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 1x1i_1_A DATA FIRST_RESID 26 DATA SEQUENCE SDEFDALRIK WATLLTGGPA LDPADSDIAA RTDKLAQDAN DYWEDMDLSS DATA SEQUENCE SRTYIWYALR GNGTSDNVNA VYERLRTMAL AATTVGSSLY GNADLKEDIL DATA SEQUENCE DALDWLYVNS YNSTRSRSAY NWWHWQLGIP MSLNDIAVLL YDDISAARMA DATA SEQUENCE TYMDTIDYFT PSIGLTGAAR AWQAIVVGVR AVIVKDAVKL AAARNGLSGT DATA SEQUENCE GIFPYATGGD GFYADGSFVQ HTTFAYTGGY GSSVLETTAN LMYLLSGSTW DATA SEQUENCE SVSDPNQSNV WQWIYEAYRP LLYKGAMMDM VRGREISRSY AQDHAVGHGI DATA SEQUENCE VASIVRLAQF APAPHAAAFK QIAKRVIQED TFSSFYGDVS TDTIRLAKAI DATA SEQUENCE VDDPSIAPAA APNLYKQYAA MDRAVLQRPG FALGLALYST RISSYESINS DATA SEQUENCE ENGRGWYTGA GATYLYNQDL AQYSEDYWPT VDAYRIPGTT VASGTPIASG DATA SEQUENCE TGTSSWTGGV SLAGQYGASG MDLSYGAYNL SARKSWFMFD DEIVALGSGI DATA SEQUENCE SSTAGIPIET VVDNRKLNGA GDNAWTANGA ALSTGLGVAQ TLTGVNWVHL DATA SEQUENCE AGNTADGSDI GYYFPGGATL QTKREARTGT WKQINNRPAT PSTAVTRNYE DATA SEQUENCE TMWIDHGTNP SGASYGYVLL PNKTSAQVGA YAADPAIEIV VNTSGVQSVK DATA SEQUENCE EKTLGLVGAN FWTDTTQTAD LITSNKKASV MTREIADERL EASVSDPTQA DATA SEQUENCE NNGTIAIELA RSAEGYSADP GITVTQLAPT IKFTVNVNGA KGKSFHASFQ DATA SEQUENCE LG 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 26 S HA 0.000 nan 4.470 nan 0.000 0.327 26 S C 0.000 174.643 174.600 0.072 0.000 1.055 26 S CA 0.000 58.242 58.200 0.070 0.000 1.107 26 S CB 0.000 63.236 63.200 0.059 0.000 0.593 27 D N -0.015 120.443 120.400 0.098 0.000 2.621 27 D HA 0.491 5.131 4.640 0.001 0.000 0.255 27 D C 0.824 177.165 176.300 0.069 0.000 1.122 27 D CA -0.841 53.220 54.000 0.101 0.000 1.096 27 D CB 0.369 41.283 40.800 0.190 0.000 1.282 27 D HN 0.521 nan 8.370 nan 0.000 0.619 28 E N -1.142 119.058 120.200 0.001 0.000 2.204 28 E HA -0.132 4.219 4.350 0.001 0.000 0.194 28 E C 1.204 177.780 176.600 -0.040 0.000 0.989 28 E CA 0.787 57.153 56.400 -0.057 0.000 0.824 28 E CB -0.155 29.463 29.700 -0.136 0.000 0.756 28 E HN 0.455 nan 8.360 nan 0.000 0.477 29 F N 1.580 121.597 119.950 0.112 0.000 2.186 29 F HA -0.147 4.380 4.527 0.000 0.000 0.299 29 F C 2.049 177.834 175.800 -0.025 0.000 1.090 29 F CA 1.172 59.185 58.000 0.023 0.000 1.307 29 F CB -0.288 38.706 39.000 -0.011 0.000 1.019 29 F HN 0.050 nan 8.300 nan 0.000 0.489 30 D N 0.179 120.676 120.400 0.161 0.000 2.117 30 D HA -0.145 4.496 4.640 0.001 0.000 0.197 30 D C 2.376 178.699 176.300 0.038 0.000 0.987 30 D CA 1.417 55.449 54.000 0.053 0.000 0.829 30 D CB -0.630 40.210 40.800 0.067 0.000 0.961 30 D HN 0.245 nan 8.370 nan 0.000 0.460 31 A N 0.799 123.649 122.820 0.050 0.000 1.877 31 A HA -0.125 4.196 4.320 0.001 0.000 0.216 31 A C 2.413 180.025 177.584 0.047 0.000 1.186 31 A CA 0.935 52.996 52.037 0.039 0.000 0.620 31 A CB -0.803 18.212 19.000 0.025 0.000 0.822 31 A HN 0.193 nan 8.150 nan 0.000 0.443 32 L N -1.211 120.045 121.223 0.055 0.000 2.046 32 L HA -0.165 4.176 4.340 0.001 0.000 0.208 32 L C 2.803 179.732 176.870 0.099 0.000 1.077 32 L CA 1.695 56.575 54.840 0.067 0.000 0.747 32 L CB -0.454 41.639 42.059 0.056 0.000 0.896 32 L HN 0.448 nan 8.230 nan 0.000 0.432 33 R N 0.707 121.239 120.500 0.055 0.000 2.081 33 R HA -0.162 4.178 4.340 0.001 0.000 0.235 33 R C 2.275 178.631 176.300 0.093 0.000 1.131 33 R CA 1.526 57.646 56.100 0.032 0.000 0.960 33 R CB -0.211 29.996 30.300 -0.155 0.000 0.856 33 R HN 0.314 nan 8.270 nan 0.000 0.436 34 I N 0.626 121.233 120.570 0.062 0.000 2.315 34 I HA -0.239 3.931 4.170 0.001 0.000 0.248 34 I C 2.550 178.734 176.117 0.112 0.000 1.117 34 I CA 1.118 62.464 61.300 0.077 0.000 1.404 34 I CB -0.257 37.778 38.000 0.058 0.000 1.071 34 I HN 0.216 nan 8.210 nan 0.000 0.419 35 K N 0.689 121.166 120.400 0.127 0.000 2.097 35 K HA -0.237 4.083 4.320 0.001 0.000 0.206 35 K C 2.238 178.978 176.600 0.233 0.000 1.049 35 K CA 1.437 57.816 56.287 0.153 0.000 0.933 35 K CB -0.219 32.335 32.500 0.091 0.000 0.717 35 K HN 0.463 nan 8.250 nan 0.000 0.442 36 W N 1.156 122.500 121.300 0.074 0.000 2.418 36 W HA -0.122 4.538 4.660 0.000 0.000 0.292 36 W C 1.751 178.319 176.519 0.082 0.000 1.213 36 W CA 1.421 58.821 57.345 0.091 0.000 1.283 36 W CB -0.135 29.356 29.460 0.052 0.000 1.119 36 W HN 0.191 nan 8.180 nan 0.000 0.542 37 A N 0.539 123.453 122.820 0.155 0.000 1.908 37 A HA -0.233 4.087 4.320 0.001 0.000 0.218 37 A C 1.900 179.474 177.584 -0.018 0.000 1.181 37 A CA 2.581 54.657 52.037 0.065 0.000 0.627 37 A CB -1.306 17.755 19.000 0.102 0.000 0.818 37 A HN 0.275 nan 8.150 nan 0.000 0.445 38 T N -0.127 114.433 114.554 0.010 0.000 2.821 38 T HA -0.079 4.271 4.350 0.001 0.000 0.267 38 T C 1.805 176.459 174.700 -0.077 0.000 1.046 38 T CA 1.257 63.356 62.100 -0.002 0.000 1.139 38 T CB -0.350 68.548 68.868 0.050 0.000 0.871 38 T HN 0.431 nan 8.240 nan 0.000 0.454 39 L N 0.365 121.498 121.223 -0.150 0.000 2.191 39 L HA -0.013 4.328 4.340 0.001 0.000 0.212 39 L C 1.910 178.577 176.870 -0.339 0.000 1.103 39 L CA 1.321 55.988 54.840 -0.288 0.000 0.769 39 L CB -0.182 41.593 42.059 -0.473 0.000 0.908 39 L HN 0.277 nan 8.230 nan 0.000 0.438 40 L N -1.219 119.801 121.223 -0.338 0.000 2.168 40 L HA -0.045 4.295 4.340 0.001 0.000 0.203 40 L C 2.491 179.296 176.870 -0.108 0.000 1.078 40 L CA 1.351 56.051 54.840 -0.234 0.000 0.780 40 L CB -0.617 41.324 42.059 -0.196 0.000 0.939 40 L HN 0.396 nan 8.230 nan 0.000 0.451 41 T N -4.519 109.995 114.554 -0.067 0.000 3.037 41 T HA 0.259 4.610 4.350 0.001 0.000 0.252 41 T C 1.471 176.155 174.700 -0.027 0.000 1.073 41 T CA 0.666 62.755 62.100 -0.019 0.000 1.091 41 T CB 0.881 69.767 68.868 0.030 0.000 0.935 41 T HN 0.413 nan 8.240 nan 0.000 0.488 42 G N 0.705 109.480 108.800 -0.042 0.000 2.213 42 G HA2 0.287 4.247 3.960 0.001 0.000 0.226 42 G HA3 0.287 4.247 3.960 0.001 0.000 0.226 42 G C 0.950 175.838 174.900 -0.021 0.000 0.992 42 G CA 0.161 45.238 45.100 -0.038 0.000 0.632 42 G HN 1.828 nan 8.290 nan 0.000 0.511 43 G N -0.224 108.572 108.800 -0.006 0.000 2.796 43 G HA2 0.211 4.171 3.960 0.001 0.000 0.571 43 G HA3 0.211 4.171 3.960 0.001 0.000 0.571 43 G C -0.748 174.150 174.900 -0.003 0.000 1.370 43 G CA 0.313 45.419 45.100 0.010 0.000 0.856 43 G HN 0.858 nan 8.290 nan 0.000 0.538 44 P HA 0.065 nan 4.420 nan 0.000 0.222 44 P C 1.601 178.881 177.300 -0.033 0.000 1.153 44 P CA 2.025 65.116 63.100 -0.016 0.000 0.798 44 P CB -0.005 31.701 31.700 0.010 0.000 0.796 45 A N 0.246 123.055 122.820 -0.019 0.000 2.235 45 A HA 0.054 4.374 4.320 0.001 0.000 0.208 45 A C 1.235 178.798 177.584 -0.035 0.000 1.172 45 A CA -0.124 51.899 52.037 -0.022 0.000 0.786 45 A CB -1.037 17.957 19.000 -0.009 0.000 0.804 45 A HN 0.146 nan 8.150 nan 0.000 0.479 46 L N 1.971 123.167 121.223 -0.044 0.000 2.827 46 L HA -0.022 4.319 4.340 0.001 0.000 0.280 46 L C -0.552 176.280 176.870 -0.063 0.000 1.122 46 L CA 0.699 55.507 54.840 -0.053 0.000 1.044 46 L CB -1.199 40.824 42.059 -0.061 0.000 1.402 46 L HN 0.234 nan 8.230 nan 0.000 0.467 47 D N 8.116 128.482 120.400 -0.055 0.000 2.363 47 D HA 0.068 4.708 4.640 0.001 0.000 0.263 47 D C -1.342 174.920 176.300 -0.063 0.000 1.258 47 D CA -1.589 52.378 54.000 -0.056 0.000 0.907 47 D CB 1.148 41.918 40.800 -0.050 0.000 1.107 47 D HN 0.407 nan 8.370 nan 0.000 0.495 48 P HA -0.018 nan 4.420 nan 0.000 0.237 48 P C 0.571 177.839 177.300 -0.054 0.000 1.178 48 P CA 0.244 63.307 63.100 -0.061 0.000 0.766 48 P CB 0.262 31.924 31.700 -0.064 0.000 0.876 49 A N -0.388 122.401 122.820 -0.051 0.000 2.259 49 A HA 0.016 4.337 4.320 0.001 0.000 0.208 49 A C 0.858 178.410 177.584 -0.054 0.000 1.201 49 A CA 0.118 52.127 52.037 -0.046 0.000 0.824 49 A CB -0.781 18.195 19.000 -0.039 0.000 0.838 49 A HN 0.070 nan 8.150 nan 0.000 0.485 50 D N -0.363 119.997 120.400 -0.067 0.000 2.232 50 D HA 0.218 4.858 4.640 0.001 0.000 0.242 50 D C 1.171 177.417 176.300 -0.089 0.000 1.093 50 D CA 0.296 54.243 54.000 -0.087 0.000 0.845 50 D CB 1.612 42.346 40.800 -0.111 0.000 1.124 50 D HN 0.095 nan 8.370 nan 0.000 0.467 51 S N 3.655 119.303 115.700 -0.088 0.000 2.369 51 S HA -0.262 4.209 4.470 0.001 0.000 0.225 51 S C 1.063 175.613 174.600 -0.083 0.000 1.043 51 S CA 2.179 60.335 58.200 -0.073 0.000 1.074 51 S CB -0.111 63.052 63.200 -0.061 0.000 0.962 51 S HN 0.594 nan 8.310 nan 0.000 0.433 52 D N 0.567 120.887 120.400 -0.133 0.000 2.178 52 D HA 0.046 4.686 4.640 0.001 0.000 0.202 52 D C 1.877 178.112 176.300 -0.107 0.000 0.974 52 D CA 1.093 55.016 54.000 -0.128 0.000 0.841 52 D CB -0.126 40.512 40.800 -0.270 0.000 0.953 52 D HN 0.433 nan 8.370 nan 0.000 0.478 53 I N 1.038 121.533 120.570 -0.126 0.000 2.133 53 I HA -0.241 3.929 4.170 0.001 0.000 0.238 53 I C 2.479 178.557 176.117 -0.065 0.000 1.074 53 I CA 0.952 62.197 61.300 -0.092 0.000 1.342 53 I CB -0.339 37.605 38.000 -0.093 0.000 1.053 53 I HN 0.002 nan 8.210 nan 0.000 0.404 54 A N 0.822 123.604 122.820 -0.062 0.000 1.948 54 A HA -0.234 4.086 4.320 0.001 0.000 0.220 54 A C 2.493 180.054 177.584 -0.039 0.000 1.177 54 A CA 2.075 54.084 52.037 -0.047 0.000 0.636 54 A CB -0.833 18.141 19.000 -0.044 0.000 0.815 54 A HN 0.486 nan 8.150 nan 0.000 0.449 55 A N -0.654 122.142 122.820 -0.041 0.000 1.930 55 A HA -0.103 4.217 4.320 0.001 0.000 0.217 55 A C 2.189 179.754 177.584 -0.031 0.000 1.175 55 A CA 2.000 54.018 52.037 -0.032 0.000 0.627 55 A CB -0.360 18.624 19.000 -0.027 0.000 0.815 55 A HN 0.457 nan 8.150 nan 0.000 0.443 56 R N 0.105 120.584 120.500 -0.035 0.000 2.075 56 R HA -0.069 4.271 4.340 0.001 0.000 0.226 56 R C 2.331 178.613 176.300 -0.031 0.000 1.114 56 R CA 2.267 58.346 56.100 -0.034 0.000 0.972 56 R CB -1.084 29.193 30.300 -0.039 0.000 0.869 56 R HN 0.591 nan 8.270 nan 0.000 0.437 57 T N -1.760 112.776 114.554 -0.030 0.000 2.867 57 T HA -0.068 4.282 4.350 0.001 0.000 0.268 57 T C 1.272 175.964 174.700 -0.014 0.000 1.057 57 T CA 1.388 63.476 62.100 -0.021 0.000 1.136 57 T CB -0.238 68.615 68.868 -0.024 0.000 0.874 57 T HN 0.124 nan 8.240 nan 0.000 0.466 58 D N 1.274 121.663 120.400 -0.019 0.000 2.162 58 D HA -0.017 4.623 4.640 0.001 0.000 0.203 58 D C 2.072 178.358 176.300 -0.023 0.000 0.967 58 D CA 0.912 54.902 54.000 -0.016 0.000 0.840 58 D CB -0.187 40.602 40.800 -0.018 0.000 0.972 58 D HN 0.506 nan 8.370 nan 0.000 0.482 59 K N 0.567 120.950 120.400 -0.029 0.000 2.097 59 K HA -0.137 4.183 4.320 0.001 0.000 0.205 59 K C 2.145 178.719 176.600 -0.043 0.000 1.050 59 K CA 0.522 56.785 56.287 -0.040 0.000 0.938 59 K CB -0.053 32.424 32.500 -0.039 0.000 0.718 59 K HN -0.028 nan 8.250 nan 0.000 0.442 60 L N 1.181 122.387 121.223 -0.028 0.000 1.976 60 L HA -0.079 4.261 4.340 0.001 0.000 0.209 60 L C 2.289 179.151 176.870 -0.014 0.000 1.071 60 L CA 2.221 57.050 54.840 -0.018 0.000 0.746 60 L CB -0.889 41.167 42.059 -0.005 0.000 0.890 60 L HN 0.216 nan 8.230 nan 0.000 0.432 61 A N -1.136 121.684 122.820 0.000 0.000 1.978 61 A HA -0.297 4.023 4.320 0.001 0.000 0.220 61 A C 2.308 179.892 177.584 0.001 0.000 1.170 61 A CA 1.904 53.952 52.037 0.019 0.000 0.636 61 A CB -0.756 18.264 19.000 0.032 0.000 0.810 61 A HN 0.712 nan 8.150 nan 0.000 0.448 62 Q N -0.287 119.494 119.800 -0.030 0.000 2.020 62 Q HA -0.257 4.083 4.340 0.001 0.000 0.202 62 Q C 1.422 177.344 176.000 -0.130 0.000 0.982 62 Q CA 2.121 57.888 55.803 -0.059 0.000 0.838 62 Q CB -0.225 28.475 28.738 -0.063 0.000 0.899 62 Q HN 0.634 nan 8.270 nan 0.000 0.423 63 D N 0.235 120.525 120.400 -0.183 0.000 2.144 63 D HA -0.117 4.523 4.640 0.001 0.000 0.199 63 D C 1.717 177.714 176.300 -0.504 0.000 0.984 63 D CA 1.371 55.124 54.000 -0.411 0.000 0.834 63 D CB -0.171 40.443 40.800 -0.310 0.000 0.955 63 D HN 0.433 nan 8.370 nan 0.000 0.465 64 A N 0.884 123.623 122.820 -0.136 0.000 1.877 64 A HA -0.217 4.103 4.320 0.001 0.000 0.216 64 A C 2.007 179.679 177.584 0.146 0.000 1.186 64 A CA 1.382 53.456 52.037 0.062 0.000 0.620 64 A CB -0.534 18.516 19.000 0.082 0.000 0.822 64 A HN 0.134 nan 8.150 nan 0.000 0.443 65 N N 0.288 119.058 118.700 0.116 0.000 2.166 65 N HA -0.153 4.587 4.740 0.001 0.000 0.186 65 N C 1.195 176.777 175.510 0.119 0.000 1.019 65 N CA 1.744 54.910 53.050 0.194 0.000 0.856 65 N CB -0.491 38.063 38.487 0.110 0.000 0.993 65 N HN 0.500 nan 8.380 nan 0.000 0.426 66 D N -0.113 120.257 120.400 -0.049 0.000 2.104 66 D HA -0.139 4.501 4.640 0.001 0.000 0.194 66 D C 1.753 178.092 176.300 0.065 0.000 0.994 66 D CA 1.140 55.087 54.000 -0.090 0.000 0.830 66 D CB -0.241 40.388 40.800 -0.286 0.000 0.959 66 D HN 0.310 nan 8.370 nan 0.000 0.452 67 Y N -0.800 119.582 120.300 0.137 0.000 2.133 67 Y HA -0.109 4.441 4.550 0.000 0.000 0.287 67 Y C 2.170 178.436 175.900 0.611 0.000 1.134 67 Y CA 0.204 58.451 58.100 0.245 0.000 1.133 67 Y CB -1.173 37.338 38.460 0.085 0.000 0.987 67 Y HN 0.138 nan 8.280 nan 0.000 0.502 68 W N 1.754 123.303 121.300 0.415 0.000 2.331 68 W HA -0.213 4.447 4.660 0.001 0.000 0.291 68 W C 2.275 178.900 176.519 0.177 0.000 1.214 68 W CA 2.017 59.517 57.345 0.258 0.000 1.228 68 W CB -0.514 29.036 29.460 0.152 0.000 1.135 68 W HN 0.325 nan 8.180 nan 0.000 0.537 69 E N -0.744 119.605 120.200 0.248 0.000 2.216 69 E HA -0.158 4.193 4.350 0.001 0.000 0.192 69 E C 0.998 177.667 176.600 0.115 0.000 0.988 69 E CA 1.372 57.797 56.400 0.041 0.000 0.834 69 E CB -0.092 29.617 29.700 0.016 0.000 0.772 69 E HN 0.021 nan 8.360 nan 0.000 0.479 70 D N -0.144 120.424 120.400 0.280 0.000 2.339 70 D HA 0.079 4.719 4.640 0.001 0.000 0.217 70 D C 0.099 176.601 176.300 0.335 0.000 1.050 70 D CA 0.221 54.412 54.000 0.318 0.000 0.856 70 D CB 0.157 41.189 40.800 0.386 0.000 0.922 70 D HN 0.219 nan 8.370 nan 0.000 0.518 71 M N 0.584 120.313 119.600 0.214 0.000 2.243 71 M HA 0.048 4.528 4.480 0.001 0.000 0.341 71 M C 0.196 176.421 176.300 -0.126 0.000 1.130 71 M CA 0.015 55.201 55.300 -0.189 0.000 1.162 71 M CB 0.733 33.231 32.600 -0.170 0.000 1.497 71 M HN -0.256 nan 8.290 nan 0.000 0.456 72 D N 2.848 123.120 120.400 -0.213 0.000 2.359 72 D HA 0.184 4.825 4.640 0.001 0.000 0.230 72 D C -0.062 176.093 176.300 -0.241 0.000 1.118 72 D CA -0.311 53.591 54.000 -0.163 0.000 0.844 72 D CB 0.825 41.523 40.800 -0.170 0.000 1.059 72 D HN 0.386 nan 8.370 nan 0.000 0.493 73 L N 2.681 123.807 121.223 -0.161 0.000 2.628 73 L HA 0.101 4.441 4.340 0.001 0.000 0.229 73 L C 0.932 177.726 176.870 -0.127 0.000 1.137 73 L CA 0.081 54.839 54.840 -0.137 0.000 0.909 73 L CB -1.442 40.580 42.059 -0.062 0.000 1.137 73 L HN 0.343 nan 8.230 nan 0.000 0.470 74 S N -0.405 115.206 115.700 -0.147 0.000 2.568 74 S HA 0.026 4.496 4.470 0.001 0.000 0.282 74 S C 1.462 175.995 174.600 -0.112 0.000 1.338 74 S CA 0.157 58.287 58.200 -0.117 0.000 1.045 74 S CB 1.004 64.129 63.200 -0.125 0.000 0.873 74 S HN 0.390 nan 8.310 nan 0.000 0.516 75 S N 0.898 116.564 115.700 -0.056 0.000 2.515 75 S HA -0.028 4.442 4.470 0.001 0.000 0.231 75 S C 1.275 175.881 174.600 0.010 0.000 0.987 75 S CA 0.603 58.795 58.200 -0.013 0.000 0.936 75 S CB -0.366 62.838 63.200 0.006 0.000 0.766 75 S HN 0.785 nan 8.310 nan 0.000 0.528 76 S N 1.711 117.395 115.700 -0.026 0.000 2.601 76 S HA 0.237 4.707 4.470 0.001 0.000 0.244 76 S C 0.523 175.093 174.600 -0.050 0.000 1.001 76 S CA -1.015 57.183 58.200 -0.004 0.000 0.984 76 S CB -0.283 62.909 63.200 -0.014 0.000 0.842 76 S HN 0.687 nan 8.310 nan 0.000 0.474 77 R N 0.523 120.935 120.500 -0.146 0.000 2.734 77 R HA 0.189 4.530 4.340 0.001 0.000 0.266 77 R C 0.615 176.793 176.300 -0.204 0.000 1.044 77 R CA 0.687 56.581 56.100 -0.343 0.000 1.128 77 R CB -0.305 29.653 30.300 -0.570 0.000 1.010 77 R HN 0.224 nan 8.270 nan 0.000 0.461 78 T N -1.817 112.528 114.554 -0.348 0.000 3.085 78 T HA 0.199 4.549 4.350 0.001 0.000 0.264 78 T C -0.505 174.256 174.700 0.102 0.000 1.019 78 T CA -0.376 61.751 62.100 0.045 0.000 0.910 78 T CB -0.415 68.484 68.868 0.051 0.000 1.059 78 T HN 0.738 nan 8.240 nan 0.000 0.542 79 Y N -2.289 117.850 120.300 -0.268 0.000 2.774 79 Y HA 0.590 5.140 4.550 0.000 0.000 0.346 79 Y C -0.321 175.169 175.900 -0.682 0.000 1.222 79 Y CA -2.035 55.838 58.100 -0.378 0.000 1.088 79 Y CB -0.120 38.314 38.460 -0.044 0.000 1.354 79 Y HN -0.197 nan 8.280 nan 0.000 0.455 80 I N -0.591 119.810 120.570 -0.282 0.000 2.556 80 I HA 0.060 4.230 4.170 0.001 0.000 0.251 80 I C -0.018 175.819 176.117 -0.466 0.000 1.105 80 I CA 0.750 61.710 61.300 -0.567 0.000 1.436 80 I CB -0.160 37.415 38.000 -0.709 0.000 1.139 80 I HN 0.530 nan 8.210 nan 0.000 0.438 81 W N -0.006 121.331 121.300 0.062 0.000 2.683 81 W HA 0.169 4.829 4.660 0.000 0.000 0.329 81 W C 0.958 177.287 176.519 -0.316 0.000 1.037 81 W CA -1.172 56.159 57.345 -0.023 0.000 1.232 81 W CB 0.889 30.309 29.460 -0.067 0.000 1.390 81 W HN 0.011 nan 8.180 nan 0.000 0.465 82 Y N 3.423 123.447 120.300 -0.460 0.000 2.114 82 Y HA -0.314 4.236 4.550 0.000 0.000 0.282 82 Y C 2.098 177.752 175.900 -0.411 0.000 1.165 82 Y CA 3.279 60.813 58.100 -0.944 0.000 1.148 82 Y CB -0.455 37.718 38.460 -0.478 0.000 0.972 82 Y HN 0.429 nan 8.280 nan 0.000 0.504 83 A N -0.236 122.436 122.820 -0.246 0.000 2.070 83 A HA -0.084 4.236 4.320 0.001 0.000 0.220 83 A C 1.837 179.281 177.584 -0.235 0.000 1.159 83 A CA 1.698 53.582 52.037 -0.256 0.000 0.656 83 A CB -0.849 18.105 19.000 -0.077 0.000 0.800 83 A HN 0.533 nan 8.150 nan 0.000 0.453 84 L N 0.129 121.259 121.223 -0.154 0.000 2.910 84 L HA 0.154 4.494 4.340 0.001 0.000 0.252 84 L C 0.714 177.552 176.870 -0.054 0.000 1.195 84 L CA -0.585 54.203 54.840 -0.087 0.000 1.003 84 L CB -0.125 41.927 42.059 -0.010 0.000 1.328 84 L HN 0.430 nan 8.230 nan 0.000 0.540 85 R N 0.592 120.995 120.500 -0.162 0.000 2.734 85 R HA 0.420 4.760 4.340 0.001 0.000 0.266 85 R C 0.162 176.486 176.300 0.041 0.000 1.044 85 R CA 0.522 56.602 56.100 -0.034 0.000 1.128 85 R CB 0.122 30.339 30.300 -0.140 0.000 1.010 85 R HN 0.101 nan 8.270 nan 0.000 0.461 86 G N 2.018 110.909 108.800 0.151 0.000 2.403 86 G HA2 -0.145 3.815 3.960 0.001 0.000 0.393 86 G HA3 -0.145 3.815 3.960 0.001 0.000 0.393 86 G C -0.305 174.716 174.900 0.202 0.000 1.106 86 G CA -0.517 44.673 45.100 0.149 0.000 1.305 86 G HN 0.662 nan 8.290 nan 0.000 0.628 87 N N 0.263 119.108 118.700 0.241 0.000 2.430 87 N HA -0.080 4.661 4.740 0.001 0.000 0.186 87 N C 2.056 177.753 175.510 0.312 0.000 1.032 87 N CA 1.488 54.699 53.050 0.268 0.000 0.893 87 N CB 0.209 38.810 38.487 0.191 0.000 0.957 87 N HN 0.810 nan 8.380 nan 0.000 0.442 88 G N -0.567 108.399 108.800 0.277 0.000 3.044 88 G HA2 -0.003 3.957 3.960 0.001 0.000 0.223 88 G HA3 -0.003 3.957 3.960 0.001 0.000 0.223 88 G C 0.131 175.279 174.900 0.412 0.000 1.123 88 G CA -0.114 45.191 45.100 0.342 0.000 0.765 88 G HN 0.113 nan 8.290 nan 0.000 0.546 89 T N 1.952 116.669 114.554 0.271 0.000 2.863 89 T HA 0.287 4.637 4.350 0.001 0.000 0.299 89 T C 1.851 176.563 174.700 0.019 0.000 0.973 89 T CA 0.366 62.568 62.100 0.169 0.000 0.994 89 T CB 1.290 70.212 68.868 0.089 0.000 0.961 89 T HN 0.289 nan 8.240 nan 0.000 0.552 90 S N 2.763 118.420 115.700 -0.072 0.000 2.387 90 S HA -0.227 4.243 4.470 0.001 0.000 0.230 90 S C 1.398 175.549 174.600 -0.748 0.000 1.035 90 S CA 1.450 59.241 58.200 -0.682 0.000 1.014 90 S CB -0.332 62.377 63.200 -0.819 0.000 0.836 90 S HN 0.587 nan 8.310 nan 0.000 0.466 91 D N 2.069 122.191 120.400 -0.464 0.000 2.092 91 D HA -0.071 4.569 4.640 0.001 0.000 0.193 91 D C 2.013 178.052 176.300 -0.436 0.000 0.994 91 D CA 1.646 55.337 54.000 -0.515 0.000 0.828 91 D CB -0.584 40.118 40.800 -0.163 0.000 0.963 91 D HN 0.665 nan 8.370 nan 0.000 0.450 92 N N -0.446 118.104 118.700 -0.251 0.000 2.142 92 N HA -0.095 4.646 4.740 0.001 0.000 0.186 92 N C 1.816 177.235 175.510 -0.150 0.000 1.023 92 N CA 0.592 53.542 53.050 -0.166 0.000 0.852 92 N CB 0.203 38.648 38.487 -0.071 0.000 0.998 92 N HN -0.015 nan 8.380 nan 0.000 0.424 93 V N 1.852 121.668 119.914 -0.163 0.000 2.343 93 V HA -0.247 3.873 4.120 0.001 0.000 0.247 93 V C 2.152 178.168 176.094 -0.130 0.000 1.051 93 V CA 1.454 63.716 62.300 -0.064 0.000 1.036 93 V CB -0.730 31.050 31.823 -0.072 0.000 0.654 93 V HN 0.459 nan 8.190 nan 0.000 0.451 94 N N 0.519 118.962 118.700 -0.428 0.000 2.120 94 N HA -0.192 4.548 4.740 0.001 0.000 0.188 94 N C 1.872 177.230 175.510 -0.253 0.000 1.024 94 N CA 1.643 54.435 53.050 -0.430 0.000 0.852 94 N CB -0.013 38.044 38.487 -0.718 0.000 1.003 94 N HN 0.472 nan 8.380 nan 0.000 0.424 95 A N 0.772 123.426 122.820 -0.277 0.000 1.930 95 A HA -0.044 4.277 4.320 0.001 0.000 0.217 95 A C 2.475 179.924 177.584 -0.225 0.000 1.175 95 A CA 1.060 52.942 52.037 -0.259 0.000 0.627 95 A CB -0.669 18.168 19.000 -0.271 0.000 0.815 95 A HN 0.197 nan 8.150 nan 0.000 0.443 96 V N -1.481 118.373 119.914 -0.100 0.000 2.295 96 V HA -0.293 3.828 4.120 0.001 0.000 0.246 96 V C 2.351 178.426 176.094 -0.032 0.000 1.049 96 V CA 2.054 64.367 62.300 0.023 0.000 1.024 96 V CB -1.045 30.852 31.823 0.123 0.000 0.648 96 V HN 0.667 nan 8.190 nan 0.000 0.447 97 Y N 0.584 120.819 120.300 -0.110 0.000 2.293 97 Y HA -0.151 4.399 4.550 0.000 0.000 0.291 97 Y C 2.557 178.368 175.900 -0.149 0.000 1.137 97 Y CA 1.503 59.527 58.100 -0.127 0.000 1.202 97 Y CB -0.247 38.087 38.460 -0.209 0.000 0.990 97 Y HN 0.354 nan 8.280 nan 0.000 0.537 98 E N -0.257 119.905 120.200 -0.064 0.000 2.072 98 E HA -0.192 4.158 4.350 0.001 0.000 0.191 98 E C 2.239 178.716 176.600 -0.204 0.000 0.985 98 E CA 0.835 57.156 56.400 -0.131 0.000 0.801 98 E CB -0.133 29.456 29.700 -0.185 0.000 0.750 98 E HN 0.459 nan 8.360 nan 0.000 0.452 99 R N 0.491 120.765 120.500 -0.377 0.000 2.081 99 R HA -0.082 4.258 4.340 0.001 0.000 0.235 99 R C 2.491 178.653 176.300 -0.230 0.000 1.131 99 R CA 0.897 56.603 56.100 -0.657 0.000 0.960 99 R CB -0.294 29.162 30.300 -1.406 0.000 0.856 99 R HN 0.181 nan 8.270 nan 0.000 0.436 100 L N 0.117 121.306 121.223 -0.057 0.000 2.131 100 L HA -0.160 4.180 4.340 0.001 0.000 0.210 100 L C 2.772 179.635 176.870 -0.012 0.000 1.092 100 L CA 1.183 56.033 54.840 0.016 0.000 0.759 100 L CB -0.388 41.637 42.059 -0.056 0.000 0.903 100 L HN 0.197 nan 8.230 nan 0.000 0.435 101 R N -0.198 120.290 120.500 -0.021 0.000 2.066 101 R HA -0.150 4.190 4.340 0.001 0.000 0.232 101 R C 2.221 178.527 176.300 0.009 0.000 1.131 101 R CA 1.980 58.081 56.100 0.002 0.000 0.955 101 R CB -0.281 30.022 30.300 0.005 0.000 0.851 101 R HN 0.190 nan 8.270 nan 0.000 0.432 102 T N 1.150 115.710 114.554 0.010 0.000 2.720 102 T HA -0.165 4.185 4.350 0.001 0.000 0.268 102 T C 1.800 176.543 174.700 0.071 0.000 1.037 102 T CA 1.873 64.007 62.100 0.056 0.000 1.144 102 T CB -0.110 68.842 68.868 0.140 0.000 0.864 102 T HN 0.270 nan 8.240 nan 0.000 0.444 103 M N 0.761 120.410 119.600 0.080 0.000 2.159 103 M HA -0.019 4.462 4.480 0.001 0.000 0.263 103 M C 2.779 179.063 176.300 -0.027 0.000 1.063 103 M CA 1.454 56.780 55.300 0.044 0.000 1.110 103 M CB -0.395 32.233 32.600 0.047 0.000 1.374 103 M HN 0.292 nan 8.290 nan 0.000 0.411 104 A N 0.407 123.215 122.820 -0.021 0.000 1.930 104 A HA -0.098 4.222 4.320 0.001 0.000 0.217 104 A C 2.108 179.689 177.584 -0.004 0.000 1.175 104 A CA 1.269 53.290 52.037 -0.027 0.000 0.627 104 A CB -0.860 18.136 19.000 -0.007 0.000 0.815 104 A HN 0.438 nan 8.150 nan 0.000 0.443 105 L N -0.789 120.442 121.223 0.013 0.000 2.046 105 L HA -0.203 4.137 4.340 0.001 0.000 0.208 105 L C 3.065 179.955 176.870 0.033 0.000 1.077 105 L CA 1.094 55.948 54.840 0.023 0.000 0.747 105 L CB -0.489 41.580 42.059 0.018 0.000 0.896 105 L HN 0.439 nan 8.230 nan 0.000 0.432 106 A N -0.250 122.585 122.820 0.025 0.000 2.019 106 A HA -0.085 4.235 4.320 0.001 0.000 0.219 106 A C 2.300 179.907 177.584 0.039 0.000 1.164 106 A CA 1.576 53.634 52.037 0.035 0.000 0.644 106 A CB -0.495 18.521 19.000 0.028 0.000 0.805 106 A HN 0.409 nan 8.150 nan 0.000 0.449 107 A N -0.897 121.916 122.820 -0.011 0.000 2.251 107 A HA 0.242 4.562 4.320 0.001 0.000 0.209 107 A C 1.709 179.242 177.584 -0.085 0.000 1.187 107 A CA 1.575 53.573 52.037 -0.065 0.000 0.823 107 A CB -0.424 18.494 19.000 -0.136 0.000 0.846 107 A HN 0.725 nan 8.150 nan 0.000 0.486 108 T N -4.882 109.696 114.554 0.041 0.000 3.111 108 T HA 0.200 4.551 4.350 0.001 0.000 0.284 108 T C 0.186 175.074 174.700 0.314 0.000 0.983 108 T CA 0.140 62.304 62.100 0.107 0.000 0.900 108 T CB -0.001 68.902 68.868 0.059 0.000 1.132 108 T HN 0.013 nan 8.240 nan 0.000 0.531 109 T N 3.132 117.858 114.554 0.286 0.000 2.733 109 T HA 0.505 4.855 4.350 0.001 0.000 0.294 109 T C 0.225 174.969 174.700 0.074 0.000 0.956 109 T CA -0.368 61.826 62.100 0.157 0.000 0.987 109 T CB 1.268 70.177 68.868 0.068 0.000 0.920 109 T HN 0.171 nan 8.240 nan 0.000 0.470 110 V N 3.846 123.674 119.914 -0.143 0.000 2.584 110 V HA 0.314 4.435 4.120 0.001 0.000 0.303 110 V C 1.618 177.576 176.094 -0.227 0.000 1.035 110 V CA 1.626 63.666 62.300 -0.434 0.000 1.172 110 V CB 0.035 31.660 31.823 -0.329 0.000 0.896 110 V HN 1.260 nan 8.190 nan 0.000 0.486 111 G N 3.675 112.338 108.800 -0.228 0.000 2.259 111 G HA2 -0.239 3.721 3.960 0.001 0.000 0.217 111 G HA3 -0.239 3.721 3.960 0.001 0.000 0.217 111 G C 0.540 175.418 174.900 -0.037 0.000 1.001 111 G CA 0.179 45.215 45.100 -0.106 0.000 0.627 111 G HN 1.029 nan 8.290 nan 0.000 0.501 112 S N 0.964 116.667 115.700 0.005 0.000 2.562 112 S HA 0.475 4.945 4.470 0.001 0.000 0.281 112 S C 1.861 176.516 174.600 0.091 0.000 1.333 112 S CA 0.947 59.183 58.200 0.059 0.000 1.052 112 S CB 1.029 64.288 63.200 0.098 0.000 0.884 112 S HN 1.464 nan 8.310 nan 0.000 0.506 113 S N 4.398 120.142 115.700 0.072 0.000 2.555 113 S HA 0.083 4.553 4.470 0.001 0.000 0.230 113 S C 1.112 175.777 174.600 0.109 0.000 0.978 113 S CA 0.336 58.584 58.200 0.081 0.000 0.934 113 S CB -0.375 62.862 63.200 0.062 0.000 0.766 113 S HN 0.727 nan 8.310 nan 0.000 0.533 114 L N -0.062 121.230 121.223 0.115 0.000 2.693 114 L HA 0.389 4.729 4.340 0.001 0.000 0.235 114 L C 0.278 177.199 176.870 0.084 0.000 1.127 114 L CA -0.551 54.347 54.840 0.098 0.000 0.914 114 L CB -0.113 41.987 42.059 0.068 0.000 1.193 114 L HN 0.292 nan 8.230 nan 0.000 0.502 115 Y N 1.605 121.911 120.300 0.010 0.000 2.805 115 Y HA 0.179 4.729 4.550 0.000 0.000 0.331 115 Y C 1.438 177.343 175.900 0.007 0.000 1.241 115 Y CA 0.867 58.969 58.100 0.004 0.000 1.546 115 Y CB 0.411 38.875 38.460 0.007 0.000 1.248 115 Y HN 0.275 nan 8.280 nan 0.000 0.559 116 G N 4.174 112.622 108.800 -0.587 0.000 2.168 116 G HA2 -0.374 3.586 3.960 0.001 0.000 0.263 116 G HA3 -0.374 3.586 3.960 0.001 0.000 0.263 116 G C 0.252 175.049 174.900 -0.172 0.000 0.977 116 G CA 0.215 45.057 45.100 -0.429 0.000 0.659 116 G HN 0.868 nan 8.290 nan 0.000 0.533 117 N N 0.924 119.556 118.700 -0.114 0.000 2.429 117 N HA 0.366 5.107 4.740 0.001 0.000 0.271 117 N C 1.634 177.098 175.510 -0.076 0.000 1.272 117 N CA 0.846 53.867 53.050 -0.049 0.000 0.921 117 N CB 0.772 39.244 38.487 -0.025 0.000 1.128 117 N HN 0.482 nan 8.380 nan 0.000 0.481 118 A N 4.495 127.298 122.820 -0.029 0.000 1.877 118 A HA -0.169 4.152 4.320 0.001 0.000 0.216 118 A C 1.639 179.216 177.584 -0.012 0.000 1.186 118 A CA 1.400 53.422 52.037 -0.026 0.000 0.620 118 A CB -0.178 18.823 19.000 0.000 0.000 0.822 118 A HN 0.739 nan 8.150 nan 0.000 0.443 119 D N -0.342 120.093 120.400 0.058 0.000 2.117 119 D HA -0.146 4.494 4.640 0.001 0.000 0.197 119 D C 1.893 178.203 176.300 0.016 0.000 0.987 119 D CA 1.500 55.586 54.000 0.142 0.000 0.829 119 D CB -0.451 40.554 40.800 0.342 0.000 0.961 119 D HN 0.369 nan 8.370 nan 0.000 0.460 120 L N 1.545 122.579 121.223 -0.315 0.000 2.012 120 L HA -0.175 4.166 4.340 0.001 0.000 0.210 120 L C 1.999 178.579 176.870 -0.484 0.000 1.073 120 L CA 1.797 56.061 54.840 -0.960 0.000 0.748 120 L CB -0.344 41.053 42.059 -1.104 0.000 0.891 120 L HN -0.149 nan 8.230 nan 0.000 0.431 121 K N -0.689 119.548 120.400 -0.271 0.000 2.032 121 K HA -0.235 4.085 4.320 0.001 0.000 0.209 121 K C 2.103 178.639 176.600 -0.107 0.000 1.048 121 K CA 1.589 57.777 56.287 -0.164 0.000 0.927 121 K CB -0.201 32.232 32.500 -0.111 0.000 0.712 121 K HN 0.275 nan 8.250 nan 0.000 0.441 122 E N 1.518 121.676 120.200 -0.071 0.000 2.106 122 E HA -0.172 4.178 4.350 0.001 0.000 0.192 122 E C 1.357 177.946 176.600 -0.020 0.000 0.984 122 E CA 1.501 57.888 56.400 -0.021 0.000 0.806 122 E CB -0.136 29.570 29.700 0.009 0.000 0.750 122 E HN 0.142 nan 8.360 nan 0.000 0.458 123 D N -0.236 120.142 120.400 -0.038 0.000 2.178 123 D HA -0.110 4.531 4.640 0.001 0.000 0.201 123 D C 1.946 178.196 176.300 -0.084 0.000 0.980 123 D CA 0.851 54.839 54.000 -0.021 0.000 0.842 123 D CB -0.098 40.741 40.800 0.065 0.000 0.948 123 D HN 0.320 nan 8.370 nan 0.000 0.472 124 I N 0.293 120.785 120.570 -0.130 0.000 2.163 124 I HA -0.208 3.963 4.170 0.001 0.000 0.240 124 I C 2.336 178.410 176.117 -0.072 0.000 1.081 124 I CA 0.669 61.897 61.300 -0.119 0.000 1.353 124 I CB -0.146 37.777 38.000 -0.128 0.000 1.054 124 I HN -0.023 nan 8.210 nan 0.000 0.407 125 L N 0.213 121.421 121.223 -0.026 0.000 2.083 125 L HA -0.221 4.119 4.340 0.001 0.000 0.209 125 L C 2.072 178.998 176.870 0.093 0.000 1.083 125 L CA 1.170 56.043 54.840 0.055 0.000 0.752 125 L CB -0.751 41.363 42.059 0.091 0.000 0.899 125 L HN 0.294 nan 8.230 nan 0.000 0.433 126 D N 0.285 120.718 120.400 0.054 0.000 2.178 126 D HA -0.116 4.524 4.640 0.001 0.000 0.202 126 D C 2.217 178.573 176.300 0.092 0.000 0.974 126 D CA 1.369 55.417 54.000 0.080 0.000 0.841 126 D CB 0.147 40.974 40.800 0.044 0.000 0.953 126 D HN 0.303 nan 8.370 nan 0.000 0.478 127 A N 0.827 123.650 122.820 0.005 0.000 1.898 127 A HA -0.102 4.218 4.320 0.001 0.000 0.216 127 A C 2.394 180.010 177.584 0.053 0.000 1.181 127 A CA 0.772 52.788 52.037 -0.035 0.000 0.620 127 A CB -0.721 18.171 19.000 -0.180 0.000 0.819 127 A HN 0.186 nan 8.150 nan 0.000 0.442 128 L N -0.383 120.839 121.223 -0.001 0.000 2.083 128 L HA -0.197 4.143 4.340 0.001 0.000 0.209 128 L C 2.052 179.086 176.870 0.274 0.000 1.083 128 L CA 1.437 56.276 54.840 -0.002 0.000 0.752 128 L CB -0.764 41.122 42.059 -0.289 0.000 0.899 128 L HN 0.323 nan 8.230 nan 0.000 0.433 129 D N -0.779 119.818 120.400 0.329 0.000 2.117 129 D HA -0.231 4.409 4.640 0.001 0.000 0.197 129 D C 1.740 178.252 176.300 0.354 0.000 0.987 129 D CA 1.152 55.382 54.000 0.383 0.000 0.829 129 D CB -0.289 40.676 40.800 0.275 0.000 0.961 129 D HN 0.411 nan 8.370 nan 0.000 0.460 130 W N 1.479 122.852 121.300 0.122 0.000 2.355 130 W HA -0.087 4.574 4.660 0.000 0.000 0.309 130 W C 2.062 178.641 176.519 0.101 0.000 1.206 130 W CA 1.024 58.413 57.345 0.073 0.000 1.284 130 W CB -0.344 29.119 29.460 0.006 0.000 1.145 130 W HN -0.107 nan 8.180 nan 0.000 0.502 131 L N -0.338 121.134 121.223 0.416 0.000 2.083 131 L HA -0.254 4.087 4.340 0.001 0.000 0.209 131 L C 2.445 179.470 176.870 0.258 0.000 1.083 131 L CA 1.596 56.629 54.840 0.322 0.000 0.752 131 L CB -1.212 41.031 42.059 0.307 0.000 0.899 131 L HN 0.134 nan 8.230 nan 0.000 0.433 132 Y N 0.217 120.636 120.300 0.198 0.000 2.163 132 Y HA -0.196 4.354 4.550 0.001 0.000 0.288 132 Y C 2.307 178.221 175.900 0.022 0.000 1.136 132 Y CA 1.580 59.791 58.100 0.185 0.000 1.147 132 Y CB -0.470 38.129 38.460 0.232 0.000 0.987 132 Y HN -0.146 nan 8.280 nan 0.000 0.509 133 V N 1.042 120.762 119.914 -0.323 0.000 2.427 133 V HA -0.264 3.856 4.120 0.001 0.000 0.248 133 V C 1.143 176.955 176.094 -0.470 0.000 1.051 133 V CA 2.323 64.328 62.300 -0.491 0.000 1.048 133 V CB -0.669 30.971 31.823 -0.304 0.000 0.666 133 V HN 0.473 nan 8.190 nan 0.000 0.456 134 N N -1.656 116.705 118.700 -0.565 0.000 2.220 134 N HA 0.072 4.812 4.740 0.001 0.000 0.195 134 N C 1.414 176.737 175.510 -0.312 0.000 1.123 134 N CA 0.709 53.416 53.050 -0.571 0.000 0.874 134 N CB 0.940 38.774 38.487 -1.089 0.000 0.995 134 N HN 0.343 nan 8.380 nan 0.000 0.498 135 S N -1.190 114.426 115.700 -0.140 0.000 3.792 135 S HA 0.158 4.629 4.470 0.001 0.000 0.229 135 S C -0.784 173.971 174.600 0.258 0.000 1.118 135 S CA -0.509 57.754 58.200 0.105 0.000 0.877 135 S CB -0.323 63.028 63.200 0.251 0.000 1.077 135 S HN 0.237 nan 8.310 nan 0.000 0.546 136 Y N 5.078 125.508 120.300 0.216 0.000 2.676 136 Y HA 0.521 5.071 4.550 0.000 0.000 0.338 136 Y C -0.097 175.997 175.900 0.323 0.000 1.057 136 Y CA -0.316 57.959 58.100 0.291 0.000 1.314 136 Y CB -0.105 38.554 38.460 0.332 0.000 1.164 136 Y HN 0.529 nan 8.280 nan 0.000 0.509 137 N N 0.401 119.111 118.700 0.017 0.000 3.039 137 N HA 0.103 4.844 4.740 0.001 0.000 0.257 137 N C -0.383 174.989 175.510 -0.230 0.000 1.497 137 N CA -0.847 52.169 53.050 -0.056 0.000 0.861 137 N CB 1.260 39.603 38.487 -0.239 0.000 1.479 137 N HN 0.186 nan 8.380 nan 0.000 0.547 138 S N -0.415 114.997 115.700 -0.479 0.000 2.547 138 S HA -0.107 4.364 4.470 0.001 0.000 0.235 138 S C 1.672 175.774 174.600 -0.831 0.000 0.980 138 S CA 1.462 58.962 58.200 -1.167 0.000 0.941 138 S CB -0.637 61.934 63.200 -1.048 0.000 0.763 138 S HN 0.756 nan 8.310 nan 0.000 0.532 139 T N -0.320 113.975 114.554 -0.432 0.000 3.088 139 T HA 0.168 4.518 4.350 0.001 0.000 0.259 139 T C 0.646 175.226 174.700 -0.200 0.000 1.122 139 T CA -0.093 61.837 62.100 -0.284 0.000 1.095 139 T CB 0.042 68.781 68.868 -0.216 0.000 0.930 139 T HN 0.186 nan 8.240 nan 0.000 0.508 140 R N 1.528 121.921 120.500 -0.179 0.000 2.500 140 R HA 0.543 4.883 4.340 0.001 0.000 0.277 140 R C 0.104 176.380 176.300 -0.042 0.000 1.026 140 R CA -0.469 55.561 56.100 -0.118 0.000 1.058 140 R CB 1.169 31.374 30.300 -0.157 0.000 1.078 140 R HN 0.206 nan 8.270 nan 0.000 0.509 141 S N 0.676 116.341 115.700 -0.059 0.000 2.562 141 S HA 0.039 4.509 4.470 0.001 0.000 0.281 141 S C 1.108 175.731 174.600 0.037 0.000 1.333 141 S CA -0.274 57.922 58.200 -0.007 0.000 1.052 141 S CB 0.662 63.861 63.200 -0.001 0.000 0.884 141 S HN 0.542 nan 8.310 nan 0.000 0.506 142 R N 1.824 122.330 120.500 0.010 0.000 2.189 142 R HA -0.006 4.334 4.340 0.001 0.000 0.218 142 R C 1.822 178.277 176.300 0.258 0.000 1.074 142 R CA 1.293 57.466 56.100 0.121 0.000 0.991 142 R CB -0.163 30.048 30.300 -0.149 0.000 0.883 142 R HN 0.763 nan 8.270 nan 0.000 0.457 143 S N -0.350 115.452 115.700 0.171 0.000 2.557 143 S HA 0.307 4.778 4.470 0.001 0.000 0.223 143 S C 0.679 175.461 174.600 0.303 0.000 0.969 143 S CA -0.474 57.865 58.200 0.231 0.000 0.927 143 S CB 0.574 63.835 63.200 0.102 0.000 0.806 143 S HN 0.220 nan 8.310 nan 0.000 0.489 144 A N 1.635 124.615 122.820 0.266 0.000 2.445 144 A HA 0.414 4.734 4.320 0.001 0.000 0.242 144 A C -0.212 177.720 177.584 0.581 0.000 1.075 144 A CA -0.334 51.893 52.037 0.318 0.000 0.777 144 A CB -0.297 18.789 19.000 0.143 0.000 1.013 144 A HN 0.547 nan 8.150 nan 0.000 0.493 145 Y N 1.859 122.404 120.300 0.408 0.000 2.620 145 Y HA 0.083 4.633 4.550 0.001 0.000 0.330 145 Y C 0.732 176.915 175.900 0.470 0.000 1.186 145 Y CA 0.776 59.107 58.100 0.384 0.000 1.467 145 Y CB 0.324 38.935 38.460 0.251 0.000 1.262 145 Y HN 0.760 nan 8.280 nan 0.000 0.550 146 N N 7.039 125.575 118.700 -0.274 0.000 2.437 146 N HA 0.046 4.786 4.740 0.001 0.000 0.259 146 N C 1.128 176.506 175.510 -0.219 0.000 0.983 146 N CA -0.699 51.916 53.050 -0.726 0.000 0.937 146 N CB 0.338 38.127 38.487 -1.164 0.000 1.122 146 N HN 0.925 nan 8.380 nan 0.000 0.499 147 W N 4.237 125.594 121.300 0.094 0.000 2.308 147 W HA -0.211 4.449 4.660 0.000 0.000 0.301 147 W C 1.005 177.559 176.519 0.059 0.000 1.220 147 W CA 0.348 57.823 57.345 0.216 0.000 1.240 147 W CB -0.969 28.603 29.460 0.187 0.000 1.142 147 W HN 0.686 nan 8.180 nan 0.000 0.521 148 W N 2.135 122.472 121.300 -1.605 0.000 2.338 148 W HA -0.223 4.438 4.660 0.001 0.000 0.304 148 W C 2.705 178.681 176.519 -0.906 0.000 1.212 148 W CA 3.202 59.581 57.345 -1.611 0.000 1.264 148 W CB -0.970 27.581 29.460 -1.515 0.000 1.142 148 W HN 0.022 nan 8.180 nan 0.000 0.512 149 H N -2.554 116.203 119.070 -0.522 0.000 2.299 149 H HA -0.176 4.381 4.556 0.000 0.000 0.302 149 H C 1.930 176.821 175.328 -0.728 0.000 1.078 149 H CA 2.123 57.772 56.048 -0.665 0.000 1.323 149 H CB -0.910 28.367 29.762 -0.809 0.000 1.381 149 H HN 0.192 nan 8.280 nan 0.000 0.498 150 W N 1.207 122.366 121.300 -0.234 0.000 2.358 150 W HA -0.148 4.512 4.660 0.000 0.000 0.303 150 W C 2.287 178.581 176.519 -0.375 0.000 1.208 150 W CA 0.738 57.884 57.345 -0.331 0.000 1.274 150 W CB 0.028 29.421 29.460 -0.112 0.000 1.138 150 W HN 0.262 nan 8.180 nan 0.000 0.515 151 Q N -0.702 119.106 119.800 0.013 0.000 2.339 151 Q HA 0.082 4.422 4.340 0.001 0.000 0.205 151 Q C 1.919 177.784 176.000 -0.225 0.000 0.925 151 Q CA 0.759 56.590 55.803 0.047 0.000 0.898 151 Q CB 0.133 29.034 28.738 0.273 0.000 1.013 151 Q HN 0.388 nan 8.270 nan 0.000 0.504 152 L N -1.799 119.032 121.223 -0.653 0.000 2.614 152 L HA 0.283 4.623 4.340 0.001 0.000 0.185 152 L C 2.242 178.460 176.870 -1.088 0.000 1.098 152 L CA 0.568 54.851 54.840 -0.927 0.000 0.852 152 L CB -0.678 40.511 42.059 -1.449 0.000 1.213 152 L HN 0.163 nan 8.230 nan 0.000 0.491 153 G N 1.184 109.050 108.800 -1.556 0.000 2.514 153 G HA2 -0.230 3.730 3.960 0.001 0.000 0.217 153 G HA3 -0.230 3.730 3.960 0.001 0.000 0.217 153 G C 1.527 176.075 174.900 -0.586 0.000 1.198 153 G CA 1.119 45.619 45.100 -1.000 0.000 0.780 153 G HN 0.192 nan 8.290 nan 0.000 0.565 154 I N 1.530 121.703 120.570 -0.661 0.000 2.179 154 I HA -0.097 4.073 4.170 0.001 0.000 0.242 154 I C -0.167 175.568 176.117 -0.637 0.000 1.088 154 I CA 0.960 61.768 61.300 -0.820 0.000 1.357 154 I CB -0.813 36.385 38.000 -1.336 0.000 1.051 154 I HN 0.167 nan 8.210 nan 0.000 0.409 155 P HA -0.163 nan 4.420 nan 0.000 0.216 155 P C 1.892 179.090 177.300 -0.171 0.000 1.150 155 P CA 1.602 64.574 63.100 -0.215 0.000 0.837 155 P CB -0.036 31.596 31.700 -0.113 0.000 0.786 156 M N -1.443 118.029 119.600 -0.215 0.000 2.159 156 M HA -0.134 4.346 4.480 0.001 0.000 0.263 156 M C 2.071 178.345 176.300 -0.042 0.000 1.063 156 M CA 1.706 56.944 55.300 -0.105 0.000 1.110 156 M CB -0.738 31.794 32.600 -0.114 0.000 1.374 156 M HN -0.073 nan 8.290 nan 0.000 0.411 157 S N 0.751 116.391 115.700 -0.100 0.000 2.357 157 S HA -0.084 4.386 4.470 0.001 0.000 0.221 157 S C 1.718 176.333 174.600 0.024 0.000 1.031 157 S CA 0.895 59.081 58.200 -0.023 0.000 0.982 157 S CB -0.306 62.877 63.200 -0.029 0.000 0.853 157 S HN 0.313 nan 8.310 nan 0.000 0.458 158 L N 2.828 124.038 121.223 -0.023 0.000 2.046 158 L HA -0.044 4.297 4.340 0.001 0.000 0.208 158 L C 1.738 178.634 176.870 0.043 0.000 1.077 158 L CA 1.649 56.508 54.840 0.031 0.000 0.747 158 L CB -0.965 41.086 42.059 -0.013 0.000 0.896 158 L HN 0.138 nan 8.230 nan 0.000 0.432 159 N N 0.094 118.812 118.700 0.030 0.000 2.069 159 N HA -0.189 4.552 4.740 0.001 0.000 0.191 159 N C 1.514 177.089 175.510 0.108 0.000 1.031 159 N CA 1.641 54.718 53.050 0.044 0.000 0.852 159 N CB -0.377 38.096 38.487 -0.023 0.000 1.018 159 N HN 0.407 nan 8.380 nan 0.000 0.423 160 D N 0.424 120.917 120.400 0.156 0.000 2.117 160 D HA -0.078 4.563 4.640 0.001 0.000 0.197 160 D C 2.127 178.528 176.300 0.167 0.000 0.987 160 D CA 0.505 54.652 54.000 0.245 0.000 0.829 160 D CB -0.401 40.535 40.800 0.226 0.000 0.961 160 D HN 0.083 nan 8.370 nan 0.000 0.460 161 I N 1.028 121.661 120.570 0.105 0.000 2.226 161 I HA -0.180 3.990 4.170 0.001 0.000 0.245 161 I C 2.677 178.852 176.117 0.097 0.000 1.100 161 I CA 0.923 62.264 61.300 0.069 0.000 1.374 161 I CB -1.396 36.611 38.000 0.012 0.000 1.057 161 I HN 0.180 nan 8.210 nan 0.000 0.413 162 A N -0.045 122.848 122.820 0.120 0.000 1.933 162 A HA -0.148 4.172 4.320 0.001 0.000 0.218 162 A C 2.492 180.225 177.584 0.249 0.000 1.175 162 A CA 1.938 54.090 52.037 0.192 0.000 0.628 162 A CB -0.784 18.341 19.000 0.210 0.000 0.814 162 A HN 0.400 nan 8.150 nan 0.000 0.444 163 V N -0.091 119.953 119.914 0.217 0.000 2.323 163 V HA -0.197 3.923 4.120 0.001 0.000 0.244 163 V C 2.535 178.756 176.094 0.211 0.000 1.041 163 V CA 1.759 64.192 62.300 0.222 0.000 1.025 163 V CB -0.677 31.318 31.823 0.288 0.000 0.656 163 V HN 0.566 nan 8.190 nan 0.000 0.451 164 L N -0.559 120.770 121.223 0.175 0.000 2.046 164 L HA -0.116 4.225 4.340 0.001 0.000 0.208 164 L C 1.793 178.732 176.870 0.114 0.000 1.077 164 L CA 1.488 56.404 54.840 0.126 0.000 0.747 164 L CB -0.310 41.802 42.059 0.088 0.000 0.896 164 L HN 0.293 nan 8.230 nan 0.000 0.432 165 L N -2.090 119.206 121.223 0.122 0.000 2.818 165 L HA 0.030 4.370 4.340 0.001 0.000 0.243 165 L C 1.747 178.699 176.870 0.136 0.000 1.185 165 L CA -0.336 54.560 54.840 0.094 0.000 0.988 165 L CB -0.393 41.697 42.059 0.052 0.000 1.292 165 L HN 0.108 nan 8.230 nan 0.000 0.519 166 Y N 2.002 122.338 120.300 0.060 0.000 2.062 166 Y HA -0.380 4.170 4.550 0.000 0.000 0.276 166 Y C 2.083 178.008 175.900 0.042 0.000 1.189 166 Y CA 2.201 60.337 58.100 0.060 0.000 1.130 166 Y CB 0.057 38.556 38.460 0.066 0.000 0.959 166 Y HN 0.336 nan 8.280 nan 0.000 0.499 167 D N -0.484 119.995 120.400 0.133 0.000 2.350 167 D HA -0.112 4.529 4.640 0.001 0.000 0.216 167 D C 0.910 177.187 176.300 -0.038 0.000 0.968 167 D CA 1.521 55.538 54.000 0.029 0.000 0.894 167 D CB -0.280 40.576 40.800 0.092 0.000 0.909 167 D HN 0.592 nan 8.370 nan 0.000 0.520 168 D N -0.478 119.905 120.400 -0.028 0.000 2.398 168 D HA 0.163 4.804 4.640 0.001 0.000 0.210 168 D C 0.405 176.681 176.300 -0.039 0.000 1.094 168 D CA -0.086 53.895 54.000 -0.031 0.000 0.839 168 D CB 0.857 41.648 40.800 -0.016 0.000 0.963 168 D HN 0.172 nan 8.370 nan 0.000 0.506 169 I N 1.726 122.253 120.570 -0.072 0.000 2.315 169 I HA 0.135 4.306 4.170 0.001 0.000 0.291 169 I C 0.681 176.708 176.117 -0.150 0.000 1.006 169 I CA -0.710 60.549 61.300 -0.069 0.000 1.265 169 I CB 1.145 39.139 38.000 -0.010 0.000 1.387 169 I HN -0.052 nan 8.210 nan 0.000 0.475 170 S N 4.862 120.486 115.700 -0.127 0.000 2.600 170 S HA 0.311 4.781 4.470 0.001 0.000 0.265 170 S C 1.280 175.772 174.600 -0.179 0.000 1.325 170 S CA -0.147 57.969 58.200 -0.139 0.000 1.002 170 S CB 1.575 64.710 63.200 -0.107 0.000 0.921 170 S HN 0.721 nan 8.310 nan 0.000 0.554 171 A N 1.854 124.581 122.820 -0.154 0.000 1.908 171 A HA 0.106 4.426 4.320 0.001 0.000 0.218 171 A C 2.428 179.903 177.584 -0.181 0.000 1.181 171 A CA 1.920 53.864 52.037 -0.154 0.000 0.627 171 A CB -1.744 17.188 19.000 -0.113 0.000 0.818 171 A HN 1.363 nan 8.150 nan 0.000 0.445 172 A N -0.340 122.380 122.820 -0.167 0.000 1.883 172 A HA -0.197 4.123 4.320 0.001 0.000 0.217 172 A C 2.277 179.683 177.584 -0.297 0.000 1.186 172 A CA 1.736 53.664 52.037 -0.182 0.000 0.624 172 A CB -0.497 18.426 19.000 -0.129 0.000 0.822 172 A HN 0.548 nan 8.150 nan 0.000 0.444 173 R N -1.992 118.298 120.500 -0.351 0.000 2.070 173 R HA -0.128 4.212 4.340 0.001 0.000 0.233 173 R C 2.259 177.911 176.300 -1.080 0.000 1.137 173 R CA 1.760 57.467 56.100 -0.655 0.000 0.945 173 R CB -0.382 29.649 30.300 -0.448 0.000 0.845 173 R HN 0.526 nan 8.270 nan 0.000 0.430 174 M N 0.573 119.797 119.600 -0.626 0.000 2.202 174 M HA -0.124 4.357 4.480 0.001 0.000 0.262 174 M C 1.999 178.108 176.300 -0.319 0.000 1.063 174 M CA 1.717 56.774 55.300 -0.404 0.000 1.097 174 M CB -0.254 32.238 32.600 -0.180 0.000 1.382 174 M HN 0.191 nan 8.290 nan 0.000 0.413 175 A N -0.927 121.705 122.820 -0.314 0.000 1.902 175 A HA -0.184 4.136 4.320 0.001 0.000 0.217 175 A C 2.264 179.684 177.584 -0.272 0.000 1.181 175 A CA 2.447 54.349 52.037 -0.226 0.000 0.623 175 A CB -1.636 17.249 19.000 -0.191 0.000 0.818 175 A HN 0.678 nan 8.150 nan 0.000 0.443 176 T N -2.841 111.429 114.554 -0.474 0.000 2.833 176 T HA -0.175 4.176 4.350 0.001 0.000 0.269 176 T C 1.793 176.299 174.700 -0.323 0.000 1.054 176 T CA 1.496 63.178 62.100 -0.696 0.000 1.135 176 T CB -0.693 67.415 68.868 -1.266 0.000 0.869 176 T HN 0.618 nan 8.240 nan 0.000 0.466 177 Y N 0.714 120.900 120.300 -0.189 0.000 2.130 177 Y HA 0.040 4.591 4.550 0.001 0.000 0.287 177 Y C 3.050 178.972 175.900 0.037 0.000 1.124 177 Y CA 0.433 58.529 58.100 -0.007 0.000 1.118 177 Y CB -0.285 38.195 38.460 0.033 0.000 0.994 177 Y HN 0.096 nan 8.280 nan 0.000 0.497 178 M N 0.010 119.703 119.600 0.156 0.000 2.254 178 M HA -0.160 4.320 4.480 0.001 0.000 0.265 178 M C 1.199 177.538 176.300 0.065 0.000 1.066 178 M CA 1.270 56.628 55.300 0.096 0.000 1.123 178 M CB -0.892 31.734 32.600 0.043 0.000 1.388 178 M HN 0.257 nan 8.290 nan 0.000 0.425 179 D N 0.096 120.508 120.400 0.020 0.000 2.144 179 D HA -0.083 4.557 4.640 0.001 0.000 0.200 179 D C 1.916 178.262 176.300 0.077 0.000 0.978 179 D CA 1.336 55.347 54.000 0.018 0.000 0.833 179 D CB -0.181 40.601 40.800 -0.030 0.000 0.961 179 D HN 0.293 nan 8.370 nan 0.000 0.470 180 T N 0.926 115.548 114.554 0.113 0.000 2.777 180 T HA -0.029 4.321 4.350 0.001 0.000 0.266 180 T C 2.208 177.087 174.700 0.300 0.000 1.040 180 T CA 0.433 62.640 62.100 0.178 0.000 1.141 180 T CB -0.067 68.915 68.868 0.190 0.000 0.868 180 T HN 0.157 nan 8.240 nan 0.000 0.444 181 I N 1.141 121.877 120.570 0.275 0.000 2.286 181 I HA -0.161 4.009 4.170 0.001 0.000 0.248 181 I C 2.435 178.673 176.117 0.202 0.000 1.115 181 I CA 1.273 62.741 61.300 0.280 0.000 1.392 181 I CB -0.314 37.795 38.000 0.182 0.000 1.065 181 I HN 0.172 nan 8.210 nan 0.000 0.418 182 D N 0.076 120.555 120.400 0.132 0.000 2.178 182 D HA -0.253 4.388 4.640 0.001 0.000 0.201 182 D C 1.993 178.334 176.300 0.068 0.000 0.980 182 D CA 1.107 55.151 54.000 0.074 0.000 0.842 182 D CB -0.061 40.765 40.800 0.043 0.000 0.948 182 D HN 0.387 nan 8.370 nan 0.000 0.472 183 Y N -0.364 119.908 120.300 -0.048 0.000 2.163 183 Y HA -0.107 4.444 4.550 0.000 0.000 0.288 183 Y C 1.658 177.427 175.900 -0.218 0.000 1.136 183 Y CA 1.467 59.458 58.100 -0.183 0.000 1.147 183 Y CB -0.575 37.690 38.460 -0.325 0.000 0.987 183 Y HN -0.081 nan 8.280 nan 0.000 0.509 184 F N -0.110 119.736 119.950 -0.173 0.000 2.206 184 F HA 0.013 4.540 4.527 0.000 0.000 0.298 184 F C 0.944 176.672 175.800 -0.120 0.000 1.090 184 F CA 1.539 59.413 58.000 -0.209 0.000 1.323 184 F CB -0.281 38.745 39.000 0.044 0.000 1.028 184 F HN -0.157 nan 8.300 nan 0.000 0.492 185 T N 1.583 116.206 114.554 0.116 0.000 3.198 185 T HA 0.176 4.526 4.350 0.001 0.000 0.352 185 T C -1.982 172.732 174.700 0.024 0.000 1.197 185 T CA -0.848 61.291 62.100 0.063 0.000 1.427 185 T CB 1.491 70.409 68.868 0.083 0.000 0.983 185 T HN -0.078 nan 8.240 nan 0.000 0.560 186 P HA 0.082 nan 4.420 nan 0.000 0.235 186 P C 0.330 177.621 177.300 -0.016 0.000 1.177 186 P CA 0.235 63.326 63.100 -0.016 0.000 0.785 186 P CB 0.450 32.130 31.700 -0.033 0.000 0.885 187 S N -1.021 114.672 115.700 -0.012 0.000 2.671 187 S HA 0.594 5.064 4.470 0.001 0.000 0.277 187 S C -0.784 173.817 174.600 0.002 0.000 1.165 187 S CA -0.931 57.263 58.200 -0.010 0.000 0.822 187 S CB 0.971 64.162 63.200 -0.015 0.000 1.150 187 S HN -0.117 nan 8.310 nan 0.000 0.479 188 I N 1.408 121.978 120.570 0.000 0.000 2.328 188 I HA 0.598 4.768 4.170 0.001 0.000 0.287 188 I C 0.881 177.001 176.117 0.004 0.000 1.012 188 I CA -0.392 60.914 61.300 0.010 0.000 1.195 188 I CB 1.433 39.434 38.000 0.001 0.000 1.350 188 I HN 1.047 nan 8.210 nan 0.000 0.464 189 G N 6.156 114.961 108.800 0.010 0.000 3.738 189 G HA2 0.310 4.271 3.960 0.001 0.000 0.241 189 G HA3 0.310 4.271 3.960 0.001 0.000 0.241 189 G C 0.294 175.193 174.900 -0.002 0.000 1.068 189 G CA -0.099 44.999 45.100 -0.002 0.000 0.899 189 G HN 0.327 nan 8.290 nan 0.000 0.519 190 L N 0.830 122.065 121.223 0.020 0.000 2.855 190 L HA 0.671 5.011 4.340 0.001 0.000 0.204 190 L C 1.057 177.942 176.870 0.025 0.000 1.206 190 L CA -0.447 54.409 54.840 0.026 0.000 0.942 190 L CB 0.898 43.005 42.059 0.081 0.000 1.832 190 L HN 0.167 nan 8.230 nan 0.000 0.522 191 T N -2.929 111.645 114.554 0.032 0.000 2.916 191 T HA 0.643 4.993 4.350 0.001 0.000 0.292 191 T C 0.262 174.964 174.700 0.002 0.000 1.064 191 T CA -0.129 61.975 62.100 0.007 0.000 1.011 191 T CB 1.567 70.427 68.868 -0.013 0.000 1.152 191 T HN 1.009 nan 8.240 nan 0.000 0.510 192 G N 1.314 110.097 108.800 -0.027 0.000 2.614 192 G HA2 -0.108 3.853 3.960 0.001 0.000 0.303 192 G HA3 -0.108 3.853 3.960 0.001 0.000 0.303 192 G C 1.317 176.178 174.900 -0.066 0.000 1.270 192 G CA 1.296 46.367 45.100 -0.048 0.000 0.988 192 G HN 1.852 nan 8.290 nan 0.000 0.551 193 A N -0.547 122.190 122.820 -0.138 0.000 1.908 193 A HA 0.188 4.508 4.320 0.001 0.000 0.218 193 A C 3.072 180.529 177.584 -0.211 0.000 1.181 193 A CA 3.797 55.596 52.037 -0.396 0.000 0.627 193 A CB -1.141 17.560 19.000 -0.498 0.000 0.818 193 A HN 2.270 nan 8.150 nan 0.000 0.445 194 A N -0.489 122.447 122.820 0.194 0.000 1.908 194 A HA -0.198 4.122 4.320 0.001 0.000 0.218 194 A C 2.275 180.046 177.584 0.313 0.000 1.181 194 A CA 1.845 54.190 52.037 0.514 0.000 0.627 194 A CB -0.513 18.793 19.000 0.510 0.000 0.818 194 A HN 0.567 nan 8.150 nan 0.000 0.445 195 R N -0.533 120.052 120.500 0.141 0.000 2.075 195 R HA -0.079 4.262 4.340 0.001 0.000 0.232 195 R C 2.324 178.657 176.300 0.055 0.000 1.126 195 R CA 1.365 57.514 56.100 0.081 0.000 0.963 195 R CB -0.388 29.927 30.300 0.025 0.000 0.858 195 R HN 0.449 nan 8.270 nan 0.000 0.435 196 A N 0.498 123.313 122.820 -0.007 0.000 1.902 196 A HA -0.170 4.150 4.320 0.001 0.000 0.217 196 A C 1.837 179.452 177.584 0.052 0.000 1.181 196 A CA 1.121 53.130 52.037 -0.046 0.000 0.623 196 A CB -0.867 18.041 19.000 -0.154 0.000 0.818 196 A HN 0.514 nan 8.150 nan 0.000 0.443 197 W N 0.156 121.503 121.300 0.078 0.000 2.358 197 W HA -0.128 4.532 4.660 0.000 0.000 0.303 197 W C 2.489 178.999 176.519 -0.014 0.000 1.208 197 W CA 1.214 58.581 57.345 0.037 0.000 1.274 197 W CB -1.063 28.420 29.460 0.039 0.000 1.138 197 W HN 0.539 nan 8.180 nan 0.000 0.515 198 Q N -0.226 119.717 119.800 0.237 0.000 2.096 198 Q HA -0.154 4.186 4.340 0.001 0.000 0.204 198 Q C 2.429 178.465 176.000 0.060 0.000 0.982 198 Q CA 1.980 57.855 55.803 0.121 0.000 0.850 198 Q CB -0.525 28.280 28.738 0.111 0.000 0.901 198 Q HN 0.152 nan 8.270 nan 0.000 0.422 199 A N 0.668 123.518 122.820 0.050 0.000 1.902 199 A HA -0.192 4.128 4.320 0.001 0.000 0.217 199 A C 1.986 179.558 177.584 -0.019 0.000 1.181 199 A CA 1.263 53.300 52.037 0.000 0.000 0.623 199 A CB -0.454 18.534 19.000 -0.020 0.000 0.818 199 A HN 0.366 nan 8.150 nan 0.000 0.443 200 I N -0.750 119.830 120.570 0.018 0.000 2.439 200 I HA -0.093 4.077 4.170 0.001 0.000 0.251 200 I C 2.186 178.252 176.117 -0.085 0.000 1.139 200 I CA 0.897 62.179 61.300 -0.030 0.000 1.438 200 I CB 0.002 38.045 38.000 0.073 0.000 1.085 200 I HN 0.095 nan 8.210 nan 0.000 0.427 201 V N -0.445 119.450 119.914 -0.031 0.000 2.307 201 V HA -0.221 3.899 4.120 0.001 0.000 0.245 201 V C 2.446 178.497 176.094 -0.073 0.000 1.045 201 V CA 1.749 64.015 62.300 -0.057 0.000 1.024 201 V CB -0.436 31.366 31.823 -0.035 0.000 0.651 201 V HN 0.255 nan 8.190 nan 0.000 0.449 202 V N 0.762 120.642 119.914 -0.056 0.000 2.358 202 V HA -0.139 3.981 4.120 0.001 0.000 0.246 202 V C 2.574 178.598 176.094 -0.116 0.000 1.047 202 V CA 2.094 64.354 62.300 -0.067 0.000 1.035 202 V CB -1.281 30.513 31.823 -0.048 0.000 0.658 202 V HN 0.608 nan 8.190 nan 0.000 0.452 203 G N -0.127 108.589 108.800 -0.140 0.000 2.433 203 G HA2 -0.194 3.766 3.960 0.001 0.000 0.216 203 G HA3 -0.194 3.766 3.960 0.001 0.000 0.216 203 G C 1.668 176.411 174.900 -0.261 0.000 1.186 203 G CA 1.212 46.195 45.100 -0.195 0.000 0.779 203 G HN 0.368 nan 8.290 nan 0.000 0.543 204 V N 0.926 120.638 119.914 -0.337 0.000 2.407 204 V HA -0.145 3.976 4.120 0.001 0.000 0.248 204 V C 2.760 178.701 176.094 -0.255 0.000 1.055 204 V CA 2.078 64.115 62.300 -0.438 0.000 1.049 204 V CB -0.481 30.971 31.823 -0.619 0.000 0.662 204 V HN 0.435 nan 8.190 nan 0.000 0.455 205 R N 0.580 120.976 120.500 -0.174 0.000 2.075 205 R HA -0.126 4.214 4.340 0.001 0.000 0.232 205 R C 2.286 178.508 176.300 -0.130 0.000 1.126 205 R CA 1.573 57.610 56.100 -0.105 0.000 0.963 205 R CB -0.440 29.824 30.300 -0.061 0.000 0.858 205 R HN 0.450 nan 8.270 nan 0.000 0.435 206 A N 0.464 123.187 122.820 -0.161 0.000 1.978 206 A HA -0.102 4.218 4.320 0.001 0.000 0.220 206 A C 2.226 179.671 177.584 -0.232 0.000 1.170 206 A CA 1.607 53.525 52.037 -0.197 0.000 0.636 206 A CB -0.441 18.436 19.000 -0.206 0.000 0.810 206 A HN 0.243 nan 8.150 nan 0.000 0.448 207 V N 0.130 119.938 119.914 -0.176 0.000 2.307 207 V HA -0.241 3.879 4.120 0.001 0.000 0.245 207 V C 2.412 178.431 176.094 -0.126 0.000 1.045 207 V CA 1.912 64.163 62.300 -0.083 0.000 1.024 207 V CB -0.649 31.114 31.823 -0.099 0.000 0.651 207 V HN 0.580 nan 8.190 nan 0.000 0.449 208 I N 0.916 121.415 120.570 -0.117 0.000 2.163 208 I HA -0.199 3.972 4.170 0.001 0.000 0.243 208 I C 2.236 178.339 176.117 -0.024 0.000 1.085 208 I CA 2.049 63.328 61.300 -0.036 0.000 1.347 208 I CB -0.452 37.572 38.000 0.041 0.000 1.044 208 I HN 0.384 nan 8.210 nan 0.000 0.408 209 V N -2.294 117.553 119.914 -0.113 0.000 3.623 209 V HA 0.120 4.240 4.120 0.001 0.000 0.271 209 V C 0.785 176.683 176.094 -0.327 0.000 1.248 209 V CA -0.166 62.047 62.300 -0.146 0.000 1.156 209 V CB -0.920 30.831 31.823 -0.119 0.000 0.870 209 V HN 0.478 nan 8.190 nan 0.000 0.453 210 K N 1.098 121.142 120.400 -0.592 0.000 3.239 210 K HA -0.176 4.145 4.320 0.001 0.000 0.270 210 K C -0.358 175.572 176.600 -1.117 0.000 1.049 210 K CA 1.075 56.494 56.287 -1.447 0.000 0.769 210 K CB -1.570 30.259 32.500 -1.119 0.000 1.305 210 K HN 0.702 nan 8.250 nan 0.000 0.469 211 D N 0.239 120.256 120.400 -0.639 0.000 2.454 211 D HA 0.389 5.029 4.640 0.001 0.000 0.225 211 D C 0.976 177.209 176.300 -0.113 0.000 1.081 211 D CA 0.254 54.090 54.000 -0.273 0.000 0.864 211 D CB 1.183 41.875 40.800 -0.178 0.000 1.040 211 D HN 0.285 nan 8.370 nan 0.000 0.517 212 A N 3.351 126.253 122.820 0.138 0.000 2.019 212 A HA -0.099 4.222 4.320 0.001 0.000 0.219 212 A C 2.094 179.750 177.584 0.120 0.000 1.164 212 A CA 1.026 53.223 52.037 0.268 0.000 0.644 212 A CB -0.107 19.238 19.000 0.576 0.000 0.805 212 A HN 0.492 nan 8.150 nan 0.000 0.449 213 V N 0.285 120.244 119.914 0.075 0.000 2.323 213 V HA -0.198 3.923 4.120 0.001 0.000 0.244 213 V C 2.442 178.532 176.094 -0.008 0.000 1.041 213 V CA 2.002 64.333 62.300 0.052 0.000 1.025 213 V CB -0.521 31.323 31.823 0.035 0.000 0.656 213 V HN 0.434 nan 8.190 nan 0.000 0.451 214 K N -0.229 120.139 120.400 -0.054 0.000 2.148 214 K HA -0.088 4.233 4.320 0.001 0.000 0.204 214 K C 2.065 178.589 176.600 -0.128 0.000 1.050 214 K CA 1.007 57.246 56.287 -0.080 0.000 0.942 214 K CB -0.521 31.924 32.500 -0.093 0.000 0.724 214 K HN 0.294 nan 8.250 nan 0.000 0.446 215 L N 1.176 122.267 121.223 -0.220 0.000 2.056 215 L HA -0.027 4.313 4.340 0.001 0.000 0.207 215 L C 2.170 178.871 176.870 -0.282 0.000 1.078 215 L CA 1.620 56.235 54.840 -0.375 0.000 0.749 215 L CB -0.747 40.845 42.059 -0.778 0.000 0.901 215 L HN 0.101 nan 8.230 nan 0.000 0.433 216 A N -0.767 121.967 122.820 -0.143 0.000 1.969 216 A HA -0.025 4.295 4.320 0.001 0.000 0.218 216 A C 2.412 180.028 177.584 0.053 0.000 1.169 216 A CA 1.470 53.575 52.037 0.114 0.000 0.635 216 A CB -0.910 18.235 19.000 0.242 0.000 0.810 216 A HN 0.521 nan 8.150 nan 0.000 0.445 217 A N -0.058 122.762 122.820 0.001 0.000 1.898 217 A HA 0.216 4.536 4.320 0.001 0.000 0.216 217 A C 2.485 180.057 177.584 -0.020 0.000 1.181 217 A CA 1.836 53.870 52.037 -0.004 0.000 0.620 217 A CB -0.943 18.048 19.000 -0.016 0.000 0.819 217 A HN 0.976 nan 8.150 nan 0.000 0.442 218 A N -0.107 122.684 122.820 -0.048 0.000 1.902 218 A HA -0.176 4.144 4.320 0.001 0.000 0.217 218 A C 2.263 179.824 177.584 -0.038 0.000 1.181 218 A CA 1.753 53.756 52.037 -0.056 0.000 0.623 218 A CB -0.549 18.395 19.000 -0.093 0.000 0.818 218 A HN 0.567 nan 8.150 nan 0.000 0.443 219 R N 0.164 120.658 120.500 -0.009 0.000 2.082 219 R HA -0.182 4.159 4.340 0.001 0.000 0.234 219 R C 1.873 178.187 176.300 0.023 0.000 1.136 219 R CA 2.083 58.204 56.100 0.037 0.000 0.935 219 R CB -0.606 29.764 30.300 0.115 0.000 0.842 219 R HN 0.726 nan 8.270 nan 0.000 0.430 220 N N -0.715 118.003 118.700 0.031 0.000 2.289 220 N HA -0.117 4.623 4.740 0.001 0.000 0.184 220 N C 1.775 177.269 175.510 -0.026 0.000 1.016 220 N CA 0.656 53.720 53.050 0.023 0.000 0.872 220 N CB -0.236 38.271 38.487 0.033 0.000 0.973 220 N HN 0.415 nan 8.380 nan 0.000 0.433 221 G N 1.658 110.431 108.800 -0.045 0.000 2.475 221 G HA2 -0.217 3.743 3.960 0.001 0.000 0.220 221 G HA3 -0.217 3.743 3.960 0.001 0.000 0.220 221 G C 1.416 176.228 174.900 -0.146 0.000 1.125 221 G CA 0.455 45.514 45.100 -0.068 0.000 0.755 221 G HN 0.208 nan 8.290 nan 0.000 0.565 222 L N 0.907 121.977 121.223 -0.255 0.000 2.362 222 L HA -0.018 4.323 4.340 0.001 0.000 0.219 222 L C 2.703 179.125 176.870 -0.746 0.000 1.134 222 L CA 0.713 55.189 54.840 -0.607 0.000 0.807 222 L CB -0.103 41.417 42.059 -0.899 0.000 0.927 222 L HN 0.138 nan 8.230 nan 0.000 0.447 223 S N -0.272 115.258 115.700 -0.282 0.000 2.522 223 S HA 0.062 4.532 4.470 0.001 0.000 0.227 223 S C 1.191 175.791 174.600 -0.001 0.000 0.986 223 S CA 0.355 58.550 58.200 -0.008 0.000 0.929 223 S CB -0.160 63.094 63.200 0.090 0.000 0.769 223 S HN 0.514 nan 8.310 nan 0.000 0.529 224 G N 1.241 110.009 108.800 -0.054 0.000 2.616 224 G HA2 0.340 4.300 3.960 0.001 0.000 0.268 224 G HA3 0.340 4.300 3.960 0.001 0.000 0.268 224 G C -0.268 174.632 174.900 -0.000 0.000 1.213 224 G CA -0.544 44.545 45.100 -0.018 0.000 0.926 224 G HN 0.200 nan 8.290 nan 0.000 0.523 225 T N 0.107 114.662 114.554 0.002 0.000 2.849 225 T HA 0.333 4.683 4.350 0.001 0.000 0.289 225 T C 1.577 176.275 174.700 -0.003 0.000 1.010 225 T CA 1.722 63.822 62.100 -0.000 0.000 1.161 225 T CB 0.366 69.227 68.868 -0.012 0.000 0.989 225 T HN 1.858 nan 8.240 nan 0.000 0.523 226 G N 2.419 111.220 108.800 0.001 0.000 2.176 226 G HA2 -0.231 3.729 3.960 0.001 0.000 0.253 226 G HA3 -0.231 3.729 3.960 0.001 0.000 0.253 226 G C 0.471 175.428 174.900 0.095 0.000 0.979 226 G CA 0.385 45.477 45.100 -0.013 0.000 0.641 226 G HN 0.669 nan 8.290 nan 0.000 0.530 227 I N -1.479 119.180 120.570 0.149 0.000 5.215 227 I HA 0.415 4.586 4.170 0.001 0.000 0.239 227 I C 1.984 178.428 176.117 0.546 0.000 0.740 227 I CA -0.563 60.901 61.300 0.274 0.000 2.528 227 I CB -0.530 37.475 38.000 0.010 0.000 1.449 227 I HN -0.126 nan 8.210 nan 0.000 0.507 228 F N 2.409 122.501 119.950 0.235 0.000 2.069 228 F HA -0.029 4.498 4.527 0.000 0.000 0.298 228 F C -1.219 174.571 175.800 -0.017 0.000 1.113 228 F CA 0.286 58.329 58.000 0.072 0.000 1.214 228 F CB -2.476 36.481 39.000 -0.071 0.000 0.978 228 F HN 0.040 nan 8.300 nan 0.000 0.474 229 P HA -0.063 nan 4.420 nan 0.000 0.271 229 P C -0.858 176.499 177.300 0.094 0.000 1.216 229 P CA 0.161 63.298 63.100 0.062 0.000 0.771 229 P CB 0.083 31.827 31.700 0.072 0.000 0.864 230 Y N 1.152 121.520 120.300 0.113 0.000 2.497 230 Y HA 0.219 4.770 4.550 0.001 0.000 0.334 230 Y C 1.466 177.298 175.900 -0.114 0.000 1.199 230 Y CA -0.762 57.370 58.100 0.055 0.000 1.425 230 Y CB 0.575 39.072 38.460 0.062 0.000 1.291 230 Y HN 0.434 nan 8.280 nan 0.000 0.562 231 A N 1.556 124.278 122.820 -0.164 0.000 2.302 231 A HA 0.420 4.740 4.320 0.001 0.000 0.285 231 A C 0.725 177.901 177.584 -0.680 0.000 1.105 231 A CA -0.030 51.716 52.037 -0.485 0.000 0.816 231 A CB 0.307 18.861 19.000 -0.744 0.000 1.067 231 A HN 0.852 nan 8.150 nan 0.000 0.489 232 T N -1.920 112.432 114.554 -0.337 0.000 3.111 232 T HA 0.551 4.901 4.350 0.001 0.000 0.284 232 T C 0.372 175.125 174.700 0.088 0.000 0.983 232 T CA 0.422 62.477 62.100 -0.074 0.000 0.900 232 T CB -0.097 68.772 68.868 0.003 0.000 1.132 232 T HN 2.025 nan 8.240 nan 0.000 0.531 233 G N -1.012 107.801 108.800 0.022 0.000 2.443 233 G HA2 0.590 4.551 3.960 0.001 0.000 0.303 233 G HA3 0.590 4.551 3.960 0.001 0.000 0.303 233 G C -0.012 174.925 174.900 0.063 0.000 1.613 233 G CA 0.081 45.263 45.100 0.137 0.000 0.879 233 G HN 1.202 nan 8.290 nan 0.000 0.632 234 G N 0.956 109.818 108.800 0.104 0.000 2.632 234 G HA2 0.121 4.081 3.960 0.001 0.000 0.224 234 G HA3 0.121 4.081 3.960 0.001 0.000 0.224 234 G C -0.544 174.357 174.900 0.002 0.000 1.341 234 G CA 0.154 45.272 45.100 0.030 0.000 0.880 234 G HN 1.060 nan 8.290 nan 0.000 0.566 235 D N 1.328 121.677 120.400 -0.084 0.000 2.382 235 D HA 0.595 5.235 4.640 0.001 0.000 0.245 235 D C 0.895 177.009 176.300 -0.310 0.000 1.120 235 D CA 1.931 55.802 54.000 -0.215 0.000 0.890 235 D CB 1.033 41.718 40.800 -0.192 0.000 1.201 235 D HN 1.816 nan 8.370 nan 0.000 0.433 236 G N 0.021 108.460 108.800 -0.600 0.000 2.347 236 G HA2 0.033 3.993 3.960 0.001 0.000 0.341 236 G HA3 0.033 3.993 3.960 0.001 0.000 0.341 236 G C -1.320 173.266 174.900 -0.525 0.000 1.287 236 G CA -1.147 43.638 45.100 -0.525 0.000 0.984 236 G HN 0.232 nan 8.290 nan 0.000 0.526 237 F N 0.216 120.138 119.950 -0.046 0.000 2.384 237 F HA 0.691 5.219 4.527 0.001 0.000 0.338 237 F C 0.447 176.412 175.800 0.276 0.000 1.103 237 F CA 0.065 58.181 58.000 0.194 0.000 1.157 237 F CB 1.018 40.065 39.000 0.077 0.000 1.167 237 F HN 0.408 nan 8.300 nan 0.000 0.529 238 Y N 0.468 120.954 120.300 0.309 0.000 2.496 238 Y HA 0.489 5.040 4.550 0.001 0.000 0.331 238 Y C 1.038 176.838 175.900 -0.168 0.000 1.140 238 Y CA -0.920 57.242 58.100 0.103 0.000 1.166 238 Y CB 1.311 39.792 38.460 0.034 0.000 1.249 238 Y HN 0.633 nan 8.280 nan 0.000 0.479 239 A N 0.477 123.066 122.820 -0.386 0.000 1.978 239 A HA -0.199 4.121 4.320 0.001 0.000 0.220 239 A C 1.513 178.991 177.584 -0.176 0.000 1.170 239 A CA 1.993 53.630 52.037 -0.667 0.000 0.636 239 A CB -0.755 17.961 19.000 -0.474 0.000 0.810 239 A HN 0.832 nan 8.150 nan 0.000 0.448 240 D N -2.019 118.377 120.400 -0.006 0.000 2.352 240 D HA 0.264 4.904 4.640 0.001 0.000 0.232 240 D C 1.146 177.519 176.300 0.122 0.000 1.055 240 D CA 1.021 55.034 54.000 0.022 0.000 0.891 240 D CB -0.556 40.245 40.800 0.002 0.000 0.897 240 D HN 0.771 nan 8.370 nan 0.000 0.529 241 G N -0.657 108.286 108.800 0.239 0.000 2.213 241 G HA2 -0.273 3.688 3.960 0.001 0.000 0.236 241 G HA3 -0.273 3.688 3.960 0.001 0.000 0.236 241 G C 0.498 175.664 174.900 0.443 0.000 0.991 241 G CA 0.201 45.552 45.100 0.418 0.000 0.629 241 G HN 0.454 nan 8.290 nan 0.000 0.517 242 S N -0.242 115.672 115.700 0.357 0.000 2.589 242 S HA 0.629 5.100 4.470 0.001 0.000 0.265 242 S C -0.486 174.213 174.600 0.164 0.000 1.342 242 S CA 0.406 58.667 58.200 0.101 0.000 1.005 242 S CB 1.273 64.397 63.200 -0.127 0.000 0.909 242 S HN 0.981 nan 8.310 nan 0.000 0.555 243 F N 1.180 121.028 119.950 -0.171 0.000 2.573 243 F HA 0.577 5.104 4.527 0.000 0.000 0.316 243 F C -1.221 174.486 175.800 -0.155 0.000 1.148 243 F CA -0.579 57.261 58.000 -0.267 0.000 0.940 243 F CB 0.973 39.598 39.000 -0.626 0.000 1.214 243 F HN 0.302 nan 8.300 nan 0.000 0.448 244 V N 5.070 124.569 119.914 -0.692 0.000 2.769 244 V HA 0.666 4.786 4.120 0.001 0.000 0.312 244 V C -0.976 174.803 176.094 -0.524 0.000 1.061 244 V CA -0.590 61.502 62.300 -0.347 0.000 0.931 244 V CB 1.937 33.694 31.823 -0.109 0.000 1.010 244 V HN 0.769 nan 8.190 nan 0.000 0.433 245 Q N 0.650 120.413 119.800 -0.062 0.000 2.418 245 Q HA 0.503 4.843 4.340 0.001 0.000 0.282 245 Q C -0.344 175.766 176.000 0.183 0.000 1.044 245 Q CA -0.475 55.255 55.803 -0.123 0.000 0.813 245 Q CB 1.308 29.874 28.738 -0.286 0.000 1.428 245 Q HN 0.832 nan 8.270 nan 0.000 0.402 246 H N 1.943 121.018 119.070 0.009 0.000 2.839 246 H HA -0.256 4.301 4.556 0.000 0.000 0.298 246 H C -0.066 175.388 175.328 0.210 0.000 1.224 246 H CA 0.406 56.552 56.048 0.163 0.000 1.144 246 H CB -1.209 28.739 29.762 0.309 0.000 1.372 246 H HN 0.945 nan 8.280 nan 0.000 0.408 247 T N -2.797 111.860 114.554 0.172 0.000 12.209 247 T HA -0.352 3.999 4.350 0.001 0.000 0.417 247 T C 1.334 176.019 174.700 -0.026 0.000 1.458 247 T CA 2.563 64.696 62.100 0.055 0.000 2.409 247 T CB -1.177 67.712 68.868 0.033 0.000 2.842 247 T HN 0.781 nan 8.240 nan 0.000 0.841 248 T N -0.830 113.636 114.554 -0.146 0.000 3.288 248 T HA 0.613 4.964 4.350 0.001 0.000 0.293 248 T C -0.306 174.064 174.700 -0.550 0.000 1.008 248 T CA -0.606 61.272 62.100 -0.370 0.000 0.929 248 T CB -0.078 68.495 68.868 -0.492 0.000 1.152 248 T HN 0.369 nan 8.240 nan 0.000 0.517 249 F N 1.832 121.826 119.950 0.074 0.000 2.495 249 F HA 0.752 5.280 4.527 0.000 0.000 0.327 249 F C 0.561 176.356 175.800 -0.008 0.000 1.103 249 F CA -1.528 56.491 58.000 0.033 0.000 0.949 249 F CB 1.487 40.545 39.000 0.096 0.000 1.142 249 F HN 0.162 nan 8.300 nan 0.000 0.457 250 A N 2.577 125.428 122.820 0.052 0.000 2.444 250 A HA 0.279 4.600 4.320 0.001 0.000 0.273 250 A C -0.939 176.605 177.584 -0.066 0.000 1.136 250 A CA 0.248 52.267 52.037 -0.031 0.000 0.799 250 A CB -0.381 18.563 19.000 -0.094 0.000 1.081 250 A HN 0.815 nan 8.150 nan 0.000 0.509 251 Y N 1.766 122.143 120.300 0.129 0.000 2.768 251 Y HA 0.109 4.660 4.550 0.001 0.000 0.249 251 Y C 1.896 177.828 175.900 0.052 0.000 1.146 251 Y CA 0.152 58.357 58.100 0.175 0.000 1.171 251 Y CB 0.083 38.750 38.460 0.345 0.000 1.249 251 Y HN 0.741 nan 8.280 nan 0.000 0.567 252 T N -1.327 113.254 114.554 0.045 0.000 2.685 252 T HA -0.228 4.123 4.350 0.001 0.000 0.268 252 T C 2.087 176.639 174.700 -0.246 0.000 1.034 252 T CA 1.957 63.859 62.100 -0.330 0.000 1.149 252 T CB -0.330 68.285 68.868 -0.422 0.000 0.860 252 T HN 0.582 nan 8.240 nan 0.000 0.449 253 G N -0.259 108.477 108.800 -0.106 0.000 2.985 253 G HA2 0.396 4.356 3.960 0.001 0.000 0.209 253 G HA3 0.396 4.356 3.960 0.001 0.000 0.209 253 G C 1.042 175.936 174.900 -0.010 0.000 1.165 253 G CA 0.539 45.624 45.100 -0.025 0.000 0.776 253 G HN 0.590 nan 8.290 nan 0.000 0.541 254 G N 0.071 108.909 108.800 0.064 0.000 2.529 254 G HA2 0.176 4.136 3.960 0.001 0.000 0.220 254 G HA3 0.176 4.136 3.960 0.001 0.000 0.220 254 G C 1.081 175.870 174.900 -0.185 0.000 1.976 254 G CA -0.023 45.094 45.100 0.029 0.000 0.789 254 G HN 0.135 nan 8.290 nan 0.000 0.695 255 Y N 1.826 121.950 120.300 -0.293 0.000 2.333 255 Y HA 0.002 4.552 4.550 0.000 0.000 0.290 255 Y C 2.949 178.547 175.900 -0.504 0.000 1.144 255 Y CA 1.039 58.913 58.100 -0.378 0.000 1.228 255 Y CB -0.441 37.756 38.460 -0.439 0.000 0.985 255 Y HN 0.282 nan 8.280 nan 0.000 0.542 256 G N -1.058 107.315 108.800 -0.712 0.000 2.421 256 G HA2 -0.256 3.705 3.960 0.001 0.000 0.216 256 G HA3 -0.256 3.705 3.960 0.001 0.000 0.216 256 G C 1.917 176.590 174.900 -0.379 0.000 1.171 256 G CA 1.241 45.521 45.100 -1.366 0.000 0.775 256 G HN 0.371 nan 8.290 nan 0.000 0.543 257 S N 0.913 116.522 115.700 -0.151 0.000 2.383 257 S HA -0.120 4.350 4.470 0.001 0.000 0.229 257 S C 2.724 177.281 174.600 -0.072 0.000 1.030 257 S CA 1.450 59.620 58.200 -0.051 0.000 1.002 257 S CB -0.227 62.961 63.200 -0.020 0.000 0.829 257 S HN 0.386 nan 8.310 nan 0.000 0.467 258 S N 1.096 116.731 115.700 -0.108 0.000 2.368 258 S HA -0.039 4.432 4.470 0.001 0.000 0.224 258 S C 2.048 176.516 174.600 -0.221 0.000 1.029 258 S CA 0.986 59.126 58.200 -0.100 0.000 0.988 258 S CB -0.383 62.734 63.200 -0.138 0.000 0.838 258 S HN 0.341 nan 8.310 nan 0.000 0.462 259 V N 2.042 121.801 119.914 -0.259 0.000 2.343 259 V HA -0.134 3.986 4.120 0.001 0.000 0.247 259 V C 2.254 178.384 176.094 0.059 0.000 1.051 259 V CA 1.476 63.690 62.300 -0.144 0.000 1.036 259 V CB -0.690 31.083 31.823 -0.083 0.000 0.654 259 V HN 0.354 nan 8.190 nan 0.000 0.451 260 L N 0.573 121.840 121.223 0.074 0.000 1.994 260 L HA -0.180 4.160 4.340 0.001 0.000 0.208 260 L C 2.496 179.438 176.870 0.120 0.000 1.071 260 L CA 2.513 57.450 54.840 0.161 0.000 0.745 260 L CB -0.854 41.185 42.059 -0.034 0.000 0.892 260 L HN 0.500 nan 8.230 nan 0.000 0.431 261 E N -1.239 118.995 120.200 0.057 0.000 2.058 261 E HA -0.240 4.110 4.350 0.001 0.000 0.194 261 E C 1.848 178.540 176.600 0.155 0.000 0.997 261 E CA 2.084 58.540 56.400 0.093 0.000 0.801 261 E CB -0.184 29.574 29.700 0.096 0.000 0.746 261 E HN 0.600 nan 8.360 nan 0.000 0.450 262 T N 0.146 114.781 114.554 0.135 0.000 2.708 262 T HA -0.126 4.224 4.350 0.001 0.000 0.266 262 T C 1.944 176.748 174.700 0.175 0.000 1.037 262 T CA 1.784 63.980 62.100 0.161 0.000 1.146 262 T CB -0.565 68.331 68.868 0.046 0.000 0.865 262 T HN 0.239 nan 8.240 nan 0.000 0.435 263 T N 2.050 116.709 114.554 0.176 0.000 2.708 263 T HA -0.027 4.324 4.350 0.001 0.000 0.266 263 T C 2.425 177.289 174.700 0.274 0.000 1.037 263 T CA 1.197 63.430 62.100 0.222 0.000 1.146 263 T CB -0.587 68.491 68.868 0.351 0.000 0.865 263 T HN 0.435 nan 8.240 nan 0.000 0.435 264 A N 2.278 125.272 122.820 0.289 0.000 1.902 264 A HA -0.159 4.161 4.320 0.001 0.000 0.217 264 A C 2.269 180.071 177.584 0.363 0.000 1.181 264 A CA 1.552 53.805 52.037 0.360 0.000 0.623 264 A CB -0.594 18.560 19.000 0.257 0.000 0.818 264 A HN 0.375 nan 8.150 nan 0.000 0.443 265 N N -0.328 118.558 118.700 0.310 0.000 2.106 265 N HA -0.106 4.635 4.740 0.001 0.000 0.188 265 N C 1.587 177.360 175.510 0.438 0.000 1.029 265 N CA 1.406 54.691 53.050 0.391 0.000 0.848 265 N CB -0.554 38.200 38.487 0.446 0.000 1.007 265 N HN 0.399 nan 8.380 nan 0.000 0.423 266 L N 1.003 122.403 121.223 0.294 0.000 2.056 266 L HA 0.053 4.393 4.340 0.001 0.000 0.207 266 L C 2.098 179.017 176.870 0.083 0.000 1.078 266 L CA 1.383 56.320 54.840 0.162 0.000 0.749 266 L CB -0.575 41.532 42.059 0.081 0.000 0.901 266 L HN 0.116 nan 8.230 nan 0.000 0.433 267 M N -1.983 117.665 119.600 0.081 0.000 2.108 267 M HA -0.264 4.216 4.480 0.001 0.000 0.261 267 M C 2.321 178.309 176.300 -0.520 0.000 1.066 267 M CA 2.216 57.468 55.300 -0.081 0.000 1.107 267 M CB -0.679 32.008 32.600 0.145 0.000 1.356 267 M HN 0.402 nan 8.290 nan 0.000 0.406 268 Y N 1.080 121.007 120.300 -0.622 0.000 2.145 268 Y HA -0.283 4.267 4.550 0.001 0.000 0.286 268 Y C 2.168 177.942 175.900 -0.210 0.000 1.145 268 Y CA 1.571 59.281 58.100 -0.650 0.000 1.148 268 Y CB -0.271 38.132 38.460 -0.096 0.000 0.981 268 Y HN 0.101 nan 8.280 nan 0.000 0.507 269 L N 0.579 121.739 121.223 -0.104 0.000 2.013 269 L HA -0.234 4.106 4.340 0.001 0.000 0.212 269 L C 1.984 178.761 176.870 -0.154 0.000 1.073 269 L CA 1.970 56.769 54.840 -0.068 0.000 0.753 269 L CB -0.826 41.361 42.059 0.214 0.000 0.890 269 L HN 0.405 nan 8.230 nan 0.000 0.432 270 L N -1.204 119.952 121.223 -0.112 0.000 2.313 270 L HA 0.012 4.353 4.340 0.001 0.000 0.214 270 L C 1.394 178.217 176.870 -0.079 0.000 1.119 270 L CA 0.251 55.070 54.840 -0.036 0.000 0.809 270 L CB -0.583 41.494 42.059 0.031 0.000 0.933 270 L HN 0.188 nan 8.230 nan 0.000 0.449 271 S N 0.284 115.854 115.700 -0.217 0.000 2.575 271 S HA 0.229 4.699 4.470 0.001 0.000 0.295 271 S C 1.278 175.819 174.600 -0.099 0.000 1.267 271 S CA 0.716 58.819 58.200 -0.162 0.000 1.074 271 S CB 0.276 63.315 63.200 -0.268 0.000 0.829 271 S HN 0.637 nan 8.310 nan 0.000 0.497 272 G N 3.156 111.935 108.800 -0.035 0.000 2.199 272 G HA2 -0.284 3.677 3.960 0.001 0.000 0.254 272 G HA3 -0.284 3.677 3.960 0.001 0.000 0.254 272 G C 0.302 175.169 174.900 -0.055 0.000 0.982 272 G CA 0.569 45.649 45.100 -0.034 0.000 0.632 272 G HN 1.595 nan 8.290 nan 0.000 0.529 273 S N -1.053 114.618 115.700 -0.049 0.000 2.694 273 S HA 0.643 5.114 4.470 0.001 0.000 0.278 273 S C 1.354 175.845 174.600 -0.182 0.000 1.152 273 S CA 0.852 59.012 58.200 -0.067 0.000 1.010 273 S CB 1.322 64.570 63.200 0.080 0.000 1.104 273 S HN 0.394 nan 8.310 nan 0.000 0.547 274 T N 0.448 114.731 114.554 -0.452 0.000 2.929 274 T HA -0.014 4.336 4.350 0.001 0.000 0.271 274 T C 0.325 174.572 174.700 -0.754 0.000 1.085 274 T CA 1.100 62.725 62.100 -0.792 0.000 1.125 274 T CB -0.344 67.652 68.868 -1.452 0.000 0.874 274 T HN 0.659 nan 8.240 nan 0.000 0.494 275 W N 1.698 122.954 121.300 -0.072 0.000 3.067 275 W HA 0.492 5.152 4.660 0.000 0.000 0.417 275 W C 0.802 177.300 176.519 -0.035 0.000 1.029 275 W CA -1.091 56.227 57.345 -0.045 0.000 1.992 275 W CB -0.504 28.930 29.460 -0.045 0.000 1.122 275 W HN 0.075 nan 8.180 nan 0.000 0.681 276 S N 1.200 116.948 115.700 0.080 0.000 2.552 276 S HA 0.129 4.600 4.470 0.001 0.000 0.289 276 S C 0.487 175.136 174.600 0.082 0.000 1.304 276 S CA -0.032 58.202 58.200 0.057 0.000 1.063 276 S CB 0.802 64.011 63.200 0.015 0.000 0.848 276 S HN -0.040 nan 8.310 nan 0.000 0.499 277 V N 5.582 125.557 119.914 0.102 0.000 2.540 277 V HA 0.091 4.211 4.120 0.001 0.000 0.297 277 V C 1.327 177.483 176.094 0.104 0.000 1.024 277 V CA 0.951 63.334 62.300 0.139 0.000 1.105 277 V CB 0.846 32.795 31.823 0.211 0.000 0.938 277 V HN 1.054 nan 8.190 nan 0.000 0.482 278 S N 1.562 117.315 115.700 0.088 0.000 2.559 278 S HA 0.071 4.542 4.470 0.001 0.000 0.226 278 S C 0.549 175.165 174.600 0.027 0.000 1.030 278 S CA -0.308 57.922 58.200 0.050 0.000 0.956 278 S CB 0.023 63.245 63.200 0.037 0.000 0.900 278 S HN 0.737 nan 8.310 nan 0.000 0.510 279 D N 3.932 124.365 120.400 0.054 0.000 2.520 279 D HA 0.126 4.766 4.640 0.001 0.000 0.243 279 D C -1.642 174.593 176.300 -0.109 0.000 1.160 279 D CA -1.333 52.681 54.000 0.023 0.000 0.877 279 D CB 1.231 42.126 40.800 0.158 0.000 1.150 279 D HN 0.063 nan 8.370 nan 0.000 0.494 280 P HA -0.104 nan 4.420 nan 0.000 0.218 280 P C 0.779 177.932 177.300 -0.245 0.000 1.148 280 P CA 0.728 63.752 63.100 -0.127 0.000 0.822 280 P CB 0.234 31.895 31.700 -0.065 0.000 0.784 281 N N -0.095 118.444 118.700 -0.268 0.000 2.573 281 N HA -0.131 4.609 4.740 0.001 0.000 0.187 281 N C 1.658 176.681 175.510 -0.811 0.000 1.107 281 N CA 0.610 53.428 53.050 -0.386 0.000 0.918 281 N CB -0.444 37.922 38.487 -0.200 0.000 0.966 281 N HN 0.490 nan 8.380 nan 0.000 0.448 282 Q N 0.301 119.459 119.800 -1.069 0.000 2.364 282 Q HA -0.075 4.265 4.340 0.001 0.000 0.209 282 Q C 1.501 176.647 176.000 -1.423 0.000 0.977 282 Q CA 1.409 56.204 55.803 -1.680 0.000 0.885 282 Q CB -0.274 27.770 28.738 -1.157 0.000 0.941 282 Q HN 0.283 nan 8.270 nan 0.000 0.464 283 S N 0.457 115.571 115.700 -0.976 0.000 2.474 283 S HA -0.125 4.345 4.470 0.001 0.000 0.235 283 S C 1.325 175.297 174.600 -1.046 0.000 0.997 283 S CA 1.034 58.642 58.200 -0.987 0.000 0.949 283 S CB -0.520 62.492 63.200 -0.314 0.000 0.766 283 S HN 0.550 nan 8.310 nan 0.000 0.517 284 N N 1.124 119.258 118.700 -0.943 0.000 2.289 284 N HA -0.049 4.691 4.740 0.001 0.000 0.184 284 N C 1.414 176.166 175.510 -1.263 0.000 1.016 284 N CA 1.089 53.645 53.050 -0.824 0.000 0.872 284 N CB -0.348 37.630 38.487 -0.848 0.000 0.973 284 N HN 0.255 nan 8.380 nan 0.000 0.433 285 V N 0.422 119.260 119.914 -1.794 0.000 2.392 285 V HA -0.232 3.888 4.120 0.001 0.000 0.249 285 V C 1.593 177.098 176.094 -0.982 0.000 1.059 285 V CA 1.597 62.663 62.300 -2.056 0.000 1.051 285 V CB -0.720 30.074 31.823 -1.715 0.000 0.658 285 V HN 0.481 nan 8.190 nan 0.000 0.455 286 W N -0.612 120.342 121.300 -0.577 0.000 2.363 286 W HA -0.149 4.511 4.660 0.000 0.000 0.296 286 W C 2.605 178.891 176.519 -0.388 0.000 1.212 286 W CA 0.166 57.272 57.345 -0.399 0.000 1.260 286 W CB -0.497 28.596 29.460 -0.610 0.000 1.131 286 W HN 0.154 nan 8.180 nan 0.000 0.530 287 Q N -0.151 119.639 119.800 -0.018 0.000 2.224 287 Q HA -0.157 4.183 4.340 0.001 0.000 0.203 287 Q C 1.826 177.994 176.000 0.279 0.000 0.970 287 Q CA 1.170 57.110 55.803 0.228 0.000 0.865 287 Q CB -0.928 27.991 28.738 0.301 0.000 0.922 287 Q HN 0.467 nan 8.270 nan 0.000 0.445 288 W N 0.895 122.162 121.300 -0.054 0.000 2.335 288 W HA -0.135 4.525 4.660 0.001 0.000 0.311 288 W C 2.019 178.607 176.519 0.114 0.000 1.213 288 W CA 0.201 57.487 57.345 -0.099 0.000 1.274 288 W CB -0.934 28.248 29.460 -0.463 0.000 1.148 288 W HN 0.102 nan 8.180 nan 0.000 0.498 289 I N -0.766 119.929 120.570 0.209 0.000 2.142 289 I HA -0.305 3.865 4.170 0.001 0.000 0.240 289 I C 2.193 178.428 176.117 0.197 0.000 1.078 289 I CA 1.442 62.795 61.300 0.089 0.000 1.343 289 I CB -1.878 35.921 38.000 -0.334 0.000 1.046 289 I HN 0.080 nan 8.210 nan 0.000 0.405 290 Y N 0.924 121.405 120.300 0.301 0.000 2.200 290 Y HA -0.159 4.392 4.550 0.001 0.000 0.290 290 Y C 2.620 178.645 175.900 0.209 0.000 1.137 290 Y CA 0.697 58.943 58.100 0.243 0.000 1.163 290 Y CB -0.093 38.507 38.460 0.233 0.000 0.988 290 Y HN 0.204 nan 8.280 nan 0.000 0.518 291 E N -0.581 119.852 120.200 0.389 0.000 2.244 291 E HA 0.094 4.444 4.350 0.001 0.000 0.196 291 E C 2.143 178.940 176.600 0.330 0.000 0.939 291 E CA 0.787 57.372 56.400 0.309 0.000 0.884 291 E CB -0.137 29.734 29.700 0.284 0.000 0.850 291 E HN 0.369 nan 8.360 nan 0.000 0.481 292 A N -0.078 122.915 122.820 0.289 0.000 1.943 292 A HA 0.018 4.338 4.320 0.001 0.000 0.213 292 A C 1.617 179.068 177.584 -0.222 0.000 1.181 292 A CA 0.682 52.773 52.037 0.091 0.000 0.653 292 A CB -0.271 18.795 19.000 0.110 0.000 0.833 292 A HN 0.149 nan 8.150 nan 0.000 0.451 293 Y N -1.274 119.121 120.300 0.159 0.000 2.382 293 Y HA 0.161 4.711 4.550 0.001 0.000 0.292 293 Y C 2.403 178.347 175.900 0.074 0.000 1.151 293 Y CA 0.792 58.939 58.100 0.078 0.000 1.198 293 Y CB -0.223 38.264 38.460 0.046 0.000 1.195 293 Y HN 0.173 nan 8.280 nan 0.000 0.530 294 R N 0.670 121.325 120.500 0.257 0.000 2.119 294 R HA -0.178 4.162 4.340 0.001 0.000 0.246 294 R C -1.081 175.296 176.300 0.129 0.000 1.146 294 R CA 2.160 58.370 56.100 0.183 0.000 0.962 294 R CB -1.266 29.164 30.300 0.216 0.000 0.863 294 R HN 0.230 nan 8.270 nan 0.000 0.442 295 P HA -0.036 nan 4.420 nan 0.000 0.233 295 P C 0.382 177.728 177.300 0.076 0.000 1.167 295 P CA 1.007 64.175 63.100 0.112 0.000 0.770 295 P CB 0.181 31.973 31.700 0.155 0.000 0.837 296 L N -1.897 119.350 121.223 0.041 0.000 2.769 296 L HA 0.226 4.566 4.340 0.001 0.000 0.240 296 L C 0.415 177.231 176.870 -0.090 0.000 1.163 296 L CA -0.093 54.712 54.840 -0.059 0.000 0.962 296 L CB 0.034 42.007 42.059 -0.143 0.000 1.258 296 L HN -0.063 nan 8.230 nan 0.000 0.513 297 L N -0.553 120.652 121.223 -0.029 0.000 2.325 297 L HA 0.395 4.735 4.340 0.001 0.000 0.278 297 L C -1.209 175.646 176.870 -0.025 0.000 1.023 297 L CA -0.643 54.169 54.840 -0.045 0.000 0.811 297 L CB 1.853 43.913 42.059 0.003 0.000 1.249 297 L HN -0.094 nan 8.230 nan 0.000 0.431 298 Y N 3.115 123.300 120.300 -0.192 0.000 2.322 298 Y HA 0.225 4.775 4.550 0.001 0.000 0.324 298 Y C -0.081 175.803 175.900 -0.027 0.000 1.027 298 Y CA -1.093 56.937 58.100 -0.117 0.000 1.179 298 Y CB 0.946 39.300 38.460 -0.177 0.000 1.136 298 Y HN 0.531 nan 8.280 nan 0.000 0.449 299 K N 4.671 124.811 120.400 -0.433 0.000 3.078 299 K HA -0.278 4.042 4.320 0.001 0.000 0.261 299 K C 0.916 177.567 176.600 0.084 0.000 0.947 299 K CA 1.225 57.404 56.287 -0.180 0.000 0.702 299 K CB -1.552 30.845 32.500 -0.172 0.000 1.318 299 K HN 1.302 nan 8.250 nan 0.000 0.473 300 G N -1.661 107.141 108.800 0.003 0.000 2.232 300 G HA2 -0.249 3.711 3.960 0.001 0.000 0.226 300 G HA3 -0.249 3.711 3.960 0.001 0.000 0.226 300 G C 0.116 174.850 174.900 -0.276 0.000 0.996 300 G CA 0.082 45.218 45.100 0.060 0.000 0.626 300 G HN 0.849 nan 8.290 nan 0.000 0.509 301 A N 0.168 122.684 122.820 -0.507 0.000 2.301 301 A HA 0.835 5.155 4.320 0.001 0.000 0.312 301 A C -0.003 177.449 177.584 -0.221 0.000 1.182 301 A CA 0.072 51.801 52.037 -0.514 0.000 0.826 301 A CB 0.956 19.693 19.000 -0.439 0.000 1.134 301 A HN 1.040 nan 8.150 nan 0.000 0.501 302 M N 3.922 123.436 119.600 -0.144 0.000 2.080 302 M HA 0.404 4.884 4.480 0.001 0.000 0.350 302 M C -0.199 176.022 176.300 -0.132 0.000 1.173 302 M CA -0.405 54.835 55.300 -0.100 0.000 1.052 302 M CB -0.004 32.578 32.600 -0.030 0.000 1.577 302 M HN 0.710 nan 8.290 nan 0.000 0.455 303 M N 4.435 123.901 119.600 -0.223 0.000 2.286 303 M HA -0.094 4.386 4.480 0.001 0.000 0.365 303 M C 0.585 176.755 176.300 -0.217 0.000 1.443 303 M CA 0.283 55.436 55.300 -0.245 0.000 0.951 303 M CB 0.054 32.461 32.600 -0.321 0.000 1.961 303 M HN 0.613 nan 8.290 nan 0.000 0.468 304 D N 3.337 123.610 120.400 -0.212 0.000 2.221 304 D HA -0.177 4.463 4.640 0.001 0.000 0.204 304 D C 1.887 177.957 176.300 -0.383 0.000 0.982 304 D CA 1.538 55.395 54.000 -0.238 0.000 0.857 304 D CB -0.163 40.594 40.800 -0.073 0.000 0.934 304 D HN 0.745 nan 8.370 nan 0.000 0.475 305 M N -0.419 118.850 119.600 -0.551 0.000 2.539 305 M HA -0.075 4.405 4.480 0.001 0.000 0.261 305 M C 1.286 177.409 176.300 -0.294 0.000 1.069 305 M CA 1.131 56.162 55.300 -0.447 0.000 1.081 305 M CB -0.054 32.276 32.600 -0.449 0.000 1.412 305 M HN -0.067 nan 8.290 nan 0.000 0.482 306 V N -3.115 116.629 119.914 -0.283 0.000 3.176 306 V HA 0.340 4.460 4.120 0.001 0.000 0.332 306 V C 1.271 177.233 176.094 -0.219 0.000 1.414 306 V CA -0.421 61.731 62.300 -0.247 0.000 1.133 306 V CB -0.654 31.018 31.823 -0.252 0.000 1.088 306 V HN 0.459 nan 8.190 nan 0.000 0.473 307 R N 1.255 121.605 120.500 -0.250 0.000 2.362 307 R HA 0.462 4.802 4.340 0.001 0.000 0.227 307 R C 1.573 177.706 176.300 -0.277 0.000 0.905 307 R CA 0.463 56.454 56.100 -0.181 0.000 1.067 307 R CB 0.595 30.799 30.300 -0.160 0.000 1.078 307 R HN 0.676 nan 8.270 nan 0.000 0.516 308 G N 2.981 111.441 108.800 -0.566 0.000 2.614 308 G HA2 -0.449 3.512 3.960 0.001 0.000 0.303 308 G HA3 -0.449 3.512 3.960 0.001 0.000 0.303 308 G C 0.671 175.369 174.900 -0.337 0.000 1.270 308 G CA 0.763 45.439 45.100 -0.706 0.000 0.988 308 G HN 0.513 nan 8.290 nan 0.000 0.551 309 R N 1.132 121.522 120.500 -0.183 0.000 2.328 309 R HA 0.126 4.466 4.340 0.001 0.000 0.207 309 R C 1.861 178.056 176.300 -0.176 0.000 1.056 309 R CA 1.836 57.841 56.100 -0.158 0.000 1.016 309 R CB -0.291 29.948 30.300 -0.101 0.000 0.872 309 R HN 0.698 nan 8.270 nan 0.000 0.471 310 E N 1.576 121.679 120.200 -0.162 0.000 2.418 310 E HA -0.097 4.253 4.350 0.001 0.000 0.197 310 E C 1.848 178.311 176.600 -0.229 0.000 1.026 310 E CA 0.954 57.233 56.400 -0.201 0.000 0.862 310 E CB -0.135 29.461 29.700 -0.173 0.000 0.799 310 E HN 0.666 nan 8.360 nan 0.000 0.518 311 I N -0.885 119.505 120.570 -0.300 0.000 2.756 311 I HA -0.133 4.038 4.170 0.001 0.000 0.262 311 I C 2.075 178.056 176.117 -0.227 0.000 1.225 311 I CA 1.124 62.173 61.300 -0.418 0.000 1.472 311 I CB -0.233 37.191 38.000 -0.961 0.000 1.094 311 I HN -0.075 nan 8.210 nan 0.000 0.454 312 S N 0.561 116.175 115.700 -0.144 0.000 2.631 312 S HA 0.215 4.685 4.470 0.001 0.000 0.217 312 S C 0.788 175.496 174.600 0.180 0.000 0.958 312 S CA -0.564 57.690 58.200 0.090 0.000 0.920 312 S CB -0.309 62.872 63.200 -0.032 0.000 0.776 312 S HN 0.478 nan 8.310 nan 0.000 0.517 313 R N 1.963 122.386 120.500 -0.129 0.000 2.207 313 R HA 0.320 4.661 4.340 0.001 0.000 0.334 313 R C 1.312 177.055 176.300 -0.928 0.000 1.013 313 R CA 0.295 56.048 56.100 -0.579 0.000 0.858 313 R CB 1.127 30.873 30.300 -0.924 0.000 1.094 313 R HN 0.472 nan 8.270 nan 0.000 0.457 314 S N 2.641 117.546 115.700 -1.324 0.000 2.400 314 S HA -0.241 4.229 4.470 0.001 0.000 0.232 314 S C 1.572 175.717 174.600 -0.757 0.000 1.025 314 S CA 1.112 58.255 58.200 -1.761 0.000 0.993 314 S CB -0.383 61.781 63.200 -1.726 0.000 0.808 314 S HN 0.802 nan 8.310 nan 0.000 0.478 315 Y N 0.272 120.317 120.300 -0.425 0.000 2.490 315 Y HA 0.747 5.297 4.550 0.001 0.000 0.281 315 Y C 1.008 176.815 175.900 -0.155 0.000 1.174 315 Y CA -0.504 57.455 58.100 -0.236 0.000 1.295 315 Y CB -0.303 38.042 38.460 -0.192 0.000 1.062 315 Y HN 0.327 nan 8.280 nan 0.000 0.522 316 A N 0.717 123.279 122.820 -0.430 0.000 3.129 316 A HA 0.311 4.632 4.320 0.001 0.000 0.282 316 A C -0.204 177.315 177.584 -0.109 0.000 0.948 316 A CA -0.634 51.265 52.037 -0.231 0.000 1.027 316 A CB -0.201 18.598 19.000 -0.334 0.000 1.123 316 A HN 0.426 nan 8.150 nan 0.000 0.485 317 Q N 0.439 120.237 119.800 -0.003 0.000 2.396 317 Q HA 0.138 4.479 4.340 0.001 0.000 0.221 317 Q C 0.792 176.885 176.000 0.155 0.000 1.025 317 Q CA 0.039 55.943 55.803 0.169 0.000 0.946 317 Q CB 0.803 29.707 28.738 0.276 0.000 1.224 317 Q HN 0.639 nan 8.270 nan 0.000 0.539 318 D N -0.137 120.390 120.400 0.211 0.000 2.172 318 D HA -0.280 4.360 4.640 0.001 0.000 0.196 318 D C 1.198 177.510 176.300 0.019 0.000 0.999 318 D CA 1.936 56.006 54.000 0.116 0.000 0.856 318 D CB -0.254 40.638 40.800 0.152 0.000 0.934 318 D HN 0.544 nan 8.370 nan 0.000 0.453 319 H N 0.002 119.118 119.070 0.078 0.000 2.436 319 H HA 0.237 4.793 4.556 0.001 0.000 0.294 319 H C 2.225 177.341 175.328 -0.354 0.000 1.048 319 H CA 1.077 57.090 56.048 -0.059 0.000 1.353 319 H CB 0.088 29.949 29.762 0.166 0.000 1.414 319 H HN 0.332 nan 8.280 nan 0.000 0.536 320 A N 0.753 123.542 122.820 -0.053 0.000 1.933 320 A HA -0.112 4.209 4.320 0.001 0.000 0.218 320 A C 2.717 180.277 177.584 -0.041 0.000 1.175 320 A CA 1.420 53.409 52.037 -0.080 0.000 0.628 320 A CB -0.747 18.262 19.000 0.016 0.000 0.814 320 A HN 0.182 nan 8.150 nan 0.000 0.444 321 V N -0.188 119.714 119.914 -0.021 0.000 2.379 321 V HA -0.129 3.992 4.120 0.001 0.000 0.245 321 V C 2.822 178.924 176.094 0.013 0.000 1.044 321 V CA 1.783 64.082 62.300 -0.002 0.000 1.036 321 V CB -1.447 30.369 31.823 -0.012 0.000 0.664 321 V HN 0.597 nan 8.190 nan 0.000 0.453 322 G N -0.795 107.992 108.800 -0.020 0.000 2.442 322 G HA2 -0.282 3.678 3.960 0.001 0.000 0.219 322 G HA3 -0.282 3.678 3.960 0.001 0.000 0.219 322 G C 1.353 176.368 174.900 0.190 0.000 1.141 322 G CA 1.016 46.134 45.100 0.030 0.000 0.763 322 G HN 0.565 nan 8.290 nan 0.000 0.554 323 H N 0.635 119.788 119.070 0.139 0.000 2.353 323 H HA -0.040 4.516 4.556 0.001 0.000 0.300 323 H C 2.832 178.259 175.328 0.166 0.000 1.090 323 H CA 0.945 57.128 56.048 0.225 0.000 1.327 323 H CB -0.940 28.880 29.762 0.095 0.000 1.383 323 H HN 0.336 nan 8.280 nan 0.000 0.508 324 G N 0.467 109.382 108.800 0.190 0.000 2.422 324 G HA2 -0.181 3.779 3.960 0.001 0.000 0.218 324 G HA3 -0.181 3.779 3.960 0.001 0.000 0.218 324 G C 1.878 176.813 174.900 0.058 0.000 1.146 324 G CA 0.788 45.947 45.100 0.097 0.000 0.769 324 G HN 0.358 nan 8.290 nan 0.000 0.547 325 I N 0.335 120.921 120.570 0.027 0.000 2.252 325 I HA -0.137 4.033 4.170 0.001 0.000 0.245 325 I C 2.707 178.782 176.117 -0.069 0.000 1.102 325 I CA 0.479 61.720 61.300 -0.099 0.000 1.385 325 I CB -0.169 37.759 38.000 -0.120 0.000 1.064 325 I HN 0.020 nan 8.210 nan 0.000 0.414 326 V N 1.018 120.964 119.914 0.052 0.000 2.515 326 V HA -0.246 3.875 4.120 0.001 0.000 0.250 326 V C 2.701 178.851 176.094 0.093 0.000 1.058 326 V CA 1.771 64.083 62.300 0.019 0.000 1.064 326 V CB -0.928 30.873 31.823 -0.037 0.000 0.675 326 V HN 0.476 nan 8.190 nan 0.000 0.461 327 A N -0.319 122.647 122.820 0.244 0.000 1.933 327 A HA -0.209 4.112 4.320 0.001 0.000 0.218 327 A C 2.486 180.107 177.584 0.062 0.000 1.175 327 A CA 2.279 54.440 52.037 0.207 0.000 0.628 327 A CB -0.615 18.458 19.000 0.122 0.000 0.814 327 A HN 0.510 nan 8.150 nan 0.000 0.444 328 S N -0.335 115.367 115.700 0.003 0.000 2.383 328 S HA -0.043 4.428 4.470 0.001 0.000 0.227 328 S C 1.765 176.308 174.600 -0.094 0.000 1.026 328 S CA 1.242 59.421 58.200 -0.035 0.000 0.981 328 S CB -0.421 62.733 63.200 -0.078 0.000 0.818 328 S HN 0.552 nan 8.310 nan 0.000 0.472 329 I N 1.026 121.499 120.570 -0.160 0.000 2.315 329 I HA -0.125 4.046 4.170 0.001 0.000 0.248 329 I C 2.094 178.129 176.117 -0.137 0.000 1.117 329 I CA 0.842 61.980 61.300 -0.271 0.000 1.404 329 I CB -0.366 37.480 38.000 -0.255 0.000 1.071 329 I HN 0.146 nan 8.210 nan 0.000 0.419 330 V N 0.847 120.730 119.914 -0.052 0.000 2.427 330 V HA -0.259 3.861 4.120 0.001 0.000 0.248 330 V C 2.622 178.714 176.094 -0.003 0.000 1.051 330 V CA 1.748 64.045 62.300 -0.005 0.000 1.048 330 V CB -0.681 31.167 31.823 0.042 0.000 0.666 330 V HN 0.374 nan 8.190 nan 0.000 0.456 331 R N 0.541 121.038 120.500 -0.006 0.000 2.066 331 R HA -0.072 4.269 4.340 0.001 0.000 0.232 331 R C 2.039 178.418 176.300 0.132 0.000 1.131 331 R CA 1.748 57.854 56.100 0.009 0.000 0.955 331 R CB -0.841 29.480 30.300 0.035 0.000 0.851 331 R HN 0.473 nan 8.270 nan 0.000 0.432 332 L N -0.041 121.218 121.223 0.061 0.000 2.131 332 L HA -0.051 4.289 4.340 0.001 0.000 0.210 332 L C 2.319 179.089 176.870 -0.167 0.000 1.092 332 L CA 1.242 56.025 54.840 -0.095 0.000 0.759 332 L CB -0.642 41.314 42.059 -0.171 0.000 0.903 332 L HN 0.297 nan 8.230 nan 0.000 0.435 333 A N -0.783 122.060 122.820 0.038 0.000 2.178 333 A HA -0.167 4.154 4.320 0.001 0.000 0.218 333 A C 2.111 179.697 177.584 0.003 0.000 1.157 333 A CA 1.028 53.101 52.037 0.060 0.000 0.689 333 A CB -0.211 18.842 19.000 0.088 0.000 0.787 333 A HN 0.399 nan 8.150 nan 0.000 0.465 334 Q N -1.517 118.326 119.800 0.072 0.000 2.389 334 Q HA 0.033 4.373 4.340 0.001 0.000 0.204 334 Q C 1.134 177.340 176.000 0.342 0.000 0.944 334 Q CA 1.285 57.210 55.803 0.204 0.000 0.908 334 Q CB -0.149 28.730 28.738 0.236 0.000 1.002 334 Q HN 1.006 nan 8.270 nan 0.000 0.493 335 F N -3.089 116.968 119.950 0.178 0.000 2.964 335 F HA 0.600 5.127 4.527 0.001 0.000 0.371 335 F C 0.446 176.288 175.800 0.071 0.000 1.026 335 F CA -0.691 57.402 58.000 0.154 0.000 1.106 335 F CB -0.269 38.874 39.000 0.237 0.000 1.135 335 F HN -0.175 nan 8.300 nan 0.000 0.557 336 A N 4.044 126.428 122.820 -0.728 0.000 2.520 336 A HA 0.457 4.778 4.320 0.001 0.000 0.235 336 A C -2.094 175.223 177.584 -0.446 0.000 1.065 336 A CA -0.836 50.732 52.037 -0.781 0.000 0.764 336 A CB -0.632 17.704 19.000 -1.107 0.000 1.002 336 A HN 0.278 nan 8.150 nan 0.000 0.502 337 P HA 0.393 nan 4.420 nan 0.000 0.276 337 P C -0.220 176.911 177.300 -0.282 0.000 1.252 337 P CA -0.129 62.855 63.100 -0.194 0.000 0.802 337 P CB 0.892 32.567 31.700 -0.042 0.000 1.035 338 A N 2.666 125.350 122.820 -0.226 0.000 2.445 338 A HA 0.293 4.614 4.320 0.001 0.000 0.242 338 A C -1.239 176.106 177.584 -0.399 0.000 1.075 338 A CA -0.738 51.123 52.037 -0.293 0.000 0.777 338 A CB -0.987 17.894 19.000 -0.198 0.000 1.013 338 A HN 0.516 nan 8.150 nan 0.000 0.493 339 P HA 0.087 nan 4.420 nan 0.000 0.263 339 P C 0.322 177.250 177.300 -0.620 0.000 1.448 339 P CA 0.205 63.009 63.100 -0.494 0.000 0.983 339 P CB 0.071 31.535 31.700 -0.394 0.000 1.481 340 H N 0.771 119.494 119.070 -0.579 0.000 2.357 340 H HA -0.010 4.546 4.556 0.000 0.000 0.301 340 H C 2.055 176.604 175.328 -1.300 0.000 1.082 340 H CA 1.673 57.094 56.048 -1.044 0.000 1.342 340 H CB -0.858 28.051 29.762 -1.422 0.000 1.389 340 H HN 0.172 nan 8.280 nan 0.000 0.511 341 A N 1.582 123.967 122.820 -0.725 0.000 1.883 341 A HA -0.153 4.167 4.320 0.001 0.000 0.217 341 A C 2.754 180.162 177.584 -0.292 0.000 1.186 341 A CA 2.099 53.870 52.037 -0.444 0.000 0.624 341 A CB -0.954 17.880 19.000 -0.276 0.000 0.822 341 A HN 0.448 nan 8.150 nan 0.000 0.444 342 A N -0.249 122.406 122.820 -0.274 0.000 1.877 342 A HA 0.131 4.451 4.320 0.001 0.000 0.216 342 A C 2.539 180.040 177.584 -0.137 0.000 1.186 342 A CA 2.309 54.243 52.037 -0.172 0.000 0.620 342 A CB -1.110 17.790 19.000 -0.166 0.000 0.822 342 A HN 1.137 nan 8.150 nan 0.000 0.443 343 A N -0.844 121.854 122.820 -0.204 0.000 1.902 343 A HA -0.072 4.249 4.320 0.001 0.000 0.217 343 A C 2.092 179.748 177.584 0.120 0.000 1.181 343 A CA 1.454 53.456 52.037 -0.059 0.000 0.623 343 A CB -0.888 18.097 19.000 -0.024 0.000 0.818 343 A HN 0.577 nan 8.150 nan 0.000 0.443 344 F N 0.004 119.956 119.950 0.004 0.000 2.171 344 F HA -0.190 4.338 4.527 0.000 0.000 0.300 344 F C 2.444 178.213 175.800 -0.052 0.000 1.090 344 F CA 1.227 59.205 58.000 -0.035 0.000 1.293 344 F CB -0.155 38.782 39.000 -0.105 0.000 1.013 344 F HN 0.175 nan 8.300 nan 0.000 0.486 345 K N 0.284 120.756 120.400 0.119 0.000 2.097 345 K HA -0.190 4.130 4.320 0.001 0.000 0.205 345 K C 1.966 178.575 176.600 0.014 0.000 1.050 345 K CA 1.220 57.529 56.287 0.037 0.000 0.938 345 K CB -0.280 32.220 32.500 0.001 0.000 0.718 345 K HN 0.382 nan 8.250 nan 0.000 0.442 346 Q N 0.524 120.337 119.800 0.022 0.000 2.079 346 Q HA -0.096 4.245 4.340 0.001 0.000 0.200 346 Q C 2.168 178.176 176.000 0.013 0.000 0.974 346 Q CA 1.129 56.936 55.803 0.008 0.000 0.840 346 Q CB -0.059 28.683 28.738 0.005 0.000 0.898 346 Q HN 0.341 nan 8.270 nan 0.000 0.430 347 I N 0.500 121.104 120.570 0.057 0.000 2.202 347 I HA -0.267 3.903 4.170 0.001 0.000 0.242 347 I C 2.446 178.544 176.117 -0.031 0.000 1.091 347 I CA 0.964 62.291 61.300 0.045 0.000 1.368 347 I CB -0.422 37.649 38.000 0.118 0.000 1.058 347 I HN 0.146 nan 8.210 nan 0.000 0.410 348 A N 0.726 123.513 122.820 -0.055 0.000 1.908 348 A HA -0.286 4.035 4.320 0.001 0.000 0.218 348 A C 2.356 179.818 177.584 -0.204 0.000 1.181 348 A CA 2.095 54.031 52.037 -0.168 0.000 0.627 348 A CB -0.577 18.323 19.000 -0.167 0.000 0.818 348 A HN 0.352 nan 8.150 nan 0.000 0.445 349 K N -0.651 119.677 120.400 -0.121 0.000 2.063 349 K HA -0.164 4.156 4.320 0.001 0.000 0.208 349 K C 2.381 178.921 176.600 -0.100 0.000 1.048 349 K CA 1.389 57.614 56.287 -0.104 0.000 0.928 349 K CB -0.181 32.288 32.500 -0.053 0.000 0.713 349 K HN 0.393 nan 8.250 nan 0.000 0.442 350 R N 0.377 120.829 120.500 -0.080 0.000 2.070 350 R HA -0.112 4.229 4.340 0.001 0.000 0.233 350 R C 2.084 178.330 176.300 -0.090 0.000 1.137 350 R CA 1.822 57.881 56.100 -0.068 0.000 0.945 350 R CB -0.418 29.854 30.300 -0.047 0.000 0.845 350 R HN 0.114 nan 8.270 nan 0.000 0.430 351 V N 1.521 121.367 119.914 -0.114 0.000 2.407 351 V HA -0.256 3.864 4.120 0.001 0.000 0.248 351 V C 2.430 178.436 176.094 -0.145 0.000 1.055 351 V CA 1.733 63.964 62.300 -0.115 0.000 1.049 351 V CB -0.436 31.317 31.823 -0.117 0.000 0.662 351 V HN 0.321 nan 8.190 nan 0.000 0.455 352 I N -0.184 120.225 120.570 -0.268 0.000 2.226 352 I HA -0.295 3.875 4.170 0.001 0.000 0.245 352 I C 2.706 178.739 176.117 -0.139 0.000 1.100 352 I CA 1.622 62.730 61.300 -0.321 0.000 1.374 352 I CB -0.395 37.328 38.000 -0.461 0.000 1.057 352 I HN 0.393 nan 8.210 nan 0.000 0.413 353 Q N 0.382 120.128 119.800 -0.091 0.000 2.119 353 Q HA -0.197 4.143 4.340 0.001 0.000 0.201 353 Q C 2.035 178.029 176.000 -0.010 0.000 0.972 353 Q CA 1.210 56.994 55.803 -0.032 0.000 0.847 353 Q CB -0.107 28.616 28.738 -0.025 0.000 0.903 353 Q HN 0.549 nan 8.270 nan 0.000 0.433 354 E N 0.945 121.132 120.200 -0.021 0.000 2.106 354 E HA -0.128 4.222 4.350 0.001 0.000 0.192 354 E C 0.383 177.022 176.600 0.065 0.000 0.984 354 E CA 0.475 56.873 56.400 -0.003 0.000 0.806 354 E CB 0.091 29.760 29.700 -0.052 0.000 0.750 354 E HN 0.147 nan 8.360 nan 0.000 0.458 355 D N 0.755 121.218 120.400 0.106 0.000 2.416 355 D HA -0.022 4.619 4.640 0.001 0.000 0.240 355 D C 0.334 176.734 176.300 0.167 0.000 1.250 355 D CA 0.198 54.332 54.000 0.223 0.000 0.967 355 D CB 0.559 41.581 40.800 0.371 0.000 1.059 355 D HN 0.056 nan 8.370 nan 0.000 0.512 356 T N 0.203 114.851 114.554 0.157 0.000 3.086 356 T HA -0.004 4.346 4.350 0.001 0.000 0.250 356 T C 1.470 176.250 174.700 0.133 0.000 1.074 356 T CA -0.380 61.790 62.100 0.117 0.000 0.988 356 T CB -0.260 68.668 68.868 0.101 0.000 0.988 356 T HN 0.265 nan 8.240 nan 0.000 0.530 357 F N 2.202 122.138 119.950 -0.023 0.000 2.220 357 F HA 0.475 5.002 4.527 0.001 0.000 0.290 357 F C 0.642 176.407 175.800 -0.059 0.000 1.080 357 F CA 0.004 57.939 58.000 -0.107 0.000 1.318 357 F CB -0.062 38.725 39.000 -0.354 0.000 1.063 357 F HN 0.188 nan 8.300 nan 0.000 0.498 358 S N 0.144 115.677 115.700 -0.278 0.000 2.672 358 S HA 0.396 4.866 4.470 0.001 0.000 0.291 358 S C -0.765 173.891 174.600 0.094 0.000 1.145 358 S CA -0.653 57.401 58.200 -0.245 0.000 1.013 358 S CB 0.895 63.933 63.200 -0.271 0.000 1.017 358 S HN 0.347 nan 8.310 nan 0.000 0.487 359 S N 4.238 119.942 115.700 0.006 0.000 2.544 359 S HA 0.109 4.579 4.470 0.001 0.000 0.290 359 S C 1.067 175.573 174.600 -0.157 0.000 1.276 359 S CA -0.288 57.904 58.200 -0.013 0.000 1.075 359 S CB -0.392 62.830 63.200 0.036 0.000 0.849 359 S HN 0.752 nan 8.310 nan 0.000 0.494 360 F N 6.366 125.968 119.950 -0.581 0.000 2.120 360 F HA -0.188 4.339 4.527 0.000 0.000 0.300 360 F C 1.080 176.532 175.800 -0.581 0.000 1.095 360 F CA 1.707 59.107 58.000 -0.999 0.000 1.249 360 F CB -0.363 38.091 39.000 -0.911 0.000 0.995 360 F HN 0.821 nan 8.300 nan 0.000 0.480 361 Y N 0.446 120.590 120.300 -0.260 0.000 2.497 361 Y HA 0.057 4.607 4.550 0.000 0.000 0.292 361 Y C 2.603 178.361 175.900 -0.238 0.000 1.137 361 Y CA 0.625 58.559 58.100 -0.277 0.000 1.285 361 Y CB -1.490 36.928 38.460 -0.071 0.000 0.991 361 Y HN 0.144 nan 8.280 nan 0.000 0.556 362 G N 0.215 108.978 108.800 -0.061 0.000 2.443 362 G HA2 -0.190 3.770 3.960 0.001 0.000 0.219 362 G HA3 -0.190 3.770 3.960 0.001 0.000 0.219 362 G C 0.484 175.350 174.900 -0.057 0.000 1.131 362 G CA 1.262 46.339 45.100 -0.037 0.000 0.775 362 G HN 0.485 nan 8.290 nan 0.000 0.547 363 D N -0.641 119.704 120.400 -0.091 0.000 2.760 363 D HA 0.198 4.839 4.640 0.001 0.000 0.314 363 D C 0.289 176.518 176.300 -0.118 0.000 1.464 363 D CA -0.439 53.526 54.000 -0.059 0.000 0.797 363 D CB -0.135 40.681 40.800 0.027 0.000 1.149 363 D HN 0.303 nan 8.370 nan 0.000 0.455 364 V N -2.432 117.347 119.914 -0.224 0.000 3.113 364 V HA 0.828 4.948 4.120 0.001 0.000 0.316 364 V C 0.531 176.533 176.094 -0.153 0.000 1.125 364 V CA -0.895 61.257 62.300 -0.247 0.000 1.026 364 V CB 1.250 32.754 31.823 -0.532 0.000 1.080 364 V HN 0.199 nan 8.190 nan 0.000 0.444 365 S N 0.293 115.924 115.700 -0.114 0.000 2.584 365 S HA 0.105 4.575 4.470 0.001 0.000 0.270 365 S C 1.397 175.954 174.600 -0.073 0.000 1.346 365 S CA 0.399 58.549 58.200 -0.083 0.000 1.018 365 S CB 0.760 63.910 63.200 -0.084 0.000 0.899 365 S HN 1.634 nan 8.310 nan 0.000 0.542 366 T N -1.247 113.271 114.554 -0.060 0.000 2.788 366 T HA -0.182 4.168 4.350 0.001 0.000 0.268 366 T C 1.250 175.924 174.700 -0.045 0.000 1.044 366 T CA 1.661 63.731 62.100 -0.049 0.000 1.139 366 T CB -0.821 68.021 68.868 -0.044 0.000 0.867 366 T HN 0.709 nan 8.240 nan 0.000 0.454 367 D N 1.091 121.455 120.400 -0.059 0.000 2.144 367 D HA -0.049 4.591 4.640 0.001 0.000 0.200 367 D C 2.239 178.519 176.300 -0.035 0.000 0.978 367 D CA 1.286 55.251 54.000 -0.059 0.000 0.833 367 D CB -0.499 40.242 40.800 -0.098 0.000 0.961 367 D HN 0.403 nan 8.370 nan 0.000 0.470 368 T N 0.027 114.564 114.554 -0.028 0.000 2.788 368 T HA -0.097 4.254 4.350 0.001 0.000 0.268 368 T C 2.043 176.818 174.700 0.124 0.000 1.044 368 T CA 0.827 62.948 62.100 0.036 0.000 1.139 368 T CB -0.182 68.694 68.868 0.014 0.000 0.867 368 T HN 0.211 nan 8.240 nan 0.000 0.454 369 I N 0.681 121.301 120.570 0.084 0.000 2.179 369 I HA -0.175 3.996 4.170 0.001 0.000 0.242 369 I C 2.811 178.971 176.117 0.071 0.000 1.088 369 I CA 1.291 62.677 61.300 0.143 0.000 1.357 369 I CB -0.399 37.617 38.000 0.026 0.000 1.051 369 I HN 0.135 nan 8.210 nan 0.000 0.409 370 R N 1.447 121.956 120.500 0.014 0.000 2.083 370 R HA -0.173 4.167 4.340 0.001 0.000 0.237 370 R C 2.334 178.646 176.300 0.021 0.000 1.137 370 R CA 1.593 57.689 56.100 -0.005 0.000 0.951 370 R CB -0.228 30.061 30.300 -0.018 0.000 0.851 370 R HN 0.312 nan 8.270 nan 0.000 0.434 371 L N 0.048 121.292 121.223 0.035 0.000 2.093 371 L HA -0.061 4.279 4.340 0.001 0.000 0.208 371 L C 2.728 179.642 176.870 0.073 0.000 1.085 371 L CA 1.099 55.962 54.840 0.038 0.000 0.755 371 L CB -0.517 41.551 42.059 0.016 0.000 0.904 371 L HN 0.331 nan 8.230 nan 0.000 0.435 372 A N -0.056 122.853 122.820 0.149 0.000 1.873 372 A HA -0.161 4.159 4.320 0.001 0.000 0.215 372 A C 2.330 180.021 177.584 0.178 0.000 1.186 372 A CA 1.268 53.426 52.037 0.202 0.000 0.616 372 A CB -0.272 19.005 19.000 0.460 0.000 0.823 372 A HN 0.187 nan 8.150 nan 0.000 0.442 373 K N -0.044 120.445 120.400 0.148 0.000 2.103 373 K HA -0.107 4.214 4.320 0.001 0.000 0.207 373 K C 2.212 178.830 176.600 0.029 0.000 1.048 373 K CA 1.238 57.553 56.287 0.047 0.000 0.930 373 K CB -0.573 31.884 32.500 -0.072 0.000 0.716 373 K HN 0.466 nan 8.250 nan 0.000 0.444 374 A N 1.277 124.112 122.820 0.026 0.000 1.972 374 A HA -0.121 4.199 4.320 0.001 0.000 0.219 374 A C 2.198 179.792 177.584 0.016 0.000 1.169 374 A CA 1.156 53.202 52.037 0.014 0.000 0.635 374 A CB -0.421 18.587 19.000 0.014 0.000 0.810 374 A HN 0.178 nan 8.150 nan 0.000 0.446 375 I N -0.879 119.706 120.570 0.024 0.000 2.235 375 I HA -0.148 4.022 4.170 0.001 0.000 0.241 375 I C 2.312 178.436 176.117 0.012 0.000 1.085 375 I CA 0.854 62.161 61.300 0.012 0.000 1.378 375 I CB -0.306 37.697 38.000 0.004 0.000 1.076 375 I HN 0.124 nan 8.210 nan 0.000 0.415 376 V N 0.805 120.738 119.914 0.032 0.000 2.392 376 V HA -0.289 3.832 4.120 0.001 0.000 0.249 376 V C 1.660 177.770 176.094 0.026 0.000 1.059 376 V CA 1.873 64.195 62.300 0.037 0.000 1.051 376 V CB -0.663 31.220 31.823 0.099 0.000 0.658 376 V HN 0.413 nan 8.190 nan 0.000 0.455 377 D N -0.544 119.868 120.400 0.021 0.000 2.363 377 D HA -0.012 4.628 4.640 0.001 0.000 0.220 377 D C 0.767 177.068 176.300 0.002 0.000 0.994 377 D CA 0.408 54.413 54.000 0.007 0.000 0.890 377 D CB -0.131 40.668 40.800 -0.002 0.000 0.906 377 D HN 0.392 nan 8.370 nan 0.000 0.530 378 D N 1.224 121.625 120.400 0.001 0.000 2.365 378 D HA 0.042 4.682 4.640 0.001 0.000 0.237 378 D C -1.408 174.888 176.300 -0.006 0.000 1.190 378 D CA -1.973 52.024 54.000 -0.004 0.000 0.867 378 D CB 1.783 42.580 40.800 -0.006 0.000 1.050 378 D HN -0.012 nan 8.370 nan 0.000 0.491 379 P HA -0.132 nan 4.420 nan 0.000 0.225 379 P C 0.991 178.285 177.300 -0.011 0.000 1.148 379 P CA 0.618 63.714 63.100 -0.007 0.000 0.779 379 P CB 0.188 31.884 31.700 -0.006 0.000 0.780 380 S N -1.097 114.595 115.700 -0.013 0.000 2.561 380 S HA 0.060 4.530 4.470 0.001 0.000 0.225 380 S C 0.944 175.531 174.600 -0.021 0.000 0.977 380 S CA -0.131 58.058 58.200 -0.017 0.000 0.926 380 S CB -0.873 62.315 63.200 -0.019 0.000 0.769 380 S HN 0.072 nan 8.310 nan 0.000 0.533 381 I N 2.220 122.778 120.570 -0.018 0.000 2.330 381 I HA 0.547 4.718 4.170 0.001 0.000 0.289 381 I C 0.219 176.325 176.117 -0.019 0.000 1.001 381 I CA -0.724 60.563 61.300 -0.021 0.000 1.193 381 I CB 1.413 39.401 38.000 -0.019 0.000 1.345 381 I HN 0.197 nan 8.210 nan 0.000 0.461 382 A N 8.315 131.123 122.820 -0.021 0.000 2.303 382 A HA 0.756 5.076 4.320 0.001 0.000 0.317 382 A C -2.550 175.023 177.584 -0.019 0.000 1.149 382 A CA -1.698 50.328 52.037 -0.018 0.000 0.822 382 A CB 0.381 19.370 19.000 -0.019 0.000 1.131 382 A HN 0.387 nan 8.150 nan 0.000 0.493 383 P HA 0.267 nan 4.420 nan 0.000 0.268 383 P C -0.040 177.250 177.300 -0.017 0.000 1.205 383 P CA 0.273 63.360 63.100 -0.021 0.000 0.771 383 P CB 0.676 32.362 31.700 -0.023 0.000 0.858 384 A N 2.988 125.801 122.820 -0.012 0.000 2.346 384 A HA 0.523 4.844 4.320 0.001 0.000 0.252 384 A C 0.452 178.031 177.584 -0.009 0.000 1.089 384 A CA -0.031 52.004 52.037 -0.004 0.000 0.797 384 A CB -0.296 18.715 19.000 0.019 0.000 1.047 384 A HN 0.591 nan 8.150 nan 0.000 0.494 385 A N 0.254 123.068 122.820 -0.009 0.000 2.386 385 A HA 0.552 4.873 4.320 0.001 0.000 0.248 385 A C 0.833 178.412 177.584 -0.009 0.000 1.082 385 A CA 0.217 52.247 52.037 -0.011 0.000 0.789 385 A CB -0.327 18.665 19.000 -0.014 0.000 1.025 385 A HN 2.144 nan 8.150 nan 0.000 0.490 386 A N 2.850 125.661 122.820 -0.015 0.000 2.386 386 A HA 0.581 4.901 4.320 0.001 0.000 0.248 386 A C -1.811 175.769 177.584 -0.007 0.000 1.082 386 A CA -1.123 50.902 52.037 -0.019 0.000 0.789 386 A CB -0.513 18.468 19.000 -0.032 0.000 1.025 386 A HN 0.749 nan 8.150 nan 0.000 0.490 387 P HA 0.142 nan 4.420 nan 0.000 0.271 387 P C -1.020 176.275 177.300 -0.009 0.000 1.218 387 P CA -0.110 62.995 63.100 0.009 0.000 0.780 387 P CB 0.477 32.195 31.700 0.029 0.000 0.901 388 N N 2.642 121.329 118.700 -0.021 0.000 2.594 388 N HA 0.424 5.164 4.740 0.001 0.000 0.280 388 N C -0.995 174.485 175.510 -0.050 0.000 1.156 388 N CA -0.565 52.460 53.050 -0.042 0.000 0.831 388 N CB 0.411 38.874 38.487 -0.039 0.000 1.379 388 N HN 0.304 nan 8.380 nan 0.000 0.536 389 L N 0.019 121.213 121.223 -0.048 0.000 3.207 389 L HA 0.497 4.838 4.340 0.001 0.000 0.286 389 L C -2.215 174.664 176.870 0.015 0.000 0.968 389 L CA -0.854 53.962 54.840 -0.039 0.000 1.023 389 L CB 0.092 42.126 42.059 -0.042 0.000 1.564 389 L HN 0.454 nan 8.230 nan 0.000 0.384 390 Y N 1.167 121.417 120.300 -0.083 0.000 2.350 390 Y HA 0.738 5.288 4.550 0.001 0.000 0.338 390 Y C -0.656 175.197 175.900 -0.079 0.000 0.961 390 Y CA -0.376 57.696 58.100 -0.046 0.000 1.100 390 Y CB 1.573 40.028 38.460 -0.010 0.000 1.179 390 Y HN 0.824 nan 8.280 nan 0.000 0.454 391 K N 4.864 124.866 120.400 -0.664 0.000 2.443 391 K HA 0.331 4.651 4.320 0.001 0.000 0.252 391 K C -1.632 174.539 176.600 -0.716 0.000 0.933 391 K CA -0.934 55.018 56.287 -0.559 0.000 0.792 391 K CB 1.825 33.996 32.500 -0.549 0.000 1.185 391 K HN 0.725 nan 8.250 nan 0.000 0.425 392 Q N 2.941 122.477 119.800 -0.441 0.000 2.340 392 Q HA 0.209 4.549 4.340 0.001 0.000 0.259 392 Q C -1.673 174.151 176.000 -0.293 0.000 0.964 392 Q CA -0.225 55.424 55.803 -0.257 0.000 0.900 392 Q CB 0.740 29.476 28.738 -0.003 0.000 1.228 392 Q HN 0.525 nan 8.270 nan 0.000 0.449 393 Y N 3.253 123.492 120.300 -0.101 0.000 2.817 393 Y HA 0.301 4.851 4.550 0.000 0.000 0.339 393 Y C 1.204 177.044 175.900 -0.098 0.000 1.281 393 Y CA -0.292 57.750 58.100 -0.097 0.000 1.564 393 Y CB 0.279 38.676 38.460 -0.105 0.000 1.628 393 Y HN 0.916 nan 8.280 nan 0.000 0.489 394 A N 1.767 124.591 122.820 0.007 0.000 1.948 394 A HA -0.253 4.067 4.320 0.001 0.000 0.220 394 A C 2.333 179.875 177.584 -0.071 0.000 1.177 394 A CA 1.993 54.017 52.037 -0.022 0.000 0.636 394 A CB -0.589 18.390 19.000 -0.035 0.000 0.815 394 A HN 0.688 nan 8.150 nan 0.000 0.449 395 A N -0.562 122.169 122.820 -0.149 0.000 2.168 395 A HA 0.187 4.508 4.320 0.001 0.000 0.215 395 A C 1.791 179.155 177.584 -0.366 0.000 1.152 395 A CA 1.388 53.203 52.037 -0.371 0.000 0.716 395 A CB -0.553 17.944 19.000 -0.839 0.000 0.794 395 A HN 0.927 nan 8.150 nan 0.000 0.465 396 M N -3.913 115.570 119.600 -0.195 0.000 2.625 396 M HA 0.347 4.827 4.480 0.001 0.000 0.396 396 M C -0.815 175.455 176.300 -0.051 0.000 1.174 396 M CA -0.247 54.965 55.300 -0.147 0.000 0.898 396 M CB 0.329 32.827 32.600 -0.170 0.000 1.450 396 M HN -0.053 nan 8.290 nan 0.000 0.522 397 D N 2.213 122.606 120.400 -0.012 0.000 2.689 397 D HA -0.129 4.512 4.640 0.001 0.000 0.237 397 D C -0.582 175.747 176.300 0.048 0.000 1.148 397 D CA 0.888 54.913 54.000 0.041 0.000 0.656 397 D CB -0.418 40.424 40.800 0.071 0.000 1.050 397 D HN 0.499 nan 8.370 nan 0.000 0.426 398 R N -0.500 120.033 120.500 0.054 0.000 2.888 398 R HA 0.942 5.282 4.340 0.001 0.000 0.266 398 R C -0.259 176.103 176.300 0.104 0.000 1.020 398 R CA -0.710 55.422 56.100 0.052 0.000 0.963 398 R CB 2.161 32.452 30.300 -0.016 0.000 1.197 398 R HN 0.086 nan 8.270 nan 0.000 0.481 399 A N 0.303 123.152 122.820 0.049 0.000 2.594 399 A HA 0.687 5.007 4.320 0.001 0.000 0.295 399 A C -1.585 175.949 177.584 -0.083 0.000 1.071 399 A CA -0.638 51.359 52.037 -0.068 0.000 0.685 399 A CB 2.083 21.026 19.000 -0.096 0.000 1.285 399 A HN 0.379 nan 8.150 nan 0.000 0.405 400 V N 1.647 121.422 119.914 -0.232 0.000 2.971 400 V HA 0.789 4.909 4.120 0.001 0.000 0.309 400 V C -1.983 174.001 176.094 -0.184 0.000 1.130 400 V CA -0.606 61.627 62.300 -0.112 0.000 0.964 400 V CB 1.934 33.764 31.823 0.011 0.000 1.029 400 V HN 1.353 nan 8.190 nan 0.000 0.427 401 L N 5.360 126.588 121.223 0.008 0.000 2.349 401 L HA 0.680 5.020 4.340 0.001 0.000 0.278 401 L C -0.763 176.115 176.870 0.014 0.000 0.996 401 L CA 0.196 55.088 54.840 0.086 0.000 0.825 401 L CB 1.888 44.106 42.059 0.265 0.000 1.243 401 L HN 0.695 nan 8.230 nan 0.000 0.412 402 Q N 5.488 125.259 119.800 -0.047 0.000 2.330 402 Q HA 0.605 4.946 4.340 0.001 0.000 0.269 402 Q C -0.994 174.889 176.000 -0.195 0.000 1.022 402 Q CA -0.710 55.035 55.803 -0.097 0.000 0.796 402 Q CB 2.708 31.437 28.738 -0.016 0.000 1.271 402 Q HN 0.575 nan 8.270 nan 0.000 0.450 403 R N 1.479 121.753 120.500 -0.377 0.000 2.817 403 R HA 0.573 4.913 4.340 0.001 0.000 0.268 403 R C -2.629 173.542 176.300 -0.216 0.000 1.027 403 R CA -2.226 53.652 56.100 -0.370 0.000 0.928 403 R CB 0.719 30.609 30.300 -0.683 0.000 1.228 403 R HN 0.342 nan 8.270 nan 0.000 0.469 404 P HA 0.155 nan 4.420 nan 0.000 0.271 404 P C 0.518 177.880 177.300 0.105 0.000 1.226 404 P CA 0.816 63.934 63.100 0.031 0.000 0.765 404 P CB 0.446 32.177 31.700 0.051 0.000 0.835 405 G N 2.240 111.157 108.800 0.194 0.000 2.195 405 G HA2 -0.200 3.761 3.960 0.001 0.000 0.246 405 G HA3 -0.200 3.761 3.960 0.001 0.000 0.246 405 G C -0.085 175.079 174.900 0.439 0.000 0.984 405 G CA 0.229 45.514 45.100 0.307 0.000 0.633 405 G HN 0.660 nan 8.290 nan 0.000 0.525 406 F N -2.045 118.039 119.950 0.222 0.000 2.799 406 F HA 0.793 5.320 4.527 0.001 0.000 0.316 406 F C -0.847 174.926 175.800 -0.044 0.000 1.155 406 F CA -0.953 57.037 58.000 -0.016 0.000 0.916 406 F CB 0.614 39.616 39.000 0.003 0.000 1.294 406 F HN 1.151 nan 8.300 nan 0.000 0.447 407 A N 2.736 125.543 122.820 -0.021 0.000 2.486 407 A HA 0.790 5.110 4.320 0.001 0.000 0.300 407 A C -2.523 175.279 177.584 0.363 0.000 1.048 407 A CA -0.779 51.287 52.037 0.049 0.000 0.696 407 A CB 2.031 20.991 19.000 -0.067 0.000 1.278 407 A HN 1.275 nan 8.150 nan 0.000 0.405 408 L N 2.392 123.823 121.223 0.347 0.000 2.376 408 L HA 0.783 5.124 4.340 0.001 0.000 0.275 408 L C 0.020 177.039 176.870 0.248 0.000 0.987 408 L CA 0.030 55.075 54.840 0.342 0.000 0.828 408 L CB 0.988 43.252 42.059 0.342 0.000 1.249 408 L HN 0.950 nan 8.230 nan 0.000 0.409 409 G N 4.691 113.669 108.800 0.297 0.000 2.379 409 G HA2 0.550 4.510 3.960 0.001 0.000 0.327 409 G HA3 0.550 4.510 3.960 0.001 0.000 0.327 409 G C -1.702 173.309 174.900 0.186 0.000 1.145 409 G CA -0.442 44.778 45.100 0.200 0.000 0.905 409 G HN 0.505 nan 8.290 nan 0.000 0.466 410 L N 2.384 123.635 121.223 0.045 0.000 2.325 410 L HA 0.817 5.157 4.340 0.001 0.000 0.281 410 L C 0.053 176.902 176.870 -0.035 0.000 1.004 410 L CA -0.773 54.014 54.840 -0.088 0.000 0.823 410 L CB 1.634 43.501 42.059 -0.320 0.000 1.236 410 L HN 0.645 nan 8.230 nan 0.000 0.415 411 A N 6.677 129.524 122.820 0.046 0.000 2.287 411 A HA 0.808 5.128 4.320 0.001 0.000 0.317 411 A C -1.017 176.634 177.584 0.113 0.000 1.220 411 A CA -0.482 51.614 52.037 0.098 0.000 0.835 411 A CB 0.369 19.497 19.000 0.213 0.000 1.180 411 A HN 0.743 nan 8.150 nan 0.000 0.500 412 L N 1.413 122.713 121.223 0.128 0.000 2.235 412 L HA 0.825 5.165 4.340 0.001 0.000 0.260 412 L C -0.388 176.676 176.870 0.322 0.000 1.025 412 L CA -1.150 53.828 54.840 0.229 0.000 0.836 412 L CB 1.764 43.925 42.059 0.170 0.000 1.395 412 L HN 0.868 nan 8.230 nan 0.000 0.443 413 Y N -0.985 119.408 120.300 0.155 0.000 2.670 413 Y HA 0.814 5.364 4.550 0.000 0.000 0.334 413 Y C -0.610 175.371 175.900 0.135 0.000 1.185 413 Y CA -0.394 57.781 58.100 0.124 0.000 1.053 413 Y CB 1.693 40.238 38.460 0.142 0.000 1.298 413 Y HN 0.718 nan 8.280 nan 0.000 0.459 414 S N -1.179 114.477 115.700 -0.073 0.000 2.862 414 S HA 0.215 4.685 4.470 0.001 0.000 0.300 414 S C 0.324 174.910 174.600 -0.024 0.000 1.240 414 S CA -0.223 57.887 58.200 -0.150 0.000 1.025 414 S CB 0.501 63.689 63.200 -0.020 0.000 1.340 414 S HN 1.246 nan 8.310 nan 0.000 0.544 415 T N -0.431 114.120 114.554 -0.006 0.000 3.035 415 T HA 0.135 4.485 4.350 0.001 0.000 0.268 415 T C 1.387 176.093 174.700 0.011 0.000 1.109 415 T CA 0.844 62.954 62.100 0.017 0.000 1.119 415 T CB -0.446 68.434 68.868 0.021 0.000 0.900 415 T HN 0.583 nan 8.240 nan 0.000 0.503 416 R N -0.108 120.393 120.500 0.003 0.000 2.225 416 R HA 0.374 4.715 4.340 0.001 0.000 0.194 416 R C 0.010 176.282 176.300 -0.046 0.000 0.957 416 R CA 0.170 56.259 56.100 -0.018 0.000 1.042 416 R CB 0.455 30.744 30.300 -0.019 0.000 1.004 416 R HN 0.325 nan 8.270 nan 0.000 0.509 417 I N 0.821 121.382 120.570 -0.015 0.000 2.545 417 I HA 0.240 4.411 4.170 0.001 0.000 0.292 417 I C -0.014 176.121 176.117 0.030 0.000 1.040 417 I CA -0.674 60.602 61.300 -0.041 0.000 1.068 417 I CB 1.992 39.997 38.000 0.008 0.000 1.251 417 I HN -0.065 nan 8.210 nan 0.000 0.424 418 S N 2.759 118.354 115.700 -0.174 0.000 2.585 418 S HA 0.109 4.579 4.470 0.001 0.000 0.273 418 S C 1.464 176.086 174.600 0.037 0.000 1.339 418 S CA -0.212 57.917 58.200 -0.119 0.000 1.028 418 S CB 1.131 64.037 63.200 -0.489 0.000 0.906 418 S HN 0.786 nan 8.310 nan 0.000 0.528 419 S N 1.301 116.957 115.700 -0.073 0.000 2.359 419 S HA -0.111 4.360 4.470 0.001 0.000 0.224 419 S C 0.231 174.933 174.600 0.170 0.000 1.035 419 S CA 1.368 59.425 58.200 -0.238 0.000 1.018 419 S CB -0.691 62.322 63.200 -0.311 0.000 0.876 419 S HN 0.939 nan 8.310 nan 0.000 0.448 420 Y N -1.165 119.156 120.300 0.035 0.000 2.732 420 Y HA 0.695 5.246 4.550 0.001 0.000 0.342 420 Y C -1.234 174.778 175.900 0.186 0.000 1.203 420 Y CA -1.645 56.492 58.100 0.060 0.000 1.092 420 Y CB 0.538 38.938 38.460 -0.100 0.000 1.345 420 Y HN 0.172 nan 8.280 nan 0.000 0.458 421 E N 1.334 121.447 120.200 -0.144 0.000 2.179 421 E HA 0.635 4.986 4.350 0.001 0.000 0.275 421 E C -1.419 175.010 176.600 -0.285 0.000 0.945 421 E CA -0.809 55.301 56.400 -0.482 0.000 0.792 421 E CB 1.583 30.640 29.700 -1.072 0.000 1.125 421 E HN 0.704 nan 8.360 nan 0.000 0.397 422 S N 5.689 121.230 115.700 -0.265 0.000 2.571 422 S HA 0.432 4.903 4.470 0.001 0.000 0.238 422 S C -0.898 173.656 174.600 -0.077 0.000 1.153 422 S CA -0.670 57.461 58.200 -0.116 0.000 1.141 422 S CB -0.170 63.014 63.200 -0.026 0.000 1.133 422 S HN 0.536 nan 8.310 nan 0.000 0.464 423 I N 0.826 121.369 120.570 -0.045 0.000 3.074 423 I HA 0.661 4.832 4.170 0.001 0.000 0.310 423 I C -0.272 175.861 176.117 0.028 0.000 1.153 423 I CA -1.118 60.183 61.300 0.002 0.000 0.993 423 I CB 1.690 39.706 38.000 0.028 0.000 1.237 423 I HN 0.428 nan 8.210 nan 0.000 0.443 424 N N 1.665 120.406 118.700 0.069 0.000 2.708 424 N HA -0.221 4.519 4.740 0.001 0.000 0.249 424 N C 0.188 175.739 175.510 0.068 0.000 1.097 424 N CA 1.324 54.445 53.050 0.117 0.000 0.710 424 N CB -1.373 37.193 38.487 0.132 0.000 1.032 424 N HN 0.858 nan 8.380 nan 0.000 0.551 425 S N -2.398 113.322 115.700 0.034 0.000 3.490 425 S HA -0.232 4.238 4.470 0.001 0.000 0.301 425 S C -0.022 174.581 174.600 0.005 0.000 1.233 425 S CA 1.311 59.523 58.200 0.021 0.000 0.914 425 S CB -0.849 62.372 63.200 0.035 0.000 1.047 425 S HN 0.653 nan 8.310 nan 0.000 0.602 426 E N 1.069 121.262 120.200 -0.012 0.000 2.195 426 E HA 0.509 4.860 4.350 0.001 0.000 0.271 426 E C 0.614 177.174 176.600 -0.067 0.000 0.923 426 E CA -0.762 55.615 56.400 -0.038 0.000 0.790 426 E CB 0.836 30.503 29.700 -0.054 0.000 1.155 426 E HN 0.359 nan 8.360 nan 0.000 0.402 427 N N 1.476 120.116 118.700 -0.100 0.000 2.754 427 N HA -0.188 4.552 4.740 0.001 0.000 0.248 427 N C 0.720 176.120 175.510 -0.183 0.000 1.093 427 N CA 0.138 53.091 53.050 -0.161 0.000 0.699 427 N CB -0.549 37.853 38.487 -0.142 0.000 1.016 427 N HN 0.797 nan 8.380 nan 0.000 0.552 428 G N -0.198 108.487 108.800 -0.191 0.000 2.535 428 G HA2 -0.164 3.797 3.960 0.001 0.000 0.218 428 G HA3 -0.164 3.797 3.960 0.001 0.000 0.218 428 G C 1.132 175.649 174.900 -0.638 0.000 1.122 428 G CA 0.545 45.516 45.100 -0.215 0.000 0.769 428 G HN 0.487 nan 8.290 nan 0.000 0.549 429 R N -0.127 119.821 120.500 -0.919 0.000 2.700 429 R HA 0.209 4.549 4.340 0.001 0.000 0.399 429 R C 1.625 177.047 176.300 -1.464 0.000 1.115 429 R CA 0.139 55.155 56.100 -1.807 0.000 1.058 429 R CB 0.858 30.433 30.300 -1.208 0.000 1.389 429 R HN 0.148 nan 8.270 nan 0.000 0.582 430 G N -0.022 108.045 108.800 -1.221 0.000 3.088 430 G HA2 -0.089 3.871 3.960 0.001 0.000 0.212 430 G HA3 -0.089 3.871 3.960 0.001 0.000 0.212 430 G C 0.737 174.914 174.900 -1.205 0.000 1.173 430 G CA -0.350 44.210 45.100 -0.900 0.000 0.779 430 G HN 0.288 nan 8.290 nan 0.000 0.540 431 W N 0.858 121.305 121.300 -1.422 0.000 2.272 431 W HA -0.247 4.413 4.660 0.001 0.000 0.344 431 W C 1.271 177.221 176.519 -0.948 0.000 1.390 431 W CA 1.200 57.700 57.345 -1.408 0.000 1.331 431 W CB -1.167 27.609 29.460 -1.139 0.000 1.103 431 W HN 0.394 nan 8.180 nan 0.000 0.470 432 Y N 0.367 120.653 120.300 -0.023 0.000 2.524 432 Y HA 0.070 4.620 4.550 0.001 0.000 0.266 432 Y C 2.300 178.258 175.900 0.097 0.000 1.180 432 Y CA 0.921 59.058 58.100 0.060 0.000 1.244 432 Y CB -1.006 37.526 38.460 0.120 0.000 1.125 432 Y HN -0.059 nan 8.280 nan 0.000 0.524 433 T N -3.873 110.762 114.554 0.134 0.000 3.051 433 T HA -0.004 4.346 4.350 0.001 0.000 0.269 433 T C 1.608 176.466 174.700 0.262 0.000 1.127 433 T CA 1.193 63.424 62.100 0.219 0.000 1.107 433 T CB -0.157 68.737 68.868 0.043 0.000 0.898 433 T HN 0.398 nan 8.240 nan 0.000 0.517 434 G N -0.134 108.792 108.800 0.210 0.000 4.424 434 G HA2 0.565 4.526 3.960 0.001 0.000 0.287 434 G HA3 0.565 4.526 3.960 0.001 0.000 0.287 434 G C 0.247 175.338 174.900 0.319 0.000 1.023 434 G CA -0.039 45.199 45.100 0.229 0.000 0.790 434 G HN 0.603 nan 8.290 nan 0.000 0.468 435 A N 0.320 123.368 122.820 0.379 0.000 3.232 435 A HA 0.623 4.943 4.320 0.001 0.000 0.312 435 A C 1.350 179.240 177.584 0.510 0.000 1.185 435 A CA 0.232 52.605 52.037 0.560 0.000 1.011 435 A CB -0.547 18.853 19.000 0.666 0.000 1.096 435 A HN 1.582 nan 8.150 nan 0.000 0.543 436 G N -0.397 108.644 108.800 0.403 0.000 2.171 436 G HA2 0.152 4.112 3.960 0.001 0.000 0.238 436 G HA3 0.152 4.112 3.960 0.001 0.000 0.238 436 G C 0.362 175.443 174.900 0.302 0.000 1.039 436 G CA 0.187 45.529 45.100 0.403 0.000 0.759 436 G HN 1.862 nan 8.290 nan 0.000 0.501 437 A N 0.438 123.369 122.820 0.185 0.000 2.328 437 A HA 0.816 5.136 4.320 0.001 0.000 0.284 437 A C 0.786 178.348 177.584 -0.036 0.000 1.160 437 A CA 0.770 52.859 52.037 0.086 0.000 0.818 437 A CB 0.508 19.570 19.000 0.104 0.000 1.087 437 A HN 1.733 nan 8.150 nan 0.000 0.504 438 T N -0.107 114.389 114.554 -0.097 0.000 2.824 438 T HA 0.656 5.007 4.350 0.001 0.000 0.280 438 T C -0.958 173.612 174.700 -0.217 0.000 0.995 438 T CA -0.330 61.746 62.100 -0.040 0.000 1.009 438 T CB 0.622 69.567 68.868 0.129 0.000 0.955 438 T HN 0.379 nan 8.240 nan 0.000 0.452 439 Y N 1.858 122.199 120.300 0.068 0.000 2.338 439 Y HA 0.599 5.149 4.550 0.001 0.000 0.333 439 Y C -0.513 175.395 175.900 0.012 0.000 0.968 439 Y CA -1.381 56.715 58.100 -0.007 0.000 1.123 439 Y CB 1.788 40.169 38.460 -0.131 0.000 1.165 439 Y HN 0.660 nan 8.280 nan 0.000 0.452 440 L N 4.794 126.059 121.223 0.071 0.000 2.296 440 L HA 0.561 4.901 4.340 0.001 0.000 0.286 440 L C -1.746 175.012 176.870 -0.187 0.000 1.023 440 L CA -0.922 53.934 54.840 0.026 0.000 0.812 440 L CB 0.353 42.415 42.059 0.005 0.000 1.223 440 L HN 0.470 nan 8.230 nan 0.000 0.421 441 Y N 5.253 125.562 120.300 0.015 0.000 2.335 441 Y HA 0.508 5.059 4.550 0.001 0.000 0.338 441 Y C 0.485 176.187 175.900 -0.330 0.000 0.977 441 Y CA -0.423 57.572 58.100 -0.175 0.000 1.114 441 Y CB 1.187 39.391 38.460 -0.426 0.000 1.182 441 Y HN 0.771 nan 8.280 nan 0.000 0.463 442 N N 0.322 119.021 118.700 -0.002 0.000 3.550 442 N HA 0.143 4.883 4.740 0.001 0.000 0.345 442 N C 0.283 175.956 175.510 0.272 0.000 1.647 442 N CA -0.728 52.398 53.050 0.126 0.000 0.737 442 N CB 0.696 39.233 38.487 0.083 0.000 2.178 442 N HN 0.359 nan 8.380 nan 0.000 0.638 443 Q N 0.510 120.442 119.800 0.220 0.000 2.439 443 Q HA -0.060 4.280 4.340 0.001 0.000 0.211 443 Q C -0.511 175.567 176.000 0.129 0.000 0.978 443 Q CA 1.175 57.096 55.803 0.197 0.000 0.897 443 Q CB -0.720 28.107 28.738 0.147 0.000 0.956 443 Q HN 0.543 nan 8.270 nan 0.000 0.483 444 D N -0.251 120.189 120.400 0.067 0.000 2.551 444 D HA 0.002 4.642 4.640 0.001 0.000 0.223 444 D C 0.638 176.918 176.300 -0.033 0.000 1.144 444 D CA -0.009 53.981 54.000 -0.016 0.000 1.025 444 D CB -0.211 40.536 40.800 -0.089 0.000 1.085 444 D HN 0.280 nan 8.370 nan 0.000 0.506 445 L N 1.597 122.829 121.223 0.014 0.000 2.265 445 L HA -0.106 4.234 4.340 0.001 0.000 0.215 445 L C 2.069 178.720 176.870 -0.364 0.000 1.117 445 L CA 1.022 55.881 54.840 0.032 0.000 0.782 445 L CB -0.385 41.721 42.059 0.079 0.000 0.914 445 L HN 0.352 nan 8.230 nan 0.000 0.441 446 A N -0.726 121.743 122.820 -0.584 0.000 2.251 446 A HA -0.088 4.232 4.320 0.001 0.000 0.209 446 A C 2.093 179.417 177.584 -0.433 0.000 1.187 446 A CA 0.375 51.918 52.037 -0.823 0.000 0.823 446 A CB -0.119 18.536 19.000 -0.575 0.000 0.846 446 A HN 0.334 nan 8.150 nan 0.000 0.486 447 Q N -0.048 119.509 119.800 -0.406 0.000 2.082 447 Q HA -0.240 4.100 4.340 0.001 0.000 0.211 447 Q C 0.865 176.388 176.000 -0.795 0.000 1.002 447 Q CA 2.483 57.924 55.803 -0.603 0.000 0.868 447 Q CB -0.578 27.654 28.738 -0.843 0.000 0.931 447 Q HN 0.715 nan 8.270 nan 0.000 0.414 448 Y N -0.479 119.580 120.300 -0.402 0.000 2.457 448 Y HA 0.387 4.937 4.550 0.001 0.000 0.263 448 Y C 0.827 176.659 175.900 -0.113 0.000 1.164 448 Y CA -0.057 57.724 58.100 -0.532 0.000 1.274 448 Y CB 0.473 38.724 38.460 -0.347 0.000 1.097 448 Y HN -0.045 nan 8.280 nan 0.000 0.523 449 S N -0.905 114.822 115.700 0.044 0.000 2.667 449 S HA 0.213 4.684 4.470 0.001 0.000 0.292 449 S C 0.018 174.736 174.600 0.197 0.000 1.108 449 S CA -0.793 57.525 58.200 0.198 0.000 0.992 449 S CB 0.643 63.944 63.200 0.168 0.000 1.269 449 S HN 0.267 nan 8.310 nan 0.000 0.528 450 E N 1.604 121.980 120.200 0.294 0.000 2.252 450 E HA -0.185 4.165 4.350 0.001 0.000 0.218 450 E C -1.184 175.562 176.600 0.242 0.000 1.253 450 E CA 0.512 57.067 56.400 0.258 0.000 0.705 450 E CB -1.710 28.092 29.700 0.170 0.000 1.172 450 E HN 0.620 nan 8.360 nan 0.000 0.369 451 D N -2.482 118.153 120.400 0.392 0.000 2.800 451 D HA -0.273 4.368 4.640 0.001 0.000 0.232 451 D C 0.307 176.630 176.300 0.039 0.000 1.137 451 D CA 1.334 55.501 54.000 0.279 0.000 0.718 451 D CB -1.549 39.377 40.800 0.209 0.000 1.084 451 D HN 0.623 nan 8.370 nan 0.000 0.432 452 Y N -0.543 119.725 120.300 -0.052 0.000 2.133 452 Y HA -0.156 4.394 4.550 0.001 0.000 0.287 452 Y C 2.202 177.899 175.900 -0.338 0.000 1.134 452 Y CA 1.977 59.961 58.100 -0.194 0.000 1.133 452 Y CB -0.411 37.854 38.460 -0.325 0.000 0.987 452 Y HN 0.178 nan 8.280 nan 0.000 0.502 453 W N 1.330 122.648 121.300 0.031 0.000 2.342 453 W HA -0.144 4.516 4.660 0.001 0.000 0.297 453 W C -0.446 175.765 176.519 -0.513 0.000 1.213 453 W CA 1.176 58.393 57.345 -0.213 0.000 1.251 453 W CB -1.410 28.012 29.460 -0.063 0.000 1.136 453 W HN 0.212 nan 8.180 nan 0.000 0.526 454 P HA 0.028 nan 4.420 nan 0.000 0.245 454 P C 1.020 178.098 177.300 -0.371 0.000 1.206 454 P CA 1.681 64.432 63.100 -0.582 0.000 0.781 454 P CB 0.234 31.332 31.700 -1.003 0.000 0.994 455 T N -4.094 110.257 114.554 -0.338 0.000 2.999 455 T HA 0.114 4.464 4.350 0.001 0.000 0.247 455 T C 0.898 175.354 174.700 -0.407 0.000 1.012 455 T CA -0.064 61.895 62.100 -0.234 0.000 1.048 455 T CB -0.825 68.018 68.868 -0.041 0.000 1.020 455 T HN -0.115 nan 8.240 nan 0.000 0.478 456 V N 3.165 122.671 119.914 -0.680 0.000 2.999 456 V HA 0.199 4.319 4.120 0.001 0.000 0.307 456 V C -0.020 175.690 176.094 -0.639 0.000 1.084 456 V CA -0.180 61.460 62.300 -1.099 0.000 1.155 456 V CB 0.695 31.720 31.823 -1.329 0.000 0.975 456 V HN 0.534 nan 8.190 nan 0.000 0.490 457 D N 4.749 124.793 120.400 -0.592 0.000 2.344 457 D HA 0.277 4.917 4.640 0.001 0.000 0.253 457 D C 0.824 177.010 176.300 -0.190 0.000 1.255 457 D CA 0.545 54.367 54.000 -0.297 0.000 0.894 457 D CB 1.245 41.892 40.800 -0.254 0.000 1.067 457 D HN 0.690 nan 8.370 nan 0.000 0.492 458 A N 3.961 126.694 122.820 -0.145 0.000 2.125 458 A HA -0.182 4.139 4.320 0.001 0.000 0.219 458 A C 1.237 178.864 177.584 0.073 0.000 1.156 458 A CA 0.912 52.900 52.037 -0.083 0.000 0.671 458 A CB -0.558 18.288 19.000 -0.256 0.000 0.794 458 A HN 0.685 nan 8.150 nan 0.000 0.459 459 Y N -0.739 119.666 120.300 0.175 0.000 2.511 459 Y HA 0.161 4.712 4.550 0.001 0.000 0.279 459 Y C 1.162 177.027 175.900 -0.059 0.000 1.157 459 Y CA 0.491 58.668 58.100 0.129 0.000 1.300 459 Y CB 0.232 38.676 38.460 -0.027 0.000 1.052 459 Y HN 0.151 nan 8.280 nan 0.000 0.529 460 R N 0.701 121.214 120.500 0.021 0.000 2.748 460 R HA 0.248 4.589 4.340 0.001 0.000 0.283 460 R C -1.136 175.136 176.300 -0.046 0.000 1.507 460 R CA -0.318 55.726 56.100 -0.095 0.000 1.666 460 R CB 0.437 30.599 30.300 -0.229 0.000 1.237 460 R HN -0.020 nan 8.270 nan 0.000 0.633 461 I N 2.478 123.069 120.570 0.034 0.000 2.496 461 I HA 0.188 4.359 4.170 0.001 0.000 0.285 461 I C -1.966 174.173 176.117 0.037 0.000 1.080 461 I CA -3.098 58.243 61.300 0.069 0.000 1.404 461 I CB 0.496 38.599 38.000 0.171 0.000 1.403 461 I HN -0.022 nan 8.210 nan 0.000 0.539 462 P HA 0.078 nan 4.420 nan 0.000 0.263 462 P C 0.891 178.253 177.300 0.102 0.000 1.175 462 P CA 0.951 64.076 63.100 0.043 0.000 0.761 462 P CB 0.528 32.243 31.700 0.025 0.000 0.794 463 G N 1.517 110.439 108.800 0.203 0.000 2.253 463 G HA2 -0.243 3.717 3.960 0.001 0.000 0.251 463 G HA3 -0.243 3.717 3.960 0.001 0.000 0.251 463 G C 0.421 175.542 174.900 0.367 0.000 0.998 463 G CA 0.440 45.770 45.100 0.383 0.000 0.621 463 G HN 0.814 nan 8.290 nan 0.000 0.524 464 T N -1.026 113.669 114.554 0.235 0.000 2.882 464 T HA 0.607 4.957 4.350 0.001 0.000 0.287 464 T C -0.044 174.742 174.700 0.144 0.000 1.014 464 T CA 0.587 62.824 62.100 0.228 0.000 1.049 464 T CB 2.068 71.029 68.868 0.155 0.000 1.001 464 T HN 0.382 nan 8.240 nan 0.000 0.525 465 T N 2.011 116.681 114.554 0.194 0.000 2.809 465 T HA 0.636 4.986 4.350 0.001 0.000 0.284 465 T C -0.186 174.637 174.700 0.204 0.000 0.992 465 T CA -0.572 61.639 62.100 0.186 0.000 0.957 465 T CB 0.916 69.923 68.868 0.232 0.000 0.942 465 T HN 1.032 nan 8.240 nan 0.000 0.439 466 V N 0.156 120.131 119.914 0.101 0.000 3.202 466 V HA 1.011 5.132 4.120 0.001 0.000 0.306 466 V C -0.798 175.339 176.094 0.072 0.000 1.283 466 V CA -1.644 60.711 62.300 0.092 0.000 1.065 466 V CB 1.511 33.055 31.823 -0.465 0.000 1.079 466 V HN 0.936 nan 8.190 nan 0.000 0.448 467 A N 1.233 124.055 122.820 0.004 0.000 2.309 467 A HA 0.653 4.974 4.320 0.001 0.000 0.290 467 A C 0.539 177.954 177.584 -0.282 0.000 1.206 467 A CA 0.386 52.252 52.037 -0.285 0.000 0.850 467 A CB 0.196 18.627 19.000 -0.948 0.000 1.118 467 A HN 1.656 nan 8.150 nan 0.000 0.523 468 S N 2.358 117.915 115.700 -0.239 0.000 2.702 468 S HA 0.284 4.754 4.470 0.001 0.000 0.314 468 S C 1.564 175.929 174.600 -0.393 0.000 1.244 468 S CA 1.249 59.276 58.200 -0.287 0.000 1.058 468 S CB -0.385 62.671 63.200 -0.240 0.000 0.783 468 S HN 2.422 nan 8.310 nan 0.000 0.503 469 G N 4.025 112.518 108.800 -0.512 0.000 2.269 469 G HA2 -0.234 3.726 3.960 0.001 0.000 0.277 469 G HA3 -0.234 3.726 3.960 0.001 0.000 0.277 469 G C 0.139 174.387 174.900 -1.086 0.000 1.008 469 G CA 0.671 45.150 45.100 -1.035 0.000 0.774 469 G HN 0.911 nan 8.290 nan 0.000 0.511 470 T N 2.082 116.309 114.554 -0.544 0.000 2.807 470 T HA 0.640 4.990 4.350 0.001 0.000 0.279 470 T C -2.097 172.573 174.700 -0.050 0.000 0.993 470 T CA -0.891 61.010 62.100 -0.331 0.000 0.970 470 T CB 3.215 71.837 68.868 -0.411 0.000 0.950 470 T HN 0.172 nan 8.240 nan 0.000 0.441 471 P HA 0.629 nan 4.420 nan 0.000 0.281 471 P C -0.820 176.255 177.300 -0.376 0.000 1.281 471 P CA -0.787 61.858 63.100 -0.758 0.000 0.811 471 P CB 1.056 31.863 31.700 -1.488 0.000 1.154 472 I N -3.731 116.522 120.570 -0.530 0.000 3.145 472 I HA 0.835 5.005 4.170 0.001 0.000 0.313 472 I C -0.546 175.569 176.117 -0.002 0.000 1.122 472 I CA -1.650 59.493 61.300 -0.262 0.000 0.987 472 I CB 1.826 39.557 38.000 -0.449 0.000 1.236 472 I HN 0.259 nan 8.210 nan 0.000 0.453 473 A N 1.574 124.433 122.820 0.065 0.000 2.271 473 A HA 0.570 4.890 4.320 0.001 0.000 0.288 473 A C 0.082 177.769 177.584 0.172 0.000 1.094 473 A CA -0.398 51.733 52.037 0.157 0.000 0.828 473 A CB 0.837 19.884 19.000 0.079 0.000 1.091 473 A HN 0.775 nan 8.150 nan 0.000 0.493 474 S N -0.232 115.453 115.700 -0.025 0.000 2.448 474 S HA 0.576 5.046 4.470 0.001 0.000 0.279 474 S C 0.182 174.719 174.600 -0.105 0.000 1.195 474 S CA 0.464 58.441 58.200 -0.370 0.000 1.051 474 S CB -0.510 62.309 63.200 -0.634 0.000 0.948 474 S HN 2.088 nan 8.310 nan 0.000 0.493 475 G N 2.831 111.598 108.800 -0.055 0.000 2.316 475 G HA2 0.358 4.318 3.960 0.001 0.000 0.296 475 G HA3 0.358 4.318 3.960 0.001 0.000 0.296 475 G C -0.576 174.362 174.900 0.063 0.000 1.399 475 G CA -0.246 44.853 45.100 -0.002 0.000 0.833 475 G HN 0.926 nan 8.290 nan 0.000 0.565 476 T N -0.952 113.644 114.554 0.069 0.000 2.899 476 T HA 0.631 4.981 4.350 0.001 0.000 0.295 476 T C 1.114 175.960 174.700 0.243 0.000 1.033 476 T CA 0.517 62.709 62.100 0.154 0.000 1.084 476 T CB 1.484 70.383 68.868 0.051 0.000 0.979 476 T HN 1.532 nan 8.240 nan 0.000 0.532 477 G N -0.061 108.908 108.800 0.282 0.000 2.532 477 G HA2 0.456 4.417 3.960 0.001 0.000 0.291 477 G HA3 0.456 4.417 3.960 0.001 0.000 0.291 477 G C 0.892 175.835 174.900 0.072 0.000 1.349 477 G CA -0.162 45.056 45.100 0.197 0.000 1.038 477 G HN 0.973 nan 8.290 nan 0.000 0.518 478 T N -2.983 111.596 114.554 0.042 0.000 3.040 478 T HA 0.264 4.614 4.350 0.001 0.000 0.250 478 T C 0.787 175.500 174.700 0.022 0.000 1.058 478 T CA 0.034 62.154 62.100 0.034 0.000 0.988 478 T CB 0.193 69.084 68.868 0.038 0.000 0.993 478 T HN 0.224 nan 8.240 nan 0.000 0.519 479 S N 2.143 117.840 115.700 -0.005 0.000 2.480 479 S HA 0.437 4.907 4.470 0.001 0.000 0.286 479 S C 1.167 175.804 174.600 0.061 0.000 1.180 479 S CA -0.490 57.729 58.200 0.030 0.000 1.075 479 S CB 1.569 64.771 63.200 0.002 0.000 0.996 479 S HN 0.567 nan 8.310 nan 0.000 0.487 480 S N 1.668 117.440 115.700 0.120 0.000 2.503 480 S HA 0.054 4.525 4.470 0.001 0.000 0.217 480 S C 0.243 174.961 174.600 0.197 0.000 0.999 480 S CA -0.521 57.747 58.200 0.114 0.000 0.914 480 S CB -0.254 62.994 63.200 0.080 0.000 0.782 480 S HN 0.810 nan 8.310 nan 0.000 0.520 481 W N 3.192 124.547 121.300 0.093 0.000 2.351 481 W HA 0.433 5.094 4.660 0.001 0.000 0.421 481 W C -0.964 175.664 176.519 0.181 0.000 1.000 481 W CA -0.164 57.272 57.345 0.152 0.000 1.610 481 W CB -0.123 29.506 29.460 0.281 0.000 1.700 481 W HN 0.040 nan 8.180 nan 0.000 0.351 482 T N 3.259 118.132 114.554 0.532 0.000 3.109 482 T HA 0.653 5.004 4.350 0.001 0.000 0.311 482 T C 0.033 174.892 174.700 0.265 0.000 1.011 482 T CA -0.074 62.300 62.100 0.456 0.000 1.026 482 T CB 1.352 70.356 68.868 0.226 0.000 1.047 482 T HN 0.581 nan 8.240 nan 0.000 0.448 483 G N 1.489 110.487 108.800 0.329 0.000 2.441 483 G HA2 0.597 4.558 3.960 0.001 0.000 0.222 483 G HA3 0.597 4.558 3.960 0.001 0.000 0.222 483 G C -0.545 174.484 174.900 0.215 0.000 1.254 483 G CA 0.274 45.466 45.100 0.153 0.000 0.959 483 G HN 1.194 nan 8.290 nan 0.000 0.474 484 G N -2.259 106.602 108.800 0.102 0.000 2.340 484 G HA2 0.651 4.611 3.960 0.001 0.000 0.299 484 G HA3 0.651 4.611 3.960 0.001 0.000 0.299 484 G C -1.829 173.139 174.900 0.114 0.000 1.291 484 G CA 0.629 45.822 45.100 0.156 0.000 0.841 484 G HN 1.883 nan 8.290 nan 0.000 0.500 485 V N -0.402 119.594 119.914 0.136 0.000 2.823 485 V HA 0.851 4.971 4.120 0.001 0.000 0.312 485 V C -0.424 175.739 176.094 0.115 0.000 1.072 485 V CA -0.119 62.255 62.300 0.122 0.000 0.937 485 V CB 1.963 33.860 31.823 0.122 0.000 1.013 485 V HN 1.418 nan 8.190 nan 0.000 0.430 486 S N 5.339 121.128 115.700 0.148 0.000 2.473 486 S HA 0.635 5.105 4.470 0.001 0.000 0.307 486 S C -1.058 173.619 174.600 0.128 0.000 1.094 486 S CA -0.569 57.729 58.200 0.163 0.000 1.070 486 S CB 1.311 64.657 63.200 0.245 0.000 1.019 486 S HN 0.851 nan 8.310 nan 0.000 0.480 487 L N 5.931 127.227 121.223 0.122 0.000 2.287 487 L HA 0.668 5.008 4.340 0.001 0.000 0.280 487 L C 0.766 177.707 176.870 0.117 0.000 1.055 487 L CA 0.835 55.791 54.840 0.193 0.000 0.863 487 L CB 0.067 42.294 42.059 0.279 0.000 1.245 487 L HN 1.114 nan 8.230 nan 0.000 0.432 488 A N 3.634 126.452 122.820 -0.003 0.000 2.826 488 A HA -0.078 4.242 4.320 0.001 0.000 0.274 488 A C 1.572 179.120 177.584 -0.058 0.000 1.443 488 A CA 1.216 53.181 52.037 -0.121 0.000 0.833 488 A CB -2.321 16.592 19.000 -0.146 0.000 1.023 488 A HN 2.285 nan 8.150 nan 0.000 0.600 489 G N -2.393 106.408 108.800 0.002 0.000 2.187 489 G HA2 -0.379 3.581 3.960 0.001 0.000 0.261 489 G HA3 -0.379 3.581 3.960 0.001 0.000 0.261 489 G C 0.535 175.425 174.900 -0.017 0.000 1.000 489 G CA 1.608 46.719 45.100 0.019 0.000 0.718 489 G HN 1.089 nan 8.290 nan 0.000 0.519 490 Q N -2.026 117.721 119.800 -0.087 0.000 2.481 490 Q HA 0.354 4.694 4.340 0.001 0.000 0.219 490 Q C 0.528 176.229 176.000 -0.497 0.000 0.920 490 Q CA 0.763 56.343 55.803 -0.371 0.000 0.915 490 Q CB 0.595 28.993 28.738 -0.567 0.000 1.057 490 Q HN 0.658 nan 8.270 nan 0.000 0.581 491 Y N -1.287 119.068 120.300 0.093 0.000 2.665 491 Y HA 0.768 5.318 4.550 0.001 0.000 0.336 491 Y C 0.310 175.979 175.900 -0.386 0.000 1.085 491 Y CA -1.004 57.093 58.100 -0.004 0.000 1.096 491 Y CB 1.982 40.517 38.460 0.125 0.000 1.301 491 Y HN 0.017 nan 8.280 nan 0.000 0.493 492 G N -0.563 107.884 108.800 -0.589 0.000 2.430 492 G HA2 0.665 4.625 3.960 0.001 0.000 0.300 492 G HA3 0.665 4.625 3.960 0.001 0.000 0.300 492 G C -2.231 172.288 174.900 -0.636 0.000 1.330 492 G CA -0.307 44.153 45.100 -1.067 0.000 0.813 492 G HN 0.946 nan 8.290 nan 0.000 0.487 493 A N -0.680 121.922 122.820 -0.363 0.000 2.549 493 A HA 0.928 5.249 4.320 0.001 0.000 0.297 493 A C -0.446 177.149 177.584 0.019 0.000 1.061 493 A CA -0.197 51.721 52.037 -0.198 0.000 0.690 493 A CB 1.696 20.579 19.000 -0.196 0.000 1.287 493 A HN 1.414 nan 8.150 nan 0.000 0.402 494 S N -0.873 114.880 115.700 0.090 0.000 2.667 494 S HA 0.962 5.432 4.470 0.001 0.000 0.292 494 S C -0.087 174.756 174.600 0.405 0.000 1.126 494 S CA -0.109 58.271 58.200 0.300 0.000 0.881 494 S CB 2.138 65.528 63.200 0.317 0.000 1.132 494 S HN 1.835 nan 8.310 nan 0.000 0.492 495 G N 0.571 109.718 108.800 0.579 0.000 2.720 495 G HA2 0.630 4.590 3.960 0.001 0.000 0.295 495 G HA3 0.630 4.590 3.960 0.001 0.000 0.295 495 G C -1.819 173.503 174.900 0.704 0.000 1.437 495 G CA -0.522 44.913 45.100 0.559 0.000 0.886 495 G HN 0.591 nan 8.290 nan 0.000 0.509 496 M N 1.863 121.844 119.600 0.635 0.000 2.224 496 M HA 0.349 4.830 4.480 0.001 0.000 0.281 496 M C -1.957 174.405 176.300 0.103 0.000 1.025 496 M CA -0.732 54.836 55.300 0.447 0.000 0.954 496 M CB 2.207 35.073 32.600 0.444 0.000 1.639 496 M HN 0.488 nan 8.290 nan 0.000 0.461 497 D N 4.934 125.380 120.400 0.075 0.000 2.352 497 D HA 0.262 4.902 4.640 0.001 0.000 0.245 497 D C -1.037 175.150 176.300 -0.188 0.000 1.224 497 D CA 0.051 53.904 54.000 -0.246 0.000 0.879 497 D CB 0.673 41.476 40.800 0.006 0.000 1.057 497 D HN 0.693 nan 8.370 nan 0.000 0.491 498 L N 3.301 124.361 121.223 -0.272 0.000 2.331 498 L HA 0.407 4.748 4.340 0.001 0.000 0.278 498 L C -0.480 176.209 176.870 -0.302 0.000 1.106 498 L CA -0.097 54.576 54.840 -0.279 0.000 0.824 498 L CB 0.846 42.725 42.059 -0.300 0.000 1.142 498 L HN 0.314 nan 8.230 nan 0.000 0.443 499 S N 3.411 118.926 115.700 -0.308 0.000 2.461 499 S HA 0.347 4.817 4.470 0.001 0.000 0.245 499 S C -1.226 173.325 174.600 -0.082 0.000 1.039 499 S CA -0.566 57.514 58.200 -0.199 0.000 1.077 499 S CB 0.135 63.278 63.200 -0.096 0.000 1.171 499 S HN 0.475 nan 8.310 nan 0.000 0.433 500 Y N 1.794 122.081 120.300 -0.021 0.000 2.301 500 Y HA 0.484 5.034 4.550 0.000 0.000 0.325 500 Y C 1.637 177.471 175.900 -0.111 0.000 1.203 500 Y CA -0.037 58.013 58.100 -0.084 0.000 1.255 500 Y CB 0.883 39.105 38.460 -0.397 0.000 1.232 500 Y HN 0.664 nan 8.280 nan 0.000 0.501 501 G N 0.564 109.439 108.800 0.126 0.000 2.539 501 G HA2 0.032 3.993 3.960 0.001 0.000 0.215 501 G HA3 0.032 3.993 3.960 0.001 0.000 0.215 501 G C 1.544 176.457 174.900 0.023 0.000 1.141 501 G CA 0.616 45.756 45.100 0.066 0.000 0.806 501 G HN 0.748 nan 8.290 nan 0.000 0.533 502 A N -0.201 122.594 122.820 -0.042 0.000 1.969 502 A HA 0.371 4.691 4.320 0.001 0.000 0.218 502 A C 0.764 178.417 177.584 0.115 0.000 1.169 502 A CA 1.261 53.299 52.037 0.003 0.000 0.635 502 A CB -0.372 18.621 19.000 -0.011 0.000 0.810 502 A HN 0.793 nan 8.150 nan 0.000 0.445 503 Y N -3.977 116.396 120.300 0.120 0.000 2.656 503 Y HA 0.590 5.140 4.550 0.001 0.000 0.334 503 Y C -0.838 175.145 175.900 0.140 0.000 1.179 503 Y CA -2.138 56.024 58.100 0.104 0.000 1.050 503 Y CB 0.064 38.570 38.460 0.077 0.000 1.308 503 Y HN -0.018 nan 8.280 nan 0.000 0.456 504 N N 1.319 120.209 118.700 0.316 0.000 2.442 504 N HA 0.466 5.207 4.740 0.001 0.000 0.265 504 N C -1.615 174.060 175.510 0.276 0.000 1.138 504 N CA -0.006 53.167 53.050 0.206 0.000 0.956 504 N CB 0.487 39.054 38.487 0.134 0.000 1.067 504 N HN 0.810 nan 8.380 nan 0.000 0.474 505 L N 2.805 124.126 121.223 0.164 0.000 2.847 505 L HA 0.377 4.717 4.340 0.001 0.000 0.261 505 L C -1.380 175.465 176.870 -0.041 0.000 0.926 505 L CA -0.184 54.738 54.840 0.138 0.000 1.010 505 L CB 1.011 43.291 42.059 0.368 0.000 1.538 505 L HN 0.618 nan 8.230 nan 0.000 0.465 506 S N 3.219 118.875 115.700 -0.074 0.000 2.599 506 S HA 1.102 5.573 4.470 0.001 0.000 0.287 506 S C -0.535 173.952 174.600 -0.189 0.000 1.105 506 S CA -0.104 58.003 58.200 -0.155 0.000 0.899 506 S CB 2.211 65.333 63.200 -0.130 0.000 1.100 506 S HN 2.046 nan 8.310 nan 0.000 0.482 507 A N 1.098 123.756 122.820 -0.270 0.000 2.549 507 A HA 0.704 5.024 4.320 0.001 0.000 0.291 507 A C -1.785 175.493 177.584 -0.509 0.000 1.034 507 A CA -1.063 50.777 52.037 -0.328 0.000 0.655 507 A CB 0.922 19.784 19.000 -0.230 0.000 1.299 507 A HN 0.666 nan 8.150 nan 0.000 0.427 508 R N 1.083 121.183 120.500 -0.666 0.000 2.338 508 R HA 0.578 4.918 4.340 0.001 0.000 0.317 508 R C -1.084 174.785 176.300 -0.718 0.000 0.968 508 R CA -0.281 55.142 56.100 -1.128 0.000 0.849 508 R CB 1.276 30.672 30.300 -1.507 0.000 1.128 508 R HN 0.668 nan 8.270 nan 0.000 0.448 509 K N 1.225 121.282 120.400 -0.572 0.000 2.376 509 K HA 0.495 4.815 4.320 0.001 0.000 0.257 509 K C -0.619 175.696 176.600 -0.476 0.000 0.939 509 K CA -0.418 55.586 56.287 -0.472 0.000 0.809 509 K CB 2.312 34.629 32.500 -0.305 0.000 1.121 509 K HN 0.427 nan 8.250 nan 0.000 0.425 510 S N 1.403 116.701 115.700 -0.670 0.000 2.599 510 S HA 0.570 5.040 4.470 0.001 0.000 0.287 510 S C -1.408 172.716 174.600 -0.794 0.000 1.105 510 S CA -0.909 56.999 58.200 -0.488 0.000 0.899 510 S CB 1.302 64.379 63.200 -0.206 0.000 1.100 510 S HN 0.442 nan 8.310 nan 0.000 0.482 511 W N 1.392 122.481 121.300 -0.351 0.000 3.097 511 W HA 0.478 5.138 4.660 0.001 0.000 0.335 511 W C -2.052 174.116 176.519 -0.585 0.000 1.114 511 W CA -0.692 56.504 57.345 -0.249 0.000 1.231 511 W CB 1.318 30.750 29.460 -0.046 0.000 1.388 511 W HN 0.512 nan 8.180 nan 0.000 0.485 512 F N 2.994 122.965 119.950 0.035 0.000 2.460 512 F HA 0.402 4.929 4.527 0.001 0.000 0.341 512 F C 0.060 175.541 175.800 -0.532 0.000 1.130 512 F CA -0.966 56.864 58.000 -0.283 0.000 0.962 512 F CB 1.389 40.189 39.000 -0.333 0.000 1.171 512 F HN -0.104 nan 8.300 nan 0.000 0.436 513 M N 4.918 124.304 119.600 -0.355 0.000 2.061 513 M HA 0.431 4.912 4.480 0.001 0.000 0.346 513 M C -0.773 175.418 176.300 -0.182 0.000 1.112 513 M CA 0.017 55.218 55.300 -0.165 0.000 1.021 513 M CB 0.344 33.049 32.600 0.174 0.000 1.530 513 M HN 0.475 nan 8.290 nan 0.000 0.437 514 F N -0.165 119.983 119.950 0.330 0.000 2.932 514 F HA 0.406 4.933 4.527 0.001 0.000 0.267 514 F C 1.367 177.428 175.800 0.435 0.000 1.396 514 F CA -0.932 57.276 58.000 0.347 0.000 0.988 514 F CB 0.398 39.510 39.000 0.187 0.000 1.938 514 F HN 0.408 nan 8.300 nan 0.000 0.471 515 D N -0.246 120.521 120.400 0.612 0.000 2.110 515 D HA -0.057 4.583 4.640 0.001 0.000 0.202 515 D C 0.606 177.190 176.300 0.474 0.000 0.975 515 D CA 1.631 55.916 54.000 0.476 0.000 0.839 515 D CB -0.254 40.772 40.800 0.377 0.000 0.996 515 D HN 0.502 nan 8.370 nan 0.000 0.464 516 D N -0.644 119.998 120.400 0.403 0.000 2.692 516 D HA 0.103 4.744 4.640 0.001 0.000 0.290 516 D C -0.575 175.801 176.300 0.127 0.000 1.455 516 D CA -0.184 54.014 54.000 0.330 0.000 0.796 516 D CB -0.398 40.554 40.800 0.253 0.000 1.131 516 D HN 0.074 nan 8.370 nan 0.000 0.467 517 E N 0.128 120.469 120.200 0.235 0.000 2.275 517 E HA 0.555 4.905 4.350 0.001 0.000 0.270 517 E C -1.101 175.633 176.600 0.224 0.000 0.882 517 E CA -0.820 55.691 56.400 0.185 0.000 0.758 517 E CB 2.420 32.312 29.700 0.320 0.000 1.195 517 E HN -0.017 nan 8.360 nan 0.000 0.419 518 I N 2.433 123.081 120.570 0.129 0.000 2.411 518 I HA 0.195 4.365 4.170 0.001 0.000 0.284 518 I C -0.851 175.348 176.117 0.136 0.000 1.012 518 I CA -0.678 60.705 61.300 0.138 0.000 1.119 518 I CB 1.716 39.812 38.000 0.161 0.000 1.261 518 I HN 0.260 nan 8.210 nan 0.000 0.448 519 V N 5.451 125.460 119.914 0.160 0.000 2.407 519 V HA 0.753 4.873 4.120 0.001 0.000 0.278 519 V C 0.454 176.597 176.094 0.081 0.000 1.037 519 V CA -0.582 61.806 62.300 0.147 0.000 0.900 519 V CB 1.226 33.200 31.823 0.251 0.000 0.983 519 V HN 0.791 nan 8.190 nan 0.000 0.459 520 A N 6.860 129.541 122.820 -0.231 0.000 2.288 520 A HA 0.862 5.182 4.320 0.001 0.000 0.320 520 A C -0.779 176.658 177.584 -0.245 0.000 1.217 520 A CA -0.477 51.306 52.037 -0.423 0.000 0.840 520 A CB 0.584 19.092 19.000 -0.820 0.000 1.179 520 A HN 0.797 nan 8.150 nan 0.000 0.504 521 L N 2.192 123.260 121.223 -0.258 0.000 2.362 521 L HA 0.800 5.141 4.340 0.001 0.000 0.271 521 L C 0.401 176.805 176.870 -0.777 0.000 1.002 521 L CA -0.686 53.943 54.840 -0.352 0.000 0.818 521 L CB 2.575 44.569 42.059 -0.108 0.000 1.298 521 L HN 0.816 nan 8.230 nan 0.000 0.420 522 G N 0.611 108.593 108.800 -1.363 0.000 2.662 522 G HA2 0.679 4.639 3.960 0.001 0.000 0.302 522 G HA3 0.679 4.639 3.960 0.001 0.000 0.302 522 G C -1.080 173.380 174.900 -0.734 0.000 1.389 522 G CA -0.279 44.025 45.100 -1.327 0.000 0.998 522 G HN 0.615 nan 8.290 nan 0.000 0.502 523 S N -0.248 115.150 115.700 -0.503 0.000 2.638 523 S HA 0.720 5.191 4.470 0.001 0.000 0.274 523 S C 0.750 175.149 174.600 -0.335 0.000 1.157 523 S CA 0.145 58.130 58.200 -0.357 0.000 0.826 523 S CB 1.431 64.457 63.200 -0.289 0.000 1.139 523 S HN 2.475 nan 8.310 nan 0.000 0.474 524 G N 0.486 109.136 108.800 -0.250 0.000 2.321 524 G HA2 -0.229 3.731 3.960 0.001 0.000 0.287 524 G HA3 -0.229 3.731 3.960 0.001 0.000 0.287 524 G C -0.069 174.703 174.900 -0.213 0.000 1.018 524 G CA 0.418 45.386 45.100 -0.220 0.000 0.855 524 G HN 0.938 nan 8.290 nan 0.000 0.507 525 I N 1.538 121.977 120.570 -0.217 0.000 2.406 525 I HA 0.273 4.444 4.170 0.001 0.000 0.293 525 I C 0.439 176.478 176.117 -0.131 0.000 1.101 525 I CA 0.389 61.568 61.300 -0.202 0.000 1.334 525 I CB 0.492 38.301 38.000 -0.319 0.000 1.421 525 I HN 0.114 nan 8.210 nan 0.000 0.513 526 S N 4.169 119.815 115.700 -0.091 0.000 2.549 526 S HA 0.699 5.169 4.470 0.001 0.000 0.280 526 S C -0.672 173.925 174.600 -0.006 0.000 1.109 526 S CA -0.722 57.450 58.200 -0.046 0.000 0.905 526 S CB 2.314 65.483 63.200 -0.052 0.000 1.081 526 S HN 0.612 nan 8.310 nan 0.000 0.477 527 S N 0.369 116.079 115.700 0.018 0.000 2.547 527 S HA 0.634 5.104 4.470 0.001 0.000 0.270 527 S C -0.219 174.407 174.600 0.042 0.000 1.150 527 S CA -0.200 58.032 58.200 0.053 0.000 0.850 527 S CB 1.354 64.605 63.200 0.085 0.000 1.118 527 S HN 0.905 nan 8.310 nan 0.000 0.461 528 T N 0.191 114.778 114.554 0.054 0.000 3.170 528 T HA 0.430 4.781 4.350 0.001 0.000 0.288 528 T C 1.381 176.109 174.700 0.046 0.000 0.992 528 T CA 0.450 62.574 62.100 0.040 0.000 0.909 528 T CB 0.308 69.197 68.868 0.035 0.000 1.133 528 T HN 0.747 nan 8.240 nan 0.000 0.530 529 A N 1.532 124.391 122.820 0.065 0.000 2.067 529 A HA 0.497 4.818 4.320 0.001 0.000 0.219 529 A C 2.190 179.775 177.584 0.002 0.000 1.158 529 A CA 0.845 52.915 52.037 0.055 0.000 0.661 529 A CB -1.317 17.732 19.000 0.082 0.000 0.801 529 A HN 1.569 nan 8.150 nan 0.000 0.452 530 G N -1.361 107.436 108.800 -0.005 0.000 2.176 530 G HA2 -0.226 3.734 3.960 0.001 0.000 0.252 530 G HA3 -0.226 3.734 3.960 0.001 0.000 0.252 530 G C -0.021 174.849 174.900 -0.050 0.000 1.024 530 G CA 0.523 45.610 45.100 -0.021 0.000 0.755 530 G HN 0.567 nan 8.290 nan 0.000 0.507 531 I N -0.049 120.480 120.570 -0.069 0.000 2.545 531 I HA 0.347 4.518 4.170 0.001 0.000 0.292 531 I C -2.359 173.707 176.117 -0.084 0.000 1.040 531 I CA -2.810 58.422 61.300 -0.114 0.000 1.068 531 I CB 2.502 40.373 38.000 -0.215 0.000 1.251 531 I HN -0.202 nan 8.210 nan 0.000 0.424 532 P HA 0.090 nan 4.420 nan 0.000 0.264 532 P C -0.919 176.366 177.300 -0.025 0.000 1.193 532 P CA 0.111 63.191 63.100 -0.033 0.000 0.763 532 P CB 0.270 31.950 31.700 -0.034 0.000 0.810 533 I N 3.563 124.163 120.570 0.050 0.000 2.392 533 I HA 0.342 4.512 4.170 0.001 0.000 0.295 533 I C 0.880 177.102 176.117 0.175 0.000 0.985 533 I CA -0.589 60.779 61.300 0.114 0.000 1.221 533 I CB 1.084 39.186 38.000 0.170 0.000 1.366 533 I HN 0.509 nan 8.210 nan 0.000 0.467 534 E N 3.359 123.647 120.200 0.147 0.000 2.367 534 E HA 0.647 4.997 4.350 0.001 0.000 0.273 534 E C -1.374 175.303 176.600 0.128 0.000 0.903 534 E CA -0.830 55.632 56.400 0.104 0.000 0.764 534 E CB 2.099 31.830 29.700 0.052 0.000 1.252 534 E HN 0.353 nan 8.360 nan 0.000 0.446 535 T N 1.293 115.883 114.554 0.060 0.000 2.792 535 T HA 0.303 4.653 4.350 0.001 0.000 0.280 535 T C -0.542 174.149 174.700 -0.015 0.000 0.990 535 T CA -0.616 61.501 62.100 0.028 0.000 0.960 535 T CB 1.288 70.103 68.868 -0.089 0.000 0.939 535 T HN 0.342 nan 8.240 nan 0.000 0.439 536 V N 5.011 124.925 119.914 -0.000 0.000 2.408 536 V HA 0.108 4.229 4.120 0.001 0.000 0.267 536 V C 1.397 177.460 176.094 -0.051 0.000 1.047 536 V CA -0.107 62.206 62.300 0.020 0.000 0.937 536 V CB 0.927 32.755 31.823 0.008 0.000 0.999 536 V HN 0.819 nan 8.190 nan 0.000 0.472 537 V N 2.959 122.779 119.914 -0.156 0.000 2.346 537 V HA 0.038 4.159 4.120 0.001 0.000 0.244 537 V C 0.672 176.686 176.094 -0.134 0.000 1.037 537 V CA 1.701 63.749 62.300 -0.419 0.000 1.029 537 V CB -0.153 31.388 31.823 -0.470 0.000 0.663 537 V HN 1.013 nan 8.190 nan 0.000 0.454 538 D N -1.922 118.440 120.400 -0.065 0.000 2.694 538 D HA 0.290 4.930 4.640 0.001 0.000 0.260 538 D C -1.799 174.515 176.300 0.022 0.000 1.250 538 D CA -0.503 53.515 54.000 0.030 0.000 0.763 538 D CB 1.636 42.502 40.800 0.111 0.000 1.311 538 D HN 0.036 nan 8.370 nan 0.000 0.420 539 N N 1.432 120.165 118.700 0.054 0.000 2.747 539 N HA 0.218 4.958 4.740 0.001 0.000 0.262 539 N C -1.614 173.981 175.510 0.142 0.000 1.261 539 N CA -0.392 52.693 53.050 0.058 0.000 0.809 539 N CB 0.919 39.400 38.487 -0.009 0.000 1.450 539 N HN 0.209 nan 8.380 nan 0.000 0.560 540 R N 1.515 122.089 120.500 0.122 0.000 2.514 540 R HA 0.323 4.663 4.340 0.001 0.000 0.301 540 R C -0.054 176.250 176.300 0.007 0.000 0.962 540 R CA -0.748 55.396 56.100 0.072 0.000 0.882 540 R CB 1.630 31.916 30.300 -0.024 0.000 1.143 540 R HN 0.426 nan 8.270 nan 0.000 0.452 541 K N 3.275 123.598 120.400 -0.128 0.000 2.379 541 K HA 0.224 4.544 4.320 0.001 0.000 0.284 541 K C -0.182 176.194 176.600 -0.373 0.000 1.044 541 K CA -0.151 55.797 56.287 -0.566 0.000 0.974 541 K CB 0.484 32.721 32.500 -0.438 0.000 0.962 541 K HN 0.423 nan 8.250 nan 0.000 0.474 542 L N 2.606 123.593 121.223 -0.394 0.000 2.569 542 L HA 0.307 4.647 4.340 0.001 0.000 0.247 542 L C 0.635 177.382 176.870 -0.205 0.000 1.135 542 L CA -1.307 53.382 54.840 -0.252 0.000 0.812 542 L CB 0.425 42.345 42.059 -0.231 0.000 1.431 542 L HN 0.824 nan 8.230 nan 0.000 0.499 543 N N -0.402 118.214 118.700 -0.139 0.000 2.294 543 N HA 0.041 4.781 4.740 0.001 0.000 0.248 543 N C 0.889 176.343 175.510 -0.093 0.000 1.300 543 N CA 0.100 53.092 53.050 -0.097 0.000 0.925 543 N CB 0.067 38.519 38.487 -0.059 0.000 1.188 543 N HN 0.637 nan 8.380 nan 0.000 0.512 544 G N -1.466 107.297 108.800 -0.061 0.000 2.450 544 G HA2 -0.194 3.766 3.960 0.001 0.000 0.220 544 G HA3 -0.194 3.766 3.960 0.001 0.000 0.220 544 G C 1.164 176.037 174.900 -0.046 0.000 1.130 544 G CA 1.014 46.085 45.100 -0.049 0.000 0.760 544 G HN 0.809 nan 8.290 nan 0.000 0.557 545 A N -0.366 122.430 122.820 -0.039 0.000 2.178 545 A HA 0.468 4.789 4.320 0.001 0.000 0.211 545 A C 2.082 179.640 177.584 -0.043 0.000 1.157 545 A CA 1.260 53.278 52.037 -0.031 0.000 0.780 545 A CB -0.399 18.591 19.000 -0.016 0.000 0.828 545 A HN 1.564 nan 8.150 nan 0.000 0.476 546 G N 0.943 109.702 108.800 -0.069 0.000 2.225 546 G HA2 -0.301 3.660 3.960 0.001 0.000 0.267 546 G HA3 -0.301 3.660 3.960 0.001 0.000 0.267 546 G C 0.105 174.958 174.900 -0.077 0.000 1.024 546 G CA 0.803 45.847 45.100 -0.093 0.000 0.784 546 G HN 0.871 nan 8.290 nan 0.000 0.507 547 D N -0.396 119.975 120.400 -0.049 0.000 2.463 547 D HA 0.052 4.692 4.640 0.001 0.000 0.224 547 D C 0.393 176.691 176.300 -0.002 0.000 1.174 547 D CA -0.669 53.321 54.000 -0.017 0.000 0.829 547 D CB -0.697 40.108 40.800 0.008 0.000 0.993 547 D HN 0.433 nan 8.370 nan 0.000 0.497 548 N N 0.974 119.648 118.700 -0.043 0.000 2.292 548 N HA 0.124 4.864 4.740 0.001 0.000 0.258 548 N C 0.209 175.756 175.510 0.060 0.000 1.261 548 N CA 0.257 53.297 53.050 -0.016 0.000 0.845 548 N CB 0.771 39.211 38.487 -0.078 0.000 1.064 548 N HN 0.305 nan 8.380 nan 0.000 0.471 549 A N 3.351 126.253 122.820 0.136 0.000 2.407 549 A HA 0.329 4.650 4.320 0.001 0.000 0.248 549 A C -0.353 177.461 177.584 0.383 0.000 1.082 549 A CA -0.154 52.032 52.037 0.247 0.000 0.785 549 A CB 0.265 19.388 19.000 0.205 0.000 1.020 549 A HN 0.801 nan 8.150 nan 0.000 0.489 550 W N 0.354 121.707 121.300 0.088 0.000 3.213 550 W HA 0.701 5.361 4.660 0.001 0.000 0.318 550 W C -1.603 174.980 176.519 0.106 0.000 1.248 550 W CA -0.855 56.556 57.345 0.110 0.000 1.187 550 W CB 0.119 29.607 29.460 0.046 0.000 1.403 550 W HN 0.642 nan 8.180 nan 0.000 0.556 551 T N 1.702 116.341 114.554 0.141 0.000 2.903 551 T HA 0.804 5.155 4.350 0.001 0.000 0.299 551 T C -1.069 173.455 174.700 -0.294 0.000 1.093 551 T CA -0.431 61.599 62.100 -0.118 0.000 1.002 551 T CB 1.968 70.883 68.868 0.078 0.000 1.127 551 T HN 0.793 nan 8.240 nan 0.000 0.488 552 A N 1.671 124.167 122.820 -0.541 0.000 2.381 552 A HA 0.719 5.039 4.320 0.001 0.000 0.299 552 A C 0.256 177.333 177.584 -0.846 0.000 1.049 552 A CA -0.819 50.819 52.037 -0.664 0.000 0.715 552 A CB 0.244 18.935 19.000 -0.516 0.000 1.222 552 A HN 1.000 nan 8.150 nan 0.000 0.428 553 N N 1.247 119.143 118.700 -1.340 0.000 2.708 553 N HA -0.272 4.468 4.740 0.001 0.000 0.249 553 N C 1.003 176.170 175.510 -0.571 0.000 1.097 553 N CA 1.262 53.734 53.050 -0.963 0.000 0.710 553 N CB -0.647 37.588 38.487 -0.420 0.000 1.032 553 N HN 2.127 nan 8.380 nan 0.000 0.551 554 G N -1.539 106.807 108.800 -0.757 0.000 2.179 554 G HA2 -0.231 3.729 3.960 0.001 0.000 0.260 554 G HA3 -0.231 3.729 3.960 0.001 0.000 0.260 554 G C 0.079 174.918 174.900 -0.102 0.000 0.977 554 G CA 0.501 45.567 45.100 -0.057 0.000 0.641 554 G HN 0.920 nan 8.290 nan 0.000 0.533 555 A N 0.068 122.747 122.820 -0.236 0.000 2.304 555 A HA 0.944 5.265 4.320 0.001 0.000 0.323 555 A C 0.606 178.066 177.584 -0.207 0.000 1.195 555 A CA 0.744 52.675 52.037 -0.177 0.000 0.826 555 A CB 1.104 19.991 19.000 -0.188 0.000 1.184 555 A HN 2.037 nan 8.150 nan 0.000 0.496 556 A N 2.493 125.235 122.820 -0.130 0.000 2.498 556 A HA 0.535 4.855 4.320 0.001 0.000 0.239 556 A C -0.015 177.439 177.584 -0.217 0.000 1.068 556 A CA 0.139 52.101 52.037 -0.125 0.000 0.766 556 A CB -0.182 18.796 19.000 -0.037 0.000 1.003 556 A HN 0.835 nan 8.150 nan 0.000 0.497 557 L N 1.918 122.932 121.223 -0.349 0.000 2.334 557 L HA 0.411 4.752 4.340 0.001 0.000 0.272 557 L C 0.944 177.757 176.870 -0.095 0.000 1.020 557 L CA -0.705 53.856 54.840 -0.465 0.000 0.812 557 L CB 1.845 43.114 42.059 -1.317 0.000 1.264 557 L HN 0.876 nan 8.230 nan 0.000 0.439 558 S N -1.108 114.607 115.700 0.025 0.000 2.558 558 S HA 0.033 4.503 4.470 0.001 0.000 0.288 558 S C 0.771 175.572 174.600 0.334 0.000 1.318 558 S CA -0.067 58.219 58.200 0.143 0.000 1.056 558 S CB 0.772 64.028 63.200 0.093 0.000 0.853 558 S HN 0.804 nan 8.310 nan 0.000 0.505 559 T N -0.874 113.813 114.554 0.221 0.000 3.092 559 T HA 0.370 4.721 4.350 0.001 0.000 0.258 559 T C 0.837 175.583 174.700 0.077 0.000 1.031 559 T CA -0.102 62.106 62.100 0.180 0.000 0.925 559 T CB -0.425 68.524 68.868 0.136 0.000 1.036 559 T HN 0.889 nan 8.240 nan 0.000 0.544 560 G N 1.419 110.265 108.800 0.077 0.000 2.483 560 G HA2 0.543 4.503 3.960 0.001 0.000 0.248 560 G HA3 0.543 4.503 3.960 0.001 0.000 0.248 560 G C -0.274 174.637 174.900 0.019 0.000 1.248 560 G CA -0.740 44.383 45.100 0.038 0.000 0.838 560 G HN 0.498 nan 8.290 nan 0.000 0.566 561 L N 0.900 122.124 121.223 0.001 0.000 2.436 561 L HA 0.445 4.785 4.340 0.001 0.000 0.265 561 L C 1.526 178.398 176.870 0.003 0.000 1.168 561 L CA 0.810 55.644 54.840 -0.009 0.000 0.815 561 L CB 1.221 43.270 42.059 -0.016 0.000 1.109 561 L HN 0.951 nan 8.230 nan 0.000 0.462 562 G N 2.111 110.913 108.800 0.004 0.000 2.136 562 G HA2 -0.206 3.754 3.960 0.001 0.000 0.242 562 G HA3 -0.206 3.754 3.960 0.001 0.000 0.242 562 G C -0.275 174.636 174.900 0.019 0.000 0.989 562 G CA -0.107 44.999 45.100 0.010 0.000 0.682 562 G HN 0.365 nan 8.290 nan 0.000 0.522 563 V N 0.612 120.542 119.914 0.026 0.000 2.384 563 V HA 0.804 4.924 4.120 0.001 0.000 0.287 563 V C 0.561 176.685 176.094 0.050 0.000 1.020 563 V CA -0.283 62.041 62.300 0.039 0.000 0.850 563 V CB 1.512 33.368 31.823 0.055 0.000 0.987 563 V HN 1.105 nan 8.190 nan 0.000 0.436 564 A N 5.513 128.358 122.820 0.042 0.000 2.305 564 A HA 0.872 5.192 4.320 0.001 0.000 0.322 564 A C -0.357 177.235 177.584 0.014 0.000 1.187 564 A CA -0.543 51.519 52.037 0.042 0.000 0.825 564 A CB 1.065 20.095 19.000 0.050 0.000 1.164 564 A HN 0.942 nan 8.150 nan 0.000 0.498 565 Q N 0.710 120.505 119.800 -0.009 0.000 2.320 565 Q HA 0.549 4.890 4.340 0.001 0.000 0.272 565 Q C -1.408 174.517 176.000 -0.126 0.000 1.023 565 Q CA -0.683 55.091 55.803 -0.049 0.000 0.855 565 Q CB 1.338 30.066 28.738 -0.017 0.000 1.367 565 Q HN 0.402 nan 8.270 nan 0.000 0.406 566 T N 3.317 117.778 114.554 -0.155 0.000 2.799 566 T HA 0.489 4.839 4.350 0.001 0.000 0.286 566 T C -0.253 174.319 174.700 -0.215 0.000 0.973 566 T CA -0.495 61.475 62.100 -0.218 0.000 1.035 566 T CB 0.371 69.121 68.868 -0.196 0.000 0.932 566 T HN 0.399 nan 8.240 nan 0.000 0.469 567 L N 4.094 125.159 121.223 -0.263 0.000 2.287 567 L HA 0.513 4.853 4.340 0.001 0.000 0.287 567 L C 0.805 177.516 176.870 -0.265 0.000 1.022 567 L CA -0.907 53.772 54.840 -0.269 0.000 0.814 567 L CB 1.281 43.151 42.059 -0.315 0.000 1.217 567 L HN 0.702 nan 8.230 nan 0.000 0.420 568 T N -1.488 112.936 114.554 -0.217 0.000 2.895 568 T HA 0.582 4.933 4.350 0.001 0.000 0.283 568 T C 0.851 175.447 174.700 -0.174 0.000 1.014 568 T CA -0.012 61.974 62.100 -0.189 0.000 1.037 568 T CB 1.804 70.585 68.868 -0.145 0.000 1.006 568 T HN 0.916 nan 8.240 nan 0.000 0.468 569 G N 1.330 110.036 108.800 -0.156 0.000 2.273 569 G HA2 -0.181 3.780 3.960 0.001 0.000 0.280 569 G HA3 -0.181 3.780 3.960 0.001 0.000 0.280 569 G C -0.016 174.803 174.900 -0.135 0.000 1.047 569 G CA -0.004 45.024 45.100 -0.119 0.000 0.869 569 G HN 1.154 nan 8.290 nan 0.000 0.502 570 V N -0.269 119.522 119.914 -0.204 0.000 2.488 570 V HA 0.228 4.348 4.120 0.001 0.000 0.277 570 V C 1.308 177.362 176.094 -0.067 0.000 1.046 570 V CA 0.650 62.821 62.300 -0.216 0.000 0.986 570 V CB 1.290 32.883 31.823 -0.384 0.000 0.989 570 V HN 0.490 nan 8.190 nan 0.000 0.475 571 N N 3.467 122.212 118.700 0.076 0.000 2.482 571 N HA 0.174 4.914 4.740 0.001 0.000 0.179 571 N C -0.044 175.852 175.510 0.642 0.000 1.039 571 N CA 0.222 53.462 53.050 0.316 0.000 0.884 571 N CB 0.496 39.221 38.487 0.395 0.000 1.113 571 N HN 0.815 nan 8.380 nan 0.000 0.440 572 W N -0.397 121.133 121.300 0.384 0.000 3.213 572 W HA 0.677 5.337 4.660 0.001 0.000 0.318 572 W C -2.168 174.571 176.519 0.368 0.000 1.248 572 W CA -0.734 56.893 57.345 0.471 0.000 1.187 572 W CB 0.424 30.147 29.460 0.437 0.000 1.403 572 W HN -0.443 nan 8.180 nan 0.000 0.556 573 V N 1.751 122.123 119.914 0.763 0.000 2.789 573 V HA 0.386 4.507 4.120 0.001 0.000 0.311 573 V C -1.289 175.283 176.094 0.795 0.000 1.073 573 V CA -0.568 62.061 62.300 0.548 0.000 0.921 573 V CB 2.154 34.237 31.823 0.434 0.000 1.009 573 V HN 0.693 nan 8.190 nan 0.000 0.426 574 H N 3.683 123.100 119.070 0.579 0.000 2.589 574 H HA 0.758 5.314 4.556 0.001 0.000 0.351 574 H C -1.576 174.030 175.328 0.464 0.000 1.074 574 H CA -0.615 55.742 56.048 0.516 0.000 1.203 574 H CB 1.747 31.813 29.762 0.506 0.000 1.558 574 H HN 0.554 nan 8.280 nan 0.000 0.522 575 L N 4.906 126.013 121.223 -0.194 0.000 2.343 575 L HA 0.731 5.072 4.340 0.001 0.000 0.278 575 L C -0.682 175.997 176.870 -0.318 0.000 0.996 575 L CA -0.433 54.375 54.840 -0.054 0.000 0.831 575 L CB 0.999 43.137 42.059 0.130 0.000 1.232 575 L HN 0.847 nan 8.230 nan 0.000 0.413 576 A N 3.717 126.474 122.820 -0.104 0.000 2.477 576 A HA 0.588 4.909 4.320 0.001 0.000 0.246 576 A C 0.698 178.273 177.584 -0.016 0.000 1.078 576 A CA 0.316 52.360 52.037 0.011 0.000 0.770 576 A CB -0.163 18.927 19.000 0.151 0.000 1.011 576 A HN 0.961 nan 8.150 nan 0.000 0.494 577 G N 0.480 109.278 108.800 -0.004 0.000 2.588 577 G HA2 0.302 4.262 3.960 0.001 0.000 0.281 577 G HA3 0.302 4.262 3.960 0.001 0.000 0.281 577 G C 0.459 175.350 174.900 -0.015 0.000 1.236 577 G CA -0.498 44.590 45.100 -0.021 0.000 0.969 577 G HN 0.702 nan 8.290 nan 0.000 0.504 578 N N -0.592 118.088 118.700 -0.034 0.000 2.461 578 N HA 0.020 4.760 4.740 0.001 0.000 0.188 578 N C 0.907 176.416 175.510 -0.000 0.000 1.134 578 N CA 0.748 53.779 53.050 -0.031 0.000 0.878 578 N CB 0.197 38.647 38.487 -0.061 0.000 0.972 578 N HN 0.625 nan 8.380 nan 0.000 0.456 579 T N -4.145 110.418 114.554 0.016 0.000 2.912 579 T HA 0.672 5.022 4.350 0.001 0.000 0.288 579 T C 1.239 175.967 174.700 0.047 0.000 1.030 579 T CA -0.597 61.525 62.100 0.037 0.000 1.020 579 T CB 2.273 71.171 68.868 0.050 0.000 1.056 579 T HN -0.061 nan 8.240 nan 0.000 0.480 580 A N 1.757 124.607 122.820 0.051 0.000 1.940 580 A HA 0.107 4.427 4.320 0.001 0.000 0.219 580 A C 0.399 178.023 177.584 0.066 0.000 1.176 580 A CA 1.343 53.414 52.037 0.056 0.000 0.631 580 A CB -0.884 18.146 19.000 0.052 0.000 0.814 580 A HN 0.945 nan 8.150 nan 0.000 0.446 581 D N -5.133 115.308 120.400 0.068 0.000 2.596 581 D HA 0.497 5.137 4.640 0.001 0.000 0.234 581 D C 0.451 176.802 176.300 0.085 0.000 1.181 581 D CA 0.189 54.235 54.000 0.076 0.000 0.856 581 D CB 1.429 42.273 40.800 0.072 0.000 1.498 581 D HN 0.459 nan 8.370 nan 0.000 0.446 582 G N 0.216 109.073 108.800 0.094 0.000 2.159 582 G HA2 -0.286 3.675 3.960 0.001 0.000 0.256 582 G HA3 -0.286 3.675 3.960 0.001 0.000 0.256 582 G C 0.667 175.627 174.900 0.101 0.000 0.977 582 G CA 0.681 45.848 45.100 0.112 0.000 0.652 582 G HN 0.826 nan 8.290 nan 0.000 0.531 583 S N -1.009 114.732 115.700 0.069 0.000 2.847 583 S HA 0.401 4.872 4.470 0.001 0.000 0.254 583 S C -0.088 174.512 174.600 -0.001 0.000 1.039 583 S CA 0.272 58.492 58.200 0.032 0.000 1.113 583 S CB 1.050 64.261 63.200 0.018 0.000 1.092 583 S HN 0.145 nan 8.310 nan 0.000 0.620 584 D N 2.017 122.431 120.400 0.023 0.000 2.362 584 D HA 0.506 5.146 4.640 0.001 0.000 0.242 584 D C -0.241 176.012 176.300 -0.079 0.000 1.132 584 D CA 0.222 54.215 54.000 -0.011 0.000 0.907 584 D CB 0.774 41.670 40.800 0.160 0.000 1.195 584 D HN 0.364 nan 8.370 nan 0.000 0.429 585 I N 0.441 120.906 120.570 -0.175 0.000 2.569 585 I HA 0.430 4.600 4.170 0.001 0.000 0.290 585 I C 0.435 176.368 176.117 -0.306 0.000 1.088 585 I CA -0.821 60.319 61.300 -0.265 0.000 1.047 585 I CB 2.312 40.134 38.000 -0.296 0.000 1.237 585 I HN 0.246 nan 8.210 nan 0.000 0.421 586 G N 4.455 113.059 108.800 -0.327 0.000 2.417 586 G HA2 0.714 4.675 3.960 0.001 0.000 0.334 586 G HA3 0.714 4.675 3.960 0.001 0.000 0.334 586 G C -1.776 172.873 174.900 -0.417 0.000 1.150 586 G CA -0.308 44.716 45.100 -0.126 0.000 0.923 586 G HN 0.430 nan 8.290 nan 0.000 0.485 587 Y N -0.118 120.281 120.300 0.166 0.000 2.354 587 Y HA 0.391 4.942 4.550 0.001 0.000 0.330 587 Y C -0.972 174.950 175.900 0.037 0.000 1.011 587 Y CA -1.017 57.103 58.100 0.032 0.000 1.099 587 Y CB 2.084 40.573 38.460 0.048 0.000 1.179 587 Y HN 0.606 nan 8.280 nan 0.000 0.442 588 Y N 3.711 123.939 120.300 -0.120 0.000 2.377 588 Y HA 0.678 5.228 4.550 0.000 0.000 0.339 588 Y C -1.781 173.975 175.900 -0.239 0.000 1.011 588 Y CA -2.415 55.696 58.100 0.018 0.000 1.093 588 Y CB 0.818 39.386 38.460 0.179 0.000 1.201 588 Y HN 0.486 nan 8.280 nan 0.000 0.455 589 F N 7.275 126.928 119.950 -0.495 0.000 2.359 589 F HA 0.453 4.980 4.527 0.001 0.000 0.369 589 F C -2.362 173.064 175.800 -0.623 0.000 1.084 589 F CA -2.587 55.198 58.000 -0.358 0.000 1.096 589 F CB 1.005 39.949 39.000 -0.094 0.000 1.335 589 F HN 0.403 nan 8.300 nan 0.000 0.457 590 P HA 0.138 nan 4.420 nan 0.000 0.264 590 P C 0.909 178.207 177.300 -0.003 0.000 1.193 590 P CA 0.983 63.989 63.100 -0.156 0.000 0.763 590 P CB 0.761 32.489 31.700 0.046 0.000 0.810 591 G N 2.360 111.184 108.800 0.039 0.000 2.184 591 G HA2 -0.015 3.946 3.960 0.001 0.000 0.264 591 G HA3 -0.015 3.946 3.960 0.001 0.000 0.264 591 G C 0.531 175.457 174.900 0.044 0.000 0.975 591 G CA 0.246 45.376 45.100 0.051 0.000 0.642 591 G HN 1.051 nan 8.290 nan 0.000 0.536 592 G N -1.355 107.472 108.800 0.045 0.000 2.733 592 G HA2 0.490 4.450 3.960 0.001 0.000 0.686 592 G HA3 0.490 4.450 3.960 0.001 0.000 0.686 592 G C -0.098 174.798 174.900 -0.006 0.000 1.373 592 G CA 0.776 45.892 45.100 0.027 0.000 0.838 592 G HN 2.515 nan 8.290 nan 0.000 0.588 593 A N 0.028 122.773 122.820 -0.125 0.000 2.609 593 A HA 0.958 5.278 4.320 0.001 0.000 0.291 593 A C -0.170 177.230 177.584 -0.306 0.000 1.096 593 A CA 0.348 52.261 52.037 -0.207 0.000 0.684 593 A CB 1.621 20.452 19.000 -0.283 0.000 1.282 593 A HN 1.726 nan 8.150 nan 0.000 0.412 594 T N 1.385 115.777 114.554 -0.269 0.000 2.758 594 T HA 0.538 4.888 4.350 0.001 0.000 0.285 594 T C -0.949 173.528 174.700 -0.372 0.000 0.981 594 T CA -0.024 61.906 62.100 -0.284 0.000 0.965 594 T CB 0.564 69.310 68.868 -0.204 0.000 0.927 594 T HN 0.540 nan 8.240 nan 0.000 0.448 595 L N 4.312 125.273 121.223 -0.436 0.000 2.333 595 L HA 0.467 4.807 4.340 0.001 0.000 0.280 595 L C -0.538 176.010 176.870 -0.537 0.000 1.004 595 L CA -0.465 54.074 54.840 -0.502 0.000 0.820 595 L CB 1.613 43.351 42.059 -0.535 0.000 1.247 595 L HN 0.447 nan 8.230 nan 0.000 0.416 596 Q N 3.162 122.483 119.800 -0.798 0.000 2.256 596 Q HA 0.589 4.930 4.340 0.001 0.000 0.254 596 Q C -0.195 175.059 176.000 -1.242 0.000 0.916 596 Q CA -0.224 54.922 55.803 -1.095 0.000 0.932 596 Q CB 1.576 29.307 28.738 -1.678 0.000 1.207 596 Q HN 0.760 nan 8.270 nan 0.000 0.426 597 T N -1.176 112.929 114.554 -0.749 0.000 2.864 597 T HA 0.819 5.169 4.350 0.001 0.000 0.299 597 T C -1.108 173.542 174.700 -0.082 0.000 1.166 597 T CA -0.941 60.947 62.100 -0.353 0.000 1.007 597 T CB 2.383 71.244 68.868 -0.012 0.000 1.219 597 T HN 0.652 nan 8.240 nan 0.000 0.506 598 K N 0.413 120.857 120.400 0.075 0.000 2.578 598 K HA 0.615 4.935 4.320 0.001 0.000 0.269 598 K C -1.540 175.069 176.600 0.014 0.000 0.941 598 K CA -1.099 55.245 56.287 0.094 0.000 0.847 598 K CB 2.108 34.720 32.500 0.187 0.000 1.397 598 K HN 0.788 nan 8.250 nan 0.000 0.422 599 R N 1.993 122.482 120.500 -0.018 0.000 2.439 599 R HA 0.282 4.622 4.340 0.001 0.000 0.310 599 R C -1.395 174.891 176.300 -0.023 0.000 0.955 599 R CA -0.205 55.847 56.100 -0.079 0.000 0.853 599 R CB 1.402 31.614 30.300 -0.147 0.000 1.171 599 R HN 0.949 nan 8.270 nan 0.000 0.449 600 E N 2.756 122.953 120.200 -0.004 0.000 2.430 600 E HA 0.559 4.909 4.350 0.001 0.000 0.279 600 E C -1.788 174.829 176.600 0.028 0.000 1.003 600 E CA -1.299 55.108 56.400 0.011 0.000 0.801 600 E CB 1.573 31.284 29.700 0.018 0.000 1.313 600 E HN 0.491 nan 8.360 nan 0.000 0.459 601 A N 2.004 124.833 122.820 0.015 0.000 2.260 601 A HA 0.562 4.882 4.320 0.001 0.000 0.308 601 A C -0.458 177.144 177.584 0.030 0.000 1.254 601 A CA -0.646 51.401 52.037 0.015 0.000 0.874 601 A CB 0.356 19.352 19.000 -0.006 0.000 1.153 601 A HN 0.509 nan 8.150 nan 0.000 0.527 602 R N 1.521 122.059 120.500 0.065 0.000 2.514 602 R HA 0.604 4.944 4.340 0.001 0.000 0.301 602 R C -0.881 175.423 176.300 0.006 0.000 0.962 602 R CA -0.404 55.711 56.100 0.026 0.000 0.882 602 R CB 2.125 32.425 30.300 0.000 0.000 1.143 602 R HN 0.661 nan 8.270 nan 0.000 0.452 603 T N 0.810 115.352 114.554 -0.019 0.000 2.855 603 T HA 0.733 5.084 4.350 0.001 0.000 0.281 603 T C -0.134 174.538 174.700 -0.047 0.000 1.007 603 T CA -0.646 61.440 62.100 -0.025 0.000 1.009 603 T CB 1.988 70.848 68.868 -0.012 0.000 0.983 603 T HN 0.806 nan 8.240 nan 0.000 0.455 604 G N 0.831 109.595 108.800 -0.061 0.000 2.554 604 G HA2 0.700 4.661 3.960 0.001 0.000 0.306 604 G HA3 0.700 4.661 3.960 0.001 0.000 0.306 604 G C -1.069 173.784 174.900 -0.078 0.000 1.320 604 G CA -0.474 44.576 45.100 -0.083 0.000 0.800 604 G HN 0.902 nan 8.290 nan 0.000 0.481 605 T N -3.336 111.168 114.554 -0.084 0.000 2.900 605 T HA 0.409 4.759 4.350 0.001 0.000 0.303 605 T C 0.009 174.683 174.700 -0.042 0.000 1.142 605 T CA -0.558 61.528 62.100 -0.023 0.000 1.007 605 T CB 1.797 70.694 68.868 0.048 0.000 1.156 605 T HN 0.532 nan 8.240 nan 0.000 0.490 606 W N 0.803 122.117 121.300 0.024 0.000 2.425 606 W HA 0.122 4.782 4.660 0.001 0.000 0.277 606 W C 2.467 178.988 176.519 0.003 0.000 1.231 606 W CA 0.602 57.959 57.345 0.020 0.000 1.248 606 W CB -0.076 29.401 29.460 0.029 0.000 1.117 606 W HN 0.719 nan 8.180 nan 0.000 0.568 607 K N 0.807 121.331 120.400 0.207 0.000 2.152 607 K HA -0.211 4.110 4.320 0.001 0.000 0.206 607 K C 1.765 178.404 176.600 0.065 0.000 1.048 607 K CA 1.586 57.945 56.287 0.120 0.000 0.933 607 K CB -0.317 32.237 32.500 0.090 0.000 0.721 607 K HN 0.198 nan 8.250 nan 0.000 0.447 608 Q N -0.350 119.470 119.800 0.032 0.000 2.224 608 Q HA -0.058 4.282 4.340 0.001 0.000 0.203 608 Q C 1.502 177.479 176.000 -0.039 0.000 0.970 608 Q CA 1.518 57.315 55.803 -0.010 0.000 0.865 608 Q CB -0.033 28.681 28.738 -0.040 0.000 0.922 608 Q HN 0.622 nan 8.270 nan 0.000 0.445 609 I N -4.247 116.305 120.570 -0.030 0.000 4.081 609 I HA 0.326 4.496 4.170 0.001 0.000 0.333 609 I C -0.186 175.927 176.117 -0.007 0.000 1.413 609 I CA -0.257 61.003 61.300 -0.066 0.000 1.110 609 I CB 0.553 38.486 38.000 -0.111 0.000 1.082 609 I HN -0.110 nan 8.210 nan 0.000 0.402 610 N N 1.738 120.467 118.700 0.048 0.000 2.839 610 N HA 0.179 4.919 4.740 0.001 0.000 0.230 610 N C -0.804 174.742 175.510 0.060 0.000 1.388 610 N CA -0.326 52.758 53.050 0.057 0.000 0.747 610 N CB 0.501 39.052 38.487 0.106 0.000 1.411 610 N HN 0.110 nan 8.380 nan 0.000 0.556 611 N N 1.920 120.643 118.700 0.039 0.000 3.103 611 N HA 0.157 4.897 4.740 0.001 0.000 0.305 611 N C -1.002 174.535 175.510 0.046 0.000 1.232 611 N CA 0.221 53.296 53.050 0.042 0.000 1.190 611 N CB 0.069 38.576 38.487 0.032 0.000 1.461 611 N HN 0.437 nan 8.380 nan 0.000 0.538 612 R N 1.016 121.545 120.500 0.049 0.000 2.807 612 R HA 0.352 4.692 4.340 0.001 0.000 0.276 612 R C -1.568 174.751 176.300 0.031 0.000 0.979 612 R CA -1.825 54.302 56.100 0.045 0.000 0.928 612 R CB 1.573 31.900 30.300 0.044 0.000 1.191 612 R HN 0.189 nan 8.270 nan 0.000 0.471 613 P HA -0.219 nan 4.420 nan 0.000 0.217 613 P C 0.800 178.089 177.300 -0.020 0.000 1.148 613 P CA 1.481 64.578 63.100 -0.004 0.000 0.828 613 P CB 0.242 31.931 31.700 -0.018 0.000 0.783 614 A N -0.511 122.292 122.820 -0.029 0.000 2.066 614 A HA 0.016 4.336 4.320 0.001 0.000 0.218 614 A C 1.179 178.758 177.584 -0.008 0.000 1.157 614 A CA 0.784 52.793 52.037 -0.048 0.000 0.670 614 A CB -1.462 17.487 19.000 -0.084 0.000 0.804 614 A HN 0.201 nan 8.150 nan 0.000 0.453 615 T N 3.451 118.023 114.554 0.029 0.000 2.853 615 T HA 0.341 4.691 4.350 0.001 0.000 0.298 615 T C -2.428 172.311 174.700 0.066 0.000 0.978 615 T CA -0.661 61.477 62.100 0.062 0.000 1.152 615 T CB 0.766 69.692 68.868 0.097 0.000 0.914 615 T HN 0.276 nan 8.240 nan 0.000 0.539 616 P HA 0.158 nan 4.420 nan 0.000 0.276 616 P C 0.275 177.653 177.300 0.131 0.000 1.230 616 P CA -0.420 62.732 63.100 0.087 0.000 0.776 616 P CB 0.879 32.627 31.700 0.080 0.000 0.888 617 S N 0.059 115.816 115.700 0.095 0.000 2.572 617 S HA 0.072 4.542 4.470 0.001 0.000 0.228 617 S C 0.535 175.187 174.600 0.086 0.000 0.963 617 S CA -0.289 57.965 58.200 0.089 0.000 0.939 617 S CB -0.870 62.366 63.200 0.060 0.000 0.804 617 S HN 0.389 nan 8.310 nan 0.000 0.480 618 T N 3.587 118.201 114.554 0.101 0.000 2.902 618 T HA 0.474 4.824 4.350 0.001 0.000 0.301 618 T C 0.502 175.258 174.700 0.093 0.000 1.012 618 T CA 0.163 62.316 62.100 0.090 0.000 1.151 618 T CB 0.698 69.625 68.868 0.097 0.000 0.946 618 T HN 0.555 nan 8.240 nan 0.000 0.542 619 A N 3.096 125.953 122.820 0.061 0.000 2.388 619 A HA 0.590 4.911 4.320 0.001 0.000 0.257 619 A C 0.277 177.890 177.584 0.048 0.000 1.095 619 A CA -0.653 51.410 52.037 0.043 0.000 0.791 619 A CB 0.097 19.113 19.000 0.027 0.000 1.029 619 A HN 0.946 nan 8.150 nan 0.000 0.489 620 V N -0.183 119.749 119.914 0.029 0.000 2.789 620 V HA 0.865 4.985 4.120 0.001 0.000 0.311 620 V C -0.351 175.745 176.094 0.003 0.000 1.073 620 V CA -0.479 61.840 62.300 0.032 0.000 0.921 620 V CB 1.610 33.466 31.823 0.055 0.000 1.009 620 V HN 0.776 nan 8.190 nan 0.000 0.426 621 T N 4.630 119.188 114.554 0.007 0.000 2.812 621 T HA 0.754 5.105 4.350 0.001 0.000 0.282 621 T C -0.576 174.114 174.700 -0.017 0.000 0.990 621 T CA -0.655 61.443 62.100 -0.003 0.000 0.960 621 T CB 1.419 70.286 68.868 -0.003 0.000 0.948 621 T HN 0.758 nan 8.240 nan 0.000 0.438 622 R N 2.502 122.991 120.500 -0.020 0.000 2.795 622 R HA 0.533 4.873 4.340 0.001 0.000 0.275 622 R C -0.737 175.469 176.300 -0.157 0.000 0.981 622 R CA -0.963 55.070 56.100 -0.112 0.000 0.917 622 R CB 1.445 31.651 30.300 -0.158 0.000 1.202 622 R HN 0.544 nan 8.270 nan 0.000 0.469 623 N N 1.283 119.792 118.700 -0.318 0.000 2.456 623 N HA 0.429 5.169 4.740 0.001 0.000 0.296 623 N C -0.908 174.266 175.510 -0.561 0.000 1.102 623 N CA -0.138 52.748 53.050 -0.274 0.000 0.924 623 N CB 1.303 39.676 38.487 -0.189 0.000 1.186 623 N HN 0.356 nan 8.380 nan 0.000 0.492 624 Y N -0.494 119.726 120.300 -0.134 0.000 2.524 624 Y HA 0.271 4.821 4.550 0.000 0.000 0.347 624 Y C -0.130 175.663 175.900 -0.178 0.000 1.005 624 Y CA -0.975 57.034 58.100 -0.151 0.000 1.025 624 Y CB 1.933 40.302 38.460 -0.151 0.000 1.275 624 Y HN 0.379 nan 8.280 nan 0.000 0.460 625 E N 1.197 121.367 120.200 -0.050 0.000 2.155 625 E HA 0.523 4.874 4.350 0.001 0.000 0.264 625 E C -1.514 175.040 176.600 -0.076 0.000 0.886 625 E CA -0.486 55.791 56.400 -0.204 0.000 0.752 625 E CB 1.211 30.668 29.700 -0.404 0.000 1.133 625 E HN 0.557 nan 8.360 nan 0.000 0.414 626 T N 5.478 120.023 114.554 -0.015 0.000 2.824 626 T HA 0.583 4.934 4.350 0.001 0.000 0.282 626 T C -0.254 174.564 174.700 0.197 0.000 0.993 626 T CA -0.668 61.493 62.100 0.102 0.000 0.967 626 T CB 0.635 69.580 68.868 0.130 0.000 0.960 626 T HN 0.453 nan 8.240 nan 0.000 0.441 627 M N 3.144 122.841 119.600 0.161 0.000 2.327 627 M HA 0.689 5.170 4.480 0.001 0.000 0.298 627 M C -1.443 174.955 176.300 0.163 0.000 1.065 627 M CA -0.780 54.541 55.300 0.035 0.000 0.916 627 M CB 2.283 34.792 32.600 -0.152 0.000 1.630 627 M HN 0.891 nan 8.290 nan 0.000 0.442 628 W N 1.898 123.090 121.300 -0.179 0.000 3.025 628 W HA 0.857 5.518 4.660 0.001 0.000 0.343 628 W C -2.364 174.019 176.519 -0.226 0.000 1.246 628 W CA -0.945 56.280 57.345 -0.200 0.000 1.178 628 W CB 0.663 30.022 29.460 -0.168 0.000 1.463 628 W HN 0.461 nan 8.180 nan 0.000 0.578 629 I N 2.391 122.891 120.570 -0.117 0.000 2.354 629 I HA 0.139 4.309 4.170 0.001 0.000 0.292 629 I C -0.534 175.401 176.117 -0.304 0.000 0.989 629 I CA -0.604 60.518 61.300 -0.297 0.000 1.188 629 I CB 1.356 39.176 38.000 -0.300 0.000 1.342 629 I HN 0.399 nan 8.210 nan 0.000 0.457 630 D N 5.143 125.395 120.400 -0.247 0.000 2.365 630 D HA 0.129 4.769 4.640 0.001 0.000 0.237 630 D C 0.639 176.849 176.300 -0.151 0.000 1.190 630 D CA 0.137 54.069 54.000 -0.113 0.000 0.867 630 D CB 0.508 41.275 40.800 -0.054 0.000 1.050 630 D HN 0.461 nan 8.370 nan 0.000 0.491 631 H N 2.473 121.582 119.070 0.065 0.000 2.539 631 H HA 0.336 4.892 4.556 0.001 0.000 0.267 631 H C 1.383 176.730 175.328 0.030 0.000 0.982 631 H CA 0.290 56.369 56.048 0.052 0.000 1.146 631 H CB 0.447 30.252 29.762 0.071 0.000 1.382 631 H HN 0.654 nan 8.280 nan 0.000 0.577 632 G N 0.208 109.071 108.800 0.105 0.000 2.796 632 G HA2 -0.244 3.717 3.960 0.001 0.000 0.571 632 G HA3 -0.244 3.717 3.960 0.001 0.000 0.571 632 G C -0.340 174.593 174.900 0.055 0.000 1.370 632 G CA -0.443 44.693 45.100 0.061 0.000 0.856 632 G HN 0.206 nan 8.290 nan 0.000 0.538 633 T N 0.864 115.434 114.554 0.026 0.000 2.845 633 T HA 0.521 4.872 4.350 0.001 0.000 0.288 633 T C 0.874 175.585 174.700 0.018 0.000 0.980 633 T CA 0.627 62.734 62.100 0.013 0.000 1.071 633 T CB 0.414 69.279 68.868 -0.005 0.000 0.941 633 T HN 1.050 nan 8.240 nan 0.000 0.487 634 N N 1.785 120.496 118.700 0.020 0.000 2.714 634 N HA -0.123 4.617 4.740 0.001 0.000 0.253 634 N C -2.549 172.973 175.510 0.020 0.000 1.024 634 N CA -0.352 52.710 53.050 0.020 0.000 0.726 634 N CB -0.534 37.961 38.487 0.012 0.000 0.908 634 N HN 0.455 nan 8.380 nan 0.000 0.542 635 P HA 0.112 nan 4.420 nan 0.000 0.274 635 P C -0.566 176.732 177.300 -0.003 0.000 1.246 635 P CA -0.009 63.104 63.100 0.021 0.000 0.795 635 P CB 1.572 33.293 31.700 0.036 0.000 1.006 636 S N -0.028 115.664 115.700 -0.013 0.000 2.789 636 S HA 0.518 4.989 4.470 0.001 0.000 0.286 636 S C 0.542 175.118 174.600 -0.040 0.000 1.153 636 S CA 0.230 58.415 58.200 -0.026 0.000 1.084 636 S CB -0.624 62.566 63.200 -0.016 0.000 1.036 636 S HN 0.908 nan 8.310 nan 0.000 0.484 637 G N 3.021 111.782 108.800 -0.066 0.000 2.221 637 G HA2 -0.117 3.843 3.960 0.001 0.000 0.265 637 G HA3 -0.117 3.843 3.960 0.001 0.000 0.265 637 G C 0.452 175.299 174.900 -0.088 0.000 1.041 637 G CA 0.202 45.252 45.100 -0.083 0.000 0.807 637 G HN 1.348 nan 8.290 nan 0.000 0.502 638 A N -0.589 122.170 122.820 -0.103 0.000 2.327 638 A HA 0.898 5.218 4.320 0.001 0.000 0.255 638 A C 0.912 178.402 177.584 -0.155 0.000 1.099 638 A CA 1.017 52.996 52.037 -0.097 0.000 0.801 638 A CB 0.685 19.616 19.000 -0.114 0.000 1.062 638 A HN 2.214 nan 8.150 nan 0.000 0.496 639 S N -1.413 114.242 115.700 -0.076 0.000 2.643 639 S HA 0.793 5.263 4.470 0.001 0.000 0.270 639 S C -0.967 173.707 174.600 0.124 0.000 1.166 639 S CA -0.217 57.919 58.200 -0.108 0.000 0.815 639 S CB 1.172 64.298 63.200 -0.123 0.000 1.139 639 S HN 1.960 nan 8.310 nan 0.000 0.472 640 Y N -2.062 118.298 120.300 0.100 0.000 2.656 640 Y HA 0.892 5.442 4.550 0.000 0.000 0.334 640 Y C -0.613 175.376 175.900 0.149 0.000 1.179 640 Y CA -0.705 57.516 58.100 0.202 0.000 1.050 640 Y CB 0.973 39.640 38.460 0.345 0.000 1.308 640 Y HN 1.323 nan 8.280 nan 0.000 0.456 641 G N 1.398 110.493 108.800 0.491 0.000 2.659 641 G HA2 0.530 4.490 3.960 0.001 0.000 0.291 641 G HA3 0.530 4.490 3.960 0.001 0.000 0.291 641 G C -2.333 172.794 174.900 0.378 0.000 1.379 641 G CA -0.696 44.584 45.100 0.299 0.000 1.254 641 G HN 1.217 nan 8.290 nan 0.000 0.590 642 Y N -0.322 120.089 120.300 0.184 0.000 2.597 642 Y HA 0.811 5.361 4.550 0.001 0.000 0.340 642 Y C -1.255 174.658 175.900 0.021 0.000 1.097 642 Y CA -1.794 56.276 58.100 -0.050 0.000 1.037 642 Y CB 1.689 40.055 38.460 -0.156 0.000 1.305 642 Y HN 0.411 nan 8.280 nan 0.000 0.463 643 V N 3.539 123.519 119.914 0.109 0.000 2.444 643 V HA 0.380 4.501 4.120 0.001 0.000 0.294 643 V C -0.327 175.820 176.094 0.088 0.000 1.022 643 V CA -0.872 61.501 62.300 0.122 0.000 0.850 643 V CB 1.479 33.430 31.823 0.213 0.000 0.992 643 V HN 0.746 nan 8.190 nan 0.000 0.426 644 L N 5.903 127.169 121.223 0.073 0.000 2.290 644 L HA 0.479 4.819 4.340 0.001 0.000 0.284 644 L C -0.508 176.239 176.870 -0.203 0.000 1.078 644 L CA -0.209 54.590 54.840 -0.068 0.000 0.815 644 L CB 0.856 42.924 42.059 0.015 0.000 1.162 644 L HN 0.500 nan 8.230 nan 0.000 0.435 645 L N 5.941 126.964 121.223 -0.334 0.000 2.408 645 L HA 0.379 4.719 4.340 0.001 0.000 0.257 645 L C -2.322 174.346 176.870 -0.336 0.000 1.053 645 L CA -1.782 52.855 54.840 -0.340 0.000 0.922 645 L CB 1.127 42.956 42.059 -0.383 0.000 1.261 645 L HN 0.333 nan 8.230 nan 0.000 0.458 646 P HA 0.091 nan 4.420 nan 0.000 0.268 646 P C -0.183 177.008 177.300 -0.180 0.000 1.205 646 P CA 0.013 62.873 63.100 -0.401 0.000 0.771 646 P CB 0.371 31.543 31.700 -0.880 0.000 0.858 647 N N -0.272 118.383 118.700 -0.074 0.000 2.740 647 N HA -0.196 4.544 4.740 0.001 0.000 0.248 647 N C -0.501 175.033 175.510 0.039 0.000 1.062 647 N CA 1.186 54.252 53.050 0.026 0.000 0.704 647 N CB -1.245 37.295 38.487 0.089 0.000 0.968 647 N HN 0.569 nan 8.380 nan 0.000 0.547 648 K N 0.376 120.798 120.400 0.037 0.000 2.259 648 K HA 0.380 4.701 4.320 0.001 0.000 0.252 648 K C 0.722 177.390 176.600 0.114 0.000 0.936 648 K CA -0.557 55.752 56.287 0.035 0.000 0.810 648 K CB 1.501 33.980 32.500 -0.034 0.000 1.143 648 K HN 0.205 nan 8.250 nan 0.000 0.427 649 T N -1.538 113.017 114.554 0.002 0.000 2.788 649 T HA 0.010 4.360 4.350 0.001 0.000 0.287 649 T C 1.384 175.801 174.700 -0.470 0.000 1.007 649 T CA -0.427 61.591 62.100 -0.136 0.000 1.005 649 T CB 1.433 70.245 68.868 -0.093 0.000 1.012 649 T HN 0.457 nan 8.240 nan 0.000 0.530 650 S N 0.470 115.630 115.700 -0.899 0.000 2.370 650 S HA -0.143 4.327 4.470 0.001 0.000 0.226 650 S C 2.369 176.804 174.600 -0.275 0.000 1.033 650 S CA 1.491 59.339 58.200 -0.587 0.000 1.011 650 S CB -1.275 61.790 63.200 -0.226 0.000 0.852 650 S HN 0.913 nan 8.310 nan 0.000 0.457 651 A N 0.715 123.423 122.820 -0.186 0.000 1.908 651 A HA -0.179 4.141 4.320 0.001 0.000 0.218 651 A C 2.132 179.595 177.584 -0.200 0.000 1.181 651 A CA 1.848 53.804 52.037 -0.134 0.000 0.627 651 A CB -0.857 18.101 19.000 -0.071 0.000 0.818 651 A HN 0.721 nan 8.150 nan 0.000 0.445 652 Q N -0.674 119.016 119.800 -0.183 0.000 2.167 652 Q HA -0.075 4.266 4.340 0.001 0.000 0.202 652 Q C 2.051 177.917 176.000 -0.223 0.000 0.970 652 Q CA 1.396 57.108 55.803 -0.152 0.000 0.855 652 Q CB -0.218 28.469 28.738 -0.085 0.000 0.911 652 Q HN 0.531 nan 8.270 nan 0.000 0.438 653 V N -0.096 119.604 119.914 -0.356 0.000 2.453 653 V HA -0.132 3.988 4.120 0.001 0.000 0.247 653 V C 2.166 177.702 176.094 -0.930 0.000 1.048 653 V CA 1.845 63.853 62.300 -0.486 0.000 1.049 653 V CB -0.924 30.681 31.823 -0.365 0.000 0.672 653 V HN 0.487 nan 8.190 nan 0.000 0.457 654 G N -0.245 107.796 108.800 -1.266 0.000 2.422 654 G HA2 -0.167 3.794 3.960 0.001 0.000 0.218 654 G HA3 -0.167 3.794 3.960 0.001 0.000 0.218 654 G C 1.733 176.367 174.900 -0.443 0.000 1.146 654 G CA 0.995 45.431 45.100 -1.107 0.000 0.769 654 G HN 0.585 nan 8.290 nan 0.000 0.547 655 A N -0.091 122.549 122.820 -0.300 0.000 1.930 655 A HA 0.016 4.336 4.320 0.001 0.000 0.217 655 A C 2.158 179.641 177.584 -0.168 0.000 1.175 655 A CA 1.540 53.477 52.037 -0.167 0.000 0.627 655 A CB -0.621 18.310 19.000 -0.114 0.000 0.815 655 A HN 0.456 nan 8.150 nan 0.000 0.443 656 Y N 0.674 120.788 120.300 -0.310 0.000 2.181 656 Y HA -0.116 4.434 4.550 0.001 0.000 0.288 656 Y C 2.590 178.246 175.900 -0.408 0.000 1.146 656 Y CA 1.421 59.333 58.100 -0.314 0.000 1.164 656 Y CB -0.379 37.896 38.460 -0.309 0.000 0.982 656 Y HN 0.303 nan 8.280 nan 0.000 0.515 657 A N 0.227 122.881 122.820 -0.277 0.000 2.019 657 A HA -0.090 4.230 4.320 0.001 0.000 0.219 657 A C 2.269 179.753 177.584 -0.167 0.000 1.164 657 A CA 1.535 53.413 52.037 -0.265 0.000 0.644 657 A CB -1.287 17.752 19.000 0.065 0.000 0.805 657 A HN 0.593 nan 8.150 nan 0.000 0.449 658 A N -1.686 121.037 122.820 -0.161 0.000 2.119 658 A HA 0.130 4.451 4.320 0.001 0.000 0.216 658 A C 0.875 178.370 177.584 -0.148 0.000 1.152 658 A CA 1.383 53.362 52.037 -0.097 0.000 0.708 658 A CB 0.056 19.013 19.000 -0.072 0.000 0.805 658 A HN 0.327 nan 8.150 nan 0.000 0.460 659 D N -0.761 119.475 120.400 -0.274 0.000 3.250 659 D HA 0.164 4.804 4.640 0.001 0.000 0.252 659 D C -3.090 172.897 176.300 -0.522 0.000 1.342 659 D CA -1.208 52.617 54.000 -0.291 0.000 0.807 659 D CB 0.704 41.379 40.800 -0.209 0.000 1.449 659 D HN 0.079 nan 8.370 nan 0.000 0.610 660 P HA 0.122 nan 4.420 nan 0.000 0.264 660 P C 0.660 177.591 177.300 -0.615 0.000 1.193 660 P CA -0.132 62.332 63.100 -1.061 0.000 0.763 660 P CB 1.314 32.567 31.700 -0.745 0.000 0.810 661 A N 3.918 126.367 122.820 -0.618 0.000 2.206 661 A HA 0.059 4.380 4.320 0.001 0.000 0.211 661 A C 1.148 178.656 177.584 -0.127 0.000 1.158 661 A CA 0.549 52.450 52.037 -0.228 0.000 0.761 661 A CB -0.886 18.074 19.000 -0.067 0.000 0.801 661 A HN 0.676 nan 8.150 nan 0.000 0.473 662 I N -3.882 116.664 120.570 -0.041 0.000 2.693 662 I HA 0.706 4.876 4.170 0.001 0.000 0.303 662 I C -0.523 175.600 176.117 0.010 0.000 1.025 662 I CA -1.083 60.218 61.300 0.002 0.000 1.086 662 I CB 1.828 39.930 38.000 0.171 0.000 1.268 662 I HN 0.075 nan 8.210 nan 0.000 0.440 663 E N 5.022 125.208 120.200 -0.023 0.000 2.246 663 E HA 0.499 4.849 4.350 0.001 0.000 0.266 663 E C -1.452 175.126 176.600 -0.036 0.000 0.880 663 E CA -0.769 55.621 56.400 -0.016 0.000 0.762 663 E CB 1.802 31.475 29.700 -0.045 0.000 1.180 663 E HN 0.760 nan 8.360 nan 0.000 0.416 664 I N 5.412 125.972 120.570 -0.016 0.000 2.363 664 I HA 0.016 4.187 4.170 0.001 0.000 0.292 664 I C 1.156 177.234 176.117 -0.066 0.000 1.075 664 I CA -0.220 61.045 61.300 -0.057 0.000 1.333 664 I CB 1.110 39.094 38.000 -0.027 0.000 1.415 664 I HN 0.545 nan 8.210 nan 0.000 0.502 665 V N 7.942 127.795 119.914 -0.101 0.000 2.407 665 V HA 0.013 4.133 4.120 0.001 0.000 0.245 665 V C 0.667 176.720 176.094 -0.068 0.000 1.041 665 V CA 1.531 63.783 62.300 -0.080 0.000 1.040 665 V CB -0.167 31.601 31.823 -0.092 0.000 0.671 665 V HN 0.656 nan 8.190 nan 0.000 0.455 666 V N -0.508 119.354 119.914 -0.087 0.000 3.098 666 V HA 0.771 4.891 4.120 0.001 0.000 0.294 666 V C -1.018 175.034 176.094 -0.070 0.000 1.351 666 V CA -0.637 61.622 62.300 -0.067 0.000 0.999 666 V CB 2.220 34.004 31.823 -0.065 0.000 1.104 666 V HN 0.087 nan 8.190 nan 0.000 0.438 667 N N 1.959 120.623 118.700 -0.060 0.000 2.666 667 N HA 0.460 5.201 4.740 0.001 0.000 0.253 667 N C -0.400 175.061 175.510 -0.082 0.000 1.621 667 N CA 0.557 53.563 53.050 -0.074 0.000 0.785 667 N CB 1.220 39.651 38.487 -0.092 0.000 1.332 667 N HN 1.192 nan 8.380 nan 0.000 0.514 668 T N -2.872 111.647 114.554 -0.058 0.000 2.938 668 T HA 0.389 4.740 4.350 0.001 0.000 0.285 668 T C 1.434 176.087 174.700 -0.078 0.000 1.028 668 T CA -0.047 62.017 62.100 -0.061 0.000 1.005 668 T CB 0.967 69.819 68.868 -0.026 0.000 1.157 668 T HN 0.082 nan 8.240 nan 0.000 0.550 669 S N -0.669 114.974 115.700 -0.095 0.000 2.447 669 S HA 0.084 4.554 4.470 0.001 0.000 0.233 669 S C 2.060 176.643 174.600 -0.029 0.000 1.006 669 S CA 0.727 58.837 58.200 -0.151 0.000 0.957 669 S CB -1.034 62.086 63.200 -0.135 0.000 0.773 669 S HN 1.037 nan 8.310 nan 0.000 0.507 670 G N 0.118 108.954 108.800 0.061 0.000 2.492 670 G HA2 0.359 4.319 3.960 0.001 0.000 0.214 670 G HA3 0.359 4.319 3.960 0.001 0.000 0.214 670 G C 0.198 175.238 174.900 0.233 0.000 1.147 670 G CA 0.730 45.925 45.100 0.160 0.000 0.809 670 G HN 0.652 nan 8.290 nan 0.000 0.533 671 V N -0.363 119.638 119.914 0.146 0.000 2.924 671 V HA 0.546 4.666 4.120 0.001 0.000 0.300 671 V C -2.127 173.967 176.094 0.000 0.000 1.227 671 V CA -0.898 61.397 62.300 -0.009 0.000 0.954 671 V CB 2.198 33.891 31.823 -0.218 0.000 1.055 671 V HN 0.288 nan 8.190 nan 0.000 0.429 672 Q N 3.286 123.091 119.800 0.007 0.000 2.325 672 Q HA 0.737 5.078 4.340 0.001 0.000 0.270 672 Q C -1.109 174.919 176.000 0.046 0.000 1.020 672 Q CA -0.344 55.505 55.803 0.077 0.000 0.785 672 Q CB 2.173 31.057 28.738 0.243 0.000 1.259 672 Q HN 0.766 nan 8.270 nan 0.000 0.452 673 S N 1.865 117.491 115.700 -0.124 0.000 2.540 673 S HA 0.746 5.217 4.470 0.001 0.000 0.275 673 S C -1.445 172.872 174.600 -0.472 0.000 1.123 673 S CA -0.490 57.540 58.200 -0.283 0.000 0.907 673 S CB 1.540 64.632 63.200 -0.181 0.000 1.081 673 S HN 0.327 nan 8.310 nan 0.000 0.476 674 V N 4.138 123.626 119.914 -0.710 0.000 2.841 674 V HA 0.611 4.731 4.120 0.001 0.000 0.310 674 V C -0.473 175.500 176.094 -0.201 0.000 1.090 674 V CA -0.860 61.150 62.300 -0.483 0.000 0.930 674 V CB 2.075 33.498 31.823 -0.668 0.000 1.014 674 V HN 0.878 nan 8.190 nan 0.000 0.425 675 K N 2.515 122.829 120.400 -0.143 0.000 2.259 675 K HA 0.524 4.845 4.320 0.001 0.000 0.252 675 K C -0.960 175.476 176.600 -0.273 0.000 0.936 675 K CA -0.578 55.613 56.287 -0.160 0.000 0.810 675 K CB 1.772 34.200 32.500 -0.120 0.000 1.143 675 K HN 0.658 nan 8.250 nan 0.000 0.427 676 E N 4.601 124.524 120.200 -0.462 0.000 2.256 676 E HA 0.058 4.408 4.350 0.001 0.000 0.243 676 E C 0.114 176.507 176.600 -0.345 0.000 0.925 676 E CA -0.088 55.967 56.400 -0.574 0.000 0.748 676 E CB 1.323 30.303 29.700 -1.201 0.000 1.206 676 E HN 0.721 nan 8.360 nan 0.000 0.428 677 K N 1.885 122.151 120.400 -0.223 0.000 2.074 677 K HA -0.151 4.170 4.320 0.001 0.000 0.209 677 K C 1.191 177.709 176.600 -0.137 0.000 1.048 677 K CA 1.939 58.134 56.287 -0.154 0.000 0.926 677 K CB 0.283 32.712 32.500 -0.119 0.000 0.713 677 K HN 0.277 nan 8.250 nan 0.000 0.444 678 T N 1.606 116.075 114.554 -0.140 0.000 2.788 678 T HA -0.108 4.243 4.350 0.001 0.000 0.268 678 T C 1.658 176.298 174.700 -0.101 0.000 1.044 678 T CA 1.253 63.292 62.100 -0.101 0.000 1.139 678 T CB -0.012 68.809 68.868 -0.079 0.000 0.867 678 T HN 0.210 nan 8.240 nan 0.000 0.454 679 L N 0.086 121.211 121.223 -0.163 0.000 2.567 679 L HA 0.298 4.639 4.340 0.001 0.000 0.225 679 L C 1.865 178.634 176.870 -0.167 0.000 1.119 679 L CA 0.231 54.965 54.840 -0.177 0.000 0.871 679 L CB -0.333 41.543 42.059 -0.305 0.000 1.036 679 L HN 0.460 nan 8.230 nan 0.000 0.459 680 G N 1.110 109.817 108.800 -0.155 0.000 2.179 680 G HA2 -0.286 3.675 3.960 0.001 0.000 0.257 680 G HA3 -0.286 3.675 3.960 0.001 0.000 0.257 680 G C 0.068 174.902 174.900 -0.111 0.000 1.010 680 G CA 0.021 45.057 45.100 -0.106 0.000 0.736 680 G HN 0.242 nan 8.290 nan 0.000 0.513 681 L N -0.229 120.876 121.223 -0.196 0.000 2.307 681 L HA 0.704 5.044 4.340 0.001 0.000 0.282 681 L C 0.164 176.983 176.870 -0.085 0.000 1.051 681 L CA -1.116 53.638 54.840 -0.142 0.000 0.804 681 L CB 1.981 43.903 42.059 -0.229 0.000 1.197 681 L HN -0.053 nan 8.230 nan 0.000 0.431 682 V N 1.922 121.859 119.914 0.038 0.000 2.524 682 V HA 0.581 4.701 4.120 0.001 0.000 0.297 682 V C 0.229 176.418 176.094 0.158 0.000 1.035 682 V CA -0.536 61.798 62.300 0.058 0.000 0.867 682 V CB 1.682 33.526 31.823 0.035 0.000 1.004 682 V HN 0.864 nan 8.190 nan 0.000 0.426 683 G N 2.960 111.878 108.800 0.197 0.000 2.400 683 G HA2 0.833 4.793 3.960 0.001 0.000 0.333 683 G HA3 0.833 4.793 3.960 0.001 0.000 0.333 683 G C -0.719 174.348 174.900 0.280 0.000 1.143 683 G CA -0.311 44.998 45.100 0.347 0.000 0.914 683 G HN 1.228 nan 8.290 nan 0.000 0.480 684 A N 1.720 124.730 122.820 0.317 0.000 2.465 684 A HA 0.658 4.978 4.320 0.001 0.000 0.292 684 A C -0.731 176.859 177.584 0.009 0.000 1.041 684 A CA -0.801 51.285 52.037 0.080 0.000 0.718 684 A CB 1.135 20.068 19.000 -0.112 0.000 1.266 684 A HN 0.673 nan 8.150 nan 0.000 0.403 685 N N 1.117 119.731 118.700 -0.142 0.000 2.424 685 N HA 0.594 5.334 4.740 0.001 0.000 0.271 685 N C -1.627 173.517 175.510 -0.610 0.000 0.985 685 N CA -0.185 52.711 53.050 -0.257 0.000 0.921 685 N CB 1.186 39.411 38.487 -0.438 0.000 1.149 685 N HN 0.494 nan 8.380 nan 0.000 0.492 686 F N 1.277 121.122 119.950 -0.174 0.000 2.385 686 F HA 0.274 4.802 4.527 0.000 0.000 0.360 686 F C 0.341 176.085 175.800 -0.093 0.000 1.122 686 F CA -0.787 57.155 58.000 -0.097 0.000 1.090 686 F CB 0.600 39.615 39.000 0.026 0.000 1.150 686 F HN 0.603 nan 8.300 nan 0.000 0.472 687 W N 0.784 122.201 121.300 0.194 0.000 3.003 687 W HA 0.096 4.756 4.660 0.001 0.000 0.257 687 W C 0.845 177.467 176.519 0.172 0.000 1.308 687 W CA 0.195 57.574 57.345 0.057 0.000 1.529 687 W CB 0.070 29.416 29.460 -0.189 0.000 1.115 687 W HN 0.385 nan 8.180 nan 0.000 0.659 688 T N -3.406 111.362 114.554 0.358 0.000 2.907 688 T HA 0.275 4.625 4.350 0.001 0.000 0.290 688 T C -0.260 174.558 174.700 0.196 0.000 1.066 688 T CA -0.822 61.429 62.100 0.252 0.000 1.012 688 T CB 2.173 71.151 68.868 0.183 0.000 1.184 688 T HN -0.275 nan 8.240 nan 0.000 0.522 689 D N 2.216 122.697 120.400 0.135 0.000 3.134 689 D HA 0.254 4.894 4.640 0.001 0.000 0.248 689 D C 0.260 176.591 176.300 0.051 0.000 1.273 689 D CA 0.069 54.117 54.000 0.079 0.000 0.904 689 D CB -0.179 40.657 40.800 0.060 0.000 1.089 689 D HN 0.780 nan 8.370 nan 0.000 0.478 690 T N -3.325 111.267 114.554 0.063 0.000 2.906 690 T HA 0.351 4.702 4.350 0.001 0.000 0.295 690 T C 0.215 174.932 174.700 0.028 0.000 1.061 690 T CA -0.766 61.359 62.100 0.042 0.000 1.000 690 T CB 1.852 70.754 68.868 0.057 0.000 1.103 690 T HN -0.200 nan 8.240 nan 0.000 0.486 691 T N 3.504 118.058 114.554 -0.001 0.000 2.829 691 T HA 0.280 4.631 4.350 0.001 0.000 0.293 691 T C -0.142 174.573 174.700 0.026 0.000 0.970 691 T CA 0.074 62.158 62.100 -0.025 0.000 1.168 691 T CB -0.078 68.767 68.868 -0.038 0.000 0.911 691 T HN 0.600 nan 8.240 nan 0.000 0.535 692 Q N 1.521 121.351 119.800 0.050 0.000 2.456 692 Q HA 0.551 4.892 4.340 0.001 0.000 0.283 692 Q C -0.884 175.249 176.000 0.222 0.000 1.084 692 Q CA -0.948 54.958 55.803 0.172 0.000 0.801 692 Q CB 2.540 31.480 28.738 0.336 0.000 1.434 692 Q HN 0.489 nan 8.270 nan 0.000 0.419 693 T N 0.740 115.424 114.554 0.216 0.000 2.861 693 T HA 0.736 5.087 4.350 0.001 0.000 0.287 693 T C -1.367 173.445 174.700 0.186 0.000 1.003 693 T CA -0.637 61.583 62.100 0.200 0.000 0.977 693 T CB 1.483 70.401 68.868 0.083 0.000 0.996 693 T HN 0.598 nan 8.240 nan 0.000 0.448 694 A N 3.038 125.977 122.820 0.197 0.000 2.457 694 A HA 0.695 5.015 4.320 0.001 0.000 0.283 694 A C 0.099 177.723 177.584 0.067 0.000 1.166 694 A CA -0.476 51.605 52.037 0.075 0.000 0.740 694 A CB 0.234 19.216 19.000 -0.029 0.000 1.181 694 A HN 0.994 nan 8.150 nan 0.000 0.446 695 D N 0.421 120.839 120.400 0.030 0.000 3.685 695 D HA -0.310 4.330 4.640 0.001 0.000 0.152 695 D C 1.161 177.479 176.300 0.030 0.000 0.966 695 D CA 2.727 56.737 54.000 0.018 0.000 1.085 695 D CB -0.810 39.994 40.800 0.006 0.000 0.521 695 D HN 1.131 nan 8.370 nan 0.000 0.543 696 L N -0.417 120.824 121.223 0.029 0.000 2.552 696 L HA 0.354 4.694 4.340 0.001 0.000 0.227 696 L C 0.704 177.595 176.870 0.034 0.000 1.146 696 L CA 0.136 54.989 54.840 0.022 0.000 0.858 696 L CB -0.331 41.736 42.059 0.013 0.000 0.969 696 L HN 0.229 nan 8.230 nan 0.000 0.451 697 I N 1.069 121.690 120.570 0.085 0.000 2.331 697 I HA 0.290 4.460 4.170 0.001 0.000 0.292 697 I C -0.262 175.928 176.117 0.121 0.000 0.998 697 I CA -0.088 61.282 61.300 0.116 0.000 1.267 697 I CB 1.545 39.690 38.000 0.242 0.000 1.386 697 I HN -0.031 nan 8.210 nan 0.000 0.476 698 T N 4.336 118.863 114.554 -0.044 0.000 2.824 698 T HA 0.438 4.788 4.350 0.001 0.000 0.282 698 T C -0.538 173.936 174.700 -0.377 0.000 0.993 698 T CA -0.575 61.444 62.100 -0.134 0.000 0.967 698 T CB 1.678 70.477 68.868 -0.114 0.000 0.960 698 T HN 0.592 nan 8.240 nan 0.000 0.441 699 S N 1.157 116.487 115.700 -0.617 0.000 2.548 699 S HA 0.406 4.876 4.470 0.001 0.000 0.286 699 S C 0.646 174.985 174.600 -0.435 0.000 1.098 699 S CA -0.850 56.918 58.200 -0.721 0.000 0.930 699 S CB 0.866 63.240 63.200 -1.377 0.000 1.070 699 S HN 0.870 nan 8.310 nan 0.000 0.480 700 N N 2.158 120.677 118.700 -0.302 0.000 2.254 700 N HA 0.270 5.010 4.740 0.001 0.000 0.190 700 N C 0.057 175.496 175.510 -0.119 0.000 1.107 700 N CA -0.369 52.578 53.050 -0.172 0.000 0.869 700 N CB 0.298 38.700 38.487 -0.142 0.000 0.983 700 N HN 0.326 nan 8.380 nan 0.000 0.487 701 K N 0.153 120.466 120.400 -0.145 0.000 2.499 701 K HA 0.305 4.625 4.320 0.001 0.000 0.277 701 K C -1.164 175.435 176.600 -0.001 0.000 1.025 701 K CA -0.901 55.354 56.287 -0.054 0.000 0.900 701 K CB 1.737 34.199 32.500 -0.063 0.000 1.494 701 K HN -0.113 nan 8.250 nan 0.000 0.442 702 K N 1.001 121.448 120.400 0.079 0.000 2.484 702 K HA 0.291 4.612 4.320 0.001 0.000 0.280 702 K C -0.628 175.982 176.600 0.016 0.000 1.013 702 K CA 0.230 56.622 56.287 0.175 0.000 1.029 702 K CB 0.448 33.046 32.500 0.164 0.000 0.902 702 K HN 0.610 nan 8.250 nan 0.000 0.481 703 A N 1.760 124.654 122.820 0.122 0.000 2.586 703 A HA 0.444 4.764 4.320 0.001 0.000 0.291 703 A C -1.408 176.289 177.584 0.189 0.000 1.062 703 A CA -0.715 51.334 52.037 0.020 0.000 0.666 703 A CB 1.892 20.896 19.000 0.006 0.000 1.281 703 A HN 0.436 nan 8.150 nan 0.000 0.421 704 S N 0.048 115.796 115.700 0.079 0.000 2.498 704 S HA 0.700 5.170 4.470 0.001 0.000 0.317 704 S C -1.092 173.627 174.600 0.198 0.000 1.090 704 S CA -0.367 57.937 58.200 0.174 0.000 1.089 704 S CB 0.730 63.984 63.200 0.089 0.000 0.997 704 S HN 1.294 nan 8.310 nan 0.000 0.470 705 V N 5.845 125.922 119.914 0.272 0.000 2.789 705 V HA 0.673 4.793 4.120 0.001 0.000 0.311 705 V C -0.392 175.858 176.094 0.260 0.000 1.073 705 V CA -0.769 61.693 62.300 0.271 0.000 0.921 705 V CB 1.917 33.938 31.823 0.330 0.000 1.009 705 V HN 0.943 nan 8.190 nan 0.000 0.426 706 M N 3.965 123.708 119.600 0.237 0.000 2.324 706 M HA 0.690 5.170 4.480 0.001 0.000 0.288 706 M C -0.754 175.676 176.300 0.217 0.000 1.097 706 M CA -0.040 55.397 55.300 0.229 0.000 0.928 706 M CB 2.369 35.097 32.600 0.213 0.000 1.648 706 M HN 0.917 nan 8.290 nan 0.000 0.460 707 T N 1.126 115.794 114.554 0.189 0.000 2.907 707 T HA 0.703 5.053 4.350 0.001 0.000 0.292 707 T C -0.997 173.780 174.700 0.127 0.000 1.043 707 T CA -0.943 61.257 62.100 0.166 0.000 1.003 707 T CB 2.088 71.043 68.868 0.145 0.000 1.084 707 T HN 0.842 nan 8.240 nan 0.000 0.483 708 R N 0.937 121.512 120.500 0.125 0.000 2.502 708 R HA 0.399 4.740 4.340 0.001 0.000 0.300 708 R C -1.179 175.168 176.300 0.078 0.000 0.984 708 R CA -0.454 55.693 56.100 0.079 0.000 0.882 708 R CB 1.544 31.905 30.300 0.102 0.000 1.180 708 R HN 0.909 nan 8.270 nan 0.000 0.444 709 E N 5.861 126.085 120.200 0.041 0.000 2.151 709 E HA 0.255 4.606 4.350 0.001 0.000 0.275 709 E C -0.721 175.896 176.600 0.028 0.000 0.936 709 E CA -0.752 55.673 56.400 0.042 0.000 0.777 709 E CB 1.014 30.730 29.700 0.026 0.000 1.108 709 E HN 0.407 nan 8.360 nan 0.000 0.401 710 I N 3.882 124.477 120.570 0.042 0.000 2.359 710 I HA 0.241 4.411 4.170 0.001 0.000 0.284 710 I C 0.405 176.539 176.117 0.030 0.000 1.018 710 I CA -0.762 60.558 61.300 0.033 0.000 1.173 710 I CB 0.305 38.332 38.000 0.045 0.000 1.326 710 I HN 0.627 nan 8.210 nan 0.000 0.462 711 A N 5.568 128.398 122.820 0.017 0.000 2.592 711 A HA -0.057 4.264 4.320 0.001 0.000 0.250 711 A C 0.888 178.484 177.584 0.020 0.000 1.017 711 A CA 0.502 52.548 52.037 0.014 0.000 0.794 711 A CB -0.421 18.582 19.000 0.005 0.000 0.917 711 A HN 0.830 nan 8.150 nan 0.000 0.515 712 D N 0.946 121.359 120.400 0.022 0.000 3.039 712 D HA -0.153 4.488 4.640 0.001 0.000 0.222 712 D C 0.858 177.177 176.300 0.031 0.000 1.179 712 D CA 1.882 55.897 54.000 0.025 0.000 0.880 712 D CB -0.347 40.464 40.800 0.018 0.000 1.115 712 D HN 0.803 nan 8.370 nan 0.000 0.416 713 E N -0.819 119.404 120.200 0.038 0.000 2.870 713 E HA 0.204 4.554 4.350 0.001 0.000 0.185 713 E C 1.120 177.755 176.600 0.059 0.000 1.084 713 E CA 0.459 56.885 56.400 0.043 0.000 1.246 713 E CB 0.921 30.645 29.700 0.039 0.000 1.382 713 E HN 0.540 nan 8.360 nan 0.000 0.492 714 R N -0.204 120.338 120.500 0.069 0.000 2.733 714 R HA 0.630 4.970 4.340 0.001 0.000 0.272 714 R C -1.617 174.750 176.300 0.111 0.000 1.029 714 R CA -0.806 55.352 56.100 0.096 0.000 0.888 714 R CB 0.956 31.310 30.300 0.090 0.000 1.251 714 R HN 0.037 nan 8.270 nan 0.000 0.464 715 L N 1.002 122.321 121.223 0.161 0.000 2.415 715 L HA 0.460 4.800 4.340 0.001 0.000 0.268 715 L C -0.966 176.043 176.870 0.232 0.000 0.984 715 L CA -0.128 54.817 54.840 0.176 0.000 0.853 715 L CB 1.926 44.082 42.059 0.161 0.000 1.215 715 L HN 0.724 nan 8.230 nan 0.000 0.419 716 E N 3.084 123.389 120.200 0.175 0.000 2.283 716 E HA 0.802 5.152 4.350 0.001 0.000 0.271 716 E C -0.899 175.783 176.600 0.137 0.000 1.031 716 E CA -0.622 55.859 56.400 0.136 0.000 0.868 716 E CB 1.652 31.505 29.700 0.255 0.000 1.094 716 E HN 0.727 nan 8.360 nan 0.000 0.401 717 A N 1.681 124.499 122.820 -0.004 0.000 2.459 717 A HA 0.550 4.870 4.320 0.001 0.000 0.296 717 A C -1.066 176.557 177.584 0.065 0.000 1.039 717 A CA -0.607 51.502 52.037 0.121 0.000 0.698 717 A CB 1.855 21.019 19.000 0.274 0.000 1.261 717 A HN 0.403 nan 8.150 nan 0.000 0.405 718 S N 0.200 116.031 115.700 0.218 0.000 2.521 718 S HA 0.783 5.253 4.470 0.001 0.000 0.295 718 S C -0.829 173.926 174.600 0.259 0.000 1.098 718 S CA -0.478 57.877 58.200 0.258 0.000 0.999 718 S CB 1.766 65.140 63.200 0.290 0.000 1.034 718 S HN 0.934 nan 8.310 nan 0.000 0.483 719 V N 2.343 122.427 119.914 0.283 0.000 2.925 719 V HA 0.870 4.990 4.120 0.001 0.000 0.311 719 V C -0.501 175.752 176.094 0.265 0.000 1.104 719 V CA -0.717 61.735 62.300 0.254 0.000 0.954 719 V CB 2.135 34.114 31.823 0.259 0.000 1.022 719 V HN 0.972 nan 8.190 nan 0.000 0.427 720 S N 0.892 116.688 115.700 0.160 0.000 2.588 720 S HA 0.676 5.146 4.470 0.001 0.000 0.275 720 S C -1.513 173.076 174.600 -0.017 0.000 1.130 720 S CA -0.726 57.550 58.200 0.126 0.000 0.855 720 S CB 2.224 65.460 63.200 0.059 0.000 1.116 720 S HN 0.791 nan 8.310 nan 0.000 0.472 721 D N 1.225 121.599 120.400 -0.044 0.000 2.477 721 D HA 0.517 5.157 4.640 0.001 0.000 0.239 721 D C -1.904 174.234 176.300 -0.270 0.000 1.102 721 D CA -2.323 51.573 54.000 -0.174 0.000 0.901 721 D CB 1.499 42.243 40.800 -0.094 0.000 1.026 721 D HN 0.210 nan 8.370 nan 0.000 0.515 722 P HA -0.115 nan 4.420 nan 0.000 0.220 722 P C 1.332 178.410 177.300 -0.369 0.000 1.148 722 P CA 1.163 63.937 63.100 -0.543 0.000 0.803 722 P CB 0.076 31.093 31.700 -1.139 0.000 0.782 723 T N -3.588 110.731 114.554 -0.392 0.000 2.962 723 T HA -0.171 4.179 4.350 0.001 0.000 0.270 723 T C 1.195 175.845 174.700 -0.083 0.000 1.088 723 T CA 0.571 62.571 62.100 -0.166 0.000 1.127 723 T CB -1.110 67.688 68.868 -0.116 0.000 0.883 723 T HN 0.198 nan 8.240 nan 0.000 0.493 724 Q N -0.404 119.342 119.800 -0.090 0.000 2.480 724 Q HA -0.247 4.093 4.340 0.001 0.000 0.265 724 Q C 0.919 176.909 176.000 -0.017 0.000 1.072 724 Q CA 0.566 56.347 55.803 -0.036 0.000 1.018 724 Q CB -1.995 26.730 28.738 -0.021 0.000 1.433 724 Q HN 0.840 nan 8.270 nan 0.000 0.513 725 A N -0.202 122.602 122.820 -0.025 0.000 2.551 725 A HA 0.112 4.432 4.320 0.001 0.000 0.252 725 A C 0.236 177.814 177.584 -0.010 0.000 1.199 725 A CA -0.210 51.823 52.037 -0.008 0.000 0.972 725 A CB 0.527 19.528 19.000 0.002 0.000 1.153 725 A HN 0.249 nan 8.150 nan 0.000 0.559 726 N N 1.406 120.091 118.700 -0.025 0.000 2.420 726 N HA 0.103 4.843 4.740 0.001 0.000 0.262 726 N C -0.109 175.389 175.510 -0.020 0.000 1.144 726 N CA 0.238 53.272 53.050 -0.027 0.000 0.952 726 N CB 0.134 38.592 38.487 -0.048 0.000 1.081 726 N HN 0.401 nan 8.380 nan 0.000 0.480 727 N N 1.415 120.106 118.700 -0.015 0.000 2.322 727 N HA 0.127 4.867 4.740 0.001 0.000 0.194 727 N C 0.781 176.280 175.510 -0.019 0.000 1.126 727 N CA -0.243 52.800 53.050 -0.010 0.000 0.845 727 N CB 0.654 39.139 38.487 -0.003 0.000 0.976 727 N HN 0.593 nan 8.380 nan 0.000 0.475 728 G N -0.132 108.648 108.800 -0.032 0.000 3.054 728 G HA2 0.305 4.265 3.960 0.001 0.000 0.201 728 G HA3 0.305 4.265 3.960 0.001 0.000 0.201 728 G C -0.139 174.720 174.900 -0.067 0.000 1.694 728 G CA 0.083 45.158 45.100 -0.042 0.000 0.742 728 G HN 0.205 nan 8.290 nan 0.000 0.790 729 T N -2.140 112.368 114.554 -0.077 0.000 2.838 729 T HA 0.730 5.080 4.350 0.001 0.000 0.292 729 T C -1.141 173.492 174.700 -0.112 0.000 1.113 729 T CA -0.657 61.379 62.100 -0.106 0.000 1.008 729 T CB 1.926 70.733 68.868 -0.102 0.000 1.259 729 T HN 0.296 nan 8.240 nan 0.000 0.520 730 I N 1.209 121.697 120.570 -0.137 0.000 2.418 730 I HA 0.583 4.753 4.170 0.001 0.000 0.287 730 I C 0.055 176.048 176.117 -0.207 0.000 1.008 730 I CA -1.228 59.977 61.300 -0.158 0.000 1.104 730 I CB 1.704 39.616 38.000 -0.147 0.000 1.264 730 I HN 0.964 nan 8.210 nan 0.000 0.438 731 A N 8.129 130.810 122.820 -0.232 0.000 2.260 731 A HA 0.719 5.039 4.320 0.001 0.000 0.308 731 A C -0.497 176.842 177.584 -0.408 0.000 1.254 731 A CA -0.355 51.508 52.037 -0.290 0.000 0.874 731 A CB 0.309 19.182 19.000 -0.212 0.000 1.153 731 A HN 0.526 nan 8.150 nan 0.000 0.527 732 I N 1.608 121.792 120.570 -0.643 0.000 2.530 732 I HA 0.473 4.643 4.170 0.001 0.000 0.297 732 I C 0.098 175.821 176.117 -0.657 0.000 1.011 732 I CA -0.316 60.545 61.300 -0.731 0.000 1.107 732 I CB 1.738 39.103 38.000 -1.058 0.000 1.285 732 I HN 0.857 nan 8.210 nan 0.000 0.436 733 E N 6.192 126.155 120.200 -0.395 0.000 2.256 733 E HA 0.588 4.939 4.350 0.001 0.000 0.268 733 E C -1.860 174.637 176.600 -0.172 0.000 0.877 733 E CA -0.577 55.668 56.400 -0.258 0.000 0.757 733 E CB 1.970 31.559 29.700 -0.184 0.000 1.183 733 E HN 0.487 nan 8.360 nan 0.000 0.418 734 L N 3.297 124.435 121.223 -0.142 0.000 2.313 734 L HA 0.542 4.882 4.340 0.001 0.000 0.283 734 L C 0.297 177.111 176.870 -0.094 0.000 1.013 734 L CA -0.949 53.833 54.840 -0.095 0.000 0.816 734 L CB 1.789 43.786 42.059 -0.104 0.000 1.236 734 L HN 0.704 nan 8.230 nan 0.000 0.419 735 A N 4.353 127.139 122.820 -0.056 0.000 2.900 735 A HA 0.276 4.596 4.320 0.001 0.000 0.246 735 A C 0.219 177.778 177.584 -0.043 0.000 1.725 735 A CA 0.005 52.015 52.037 -0.046 0.000 1.400 735 A CB -0.802 18.182 19.000 -0.027 0.000 0.973 735 A HN 0.601 nan 8.150 nan 0.000 0.635 736 R N -0.568 119.894 120.500 -0.062 0.000 2.707 736 R HA 0.449 4.790 4.340 0.001 0.000 0.272 736 R C -1.026 175.239 176.300 -0.058 0.000 1.011 736 R CA -0.516 55.555 56.100 -0.048 0.000 0.893 736 R CB 1.556 31.832 30.300 -0.040 0.000 1.233 736 R HN 0.259 nan 8.270 nan 0.000 0.464 737 S N 0.423 116.105 115.700 -0.029 0.000 2.442 737 S HA 0.707 5.178 4.470 0.001 0.000 0.297 737 S C -0.623 173.982 174.600 0.008 0.000 1.131 737 S CA -0.360 57.830 58.200 -0.017 0.000 1.092 737 S CB 0.757 63.955 63.200 -0.004 0.000 0.998 737 S HN 0.614 nan 8.310 nan 0.000 0.478 738 A N 3.718 126.552 122.820 0.023 0.000 2.330 738 A HA 0.627 4.947 4.320 0.001 0.000 0.329 738 A C 0.529 178.175 177.584 0.104 0.000 1.135 738 A CA -0.606 51.486 52.037 0.092 0.000 0.817 738 A CB 0.791 19.896 19.000 0.175 0.000 1.269 738 A HN 0.897 nan 8.150 nan 0.000 0.469 739 E N 0.339 120.609 120.200 0.117 0.000 2.216 739 E HA 0.296 4.646 4.350 0.001 0.000 0.192 739 E C 0.862 177.536 176.600 0.124 0.000 0.973 739 E CA 0.677 57.135 56.400 0.097 0.000 0.851 739 E CB 0.407 30.149 29.700 0.071 0.000 0.804 739 E HN 0.816 nan 8.360 nan 0.000 0.477 740 G N -0.153 108.749 108.800 0.170 0.000 2.548 740 G HA2 0.454 4.415 3.960 0.001 0.000 0.301 740 G HA3 0.454 4.415 3.960 0.001 0.000 0.301 740 G C -1.930 173.132 174.900 0.269 0.000 1.349 740 G CA -0.541 44.674 45.100 0.192 0.000 0.792 740 G HN 0.124 nan 8.290 nan 0.000 0.481 741 Y N -1.494 118.791 120.300 -0.025 0.000 2.750 741 Y HA 0.816 5.366 4.550 0.001 0.000 0.335 741 Y C -0.677 175.103 175.900 -0.201 0.000 1.252 741 Y CA -1.011 56.972 58.100 -0.195 0.000 1.064 741 Y CB 1.227 39.491 38.460 -0.327 0.000 1.321 741 Y HN 1.467 nan 8.280 nan 0.000 0.451 742 S N 1.280 116.709 115.700 -0.453 0.000 2.533 742 S HA 1.009 5.479 4.470 0.001 0.000 0.271 742 S C -1.276 173.211 174.600 -0.188 0.000 1.143 742 S CA -0.108 57.846 58.200 -0.410 0.000 0.891 742 S CB 1.537 64.589 63.200 -0.247 0.000 1.105 742 S HN 2.084 nan 8.310 nan 0.000 0.468 743 A N 1.455 124.226 122.820 -0.082 0.000 2.610 743 A HA 0.724 5.045 4.320 0.001 0.000 0.291 743 A C -1.528 176.076 177.584 0.032 0.000 1.086 743 A CA -0.852 51.160 52.037 -0.040 0.000 0.677 743 A CB 0.714 19.675 19.000 -0.065 0.000 1.278 743 A HN 0.752 nan 8.150 nan 0.000 0.414 744 D N 2.032 122.479 120.400 0.079 0.000 2.419 744 D HA 0.328 4.968 4.640 0.001 0.000 0.236 744 D C -2.075 174.311 176.300 0.145 0.000 1.165 744 D CA -0.096 53.982 54.000 0.130 0.000 0.882 744 D CB 0.392 41.319 40.800 0.212 0.000 1.201 744 D HN 0.317 nan 8.370 nan 0.000 0.443 745 P HA 0.177 nan 4.420 nan 0.000 0.276 745 P C 0.613 178.022 177.300 0.183 0.000 1.230 745 P CA -0.098 63.075 63.100 0.123 0.000 0.776 745 P CB 1.263 33.020 31.700 0.096 0.000 0.888 746 G N 2.715 111.579 108.800 0.106 0.000 2.428 746 G HA2 -0.144 3.816 3.960 0.001 0.000 0.199 746 G HA3 -0.144 3.816 3.960 0.001 0.000 0.199 746 G C -0.075 174.775 174.900 -0.084 0.000 1.005 746 G CA -0.465 44.642 45.100 0.012 0.000 0.671 746 G HN 0.476 nan 8.290 nan 0.000 0.485 747 I N 2.454 123.034 120.570 0.018 0.000 2.353 747 I HA 0.494 4.664 4.170 0.001 0.000 0.293 747 I C -0.319 175.830 176.117 0.052 0.000 0.992 747 I CA -0.318 61.002 61.300 0.032 0.000 1.268 747 I CB 1.908 39.914 38.000 0.010 0.000 1.387 747 I HN 0.005 nan 8.210 nan 0.000 0.478 748 T N 5.769 120.367 114.554 0.072 0.000 2.833 748 T HA 0.338 4.688 4.350 0.001 0.000 0.297 748 T C -0.227 174.508 174.700 0.059 0.000 1.015 748 T CA -0.416 61.717 62.100 0.055 0.000 0.963 748 T CB 1.321 70.211 68.868 0.037 0.000 0.955 748 T HN 0.132 nan 8.240 nan 0.000 0.449 749 V N 4.299 124.177 119.914 -0.060 0.000 2.461 749 V HA 0.293 4.414 4.120 0.001 0.000 0.275 749 V C 1.565 177.617 176.094 -0.069 0.000 1.047 749 V CA -0.148 62.073 62.300 -0.133 0.000 0.955 749 V CB 1.099 32.509 31.823 -0.689 0.000 0.988 749 V HN 1.112 nan 8.190 nan 0.000 0.471 750 T N 0.837 115.383 114.554 -0.015 0.000 2.985 750 T HA 0.243 4.594 4.350 0.001 0.000 0.254 750 T C 0.319 175.011 174.700 -0.014 0.000 1.021 750 T CA 0.007 62.101 62.100 -0.011 0.000 0.957 750 T CB 0.357 69.219 68.868 -0.010 0.000 1.047 750 T HN 0.559 nan 8.240 nan 0.000 0.511 751 Q N -0.296 119.491 119.800 -0.022 0.000 2.353 751 Q HA 0.530 4.871 4.340 0.001 0.000 0.275 751 Q C -0.865 175.118 176.000 -0.028 0.000 1.029 751 Q CA -0.561 55.230 55.803 -0.020 0.000 0.848 751 Q CB 2.095 30.814 28.738 -0.031 0.000 1.390 751 Q HN 0.231 nan 8.270 nan 0.000 0.401 752 L N 0.648 121.869 121.223 -0.004 0.000 2.609 752 L HA 0.644 4.984 4.340 0.001 0.000 0.230 752 L C 0.222 177.086 176.870 -0.011 0.000 1.064 752 L CA 0.299 55.144 54.840 0.008 0.000 0.873 752 L CB 1.162 43.273 42.059 0.087 0.000 1.139 752 L HN 0.600 nan 8.230 nan 0.000 0.490 753 A N -0.388 122.429 122.820 -0.006 0.000 2.572 753 A HA 0.596 4.917 4.320 0.001 0.000 0.295 753 A C -2.162 175.414 177.584 -0.013 0.000 1.072 753 A CA -0.775 51.257 52.037 -0.010 0.000 0.691 753 A CB 0.782 19.786 19.000 0.007 0.000 1.291 753 A HN -0.120 nan 8.150 nan 0.000 0.404 754 P HA 0.005 nan 4.420 nan 0.000 0.230 754 P C 0.512 177.792 177.300 -0.033 0.000 1.158 754 P CA 1.547 64.635 63.100 -0.019 0.000 0.769 754 P CB 0.027 31.716 31.700 -0.017 0.000 0.807 755 T N -2.952 111.574 114.554 -0.047 0.000 2.883 755 T HA 0.603 4.953 4.350 0.001 0.000 0.296 755 T C -0.261 174.380 174.700 -0.099 0.000 1.117 755 T CA -0.923 61.134 62.100 -0.072 0.000 1.006 755 T CB 1.484 70.311 68.868 -0.070 0.000 1.191 755 T HN -0.179 nan 8.240 nan 0.000 0.508 756 I N 1.600 122.077 120.570 -0.156 0.000 2.395 756 I HA 0.415 4.585 4.170 0.001 0.000 0.289 756 I C 0.210 176.240 176.117 -0.145 0.000 1.023 756 I CA -0.436 60.731 61.300 -0.223 0.000 1.350 756 I CB 0.931 38.624 38.000 -0.512 0.000 1.409 756 I HN 0.495 nan 8.210 nan 0.000 0.507 757 K N 7.329 127.687 120.400 -0.069 0.000 2.482 757 K HA 0.684 5.005 4.320 0.001 0.000 0.251 757 K C -1.273 175.370 176.600 0.072 0.000 0.936 757 K CA -0.617 55.623 56.287 -0.078 0.000 0.791 757 K CB 2.447 34.892 32.500 -0.092 0.000 1.213 757 K HN 0.485 nan 8.250 nan 0.000 0.428 758 F N -1.857 118.029 119.950 -0.106 0.000 2.741 758 F HA 0.550 5.078 4.527 0.001 0.000 0.311 758 F C -0.957 174.796 175.800 -0.079 0.000 1.149 758 F CA -1.007 56.945 58.000 -0.079 0.000 0.930 758 F CB 1.222 40.206 39.000 -0.027 0.000 1.312 758 F HN 0.396 nan 8.300 nan 0.000 0.450 759 T N -0.425 114.186 114.554 0.095 0.000 2.912 759 T HA 0.799 5.149 4.350 0.001 0.000 0.288 759 T C -1.317 173.420 174.700 0.062 0.000 1.030 759 T CA -0.892 61.190 62.100 -0.030 0.000 1.020 759 T CB 1.743 70.576 68.868 -0.058 0.000 1.056 759 T HN 0.749 nan 8.240 nan 0.000 0.480 760 V N 2.720 122.602 119.914 -0.053 0.000 2.378 760 V HA 0.431 4.551 4.120 0.001 0.000 0.288 760 V C 0.008 175.920 176.094 -0.304 0.000 1.016 760 V CA -1.032 61.163 62.300 -0.176 0.000 0.840 760 V CB 1.025 32.753 31.823 -0.159 0.000 0.994 760 V HN 1.016 nan 8.190 nan 0.000 0.431 761 N N 4.190 122.673 118.700 -0.361 0.000 2.405 761 N HA 0.159 4.899 4.740 0.001 0.000 0.260 761 N C 0.444 175.723 175.510 -0.385 0.000 1.152 761 N CA -0.149 52.736 53.050 -0.276 0.000 0.948 761 N CB 1.481 39.869 38.487 -0.164 0.000 1.111 761 N HN 0.558 nan 8.380 nan 0.000 0.485 762 V N 0.853 120.635 119.914 -0.220 0.000 3.376 762 V HA 0.314 4.434 4.120 0.001 0.000 0.313 762 V C 0.560 176.659 176.094 0.008 0.000 1.393 762 V CA -0.764 61.480 62.300 -0.094 0.000 1.125 762 V CB -1.230 30.558 31.823 -0.057 0.000 1.037 762 V HN 0.589 nan 8.190 nan 0.000 0.440 763 N N 2.699 121.394 118.700 -0.008 0.000 2.434 763 N HA 0.351 5.091 4.740 0.001 0.000 0.268 763 N C 1.371 176.912 175.510 0.052 0.000 1.256 763 N CA 1.545 54.604 53.050 0.016 0.000 0.914 763 N CB 0.349 38.840 38.487 0.006 0.000 1.088 763 N HN 0.752 nan 8.380 nan 0.000 0.478 764 G N 2.280 111.111 108.800 0.051 0.000 2.179 764 G HA2 -0.297 3.663 3.960 0.001 0.000 0.257 764 G HA3 -0.297 3.663 3.960 0.001 0.000 0.257 764 G C 0.923 175.878 174.900 0.092 0.000 1.010 764 G CA 0.630 45.768 45.100 0.063 0.000 0.736 764 G HN 0.937 nan 8.290 nan 0.000 0.513 765 A N -0.339 122.557 122.820 0.127 0.000 2.066 765 A HA 0.331 4.652 4.320 0.001 0.000 0.218 765 A C 1.869 179.506 177.584 0.089 0.000 1.157 765 A CA 1.889 54.036 52.037 0.183 0.000 0.670 765 A CB -0.202 19.015 19.000 0.362 0.000 0.804 765 A HN 1.069 nan 8.150 nan 0.000 0.453 766 K N -2.248 118.189 120.400 0.062 0.000 3.035 766 K HA -0.230 4.091 4.320 0.001 0.000 0.262 766 K C 0.858 177.462 176.600 0.007 0.000 1.024 766 K CA 1.056 57.362 56.287 0.033 0.000 0.748 766 K CB -2.491 30.038 32.500 0.047 0.000 1.247 766 K HN 1.677 nan 8.250 nan 0.000 0.482 767 G N -0.089 108.714 108.800 0.006 0.000 2.159 767 G HA2 -0.412 3.548 3.960 0.001 0.000 0.256 767 G HA3 -0.412 3.548 3.960 0.001 0.000 0.256 767 G C 0.173 175.060 174.900 -0.022 0.000 0.977 767 G CA 1.074 46.161 45.100 -0.021 0.000 0.652 767 G HN 0.671 nan 8.290 nan 0.000 0.531 768 K N 0.190 120.565 120.400 -0.042 0.000 2.180 768 K HA 0.601 4.921 4.320 0.001 0.000 0.251 768 K C -0.010 176.489 176.600 -0.167 0.000 1.014 768 K CA 0.098 56.294 56.287 -0.150 0.000 0.913 768 K CB 0.796 33.124 32.500 -0.286 0.000 1.008 768 K HN 0.064 nan 8.250 nan 0.000 0.490 769 S N 0.996 116.580 115.700 -0.194 0.000 2.525 769 S HA 0.473 4.943 4.470 0.001 0.000 0.290 769 S C -1.070 173.395 174.600 -0.225 0.000 1.152 769 S CA -0.731 57.433 58.200 -0.061 0.000 1.072 769 S CB 0.249 63.473 63.200 0.040 0.000 1.027 769 S HN 0.419 nan 8.310 nan 0.000 0.500 770 F N 1.648 121.656 119.950 0.097 0.000 2.458 770 F HA 0.411 4.938 4.527 0.001 0.000 0.336 770 F C 0.343 176.223 175.800 0.134 0.000 1.114 770 F CA -0.739 57.322 58.000 0.102 0.000 0.987 770 F CB 1.186 40.238 39.000 0.087 0.000 1.130 770 F HN 0.588 nan 8.300 nan 0.000 0.458 771 H N 1.469 120.628 119.070 0.149 0.000 2.529 771 H HA 0.852 5.408 4.556 0.001 0.000 0.348 771 H C -1.365 173.955 175.328 -0.013 0.000 1.152 771 H CA -0.622 55.469 56.048 0.072 0.000 1.202 771 H CB 1.526 31.309 29.762 0.036 0.000 1.562 771 H HN 0.805 nan 8.280 nan 0.000 0.515 772 A N 2.535 124.917 122.820 -0.730 0.000 2.475 772 A HA 0.638 4.959 4.320 0.001 0.000 0.301 772 A C -1.256 175.833 177.584 -0.825 0.000 1.059 772 A CA -0.715 50.913 52.037 -0.681 0.000 0.710 772 A CB 1.646 20.188 19.000 -0.765 0.000 1.288 772 A HN 0.626 nan 8.150 nan 0.000 0.408 773 S N 0.607 115.916 115.700 -0.652 0.000 2.605 773 S HA 0.689 5.159 4.470 0.001 0.000 0.308 773 S C -1.313 172.985 174.600 -0.503 0.000 1.113 773 S CA -0.162 57.813 58.200 -0.375 0.000 1.049 773 S CB 0.319 63.463 63.200 -0.093 0.000 1.001 773 S HN 0.437 nan 8.310 nan 0.000 0.480 774 F N 1.905 121.861 119.950 0.009 0.000 2.458 774 F HA 0.403 4.931 4.527 0.001 0.000 0.336 774 F C 0.677 176.505 175.800 0.047 0.000 1.114 774 F CA -0.909 57.121 58.000 0.049 0.000 0.987 774 F CB 1.177 40.194 39.000 0.028 0.000 1.130 774 F HN 0.389 nan 8.300 nan 0.000 0.458 775 Q N 3.785 123.703 119.800 0.196 0.000 2.288 775 Q HA 0.427 4.768 4.340 0.001 0.000 0.258 775 Q C -0.769 175.313 176.000 0.136 0.000 0.957 775 Q CA -0.272 55.607 55.803 0.125 0.000 0.919 775 Q CB 1.181 29.970 28.738 0.085 0.000 1.185 775 Q HN 0.574 nan 8.270 nan 0.000 0.408 776 L N 1.964 123.248 121.223 0.102 0.000 2.334 776 L HA 0.779 5.120 4.340 0.001 0.000 0.277 776 L C 0.604 177.508 176.870 0.057 0.000 1.075 776 L CA -0.228 54.660 54.840 0.080 0.000 0.804 776 L CB 1.152 43.251 42.059 0.066 0.000 1.174 776 L HN 0.895 nan 8.230 nan 0.000 0.438 777 G N 0.000 108.828 108.800 0.047 0.000 5.446 777 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 777 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 777 G CA 0.000 45.121 45.100 0.036 0.000 0.502 777 G HN 0.000 nan 8.290 nan 0.000 0.925