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 2fpg_1_B DATA FIRST_RESID 1 DATA SEQUENCE MNLQEYQSKK LMSDNGVKVQ RFFVADTANE ALEAAKRLNA KEIVLKAQIL DATA SEQUENCE AGGRGKGVFS SGLKGGVHLT KDPEVVGQLA KQMIGYNLAT KQTPKEGVKV DATA SEQUENCE NKVMVAEALD ISRETYLAIL MDRSCNGPVL VGSPQGGVDI EEVAASNPEL DATA SEQUENCE IFKEQIDIIE GIKDSQAQRM AENLGFLGPL QNQAADQIKK LYNLFLKIDA DATA SEQUENCE TQVEVNPFGE TPEGQVVCFD AKINFDDNAE FRQKDIFAMD DKSENEPIEN DATA SEQUENCE EAAKYDLKYI GLDGNIACFV NGAGLAMATC DIIFLNGGKP ANFLDLGGGV DATA SEQUENCE KESQVYQAFK LLTADPKVEA ILVNIFGGIV NCAIIANGIT KACRELELKV DATA SEQUENCE PLVVRLEGTN VHEAQNILTN SGLPITSAVD LEDAAKKAVA SVT 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.392 176.300 0.153 0.000 1.140 1 M CA 0.000 55.384 55.300 0.140 0.000 0.988 1 M CB 0.000 32.644 32.600 0.073 0.000 1.302 2 N N 3.139 121.888 118.700 0.081 0.000 2.249 2 N HA 0.674 5.414 4.740 -0.000 0.000 0.296 2 N C -1.529 173.994 175.510 0.022 0.000 1.051 2 N CA -0.468 52.641 53.050 0.098 0.000 0.815 2 N CB 2.682 41.193 38.487 0.041 0.000 1.487 2 N HN 0.575 nan 8.380 nan 0.000 0.475 3 L N 1.286 122.538 121.223 0.048 0.000 2.365 3 L HA 0.378 4.718 4.340 -0.000 0.000 0.267 3 L C 0.765 177.582 176.870 -0.088 0.000 1.033 3 L CA -0.880 53.914 54.840 -0.078 0.000 0.802 3 L CB 0.984 42.967 42.059 -0.127 0.000 1.267 3 L HN 0.282 nan 8.230 nan 0.000 0.457 4 Q N 0.584 120.277 119.800 -0.178 0.000 2.535 4 Q HA -0.041 4.299 4.340 -0.000 0.000 0.228 4 Q C 0.783 176.671 176.000 -0.187 0.000 1.062 4 Q CA 0.221 55.940 55.803 -0.140 0.000 0.967 4 Q CB 0.656 29.344 28.738 -0.084 0.000 1.273 4 Q HN 0.618 nan 8.270 nan 0.000 0.554 5 E N 0.710 120.869 120.200 -0.069 0.000 2.058 5 E HA -0.248 4.102 4.350 -0.000 0.000 0.194 5 E C 1.672 178.163 176.600 -0.180 0.000 0.997 5 E CA 1.664 58.006 56.400 -0.096 0.000 0.801 5 E CB -0.223 29.443 29.700 -0.057 0.000 0.746 5 E HN 0.665 nan 8.360 nan 0.000 0.450 6 Y N 0.348 120.508 120.300 -0.232 0.000 2.403 6 Y HA -0.093 4.457 4.550 -0.000 0.000 0.291 6 Y C 1.898 177.805 175.900 0.012 0.000 1.143 6 Y CA 1.167 59.072 58.100 -0.325 0.000 1.257 6 Y CB -0.600 37.792 38.460 -0.115 0.000 0.984 6 Y HN 0.053 nan 8.280 nan 0.000 0.550 7 Q N 0.548 119.953 119.800 -0.657 0.000 2.062 7 Q HA -0.083 4.257 4.340 -0.000 0.000 0.196 7 Q C 2.439 178.352 176.000 -0.145 0.000 0.967 7 Q CA 1.418 56.966 55.803 -0.425 0.000 0.832 7 Q CB -0.165 28.244 28.738 -0.548 0.000 0.899 7 Q HN 0.521 nan 8.270 nan 0.000 0.442 8 S N 1.137 116.762 115.700 -0.125 0.000 2.359 8 S HA -0.135 4.335 4.470 -0.000 0.000 0.224 8 S C 1.792 176.389 174.600 -0.005 0.000 1.035 8 S CA 1.050 59.234 58.200 -0.026 0.000 1.018 8 S CB -0.105 63.070 63.200 -0.042 0.000 0.876 8 S HN 0.213 nan 8.310 nan 0.000 0.448 9 K N 1.564 121.950 120.400 -0.022 0.000 2.063 9 K HA -0.076 4.244 4.320 -0.000 0.000 0.208 9 K C 2.123 178.825 176.600 0.171 0.000 1.048 9 K CA 1.177 57.496 56.287 0.052 0.000 0.928 9 K CB -0.474 32.000 32.500 -0.044 0.000 0.713 9 K HN 0.373 nan 8.250 nan 0.000 0.442 10 K N 0.759 121.297 120.400 0.229 0.000 2.026 10 K HA -0.145 4.175 4.320 -0.000 0.000 0.208 10 K C 2.184 178.828 176.600 0.075 0.000 1.048 10 K CA 0.838 57.227 56.287 0.170 0.000 0.929 10 K CB -0.150 32.446 32.500 0.161 0.000 0.713 10 K HN -0.063 nan 8.250 nan 0.000 0.439 11 L N 1.628 122.883 121.223 0.053 0.000 1.989 11 L HA -0.180 4.160 4.340 -0.000 0.000 0.211 11 L C 2.282 179.172 176.870 0.034 0.000 1.071 11 L CA 1.821 56.682 54.840 0.035 0.000 0.749 11 L CB -0.528 41.559 42.059 0.047 0.000 0.890 11 L HN 0.284 nan 8.230 nan 0.000 0.431 12 M N -1.717 117.904 119.600 0.034 0.000 2.149 12 M HA -0.233 4.247 4.480 -0.000 0.000 0.261 12 M C 2.468 178.781 176.300 0.021 0.000 1.064 12 M CA 1.985 57.297 55.300 0.020 0.000 1.102 12 M CB -0.571 32.035 32.600 0.010 0.000 1.369 12 M HN 0.406 nan 8.290 nan 0.000 0.408 13 S N 0.437 116.157 115.700 0.034 0.000 2.345 13 S HA -0.170 4.300 4.470 -0.000 0.000 0.220 13 S C 1.424 176.029 174.600 0.008 0.000 1.031 13 S CA 1.600 59.813 58.200 0.021 0.000 0.996 13 S CB -0.360 62.858 63.200 0.030 0.000 0.882 13 S HN 0.397 nan 8.310 nan 0.000 0.445 14 D N 1.647 122.053 120.400 0.011 0.000 2.357 14 D HA -0.032 4.607 4.640 -0.000 0.000 0.216 14 D C 0.678 176.981 176.300 0.004 0.000 0.973 14 D CA 0.705 54.707 54.000 0.003 0.000 0.912 14 D CB -0.359 40.444 40.800 0.005 0.000 0.900 14 D HN 0.452 nan 8.370 nan 0.000 0.501 15 N N -0.465 118.240 118.700 0.008 0.000 2.338 15 N HA 0.199 4.938 4.740 -0.000 0.000 0.251 15 N C 0.692 176.207 175.510 0.009 0.000 1.199 15 N CA 0.229 53.284 53.050 0.009 0.000 0.879 15 N CB 1.405 39.899 38.487 0.012 0.000 1.159 15 N HN 0.073 nan 8.380 nan 0.000 0.514 16 G N 0.475 109.278 108.800 0.004 0.000 2.182 16 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.248 16 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.248 16 G C -0.287 174.615 174.900 0.003 0.000 1.042 16 G CA -0.005 45.096 45.100 0.002 0.000 0.775 16 G HN 0.175 nan 8.290 nan 0.000 0.501 17 V N 0.075 119.991 119.914 0.004 0.000 2.459 17 V HA 0.395 4.515 4.120 -0.000 0.000 0.295 17 V C 0.619 176.712 176.094 -0.002 0.000 1.029 17 V CA -1.079 61.225 62.300 0.007 0.000 0.874 17 V CB 1.825 33.652 31.823 0.007 0.000 0.985 17 V HN 0.342 nan 8.190 nan 0.000 0.438 18 K N 4.158 124.553 120.400 -0.009 0.000 2.294 18 K HA 0.329 4.648 4.320 -0.000 0.000 0.288 18 K C -0.098 176.456 176.600 -0.076 0.000 1.072 18 K CA -0.045 56.214 56.287 -0.046 0.000 0.960 18 K CB 0.425 32.884 32.500 -0.069 0.000 1.043 18 K HN 0.624 nan 8.250 nan 0.000 0.455 19 V N -0.052 119.826 119.914 -0.060 0.000 3.284 19 V HA 0.366 4.486 4.120 -0.000 0.000 0.309 19 V C -0.322 175.725 176.094 -0.078 0.000 1.190 19 V CA -1.211 61.049 62.300 -0.066 0.000 1.038 19 V CB 1.439 33.278 31.823 0.026 0.000 1.198 19 V HN 0.576 nan 8.190 nan 0.000 0.465 20 Q N 0.219 119.990 119.800 -0.048 0.000 2.230 20 Q HA 0.508 4.848 4.340 -0.000 0.000 0.248 20 Q C -0.589 175.465 176.000 0.089 0.000 0.915 20 Q CA -0.615 55.178 55.803 -0.017 0.000 0.900 20 Q CB 1.558 30.291 28.738 -0.008 0.000 1.229 20 Q HN 0.606 nan 8.270 nan 0.000 0.439 21 R N 1.707 122.216 120.500 0.014 0.000 2.585 21 R HA 0.218 4.558 4.340 -0.000 0.000 0.275 21 R C -0.507 175.794 176.300 0.002 0.000 1.018 21 R CA 0.489 56.541 56.100 -0.080 0.000 1.072 21 R CB 0.045 30.280 30.300 -0.108 0.000 0.953 21 R HN 0.495 nan 8.270 nan 0.000 0.419 22 F N -0.167 119.578 119.950 -0.343 0.000 2.741 22 F HA 0.660 5.187 4.527 -0.000 0.000 0.313 22 F C -1.776 173.678 175.800 -0.577 0.000 1.153 22 F CA -1.633 56.197 58.000 -0.283 0.000 0.931 22 F CB 1.185 40.133 39.000 -0.087 0.000 1.335 22 F HN 0.210 nan 8.300 nan 0.000 0.460 23 F N 1.104 121.207 119.950 0.255 0.000 2.588 23 F HA 0.721 5.247 4.527 -0.000 0.000 0.310 23 F C -0.652 175.279 175.800 0.218 0.000 1.082 23 F CA -1.210 56.856 58.000 0.110 0.000 0.929 23 F CB 2.325 41.340 39.000 0.025 0.000 1.254 23 F HN 0.474 nan 8.300 nan 0.000 0.455 24 V N 1.694 121.779 119.914 0.284 0.000 2.612 24 V HA 0.944 5.064 4.120 -0.000 0.000 0.301 24 V C -0.298 175.798 176.094 0.005 0.000 1.046 24 V CA -0.784 61.535 62.300 0.032 0.000 0.946 24 V CB 1.368 33.014 31.823 -0.295 0.000 1.003 24 V HN 0.960 nan 8.190 nan 0.000 0.459 25 A N 2.260 125.053 122.820 -0.044 0.000 2.589 25 A HA 0.725 5.045 4.320 -0.000 0.000 0.296 25 A C -0.781 176.783 177.584 -0.034 0.000 1.062 25 A CA -0.420 51.602 52.037 -0.025 0.000 0.686 25 A CB 1.673 20.676 19.000 0.005 0.000 1.282 25 A HN 0.959 nan 8.150 nan 0.000 0.404 26 D N -0.074 120.311 120.400 -0.024 0.000 2.538 26 D HA 0.358 4.998 4.640 -0.000 0.000 0.231 26 D C 0.231 176.528 176.300 -0.005 0.000 1.229 26 D CA 0.500 54.493 54.000 -0.012 0.000 0.828 26 D CB 0.459 41.253 40.800 -0.010 0.000 1.035 26 D HN 0.621 nan 8.370 nan 0.000 0.495 27 T N -5.046 109.504 114.554 -0.006 0.000 2.868 27 T HA 0.613 4.963 4.350 -0.000 0.000 0.306 27 T C 0.937 175.632 174.700 -0.008 0.000 1.224 27 T CA -0.584 61.512 62.100 -0.007 0.000 1.012 27 T CB 1.497 70.359 68.868 -0.010 0.000 1.221 27 T HN -0.112 nan 8.240 nan 0.000 0.499 28 A N 1.005 123.820 122.820 -0.009 0.000 1.972 28 A HA -0.065 4.255 4.320 -0.000 0.000 0.219 28 A C 2.136 179.710 177.584 -0.016 0.000 1.169 28 A CA 1.609 53.638 52.037 -0.013 0.000 0.635 28 A CB -0.938 18.054 19.000 -0.013 0.000 0.810 28 A HN 0.876 nan 8.150 nan 0.000 0.446 29 N N -0.379 118.311 118.700 -0.017 0.000 2.250 29 N HA -0.108 4.632 4.740 -0.000 0.000 0.181 29 N C 1.628 177.123 175.510 -0.026 0.000 1.017 29 N CA 1.234 54.272 53.050 -0.021 0.000 0.866 29 N CB -0.089 38.386 38.487 -0.020 0.000 0.985 29 N HN 0.635 nan 8.380 nan 0.000 0.429 30 E N 0.526 120.712 120.200 -0.023 0.000 2.077 30 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 30 E C 1.978 178.563 176.600 -0.025 0.000 0.989 30 E CA 1.063 57.446 56.400 -0.029 0.000 0.800 30 E CB -0.085 29.602 29.700 -0.021 0.000 0.746 30 E HN 0.381 nan 8.360 nan 0.000 0.452 31 A N 1.278 124.092 122.820 -0.011 0.000 1.883 31 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 31 A C 2.179 179.760 177.584 -0.004 0.000 1.186 31 A CA 1.340 53.380 52.037 0.004 0.000 0.624 31 A CB -0.648 18.354 19.000 0.003 0.000 0.822 31 A HN 0.256 nan 8.150 nan 0.000 0.444 32 L N -0.204 121.009 121.223 -0.017 0.000 1.976 32 L HA -0.160 4.180 4.340 -0.000 0.000 0.209 32 L C 2.202 179.050 176.870 -0.035 0.000 1.071 32 L CA 2.591 57.419 54.840 -0.021 0.000 0.746 32 L CB -0.774 41.271 42.059 -0.024 0.000 0.890 32 L HN 0.353 nan 8.230 nan 0.000 0.432 33 E N 0.307 120.476 120.200 -0.051 0.000 2.118 33 E HA -0.226 4.123 4.350 -0.000 0.000 0.195 33 E C 2.219 178.746 176.600 -0.123 0.000 0.992 33 E CA 1.427 57.779 56.400 -0.080 0.000 0.804 33 E CB -0.712 28.937 29.700 -0.085 0.000 0.741 33 E HN 0.672 nan 8.360 nan 0.000 0.458 34 A N 1.274 124.028 122.820 -0.111 0.000 1.933 34 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 34 A C 2.400 179.948 177.584 -0.059 0.000 1.175 34 A CA 1.944 53.893 52.037 -0.148 0.000 0.628 34 A CB -0.476 18.517 19.000 -0.011 0.000 0.814 34 A HN 0.268 nan 8.150 nan 0.000 0.444 35 A N -0.143 122.675 122.820 -0.004 0.000 1.969 35 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 35 A C 2.090 179.679 177.584 0.009 0.000 1.169 35 A CA 1.658 53.715 52.037 0.034 0.000 0.635 35 A CB -0.321 18.695 19.000 0.028 0.000 0.810 35 A HN 0.570 nan 8.150 nan 0.000 0.445 36 K N -0.486 119.893 120.400 -0.035 0.000 1.984 36 K HA -0.071 4.249 4.320 -0.000 0.000 0.209 36 K C 2.247 178.810 176.600 -0.061 0.000 1.046 36 K CA 1.246 57.508 56.287 -0.042 0.000 0.934 36 K CB -0.255 32.212 32.500 -0.055 0.000 0.717 36 K HN 0.316 nan 8.250 nan 0.000 0.438 37 R N 1.057 121.468 120.500 -0.150 0.000 2.117 37 R HA -0.149 4.190 4.340 -0.000 0.000 0.243 37 R C 2.402 178.673 176.300 -0.048 0.000 1.143 37 R CA 1.286 57.263 56.100 -0.205 0.000 0.968 37 R CB -0.608 29.365 30.300 -0.546 0.000 0.863 37 R HN 0.182 nan 8.270 nan 0.000 0.444 38 L N 0.186 121.443 121.223 0.056 0.000 1.955 38 L HA -0.186 4.153 4.340 -0.000 0.000 0.213 38 L C 0.580 177.522 176.870 0.119 0.000 1.072 38 L CA 1.200 56.178 54.840 0.231 0.000 0.755 38 L CB -0.600 41.603 42.059 0.242 0.000 0.888 38 L HN 0.338 nan 8.230 nan 0.000 0.432 39 N N -0.850 117.893 118.700 0.072 0.000 2.590 39 N HA -0.080 4.660 4.740 -0.000 0.000 0.273 39 N C -0.907 174.636 175.510 0.055 0.000 1.210 39 N CA 0.661 53.740 53.050 0.048 0.000 0.676 39 N CB -0.532 37.975 38.487 0.035 0.000 0.881 39 N HN 0.496 nan 8.380 nan 0.000 0.550 40 A N 1.956 124.809 122.820 0.055 0.000 2.594 40 A HA 0.590 4.910 4.320 -0.000 0.000 0.291 40 A C 0.922 178.535 177.584 0.047 0.000 1.105 40 A CA -0.106 51.963 52.037 0.053 0.000 0.694 40 A CB 1.014 20.053 19.000 0.066 0.000 1.291 40 A HN 0.424 nan 8.150 nan 0.000 0.410 41 K N -0.124 120.302 120.400 0.043 0.000 2.032 41 K HA -0.192 4.128 4.320 -0.000 0.000 0.218 41 K C 0.427 177.053 176.600 0.043 0.000 1.054 41 K CA 2.387 58.697 56.287 0.039 0.000 0.941 41 K CB -0.023 32.501 32.500 0.039 0.000 0.720 41 K HN 0.702 nan 8.250 nan 0.000 0.449 42 E N -0.540 119.693 120.200 0.054 0.000 2.340 42 E HA 0.337 4.687 4.350 -0.000 0.000 0.273 42 E C -1.471 175.172 176.600 0.073 0.000 0.891 42 E CA -0.830 55.605 56.400 0.058 0.000 0.757 42 E CB 1.282 31.016 29.700 0.057 0.000 1.231 42 E HN 0.106 nan 8.360 nan 0.000 0.439 43 I N 1.828 122.443 120.570 0.074 0.000 2.822 43 I HA 0.398 4.568 4.170 -0.000 0.000 0.312 43 I C -0.729 175.445 176.117 0.095 0.000 1.011 43 I CA -0.849 60.505 61.300 0.089 0.000 1.105 43 I CB 1.979 40.028 38.000 0.083 0.000 1.291 43 I HN 0.247 nan 8.210 nan 0.000 0.474 44 V N 4.361 124.340 119.914 0.108 0.000 2.525 44 V HA 0.401 4.521 4.120 -0.000 0.000 0.299 44 V C -0.935 175.226 176.094 0.112 0.000 1.034 44 V CA -0.632 61.733 62.300 0.109 0.000 0.863 44 V CB 1.682 33.570 31.823 0.110 0.000 0.999 44 V HN 0.422 nan 8.190 nan 0.000 0.423 45 L N 6.073 127.370 121.223 0.123 0.000 2.272 45 L HA 0.618 4.958 4.340 -0.000 0.000 0.289 45 L C -0.257 176.695 176.870 0.137 0.000 1.032 45 L CA 0.177 55.091 54.840 0.123 0.000 0.810 45 L CB 0.872 43.004 42.059 0.121 0.000 1.205 45 L HN 0.613 nan 8.230 nan 0.000 0.422 46 K N 5.277 125.747 120.400 0.116 0.000 2.613 46 K HA 0.662 4.982 4.320 -0.000 0.000 0.248 46 K C -0.683 176.001 176.600 0.140 0.000 0.959 46 K CA -0.717 55.643 56.287 0.121 0.000 0.855 46 K CB 1.708 34.252 32.500 0.074 0.000 1.143 46 K HN 0.701 nan 8.250 nan 0.000 0.437 47 A N 2.876 125.827 122.820 0.219 0.000 2.531 47 A HA 0.023 4.343 4.320 -0.000 0.000 0.236 47 A C -0.076 177.605 177.584 0.163 0.000 1.062 47 A CA 0.118 52.306 52.037 0.252 0.000 0.760 47 A CB 0.176 19.459 19.000 0.472 0.000 0.995 47 A HN 0.563 nan 8.150 nan 0.000 0.501 48 Q N 1.591 121.479 119.800 0.147 0.000 2.509 48 Q HA 0.446 4.785 4.340 -0.000 0.000 0.230 48 Q C -0.415 175.654 176.000 0.116 0.000 1.089 48 Q CA 0.199 56.084 55.803 0.137 0.000 0.901 48 Q CB 0.372 29.223 28.738 0.188 0.000 1.208 48 Q HN 0.718 nan 8.270 nan 0.000 0.529 49 I N -2.130 118.487 120.570 0.078 0.000 2.934 49 I HA 0.378 4.548 4.170 -0.000 0.000 0.306 49 I C 0.490 176.625 176.117 0.030 0.000 1.110 49 I CA -1.000 60.330 61.300 0.050 0.000 1.019 49 I CB 1.595 39.608 38.000 0.022 0.000 1.227 49 I HN 0.233 nan 8.210 nan 0.000 0.434 50 L N 2.617 123.853 121.223 0.021 0.000 2.275 50 L HA 0.124 4.464 4.340 -0.000 0.000 0.215 50 L C 1.722 178.592 176.870 -0.000 0.000 1.119 50 L CA 0.819 55.664 54.840 0.009 0.000 0.790 50 L CB -0.715 41.349 42.059 0.009 0.000 0.919 50 L HN 0.845 nan 8.230 nan 0.000 0.443 51 A N 0.098 122.915 122.820 -0.005 0.000 2.346 51 A HA 0.502 4.822 4.320 -0.000 0.000 0.255 51 A C 0.562 178.138 177.584 -0.013 0.000 1.113 51 A CA 0.438 52.466 52.037 -0.014 0.000 0.798 51 A CB -0.078 18.907 19.000 -0.025 0.000 1.073 51 A HN 0.231 nan 8.150 nan 0.000 0.502 52 G N -3.160 105.631 108.800 -0.015 0.000 2.685 52 G HA2 0.584 4.544 3.960 -0.000 0.000 0.298 52 G HA3 0.584 4.544 3.960 -0.000 0.000 0.298 52 G C 0.719 175.610 174.900 -0.015 0.000 1.277 52 G CA -0.143 44.952 45.100 -0.009 0.000 0.986 52 G HN 2.206 nan 8.290 nan 0.000 0.487 53 G N -0.666 108.128 108.800 -0.009 0.000 2.153 53 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.252 53 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.252 53 G C 1.316 176.200 174.900 -0.026 0.000 0.994 53 G CA 0.933 46.024 45.100 -0.014 0.000 0.698 53 G HN 0.800 nan 8.290 nan 0.000 0.521 54 R N 0.062 120.547 120.500 -0.025 0.000 2.103 54 R HA -0.080 4.260 4.340 -0.000 0.000 0.242 54 R C 2.818 179.104 176.300 -0.022 0.000 1.142 54 R CA 1.585 57.664 56.100 -0.035 0.000 0.960 54 R CB -0.532 29.766 30.300 -0.004 0.000 0.858 54 R HN 0.493 nan 8.270 nan 0.000 0.439 55 G N 0.537 109.327 108.800 -0.018 0.000 2.653 55 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.212 55 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.212 55 G C 0.927 175.800 174.900 -0.045 0.000 1.138 55 G CA 0.419 45.495 45.100 -0.040 0.000 0.782 55 G HN 0.294 nan 8.290 nan 0.000 0.535 56 K N -0.440 119.941 120.400 -0.031 0.000 2.520 56 K HA 0.195 4.515 4.320 -0.000 0.000 0.206 56 K C 1.370 177.955 176.600 -0.025 0.000 1.122 56 K CA -0.049 56.224 56.287 -0.025 0.000 1.045 56 K CB 1.382 33.870 32.500 -0.020 0.000 0.932 56 K HN 0.195 nan 8.250 nan 0.000 0.571 57 G N 0.843 109.618 108.800 -0.041 0.000 2.494 57 G HA2 0.378 4.338 3.960 -0.000 0.000 0.270 57 G HA3 0.378 4.338 3.960 -0.000 0.000 0.270 57 G C -0.894 173.980 174.900 -0.043 0.000 1.423 57 G CA -0.250 44.809 45.100 -0.069 0.000 1.055 57 G HN -0.002 nan 8.290 nan 0.000 0.536 58 V N -0.809 119.050 119.914 -0.091 0.000 2.752 58 V HA 0.600 4.719 4.120 -0.000 0.000 0.302 58 V C -1.296 174.753 176.094 -0.076 0.000 1.133 58 V CA -1.106 61.189 62.300 -0.008 0.000 0.919 58 V CB 1.016 32.850 31.823 0.018 0.000 1.026 58 V HN 0.479 nan 8.190 nan 0.000 0.429 59 F N 3.848 123.807 119.950 0.015 0.000 2.403 59 F HA 0.357 4.884 4.527 -0.000 0.000 0.320 59 F C 1.916 177.702 175.800 -0.023 0.000 1.176 59 F CA 0.873 58.879 58.000 0.011 0.000 1.206 59 F CB 1.669 40.657 39.000 -0.019 0.000 1.235 59 F HN 0.728 nan 8.300 nan 0.000 0.565 60 S N -0.893 114.925 115.700 0.197 0.000 2.406 60 S HA -0.158 4.312 4.470 -0.000 0.000 0.228 60 S C 1.901 176.486 174.600 -0.026 0.000 1.020 60 S CA 0.806 59.084 58.200 0.130 0.000 0.965 60 S CB -0.953 62.398 63.200 0.251 0.000 0.798 60 S HN 0.667 nan 8.310 nan 0.000 0.488 61 S N 0.874 116.340 115.700 -0.390 0.000 2.584 61 S HA 0.293 4.763 4.470 -0.000 0.000 0.240 61 S C 1.706 176.112 174.600 -0.324 0.000 0.975 61 S CA 0.883 58.580 58.200 -0.839 0.000 0.949 61 S CB -0.903 61.325 63.200 -1.620 0.000 0.761 61 S HN 1.436 nan 8.310 nan 0.000 0.536 62 G N 0.126 108.850 108.800 -0.127 0.000 2.254 62 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.225 62 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.225 62 G C -0.051 174.850 174.900 0.001 0.000 1.003 62 G CA -0.073 44.998 45.100 -0.048 0.000 0.622 62 G HN 0.715 nan 8.290 nan 0.000 0.507 63 L N 2.063 123.279 121.223 -0.012 0.000 2.525 63 L HA 0.491 4.830 4.340 -0.000 0.000 0.278 63 L C 0.114 177.131 176.870 0.244 0.000 1.218 63 L CA 0.125 54.998 54.840 0.055 0.000 0.878 63 L CB 0.381 42.373 42.059 -0.111 0.000 1.127 63 L HN 0.134 nan 8.230 nan 0.000 0.492 64 K N 4.778 125.310 120.400 0.220 0.000 2.265 64 K HA 0.717 5.037 4.320 -0.000 0.000 0.267 64 K C -0.156 176.594 176.600 0.249 0.000 0.994 64 K CA -0.028 56.382 56.287 0.206 0.000 0.860 64 K CB 1.205 33.774 32.500 0.114 0.000 1.099 64 K HN 0.940 nan 8.250 nan 0.000 0.448 65 G N 1.045 109.967 108.800 0.203 0.000 2.911 65 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.686 65 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.686 65 G C 0.439 175.480 174.900 0.235 0.000 1.136 65 G CA -0.447 44.690 45.100 0.062 0.000 0.764 65 G HN 0.623 nan 8.290 nan 0.000 0.626 66 G N -0.727 108.154 108.800 0.135 0.000 2.796 66 G HA2 0.466 4.426 3.960 -0.000 0.000 0.210 66 G HA3 0.466 4.426 3.960 -0.000 0.000 0.210 66 G C 0.489 175.489 174.900 0.166 0.000 1.146 66 G CA 0.966 46.247 45.100 0.302 0.000 0.779 66 G HN 1.404 nan 8.290 nan 0.000 0.535 67 V N 2.016 121.902 119.914 -0.046 0.000 2.409 67 V HA 0.452 4.572 4.120 -0.000 0.000 0.291 67 V C -0.975 174.989 176.094 -0.216 0.000 1.020 67 V CA -0.969 61.306 62.300 -0.041 0.000 0.848 67 V CB 1.358 33.170 31.823 -0.018 0.000 0.990 67 V HN 0.242 nan 8.190 nan 0.000 0.430 68 H N 4.956 124.061 119.070 0.059 0.000 2.589 68 H HA 0.546 5.102 4.556 -0.000 0.000 0.351 68 H C -0.934 174.417 175.328 0.038 0.000 1.074 68 H CA -0.503 55.569 56.048 0.040 0.000 1.203 68 H CB 2.455 32.231 29.762 0.022 0.000 1.558 68 H HN 0.449 nan 8.280 nan 0.000 0.522 69 L N 2.097 123.404 121.223 0.139 0.000 2.307 69 L HA 0.445 4.785 4.340 -0.000 0.000 0.282 69 L C 0.477 177.402 176.870 0.091 0.000 1.051 69 L CA -0.215 54.683 54.840 0.097 0.000 0.804 69 L CB 1.858 43.956 42.059 0.065 0.000 1.197 69 L HN 0.508 nan 8.230 nan 0.000 0.431 70 T N 1.082 115.680 114.554 0.073 0.000 3.047 70 T HA 0.240 4.590 4.350 -0.000 0.000 0.340 70 T C 0.124 174.850 174.700 0.045 0.000 1.421 70 T CA -0.618 61.513 62.100 0.052 0.000 1.090 70 T CB 1.450 70.341 68.868 0.039 0.000 1.292 70 T HN 0.657 nan 8.240 nan 0.000 0.480 71 K N 1.299 121.720 120.400 0.034 0.000 2.356 71 K HA 0.132 4.452 4.320 -0.000 0.000 0.195 71 K C -0.018 176.597 176.600 0.025 0.000 1.037 71 K CA -0.050 56.256 56.287 0.032 0.000 1.014 71 K CB 0.306 32.822 32.500 0.027 0.000 0.815 71 K HN 0.394 nan 8.250 nan 0.000 0.507 72 D N 1.129 121.540 120.400 0.018 0.000 2.359 72 D HA 0.120 4.760 4.640 -0.000 0.000 0.230 72 D C -2.088 174.217 176.300 0.008 0.000 1.118 72 D CA -2.596 51.410 54.000 0.010 0.000 0.844 72 D CB 1.741 42.543 40.800 0.004 0.000 1.059 72 D HN -0.212 nan 8.370 nan 0.000 0.493 73 P HA -0.125 nan 4.420 nan 0.000 0.218 73 P C 0.946 178.242 177.300 -0.007 0.000 1.146 73 P CA 0.835 63.937 63.100 0.004 0.000 0.813 73 P CB 0.432 32.133 31.700 0.001 0.000 0.778 74 E N -0.742 119.452 120.200 -0.010 0.000 2.150 74 E HA -0.075 4.275 4.350 -0.000 0.000 0.193 74 E C 1.994 178.579 176.600 -0.024 0.000 0.985 74 E CA 0.869 57.259 56.400 -0.017 0.000 0.814 74 E CB -0.663 29.028 29.700 -0.015 0.000 0.752 74 E HN 0.160 nan 8.360 nan 0.000 0.466 75 V N 0.819 120.719 119.914 -0.023 0.000 2.453 75 V HA -0.171 3.949 4.120 -0.000 0.000 0.247 75 V C 2.541 178.606 176.094 -0.049 0.000 1.048 75 V CA 0.883 63.161 62.300 -0.038 0.000 1.049 75 V CB -0.408 31.398 31.823 -0.028 0.000 0.672 75 V HN 0.047 nan 8.190 nan 0.000 0.457 76 V N 1.225 121.124 119.914 -0.026 0.000 2.282 76 V HA -0.270 3.850 4.120 -0.000 0.000 0.249 76 V C 2.609 178.681 176.094 -0.036 0.000 1.057 76 V CA 2.487 64.776 62.300 -0.019 0.000 1.032 76 V CB -1.318 30.509 31.823 0.008 0.000 0.645 76 V HN 0.623 nan 8.190 nan 0.000 0.447 77 G N -1.550 107.230 108.800 -0.032 0.000 2.408 77 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 77 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 77 G C 1.461 176.331 174.900 -0.050 0.000 1.150 77 G CA 0.683 45.762 45.100 -0.035 0.000 0.776 77 G HN 0.571 nan 8.290 nan 0.000 0.542 78 Q N -0.303 119.461 119.800 -0.060 0.000 2.079 78 Q HA 0.079 4.419 4.340 -0.000 0.000 0.200 78 Q C 2.565 178.495 176.000 -0.115 0.000 0.974 78 Q CA 0.794 56.553 55.803 -0.073 0.000 0.840 78 Q CB -0.209 28.488 28.738 -0.069 0.000 0.898 78 Q HN 0.410 nan 8.270 nan 0.000 0.430 79 L N 0.189 121.321 121.223 -0.152 0.000 2.072 79 L HA -0.139 4.201 4.340 -0.000 0.000 0.205 79 L C 2.515 179.254 176.870 -0.217 0.000 1.079 79 L CA 0.920 55.612 54.840 -0.247 0.000 0.752 79 L CB -0.571 41.298 42.059 -0.318 0.000 0.906 79 L HN 0.208 nan 8.230 nan 0.000 0.436 80 A N 0.083 122.824 122.820 -0.131 0.000 1.873 80 A HA -0.314 4.006 4.320 -0.000 0.000 0.218 80 A C 2.348 179.886 177.584 -0.076 0.000 1.193 80 A CA 2.203 54.185 52.037 -0.091 0.000 0.629 80 A CB -0.619 18.356 19.000 -0.042 0.000 0.826 80 A HN 0.337 nan 8.150 nan 0.000 0.447 81 K N -0.561 119.807 120.400 -0.053 0.000 2.362 81 K HA -0.198 4.122 4.320 -0.000 0.000 0.202 81 K C 1.816 178.443 176.600 0.045 0.000 1.045 81 K CA 1.644 57.931 56.287 -0.000 0.000 0.936 81 K CB -0.140 32.358 32.500 -0.004 0.000 0.747 81 K HN 0.691 nan 8.250 nan 0.000 0.467 82 Q N -1.003 118.742 119.800 -0.091 0.000 2.392 82 Q HA 0.082 4.422 4.340 -0.000 0.000 0.203 82 Q C 1.571 177.405 176.000 -0.276 0.000 0.917 82 Q CA 0.309 55.993 55.803 -0.198 0.000 0.939 82 Q CB 0.405 28.938 28.738 -0.341 0.000 1.063 82 Q HN 0.390 nan 8.270 nan 0.000 0.516 83 M N -0.319 119.124 119.600 -0.262 0.000 2.691 83 M HA 0.122 4.602 4.480 -0.000 0.000 0.261 83 M C 0.423 176.825 176.300 0.170 0.000 1.227 83 M CA 0.173 55.285 55.300 -0.314 0.000 1.197 83 M CB 0.484 32.880 32.600 -0.342 0.000 1.294 83 M HN -0.034 nan 8.290 nan 0.000 0.508 84 I N 2.599 123.231 120.570 0.103 0.000 2.680 84 I HA 0.019 4.189 4.170 -0.000 0.000 0.286 84 I C 1.297 177.427 176.117 0.022 0.000 1.144 84 I CA 1.115 62.462 61.300 0.079 0.000 1.370 84 I CB -1.120 36.898 38.000 0.030 0.000 1.420 84 I HN 0.736 nan 8.210 nan 0.000 0.540 85 G N 5.754 114.559 108.800 0.009 0.000 2.313 85 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.215 85 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.215 85 G C 0.194 174.994 174.900 -0.166 0.000 1.023 85 G CA -0.511 44.502 45.100 -0.146 0.000 0.626 85 G HN 0.444 nan 8.290 nan 0.000 0.503 86 Y N 1.032 121.417 120.300 0.140 0.000 2.282 86 Y HA 0.616 5.166 4.550 -0.000 0.000 0.335 86 Y C 0.840 176.848 175.900 0.180 0.000 1.335 86 Y CA -0.300 57.907 58.100 0.177 0.000 1.529 86 Y CB 0.389 38.998 38.460 0.249 0.000 1.429 86 Y HN 0.125 nan 8.280 nan 0.000 0.563 87 N N 0.754 119.649 118.700 0.325 0.000 2.421 87 N HA 0.356 5.096 4.740 -0.000 0.000 0.285 87 N C -1.711 173.785 175.510 -0.024 0.000 1.027 87 N CA -0.563 52.563 53.050 0.126 0.000 0.918 87 N CB 1.099 39.640 38.487 0.089 0.000 1.152 87 N HN 0.348 nan 8.380 nan 0.000 0.485 88 L N 2.029 123.130 121.223 -0.204 0.000 2.295 88 L HA 0.782 5.122 4.340 -0.000 0.000 0.285 88 L C -0.714 176.008 176.870 -0.245 0.000 1.035 88 L CA -0.830 53.712 54.840 -0.495 0.000 0.806 88 L CB 0.949 42.563 42.059 -0.743 0.000 1.214 88 L HN 0.606 nan 8.230 nan 0.000 0.426 89 A N 3.613 126.308 122.820 -0.207 0.000 2.328 89 A HA 0.645 4.965 4.320 -0.000 0.000 0.318 89 A C 0.101 177.622 177.584 -0.106 0.000 1.347 89 A CA -0.052 51.918 52.037 -0.112 0.000 0.842 89 A CB 0.012 18.973 19.000 -0.065 0.000 1.148 89 A HN 0.823 nan 8.150 nan 0.000 0.499 90 T N -0.825 113.674 114.554 -0.093 0.000 2.897 90 T HA 0.381 4.731 4.350 -0.000 0.000 0.278 90 T C 0.629 175.302 174.700 -0.046 0.000 0.981 90 T CA -0.616 61.442 62.100 -0.071 0.000 0.973 90 T CB 0.869 69.698 68.868 -0.066 0.000 1.092 90 T HN 0.432 nan 8.240 nan 0.000 0.543 91 K N 0.328 120.707 120.400 -0.035 0.000 2.643 91 K HA 0.032 4.352 4.320 -0.000 0.000 0.193 91 K C 1.310 177.896 176.600 -0.025 0.000 1.027 91 K CA 0.623 56.894 56.287 -0.026 0.000 1.033 91 K CB -0.046 32.442 32.500 -0.020 0.000 0.827 91 K HN 0.573 nan 8.250 nan 0.000 0.500 92 Q N -0.699 119.085 119.800 -0.028 0.000 2.126 92 Q HA 0.020 4.360 4.340 -0.000 0.000 0.233 92 Q C 0.245 176.228 176.000 -0.028 0.000 0.788 92 Q CA 0.035 55.822 55.803 -0.026 0.000 0.968 92 Q CB 1.425 30.149 28.738 -0.022 0.000 1.163 92 Q HN 0.256 nan 8.270 nan 0.000 0.471 93 T N -1.563 112.971 114.554 -0.032 0.000 2.880 93 T HA 0.479 4.829 4.350 -0.000 0.000 0.279 93 T C -2.224 172.461 174.700 -0.025 0.000 0.990 93 T CA -1.512 60.569 62.100 -0.030 0.000 0.938 93 T CB 1.000 69.844 68.868 -0.039 0.000 1.206 93 T HN -0.254 nan 8.240 nan 0.000 0.573 94 P HA 0.213 nan 4.420 nan 0.000 0.330 94 P C 0.734 178.027 177.300 -0.011 0.000 1.377 94 P CA -0.316 62.776 63.100 -0.013 0.000 0.793 94 P CB 0.279 31.977 31.700 -0.004 0.000 1.813 95 K N -0.150 120.248 120.400 -0.003 0.000 2.098 95 K HA -0.063 4.257 4.320 -0.000 0.000 0.203 95 K C 1.291 177.890 176.600 -0.001 0.000 1.051 95 K CA 1.435 57.722 56.287 -0.000 0.000 0.957 95 K CB -0.965 31.540 32.500 0.008 0.000 0.738 95 K HN 0.478 nan 8.250 nan 0.000 0.447 96 E N 0.929 121.132 120.200 0.005 0.000 2.423 96 E HA 0.236 4.585 4.350 -0.000 0.000 0.198 96 E C 0.687 177.285 176.600 -0.003 0.000 1.038 96 E CA -0.234 56.171 56.400 0.009 0.000 1.011 96 E CB -0.322 29.392 29.700 0.024 0.000 1.118 96 E HN 0.301 nan 8.360 nan 0.000 0.451 97 G N 0.955 109.743 108.800 -0.020 0.000 2.616 97 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.361 97 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.361 97 G C 0.075 174.962 174.900 -0.020 0.000 1.361 97 G CA 0.662 45.741 45.100 -0.036 0.000 0.969 97 G HN 0.316 nan 8.290 nan 0.000 0.528 98 V N 0.058 119.953 119.914 -0.031 0.000 2.914 98 V HA 0.581 4.701 4.120 -0.000 0.000 0.314 98 V C 0.335 176.439 176.094 0.015 0.000 1.084 98 V CA -0.826 61.472 62.300 -0.003 0.000 0.963 98 V CB 1.970 33.793 31.823 -0.001 0.000 1.025 98 V HN 0.765 nan 8.190 nan 0.000 0.432 99 K N 1.333 121.758 120.400 0.041 0.000 2.276 99 K HA 0.551 4.870 4.320 -0.000 0.000 0.283 99 K C -1.023 175.628 176.600 0.086 0.000 1.044 99 K CA -0.299 56.030 56.287 0.070 0.000 0.944 99 K CB 1.370 33.901 32.500 0.053 0.000 1.012 99 K HN 0.493 nan 8.250 nan 0.000 0.472 100 V N 5.037 125.036 119.914 0.142 0.000 2.383 100 V HA 0.122 4.242 4.120 -0.000 0.000 0.275 100 V C 0.407 176.576 176.094 0.125 0.000 1.036 100 V CA -0.483 61.916 62.300 0.165 0.000 0.889 100 V CB 1.255 33.258 31.823 0.300 0.000 0.985 100 V HN 0.839 nan 8.190 nan 0.000 0.459 101 N N 3.406 122.162 118.700 0.094 0.000 2.181 101 N HA 0.205 4.945 4.740 -0.000 0.000 0.207 101 N C 0.043 175.584 175.510 0.051 0.000 1.182 101 N CA -0.027 53.060 53.050 0.062 0.000 0.893 101 N CB 1.271 39.788 38.487 0.050 0.000 1.032 101 N HN 0.549 nan 8.380 nan 0.000 0.513 102 K N 0.897 121.336 120.400 0.064 0.000 2.527 102 K HA 0.486 4.806 4.320 -0.000 0.000 0.260 102 K C -1.102 175.523 176.600 0.041 0.000 0.937 102 K CA -0.719 55.581 56.287 0.022 0.000 0.826 102 K CB 3.395 35.883 32.500 -0.020 0.000 1.359 102 K HN -0.171 nan 8.250 nan 0.000 0.434 103 V N -1.155 118.764 119.914 0.008 0.000 2.876 103 V HA 0.614 4.734 4.120 -0.000 0.000 0.312 103 V C -0.556 175.546 176.094 0.013 0.000 1.085 103 V CA -1.124 61.199 62.300 0.039 0.000 0.945 103 V CB 1.905 33.761 31.823 0.053 0.000 1.017 103 V HN 0.890 nan 8.190 nan 0.000 0.428 104 M N 3.770 123.394 119.600 0.039 0.000 2.209 104 M HA 0.703 5.183 4.480 -0.000 0.000 0.355 104 M C -1.563 174.799 176.300 0.104 0.000 1.171 104 M CA -0.492 54.838 55.300 0.050 0.000 1.069 104 M CB 1.578 34.160 32.600 -0.031 0.000 1.622 104 M HN 0.668 nan 8.290 nan 0.000 0.459 105 V N 5.212 125.232 119.914 0.176 0.000 2.326 105 V HA 0.745 4.865 4.120 -0.000 0.000 0.281 105 V C -0.164 176.086 176.094 0.260 0.000 1.015 105 V CA -0.497 61.915 62.300 0.187 0.000 0.823 105 V CB 0.580 32.508 31.823 0.175 0.000 1.009 105 V HN 0.972 nan 8.190 nan 0.000 0.436 106 A N 3.542 126.484 122.820 0.204 0.000 2.387 106 A HA 0.806 5.126 4.320 -0.000 0.000 0.303 106 A C -0.279 177.401 177.584 0.161 0.000 1.145 106 A CA -0.740 51.425 52.037 0.213 0.000 0.801 106 A CB 1.339 20.455 19.000 0.193 0.000 1.342 106 A HN 0.763 nan 8.150 nan 0.000 0.440 107 E N 1.029 121.311 120.200 0.137 0.000 2.223 107 E HA 0.493 4.843 4.350 -0.000 0.000 0.282 107 E C 0.211 176.877 176.600 0.109 0.000 1.046 107 E CA -0.411 56.056 56.400 0.111 0.000 0.857 107 E CB 0.834 30.586 29.700 0.086 0.000 1.055 107 E HN 0.796 nan 8.360 nan 0.000 0.409 108 A N 4.889 127.777 122.820 0.113 0.000 2.366 108 A HA 0.487 4.807 4.320 -0.000 0.000 0.249 108 A C -0.391 177.278 177.584 0.142 0.000 1.084 108 A CA -0.212 51.905 52.037 0.134 0.000 0.794 108 A CB 0.434 19.500 19.000 0.110 0.000 1.034 108 A HN 0.735 nan 8.150 nan 0.000 0.491 109 L N 0.017 121.366 121.223 0.209 0.000 2.341 109 L HA 0.406 4.746 4.340 -0.000 0.000 0.254 109 L C -0.980 176.006 176.870 0.194 0.000 1.040 109 L CA -1.082 53.890 54.840 0.219 0.000 0.837 109 L CB 2.066 44.310 42.059 0.309 0.000 1.425 109 L HN 0.606 nan 8.230 nan 0.000 0.414 110 D N 1.416 121.898 120.400 0.137 0.000 2.225 110 D HA 0.491 5.131 4.640 -0.000 0.000 0.249 110 D C -0.536 175.781 176.300 0.028 0.000 1.052 110 D CA 0.015 54.051 54.000 0.059 0.000 0.909 110 D CB 2.342 43.166 40.800 0.040 0.000 1.186 110 D HN 0.222 nan 8.370 nan 0.000 0.431 111 I N 1.713 122.228 120.570 -0.093 0.000 2.354 111 I HA 0.061 4.231 4.170 -0.000 0.000 0.286 111 I C 1.169 177.219 176.117 -0.111 0.000 1.007 111 I CA -0.300 60.881 61.300 -0.199 0.000 1.167 111 I CB 1.533 39.278 38.000 -0.426 0.000 1.320 111 I HN 0.187 nan 8.210 nan 0.000 0.458 112 S N 4.834 120.498 115.700 -0.060 0.000 2.325 112 S HA 0.080 4.550 4.470 -0.000 0.000 0.214 112 S C 0.958 175.516 174.600 -0.070 0.000 1.031 112 S CA 0.700 58.873 58.200 -0.045 0.000 0.972 112 S CB 0.076 63.267 63.200 -0.014 0.000 0.908 112 S HN 0.579 nan 8.310 nan 0.000 0.453 113 R N 1.513 121.967 120.500 -0.077 0.000 2.637 113 R HA 0.382 4.721 4.340 -0.000 0.000 0.291 113 R C -1.455 174.777 176.300 -0.113 0.000 0.963 113 R CA -0.223 55.812 56.100 -0.108 0.000 0.901 113 R CB 1.195 31.401 30.300 -0.156 0.000 1.160 113 R HN 0.235 nan 8.270 nan 0.000 0.457 114 E N 1.836 121.975 120.200 -0.102 0.000 2.158 114 E HA 0.247 4.596 4.350 -0.000 0.000 0.271 114 E C -0.932 175.660 176.600 -0.014 0.000 0.911 114 E CA -0.583 55.778 56.400 -0.067 0.000 0.767 114 E CB 2.273 31.933 29.700 -0.068 0.000 1.120 114 E HN 0.676 nan 8.360 nan 0.000 0.405 115 T N 0.027 114.624 114.554 0.072 0.000 2.909 115 T HA 0.327 4.677 4.350 -0.000 0.000 0.299 115 T C -1.265 173.601 174.700 0.277 0.000 1.073 115 T CA -0.770 61.417 62.100 0.144 0.000 0.999 115 T CB 0.941 69.875 68.868 0.110 0.000 1.098 115 T HN 0.386 nan 8.240 nan 0.000 0.477 116 Y N 3.531 123.911 120.300 0.134 0.000 2.341 116 Y HA 0.694 5.244 4.550 -0.000 0.000 0.340 116 Y C -1.202 174.764 175.900 0.110 0.000 0.997 116 Y CA -1.598 56.572 58.100 0.117 0.000 1.149 116 Y CB 1.011 39.511 38.460 0.067 0.000 1.171 116 Y HN 0.835 nan 8.280 nan 0.000 0.494 117 L N 5.823 126.948 121.223 -0.162 0.000 2.408 117 L HA 0.984 5.323 4.340 -0.000 0.000 0.268 117 L C -1.668 174.964 176.870 -0.398 0.000 0.986 117 L CA -0.540 54.209 54.840 -0.152 0.000 0.820 117 L CB 1.814 43.679 42.059 -0.324 0.000 1.303 117 L HN 0.750 nan 8.230 nan 0.000 0.411 118 A N 4.823 127.532 122.820 -0.185 0.000 2.604 118 A HA 0.846 5.166 4.320 -0.000 0.000 0.295 118 A C -1.679 175.796 177.584 -0.181 0.000 1.067 118 A CA -0.481 51.434 52.037 -0.204 0.000 0.683 118 A CB 1.189 20.130 19.000 -0.099 0.000 1.281 118 A HN 0.650 nan 8.150 nan 0.000 0.407 119 I N 1.521 121.907 120.570 -0.307 0.000 2.545 119 I HA 0.740 4.910 4.170 -0.000 0.000 0.292 119 I C -0.602 175.176 176.117 -0.565 0.000 1.040 119 I CA -0.780 60.201 61.300 -0.532 0.000 1.068 119 I CB 1.907 39.346 38.000 -0.936 0.000 1.251 119 I HN 0.839 nan 8.210 nan 0.000 0.424 120 L N 2.604 123.587 121.223 -0.399 0.000 2.775 120 L HA 0.610 4.950 4.340 -0.000 0.000 0.263 120 L C -1.555 175.379 176.870 0.107 0.000 1.017 120 L CA -1.049 53.769 54.840 -0.036 0.000 0.891 120 L CB 2.124 44.194 42.059 0.019 0.000 1.482 120 L HN 0.338 nan 8.230 nan 0.000 0.410 121 M N 2.375 122.119 119.600 0.241 0.000 2.156 121 M HA 0.246 4.726 4.480 -0.000 0.000 0.345 121 M C -0.655 175.702 176.300 0.094 0.000 1.398 121 M CA 0.224 55.631 55.300 0.178 0.000 1.148 121 M CB -0.155 32.536 32.600 0.152 0.000 1.663 121 M HN 0.618 nan 8.290 nan 0.000 0.464 122 D N 2.943 123.384 120.400 0.069 0.000 2.277 122 D HA 0.167 4.807 4.640 -0.000 0.000 0.249 122 D C -0.067 176.254 176.300 0.036 0.000 1.134 122 D CA -0.232 53.794 54.000 0.042 0.000 0.863 122 D CB 0.801 41.619 40.800 0.029 0.000 1.143 122 D HN 0.423 nan 8.370 nan 0.000 0.458 123 R N 3.017 123.533 120.500 0.027 0.000 4.792 123 R HA 0.257 4.597 4.340 -0.000 0.000 0.205 123 R C 0.032 176.340 176.300 0.013 0.000 1.875 123 R CA -0.051 56.061 56.100 0.021 0.000 1.588 123 R CB 0.037 30.346 30.300 0.016 0.000 1.401 123 R HN 0.321 nan 8.270 nan 0.000 0.834 124 S N -1.579 114.130 115.700 0.015 0.000 2.660 124 S HA -0.073 4.397 4.470 -0.000 0.000 0.262 124 S C 1.059 175.665 174.600 0.011 0.000 1.006 124 S CA -0.169 58.036 58.200 0.009 0.000 1.174 124 S CB 0.165 63.367 63.200 0.003 0.000 0.939 124 S HN 0.691 nan 8.310 nan 0.000 0.438 125 C N 2.757 122.068 119.300 0.017 0.000 3.038 125 C HA 0.475 4.935 4.460 -0.000 0.000 0.279 125 C C 0.592 175.599 174.990 0.028 0.000 1.276 125 C CA -0.220 58.810 59.018 0.020 0.000 1.697 125 C CB -1.994 25.759 27.740 0.021 0.000 2.032 125 C HN 0.616 nan 8.230 nan 0.000 0.636 126 N N 1.394 120.113 118.700 0.030 0.000 2.702 126 N HA -0.118 4.622 4.740 -0.000 0.000 0.255 126 N C 0.308 175.848 175.510 0.048 0.000 0.983 126 N CA 0.722 53.793 53.050 0.036 0.000 0.768 126 N CB -1.090 37.414 38.487 0.028 0.000 0.918 126 N HN 0.988 nan 8.380 nan 0.000 0.540 127 G N -0.588 108.248 108.800 0.061 0.000 2.559 127 G HA2 0.467 4.427 3.960 -0.000 0.000 0.291 127 G HA3 0.467 4.427 3.960 -0.000 0.000 0.291 127 G C -3.260 171.706 174.900 0.110 0.000 1.424 127 G CA -0.807 44.344 45.100 0.085 0.000 0.786 127 G HN -0.159 nan 8.290 nan 0.000 0.485 128 P HA 0.439 nan 4.420 nan 0.000 0.269 128 P C -0.567 176.792 177.300 0.098 0.000 1.209 128 P CA -0.188 63.029 63.100 0.195 0.000 0.776 128 P CB 1.413 33.346 31.700 0.387 0.000 0.876 129 V N 3.725 123.652 119.914 0.023 0.000 2.925 129 V HA 0.317 4.436 4.120 -0.000 0.000 0.311 129 V C -0.497 175.569 176.094 -0.047 0.000 1.104 129 V CA -0.722 61.576 62.300 -0.002 0.000 0.954 129 V CB 2.301 34.127 31.823 0.006 0.000 1.022 129 V HN 0.268 nan 8.190 nan 0.000 0.427 130 L N 3.782 124.991 121.223 -0.023 0.000 2.295 130 L HA 0.637 4.977 4.340 -0.000 0.000 0.285 130 L C -0.339 176.547 176.870 0.026 0.000 1.035 130 L CA 0.012 54.837 54.840 -0.024 0.000 0.806 130 L CB 1.711 43.762 42.059 -0.014 0.000 1.214 130 L HN 0.427 nan 8.230 nan 0.000 0.426 131 V N 3.602 123.547 119.914 0.051 0.000 2.380 131 V HA 0.764 4.884 4.120 -0.000 0.000 0.286 131 V C 0.321 176.547 176.094 0.220 0.000 1.015 131 V CA -0.473 61.901 62.300 0.123 0.000 0.834 131 V CB 1.313 33.211 31.823 0.125 0.000 1.009 131 V HN 0.831 nan 8.190 nan 0.000 0.428 132 G N 2.334 111.271 108.800 0.229 0.000 2.498 132 G HA2 0.712 4.672 3.960 -0.000 0.000 0.312 132 G HA3 0.712 4.672 3.960 -0.000 0.000 0.312 132 G C -1.021 174.067 174.900 0.314 0.000 1.230 132 G CA -0.675 44.591 45.100 0.277 0.000 0.968 132 G HN 0.676 nan 8.290 nan 0.000 0.481 133 S N 0.423 116.291 115.700 0.280 0.000 2.603 133 S HA 0.585 5.055 4.470 -0.000 0.000 0.274 133 S C -2.192 172.494 174.600 0.143 0.000 1.168 133 S CA -1.092 57.249 58.200 0.234 0.000 0.963 133 S CB 2.566 65.839 63.200 0.122 0.000 1.078 133 S HN 0.333 nan 8.310 nan 0.000 0.477 134 P HA -0.045 nan 4.420 nan 0.000 0.242 134 P C -0.024 177.269 177.300 -0.011 0.000 1.197 134 P CA 0.434 63.510 63.100 -0.039 0.000 0.765 134 P CB -0.033 31.613 31.700 -0.090 0.000 0.936 135 Q N 0.773 120.599 119.800 0.043 0.000 2.431 135 Q HA 0.512 4.852 4.340 -0.000 0.000 0.249 135 Q C -0.001 176.040 176.000 0.068 0.000 1.025 135 Q CA -0.644 55.178 55.803 0.031 0.000 0.835 135 Q CB 0.587 29.340 28.738 0.024 0.000 1.207 135 Q HN -0.021 nan 8.270 nan 0.000 0.490 136 G N 0.924 109.762 108.800 0.064 0.000 2.671 136 G HA2 0.543 4.503 3.960 -0.000 0.000 0.275 136 G HA3 0.543 4.503 3.960 -0.000 0.000 0.275 136 G C 0.631 175.571 174.900 0.067 0.000 1.368 136 G CA -0.275 44.891 45.100 0.110 0.000 1.044 136 G HN 1.066 nan 8.290 nan 0.000 0.543 137 G N -2.306 106.537 108.800 0.071 0.000 2.353 137 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.258 137 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.258 137 G C 0.480 175.408 174.900 0.046 0.000 1.013 137 G CA 0.907 46.028 45.100 0.034 0.000 0.622 137 G HN 1.186 nan 8.290 nan 0.000 0.535 138 V N 1.576 121.527 119.914 0.062 0.000 2.837 138 V HA 0.477 4.597 4.120 -0.000 0.000 0.310 138 V C 0.525 176.662 176.094 0.072 0.000 1.059 138 V CA -0.615 61.712 62.300 0.046 0.000 1.004 138 V CB 1.810 33.645 31.823 0.019 0.000 1.045 138 V HN 0.387 nan 8.190 nan 0.000 0.465 139 D N 1.797 122.222 120.400 0.041 0.000 2.458 139 D HA 0.003 4.643 4.640 -0.000 0.000 0.243 139 D C 1.100 177.393 176.300 -0.012 0.000 1.146 139 D CA 0.191 54.215 54.000 0.040 0.000 0.877 139 D CB 1.089 41.897 40.800 0.015 0.000 1.176 139 D HN 0.566 nan 8.370 nan 0.000 0.461 140 I N 3.754 124.297 120.570 -0.045 0.000 2.163 140 I HA -0.299 3.870 4.170 -0.000 0.000 0.243 140 I C 1.817 177.825 176.117 -0.180 0.000 1.085 140 I CA 1.269 62.407 61.300 -0.270 0.000 1.347 140 I CB 0.127 37.790 38.000 -0.561 0.000 1.044 140 I HN 0.528 nan 8.210 nan 0.000 0.408 141 E N 0.377 120.516 120.200 -0.102 0.000 2.065 141 E HA -0.304 4.046 4.350 -0.000 0.000 0.201 141 E C 2.083 178.639 176.600 -0.073 0.000 1.016 141 E CA 1.605 57.959 56.400 -0.077 0.000 0.818 141 E CB -0.249 29.424 29.700 -0.046 0.000 0.749 141 E HN 0.483 nan 8.360 nan 0.000 0.453 142 E N 0.535 120.700 120.200 -0.058 0.000 2.007 142 E HA -0.202 4.148 4.350 -0.000 0.000 0.203 142 E C 2.362 178.927 176.600 -0.059 0.000 1.020 142 E CA 1.158 57.529 56.400 -0.048 0.000 0.845 142 E CB -0.642 29.038 29.700 -0.033 0.000 0.779 142 E HN 0.084 nan 8.360 nan 0.000 0.466 143 V N 1.922 121.795 119.914 -0.068 0.000 2.277 143 V HA -0.395 3.725 4.120 -0.000 0.000 0.255 143 V C 2.464 178.511 176.094 -0.078 0.000 1.074 143 V CA 2.479 64.738 62.300 -0.069 0.000 1.058 143 V CB -1.262 30.509 31.823 -0.087 0.000 0.656 143 V HN 0.389 nan 8.190 nan 0.000 0.449 144 A N 0.040 122.798 122.820 -0.103 0.000 1.842 144 A HA -0.207 4.112 4.320 -0.000 0.000 0.217 144 A C 2.480 180.021 177.584 -0.073 0.000 1.206 144 A CA 3.078 55.057 52.037 -0.098 0.000 0.630 144 A CB -1.297 17.640 19.000 -0.105 0.000 0.839 144 A HN 0.719 nan 8.150 nan 0.000 0.447 145 A N -0.665 122.117 122.820 -0.063 0.000 1.852 145 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 145 A C 2.459 180.017 177.584 -0.044 0.000 1.215 145 A CA 2.910 54.917 52.037 -0.049 0.000 0.641 145 A CB -1.415 17.560 19.000 -0.042 0.000 0.838 145 A HN 0.600 nan 8.150 nan 0.000 0.450 146 S N 0.321 115.997 115.700 -0.041 0.000 2.374 146 S HA -0.146 4.324 4.470 -0.000 0.000 0.227 146 S C 0.150 174.729 174.600 -0.035 0.000 1.037 146 S CA 1.629 59.808 58.200 -0.034 0.000 1.024 146 S CB -0.438 62.744 63.200 -0.030 0.000 0.861 146 S HN 0.750 nan 8.310 nan 0.000 0.456 147 N N -0.390 118.284 118.700 -0.042 0.000 2.701 147 N HA 0.221 4.961 4.740 -0.000 0.000 0.258 147 N C -2.410 173.063 175.510 -0.062 0.000 1.262 147 N CA -1.015 52.009 53.050 -0.043 0.000 0.780 147 N CB 1.788 40.258 38.487 -0.028 0.000 1.380 147 N HN 0.015 nan 8.380 nan 0.000 0.548 148 P HA -0.179 nan 4.420 nan 0.000 0.216 148 P C 0.477 177.686 177.300 -0.152 0.000 1.153 148 P CA 1.399 64.437 63.100 -0.103 0.000 0.848 148 P CB 0.501 32.146 31.700 -0.090 0.000 0.787 149 E N 0.192 120.306 120.200 -0.143 0.000 2.265 149 E HA -0.085 4.265 4.350 -0.000 0.000 0.196 149 E C 2.188 178.619 176.600 -0.281 0.000 0.996 149 E CA 0.601 56.874 56.400 -0.211 0.000 0.832 149 E CB -0.791 28.835 29.700 -0.123 0.000 0.756 149 E HN 0.402 nan 8.360 nan 0.000 0.491 150 L N 0.588 121.741 121.223 -0.117 0.000 2.551 150 L HA -0.041 4.299 4.340 -0.000 0.000 0.228 150 L C 0.440 177.360 176.870 0.083 0.000 1.153 150 L CA 0.058 54.928 54.840 0.051 0.000 0.851 150 L CB -0.018 42.075 42.059 0.057 0.000 0.959 150 L HN -0.004 nan 8.230 nan 0.000 0.451 151 I N -0.863 119.592 120.570 -0.192 0.000 2.385 151 I HA 0.250 4.420 4.170 -0.000 0.000 0.294 151 I C -0.465 175.402 176.117 -0.418 0.000 0.988 151 I CA -0.041 61.186 61.300 -0.122 0.000 1.265 151 I CB 1.109 39.030 38.000 -0.131 0.000 1.388 151 I HN -0.242 nan 8.210 nan 0.000 0.480 152 F N 4.906 124.852 119.950 -0.008 0.000 2.529 152 F HA 0.608 5.135 4.527 -0.000 0.000 0.320 152 F C 0.084 175.887 175.800 0.004 0.000 1.118 152 F CA -0.866 57.135 58.000 0.002 0.000 0.915 152 F CB 1.506 40.516 39.000 0.017 0.000 1.161 152 F HN 0.224 nan 8.300 nan 0.000 0.445 153 K N 2.079 122.542 120.400 0.105 0.000 2.340 153 K HA 0.682 5.002 4.320 -0.000 0.000 0.244 153 K C -1.137 175.499 176.600 0.061 0.000 0.973 153 K CA -1.092 55.235 56.287 0.066 0.000 0.828 153 K CB 2.699 35.209 32.500 0.017 0.000 1.226 153 K HN 0.531 nan 8.250 nan 0.000 0.437 154 E N 2.332 122.555 120.200 0.039 0.000 2.378 154 E HA 0.086 4.436 4.350 -0.000 0.000 0.282 154 E C -1.423 175.180 176.600 0.004 0.000 0.910 154 E CA -0.655 55.759 56.400 0.022 0.000 0.816 154 E CB 2.060 31.773 29.700 0.021 0.000 1.359 154 E HN 0.381 nan 8.360 nan 0.000 0.397 155 Q N 1.663 121.466 119.800 0.005 0.000 2.286 155 Q HA 0.233 4.573 4.340 -0.000 0.000 0.267 155 Q C -0.447 175.549 176.000 -0.007 0.000 1.028 155 Q CA 0.241 56.048 55.803 0.008 0.000 0.901 155 Q CB 0.312 29.057 28.738 0.012 0.000 1.183 155 Q HN 0.362 nan 8.270 nan 0.000 0.392 156 I N 2.037 122.605 120.570 -0.003 0.000 2.359 156 I HA 0.079 4.249 4.170 -0.000 0.000 0.294 156 I C 0.145 176.268 176.117 0.010 0.000 0.987 156 I CA -0.403 60.868 61.300 -0.049 0.000 1.225 156 I CB 1.316 39.223 38.000 -0.155 0.000 1.366 156 I HN 0.503 nan 8.210 nan 0.000 0.466 157 D N 5.517 125.911 120.400 -0.009 0.000 2.358 157 D HA -0.032 4.608 4.640 -0.000 0.000 0.258 157 D C 1.324 177.662 176.300 0.063 0.000 1.223 157 D CA -0.107 53.908 54.000 0.025 0.000 0.886 157 D CB 0.858 41.663 40.800 0.008 0.000 1.120 157 D HN 0.492 nan 8.370 nan 0.000 0.482 158 I N 5.579 126.212 120.570 0.105 0.000 2.502 158 I HA -0.280 3.890 4.170 -0.000 0.000 0.258 158 I C 1.537 177.725 176.117 0.119 0.000 1.172 158 I CA 1.249 62.640 61.300 0.151 0.000 1.430 158 I CB 0.078 38.152 38.000 0.124 0.000 1.086 158 I HN 0.495 nan 8.210 nan 0.000 0.440 159 I N -0.517 120.098 120.570 0.075 0.000 2.927 159 I HA -0.022 4.148 4.170 -0.000 0.000 0.268 159 I C 2.164 178.310 176.117 0.049 0.000 1.153 159 I CA 0.767 62.102 61.300 0.059 0.000 1.459 159 I CB -1.318 36.706 38.000 0.041 0.000 1.149 159 I HN 0.262 nan 8.210 nan 0.000 0.443 160 E N 1.284 121.502 120.200 0.031 0.000 2.216 160 E HA 0.188 4.538 4.350 -0.000 0.000 0.192 160 E C 1.125 177.723 176.600 -0.002 0.000 0.988 160 E CA 0.591 56.996 56.400 0.009 0.000 0.834 160 E CB 0.062 29.757 29.700 -0.009 0.000 0.772 160 E HN 0.506 nan 8.360 nan 0.000 0.479 161 G N 1.655 110.454 108.800 -0.001 0.000 2.760 161 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.246 161 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.246 161 G C -0.312 174.410 174.900 -0.297 0.000 1.359 161 G CA -0.335 44.725 45.100 -0.066 0.000 0.861 161 G HN 0.238 nan 8.290 nan 0.000 0.541 162 I N 0.015 120.228 120.570 -0.595 0.000 2.882 162 I HA 0.541 4.711 4.170 -0.000 0.000 0.286 162 I C 0.525 176.511 176.117 -0.219 0.000 1.139 162 I CA -0.106 60.901 61.300 -0.490 0.000 1.379 162 I CB 0.375 38.015 38.000 -0.600 0.000 1.410 162 I HN 0.563 nan 8.210 nan 0.000 0.594 163 K N 4.278 124.586 120.400 -0.153 0.000 2.371 163 K HA 0.261 4.581 4.320 -0.000 0.000 0.251 163 K C -0.064 176.498 176.600 -0.064 0.000 0.934 163 K CA -0.690 55.546 56.287 -0.085 0.000 0.798 163 K CB 1.688 34.150 32.500 -0.063 0.000 1.204 163 K HN 0.485 nan 8.250 nan 0.000 0.427 164 D N 0.743 121.118 120.400 -0.042 0.000 2.154 164 D HA -0.241 4.399 4.640 -0.000 0.000 0.190 164 D C 1.268 177.554 176.300 -0.023 0.000 1.003 164 D CA 2.174 56.157 54.000 -0.027 0.000 0.849 164 D CB 0.021 40.811 40.800 -0.017 0.000 0.942 164 D HN 0.491 nan 8.370 nan 0.000 0.446 165 S N 0.175 115.862 115.700 -0.021 0.000 2.407 165 S HA -0.362 4.108 4.470 -0.000 0.000 0.244 165 S C 1.919 176.511 174.600 -0.014 0.000 1.077 165 S CA 1.789 59.980 58.200 -0.015 0.000 1.159 165 S CB -0.626 62.565 63.200 -0.016 0.000 1.045 165 S HN 0.420 nan 8.310 nan 0.000 0.438 166 Q N 0.798 120.581 119.800 -0.029 0.000 2.016 166 Q HA 0.027 4.367 4.340 -0.000 0.000 0.200 166 Q C 2.677 178.664 176.000 -0.021 0.000 0.978 166 Q CA 1.278 57.064 55.803 -0.029 0.000 0.833 166 Q CB -0.474 28.227 28.738 -0.061 0.000 0.895 166 Q HN 0.595 nan 8.270 nan 0.000 0.427 167 A N 1.012 123.812 122.820 -0.033 0.000 1.849 167 A HA -0.338 3.982 4.320 -0.000 0.000 0.217 167 A C 2.118 179.708 177.584 0.009 0.000 1.202 167 A CA 2.023 54.050 52.037 -0.017 0.000 0.629 167 A CB -0.883 18.102 19.000 -0.024 0.000 0.834 167 A HN 0.306 nan 8.150 nan 0.000 0.447 168 Q N -0.408 119.395 119.800 0.005 0.000 2.045 168 Q HA -0.223 4.117 4.340 -0.000 0.000 0.206 168 Q C 2.227 178.240 176.000 0.021 0.000 0.991 168 Q CA 2.442 58.255 55.803 0.015 0.000 0.851 168 Q CB -0.356 28.386 28.738 0.007 0.000 0.911 168 Q HN 0.638 nan 8.270 nan 0.000 0.418 169 R N -1.016 119.491 120.500 0.013 0.000 2.117 169 R HA -0.211 4.129 4.340 -0.000 0.000 0.243 169 R C 2.079 178.383 176.300 0.007 0.000 1.143 169 R CA 1.854 57.962 56.100 0.013 0.000 0.968 169 R CB -0.274 30.037 30.300 0.019 0.000 0.863 169 R HN 0.385 nan 8.270 nan 0.000 0.444 170 M N 0.231 119.843 119.600 0.019 0.000 2.123 170 M HA 0.036 4.516 4.480 -0.000 0.000 0.263 170 M C 2.040 178.364 176.300 0.041 0.000 1.069 170 M CA 1.891 57.203 55.300 0.020 0.000 1.133 170 M CB -0.500 32.126 32.600 0.043 0.000 1.356 170 M HN 0.194 nan 8.290 nan 0.000 0.415 171 A N 0.087 122.967 122.820 0.101 0.000 1.884 171 A HA -0.275 4.045 4.320 -0.000 0.000 0.219 171 A C 2.045 179.720 177.584 0.152 0.000 1.197 171 A CA 2.386 54.549 52.037 0.210 0.000 0.637 171 A CB -1.155 17.930 19.000 0.141 0.000 0.827 171 A HN 0.699 nan 8.150 nan 0.000 0.450 172 E N -0.447 119.781 120.200 0.047 0.000 2.049 172 E HA -0.246 4.104 4.350 -0.000 0.000 0.198 172 E C 1.941 178.470 176.600 -0.118 0.000 1.007 172 E CA 1.543 57.936 56.400 -0.012 0.000 0.809 172 E CB -0.368 29.320 29.700 -0.019 0.000 0.749 172 E HN 0.771 nan 8.360 nan 0.000 0.450 173 N N 0.290 118.860 118.700 -0.218 0.000 2.272 173 N HA -0.148 4.592 4.740 -0.000 0.000 0.185 173 N C 1.731 176.897 175.510 -0.574 0.000 1.014 173 N CA 0.535 53.240 53.050 -0.576 0.000 0.870 173 N CB -0.012 37.973 38.487 -0.836 0.000 0.975 173 N HN 0.093 nan 8.380 nan 0.000 0.433 174 L N -1.208 119.851 121.223 -0.273 0.000 2.313 174 L HA 0.091 4.431 4.340 -0.000 0.000 0.214 174 L C 1.603 178.237 176.870 -0.394 0.000 1.119 174 L CA 0.672 55.376 54.840 -0.226 0.000 0.809 174 L CB 0.024 42.116 42.059 0.056 0.000 0.933 174 L HN 0.340 nan 8.230 nan 0.000 0.449 175 G N -1.111 107.483 108.800 -0.342 0.000 2.255 175 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.196 175 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.196 175 G C 0.081 174.788 174.900 -0.321 0.000 0.998 175 G CA -0.681 44.212 45.100 -0.345 0.000 0.656 175 G HN 0.077 nan 8.290 nan 0.000 0.490 176 F N 2.796 122.712 119.950 -0.057 0.000 2.518 176 F HA 0.450 4.977 4.527 -0.000 0.000 0.375 176 F C 1.372 177.147 175.800 -0.042 0.000 1.097 176 F CA -0.084 57.885 58.000 -0.052 0.000 1.108 176 F CB 0.089 39.057 39.000 -0.052 0.000 1.078 176 F HN 0.042 nan 8.300 nan 0.000 0.564 177 L N 3.330 124.610 121.223 0.094 0.000 2.417 177 L HA 0.423 4.763 4.340 -0.000 0.000 0.268 177 L C 1.547 178.451 176.870 0.056 0.000 1.158 177 L CA -0.067 54.803 54.840 0.049 0.000 0.819 177 L CB 0.080 42.149 42.059 0.016 0.000 1.112 177 L HN 0.840 nan 8.230 nan 0.000 0.458 178 G N 3.150 111.971 108.800 0.035 0.000 2.686 178 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.359 178 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.359 178 G C -1.153 173.763 174.900 0.026 0.000 1.222 178 G CA 0.793 45.908 45.100 0.026 0.000 0.956 178 G HN 0.641 nan 8.290 nan 0.000 0.565 179 P HA -0.110 nan 4.420 nan 0.000 0.214 179 P C 2.397 179.700 177.300 0.005 0.000 1.172 179 P CA 1.913 65.018 63.100 0.009 0.000 0.925 179 P CB -0.283 31.421 31.700 0.007 0.000 0.793 180 L N -0.938 120.296 121.223 0.019 0.000 2.051 180 L HA -0.296 4.043 4.340 -0.000 0.000 0.214 180 L C 2.814 179.672 176.870 -0.019 0.000 1.076 180 L CA 1.680 56.522 54.840 0.004 0.000 0.758 180 L CB -0.960 41.149 42.059 0.084 0.000 0.890 180 L HN 0.099 nan 8.230 nan 0.000 0.433 181 Q N 0.260 120.099 119.800 0.065 0.000 2.182 181 Q HA -0.340 4.000 4.340 -0.000 0.000 0.213 181 Q C 1.909 177.909 176.000 -0.000 0.000 1.000 181 Q CA 2.499 58.352 55.803 0.083 0.000 0.889 181 Q CB -0.275 28.510 28.738 0.079 0.000 0.932 181 Q HN 0.594 nan 8.270 nan 0.000 0.415 182 N N -0.924 117.766 118.700 -0.017 0.000 2.457 182 N HA -0.158 4.582 4.740 -0.000 0.000 0.180 182 N C 1.868 177.343 175.510 -0.059 0.000 1.050 182 N CA 0.410 53.443 53.050 -0.028 0.000 0.906 182 N CB 0.105 38.582 38.487 -0.017 0.000 0.968 182 N HN 0.346 nan 8.380 nan 0.000 0.445 183 Q N 0.496 120.235 119.800 -0.101 0.000 2.049 183 Q HA -0.057 4.283 4.340 -0.000 0.000 0.198 183 Q C 1.978 177.871 176.000 -0.179 0.000 0.971 183 Q CA 1.314 57.039 55.803 -0.130 0.000 0.833 183 Q CB -0.108 28.536 28.738 -0.157 0.000 0.896 183 Q HN 0.372 nan 8.270 nan 0.000 0.434 184 A N 0.886 123.503 122.820 -0.340 0.000 1.978 184 A HA -0.152 4.168 4.320 -0.000 0.000 0.220 184 A C 2.247 179.804 177.584 -0.045 0.000 1.170 184 A CA 1.710 53.514 52.037 -0.388 0.000 0.636 184 A CB -0.923 17.527 19.000 -0.916 0.000 0.810 184 A HN 0.573 nan 8.150 nan 0.000 0.448 185 A N 0.010 122.803 122.820 -0.044 0.000 1.858 185 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 185 A C 1.861 179.446 177.584 0.001 0.000 1.190 185 A CA 2.132 54.170 52.037 0.001 0.000 0.617 185 A CB -0.832 18.166 19.000 -0.004 0.000 0.827 185 A HN 0.543 nan 8.150 nan 0.000 0.443 186 D N -1.233 119.160 120.400 -0.012 0.000 2.104 186 D HA -0.186 4.454 4.640 -0.000 0.000 0.194 186 D C 2.141 178.448 176.300 0.012 0.000 0.994 186 D CA 1.564 55.562 54.000 -0.004 0.000 0.830 186 D CB -0.053 40.739 40.800 -0.015 0.000 0.959 186 D HN 0.337 nan 8.370 nan 0.000 0.452 187 Q N -0.099 119.718 119.800 0.027 0.000 2.096 187 Q HA -0.125 4.215 4.340 -0.000 0.000 0.204 187 Q C 2.589 178.607 176.000 0.029 0.000 0.982 187 Q CA 0.869 56.712 55.803 0.067 0.000 0.850 187 Q CB -0.281 28.567 28.738 0.184 0.000 0.901 187 Q HN 0.521 nan 8.270 nan 0.000 0.422 188 I N 0.687 121.269 120.570 0.020 0.000 2.286 188 I HA -0.282 3.888 4.170 -0.000 0.000 0.248 188 I C 2.186 178.296 176.117 -0.011 0.000 1.115 188 I CA 1.140 62.404 61.300 -0.059 0.000 1.392 188 I CB -0.193 37.787 38.000 -0.033 0.000 1.065 188 I HN 0.155 nan 8.210 nan 0.000 0.418 189 K N 0.640 121.048 120.400 0.013 0.000 2.147 189 K HA -0.146 4.174 4.320 -0.000 0.000 0.205 189 K C 2.096 178.745 176.600 0.082 0.000 1.049 189 K CA 0.927 57.240 56.287 0.043 0.000 0.936 189 K CB -0.059 32.455 32.500 0.023 0.000 0.722 189 K HN 0.237 nan 8.250 nan 0.000 0.446 190 K N 1.103 121.530 120.400 0.045 0.000 2.025 190 K HA -0.091 4.229 4.320 -0.000 0.000 0.207 190 K C 2.241 178.865 176.600 0.040 0.000 1.049 190 K CA 1.105 57.417 56.287 0.041 0.000 0.933 190 K CB -0.422 32.090 32.500 0.021 0.000 0.714 190 K HN 0.147 nan 8.250 nan 0.000 0.438 191 L N -0.116 121.109 121.223 0.004 0.000 1.989 191 L HA -0.237 4.103 4.340 -0.000 0.000 0.211 191 L C 2.630 179.521 176.870 0.036 0.000 1.071 191 L CA 1.556 56.381 54.840 -0.025 0.000 0.749 191 L CB -0.766 41.213 42.059 -0.133 0.000 0.890 191 L HN 0.096 nan 8.230 nan 0.000 0.431 192 Y N 1.279 121.549 120.300 -0.050 0.000 2.081 192 Y HA -0.345 4.205 4.550 -0.000 0.000 0.280 192 Y C 2.618 178.601 175.900 0.139 0.000 1.163 192 Y CA 2.018 60.121 58.100 0.006 0.000 1.135 192 Y CB -0.348 38.097 38.460 -0.026 0.000 0.970 192 Y HN 0.219 nan 8.280 nan 0.000 0.498 193 N N 0.399 119.201 118.700 0.169 0.000 2.120 193 N HA -0.188 4.552 4.740 -0.000 0.000 0.188 193 N C 1.900 177.410 175.510 0.001 0.000 1.024 193 N CA 1.558 54.655 53.050 0.079 0.000 0.852 193 N CB -0.563 38.002 38.487 0.130 0.000 1.003 193 N HN 0.456 nan 8.380 nan 0.000 0.424 194 L N 0.700 121.938 121.223 0.024 0.000 2.017 194 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 194 L C 2.190 179.057 176.870 -0.006 0.000 1.073 194 L CA 1.403 56.249 54.840 0.010 0.000 0.745 194 L CB -1.045 41.025 42.059 0.018 0.000 0.894 194 L HN 0.019 nan 8.230 nan 0.000 0.432 195 F N 0.018 119.858 119.950 -0.184 0.000 2.087 195 F HA -0.304 4.223 4.527 -0.000 0.000 0.299 195 F C 2.018 177.670 175.800 -0.247 0.000 1.100 195 F CA 2.307 60.164 58.000 -0.238 0.000 1.226 195 F CB -0.466 38.358 39.000 -0.293 0.000 0.983 195 F HN 0.105 nan 8.300 nan 0.000 0.479 196 L N 0.024 121.049 121.223 -0.330 0.000 2.027 196 L HA -0.205 4.135 4.340 -0.000 0.000 0.206 196 L C 2.628 179.347 176.870 -0.253 0.000 1.074 196 L CA 1.730 56.332 54.840 -0.396 0.000 0.745 196 L CB -0.830 41.056 42.059 -0.288 0.000 0.898 196 L HN 0.166 nan 8.230 nan 0.000 0.433 197 K N 1.326 121.637 120.400 -0.149 0.000 2.001 197 K HA -0.224 4.096 4.320 -0.000 0.000 0.214 197 K C 1.814 178.362 176.600 -0.086 0.000 1.050 197 K CA 2.132 58.367 56.287 -0.087 0.000 0.934 197 K CB -0.280 32.194 32.500 -0.042 0.000 0.718 197 K HN 0.438 nan 8.250 nan 0.000 0.443 198 I N -1.642 118.886 120.570 -0.071 0.000 3.605 198 I HA 0.019 4.189 4.170 -0.000 0.000 0.301 198 I C -0.659 175.459 176.117 0.003 0.000 1.267 198 I CA 0.336 61.644 61.300 0.013 0.000 1.236 198 I CB -0.337 37.752 38.000 0.148 0.000 1.010 198 I HN 0.192 nan 8.210 nan 0.000 0.491 199 D N 2.332 122.637 120.400 -0.157 0.000 2.686 199 D HA -0.171 4.469 4.640 -0.000 0.000 0.235 199 D C 0.454 176.622 176.300 -0.220 0.000 1.160 199 D CA 0.988 54.870 54.000 -0.197 0.000 0.645 199 D CB -0.375 40.372 40.800 -0.088 0.000 1.039 199 D HN 0.706 nan 8.370 nan 0.000 0.423 200 A N 0.064 122.602 122.820 -0.470 0.000 2.327 200 A HA 0.468 4.788 4.320 -0.000 0.000 0.283 200 A C 1.591 178.885 177.584 -0.484 0.000 1.127 200 A CA 0.320 52.063 52.037 -0.490 0.000 0.810 200 A CB 0.820 19.512 19.000 -0.515 0.000 1.066 200 A HN 0.255 nan 8.150 nan 0.000 0.492 201 T N -0.662 113.782 114.554 -0.184 0.000 3.043 201 T HA 0.162 4.512 4.350 -0.000 0.000 0.263 201 T C 0.512 175.334 174.700 0.204 0.000 1.094 201 T CA 1.085 63.178 62.100 -0.013 0.000 1.127 201 T CB -0.149 68.721 68.868 0.003 0.000 0.905 201 T HN 0.801 nan 8.240 nan 0.000 0.490 202 Q N -0.232 119.664 119.800 0.160 0.000 2.503 202 Q HA 0.502 4.842 4.340 -0.000 0.000 0.268 202 Q C -2.586 173.424 176.000 0.017 0.000 0.982 202 Q CA -0.720 55.181 55.803 0.165 0.000 0.907 202 Q CB 2.334 31.095 28.738 0.038 0.000 1.467 202 Q HN 0.137 nan 8.270 nan 0.000 0.394 203 V N 3.068 122.973 119.914 -0.015 0.000 2.409 203 V HA 0.433 4.553 4.120 -0.000 0.000 0.290 203 V C -0.845 175.151 176.094 -0.165 0.000 1.017 203 V CA -0.525 61.714 62.300 -0.101 0.000 0.841 203 V CB 1.588 33.372 31.823 -0.064 0.000 1.003 203 V HN 0.732 nan 8.190 nan 0.000 0.426 204 E N 3.891 123.991 120.200 -0.167 0.000 2.165 204 E HA 0.642 4.992 4.350 -0.000 0.000 0.266 204 E C -1.589 174.866 176.600 -0.243 0.000 0.889 204 E CA -0.476 55.784 56.400 -0.233 0.000 0.756 204 E CB 2.064 31.666 29.700 -0.163 0.000 1.131 204 E HN 0.487 nan 8.360 nan 0.000 0.411 205 V N 4.777 124.493 119.914 -0.330 0.000 2.417 205 V HA 0.457 4.577 4.120 -0.000 0.000 0.291 205 V C -0.365 175.608 176.094 -0.201 0.000 1.024 205 V CA -0.835 61.347 62.300 -0.197 0.000 0.861 205 V CB 1.446 33.178 31.823 -0.152 0.000 0.985 205 V HN 0.614 nan 8.190 nan 0.000 0.436 206 N N 5.479 124.145 118.700 -0.057 0.000 2.616 206 N HA 0.398 5.138 4.740 -0.000 0.000 0.281 206 N C -3.108 172.447 175.510 0.075 0.000 1.145 206 N CA -0.935 52.117 53.050 0.003 0.000 0.919 206 N CB 3.222 41.691 38.487 -0.031 0.000 1.509 206 N HN 0.382 nan 8.380 nan 0.000 0.537 207 P HA 0.296 nan 4.420 nan 0.000 0.281 207 P C -0.957 176.538 177.300 0.326 0.000 1.249 207 P CA -0.436 62.751 63.100 0.144 0.000 0.810 207 P CB 0.848 32.557 31.700 0.015 0.000 1.008 208 F N 2.416 122.454 119.950 0.147 0.000 2.335 208 F HA 0.570 5.097 4.527 -0.000 0.000 0.365 208 F C 0.136 176.131 175.800 0.325 0.000 1.122 208 F CA -0.434 57.691 58.000 0.209 0.000 1.151 208 F CB 0.053 39.136 39.000 0.138 0.000 1.282 208 F HN 0.383 nan 8.300 nan 0.000 0.513 209 G N 4.044 113.044 108.800 0.334 0.000 2.887 209 G HA2 0.473 4.433 3.960 -0.000 0.000 0.277 209 G HA3 0.473 4.433 3.960 -0.000 0.000 0.277 209 G C -1.594 173.471 174.900 0.275 0.000 1.346 209 G CA -0.748 44.508 45.100 0.260 0.000 1.058 209 G HN 0.563 nan 8.290 nan 0.000 0.535 210 E N -0.717 119.613 120.200 0.216 0.000 2.246 210 E HA 0.496 4.846 4.350 -0.000 0.000 0.266 210 E C -0.145 176.544 176.600 0.148 0.000 0.880 210 E CA -0.712 55.806 56.400 0.197 0.000 0.762 210 E CB 1.604 31.430 29.700 0.209 0.000 1.180 210 E HN 0.611 nan 8.360 nan 0.000 0.416 211 T N 0.914 115.565 114.554 0.162 0.000 2.912 211 T HA 0.390 4.740 4.350 -0.000 0.000 0.280 211 T C -1.981 172.761 174.700 0.070 0.000 0.989 211 T CA -1.696 60.485 62.100 0.135 0.000 0.995 211 T CB 1.387 70.349 68.868 0.157 0.000 1.077 211 T HN 0.235 nan 8.240 nan 0.000 0.531 212 P HA 0.039 nan 4.420 nan 0.000 0.219 212 P C 1.000 178.318 177.300 0.031 0.000 1.150 212 P CA 0.698 63.817 63.100 0.032 0.000 0.814 212 P CB 0.024 31.739 31.700 0.025 0.000 0.787 213 E N -0.926 119.296 120.200 0.036 0.000 2.478 213 E HA 0.131 4.481 4.350 -0.000 0.000 0.198 213 E C 1.220 177.832 176.600 0.021 0.000 1.046 213 E CA 0.817 57.233 56.400 0.026 0.000 0.870 213 E CB -1.050 28.666 29.700 0.027 0.000 0.818 213 E HN 0.157 nan 8.360 nan 0.000 0.527 214 G N 0.746 109.563 108.800 0.029 0.000 2.303 214 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.260 214 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.260 214 G C -0.341 174.561 174.900 0.003 0.000 1.106 214 G CA -0.254 44.859 45.100 0.022 0.000 0.900 214 G HN 0.056 nan 8.290 nan 0.000 0.495 215 Q N -0.712 119.093 119.800 0.008 0.000 2.353 215 Q HA 0.586 4.926 4.340 -0.000 0.000 0.268 215 Q C -0.048 175.922 176.000 -0.050 0.000 1.045 215 Q CA -0.733 55.053 55.803 -0.029 0.000 0.811 215 Q CB 2.705 31.428 28.738 -0.024 0.000 1.305 215 Q HN 0.283 nan 8.270 nan 0.000 0.447 216 V N 2.626 122.455 119.914 -0.142 0.000 2.383 216 V HA 0.445 4.565 4.120 -0.000 0.000 0.275 216 V C -0.045 175.916 176.094 -0.221 0.000 1.036 216 V CA -0.464 61.675 62.300 -0.268 0.000 0.889 216 V CB 1.406 32.934 31.823 -0.492 0.000 0.985 216 V HN 0.459 nan 8.190 nan 0.000 0.459 217 V N 3.662 123.452 119.914 -0.207 0.000 2.789 217 V HA 0.319 4.439 4.120 -0.000 0.000 0.311 217 V C -0.282 175.700 176.094 -0.186 0.000 1.073 217 V CA -0.625 61.476 62.300 -0.332 0.000 0.921 217 V CB 2.229 33.564 31.823 -0.812 0.000 1.009 217 V HN 0.899 nan 8.190 nan 0.000 0.426 218 C N 4.625 123.882 119.300 -0.071 0.000 2.192 218 C HA 0.340 4.799 4.460 -0.000 0.000 0.337 218 C C 1.434 176.401 174.990 -0.038 0.000 1.103 218 C CA -0.356 58.741 59.018 0.132 0.000 1.581 218 C CB -1.639 26.168 27.740 0.112 0.000 2.070 218 C HN 0.846 nan 8.230 nan 0.000 0.485 219 F N 1.169 121.164 119.950 0.075 0.000 2.407 219 F HA 0.059 4.586 4.527 -0.000 0.000 0.299 219 F C 1.225 177.035 175.800 0.017 0.000 1.097 219 F CA 0.906 58.930 58.000 0.040 0.000 1.422 219 F CB -0.047 38.974 39.000 0.036 0.000 1.067 219 F HN 0.491 nan 8.300 nan 0.000 0.539 220 D N -1.180 119.326 120.400 0.176 0.000 2.655 220 D HA 0.640 5.280 4.640 -0.000 0.000 0.229 220 D C -1.377 174.935 176.300 0.020 0.000 1.229 220 D CA -0.530 53.513 54.000 0.071 0.000 0.807 220 D CB 1.745 42.586 40.800 0.069 0.000 1.514 220 D HN -0.003 nan 8.370 nan 0.000 0.444 221 A N 1.973 124.780 122.820 -0.022 0.000 2.539 221 A HA 0.809 5.129 4.320 -0.000 0.000 0.296 221 A C -1.355 176.191 177.584 -0.065 0.000 1.073 221 A CA -0.766 51.238 52.037 -0.056 0.000 0.700 221 A CB 1.597 20.561 19.000 -0.059 0.000 1.296 221 A HN 0.393 nan 8.150 nan 0.000 0.405 222 K N 1.588 121.936 120.400 -0.087 0.000 2.637 222 K HA 0.547 4.867 4.320 -0.000 0.000 0.248 222 K C -1.617 174.907 176.600 -0.127 0.000 0.971 222 K CA 0.025 56.262 56.287 -0.084 0.000 0.858 222 K CB 1.774 34.237 32.500 -0.061 0.000 1.170 222 K HN 0.626 nan 8.250 nan 0.000 0.443 223 I N 2.243 122.710 120.570 -0.171 0.000 2.433 223 I HA 0.298 4.468 4.170 -0.000 0.000 0.292 223 I C -0.504 175.372 176.117 -0.402 0.000 1.001 223 I CA -0.838 60.255 61.300 -0.346 0.000 1.119 223 I CB 1.846 39.529 38.000 -0.528 0.000 1.289 223 I HN 0.486 nan 8.210 nan 0.000 0.438 224 N N 5.804 124.271 118.700 -0.389 0.000 2.408 224 N HA 0.515 5.255 4.740 -0.000 0.000 0.280 224 N C -1.353 173.940 175.510 -0.361 0.000 1.002 224 N CA -0.586 52.323 53.050 -0.235 0.000 0.907 224 N CB 1.532 39.962 38.487 -0.096 0.000 1.161 224 N HN 0.286 nan 8.380 nan 0.000 0.488 225 F N 0.359 120.258 119.950 -0.084 0.000 2.422 225 F HA 0.169 4.696 4.527 -0.000 0.000 0.333 225 F C 0.764 176.585 175.800 0.035 0.000 1.095 225 F CA -0.931 57.021 58.000 -0.081 0.000 1.038 225 F CB 0.884 39.740 39.000 -0.240 0.000 1.156 225 F HN 0.372 nan 8.300 nan 0.000 0.483 226 D N 2.474 123.000 120.400 0.211 0.000 2.346 226 D HA -0.012 4.628 4.640 -0.000 0.000 0.260 226 D C 0.874 177.325 176.300 0.251 0.000 1.252 226 D CA 0.325 54.417 54.000 0.154 0.000 0.895 226 D CB 0.432 41.260 40.800 0.047 0.000 1.097 226 D HN 0.438 nan 8.370 nan 0.000 0.489 227 D N 3.166 123.700 120.400 0.224 0.000 2.149 227 D HA -0.177 4.463 4.640 -0.000 0.000 0.198 227 D C 0.993 177.285 176.300 -0.013 0.000 0.990 227 D CA 0.805 54.904 54.000 0.164 0.000 0.839 227 D CB 0.172 41.050 40.800 0.130 0.000 0.948 227 D HN 0.459 nan 8.370 nan 0.000 0.460 228 N N 0.455 119.173 118.700 0.029 0.000 2.588 228 N HA -0.094 4.646 4.740 -0.000 0.000 0.190 228 N C 1.101 176.612 175.510 0.002 0.000 1.094 228 N CA 0.494 53.567 53.050 0.038 0.000 0.921 228 N CB -0.071 38.456 38.487 0.066 0.000 0.959 228 N HN 0.120 nan 8.380 nan 0.000 0.448 229 A N -0.402 122.349 122.820 -0.114 0.000 2.387 229 A HA 0.095 4.415 4.320 -0.000 0.000 0.234 229 A C 1.800 179.096 177.584 -0.480 0.000 1.253 229 A CA -0.200 51.643 52.037 -0.324 0.000 0.894 229 A CB -0.148 18.758 19.000 -0.155 0.000 0.963 229 A HN 0.247 nan 8.150 nan 0.000 0.508 230 E N 0.263 120.077 120.200 -0.644 0.000 2.097 230 E HA -0.258 4.092 4.350 -0.000 0.000 0.196 230 E C 1.531 177.869 176.600 -0.437 0.000 1.000 230 E CA 1.909 57.690 56.400 -1.030 0.000 0.804 230 E CB -0.324 28.678 29.700 -1.163 0.000 0.740 230 E HN 0.816 nan 8.360 nan 0.000 0.454 231 F N 1.199 121.004 119.950 -0.242 0.000 2.449 231 F HA -0.076 4.451 4.527 -0.000 0.000 0.299 231 F C 1.779 177.532 175.800 -0.078 0.000 1.092 231 F CA 1.088 59.007 58.000 -0.134 0.000 1.446 231 F CB -0.265 38.674 39.000 -0.101 0.000 1.084 231 F HN -0.043 nan 8.300 nan 0.000 0.567 232 R N -0.256 119.884 120.500 -0.601 0.000 2.616 232 R HA 0.295 4.635 4.340 -0.000 0.000 0.427 232 R C -0.205 175.974 176.300 -0.202 0.000 1.030 232 R CA -0.236 55.650 56.100 -0.356 0.000 1.133 232 R CB -0.075 29.912 30.300 -0.522 0.000 1.444 232 R HN 0.256 nan 8.270 nan 0.000 0.578 233 Q N 0.909 120.634 119.800 -0.125 0.000 2.248 233 Q HA 0.206 4.546 4.340 -0.000 0.000 0.324 233 Q C -0.098 175.958 176.000 0.093 0.000 0.867 233 Q CA -0.121 55.692 55.803 0.016 0.000 1.101 233 Q CB 1.532 30.363 28.738 0.155 0.000 1.328 233 Q HN 0.139 nan 8.270 nan 0.000 0.408 234 K N 0.616 121.028 120.400 0.021 0.000 2.044 234 K HA -0.178 4.142 4.320 -0.000 0.000 0.210 234 K C 1.223 177.848 176.600 0.041 0.000 1.049 234 K CA 1.858 58.166 56.287 0.034 0.000 0.927 234 K CB 0.283 32.791 32.500 0.014 0.000 0.713 234 K HN 0.177 nan 8.250 nan 0.000 0.443 235 D N 0.233 120.637 120.400 0.007 0.000 2.117 235 D HA -0.122 4.518 4.640 -0.000 0.000 0.198 235 D C 1.886 178.146 176.300 -0.067 0.000 0.982 235 D CA 1.020 55.008 54.000 -0.020 0.000 0.828 235 D CB -0.094 40.691 40.800 -0.025 0.000 0.967 235 D HN 0.205 nan 8.370 nan 0.000 0.464 236 I N -0.137 120.365 120.570 -0.112 0.000 2.394 236 I HA -0.225 3.944 4.170 -0.000 0.000 0.251 236 I C 1.768 177.625 176.117 -0.434 0.000 1.136 236 I CA 0.703 61.812 61.300 -0.318 0.000 1.425 236 I CB -0.076 37.638 38.000 -0.477 0.000 1.079 236 I HN -0.116 nan 8.210 nan 0.000 0.425 237 F N 0.439 120.232 119.950 -0.262 0.000 2.558 237 F HA 0.024 4.551 4.527 -0.000 0.000 0.298 237 F C 2.417 178.132 175.800 -0.143 0.000 1.119 237 F CA 0.761 58.631 58.000 -0.217 0.000 1.451 237 F CB -0.386 38.519 39.000 -0.160 0.000 1.091 237 F HN -0.028 nan 8.300 nan 0.000 0.563 238 A N -0.060 122.771 122.820 0.017 0.000 1.930 238 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 238 A C 2.164 179.727 177.584 -0.035 0.000 1.175 238 A CA 1.383 53.422 52.037 0.003 0.000 0.627 238 A CB -0.624 18.374 19.000 -0.002 0.000 0.815 238 A HN 0.339 nan 8.150 nan 0.000 0.443 239 M N -0.004 119.537 119.600 -0.098 0.000 2.374 239 M HA -0.066 4.414 4.480 -0.000 0.000 0.264 239 M C 0.496 176.724 176.300 -0.119 0.000 1.067 239 M CA 0.629 55.861 55.300 -0.113 0.000 1.103 239 M CB -0.538 31.957 32.600 -0.175 0.000 1.402 239 M HN 0.387 nan 8.290 nan 0.000 0.444 240 D N 1.490 121.804 120.400 -0.143 0.000 2.346 240 D HA -0.059 4.581 4.640 -0.000 0.000 0.267 240 D C 0.474 176.758 176.300 -0.027 0.000 1.320 240 D CA 0.317 54.253 54.000 -0.106 0.000 0.951 240 D CB 0.424 41.162 40.800 -0.104 0.000 1.079 240 D HN 0.038 nan 8.370 nan 0.000 0.509 241 D N 3.415 123.807 120.400 -0.012 0.000 2.178 241 D HA -0.147 4.493 4.640 -0.000 0.000 0.201 241 D C 0.611 176.927 176.300 0.026 0.000 0.980 241 D CA 0.932 54.943 54.000 0.018 0.000 0.842 241 D CB 0.100 40.924 40.800 0.039 0.000 0.948 241 D HN 0.614 nan 8.370 nan 0.000 0.472 242 K N -1.816 118.599 120.400 0.026 0.000 3.339 242 K HA -0.183 4.137 4.320 -0.000 0.000 0.299 242 K C 1.166 177.788 176.600 0.036 0.000 1.270 242 K CA 0.658 56.966 56.287 0.034 0.000 0.875 242 K CB -1.953 30.569 32.500 0.035 0.000 1.298 242 K HN 0.282 nan 8.250 nan 0.000 0.485 243 S N -0.425 115.297 115.700 0.038 0.000 2.406 243 S HA -0.067 4.403 4.470 -0.000 0.000 0.224 243 S C 1.378 176.002 174.600 0.041 0.000 1.030 243 S CA 0.565 58.789 58.200 0.041 0.000 0.958 243 S CB 0.115 63.343 63.200 0.047 0.000 0.811 243 S HN 0.396 nan 8.310 nan 0.000 0.489 244 E N 1.553 121.777 120.200 0.041 0.000 2.511 244 E HA 0.135 4.485 4.350 -0.000 0.000 0.196 244 E C -0.254 176.369 176.600 0.038 0.000 1.066 244 E CA -0.242 56.181 56.400 0.038 0.000 0.871 244 E CB -0.024 29.697 29.700 0.034 0.000 0.863 244 E HN 0.494 nan 8.360 nan 0.000 0.520 245 N N 2.036 120.762 118.700 0.043 0.000 2.508 245 N HA -0.032 4.708 4.740 -0.000 0.000 0.264 245 N C -0.047 175.498 175.510 0.059 0.000 1.216 245 N CA 0.151 53.233 53.050 0.052 0.000 0.943 245 N CB 0.751 39.273 38.487 0.060 0.000 1.113 245 N HN 0.191 nan 8.380 nan 0.000 0.447 246 E N 2.514 122.759 120.200 0.074 0.000 2.415 246 E HA -0.006 4.344 4.350 -0.000 0.000 0.263 246 E C -1.550 175.105 176.600 0.091 0.000 0.995 246 E CA -1.258 55.194 56.400 0.088 0.000 0.915 246 E CB 0.728 30.501 29.700 0.122 0.000 0.951 246 E HN 0.277 nan 8.360 nan 0.000 0.449 247 P HA -0.284 nan 4.420 nan 0.000 0.221 247 P C 1.080 178.410 177.300 0.050 0.000 1.160 247 P CA 1.656 64.787 63.100 0.052 0.000 0.933 247 P CB 0.038 31.763 31.700 0.041 0.000 0.793 248 I N -0.811 119.793 120.570 0.057 0.000 2.032 248 I HA -0.338 3.832 4.170 -0.000 0.000 0.228 248 I C 2.466 178.596 176.117 0.022 0.000 1.030 248 I CA 1.912 63.210 61.300 -0.004 0.000 1.318 248 I CB -1.124 36.835 38.000 -0.067 0.000 1.049 248 I HN 0.067 nan 8.210 nan 0.000 0.387 249 E N 1.265 121.571 120.200 0.178 0.000 2.348 249 E HA -0.378 3.972 4.350 -0.000 0.000 0.234 249 E C 1.854 178.530 176.600 0.127 0.000 1.110 249 E CA 2.400 58.966 56.400 0.278 0.000 0.987 249 E CB -0.227 29.679 29.700 0.344 0.000 0.834 249 E HN 0.465 nan 8.360 nan 0.000 0.468 250 N N 0.373 119.123 118.700 0.085 0.000 2.060 250 N HA -0.245 4.495 4.740 -0.000 0.000 0.195 250 N C 1.821 177.337 175.510 0.010 0.000 1.028 250 N CA 1.741 54.817 53.050 0.044 0.000 0.861 250 N CB -0.535 37.971 38.487 0.032 0.000 1.029 250 N HN 0.324 nan 8.380 nan 0.000 0.428 251 E N 1.170 121.373 120.200 0.005 0.000 2.023 251 E HA -0.098 4.252 4.350 -0.000 0.000 0.196 251 E C 1.935 178.543 176.600 0.012 0.000 1.003 251 E CA 1.635 58.031 56.400 -0.007 0.000 0.809 251 E CB -0.529 29.181 29.700 0.018 0.000 0.755 251 E HN 0.312 nan 8.360 nan 0.000 0.449 252 A N 1.021 123.874 122.820 0.055 0.000 1.884 252 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 252 A C 2.500 180.149 177.584 0.108 0.000 1.197 252 A CA 2.848 54.961 52.037 0.126 0.000 0.637 252 A CB -1.428 17.639 19.000 0.111 0.000 0.827 252 A HN 0.459 nan 8.150 nan 0.000 0.450 253 A N -0.457 122.401 122.820 0.065 0.000 2.084 253 A HA -0.191 4.129 4.320 -0.000 0.000 0.221 253 A C 1.956 179.510 177.584 -0.051 0.000 1.161 253 A CA 1.868 53.926 52.037 0.035 0.000 0.653 253 A CB -0.499 18.525 19.000 0.040 0.000 0.802 253 A HN 0.645 nan 8.150 nan 0.000 0.457 254 K N -1.883 118.409 120.400 -0.180 0.000 2.365 254 K HA -0.071 4.249 4.320 -0.000 0.000 0.199 254 K C 0.069 176.345 176.600 -0.540 0.000 1.045 254 K CA 1.083 57.124 56.287 -0.409 0.000 0.962 254 K CB -0.095 32.031 32.500 -0.624 0.000 0.759 254 K HN 0.699 nan 8.250 nan 0.000 0.469 255 Y N 0.283 120.600 120.300 0.029 0.000 2.682 255 Y HA 0.132 4.682 4.550 -0.000 0.000 0.251 255 Y C -0.367 175.555 175.900 0.036 0.000 1.172 255 Y CA -1.192 56.928 58.100 0.033 0.000 1.186 255 Y CB 0.226 38.706 38.460 0.033 0.000 1.216 255 Y HN 0.032 nan 8.280 nan 0.000 0.540 256 D N 1.714 122.179 120.400 0.109 0.000 2.812 256 D HA -0.196 4.444 4.640 -0.000 0.000 0.237 256 D C -1.123 175.249 176.300 0.119 0.000 1.162 256 D CA 0.652 54.707 54.000 0.093 0.000 0.740 256 D CB -0.643 40.200 40.800 0.073 0.000 1.000 256 D HN 0.368 nan 8.370 nan 0.000 0.416 257 L N 2.200 123.506 121.223 0.139 0.000 2.349 257 L HA 0.328 4.668 4.340 -0.000 0.000 0.278 257 L C 0.689 177.662 176.870 0.172 0.000 0.996 257 L CA -0.878 54.051 54.840 0.148 0.000 0.825 257 L CB 1.738 43.894 42.059 0.161 0.000 1.243 257 L HN -0.123 nan 8.230 nan 0.000 0.412 258 K N 3.768 124.263 120.400 0.159 0.000 2.166 258 K HA 0.127 4.447 4.320 -0.000 0.000 0.273 258 K C -0.967 175.815 176.600 0.303 0.000 1.095 258 K CA -0.048 56.366 56.287 0.211 0.000 0.985 258 K CB -0.019 32.599 32.500 0.195 0.000 1.172 258 K HN 0.267 nan 8.250 nan 0.000 0.401 259 Y N 3.388 123.796 120.300 0.181 0.000 2.361 259 Y HA 0.373 4.923 4.550 -0.000 0.000 0.332 259 Y C -0.518 175.515 175.900 0.222 0.000 1.101 259 Y CA -1.423 56.796 58.100 0.199 0.000 1.137 259 Y CB 0.926 39.458 38.460 0.120 0.000 1.207 259 Y HN 0.298 nan 8.280 nan 0.000 0.463 260 I N 5.628 125.827 120.570 -0.619 0.000 2.576 260 I HA 0.206 4.375 4.170 -0.000 0.000 0.279 260 I C 0.096 175.756 176.117 -0.762 0.000 1.114 260 I CA -0.508 60.485 61.300 -0.511 0.000 1.076 260 I CB 1.007 38.814 38.000 -0.322 0.000 1.212 260 I HN 0.865 nan 8.210 nan 0.000 0.472 261 G N 6.486 114.823 108.800 -0.772 0.000 2.361 261 G HA2 0.478 4.438 3.960 -0.000 0.000 0.260 261 G HA3 0.478 4.438 3.960 -0.000 0.000 0.260 261 G C 0.216 175.042 174.900 -0.123 0.000 1.261 261 G CA -0.092 44.807 45.100 -0.335 0.000 0.897 261 G HN 0.463 nan 8.290 nan 0.000 0.499 262 L N 1.428 122.621 121.223 -0.050 0.000 2.902 262 L HA 0.522 4.862 4.340 -0.000 0.000 0.229 262 L C 0.103 176.990 176.870 0.028 0.000 1.324 262 L CA -0.981 53.849 54.840 -0.017 0.000 1.230 262 L CB 0.794 42.853 42.059 -0.000 0.000 2.134 262 L HN 0.542 nan 8.230 nan 0.000 0.567 263 D N 0.042 120.465 120.400 0.038 0.000 2.434 263 D HA 0.470 5.110 4.640 -0.000 0.000 0.275 263 D C -0.416 175.924 176.300 0.066 0.000 1.172 263 D CA -0.158 53.873 54.000 0.050 0.000 0.916 263 D CB 1.210 42.035 40.800 0.041 0.000 1.041 263 D HN 0.575 nan 8.370 nan 0.000 0.501 264 G N 1.084 109.928 108.800 0.074 0.000 2.721 264 G HA2 0.358 4.318 3.960 -0.000 0.000 0.296 264 G HA3 0.358 4.318 3.960 -0.000 0.000 0.296 264 G C 0.156 175.101 174.900 0.074 0.000 1.383 264 G CA -0.821 44.327 45.100 0.079 0.000 0.788 264 G HN 0.273 nan 8.290 nan 0.000 0.500 265 N N -1.434 117.307 118.700 0.069 0.000 2.463 265 N HA 0.120 4.860 4.740 -0.000 0.000 0.183 265 N C 0.687 176.237 175.510 0.067 0.000 1.064 265 N CA 0.238 53.324 53.050 0.061 0.000 0.879 265 N CB 0.301 38.816 38.487 0.047 0.000 1.148 265 N HN 0.380 nan 8.380 nan 0.000 0.451 266 I N 1.786 122.400 120.570 0.074 0.000 2.243 266 I HA 0.339 4.509 4.170 -0.000 0.000 0.297 266 I C 0.453 176.628 176.117 0.097 0.000 1.161 266 I CA -0.808 60.539 61.300 0.079 0.000 1.298 266 I CB -0.125 37.920 38.000 0.076 0.000 1.475 266 I HN 0.179 nan 8.210 nan 0.000 0.561 267 A N 5.711 128.590 122.820 0.098 0.000 2.433 267 A HA 0.392 4.712 4.320 -0.000 0.000 0.250 267 A C 0.254 177.912 177.584 0.124 0.000 1.113 267 A CA -0.029 52.079 52.037 0.117 0.000 0.794 267 A CB 0.257 19.313 19.000 0.092 0.000 1.067 267 A HN 0.982 nan 8.150 nan 0.000 0.510 268 C N -1.422 117.966 119.300 0.146 0.000 3.198 268 C HA 0.550 5.010 4.460 -0.000 0.000 0.438 268 C C -1.129 173.983 174.990 0.203 0.000 0.952 268 C CA -0.965 58.153 59.018 0.166 0.000 1.216 268 C CB -0.497 27.316 27.740 0.120 0.000 1.594 268 C HN 1.596 nan 8.230 nan 0.000 0.598 269 F N 2.941 122.831 119.950 -0.100 0.000 2.482 269 F HA 0.948 5.475 4.527 -0.000 0.000 0.331 269 F C -1.009 174.702 175.800 -0.147 0.000 1.115 269 F CA -1.776 56.134 58.000 -0.150 0.000 0.955 269 F CB 1.019 39.889 39.000 -0.215 0.000 1.136 269 F HN 0.612 nan 8.300 nan 0.000 0.452 270 V N 3.902 123.624 119.914 -0.321 0.000 3.001 270 V HA 0.483 4.603 4.120 -0.000 0.000 0.314 270 V C -0.697 175.207 176.094 -0.316 0.000 1.099 270 V CA -1.029 61.059 62.300 -0.353 0.000 0.989 270 V CB 2.214 33.906 31.823 -0.219 0.000 1.040 270 V HN 0.944 nan 8.190 nan 0.000 0.434 271 N N 1.281 119.834 118.700 -0.246 0.000 2.492 271 N HA 0.633 5.373 4.740 -0.000 0.000 0.289 271 N C 0.049 175.492 175.510 -0.113 0.000 1.133 271 N CA 0.373 53.327 53.050 -0.161 0.000 0.961 271 N CB 1.744 40.160 38.487 -0.118 0.000 1.186 271 N HN 1.417 nan 8.380 nan 0.000 0.493 272 G N -1.074 107.676 108.800 -0.083 0.000 2.981 272 G HA2 0.125 4.085 3.960 -0.000 0.000 0.686 272 G HA3 0.125 4.085 3.960 -0.000 0.000 0.686 272 G C 0.726 175.586 174.900 -0.067 0.000 1.068 272 G CA -0.039 45.026 45.100 -0.058 0.000 0.806 272 G HN 0.991 nan 8.290 nan 0.000 0.568 273 A N 2.021 124.833 122.820 -0.013 0.000 1.858 273 A HA 0.216 4.536 4.320 -0.000 0.000 0.216 273 A C 2.924 180.558 177.584 0.083 0.000 1.190 273 A CA 2.754 54.825 52.037 0.056 0.000 0.617 273 A CB -0.970 18.098 19.000 0.113 0.000 0.827 273 A HN 2.391 nan 8.150 nan 0.000 0.443 274 G N -0.469 108.359 108.800 0.045 0.000 2.440 274 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.218 274 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.218 274 G C 1.460 176.381 174.900 0.034 0.000 1.154 274 G CA 1.226 46.353 45.100 0.044 0.000 0.767 274 G HN 0.425 nan 8.290 nan 0.000 0.552 275 L N 1.339 122.559 121.223 -0.005 0.000 2.131 275 L HA 0.164 4.504 4.340 -0.000 0.000 0.210 275 L C 3.074 179.930 176.870 -0.023 0.000 1.092 275 L CA 1.718 56.552 54.840 -0.010 0.000 0.759 275 L CB -0.750 41.296 42.059 -0.022 0.000 0.903 275 L HN 0.264 nan 8.230 nan 0.000 0.435 276 A N -0.817 121.955 122.820 -0.080 0.000 1.858 276 A HA -0.259 4.061 4.320 -0.000 0.000 0.216 276 A C 2.292 179.937 177.584 0.102 0.000 1.190 276 A CA 2.221 54.137 52.037 -0.202 0.000 0.617 276 A CB -0.527 18.020 19.000 -0.754 0.000 0.827 276 A HN 0.458 nan 8.150 nan 0.000 0.443 277 M N -0.630 119.134 119.600 0.274 0.000 2.117 277 M HA -0.160 4.320 4.480 -0.000 0.000 0.262 277 M C 2.561 178.939 176.300 0.131 0.000 1.065 277 M CA 1.413 56.869 55.300 0.261 0.000 1.114 277 M CB -0.491 32.215 32.600 0.178 0.000 1.361 277 M HN 0.506 nan 8.290 nan 0.000 0.408 278 A N -0.053 122.819 122.820 0.087 0.000 1.908 278 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 278 A C 2.185 179.809 177.584 0.067 0.000 1.181 278 A CA 2.400 54.474 52.037 0.061 0.000 0.627 278 A CB -1.203 17.822 19.000 0.042 0.000 0.818 278 A HN 0.468 nan 8.150 nan 0.000 0.445 279 T N -0.862 113.730 114.554 0.063 0.000 2.777 279 T HA -0.169 4.181 4.350 -0.000 0.000 0.266 279 T C 1.926 176.682 174.700 0.092 0.000 1.040 279 T CA 1.480 63.618 62.100 0.064 0.000 1.141 279 T CB -0.661 68.230 68.868 0.039 0.000 0.868 279 T HN 0.596 nan 8.240 nan 0.000 0.444 280 C N 1.492 120.862 119.300 0.115 0.000 2.413 280 C HA -0.113 4.347 4.460 -0.000 0.000 0.277 280 C C 2.541 177.609 174.990 0.130 0.000 1.228 280 C CA 0.558 59.653 59.018 0.129 0.000 1.731 280 C CB -1.107 26.711 27.740 0.131 0.000 2.042 280 C HN 0.566 nan 8.230 nan 0.000 0.468 281 D N 0.582 121.043 120.400 0.102 0.000 2.182 281 D HA -0.186 4.453 4.640 -0.000 0.000 0.193 281 D C 1.786 178.174 176.300 0.146 0.000 0.999 281 D CA 1.362 55.424 54.000 0.105 0.000 0.850 281 D CB -0.711 40.130 40.800 0.068 0.000 0.994 281 D HN 0.478 nan 8.370 nan 0.000 0.450 282 I N 0.234 120.867 120.570 0.106 0.000 2.623 282 I HA -0.241 3.929 4.170 -0.000 0.000 0.261 282 I C 1.839 178.015 176.117 0.098 0.000 1.204 282 I CA 0.896 62.252 61.300 0.093 0.000 1.444 282 I CB 0.059 38.099 38.000 0.068 0.000 1.094 282 I HN 0.053 nan 8.210 nan 0.000 0.451 283 I N -0.466 120.177 120.570 0.120 0.000 2.339 283 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 283 I C 2.232 178.424 176.117 0.125 0.000 1.096 283 I CA 1.023 62.389 61.300 0.110 0.000 1.408 283 I CB -0.365 37.706 38.000 0.118 0.000 1.092 283 I HN 0.198 nan 8.210 nan 0.000 0.423 284 F N 2.026 121.994 119.950 0.030 0.000 2.126 284 F HA -0.219 4.308 4.527 -0.000 0.000 0.299 284 F C 2.182 177.994 175.800 0.020 0.000 1.096 284 F CA 1.663 59.677 58.000 0.024 0.000 1.255 284 F CB -0.206 38.807 39.000 0.022 0.000 0.997 284 F HN -0.095 nan 8.300 nan 0.000 0.479 285 L N -0.267 121.056 121.223 0.167 0.000 2.127 285 L HA -0.219 4.121 4.340 -0.000 0.000 0.211 285 L C 0.977 177.824 176.870 -0.037 0.000 1.089 285 L CA 1.134 56.017 54.840 0.071 0.000 0.757 285 L CB -0.897 41.224 42.059 0.104 0.000 0.899 285 L HN 0.113 nan 8.230 nan 0.000 0.434 286 N N 0.698 119.380 118.700 -0.029 0.000 2.575 286 N HA 0.126 4.866 4.740 -0.000 0.000 0.275 286 N C 1.114 176.576 175.510 -0.081 0.000 1.202 286 N CA 0.771 53.797 53.050 -0.040 0.000 0.945 286 N CB 0.787 39.271 38.487 -0.005 0.000 1.247 286 N HN 0.407 nan 8.380 nan 0.000 0.510 287 G N -0.088 108.610 108.800 -0.169 0.000 2.180 287 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.263 287 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.263 287 G C 0.637 175.448 174.900 -0.147 0.000 0.989 287 G CA 0.394 45.377 45.100 -0.194 0.000 0.692 287 G HN 0.562 nan 8.290 nan 0.000 0.526 288 G N -1.137 107.601 108.800 -0.103 0.000 2.616 288 G HA2 0.523 4.483 3.960 -0.000 0.000 0.268 288 G HA3 0.523 4.483 3.960 -0.000 0.000 0.268 288 G C 0.176 175.086 174.900 0.016 0.000 1.213 288 G CA -0.328 44.762 45.100 -0.017 0.000 0.926 288 G HN 0.211 nan 8.290 nan 0.000 0.523 289 K N 1.684 122.126 120.400 0.071 0.000 3.146 289 K HA 0.249 4.569 4.320 -0.000 0.000 0.168 289 K C -2.579 174.096 176.600 0.125 0.000 1.075 289 K CA -1.634 54.722 56.287 0.115 0.000 0.843 289 K CB 1.505 34.051 32.500 0.076 0.000 1.002 289 K HN 0.322 nan 8.250 nan 0.000 0.597 290 P HA -0.166 nan 4.420 nan 0.000 0.257 290 P C 0.527 177.893 177.300 0.111 0.000 1.144 290 P CA 0.476 63.653 63.100 0.129 0.000 0.761 290 P CB 0.596 32.379 31.700 0.138 0.000 0.734 291 A N 3.445 126.332 122.820 0.112 0.000 2.169 291 A HA -0.023 4.297 4.320 -0.000 0.000 0.212 291 A C 1.128 178.788 177.584 0.127 0.000 1.153 291 A CA 1.043 53.148 52.037 0.114 0.000 0.756 291 A CB -0.393 18.677 19.000 0.117 0.000 0.813 291 A HN 0.795 nan 8.150 nan 0.000 0.471 292 N N -2.813 115.962 118.700 0.124 0.000 3.587 292 N HA 0.276 5.016 4.740 -0.000 0.000 0.368 292 N C -1.100 174.508 175.510 0.163 0.000 1.440 292 N CA 0.083 53.183 53.050 0.084 0.000 0.808 292 N CB 0.417 39.015 38.487 0.184 0.000 2.556 292 N HN 0.493 nan 8.380 nan 0.000 0.490 293 F N 0.576 120.479 119.950 -0.079 0.000 2.660 293 F HA 0.696 5.223 4.527 -0.000 0.000 0.320 293 F C -2.452 173.355 175.800 0.011 0.000 1.099 293 F CA -0.747 57.234 58.000 -0.032 0.000 1.061 293 F CB 0.600 39.552 39.000 -0.080 0.000 1.300 293 F HN 0.639 nan 8.300 nan 0.000 0.479 294 L N 4.772 125.816 121.223 -0.299 0.000 2.434 294 L HA 0.648 4.987 4.340 -0.000 0.000 0.260 294 L C -2.029 174.615 176.870 -0.376 0.000 0.983 294 L CA -0.514 54.262 54.840 -0.106 0.000 0.820 294 L CB 2.049 44.225 42.059 0.195 0.000 1.361 294 L HN 0.764 nan 8.230 nan 0.000 0.410 295 D N 3.505 123.782 120.400 -0.205 0.000 2.575 295 D HA 0.269 4.909 4.640 -0.000 0.000 0.250 295 D C 0.016 176.290 176.300 -0.044 0.000 1.279 295 D CA -0.303 53.581 54.000 -0.193 0.000 0.925 295 D CB 1.532 42.214 40.800 -0.196 0.000 1.261 295 D HN 0.471 nan 8.370 nan 0.000 0.567 296 L N 3.547 124.738 121.223 -0.054 0.000 2.855 296 L HA 0.231 4.571 4.340 -0.000 0.000 0.257 296 L C 1.715 178.586 176.870 0.002 0.000 1.206 296 L CA 0.117 54.956 54.840 -0.003 0.000 1.042 296 L CB -1.316 40.719 42.059 -0.039 0.000 1.321 296 L HN 0.658 nan 8.230 nan 0.000 0.417 297 G N 0.641 109.444 108.800 0.006 0.000 2.578 297 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.313 297 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.313 297 G C 0.874 175.776 174.900 0.003 0.000 1.324 297 G CA 0.012 45.121 45.100 0.015 0.000 0.955 297 G HN 0.453 nan 8.290 nan 0.000 0.541 298 G N 0.007 108.813 108.800 0.011 0.000 2.879 298 G HA2 0.430 4.390 3.960 -0.000 0.000 0.200 298 G HA3 0.430 4.390 3.960 -0.000 0.000 0.200 298 G C 1.150 176.053 174.900 0.005 0.000 1.437 298 G CA 1.557 46.661 45.100 0.006 0.000 0.835 298 G HN 1.848 nan 8.290 nan 0.000 0.640 299 G N -1.367 107.440 108.800 0.011 0.000 2.502 299 G HA2 0.546 4.506 3.960 -0.000 0.000 0.305 299 G HA3 0.546 4.506 3.960 -0.000 0.000 0.305 299 G C -0.203 174.709 174.900 0.019 0.000 1.190 299 G CA 0.324 45.432 45.100 0.013 0.000 0.933 299 G HN 1.139 nan 8.290 nan 0.000 0.503 300 V N -1.899 118.027 119.914 0.020 0.000 3.345 300 V HA 0.977 5.097 4.120 -0.000 0.000 0.308 300 V C -0.372 175.747 176.094 0.042 0.000 1.168 300 V CA -1.106 61.214 62.300 0.033 0.000 1.024 300 V CB 1.810 33.649 31.823 0.027 0.000 1.211 300 V HN 0.922 nan 8.190 nan 0.000 0.461 301 K N -0.556 119.878 120.400 0.057 0.000 2.594 301 K HA 0.254 4.573 4.320 -0.000 0.000 0.262 301 K C 0.531 177.173 176.600 0.071 0.000 0.954 301 K CA -0.254 56.066 56.287 0.055 0.000 0.917 301 K CB 1.704 34.234 32.500 0.050 0.000 1.343 301 K HN 0.841 nan 8.250 nan 0.000 0.428 302 E N 0.601 120.842 120.200 0.069 0.000 2.271 302 E HA -0.285 4.065 4.350 -0.000 0.000 0.209 302 E C 0.945 177.605 176.600 0.099 0.000 1.046 302 E CA 2.143 58.596 56.400 0.088 0.000 0.840 302 E CB 0.027 29.760 29.700 0.055 0.000 0.738 302 E HN 0.554 nan 8.360 nan 0.000 0.470 303 S N 0.979 116.717 115.700 0.064 0.000 2.363 303 S HA -0.251 4.219 4.470 -0.000 0.000 0.218 303 S C 1.922 176.544 174.600 0.036 0.000 1.035 303 S CA 1.273 59.501 58.200 0.047 0.000 1.043 303 S CB -0.409 62.813 63.200 0.038 0.000 0.986 303 S HN 0.295 nan 8.310 nan 0.000 0.423 304 Q N 0.478 120.299 119.800 0.034 0.000 2.047 304 Q HA -0.183 4.157 4.340 -0.000 0.000 0.211 304 Q C 2.315 178.334 176.000 0.033 0.000 1.005 304 Q CA 2.021 57.838 55.803 0.023 0.000 0.866 304 Q CB -0.853 27.930 28.738 0.074 0.000 0.938 304 Q HN 0.355 nan 8.270 nan 0.000 0.414 305 V N 0.310 120.301 119.914 0.129 0.000 2.218 305 V HA -0.363 3.757 4.120 -0.000 0.000 0.251 305 V C 1.953 178.140 176.094 0.156 0.000 1.057 305 V CA 2.473 64.896 62.300 0.206 0.000 1.022 305 V CB -1.019 30.987 31.823 0.305 0.000 0.645 305 V HN 0.436 nan 8.190 nan 0.000 0.451 306 Y N 0.928 121.294 120.300 0.110 0.000 2.053 306 Y HA -0.315 4.235 4.550 -0.000 0.000 0.277 306 Y C 2.797 178.668 175.900 -0.047 0.000 1.159 306 Y CA 2.328 60.473 58.100 0.075 0.000 1.125 306 Y CB -0.596 37.856 38.460 -0.012 0.000 0.969 306 Y HN 0.232 nan 8.280 nan 0.000 0.492 307 Q N 0.438 120.100 119.800 -0.229 0.000 2.062 307 Q HA -0.276 4.064 4.340 -0.000 0.000 0.209 307 Q C 2.587 178.335 176.000 -0.420 0.000 0.996 307 Q CA 1.928 57.442 55.803 -0.482 0.000 0.859 307 Q CB -1.261 27.023 28.738 -0.757 0.000 0.920 307 Q HN 0.675 nan 8.270 nan 0.000 0.415 308 A N -0.076 122.540 122.820 -0.340 0.000 1.940 308 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 308 A C 1.885 179.097 177.584 -0.620 0.000 1.176 308 A CA 1.330 53.108 52.037 -0.431 0.000 0.631 308 A CB -0.734 17.999 19.000 -0.444 0.000 0.814 308 A HN 0.285 nan 8.150 nan 0.000 0.446 309 F N -0.228 119.370 119.950 -0.587 0.000 2.407 309 F HA 0.024 4.551 4.527 -0.000 0.000 0.299 309 F C 2.194 177.711 175.800 -0.471 0.000 1.097 309 F CA 1.450 59.124 58.000 -0.545 0.000 1.422 309 F CB -0.027 38.706 39.000 -0.446 0.000 1.067 309 F HN 0.227 nan 8.300 nan 0.000 0.539 310 K N 0.618 120.780 120.400 -0.396 0.000 2.076 310 K HA -0.081 4.239 4.320 -0.000 0.000 0.204 310 K C 1.945 178.407 176.600 -0.230 0.000 1.051 310 K CA 1.040 57.104 56.287 -0.371 0.000 0.949 310 K CB -0.125 32.066 32.500 -0.514 0.000 0.726 310 K HN 0.238 nan 8.250 nan 0.000 0.443 311 L N 0.871 121.948 121.223 -0.243 0.000 1.994 311 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 311 L C 2.492 179.227 176.870 -0.225 0.000 1.071 311 L CA 1.079 55.786 54.840 -0.222 0.000 0.745 311 L CB -0.796 41.097 42.059 -0.277 0.000 0.892 311 L HN 0.116 nan 8.230 nan 0.000 0.431 312 L N 0.210 121.288 121.223 -0.242 0.000 2.079 312 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 312 L C 2.895 179.714 176.870 -0.084 0.000 1.081 312 L CA 2.053 56.795 54.840 -0.164 0.000 0.752 312 L CB -0.941 41.006 42.059 -0.187 0.000 0.896 312 L HN 0.535 nan 8.230 nan 0.000 0.433 313 T N -3.443 111.062 114.554 -0.082 0.000 2.937 313 T HA 0.037 4.386 4.350 -0.000 0.000 0.260 313 T C 1.966 176.639 174.700 -0.045 0.000 1.051 313 T CA 0.573 62.645 62.100 -0.047 0.000 1.141 313 T CB -0.352 68.487 68.868 -0.048 0.000 0.879 313 T HN 0.268 nan 8.240 nan 0.000 0.459 314 A N 2.048 124.830 122.820 -0.064 0.000 2.084 314 A HA -0.104 4.216 4.320 -0.000 0.000 0.221 314 A C 1.379 178.947 177.584 -0.028 0.000 1.161 314 A CA 1.318 53.328 52.037 -0.045 0.000 0.653 314 A CB -0.890 18.078 19.000 -0.054 0.000 0.802 314 A HN 0.615 nan 8.150 nan 0.000 0.457 315 D N 0.050 120.432 120.400 -0.030 0.000 2.339 315 D HA 0.118 4.758 4.640 -0.000 0.000 0.256 315 D C -1.704 174.601 176.300 0.008 0.000 1.214 315 D CA -1.562 52.436 54.000 -0.003 0.000 0.877 315 D CB 1.122 41.927 40.800 0.008 0.000 1.111 315 D HN 0.179 nan 8.370 nan 0.000 0.478 316 P HA -0.018 nan 4.420 nan 0.000 0.245 316 P C 0.829 178.143 177.300 0.023 0.000 1.212 316 P CA 0.320 63.429 63.100 0.015 0.000 0.774 316 P CB 0.334 32.043 31.700 0.014 0.000 0.999 317 K N 0.125 120.545 120.400 0.032 0.000 2.379 317 K HA 0.112 4.432 4.320 -0.000 0.000 0.194 317 K C 0.247 176.873 176.600 0.043 0.000 1.031 317 K CA 0.114 56.425 56.287 0.039 0.000 1.037 317 K CB 0.304 32.833 32.500 0.049 0.000 0.824 317 K HN -0.065 nan 8.250 nan 0.000 0.516 318 V N 2.146 122.084 119.914 0.041 0.000 2.530 318 V HA 0.062 4.182 4.120 -0.000 0.000 0.282 318 V C 0.414 176.530 176.094 0.036 0.000 1.048 318 V CA 0.228 62.554 62.300 0.044 0.000 0.997 318 V CB 1.365 33.213 31.823 0.042 0.000 0.987 318 V HN 0.245 nan 8.190 nan 0.000 0.477 319 E N 2.790 123.013 120.200 0.040 0.000 2.660 319 E HA 0.599 4.949 4.350 -0.000 0.000 0.216 319 E C -0.009 176.614 176.600 0.037 0.000 0.986 319 E CA 0.239 56.659 56.400 0.033 0.000 1.037 319 E CB 1.285 31.003 29.700 0.030 0.000 1.041 319 E HN 0.834 nan 8.360 nan 0.000 0.480 320 A N 0.828 123.677 122.820 0.048 0.000 2.549 320 A HA 0.502 4.822 4.320 -0.000 0.000 0.297 320 A C -1.838 175.792 177.584 0.078 0.000 0.983 320 A CA -0.750 51.321 52.037 0.058 0.000 0.654 320 A CB 0.598 19.630 19.000 0.054 0.000 1.319 320 A HN 0.105 nan 8.150 nan 0.000 0.428 321 I N 0.845 121.475 120.570 0.100 0.000 2.545 321 I HA 0.535 4.704 4.170 -0.000 0.000 0.292 321 I C -0.772 175.436 176.117 0.151 0.000 1.040 321 I CA -0.572 60.808 61.300 0.135 0.000 1.068 321 I CB 2.054 40.169 38.000 0.191 0.000 1.251 321 I HN 0.612 nan 8.210 nan 0.000 0.424 322 L N 7.174 128.489 121.223 0.154 0.000 2.318 322 L HA 0.525 4.865 4.340 -0.000 0.000 0.277 322 L C -1.036 175.931 176.870 0.161 0.000 1.008 322 L CA -0.642 54.279 54.840 0.135 0.000 0.846 322 L CB 1.250 43.366 42.059 0.096 0.000 1.220 322 L HN 0.313 nan 8.230 nan 0.000 0.423 323 V N 3.984 124.007 119.914 0.181 0.000 2.432 323 V HA 0.349 4.469 4.120 -0.000 0.000 0.275 323 V C -0.105 175.979 176.094 -0.017 0.000 1.043 323 V CA -0.464 61.904 62.300 0.114 0.000 0.925 323 V CB 1.360 33.329 31.823 0.244 0.000 0.985 323 V HN 0.733 nan 8.190 nan 0.000 0.466 324 N N 5.374 123.997 118.700 -0.128 0.000 2.549 324 N HA 0.520 5.260 4.740 -0.000 0.000 0.281 324 N C -1.395 174.022 175.510 -0.155 0.000 1.084 324 N CA -0.286 52.709 53.050 -0.092 0.000 0.862 324 N CB 0.997 39.459 38.487 -0.041 0.000 1.333 324 N HN 0.619 nan 8.380 nan 0.000 0.523 325 I N 2.085 122.574 120.570 -0.135 0.000 2.647 325 I HA 0.416 4.586 4.170 -0.000 0.000 0.295 325 I C -1.142 174.944 176.117 -0.051 0.000 1.078 325 I CA -1.010 60.215 61.300 -0.124 0.000 1.048 325 I CB 1.975 39.859 38.000 -0.194 0.000 1.239 325 I HN 0.356 nan 8.210 nan 0.000 0.421 326 F N 4.123 124.020 119.950 -0.089 0.000 2.308 326 F HA 0.513 5.040 4.527 -0.000 0.000 0.370 326 F C 0.820 176.593 175.800 -0.046 0.000 1.100 326 F CA -0.830 57.137 58.000 -0.055 0.000 1.108 326 F CB 1.226 40.198 39.000 -0.046 0.000 1.293 326 F HN 0.434 nan 8.300 nan 0.000 0.478 327 G N 3.749 112.508 108.800 -0.070 0.000 2.404 327 G HA2 0.372 4.332 3.960 -0.000 0.000 0.289 327 G HA3 0.372 4.332 3.960 -0.000 0.000 0.289 327 G C 0.493 175.486 174.900 0.156 0.000 1.074 327 G CA 0.289 45.399 45.100 0.016 0.000 1.210 327 G HN 0.931 nan 8.290 nan 0.000 0.434 328 G N 2.339 111.249 108.800 0.183 0.000 2.508 328 G HA2 0.140 4.100 3.960 -0.000 0.000 0.217 328 G HA3 0.140 4.100 3.960 -0.000 0.000 0.217 328 G C 1.467 176.416 174.900 0.081 0.000 2.004 328 G CA 0.330 45.529 45.100 0.165 0.000 0.750 328 G HN 0.555 nan 8.290 nan 0.000 0.730 329 I N 0.571 121.174 120.570 0.055 0.000 2.039 329 I HA -0.068 4.102 4.170 -0.000 0.000 0.233 329 I C 1.134 177.269 176.117 0.030 0.000 1.040 329 I CA 1.202 62.522 61.300 0.034 0.000 1.308 329 I CB -0.114 37.900 38.000 0.023 0.000 1.035 329 I HN 0.064 nan 8.210 nan 0.000 0.392 330 V N 3.674 123.605 119.914 0.028 0.000 2.405 330 V HA 0.089 4.209 4.120 -0.000 0.000 0.264 330 V C -0.071 176.034 176.094 0.019 0.000 1.048 330 V CA -0.501 61.811 62.300 0.021 0.000 0.966 330 V CB -0.422 31.411 31.823 0.018 0.000 1.015 330 V HN 0.723 nan 8.190 nan 0.000 0.477 331 N N 4.771 123.480 118.700 0.015 0.000 2.239 331 N HA -0.067 4.673 4.740 -0.000 0.000 0.225 331 N C 0.972 176.478 175.510 -0.006 0.000 1.283 331 N CA 0.811 53.864 53.050 0.006 0.000 0.868 331 N CB 0.041 38.532 38.487 0.006 0.000 1.098 331 N HN 0.539 nan 8.380 nan 0.000 0.436 332 C N -0.503 118.782 119.300 -0.025 0.000 2.419 332 C HA -0.027 4.433 4.460 -0.000 0.000 0.281 332 C C 2.716 177.695 174.990 -0.019 0.000 1.336 332 C CA 0.938 59.934 59.018 -0.037 0.000 1.770 332 C CB -1.989 25.711 27.740 -0.066 0.000 1.929 332 C HN 0.886 nan 8.230 nan 0.000 0.509 333 A N 1.112 123.924 122.820 -0.013 0.000 1.851 333 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 333 A C 1.956 179.544 177.584 0.006 0.000 1.195 333 A CA 1.696 53.728 52.037 -0.007 0.000 0.622 333 A CB -0.596 18.400 19.000 -0.006 0.000 0.831 333 A HN 0.450 nan 8.150 nan 0.000 0.444 334 I N 0.477 121.053 120.570 0.010 0.000 2.423 334 I HA -0.225 3.945 4.170 -0.000 0.000 0.254 334 I C 2.217 178.355 176.117 0.035 0.000 1.151 334 I CA 1.173 62.485 61.300 0.021 0.000 1.421 334 I CB -1.019 36.993 38.000 0.020 0.000 1.079 334 I HN 0.321 nan 8.210 nan 0.000 0.431 335 I N 0.645 121.233 120.570 0.030 0.000 2.333 335 I HA -0.136 4.034 4.170 -0.000 0.000 0.246 335 I C 2.796 178.959 176.117 0.076 0.000 1.106 335 I CA 1.188 62.517 61.300 0.048 0.000 1.411 335 I CB -1.382 36.624 38.000 0.011 0.000 1.082 335 I HN 0.085 nan 8.210 nan 0.000 0.420 336 A N 1.670 124.518 122.820 0.045 0.000 1.908 336 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 336 A C 2.119 179.735 177.584 0.053 0.000 1.181 336 A CA 2.233 54.298 52.037 0.046 0.000 0.627 336 A CB -1.181 17.824 19.000 0.010 0.000 0.818 336 A HN 0.530 nan 8.150 nan 0.000 0.445 337 N N -0.434 118.290 118.700 0.041 0.000 2.025 337 N HA -0.119 4.621 4.740 -0.000 0.000 0.194 337 N C 1.926 177.473 175.510 0.062 0.000 1.044 337 N CA 1.003 54.074 53.050 0.035 0.000 0.851 337 N CB -0.454 38.048 38.487 0.025 0.000 1.036 337 N HN 0.483 nan 8.380 nan 0.000 0.422 338 G N 1.386 110.243 108.800 0.095 0.000 2.475 338 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.220 338 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.220 338 G C 1.453 176.477 174.900 0.207 0.000 1.125 338 G CA 0.679 45.867 45.100 0.148 0.000 0.755 338 G HN 0.215 nan 8.290 nan 0.000 0.565 339 I N 1.130 121.831 120.570 0.218 0.000 2.141 339 I HA -0.158 4.011 4.170 -0.000 0.000 0.236 339 I C 3.297 179.398 176.117 -0.026 0.000 1.071 339 I CA 1.804 63.236 61.300 0.220 0.000 1.345 339 I CB -0.923 37.237 38.000 0.268 0.000 1.066 339 I HN 0.336 nan 8.210 nan 0.000 0.406 340 T N -0.764 113.786 114.554 -0.006 0.000 2.684 340 T HA -0.285 4.065 4.350 -0.000 0.000 0.267 340 T C 1.895 176.565 174.700 -0.049 0.000 1.036 340 T CA 1.560 63.633 62.100 -0.046 0.000 1.148 340 T CB -0.476 68.378 68.868 -0.023 0.000 0.863 340 T HN 0.209 nan 8.240 nan 0.000 0.436 341 K N 1.152 121.544 120.400 -0.014 0.000 2.281 341 K HA 0.062 4.382 4.320 -0.000 0.000 0.203 341 K C 2.337 178.934 176.600 -0.006 0.000 1.046 341 K CA 1.021 57.301 56.287 -0.012 0.000 0.938 341 K CB -0.418 32.085 32.500 0.004 0.000 0.737 341 K HN 0.537 nan 8.250 nan 0.000 0.458 342 A N -0.055 122.765 122.820 -0.000 0.000 1.911 342 A HA -0.047 4.273 4.320 -0.000 0.000 0.212 342 A C 2.261 179.782 177.584 -0.105 0.000 1.189 342 A CA 0.708 52.774 52.037 0.049 0.000 0.639 342 A CB -0.726 18.305 19.000 0.050 0.000 0.839 342 A HN 0.453 nan 8.150 nan 0.000 0.449 343 C N -0.232 118.918 119.300 -0.249 0.000 2.396 343 C HA -0.159 4.301 4.460 -0.000 0.000 0.277 343 C C 2.927 177.846 174.990 -0.117 0.000 1.231 343 C CA 1.439 60.314 59.018 -0.238 0.000 1.775 343 C CB -1.347 26.266 27.740 -0.211 0.000 2.036 343 C HN 0.577 nan 8.230 nan 0.000 0.484 344 R N 0.539 120.993 120.500 -0.077 0.000 2.057 344 R HA -0.077 4.263 4.340 -0.000 0.000 0.229 344 R C 2.061 178.345 176.300 -0.026 0.000 1.136 344 R CA 1.317 57.389 56.100 -0.048 0.000 0.952 344 R CB -0.399 29.875 30.300 -0.043 0.000 0.848 344 R HN 0.645 nan 8.270 nan 0.000 0.430 345 E N 0.602 120.795 120.200 -0.011 0.000 2.338 345 E HA -0.102 4.248 4.350 -0.000 0.000 0.197 345 E C 1.610 178.262 176.600 0.086 0.000 1.007 345 E CA 0.644 57.048 56.400 0.007 0.000 0.849 345 E CB 0.130 29.793 29.700 -0.062 0.000 0.774 345 E HN 0.309 nan 8.360 nan 0.000 0.506 346 L N 0.459 121.731 121.223 0.082 0.000 2.590 346 L HA 0.058 4.398 4.340 -0.000 0.000 0.227 346 L C 0.107 176.971 176.870 -0.011 0.000 1.099 346 L CA -0.067 54.807 54.840 0.057 0.000 0.872 346 L CB 0.407 42.459 42.059 -0.013 0.000 1.088 346 L HN -0.035 nan 8.230 nan 0.000 0.479 347 E N 2.114 122.298 120.200 -0.026 0.000 2.202 347 E HA -0.226 4.124 4.350 -0.000 0.000 0.214 347 E C 0.035 176.610 176.600 -0.042 0.000 1.303 347 E CA 0.636 57.016 56.400 -0.033 0.000 0.714 347 E CB -1.664 28.026 29.700 -0.018 0.000 1.130 347 E HN 0.514 nan 8.360 nan 0.000 0.356 348 L N -2.224 118.957 121.223 -0.069 0.000 2.483 348 L HA 0.171 4.511 4.340 -0.000 0.000 0.276 348 L C 0.902 177.745 176.870 -0.045 0.000 1.213 348 L CA 0.406 55.206 54.840 -0.067 0.000 0.843 348 L CB 0.555 42.550 42.059 -0.107 0.000 1.107 348 L HN 0.024 nan 8.230 nan 0.000 0.487 349 K N 2.853 123.236 120.400 -0.029 0.000 2.792 349 K HA 0.321 4.641 4.320 -0.000 0.000 0.207 349 K C -1.019 175.576 176.600 -0.009 0.000 1.103 349 K CA -0.347 55.929 56.287 -0.018 0.000 1.048 349 K CB 0.686 33.179 32.500 -0.012 0.000 0.777 349 K HN 0.680 nan 8.250 nan 0.000 0.468 350 V N -0.628 119.282 119.914 -0.007 0.000 2.540 350 V HA 0.615 4.735 4.120 -0.000 0.000 0.302 350 V C -2.597 173.505 176.094 0.013 0.000 1.035 350 V CA -2.565 59.740 62.300 0.008 0.000 0.873 350 V CB 1.140 32.974 31.823 0.019 0.000 0.992 350 V HN 0.109 nan 8.190 nan 0.000 0.428 351 P HA 0.141 nan 4.420 nan 0.000 0.261 351 P C -0.736 176.588 177.300 0.040 0.000 1.203 351 P CA 0.113 63.226 63.100 0.022 0.000 0.767 351 P CB 1.104 32.817 31.700 0.022 0.000 0.785 352 L N 5.820 127.067 121.223 0.040 0.000 2.307 352 L HA 0.423 4.763 4.340 -0.000 0.000 0.282 352 L C -0.726 176.189 176.870 0.074 0.000 1.051 352 L CA -0.507 54.378 54.840 0.075 0.000 0.804 352 L CB 1.725 43.824 42.059 0.067 0.000 1.197 352 L HN 0.121 nan 8.230 nan 0.000 0.431 353 V N 5.639 125.611 119.914 0.098 0.000 2.540 353 V HA 0.606 4.726 4.120 -0.000 0.000 0.302 353 V C -0.599 175.555 176.094 0.101 0.000 1.035 353 V CA -0.617 61.730 62.300 0.079 0.000 0.873 353 V CB 1.941 33.804 31.823 0.066 0.000 0.992 353 V HN 0.565 nan 8.190 nan 0.000 0.428 354 V N 5.200 125.161 119.914 0.077 0.000 2.656 354 V HA 0.674 4.794 4.120 -0.000 0.000 0.307 354 V C -0.283 175.830 176.094 0.033 0.000 1.051 354 V CA -0.776 61.570 62.300 0.076 0.000 0.893 354 V CB 2.224 34.101 31.823 0.091 0.000 0.999 354 V HN 0.763 nan 8.190 nan 0.000 0.426 355 R N 4.973 125.480 120.500 0.012 0.000 2.468 355 R HA 0.592 4.932 4.340 -0.000 0.000 0.302 355 R C -1.890 174.377 176.300 -0.055 0.000 1.041 355 R CA -0.345 55.745 56.100 -0.016 0.000 0.899 355 R CB 1.072 31.369 30.300 -0.005 0.000 1.167 355 R HN 0.734 nan 8.270 nan 0.000 0.483 356 L N 2.201 123.378 121.223 -0.077 0.000 2.330 356 L HA 0.637 4.977 4.340 -0.000 0.000 0.271 356 L C -0.337 176.405 176.870 -0.213 0.000 1.013 356 L CA -0.913 53.847 54.840 -0.134 0.000 0.816 356 L CB 2.019 44.018 42.059 -0.100 0.000 1.287 356 L HN 0.536 nan 8.230 nan 0.000 0.435 357 E N 0.388 120.358 120.200 -0.383 0.000 2.388 357 E HA 0.637 4.987 4.350 -0.000 0.000 0.282 357 E C -0.552 175.514 176.600 -0.889 0.000 1.026 357 E CA 0.389 56.440 56.400 -0.582 0.000 0.820 357 E CB 1.847 31.137 29.700 -0.682 0.000 1.226 357 E HN 0.829 nan 8.360 nan 0.000 0.432 358 G N 1.096 109.548 108.800 -0.580 0.000 2.428 358 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.202 358 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.202 358 G C -0.688 174.150 174.900 -0.104 0.000 1.247 358 G CA -0.390 44.521 45.100 -0.315 0.000 1.020 358 G HN 0.847 nan 8.290 nan 0.000 0.529 359 T N 1.836 116.385 114.554 -0.007 0.000 2.777 359 T HA 0.214 4.564 4.350 -0.000 0.000 0.273 359 T C 1.120 175.811 174.700 -0.016 0.000 1.016 359 T CA 1.543 63.647 62.100 0.007 0.000 1.156 359 T CB -0.019 68.866 68.868 0.029 0.000 1.019 359 T HN 1.382 nan 8.240 nan 0.000 0.503 360 N N 0.724 119.424 118.700 -0.001 0.000 2.829 360 N HA -0.191 4.549 4.740 -0.000 0.000 0.250 360 N C 1.107 176.613 175.510 -0.007 0.000 1.090 360 N CA 0.713 53.765 53.050 0.003 0.000 0.781 360 N CB -1.484 37.001 38.487 -0.003 0.000 1.124 360 N HN 0.444 nan 8.380 nan 0.000 0.559 361 V N 0.805 120.709 119.914 -0.017 0.000 2.254 361 V HA -0.350 3.770 4.120 -0.000 0.000 0.242 361 V C 2.391 178.492 176.094 0.012 0.000 1.024 361 V CA 2.473 64.757 62.300 -0.026 0.000 1.009 361 V CB -0.992 30.817 31.823 -0.024 0.000 0.653 361 V HN 0.627 nan 8.190 nan 0.000 0.474 362 H N 0.148 119.196 119.070 -0.037 0.000 2.346 362 H HA -0.331 4.225 4.556 -0.000 0.000 0.285 362 H C 2.416 177.731 175.328 -0.020 0.000 1.123 362 H CA 2.799 58.832 56.048 -0.025 0.000 1.182 362 H CB -0.079 29.672 29.762 -0.019 0.000 1.351 362 H HN 0.701 nan 8.280 nan 0.000 0.475 363 E N 0.117 120.248 120.200 -0.116 0.000 2.031 363 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 363 E C 2.450 178.961 176.600 -0.147 0.000 0.994 363 E CA 1.169 57.472 56.400 -0.161 0.000 0.800 363 E CB -0.260 29.421 29.700 -0.032 0.000 0.752 363 E HN 0.555 nan 8.360 nan 0.000 0.447 364 A N 0.622 123.389 122.820 -0.088 0.000 2.019 364 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 364 A C 1.989 179.526 177.584 -0.079 0.000 1.164 364 A CA 1.520 53.517 52.037 -0.067 0.000 0.644 364 A CB -0.475 18.497 19.000 -0.046 0.000 0.805 364 A HN 0.388 nan 8.150 nan 0.000 0.449 365 Q N -0.376 119.359 119.800 -0.108 0.000 2.369 365 Q HA -0.086 4.254 4.340 -0.000 0.000 0.206 365 Q C 1.240 177.174 176.000 -0.110 0.000 0.963 365 Q CA 1.042 56.788 55.803 -0.094 0.000 0.894 365 Q CB -0.094 28.592 28.738 -0.086 0.000 0.965 365 Q HN 0.669 nan 8.270 nan 0.000 0.475 366 N N 0.465 119.070 118.700 -0.159 0.000 2.387 366 N HA 0.030 4.770 4.740 -0.000 0.000 0.176 366 N C 1.800 177.260 175.510 -0.082 0.000 1.022 366 N CA 0.611 53.580 53.050 -0.135 0.000 0.883 366 N CB 0.151 38.524 38.487 -0.189 0.000 1.019 366 N HN 0.230 nan 8.380 nan 0.000 0.435 367 I N 1.447 121.972 120.570 -0.075 0.000 2.264 367 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 367 I C 1.981 178.078 176.117 -0.034 0.000 1.111 367 I CA 1.112 62.385 61.300 -0.045 0.000 1.382 367 I CB -0.239 37.741 38.000 -0.034 0.000 1.060 367 I HN 0.045 nan 8.210 nan 0.000 0.418 368 L N -0.371 120.831 121.223 -0.035 0.000 2.062 368 L HA -0.096 4.244 4.340 -0.000 0.000 0.202 368 L C 2.628 179.481 176.870 -0.027 0.000 1.079 368 L CA 1.272 56.098 54.840 -0.024 0.000 0.755 368 L CB -1.252 40.797 42.059 -0.016 0.000 0.913 368 L HN 0.090 nan 8.230 nan 0.000 0.445 369 T N 0.311 114.845 114.554 -0.034 0.000 2.684 369 T HA -0.222 4.128 4.350 -0.000 0.000 0.267 369 T C 1.716 176.400 174.700 -0.027 0.000 1.032 369 T CA 1.845 63.927 62.100 -0.030 0.000 1.155 369 T CB -0.345 68.500 68.868 -0.038 0.000 0.857 369 T HN 0.286 nan 8.240 nan 0.000 0.457 370 N N 1.003 119.683 118.700 -0.032 0.000 2.051 370 N HA -0.076 4.663 4.740 -0.000 0.000 0.192 370 N C 2.245 177.741 175.510 -0.023 0.000 1.049 370 N CA 1.657 54.691 53.050 -0.027 0.000 0.845 370 N CB -0.840 37.630 38.487 -0.030 0.000 1.031 370 N HN 0.550 nan 8.380 nan 0.000 0.425 371 S N 0.128 115.813 115.700 -0.024 0.000 2.464 371 S HA -0.213 4.257 4.470 -0.000 0.000 0.255 371 S C 1.671 176.257 174.600 -0.023 0.000 1.027 371 S CA 1.647 59.832 58.200 -0.024 0.000 0.994 371 S CB -1.101 62.083 63.200 -0.027 0.000 0.769 371 S HN 0.607 nan 8.310 nan 0.000 0.502 372 G N 0.587 109.375 108.800 -0.021 0.000 2.196 372 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.268 372 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.268 372 G C 0.087 174.975 174.900 -0.020 0.000 0.975 372 G CA 0.643 45.731 45.100 -0.018 0.000 0.648 372 G HN 0.669 nan 8.290 nan 0.000 0.538 373 L N 0.997 122.206 121.223 -0.025 0.000 2.452 373 L HA 0.253 4.593 4.340 -0.000 0.000 0.267 373 L C -0.242 176.614 176.870 -0.023 0.000 1.188 373 L CA -1.246 53.577 54.840 -0.029 0.000 0.821 373 L CB 0.187 42.222 42.059 -0.041 0.000 1.102 373 L HN -0.037 nan 8.230 nan 0.000 0.470 374 P HA -0.034 nan 4.420 nan 0.000 0.261 374 P C 0.236 177.531 177.300 -0.008 0.000 1.297 374 P CA 0.482 63.574 63.100 -0.014 0.000 0.757 374 P CB -0.270 31.420 31.700 -0.015 0.000 1.149 375 I N 0.789 121.353 120.570 -0.009 0.000 2.671 375 I HA -0.017 4.152 4.170 -0.000 0.000 0.285 375 I C 0.589 176.713 176.117 0.012 0.000 1.148 375 I CA 0.448 61.751 61.300 0.004 0.000 1.386 375 I CB -0.255 37.747 38.000 0.003 0.000 1.406 375 I HN -0.160 nan 8.210 nan 0.000 0.540 376 T N 5.181 119.748 114.554 0.021 0.000 2.794 376 T HA 0.091 4.441 4.350 -0.000 0.000 0.296 376 T C 0.264 174.978 174.700 0.023 0.000 0.949 376 T CA -0.228 61.884 62.100 0.020 0.000 1.101 376 T CB 0.909 69.791 68.868 0.024 0.000 0.905 376 T HN 0.581 nan 8.240 nan 0.000 0.516 377 S N 2.102 117.810 115.700 0.014 0.000 2.457 377 S HA 0.667 5.136 4.470 -0.000 0.000 0.289 377 S C -0.031 174.575 174.600 0.010 0.000 1.163 377 S CA -0.787 57.419 58.200 0.011 0.000 1.078 377 S CB 0.287 63.488 63.200 0.002 0.000 0.987 377 S HN 0.871 nan 8.310 nan 0.000 0.482 378 A N 3.704 126.530 122.820 0.010 0.000 2.306 378 A HA 0.626 4.946 4.320 -0.000 0.000 0.330 378 A C 0.942 178.527 177.584 0.002 0.000 1.146 378 A CA -0.666 51.377 52.037 0.010 0.000 0.827 378 A CB 1.166 20.176 19.000 0.016 0.000 1.178 378 A HN 0.939 nan 8.150 nan 0.000 0.490 379 V N 0.483 120.400 119.914 0.005 0.000 2.649 379 V HA 0.130 4.250 4.120 -0.000 0.000 0.248 379 V C 0.459 176.553 176.094 0.000 0.000 1.054 379 V CA 2.600 64.901 62.300 0.001 0.000 1.073 379 V CB -0.731 31.095 31.823 0.006 0.000 0.699 379 V HN 1.106 nan 8.190 nan 0.000 0.463 380 D N -2.660 117.745 120.400 0.008 0.000 2.921 380 D HA 0.147 4.787 4.640 -0.000 0.000 0.329 380 D C 0.272 176.585 176.300 0.023 0.000 1.293 380 D CA -0.319 53.690 54.000 0.016 0.000 0.964 380 D CB 0.499 41.314 40.800 0.026 0.000 1.435 380 D HN -0.136 nan 8.370 nan 0.000 0.548 381 L N -0.227 121.017 121.223 0.035 0.000 2.313 381 L HA 0.208 4.548 4.340 -0.000 0.000 0.214 381 L C 1.836 178.728 176.870 0.036 0.000 1.119 381 L CA 1.772 56.634 54.840 0.038 0.000 0.809 381 L CB -0.949 41.139 42.059 0.049 0.000 0.933 381 L HN 0.606 nan 8.230 nan 0.000 0.449 382 E N -0.184 120.035 120.200 0.033 0.000 2.015 382 E HA -0.217 4.133 4.350 -0.000 0.000 0.191 382 E C 1.812 178.428 176.600 0.026 0.000 0.991 382 E CA 1.524 57.943 56.400 0.030 0.000 0.802 382 E CB -0.220 29.496 29.700 0.026 0.000 0.759 382 E HN 0.513 nan 8.360 nan 0.000 0.447 383 D N -0.391 120.023 120.400 0.023 0.000 2.156 383 D HA -0.236 4.404 4.640 -0.000 0.000 0.190 383 D C 1.829 178.143 176.300 0.023 0.000 0.998 383 D CA 2.398 56.410 54.000 0.020 0.000 0.842 383 D CB -0.549 40.261 40.800 0.017 0.000 0.974 383 D HN 0.261 nan 8.370 nan 0.000 0.447 384 A N 0.477 123.312 122.820 0.025 0.000 1.927 384 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 384 A C 2.311 179.917 177.584 0.036 0.000 1.185 384 A CA 3.158 55.214 52.037 0.031 0.000 0.639 384 A CB -1.326 17.693 19.000 0.031 0.000 0.820 384 A HN 0.383 nan 8.150 nan 0.000 0.451 385 A N -0.295 122.547 122.820 0.037 0.000 1.829 385 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 385 A C 2.094 179.697 177.584 0.033 0.000 1.207 385 A CA 1.969 54.030 52.037 0.040 0.000 0.622 385 A CB -0.723 18.302 19.000 0.041 0.000 0.846 385 A HN 0.526 nan 8.150 nan 0.000 0.447 386 K N -0.208 120.207 120.400 0.025 0.000 2.059 386 K HA -0.238 4.082 4.320 -0.000 0.000 0.212 386 K C 2.175 178.786 176.600 0.018 0.000 1.050 386 K CA 2.049 58.346 56.287 0.018 0.000 0.927 386 K CB -0.315 32.193 32.500 0.014 0.000 0.714 386 K HN 0.463 nan 8.250 nan 0.000 0.447 387 K N 0.433 120.845 120.400 0.021 0.000 2.032 387 K HA -0.127 4.192 4.320 -0.000 0.000 0.209 387 K C 2.255 178.871 176.600 0.026 0.000 1.048 387 K CA 1.300 57.600 56.287 0.021 0.000 0.927 387 K CB -0.271 32.243 32.500 0.022 0.000 0.712 387 K HN 0.164 nan 8.250 nan 0.000 0.441 388 A N 1.091 123.931 122.820 0.034 0.000 2.084 388 A HA -0.145 4.175 4.320 -0.000 0.000 0.221 388 A C 2.294 179.900 177.584 0.037 0.000 1.161 388 A CA 1.496 53.558 52.037 0.042 0.000 0.653 388 A CB -0.576 18.456 19.000 0.053 0.000 0.802 388 A HN 0.094 nan 8.150 nan 0.000 0.457 389 V N -0.659 119.272 119.914 0.028 0.000 2.273 389 V HA -0.126 3.994 4.120 -0.000 0.000 0.242 389 V C 3.026 179.129 176.094 0.015 0.000 1.035 389 V CA 1.613 63.925 62.300 0.020 0.000 1.013 389 V CB -1.252 30.576 31.823 0.009 0.000 0.652 389 V HN 0.582 nan 8.190 nan 0.000 0.452 390 A N 0.166 122.993 122.820 0.012 0.000 1.958 390 A HA -0.240 4.080 4.320 -0.000 0.000 0.221 390 A C 2.202 179.793 177.584 0.012 0.000 1.178 390 A CA 2.220 54.263 52.037 0.009 0.000 0.642 390 A CB -0.818 18.187 19.000 0.009 0.000 0.816 390 A HN 0.540 nan 8.150 nan 0.000 0.453 391 S N -0.948 114.763 115.700 0.018 0.000 2.711 391 S HA 0.144 4.614 4.470 -0.000 0.000 0.237 391 S C 0.616 175.228 174.600 0.020 0.000 0.971 391 S CA 0.976 59.188 58.200 0.020 0.000 0.964 391 S CB -0.718 62.498 63.200 0.026 0.000 0.775 391 S HN 1.183 nan 8.310 nan 0.000 0.540 392 V N -2.480 117.445 119.914 0.018 0.000 3.214 392 V HA 0.456 4.575 4.120 -0.000 0.000 0.433 392 V C -0.388 175.713 176.094 0.013 0.000 1.469 392 V CA -0.584 61.727 62.300 0.018 0.000 1.825 392 V CB 0.041 31.878 31.823 0.024 0.000 1.245 392 V HN 0.069 nan 8.190 nan 0.000 0.637 393 T N 0.000 114.560 114.554 0.010 0.000 3.816 393 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 393 T CA 0.000 62.103 62.100 0.006 0.000 1.349 393 T CB 0.000 68.870 68.868 0.003 0.000 0.612 393 T HN 0.000 nan 8.240 nan 0.000 0.658