8.290 -0.044 0.000 1.149 439 N N 1.217 119.910 118.700 -0.012 0.000 2.315 439 N HA -0.212 nan 4.740 nan 0.000 0.270 439 N C 1.287 176.789 175.510 -0.015 0.000 1.329 439 N CA 0.361 53.411 53.050 0.001 0.000 0.860 439 N CB -0.009 38.489 38.487 0.018 0.000 1.095 439 N HN -0.137 8.239 8.380 -0.006 0.000 0.487 440 I N 7.140 127.690 120.570 -0.034 0.000 2.335 440 I HA -0.347 nan 4.170 nan 0.000 0.251 440 I C 0.783 176.895 176.117 -0.010 0.000 1.129 440 I CA 2.595 63.809 61.300 -0.144 0.000 1.402 440 I CB 0.211 38.093 38.000 -0.197 0.000 1.069 440 I HN 0.579 8.780 8.210 -0.015 0.000 0.424 441 G N -0.621 108.271 108.800 0.153 0.000 2.418 441 G HA2 -0.400 nan 3.960 nan 0.000 0.217 441 G HA3 -0.400 nan 3.960 nan 0.000 0.217 441 G C 0.422 175.430 174.900 0.181 0.000 1.158 441 G CA 2.349 47.601 45.100 0.254 0.000 0.771 441 G HN 0.576 9.191 8.290 0.103 -0.263 0.545 442 K N 2.080 122.533 120.400 0.087 0.000 2.025 442 K HA -0.195 nan 4.320 nan 0.000 0.207 442 K C 1.659 178.282 176.600 0.039 0.000 1.049 442 K CA 2.657 58.973 56.287 0.049 0.000 0.933 442 K CB -0.235 32.275 32.500 0.017 0.000 0.714 442 K HN -0.884 7.490 8.250 0.064 -0.085 0.438 443 A N -0.660 122.167 122.820 0.011 0.000 1.851 443 A HA -0.273 nan 4.320 nan 0.000 0.216 443 A C 2.167 179.842 177.584 0.152 0.000 1.195 443 A CA 3.126 55.173 52.037 0.015 0.000 0.622 443 A CB -1.052 17.908 19.000 -0.067 0.000 0.831 443 A HN 0.299 8.255 8.150 -0.013 0.186 0.444 444 Y N -1.412 118.959 120.300 0.118 0.000 2.069 444 Y HA -0.464 nan 4.550 nan 0.000 0.278 444 Y C 2.448 178.404 175.900 0.093 0.000 1.175 444 Y CA 3.586 61.756 58.100 0.117 0.000 1.134 444 Y CB -0.751 37.749 38.460 0.067 0.000 0.965 444 Y HN 0.175 8.367 8.280 0.040 0.112 0.498 445 R N -1.971 118.665 120.500 0.227 0.000 2.082 445 R HA -0.365 nan 4.340 nan 0.000 0.234 445 R C 2.189 178.523 176.300 0.058 0.000 1.136 445 R CA 1.727 57.894 56.100 0.111 0.000 0.935 445 R CB -0.855 29.489 30.300 0.073 0.000 0.842 445 R HN -0.265 8.151 8.270 0.244 0.000 0.430 446 R N -1.234 119.261 120.500 -0.008 0.000 2.165 446 R HA -0.428 nan 4.340 nan 0.000 0.254 446 R C 2.567 178.755 176.300 -0.186 0.000 1.153 446 R CA 3.380 59.402 56.100 -0.129 0.000 0.971 446 R CB -0.407 29.743 30.300 -0.250 0.000 0.878 446 R HN 0.135 8.412 8.270 0.012 0.000 0.449 447 H N -2.999 116.102 119.070 0.051 0.000 2.357 447 H HA -0.159 nan 4.556 nan 0.000 0.301 447 H C 2.627 177.986 175.328 0.052 0.000 1.082 447 H CA 3.779 59.858 56.048 0.052 0.000 1.342 447 H CB -0.399 29.401 29.762 0.064 0.000 1.389 447 H HN -0.160 8.100 8.280 -0.020 0.008 0.511 448 D N -0.682 119.802 120.400 0.140 0.000 2.219 448 D HA -0.170 nan 4.640 nan 0.000 0.205 448 D C 2.899 179.234 176.300 0.059 0.000 0.970 448 D CA 3.249 57.293 54.000 0.073 0.000 0.851 448 D CB -0.494 40.324 40.800 0.031 0.000 0.943 448 D HN 0.031 8.394 8.370 0.147 0.095 0.488 449 E N -0.384 119.853 120.200 0.062 0.000 2.150 449 E HA -0.200 nan 4.350 nan 0.000 0.193 449 E C 1.286 177.998 176.600 0.185 0.000 0.985 449 E CA 2.720 59.176 56.400 0.093 0.000 0.814 449 E CB 0.348 30.098 29.700 0.083 0.000 0.752 449 E HN -0.074 8.218 8.360 0.050 0.098 0.466 450 V N -9.339 110.673 119.914 0.163 0.000 3.444 450 V HA 0.413 nan 4.120 nan 0.000 0.308 450 V C -0.013 176.238 176.094 0.262 0.000 1.371 450 V CA -2.063 60.406 62.300 0.282 0.000 1.141 450 V CB -1.034 30.832 31.823 0.071 0.000 1.037 450 V HN -0.834 7.281 8.190 0.094 0.131 0.433 451 G N 0.758 109.656 108.800 0.164 0.000 2.366 451 G HA2 -0.409 nan 3.960 nan 0.000 0.299 451 G HA3 -0.409 nan 3.960 nan 0.000 0.299 451 G C -0.639 174.306 174.900 0.075 0.000 1.020 451 G CA 1.049 46.206 45.100 0.095 0.000 1.026 451 G HN -0.168 7.972 8.290 0.139 0.233 0.512 452 T N -1.743 112.874 114.554 0.105 0.000 2.780 452 T HA 0.399 nan 4.350 nan 0.000 0.294 452 T C -0.834 173.839 174.700 -0.046 0.000 0.949 452 T CA -3.495 58.644 62.100 0.066 0.000 1.074 452 T CB 1.100 70.053 68.868 0.142 0.000 0.910 452 T HN -0.655 7.678 8.240 0.155 0.000 0.501 453 P HA -0.139 nan 4.420 nan 0.000 0.216 453 P C -1.211 175.683 177.300 -0.677 0.000 1.150 453 P CA 1.979 64.813 63.100 -0.444 0.000 0.843 453 P CB 0.563 31.988 31.700 -0.458 0.000 0.787 454 F N -3.759 116.169 119.950 -0.038 0.000 2.574 454 F HA 0.300 nan 4.527 nan 0.000 0.313 454 F C -2.591 173.199 175.800 -0.017 0.000 1.130 454 F CA -1.152 56.840 58.000 -0.013 0.000 0.936 454 F CB 3.673 42.654 39.000 -0.032 0.000 1.219 454 F HN -0.358 7.990 8.300 0.079 0.000 0.445 455 A N 4.033 126.982 122.820 0.214 0.000 2.316 455 A HA 0.647 nan 4.320 nan 0.000 0.324 455 A C -1.943 175.742 177.584 0.167 0.000 1.375 455 A CA -1.430 50.678 52.037 0.119 0.000 0.882 455 A CB 0.491 19.591 19.000 0.167 0.000 1.152 455 A HN 0.525 8.835 8.150 0.266 0.000 0.512 456 V N 5.271 125.253 119.914 0.114 0.000 2.432 456 V HA 0.421 nan 4.120 nan 0.000 0.271 456 V C -1.060 175.078 176.094 0.074 0.000 1.046 456 V CA -0.395 61.972 62.300 0.112 0.000 0.945 456 V CB 0.236 32.115 31.823 0.092 0.000 0.992 456 V HN -0.076 8.158 8.190 0.074 0.000 0.471 457 T N 8.724 123.327 114.554 0.082 0.000 2.829 457 T HA 0.667 nan 4.350 nan 0.000 0.280 457 T C -1.762 172.968 174.700 0.049 0.000 0.999 457 T CA -1.623 60.501 62.100 0.041 0.000 0.983 457 T CB 2.273 71.146 68.868 0.009 0.000 0.968 457 T HN 0.744 9.051 8.240 0.111 0.000 0.446 458 V N 8.056 127.995 119.914 0.041 0.000 2.417 458 V HA 0.728 nan 4.120 nan 0.000 0.291 458 V C -1.472 174.609 176.094 -0.021 0.000 1.024 458 V CA -1.944 60.373 62.300 0.029 0.000 0.861 458 V CB 1.202 33.082 31.823 0.095 0.000 0.985 458 V HN 0.749 8.851 8.190 0.034 0.108 0.436 459 D N 6.229 126.608 120.400 -0.036 0.000 2.650 459 D HA 0.310 nan 4.640 nan 0.000 0.255 459 D C 0.339 176.589 176.300 -0.082 0.000 1.135 459 D CA -1.843 52.133 54.000 -0.039 0.000 1.099 459 D CB 1.497 42.332 40.800 0.058 0.000 1.273 459 D HN -0.265 8.087 8.370 -0.030 0.000 0.628 460 Y N -1.245 119.035 120.300 -0.033 0.000 2.070 460 Y HA -0.492 nan 4.550 nan 0.000 0.280 460 Y C 2.097 177.952 175.900 -0.076 0.000 1.148 460 Y CA 4.219 62.290 58.100 -0.047 0.000 1.125 460 Y CB -0.279 38.165 38.460 -0.027 0.000 0.975 460 Y HN 0.122 8.531 8.280 0.214 0.000 0.492 461 D N -2.823 117.653 120.400 0.127 0.000 2.170 461 D HA -0.320 nan 4.640 nan 0.000 0.193 461 D C 1.401 177.672 176.300 -0.048 0.000 1.004 461 D CA 3.588 57.608 54.000 0.033 0.000 0.860 461 D CB -0.427 40.391 40.800 0.030 0.000 0.931 461 D HN 0.166 8.646 8.370 0.182 0.000 0.448 462 T N -0.384 114.106 114.554 -0.105 0.000 2.635 462 T HA -0.263 nan 4.350 nan 0.000 0.267 462 T C 2.154 176.623 174.700 -0.384 0.000 1.040 462 T CA 3.180 65.134 62.100 -0.242 0.000 1.156 462 T CB -0.186 68.503 68.868 -0.299 0.000 0.863 462 T HN -0.316 8.137 8.240 -0.070 -0.255 0.430 463 I N -2.504 117.836 120.570 -0.383 0.000 2.361 463 I HA -0.422 nan 4.170 nan 0.000 0.251 463 I C 0.840 176.864 176.117 -0.155 0.000 1.133 463 I CA 2.477 63.565 61.300 -0.353 0.000 1.413 463 I CB -0.123 37.743 38.000 -0.224 0.000 1.073 463 I HN -0.281 7.759 8.210 -0.284 0.000 0.424 464 G N -3.070 105.682 108.800 -0.080 0.000 4.077 464 G HA2 -0.217 nan 3.960 nan 0.000 0.199 464 G HA3 -0.217 nan 3.960 nan 0.000 0.199 464 G C -0.938 173.968 174.900 0.010 0.000 1.302 464 G CA -0.272 44.812 45.100 -0.027 0.000 0.918 464 G HN -0.432 7.696 8.290 -0.073 0.118 0.369 465 Q N 1.255 121.083 119.800 0.047 0.000 2.624 465 Q HA -0.007 nan 4.340 nan 0.000 0.256 465 Q C -1.768 174.259 176.000 0.045 0.000 1.119 465 Q CA 1.301 57.141 55.803 0.061 0.000 0.995 465 Q CB 0.727 29.549 28.738 0.141 0.000 1.318 465 Q HN 0.044 8.345 8.270 0.053 0.000 0.534 466 S N -2.836 112.852 115.700 -0.021 0.000 2.701 466 S HA 0.135 nan 4.470 nan 0.000 0.267 466 S C -1.206 173.344 174.600 -0.084 0.000 1.034 466 S CA -0.888 57.283 58.200 -0.048 0.000 0.867 466 S CB 1.341 64.535 63.200 -0.011 0.000 1.123 466 S HN -0.271 8.013 8.310 -0.042 0.000 0.470 467 K N 0.592 120.944 120.400 -0.081 0.000 2.099 467 K HA -0.065 nan 4.320 nan 0.000 0.203 467 K C 0.585 177.158 176.600 -0.045 0.000 1.047 467 K CA 1.814 58.056 56.287 -0.075 0.000 0.963 467 K CB 0.008 32.466 32.500 -0.070 0.000 0.759 467 K HN 0.590 8.799 8.250 -0.067 0.000 0.451 468 D N -1.849 118.531 120.400 -0.032 0.000 2.384 468 D HA -0.149 nan 4.640 nan 0.000 0.222 468 D C 0.962 177.252 176.300 -0.018 0.000 0.976 468 D CA -0.083 53.905 54.000 -0.021 0.000 0.915 468 D CB -1.264 39.527 40.800 -0.013 0.000 0.896 468 D HN -0.219 8.132 8.370 -0.032 0.000 0.523 469 G N -1.254 107.534 108.800 -0.021 0.000 2.160 469 G HA2 -0.428 nan 3.960 nan 0.000 0.251 469 G HA3 -0.428 nan 3.960 nan 0.000 0.251 469 G C -0.811 174.084 174.900 -0.009 0.000 1.008 469 G CA 0.288 45.379 45.100 -0.016 0.000 0.724 469 G HN -0.187 8.001 8.290 -0.028 0.086 0.514 470 T N -3.283 111.266 114.554 -0.008 0.000 2.799 470 T HA 0.256 nan 4.350 nan 0.000 0.286 470 T C 0.302 175.002 174.700 -0.000 0.000 0.973 470 T CA -1.381 60.718 62.100 -0.003 0.000 1.035 470 T CB 1.355 70.222 68.868 -0.002 0.000 0.932 470 T HN -0.447 7.756 8.240 -0.011 0.031 0.469 471 T N -1.628 112.927 114.554 0.001 0.000 3.132 471 T HA 0.199 nan 4.350 nan 0.000 0.274 471 T C 0.571 175.275 174.700 0.007 0.000 1.011 471 T CA 0.673 62.775 62.100 0.002 0.000 0.899 471 T CB -0.189 68.681 68.868 0.003 0.000 1.089 471 T HN 0.534 8.775 8.240 0.002 0.000 0.543 472 R N 1.347 121.852 120.500 0.008 0.000 2.153 472 R HA -0.088 nan 4.340 nan 0.000 0.218 472 R C 0.251 176.564 176.300 0.022 0.000 1.072 472 R CA 1.559 57.668 56.100 0.015 0.000 0.990 472 R CB -1.076 29.230 30.300 0.010 0.000 0.889 472 R HN 0.020 8.230 8.270 0.006 0.064 0.452 473 L N -2.381 118.849 121.223 0.012 0.000 2.456 473 L HA -0.103 nan 4.340 nan 0.000 0.224 473 L C -0.815 176.053 176.870 -0.004 0.000 1.148 473 L CA 0.080 54.926 54.840 0.010 0.000 0.825 473 L CB -0.416 41.647 42.059 0.007 0.000 0.937 473 L HN 0.144 8.364 8.230 0.008 0.015 0.450 474 K N -2.844 117.550 120.400 -0.010 0.000 2.448 474 K HA -0.324 nan 4.320 nan 0.000 0.278 474 K C -0.103 176.480 176.600 -0.028 0.000 1.009 474 K CA 0.795 57.053 56.287 -0.049 0.000 0.995 474 K CB -0.164 32.310 32.500 -0.043 0.000 0.917 474 K HN -0.947 7.117 8.250 0.001 0.186 0.481 475 D N 0.430 120.741 120.400 -0.148 0.000 3.099 475 D HA -0.389 nan 4.640 nan 0.000 0.213 475 D C -1.441 174.603 176.300 -0.427 0.000 1.121 475 D CA 1.924 55.783 54.000 -0.234 0.000 0.951 475 D CB -0.422 40.330 40.800 -0.081 0.000 1.102 475 D HN 0.605 8.695 8.370 -0.239 0.137 0.423 476 T N -5.433 109.018 114.554 -0.172 0.000 2.824 476 T HA 0.688 nan 4.350 nan 0.000 0.282 476 T C -1.084 173.578 174.700 -0.063 0.000 0.993 476 T CA -1.616 60.427 62.100 -0.095 0.000 0.967 476 T CB 2.335 71.221 68.868 0.029 0.000 0.960 476 T HN -0.667 7.446 8.240 -0.119 0.056 0.441 477 V N -1.888 118.003 119.914 -0.038 0.000 3.046 477 V HA 0.829 nan 4.120 nan 0.000 0.316 477 V C -0.700 175.408 176.094 0.023 0.000 1.104 477 V CA -3.515 58.787 62.300 0.003 0.000 1.006 477 V CB 2.869 34.712 31.823 0.034 0.000 1.058 477 V HN 0.876 8.950 8.190 -0.046 0.089 0.440 478 T N 1.031 115.617 114.554 0.053 0.000 2.771 478 T HA 0.338 nan 4.350 nan 0.000 0.291 478 T C -1.526 173.247 174.700 0.120 0.000 0.954 478 T CA -0.999 61.148 62.100 0.077 0.000 1.045 478 T CB -0.188 68.740 68.868 0.099 0.000 0.917 478 T HN -0.062 8.212 8.240 0.056 0.000 0.484 479 V N 6.475 126.467 119.914 0.130 0.000 2.275 479 V HA 0.497 nan 4.120 nan 0.000 0.272 479 V C -2.097 174.154 176.094 0.261 0.000 1.028 479 V CA -2.354 60.076 62.300 0.218 0.000 0.810 479 V CB 1.081 33.063 31.823 0.264 0.000 1.043 479 V HN 0.676 8.813 8.190 0.086 0.105 0.453 480 R N 9.320 129.975 120.500 0.258 0.000 2.267 480 R HA 0.236 nan 4.340 nan 0.000 0.319 480 R C -1.608 174.814 176.300 0.202 0.000 1.067 480 R CA -0.377 55.837 56.100 0.190 0.000 0.936 480 R CB 1.413 31.791 30.300 0.131 0.000 1.006 480 R HN 0.193 8.632 8.270 0.282 0.000 0.452 481 D N 7.303 127.798 120.400 0.158 0.000 2.277 481 D HA 0.178 nan 4.640 nan 0.000 0.249 481 D C -0.266 175.993 176.300 -0.067 0.000 1.134 481 D CA -1.393 52.638 54.000 0.051 0.000 0.863 481 D CB 2.088 42.962 40.800 0.123 0.000 1.143 481 D HN 0.069 8.523 8.370 0.140 0.000 0.458 482 R N 6.072 126.472 120.500 -0.167 0.000 2.223 482 R HA -0.551 nan 4.340 nan 0.000 0.229 482 R C 1.970 178.207 176.300 -0.105 0.000 1.105 482 R CA 4.028 60.048 56.100 -0.132 0.000 0.880 482 R CB -0.056 30.129 30.300 -0.191 0.000 0.853 482 R HN -0.228 7.864 8.270 -0.297 0.000 0.429 483 D N -3.025 117.300 120.400 -0.125 0.000 2.106 483 D HA -0.212 nan 4.640 nan 0.000 0.191 483 D C 1.286 177.548 176.300 -0.064 0.000 0.997 483 D CA 2.804 56.749 54.000 -0.091 0.000 0.834 483 D CB -0.407 40.336 40.800 -0.094 0.000 0.956 483 D HN 0.130 8.460 8.370 -0.174 -0.064 0.448 484 T N -7.216 107.308 114.554 -0.049 0.000 3.100 484 T HA -0.015 nan 4.350 nan 0.000 0.253 484 T C 1.236 175.918 174.700 -0.030 0.000 1.118 484 T CA -0.096 61.988 62.100 -0.026 0.000 1.058 484 T CB 0.383 69.251 68.868 0.002 0.000 0.953 484 T HN -0.703 7.659 8.240 -0.055 -0.155 0.515 485 M N -3.380 116.194 119.600 -0.043 0.000 2.835 485 M HA -0.480 nan 4.480 nan 0.000 0.177 485 M C -0.792 175.480 176.300 -0.047 0.000 0.640 485 M CA 1.648 56.910 55.300 -0.063 0.000 0.635 485 M CB -2.053 30.501 32.600 -0.077 0.000 2.307 485 M HN 0.008 8.110 8.290 -0.051 0.157 0.400 486 E N 1.139 121.336 120.200 -0.005 0.000 2.392 486 E HA -0.139 nan 4.350 nan 0.000 0.264 486 E C -1.267 175.356 176.600 0.038 0.000 1.024 486 E CA 0.105 56.515 56.400 0.017 0.000 0.903 486 E CB 1.554 31.281 29.700 0.045 0.000 0.963 486 E HN -0.884 7.389 8.360 0.004 0.089 0.432 487 Q N 4.378 124.195 119.800 0.027 0.000 2.456 487 Q HA 0.327 nan 4.340 nan 0.000 0.252 487 Q C -0.590 175.434 176.000 0.040 0.000 1.042 487 Q CA -1.540 54.290 55.803 0.046 0.000 0.766 487 Q CB 0.728 29.482 28.738 0.026 0.000 1.196 487 Q HN 0.360 8.638 8.270 0.013 0.000 0.504 488 I N 3.841 124.437 120.570 0.044 0.000 2.886 488 I HA 0.160 nan 4.170 nan 0.000 0.299 488 I C -0.964 175.146 176.117 -0.011 0.000 1.044 488 I CA -0.525 60.767 61.300 -0.013 0.000 1.310 488 I CB 1.282 39.226 38.000 -0.094 0.000 1.441 488 I HN -0.181 8.079 8.210 0.084 0.000 0.578 489 R N 3.718 124.199 120.500 -0.032 0.000 2.407 489 R HA 0.594 nan 4.340 nan 0.000 0.298 489 R C -1.454 174.821 176.300 -0.041 0.000 1.166 489 R CA -0.552 55.539 56.100 -0.016 0.000 1.006 489 R CB 0.156 30.458 30.300 0.003 0.000 1.145 489 R HN 0.204 8.447 8.270 -0.045 0.000 0.538 490 L N 1.314 122.500 121.223 -0.062 0.000 2.342 490 L HA 0.523 nan 4.340 nan 0.000 0.271 490 L C -1.452 175.416 176.870 -0.003 0.000 1.008 490 L CA -2.183 52.620 54.840 -0.063 0.000 0.818 490 L CB 2.463 44.413 42.059 -0.180 0.000 1.296 490 L HN 0.570 8.767 8.230 -0.056 0.000 0.427 491 H N 2.012 121.057 119.070 -0.041 0.000 2.848 491 H HA -0.090 nan 4.556 nan 0.000 0.341 491 H C 1.476 176.807 175.328 0.005 0.000 1.060 491 H CA 1.789 57.831 56.048 -0.010 0.000 1.444 491 H CB 1.606 31.362 29.762 -0.010 0.000 1.446 491 H HN -0.135 8.440 8.280 0.120 -0.223 0.583 492 V N 7.596 127.256 119.914 -0.423 0.000 2.251 492 V HA -0.654 nan 4.120 nan 0.000 0.259 492 V C 1.722 177.854 176.094 0.064 0.000 1.078 492 V CA 4.690 66.886 62.300 -0.172 0.000 1.072 492 V CB -0.465 31.207 31.823 -0.252 0.000 0.681 492 V HN 0.858 8.478 8.190 -0.760 0.115 0.454 493 D N -2.585 117.988 120.400 0.288 0.000 2.190 493 D HA -0.305 nan 4.640 nan 0.000 0.200 493 D C 2.562 178.939 176.300 0.129 0.000 0.992 493 D CA 3.095 57.219 54.000 0.207 0.000 0.854 493 D CB -0.512 40.413 40.800 0.208 0.000 0.936 493 D HN -0.288 8.427 8.370 0.576 0.000 0.462 494 E N -0.685 119.595 120.200 0.134 0.000 2.158 494 E HA -0.169 nan 4.350 nan 0.000 0.191 494 E C 2.208 178.846 176.600 0.062 0.000 0.982 494 E CA 2.083 58.519 56.400 0.061 0.000 0.823 494 E CB -0.102 29.607 29.700 0.015 0.000 0.766 494 E HN 0.225 8.573 8.360 0.211 0.138 0.468 495 L N -1.366 119.896 121.223 0.065 0.000 2.187 495 L HA -0.393 nan 4.340 nan 0.000 0.213 495 L C 1.341 178.273 176.870 0.103 0.000 1.100 495 L CA 3.553 58.456 54.840 0.104 0.000 0.765 495 L CB -0.030 42.067 42.059 0.064 0.000 0.904 495 L HN -0.272 7.861 8.230 0.062 0.134 0.437 496 E N -1.669 118.572 120.200 0.069 0.000 2.006 496 E HA -0.376 nan 4.350 nan 0.000 0.192 496 E C 2.268 178.896 176.600 0.048 0.000 0.993 496 E CA 3.197 59.623 56.400 0.043 0.000 0.808 496 E CB -0.489 29.233 29.700 0.038 0.000 0.764 496 E HN -0.721 7.648 8.360 0.069 0.032 0.449 497 G N -0.753 108.087 108.800 0.065 0.000 2.469 497 G HA2 -0.343 nan 3.960 nan 0.000 0.219 497 G HA3 -0.343 nan 3.960 nan 0.000 0.219 497 G C 1.274 176.235 174.900 0.102 0.000 1.150 497 G CA 1.981 47.122 45.100 0.068 0.000 0.763 497 G HN -0.556 7.773 8.290 0.065 0.000 0.561 498 F N 3.110 123.013 119.950 -0.078 0.000 2.025 498 F HA -0.358 nan 4.527 nan 0.000 0.297 498 F C 1.453 177.139 175.800 -0.191 0.000 1.132 498 F CA 1.956 59.879 58.000 -0.130 0.000 1.191 498 F CB 0.048 38.950 39.000 -0.164 0.000 0.963 498 F HN -0.125 8.302 8.300 0.228 0.010 0.481 499 L N -3.249 117.794 121.223 -0.299 0.000 2.079 499 L HA -0.543 nan 4.340 nan 0.000 0.210 499 L C 2.318 179.059 176.870 -0.215 0.000 1.081 499 L CA 2.991 57.566 54.840 -0.440 0.000 0.752 499 L CB -0.714 41.171 42.059 -0.290 0.000 0.896 499 L HN -0.548 7.642 8.230 -0.068 0.000 0.433 500 R N -2.823 117.619 120.500 -0.096 0.000 2.139 500 R HA -0.432 nan 4.340 nan 0.000 0.243 500 R C 2.455 178.730 176.300 -0.041 0.000 1.145 500 R CA 3.549 59.624 56.100 -0.041 0.000 0.976 500 R CB -0.597 29.702 30.300 -0.002 0.000 0.866 500 R HN 0.122 8.279 8.270 -0.063 0.075 0.449 501 E N -2.504 117.661 120.200 -0.058 0.000 2.112 501 E HA -0.169 nan 4.350 nan 0.000 0.190 501 E C 1.632 178.196 176.600 -0.060 0.000 0.979 501 E CA 1.987 58.366 56.400 -0.035 0.000 0.814 501 E CB -0.188 29.513 29.700 0.001 0.000 0.762 501 E HN -0.407 7.779 8.360 -0.071 0.132 0.460 502 R N -1.806 118.616 120.500 -0.130 0.000 2.048 502 R HA -0.036 nan 4.340 nan 0.000 0.224 502 R C 1.930 178.187 176.300 -0.071 0.000 1.163 502 R CA 1.537 57.590 56.100 -0.078 0.000 0.956 502 R CB 0.211 30.496 30.300 -0.024 0.000 0.849 502 R HN -0.748 7.292 8.270 -0.224 0.095 0.435 503 L N -2.978 118.201 121.223 -0.074 0.000 2.549 503 L HA -0.214 nan 4.340 nan 0.000 0.230 503 L C 0.135 176.932 176.870 -0.122 0.000 1.162 503 L CA 0.673 55.456 54.840 -0.096 0.000 0.834 503 L CB -0.478 41.553 42.059 -0.046 0.000 0.947 503 L HN -0.536 7.630 8.230 -0.106 0.000 0.452 504 R N -1.189 119.273 120.500 -0.063 0.000 2.308 504 R HA -0.084 nan 4.340 nan 0.000 0.305 504 R C -0.672 175.646 176.300 0.031 0.000 1.053 504 R CA -0.835 55.275 56.100 0.015 0.000 0.957 504 R CB 0.899 31.227 30.300 0.046 0.000 1.022 504 R HN -0.880 7.286 8.270 -0.058 0.069 0.461 505 W N 0.000 121.319 121.300 0.031 0.000 2.388 505 W HA 0.000 nan 4.660 nan 0.000 0.303 505 W CA 0.000 57.363 57.345 0.031 0.000 1.226 505 W CB 0.000 29.485 29.460 0.041 0.000 1.126 505 W HN 0.000 8.381 8.180 0.335 0.000 0.535