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 2et6_1_A DATA FIRST_RESID 2 DATA SEQUENCE SPVDFKDKVV IITGAGGGLG KYYSLEFAKL GAKVVVNDLX XXXXXXXXXX DATA SEQUENCE KAADVVVDEI VKNGGVAVAD YNNVLDGDKI VETAVKNFGT VHVIINNAGI DATA SEQUENCE LRDASMKKMT EKDYKLVIDV HLNGAFAVTK AAWPYFQKQK YGRIVNTSSP DATA SEQUENCE AGLYGNFGQA NYASAKSALL GFAETLAKEG AKYNIKANAI APLARSRMTE DATA SEQUENCE SIMPPPMLEK LGPEKVAPLV LYLSSAENEL TGQFFEVAAG FYAQIRWERS DATA SEQUENCE GGVLFKPDQS FTAEVVAKRF SEILDYDDSR KPEYLKNQYP FMLNDYATLT DATA SEQUENCE NEARKLPAND ASGAPTVSLK DKVVLITGAG AGLGKEYAKW FAKYGAKVVV DATA SEQUENCE NDFKDATKTV DEIKAAGGEA WPDQHDVAKD SEAIIKNVID KYGTIDILVN DATA SEQUENCE NAGILRDRSF AKMSKQEWDS VQQVHLIGTF NLSRLAWPYF VEKQFGRIIN DATA SEQUENCE ITSTSGIYGN FGQANYSSSK AGILGLSKTM AIEGAKNNIK VNIVAPHAET DATA SEQUENCE AMXXXXXXXX XKNLYHADQV APLLVYLGTD DVPVTGETFE IGGGWIGNTR DATA SEQUENCE WQRAKGAVSH DEHTTVEFIK EHLNEITDFT TDTENPKSTT ESSMAILSAV DATA SEQUENCE GG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.588 174.600 -0.021 0.000 1.055 2 S CA 0.000 58.187 58.200 -0.021 0.000 1.107 2 S CB 0.000 63.183 63.200 -0.028 0.000 0.593 3 P HA 0.484 nan 4.420 nan 0.000 0.277 3 P C -0.516 176.776 177.300 -0.014 0.000 1.276 3 P CA -0.574 62.528 63.100 0.003 0.000 0.788 3 P CB 0.113 31.830 31.700 0.027 0.000 1.114 4 V N 1.070 120.989 119.914 0.008 0.000 2.521 4 V HA 0.005 4.126 4.120 0.002 0.000 0.286 4 V C 0.598 176.604 176.094 -0.147 0.000 1.034 4 V CA 0.158 62.416 62.300 -0.071 0.000 1.045 4 V CB -0.027 31.802 31.823 0.010 0.000 0.974 4 V HN 0.657 nan 8.190 nan 0.000 0.480 5 D N 3.172 123.370 120.400 -0.336 0.000 2.175 5 D HA 0.454 5.096 4.640 0.002 0.000 0.248 5 D C -0.164 175.778 176.300 -0.597 0.000 1.047 5 D CA -0.208 53.623 54.000 -0.281 0.000 0.883 5 D CB 0.978 41.655 40.800 -0.205 0.000 1.180 5 D HN 0.369 nan 8.370 nan 0.000 0.438 6 F N 1.028 120.961 119.950 -0.028 0.000 2.880 6 F HA 0.244 4.772 4.527 0.002 0.000 0.328 6 F C 0.286 176.053 175.800 -0.054 0.000 1.146 6 F CA -0.772 57.221 58.000 -0.011 0.000 1.135 6 F CB 0.286 39.340 39.000 0.091 0.000 1.151 6 F HN 0.156 nan 8.300 nan 0.000 0.523 7 K N 1.546 121.978 120.400 0.052 0.000 2.472 7 K HA 0.050 4.371 4.320 0.002 0.000 0.280 7 K C 0.304 176.867 176.600 -0.061 0.000 1.028 7 K CA 0.779 57.069 56.287 0.004 0.000 1.045 7 K CB -0.134 32.353 32.500 -0.021 0.000 0.902 7 K HN 0.206 nan 8.250 nan 0.000 0.478 8 D N 1.787 122.150 120.400 -0.060 0.000 3.076 8 D HA -0.174 4.467 4.640 0.002 0.000 0.218 8 D C -0.856 175.348 176.300 -0.160 0.000 1.156 8 D CA 0.975 54.917 54.000 -0.097 0.000 0.921 8 D CB -0.426 40.328 40.800 -0.075 0.000 1.113 8 D HN 0.497 nan 8.370 nan 0.000 0.418 9 K N 0.456 120.754 120.400 -0.170 0.000 2.297 9 K HA 0.393 4.714 4.320 0.002 0.000 0.286 9 K C 0.156 176.697 176.600 -0.099 0.000 1.053 9 K CA -0.474 55.661 56.287 -0.252 0.000 0.940 9 K CB 1.437 33.857 32.500 -0.133 0.000 1.019 9 K HN -0.068 nan 8.250 nan 0.000 0.475 10 V N 3.838 123.820 119.914 0.113 0.000 2.455 10 V HA 0.185 4.307 4.120 0.002 0.000 0.273 10 V C 0.139 176.240 176.094 0.011 0.000 1.045 10 V CA -0.667 61.638 62.300 0.008 0.000 0.976 10 V CB 1.155 33.051 31.823 0.121 0.000 0.993 10 V HN 0.348 nan 8.190 nan 0.000 0.475 11 V N 6.759 126.596 119.914 -0.129 0.000 2.447 11 V HA 0.457 4.578 4.120 0.002 0.000 0.292 11 V C -0.251 175.761 176.094 -0.136 0.000 1.021 11 V CA -0.391 61.789 62.300 -0.200 0.000 0.850 11 V CB 1.753 33.247 31.823 -0.549 0.000 1.005 11 V HN 0.688 nan 8.190 nan 0.000 0.426 12 I N 5.906 126.440 120.570 -0.059 0.000 2.342 12 I HA 0.463 4.634 4.170 0.002 0.000 0.291 12 I C -0.463 175.652 176.117 -0.003 0.000 1.010 12 I CA -0.136 61.153 61.300 -0.018 0.000 1.308 12 I CB 1.136 39.135 38.000 -0.002 0.000 1.400 12 I HN 0.450 nan 8.210 nan 0.000 0.488 13 I N 5.802 126.388 120.570 0.026 0.000 2.411 13 I HA 0.208 4.379 4.170 0.002 0.000 0.284 13 I C 0.406 176.571 176.117 0.081 0.000 1.012 13 I CA -0.560 60.793 61.300 0.088 0.000 1.119 13 I CB 1.780 39.869 38.000 0.149 0.000 1.261 13 I HN 0.562 nan 8.210 nan 0.000 0.448 14 T N 1.480 116.084 114.554 0.083 0.000 2.913 14 T HA 0.440 4.792 4.350 0.002 0.000 0.297 14 T C 1.084 175.825 174.700 0.068 0.000 1.029 14 T CA 0.106 62.243 62.100 0.061 0.000 1.104 14 T CB 1.454 70.353 68.868 0.051 0.000 0.964 14 T HN 1.052 nan 8.240 nan 0.000 0.532 15 G N 1.130 109.958 108.800 0.047 0.000 2.323 15 G HA2 -0.021 3.941 3.960 0.002 0.000 0.292 15 G HA3 -0.021 3.941 3.960 0.002 0.000 0.292 15 G C 0.591 175.520 174.900 0.048 0.000 1.040 15 G CA -0.019 45.105 45.100 0.040 0.000 0.942 15 G HN 1.569 nan 8.290 nan 0.000 0.506 16 A N -0.526 122.327 122.820 0.056 0.000 2.379 16 A HA 0.626 4.948 4.320 0.002 0.000 0.236 16 A C 2.180 179.792 177.584 0.048 0.000 1.272 16 A CA 1.423 53.496 52.037 0.059 0.000 0.886 16 A CB 0.035 19.082 19.000 0.077 0.000 0.962 16 A HN 1.417 nan 8.150 nan 0.000 0.504 17 G N -0.695 108.132 108.800 0.044 0.000 2.572 17 G HA2 0.403 4.364 3.960 0.002 0.000 0.216 17 G HA3 0.403 4.364 3.960 0.002 0.000 0.216 17 G C 0.663 175.581 174.900 0.031 0.000 1.133 17 G CA 0.821 45.947 45.100 0.043 0.000 0.791 17 G HN 0.949 nan 8.290 nan 0.000 0.538 18 G N -2.874 105.939 108.800 0.021 0.000 2.600 18 G HA2 0.595 4.556 3.960 0.002 0.000 0.293 18 G HA3 0.595 4.556 3.960 0.002 0.000 0.293 18 G C 0.391 175.288 174.900 -0.005 0.000 1.408 18 G CA 0.215 45.323 45.100 0.013 0.000 0.782 18 G HN 1.229 nan 8.290 nan 0.000 0.482 19 G N -0.863 107.932 108.800 -0.008 0.000 2.594 19 G HA2 -0.220 3.741 3.960 0.002 0.000 0.297 19 G HA3 -0.220 3.741 3.960 0.002 0.000 0.297 19 G C 1.385 176.228 174.900 -0.095 0.000 1.273 19 G CA 0.722 45.800 45.100 -0.037 0.000 0.974 19 G HN 1.365 nan 8.290 nan 0.000 0.552 20 L N 1.029 122.149 121.223 -0.172 0.000 2.013 20 L HA -0.060 4.282 4.340 0.002 0.000 0.212 20 L C 3.372 179.818 176.870 -0.705 0.000 1.073 20 L CA 2.312 56.888 54.840 -0.439 0.000 0.753 20 L CB -1.007 40.848 42.059 -0.339 0.000 0.890 20 L HN 0.810 nan 8.230 nan 0.000 0.432 21 G N -0.313 108.293 108.800 -0.323 0.000 2.442 21 G HA2 -0.315 3.647 3.960 0.002 0.000 0.219 21 G HA3 -0.315 3.647 3.960 0.002 0.000 0.219 21 G C 1.688 176.576 174.900 -0.021 0.000 1.141 21 G CA 1.021 46.054 45.100 -0.111 0.000 0.763 21 G HN 0.355 nan 8.290 nan 0.000 0.554 22 K N -0.886 119.500 120.400 -0.024 0.000 2.062 22 K HA -0.085 4.237 4.320 0.002 0.000 0.205 22 K C 2.145 178.771 176.600 0.044 0.000 1.051 22 K CA 0.796 57.099 56.287 0.027 0.000 0.941 22 K CB -0.336 32.181 32.500 0.027 0.000 0.719 22 K HN 0.345 nan 8.250 nan 0.000 0.440 23 Y N 0.477 120.711 120.300 -0.110 0.000 2.145 23 Y HA -0.296 4.255 4.550 0.002 0.000 0.286 23 Y C 1.859 177.783 175.900 0.040 0.000 1.145 23 Y CA 1.891 59.950 58.100 -0.067 0.000 1.148 23 Y CB -0.226 38.163 38.460 -0.118 0.000 0.981 23 Y HN 0.097 nan 8.280 nan 0.000 0.507 24 Y N -0.523 119.926 120.300 0.247 0.000 2.207 24 Y HA -0.254 4.298 4.550 0.002 0.000 0.287 24 Y C 2.748 178.778 175.900 0.217 0.000 1.156 24 Y CA 1.181 59.406 58.100 0.209 0.000 1.182 24 Y CB -1.396 37.250 38.460 0.309 0.000 0.979 24 Y HN 0.072 nan 8.280 nan 0.000 0.521 25 S N 0.168 116.046 115.700 0.297 0.000 2.368 25 S HA -0.162 4.309 4.470 0.002 0.000 0.225 25 S C 2.171 176.833 174.600 0.103 0.000 1.030 25 S CA 1.358 59.676 58.200 0.196 0.000 0.999 25 S CB -0.677 62.589 63.200 0.110 0.000 0.844 25 S HN 0.370 nan 8.310 nan 0.000 0.459 26 L N 1.212 122.435 121.223 -0.001 0.000 2.056 26 L HA -0.057 4.284 4.340 0.002 0.000 0.207 26 L C 2.672 179.467 176.870 -0.124 0.000 1.078 26 L CA 0.976 55.758 54.840 -0.096 0.000 0.749 26 L CB -0.452 41.481 42.059 -0.210 0.000 0.901 26 L HN 0.186 nan 8.230 nan 0.000 0.433 27 E N -0.235 119.865 120.200 -0.166 0.000 2.107 27 E HA -0.150 4.201 4.350 0.002 0.000 0.191 27 E C 2.189 178.651 176.600 -0.230 0.000 0.982 27 E CA 1.236 57.508 56.400 -0.213 0.000 0.809 27 E CB -0.202 29.365 29.700 -0.222 0.000 0.756 27 E HN 0.427 nan 8.360 nan 0.000 0.459 28 F N 1.096 120.946 119.950 -0.166 0.000 2.113 28 F HA -0.125 4.403 4.527 0.002 0.000 0.297 28 F C 2.458 178.153 175.800 -0.174 0.000 1.103 28 F CA 1.063 58.913 58.000 -0.249 0.000 1.248 28 F CB -0.103 38.793 39.000 -0.173 0.000 0.999 28 F HN 0.005 nan 8.300 nan 0.000 0.475 29 A N -0.465 122.404 122.820 0.083 0.000 2.014 29 A HA -0.148 4.173 4.320 0.002 0.000 0.218 29 A C 2.087 179.668 177.584 -0.004 0.000 1.163 29 A CA 1.166 53.217 52.037 0.024 0.000 0.652 29 A CB -0.503 18.504 19.000 0.011 0.000 0.808 29 A HN 0.274 nan 8.150 nan 0.000 0.449 30 K N -0.405 119.976 120.400 -0.031 0.000 2.147 30 K HA 0.000 4.322 4.320 0.002 0.000 0.205 30 K C 0.990 177.582 176.600 -0.014 0.000 1.049 30 K CA 1.062 57.328 56.287 -0.035 0.000 0.936 30 K CB -0.238 32.225 32.500 -0.062 0.000 0.722 30 K HN 0.488 nan 8.250 nan 0.000 0.446 31 L N -0.280 120.933 121.223 -0.017 0.000 2.629 31 L HA 0.154 4.495 4.340 0.002 0.000 0.230 31 L C 0.853 177.779 176.870 0.092 0.000 1.151 31 L CA 0.188 55.054 54.840 0.042 0.000 0.924 31 L CB 0.247 42.317 42.059 0.019 0.000 1.137 31 L HN 0.387 nan 8.230 nan 0.000 0.457 32 G N 0.101 108.930 108.800 0.049 0.000 2.141 32 G HA2 -0.218 3.743 3.960 0.002 0.000 0.231 32 G HA3 -0.218 3.743 3.960 0.002 0.000 0.231 32 G C 0.336 175.249 174.900 0.021 0.000 0.984 32 G CA -0.041 45.079 45.100 0.034 0.000 0.660 32 G HN 0.485 nan 8.290 nan 0.000 0.525 33 A N -0.105 122.739 122.820 0.040 0.000 2.304 33 A HA 0.702 5.023 4.320 0.002 0.000 0.271 33 A C 0.488 177.998 177.584 -0.122 0.000 1.091 33 A CA -0.022 52.012 52.037 -0.005 0.000 0.812 33 A CB 0.493 19.535 19.000 0.069 0.000 1.056 33 A HN 0.367 nan 8.150 nan 0.000 0.489 34 K N 1.337 121.580 120.400 -0.262 0.000 2.292 34 K HA 0.452 4.773 4.320 0.002 0.000 0.270 34 K C -1.295 175.028 176.600 -0.462 0.000 1.062 34 K CA -0.382 55.590 56.287 -0.524 0.000 0.916 34 K CB 1.462 33.355 32.500 -1.012 0.000 1.166 34 K HN 0.374 nan 8.250 nan 0.000 0.458 35 V N 3.520 123.277 119.914 -0.261 0.000 2.407 35 V HA 0.145 4.266 4.120 0.002 0.000 0.278 35 V C 0.185 176.276 176.094 -0.005 0.000 1.037 35 V CA -0.978 61.248 62.300 -0.124 0.000 0.900 35 V CB 1.557 33.357 31.823 -0.038 0.000 0.983 35 V HN 0.424 nan 8.190 nan 0.000 0.459 36 V N 6.037 125.967 119.914 0.027 0.000 2.353 36 V HA 0.181 4.302 4.120 0.002 0.000 0.264 36 V C 0.192 176.302 176.094 0.028 0.000 1.049 36 V CA -0.353 61.990 62.300 0.073 0.000 0.896 36 V CB 1.310 33.177 31.823 0.073 0.000 1.025 36 V HN 0.639 nan 8.190 nan 0.000 0.475 37 V N 5.468 125.399 119.914 0.027 0.000 2.339 37 V HA 0.199 4.320 4.120 0.002 0.000 0.261 37 V C 0.373 176.470 176.094 0.005 0.000 1.058 37 V CA -0.336 61.981 62.300 0.029 0.000 0.897 37 V CB 0.663 32.510 31.823 0.040 0.000 1.052 37 V HN 0.947 nan 8.190 nan 0.000 0.480 38 N N 3.953 122.663 118.700 0.015 0.000 2.426 38 N HA 0.353 5.095 4.740 0.002 0.000 0.275 38 N C -1.105 174.431 175.510 0.044 0.000 1.019 38 N CA -0.296 52.760 53.050 0.010 0.000 0.941 38 N CB 1.103 39.592 38.487 0.004 0.000 1.123 38 N HN 0.677 nan 8.380 nan 0.000 0.486 39 D N 3.405 123.847 120.400 0.071 0.000 2.931 39 D HA 0.137 4.778 4.640 0.002 0.000 0.215 39 D C -0.865 175.507 176.300 0.120 0.000 1.297 39 D CA -0.518 53.533 54.000 0.085 0.000 0.892 39 D CB 1.520 42.370 40.800 0.082 0.000 1.642 39 D HN 0.396 nan 8.370 nan 0.000 0.560 53 A N 1.416 124.258 122.820 0.036 0.000 1.902 53 A HA 0.167 4.489 4.320 0.002 0.000 0.217 53 A C 2.284 179.916 177.584 0.080 0.000 1.181 53 A CA 2.391 54.458 52.037 0.051 0.000 0.623 53 A CB -0.986 18.042 19.000 0.046 0.000 0.818 53 A HN 0.528 nan 8.150 nan 0.000 0.443 54 A N -0.145 122.755 122.820 0.135 0.000 1.930 54 A HA -0.139 4.182 4.320 0.002 0.000 0.217 54 A C 1.769 179.437 177.584 0.140 0.000 1.175 54 A CA 1.742 53.867 52.037 0.146 0.000 0.627 54 A CB -0.523 18.596 19.000 0.198 0.000 0.815 54 A HN 0.436 nan 8.150 nan 0.000 0.443 55 D N -0.117 120.390 120.400 0.180 0.000 2.123 55 D HA -0.122 4.519 4.640 0.002 0.000 0.196 55 D C 2.067 178.414 176.300 0.077 0.000 0.992 55 D CA 1.464 55.545 54.000 0.135 0.000 0.833 55 D CB -0.400 40.468 40.800 0.114 0.000 0.954 55 D HN 0.203 nan 8.370 nan 0.000 0.455 56 V N 0.609 120.560 119.914 0.060 0.000 2.343 56 V HA -0.214 3.907 4.120 0.002 0.000 0.247 56 V C 2.643 178.758 176.094 0.036 0.000 1.051 56 V CA 1.089 63.413 62.300 0.039 0.000 1.036 56 V CB -0.401 31.440 31.823 0.030 0.000 0.654 56 V HN 0.064 nan 8.190 nan 0.000 0.451 57 V N -0.537 119.403 119.914 0.042 0.000 2.358 57 V HA -0.191 3.931 4.120 0.002 0.000 0.246 57 V C 2.391 178.507 176.094 0.036 0.000 1.047 57 V CA 1.718 64.039 62.300 0.035 0.000 1.035 57 V CB -0.354 31.494 31.823 0.041 0.000 0.658 57 V HN 0.409 nan 8.190 nan 0.000 0.452 58 V N 0.272 120.215 119.914 0.049 0.000 2.490 58 V HA -0.228 3.893 4.120 0.002 0.000 0.250 58 V C 2.242 178.361 176.094 0.041 0.000 1.061 58 V CA 1.996 64.326 62.300 0.049 0.000 1.064 58 V CB -0.663 31.196 31.823 0.061 0.000 0.670 58 V HN 0.564 nan 8.190 nan 0.000 0.461 59 D N -0.033 120.389 120.400 0.038 0.000 2.097 59 D HA -0.146 4.495 4.640 0.002 0.000 0.197 59 D C 2.214 178.525 176.300 0.018 0.000 0.984 59 D CA 1.198 55.215 54.000 0.029 0.000 0.826 59 D CB -0.172 40.644 40.800 0.027 0.000 0.973 59 D HN 0.537 nan 8.370 nan 0.000 0.460 60 E N 0.259 120.467 120.200 0.013 0.000 2.085 60 E HA -0.143 4.209 4.350 0.002 0.000 0.194 60 E C 2.332 178.931 176.600 -0.001 0.000 0.994 60 E CA 0.511 56.912 56.400 0.002 0.000 0.801 60 E CB -0.049 29.647 29.700 -0.006 0.000 0.743 60 E HN 0.303 nan 8.360 nan 0.000 0.453 61 I N 0.466 121.039 120.570 0.005 0.000 2.142 61 I HA -0.268 3.903 4.170 0.002 0.000 0.240 61 I C 2.366 178.489 176.117 0.009 0.000 1.078 61 I CA 0.910 62.213 61.300 0.004 0.000 1.343 61 I CB -0.177 37.832 38.000 0.015 0.000 1.046 61 I HN -0.010 nan 8.210 nan 0.000 0.405 62 V N 0.826 120.751 119.914 0.019 0.000 2.407 62 V HA -0.290 3.831 4.120 0.002 0.000 0.248 62 V C 2.502 178.604 176.094 0.014 0.000 1.055 62 V CA 1.716 64.029 62.300 0.021 0.000 1.049 62 V CB -0.692 31.148 31.823 0.029 0.000 0.662 62 V HN 0.402 nan 8.190 nan 0.000 0.455 63 K N 0.595 121.001 120.400 0.010 0.000 2.097 63 K HA -0.157 4.164 4.320 0.002 0.000 0.206 63 K C 1.109 177.710 176.600 0.001 0.000 1.049 63 K CA 1.796 58.086 56.287 0.005 0.000 0.933 63 K CB -0.224 32.278 32.500 0.004 0.000 0.717 63 K HN 0.568 nan 8.250 nan 0.000 0.442 64 N N -0.442 118.256 118.700 -0.003 0.000 2.378 64 N HA 0.091 4.832 4.740 0.002 0.000 0.243 64 N C -0.032 175.474 175.510 -0.006 0.000 1.137 64 N CA 0.229 53.273 53.050 -0.009 0.000 0.862 64 N CB 0.872 39.348 38.487 -0.019 0.000 1.116 64 N HN 0.357 nan 8.380 nan 0.000 0.499 65 G N -0.163 108.637 108.800 0.000 0.000 2.143 65 G HA2 -0.221 3.740 3.960 0.002 0.000 0.249 65 G HA3 -0.221 3.740 3.960 0.002 0.000 0.249 65 G C 0.348 175.250 174.900 0.004 0.000 0.981 65 G CA -0.079 45.023 45.100 0.002 0.000 0.665 65 G HN 0.527 nan 8.290 nan 0.000 0.528 66 G N -1.687 107.115 108.800 0.005 0.000 2.705 66 G HA2 0.735 4.696 3.960 0.002 0.000 0.299 66 G HA3 0.735 4.696 3.960 0.002 0.000 0.299 66 G C -0.629 174.280 174.900 0.015 0.000 1.315 66 G CA -0.167 44.935 45.100 0.004 0.000 1.045 66 G HN 0.946 nan 8.290 nan 0.000 0.517 67 V N 0.264 120.180 119.914 0.003 0.000 2.409 67 V HA 0.759 4.880 4.120 0.002 0.000 0.291 67 V C 0.177 176.276 176.094 0.008 0.000 1.020 67 V CA -0.280 62.032 62.300 0.019 0.000 0.848 67 V CB 0.588 32.397 31.823 -0.023 0.000 0.990 67 V HN 1.241 nan 8.190 nan 0.000 0.430 68 A N 4.139 127.019 122.820 0.100 0.000 2.604 68 A HA 0.888 5.209 4.320 0.002 0.000 0.295 68 A C -1.620 176.085 177.584 0.203 0.000 1.067 68 A CA -0.570 51.543 52.037 0.128 0.000 0.683 68 A CB 2.213 21.253 19.000 0.066 0.000 1.281 68 A HN 0.936 nan 8.150 nan 0.000 0.407 69 V N 0.750 120.796 119.914 0.220 0.000 2.823 69 V HA 0.840 4.961 4.120 0.002 0.000 0.312 69 V C 0.324 176.424 176.094 0.011 0.000 1.072 69 V CA 0.034 62.388 62.300 0.090 0.000 0.937 69 V CB 1.849 33.680 31.823 0.014 0.000 1.013 69 V HN 2.008 nan 8.190 nan 0.000 0.430 70 A N 3.901 126.678 122.820 -0.072 0.000 2.302 70 A HA 0.668 4.990 4.320 0.002 0.000 0.285 70 A C -0.408 176.920 177.584 -0.426 0.000 1.105 70 A CA -0.292 51.636 52.037 -0.183 0.000 0.816 70 A CB 0.605 19.541 19.000 -0.106 0.000 1.067 70 A HN 0.913 nan 8.150 nan 0.000 0.489 71 D N 0.540 120.675 120.400 -0.443 0.000 2.896 71 D HA 0.340 4.981 4.640 0.002 0.000 0.241 71 D C -0.948 175.133 176.300 -0.365 0.000 1.188 71 D CA -0.206 53.504 54.000 -0.483 0.000 0.879 71 D CB 1.152 41.829 40.800 -0.205 0.000 1.553 71 D HN 0.553 nan 8.370 nan 0.000 0.515 72 Y N 1.281 121.582 120.300 0.002 0.000 2.458 72 Y HA 0.191 4.742 4.550 0.002 0.000 0.256 72 Y C 1.190 177.090 175.900 0.001 0.000 1.159 72 Y CA -0.754 57.347 58.100 0.002 0.000 1.261 72 Y CB 0.422 38.883 38.460 0.000 0.000 1.119 72 Y HN 0.129 nan 8.280 nan 0.000 0.524 73 N N 1.766 120.513 118.700 0.079 0.000 2.482 73 N HA -0.048 4.693 4.740 0.002 0.000 0.260 73 N C -0.561 174.974 175.510 0.043 0.000 1.236 73 N CA -0.135 52.946 53.050 0.052 0.000 0.938 73 N CB 0.527 39.021 38.487 0.011 0.000 1.128 73 N HN 0.295 nan 8.380 nan 0.000 0.448 74 N N -0.094 118.627 118.700 0.036 0.000 2.458 74 N HA -0.046 4.695 4.740 0.002 0.000 0.258 74 N C 1.553 177.072 175.510 0.015 0.000 1.219 74 N CA -0.356 52.710 53.050 0.026 0.000 0.902 74 N CB 0.779 39.282 38.487 0.026 0.000 1.076 74 N HN 0.354 nan 8.380 nan 0.000 0.455 75 V N 2.404 122.325 119.914 0.012 0.000 2.867 75 V HA -0.157 3.964 4.120 0.002 0.000 0.260 75 V C 1.669 177.766 176.094 0.005 0.000 1.099 75 V CA 1.348 63.652 62.300 0.006 0.000 1.122 75 V CB -0.930 30.896 31.823 0.006 0.000 0.708 75 V HN 0.673 nan 8.190 nan 0.000 0.490 76 L N -0.065 121.166 121.223 0.014 0.000 2.141 76 L HA -0.013 4.328 4.340 0.002 0.000 0.209 76 L C 1.394 178.265 176.870 0.002 0.000 1.094 76 L CA 1.262 56.114 54.840 0.020 0.000 0.763 76 L CB -0.520 41.560 42.059 0.034 0.000 0.908 76 L HN 0.332 nan 8.230 nan 0.000 0.437 77 D N 0.605 121.004 120.400 -0.002 0.000 3.008 77 D HA 0.050 4.691 4.640 0.002 0.000 0.242 77 D C 1.550 177.830 176.300 -0.034 0.000 1.222 77 D CA 0.294 54.286 54.000 -0.014 0.000 0.883 77 D CB 0.486 41.284 40.800 -0.003 0.000 1.110 77 D HN 0.212 nan 8.370 nan 0.000 0.455 78 G N 1.650 110.418 108.800 -0.054 0.000 2.450 78 G HA2 -0.292 3.670 3.960 0.002 0.000 0.220 78 G HA3 -0.292 3.670 3.960 0.002 0.000 0.220 78 G C 1.365 176.214 174.900 -0.085 0.000 1.130 78 G CA 0.690 45.744 45.100 -0.077 0.000 0.760 78 G HN 0.345 nan 8.290 nan 0.000 0.557 79 D N 1.246 121.596 120.400 -0.083 0.000 2.123 79 D HA -0.139 4.503 4.640 0.002 0.000 0.196 79 D C 2.029 178.297 176.300 -0.052 0.000 0.992 79 D CA 1.113 55.073 54.000 -0.067 0.000 0.833 79 D CB -0.504 40.262 40.800 -0.056 0.000 0.954 79 D HN 0.302 nan 8.370 nan 0.000 0.455 80 K N 0.044 120.416 120.400 -0.046 0.000 2.155 80 K HA 0.038 4.360 4.320 0.002 0.000 0.203 80 K C 2.520 179.084 176.600 -0.060 0.000 1.052 80 K CA 0.491 56.752 56.287 -0.045 0.000 0.948 80 K CB 0.057 32.539 32.500 -0.030 0.000 0.728 80 K HN 0.258 nan 8.250 nan 0.000 0.448 81 I N 0.675 121.209 120.570 -0.060 0.000 2.142 81 I HA -0.267 3.904 4.170 0.002 0.000 0.240 81 I C 2.249 178.317 176.117 -0.082 0.000 1.078 81 I CA 1.100 62.360 61.300 -0.066 0.000 1.343 81 I CB -0.322 37.648 38.000 -0.050 0.000 1.046 81 I HN -0.123 nan 8.210 nan 0.000 0.405 82 V N 0.835 120.694 119.914 -0.092 0.000 2.490 82 V HA -0.282 3.839 4.120 0.002 0.000 0.250 82 V C 2.484 178.481 176.094 -0.162 0.000 1.061 82 V CA 2.021 64.240 62.300 -0.134 0.000 1.064 82 V CB -0.755 30.984 31.823 -0.140 0.000 0.670 82 V HN 0.525 nan 8.190 nan 0.000 0.461 83 E N 0.126 120.258 120.200 -0.114 0.000 2.160 83 E HA -0.249 4.103 4.350 0.002 0.000 0.195 83 E C 2.106 178.632 176.600 -0.124 0.000 0.991 83 E CA 1.888 58.225 56.400 -0.105 0.000 0.810 83 E CB -0.111 29.551 29.700 -0.063 0.000 0.742 83 E HN 0.621 nan 8.360 nan 0.000 0.466 84 T N 0.498 114.980 114.554 -0.119 0.000 2.737 84 T HA -0.088 4.263 4.350 0.002 0.000 0.265 84 T C 1.890 176.502 174.700 -0.146 0.000 1.038 84 T CA 1.379 63.397 62.100 -0.135 0.000 1.144 84 T CB -0.356 68.435 68.868 -0.128 0.000 0.866 84 T HN 0.377 nan 8.240 nan 0.000 0.434 85 A N 0.845 123.616 122.820 -0.083 0.000 1.917 85 A HA -0.090 4.231 4.320 0.002 0.000 0.219 85 A C 2.566 180.105 177.584 -0.074 0.000 1.182 85 A CA 1.557 53.605 52.037 0.018 0.000 0.633 85 A CB -1.016 17.989 19.000 0.010 0.000 0.819 85 A HN 0.366 nan 8.150 nan 0.000 0.448 86 V N -0.569 119.229 119.914 -0.193 0.000 2.346 86 V HA -0.193 3.928 4.120 0.002 0.000 0.244 86 V C 2.447 178.443 176.094 -0.162 0.000 1.037 86 V CA 2.226 64.389 62.300 -0.229 0.000 1.029 86 V CB -0.583 31.027 31.823 -0.354 0.000 0.663 86 V HN 0.574 nan 8.190 nan 0.000 0.454 87 K N 0.330 120.628 120.400 -0.170 0.000 2.044 87 K HA -0.209 4.112 4.320 0.002 0.000 0.210 87 K C 2.011 178.462 176.600 -0.248 0.000 1.049 87 K CA 2.048 58.233 56.287 -0.169 0.000 0.927 87 K CB -0.192 32.212 32.500 -0.161 0.000 0.713 87 K HN 0.451 nan 8.250 nan 0.000 0.443 88 N N -1.175 117.266 118.700 -0.431 0.000 2.333 88 N HA -0.027 4.714 4.740 0.002 0.000 0.178 88 N C 0.788 175.792 175.510 -0.843 0.000 1.018 88 N CA 1.064 53.633 53.050 -0.801 0.000 0.882 88 N CB 0.344 38.057 38.487 -1.291 0.000 0.984 88 N HN 0.180 nan 8.380 nan 0.000 0.434 89 F N -1.646 118.274 119.950 -0.049 0.000 2.856 89 F HA 0.321 4.850 4.527 0.002 0.000 0.338 89 F C 1.510 177.291 175.800 -0.032 0.000 1.100 89 F CA -0.072 57.911 58.000 -0.029 0.000 1.150 89 F CB 0.946 39.935 39.000 -0.018 0.000 1.101 89 F HN -0.053 nan 8.300 nan 0.000 0.548 90 G N 0.932 109.762 108.800 0.050 0.000 2.234 90 G HA2 -0.240 3.721 3.960 0.002 0.000 0.260 90 G HA3 -0.240 3.721 3.960 0.002 0.000 0.260 90 G C 0.310 175.192 174.900 -0.030 0.000 0.987 90 G CA 0.654 45.762 45.100 0.014 0.000 0.625 90 G HN 0.534 nan 8.290 nan 0.000 0.532 91 T N -2.485 112.031 114.554 -0.063 0.000 2.661 91 T HA 0.576 4.928 4.350 0.002 0.000 0.303 91 T C -1.785 172.808 174.700 -0.179 0.000 1.658 91 T CA 0.788 62.773 62.100 -0.191 0.000 0.974 91 T CB 1.294 70.090 68.868 -0.121 0.000 1.857 91 T HN 1.636 nan 8.240 nan 0.000 0.475 92 V N 1.516 121.311 119.914 -0.198 0.000 2.841 92 V HA 0.659 4.780 4.120 0.002 0.000 0.310 92 V C -0.416 175.746 176.094 0.113 0.000 1.090 92 V CA -0.196 62.090 62.300 -0.025 0.000 0.930 92 V CB 2.076 33.872 31.823 -0.044 0.000 1.014 92 V HN 1.048 nan 8.190 nan 0.000 0.425 93 H N 3.816 123.075 119.070 0.315 0.000 2.800 93 H HA 0.376 4.933 4.556 0.002 0.000 0.257 93 H C -0.207 175.148 175.328 0.046 0.000 0.967 93 H CA 0.601 56.788 56.048 0.231 0.000 1.192 93 H CB 1.726 31.610 29.762 0.202 0.000 1.441 93 H HN 0.399 nan 8.280 nan 0.000 0.461 94 V N 3.337 123.419 119.914 0.280 0.000 2.588 94 V HA 0.244 4.365 4.120 0.002 0.000 0.304 94 V C -0.465 175.749 176.094 0.200 0.000 1.042 94 V CA -0.685 61.704 62.300 0.149 0.000 0.877 94 V CB 2.784 34.584 31.823 -0.039 0.000 0.996 94 V HN 0.107 nan 8.190 nan 0.000 0.425 95 I N 5.636 126.362 120.570 0.260 0.000 2.378 95 I HA 0.444 4.615 4.170 0.002 0.000 0.291 95 I C -0.392 175.791 176.117 0.110 0.000 0.992 95 I CA -0.667 60.728 61.300 0.158 0.000 1.154 95 I CB 1.766 39.873 38.000 0.179 0.000 1.315 95 I HN 0.361 nan 8.210 nan 0.000 0.448 96 I N 6.007 126.624 120.570 0.078 0.000 2.337 96 I HA 0.211 4.383 4.170 0.002 0.000 0.285 96 I C 0.304 176.505 176.117 0.141 0.000 1.041 96 I CA -0.493 60.871 61.300 0.106 0.000 1.199 96 I CB 0.117 38.188 38.000 0.117 0.000 1.370 96 I HN 0.363 nan 8.210 nan 0.000 0.470 97 N N 5.032 123.821 118.700 0.147 0.000 2.466 97 N HA 0.013 4.755 4.740 0.002 0.000 0.263 97 N C 0.864 176.476 175.510 0.170 0.000 1.178 97 N CA 0.290 53.431 53.050 0.153 0.000 0.983 97 N CB 0.600 39.190 38.487 0.172 0.000 1.331 97 N HN 0.565 nan 8.380 nan 0.000 0.500 98 N N 1.175 119.972 118.700 0.162 0.000 2.382 98 N HA 0.081 4.822 4.740 0.002 0.000 0.200 98 N C 0.007 175.574 175.510 0.095 0.000 1.122 98 N CA -0.226 52.929 53.050 0.176 0.000 0.870 98 N CB 0.307 38.940 38.487 0.244 0.000 1.176 98 N HN 0.370 nan 8.380 nan 0.000 0.474 99 A N 0.083 122.929 122.820 0.044 0.000 2.567 99 A HA 0.491 4.813 4.320 0.002 0.000 0.240 99 A C 0.707 178.184 177.584 -0.179 0.000 1.053 99 A CA 0.816 52.835 52.037 -0.029 0.000 0.755 99 A CB -0.518 18.466 19.000 -0.026 0.000 0.978 99 A HN 0.462 nan 8.150 nan 0.000 0.507 100 G N -0.302 108.383 108.800 -0.191 0.000 2.870 100 G HA2 0.699 4.660 3.960 0.002 0.000 0.299 100 G HA3 0.699 4.660 3.960 0.002 0.000 0.299 100 G C -0.994 173.832 174.900 -0.123 0.000 1.324 100 G CA -0.067 44.792 45.100 -0.401 0.000 0.808 100 G HN 1.609 nan 8.290 nan 0.000 0.535 101 I N -1.464 119.176 120.570 0.117 0.000 2.624 101 I HA 0.365 4.537 4.170 0.002 0.000 0.293 101 I C -2.200 174.071 176.117 0.258 0.000 1.774 101 I CA -0.655 60.736 61.300 0.150 0.000 1.013 101 I CB 1.505 39.549 38.000 0.073 0.000 1.557 101 I HN 0.512 nan 8.210 nan 0.000 0.509 102 L N 7.041 128.324 121.223 0.101 0.000 2.346 102 L HA 0.714 5.055 4.340 0.002 0.000 0.276 102 L C -0.454 176.424 176.870 0.013 0.000 1.006 102 L CA -0.408 54.442 54.840 0.018 0.000 0.817 102 L CB 1.553 43.564 42.059 -0.080 0.000 1.272 102 L HN 0.473 nan 8.230 nan 0.000 0.421 103 R N 1.928 122.430 120.500 0.002 0.000 2.655 103 R HA 0.257 4.599 4.340 0.002 0.000 0.261 103 R C -1.199 175.097 176.300 -0.006 0.000 1.624 103 R CA -0.800 55.303 56.100 0.004 0.000 1.655 103 R CB 0.513 30.822 30.300 0.015 0.000 1.356 103 R HN 0.518 nan 8.270 nan 0.000 0.684 104 D N 1.648 122.037 120.400 -0.018 0.000 2.425 104 D HA 0.383 5.025 4.640 0.002 0.000 0.247 104 D C 0.015 176.323 176.300 0.012 0.000 1.147 104 D CA 0.633 54.626 54.000 -0.011 0.000 0.879 104 D CB 1.294 42.084 40.800 -0.017 0.000 1.179 104 D HN 0.432 nan 8.370 nan 0.000 0.456 105 A N 1.390 124.216 122.820 0.010 0.000 2.577 105 A HA 0.510 4.831 4.320 0.002 0.000 0.297 105 A C 0.068 177.628 177.584 -0.041 0.000 1.060 105 A CA -0.811 51.233 52.037 0.013 0.000 0.697 105 A CB 0.934 19.946 19.000 0.020 0.000 1.281 105 A HN 0.476 nan 8.150 nan 0.000 0.402 106 S N 2.057 117.722 115.700 -0.057 0.000 2.572 106 S HA 0.177 4.648 4.470 0.002 0.000 0.267 106 S C 1.217 175.689 174.600 -0.214 0.000 1.361 106 S CA 0.099 58.168 58.200 -0.218 0.000 1.009 106 S CB 0.096 63.227 63.200 -0.115 0.000 0.888 106 S HN 0.641 nan 8.310 nan 0.000 0.553 107 M N 1.098 120.464 119.600 -0.391 0.000 2.358 107 M HA -0.054 4.427 4.480 0.002 0.000 0.264 107 M C 1.867 177.919 176.300 -0.414 0.000 1.064 107 M CA 1.532 56.489 55.300 -0.572 0.000 1.093 107 M CB -1.373 30.394 32.600 -1.388 0.000 1.401 107 M HN 0.764 nan 8.290 nan 0.000 0.440 108 K N 0.233 120.533 120.400 -0.168 0.000 2.057 108 K HA -0.129 4.192 4.320 0.002 0.000 0.206 108 K C 1.845 178.442 176.600 -0.005 0.000 1.050 108 K CA 1.148 57.440 56.287 0.010 0.000 0.935 108 K CB 0.082 32.644 32.500 0.103 0.000 0.715 108 K HN 0.359 nan 8.250 nan 0.000 0.439 109 K N -0.134 120.261 120.400 -0.009 0.000 2.335 109 K HA 0.146 4.467 4.320 0.002 0.000 0.195 109 K C 0.672 177.288 176.600 0.027 0.000 1.058 109 K CA -0.175 56.122 56.287 0.016 0.000 0.988 109 K CB 0.302 32.819 32.500 0.029 0.000 0.880 109 K HN 0.030 nan 8.250 nan 0.000 0.513 110 M N 3.088 122.707 119.600 0.031 0.000 2.269 110 M HA -0.019 4.462 4.480 0.002 0.000 0.350 110 M C 0.036 176.428 176.300 0.153 0.000 1.429 110 M CA 0.343 55.700 55.300 0.096 0.000 1.063 110 M CB 0.577 33.258 32.600 0.136 0.000 1.841 110 M HN 0.149 nan 8.290 nan 0.000 0.455 111 T N 0.826 115.464 114.554 0.141 0.000 2.881 111 T HA 0.284 4.635 4.350 0.002 0.000 0.278 111 T C 0.770 175.618 174.700 0.246 0.000 0.982 111 T CA -0.731 61.458 62.100 0.148 0.000 0.989 111 T CB 0.965 69.889 68.868 0.093 0.000 1.058 111 T HN 0.771 nan 8.240 nan 0.000 0.529 112 E N 0.101 120.437 120.200 0.226 0.000 2.110 112 E HA -0.146 4.206 4.350 0.002 0.000 0.193 112 E C 2.060 178.783 176.600 0.206 0.000 0.988 112 E CA 1.082 57.645 56.400 0.273 0.000 0.804 112 E CB -0.045 29.756 29.700 0.168 0.000 0.745 112 E HN 0.602 nan 8.360 nan 0.000 0.458 113 K N 0.424 120.906 120.400 0.136 0.000 2.116 113 K HA -0.105 4.216 4.320 0.002 0.000 0.203 113 K C 1.683 178.332 176.600 0.080 0.000 1.052 113 K CA 0.970 57.315 56.287 0.097 0.000 0.952 113 K CB 0.212 32.754 32.500 0.070 0.000 0.729 113 K HN 0.016 nan 8.250 nan 0.000 0.446 114 D N -0.242 120.208 120.400 0.083 0.000 2.149 114 D HA -0.212 4.430 4.640 0.002 0.000 0.198 114 D C 1.623 177.933 176.300 0.018 0.000 0.990 114 D CA 1.204 55.235 54.000 0.052 0.000 0.839 114 D CB -0.095 40.739 40.800 0.057 0.000 0.948 114 D HN 0.222 nan 8.370 nan 0.000 0.460 115 Y N 1.345 121.566 120.300 -0.130 0.000 2.153 115 Y HA -0.159 4.392 4.550 0.002 0.000 0.289 115 Y C 2.344 178.153 175.900 -0.153 0.000 1.127 115 Y CA 1.511 59.432 58.100 -0.297 0.000 1.131 115 Y CB 0.030 38.089 38.460 -0.668 0.000 0.995 115 Y HN -0.260 nan 8.280 nan 0.000 0.505 116 K N 0.475 120.899 120.400 0.041 0.000 2.057 116 K HA -0.142 4.179 4.320 0.002 0.000 0.206 116 K C 2.006 178.596 176.600 -0.018 0.000 1.050 116 K CA 1.434 57.732 56.287 0.019 0.000 0.935 116 K CB -1.003 31.555 32.500 0.097 0.000 0.715 116 K HN 0.359 nan 8.250 nan 0.000 0.439 117 L N 0.304 121.530 121.223 0.006 0.000 2.034 117 L HA -0.199 4.142 4.340 0.002 0.000 0.217 117 L C 1.985 178.864 176.870 0.014 0.000 1.077 117 L CA 1.815 56.664 54.840 0.014 0.000 0.769 117 L CB -0.743 41.331 42.059 0.025 0.000 0.890 117 L HN 0.094 nan 8.230 nan 0.000 0.435 118 V N -0.586 119.312 119.914 -0.027 0.000 2.453 118 V HA -0.216 3.906 4.120 0.002 0.000 0.247 118 V C 2.461 178.567 176.094 0.020 0.000 1.048 118 V CA 1.230 63.554 62.300 0.041 0.000 1.049 118 V CB -0.467 31.330 31.823 -0.043 0.000 0.672 118 V HN 0.372 nan 8.190 nan 0.000 0.457 119 I N 0.212 120.680 120.570 -0.170 0.000 2.286 119 I HA -0.185 3.986 4.170 0.002 0.000 0.248 119 I C 2.271 178.399 176.117 0.017 0.000 1.115 119 I CA 1.553 62.770 61.300 -0.138 0.000 1.392 119 I CB -1.166 36.689 38.000 -0.242 0.000 1.065 119 I HN 0.337 nan 8.210 nan 0.000 0.418 120 D N 0.561 120.978 120.400 0.028 0.000 2.097 120 D HA -0.105 4.536 4.640 0.002 0.000 0.197 120 D C 2.429 178.770 176.300 0.067 0.000 0.984 120 D CA 1.028 55.066 54.000 0.064 0.000 0.826 120 D CB 0.046 40.877 40.800 0.051 0.000 0.973 120 D HN 0.119 nan 8.370 nan 0.000 0.460 121 V N 0.798 120.743 119.914 0.052 0.000 2.346 121 V HA -0.158 3.964 4.120 0.002 0.000 0.244 121 V C 2.250 178.310 176.094 -0.056 0.000 1.037 121 V CA 1.320 63.607 62.300 -0.023 0.000 1.029 121 V CB -0.386 31.388 31.823 -0.081 0.000 0.663 121 V HN 0.312 nan 8.190 nan 0.000 0.454 122 H N -1.172 117.921 119.070 0.038 0.000 2.333 122 H HA -0.015 4.543 4.556 0.002 0.000 0.302 122 H C 2.041 177.409 175.328 0.067 0.000 1.075 122 H CA 1.916 57.989 56.048 0.042 0.000 1.348 122 H CB 0.329 30.085 29.762 -0.009 0.000 1.393 122 H HN 0.304 nan 8.280 nan 0.000 0.509 123 L N 0.764 122.099 121.223 0.186 0.000 2.347 123 L HA 0.081 4.422 4.340 0.002 0.000 0.196 123 L C 1.527 178.513 176.870 0.193 0.000 1.072 123 L CA 1.014 55.961 54.840 0.179 0.000 0.817 123 L CB -0.374 41.769 42.059 0.139 0.000 1.029 123 L HN -0.048 nan 8.230 nan 0.000 0.478 124 N N 0.288 119.105 118.700 0.194 0.000 2.459 124 N HA -0.024 4.717 4.740 0.002 0.000 0.181 124 N C 1.665 177.240 175.510 0.110 0.000 1.046 124 N CA 1.072 54.240 53.050 0.197 0.000 0.904 124 N CB -0.430 38.191 38.487 0.223 0.000 0.964 124 N HN 0.528 nan 8.380 nan 0.000 0.444 125 G N 0.434 109.287 108.800 0.088 0.000 2.396 125 G HA2 -0.069 3.892 3.960 0.002 0.000 0.214 125 G HA3 -0.069 3.892 3.960 0.002 0.000 0.214 125 G C 1.615 176.550 174.900 0.059 0.000 1.166 125 G CA 0.770 45.901 45.100 0.051 0.000 0.793 125 G HN 0.376 nan 8.290 nan 0.000 0.533 126 A N 0.492 123.383 122.820 0.118 0.000 1.933 126 A HA 0.043 4.364 4.320 0.002 0.000 0.218 126 A C 2.126 179.840 177.584 0.216 0.000 1.175 126 A CA 1.591 53.749 52.037 0.202 0.000 0.628 126 A CB -0.509 18.687 19.000 0.326 0.000 0.814 126 A HN 0.457 nan 8.150 nan 0.000 0.444 127 F N 0.900 120.773 119.950 -0.130 0.000 2.163 127 F HA 0.073 4.601 4.527 0.002 0.000 0.297 127 F C 2.409 178.065 175.800 -0.241 0.000 1.094 127 F CA 1.001 58.760 58.000 -0.401 0.000 1.290 127 F CB -0.505 37.665 39.000 -1.383 0.000 1.017 127 F HN 0.230 nan 8.300 nan 0.000 0.483 128 A N 0.132 122.765 122.820 -0.312 0.000 1.877 128 A HA -0.109 4.213 4.320 0.002 0.000 0.216 128 A C 2.307 179.721 177.584 -0.284 0.000 1.186 128 A CA 2.089 53.921 52.037 -0.342 0.000 0.620 128 A CB -1.385 17.546 19.000 -0.116 0.000 0.822 128 A HN 0.284 nan 8.150 nan 0.000 0.443 129 V N -0.319 119.508 119.914 -0.145 0.000 2.307 129 V HA -0.194 3.927 4.120 0.002 0.000 0.245 129 V C 2.758 178.787 176.094 -0.108 0.000 1.045 129 V CA 2.449 64.692 62.300 -0.095 0.000 1.024 129 V CB -1.140 30.671 31.823 -0.019 0.000 0.651 129 V HN 0.620 nan 8.190 nan 0.000 0.449 130 T N -0.407 114.121 114.554 -0.044 0.000 2.812 130 T HA -0.183 4.168 4.350 0.002 0.000 0.264 130 T C 1.961 176.646 174.700 -0.025 0.000 1.042 130 T CA 1.590 63.724 62.100 0.057 0.000 1.140 130 T CB -0.204 68.827 68.868 0.271 0.000 0.870 130 T HN 0.309 nan 8.240 nan 0.000 0.445 131 K N 2.149 122.342 120.400 -0.345 0.000 2.044 131 K HA -0.022 4.299 4.320 0.002 0.000 0.210 131 K C 2.232 178.610 176.600 -0.370 0.000 1.049 131 K CA 1.666 57.523 56.287 -0.716 0.000 0.927 131 K CB -0.775 31.000 32.500 -1.208 0.000 0.713 131 K HN 0.270 nan 8.250 nan 0.000 0.443 132 A N 0.110 122.761 122.820 -0.281 0.000 1.969 132 A HA 0.060 4.381 4.320 0.002 0.000 0.218 132 A C 2.295 179.839 177.584 -0.066 0.000 1.169 132 A CA 1.697 53.647 52.037 -0.146 0.000 0.635 132 A CB -0.815 18.109 19.000 -0.126 0.000 0.810 132 A HN 0.438 nan 8.150 nan 0.000 0.445 133 A N -1.588 121.125 122.820 -0.178 0.000 2.014 133 A HA -0.100 4.221 4.320 0.002 0.000 0.218 133 A C 2.005 179.296 177.584 -0.488 0.000 1.163 133 A CA 0.928 52.718 52.037 -0.412 0.000 0.652 133 A CB -0.762 17.802 19.000 -0.728 0.000 0.808 133 A HN 0.809 nan 8.150 nan 0.000 0.449 134 W N 1.705 122.745 121.300 -0.433 0.000 2.335 134 W HA -0.147 4.514 4.660 0.002 0.000 0.311 134 W C -1.098 175.292 176.519 -0.216 0.000 1.213 134 W CA 2.441 59.626 57.345 -0.267 0.000 1.274 134 W CB -0.926 28.416 29.460 -0.196 0.000 1.148 134 W HN 0.297 nan 8.180 nan 0.000 0.498 135 P HA -0.226 nan 4.420 nan 0.000 0.215 135 P C 1.031 178.117 177.300 -0.357 0.000 1.153 135 P CA 1.957 64.867 63.100 -0.316 0.000 0.853 135 P CB -0.613 30.824 31.700 -0.437 0.000 0.788 136 Y N -1.481 118.719 120.300 -0.168 0.000 2.220 136 Y HA -0.039 4.512 4.550 0.002 0.000 0.291 136 Y C 2.666 178.570 175.900 0.007 0.000 1.129 136 Y CA 0.902 58.944 58.100 -0.096 0.000 1.161 136 Y CB -1.246 37.148 38.460 -0.111 0.000 0.997 136 Y HN -0.149 nan 8.280 nan 0.000 0.522 137 F N 0.254 120.126 119.950 -0.131 0.000 2.126 137 F HA -0.339 4.189 4.527 0.002 0.000 0.299 137 F C 2.403 177.997 175.800 -0.343 0.000 1.096 137 F CA 1.030 58.871 58.000 -0.264 0.000 1.255 137 F CB -0.362 38.380 39.000 -0.431 0.000 0.997 137 F HN 0.166 nan 8.300 nan 0.000 0.479 138 Q N 0.242 119.841 119.800 -0.336 0.000 2.079 138 Q HA -0.225 4.116 4.340 0.002 0.000 0.200 138 Q C 2.146 178.075 176.000 -0.118 0.000 0.974 138 Q CA 1.281 56.801 55.803 -0.472 0.000 0.840 138 Q CB -0.183 28.110 28.738 -0.741 0.000 0.898 138 Q HN 0.373 nan 8.270 nan 0.000 0.430 139 K N 0.811 121.154 120.400 -0.094 0.000 2.062 139 K HA -0.162 4.159 4.320 0.002 0.000 0.205 139 K C 2.044 178.661 176.600 0.028 0.000 1.051 139 K CA 1.362 57.632 56.287 -0.028 0.000 0.941 139 K CB 0.128 32.594 32.500 -0.056 0.000 0.719 139 K HN 0.243 nan 8.250 nan 0.000 0.440 140 Q N 0.368 120.197 119.800 0.048 0.000 2.425 140 Q HA -0.008 4.333 4.340 0.002 0.000 0.204 140 Q C -0.465 175.590 176.000 0.093 0.000 0.933 140 Q CA 0.338 56.184 55.803 0.073 0.000 0.939 140 Q CB 0.154 28.944 28.738 0.087 0.000 1.044 140 Q HN 0.050 nan 8.270 nan 0.000 0.513 141 K N 0.074 120.530 120.400 0.094 0.000 3.150 141 K HA -0.242 4.079 4.320 0.002 0.000 0.267 141 K C -1.433 175.253 176.600 0.143 0.000 1.028 141 K CA 0.775 57.131 56.287 0.115 0.000 0.753 141 K CB -1.856 30.700 32.500 0.093 0.000 1.288 141 K HN 0.526 nan 8.250 nan 0.000 0.473 142 Y N -1.129 119.119 120.300 -0.087 0.000 2.474 142 Y HA 0.500 5.051 4.550 0.002 0.000 0.326 142 Y C -0.418 175.209 175.900 -0.454 0.000 1.160 142 Y CA 0.034 58.029 58.100 -0.176 0.000 1.056 142 Y CB 2.091 40.504 38.460 -0.078 0.000 1.330 142 Y HN 0.155 nan 8.280 nan 0.000 0.447 143 G N 4.568 112.564 108.800 -1.339 0.000 2.667 143 G HA2 0.645 4.607 3.960 0.002 0.000 0.294 143 G HA3 0.645 4.607 3.960 0.002 0.000 0.294 143 G C -2.334 171.810 174.900 -1.260 0.000 1.467 143 G CA -1.141 42.820 45.100 -1.898 0.000 0.852 143 G HN 0.416 nan 8.290 nan 0.000 0.521 144 R N 0.508 120.471 120.500 -0.895 0.000 2.510 144 R HA 0.468 4.809 4.340 0.002 0.000 0.294 144 R C -1.260 174.994 176.300 -0.077 0.000 1.056 144 R CA -0.605 55.273 56.100 -0.370 0.000 0.918 144 R CB 1.625 31.769 30.300 -0.260 0.000 1.187 144 R HN 0.521 nan 8.270 nan 0.000 0.437 145 I N 2.420 123.004 120.570 0.023 0.000 2.465 145 I HA 0.417 4.588 4.170 0.002 0.000 0.291 145 I C -0.243 175.931 176.117 0.095 0.000 1.014 145 I CA -1.045 60.329 61.300 0.124 0.000 1.093 145 I CB 2.410 40.513 38.000 0.171 0.000 1.267 145 I HN 0.070 nan 8.210 nan 0.000 0.431 146 V N 5.440 125.417 119.914 0.104 0.000 2.378 146 V HA 0.378 4.499 4.120 0.002 0.000 0.288 146 V C -0.398 175.774 176.094 0.131 0.000 1.016 146 V CA -0.777 61.590 62.300 0.111 0.000 0.840 146 V CB 1.407 33.278 31.823 0.080 0.000 0.994 146 V HN 0.595 nan 8.190 nan 0.000 0.431 147 N N 2.430 121.218 118.700 0.147 0.000 2.434 147 N HA 0.326 5.067 4.740 0.002 0.000 0.272 147 N C 0.041 175.645 175.510 0.158 0.000 1.040 147 N CA -0.172 52.975 53.050 0.162 0.000 0.956 147 N CB 1.473 40.063 38.487 0.171 0.000 1.108 147 N HN 0.591 nan 8.380 nan 0.000 0.481 148 T N 1.179 115.831 114.554 0.164 0.000 2.738 148 T HA 0.138 4.489 4.350 0.002 0.000 0.294 148 T C 0.898 175.659 174.700 0.102 0.000 0.914 148 T CA 0.035 62.230 62.100 0.158 0.000 1.052 148 T CB 0.321 69.309 68.868 0.200 0.000 0.897 148 T HN 0.295 nan 8.240 nan 0.000 0.522 149 S N 2.549 118.275 115.700 0.043 0.000 2.495 149 S HA 0.799 5.270 4.470 0.002 0.000 0.273 149 S C 0.193 174.759 174.600 -0.057 0.000 1.156 149 S CA -0.419 57.743 58.200 -0.063 0.000 1.032 149 S CB 0.573 63.686 63.200 -0.145 0.000 1.160 149 S HN 0.910 nan 8.310 nan 0.000 0.489 150 S N -0.849 114.778 115.700 -0.122 0.000 2.595 150 S HA 0.448 4.919 4.470 0.002 0.000 0.270 150 S C -2.799 171.746 174.600 -0.092 0.000 1.145 150 S CA -0.937 57.239 58.200 -0.040 0.000 0.825 150 S CB 0.860 64.098 63.200 0.063 0.000 1.107 150 S HN 0.331 nan 8.310 nan 0.000 0.461 151 P HA -0.069 nan 4.420 nan 0.000 0.216 151 P C 1.616 178.940 177.300 0.039 0.000 1.150 151 P CA 2.389 65.496 63.100 0.011 0.000 0.843 151 P CB -0.219 31.590 31.700 0.182 0.000 0.787 152 A N -0.296 122.585 122.820 0.103 0.000 1.933 152 A HA -0.083 4.238 4.320 0.002 0.000 0.218 152 A C 2.504 180.087 177.584 -0.001 0.000 1.175 152 A CA 2.000 54.114 52.037 0.128 0.000 0.628 152 A CB -1.857 17.302 19.000 0.265 0.000 0.814 152 A HN 0.283 nan 8.150 nan 0.000 0.444 153 G N 0.010 108.729 108.800 -0.136 0.000 2.440 153 G HA2 -0.194 3.767 3.960 0.002 0.000 0.218 153 G HA3 -0.194 3.767 3.960 0.002 0.000 0.218 153 G C 1.542 176.340 174.900 -0.170 0.000 1.154 153 G CA 1.144 46.135 45.100 -0.181 0.000 0.767 153 G HN 0.456 nan 8.290 nan 0.000 0.552 154 L N -1.534 119.470 121.223 -0.364 0.000 2.056 154 L HA 0.017 4.358 4.340 0.002 0.000 0.207 154 L C 2.279 179.011 176.870 -0.229 0.000 1.078 154 L CA 0.948 55.430 54.840 -0.597 0.000 0.749 154 L CB -0.237 40.862 42.059 -1.600 0.000 0.901 154 L HN 0.225 nan 8.230 nan 0.000 0.433 155 Y N -0.853 119.514 120.300 0.111 0.000 2.426 155 Y HA 0.468 5.019 4.550 0.002 0.000 0.249 155 Y C 1.214 177.195 175.900 0.135 0.000 1.103 155 Y CA -0.195 58.001 58.100 0.160 0.000 1.256 155 Y CB 0.053 38.568 38.460 0.092 0.000 1.208 155 Y HN 0.127 nan 8.280 nan 0.000 0.519 156 G N 1.657 110.592 108.800 0.225 0.000 2.733 156 G HA2 -0.101 3.861 3.960 0.002 0.000 0.686 156 G HA3 -0.101 3.861 3.960 0.002 0.000 0.686 156 G C -1.053 173.962 174.900 0.191 0.000 1.373 156 G CA -0.363 44.843 45.100 0.176 0.000 0.838 156 G HN 0.400 nan 8.290 nan 0.000 0.588 157 N N -1.354 117.444 118.700 0.164 0.000 2.521 157 N HA 0.517 5.258 4.740 0.002 0.000 0.269 157 N C -0.631 174.989 175.510 0.184 0.000 1.079 157 N CA -0.588 52.572 53.050 0.184 0.000 0.980 157 N CB 1.040 39.637 38.487 0.183 0.000 1.667 157 N HN 0.914 nan 8.380 nan 0.000 0.498 158 F N 3.407 123.399 119.950 0.071 0.000 2.623 158 F HA 0.295 4.824 4.527 0.002 0.000 0.383 158 F C 1.696 177.520 175.800 0.041 0.000 1.077 158 F CA 2.105 60.140 58.000 0.058 0.000 1.268 158 F CB 0.169 39.202 39.000 0.055 0.000 1.053 158 F HN 0.769 nan 8.300 nan 0.000 0.571 159 G N 4.307 112.978 108.800 -0.215 0.000 2.168 159 G HA2 -0.315 3.647 3.960 0.002 0.000 0.263 159 G HA3 -0.315 3.647 3.960 0.002 0.000 0.263 159 G C 0.380 175.275 174.900 -0.010 0.000 0.977 159 G CA 0.462 45.523 45.100 -0.066 0.000 0.659 159 G HN 0.680 nan 8.290 nan 0.000 0.533 160 Q N -0.773 119.032 119.800 0.009 0.000 2.217 160 Q HA 0.617 4.958 4.340 0.002 0.000 0.340 160 Q C 1.895 177.926 176.000 0.052 0.000 0.893 160 Q CA 0.259 56.091 55.803 0.049 0.000 1.142 160 Q CB 0.920 29.728 28.738 0.115 0.000 1.288 160 Q HN 0.544 nan 8.270 nan 0.000 0.426 161 A N 1.722 124.547 122.820 0.008 0.000 1.908 161 A HA -0.285 4.037 4.320 0.002 0.000 0.218 161 A C 1.886 179.500 177.584 0.049 0.000 1.181 161 A CA 2.237 54.295 52.037 0.036 0.000 0.627 161 A CB -0.369 18.661 19.000 0.050 0.000 0.818 161 A HN 0.574 nan 8.150 nan 0.000 0.445 162 N N -0.752 117.924 118.700 -0.040 0.000 2.028 162 N HA -0.255 4.486 4.740 0.002 0.000 0.194 162 N C 1.685 177.061 175.510 -0.224 0.000 1.050 162 N CA 2.061 54.923 53.050 -0.313 0.000 0.848 162 N CB -1.180 37.075 38.487 -0.386 0.000 1.038 162 N HN 0.545 nan 8.380 nan 0.000 0.423 163 Y N 1.019 121.172 120.300 -0.245 0.000 2.165 163 Y HA -0.096 4.455 4.550 0.002 0.000 0.286 163 Y C 2.557 178.325 175.900 -0.221 0.000 1.155 163 Y CA 2.040 59.966 58.100 -0.291 0.000 1.164 163 Y CB -0.660 37.669 38.460 -0.218 0.000 0.978 163 Y HN 0.221 nan 8.280 nan 0.000 0.513 164 A N -0.536 122.241 122.820 -0.072 0.000 1.877 164 A HA -0.197 4.124 4.320 0.002 0.000 0.216 164 A C 2.410 179.914 177.584 -0.134 0.000 1.186 164 A CA 2.070 54.044 52.037 -0.105 0.000 0.620 164 A CB -1.261 17.757 19.000 0.030 0.000 0.822 164 A HN 0.510 nan 8.150 nan 0.000 0.443 165 S N 0.043 115.686 115.700 -0.095 0.000 2.374 165 S HA -0.162 4.309 4.470 0.002 0.000 0.227 165 S C 2.227 176.735 174.600 -0.153 0.000 1.037 165 S CA 1.511 59.659 58.200 -0.087 0.000 1.024 165 S CB -0.497 62.677 63.200 -0.042 0.000 0.861 165 S HN 0.828 nan 8.310 nan 0.000 0.456 166 A N 1.657 124.329 122.820 -0.247 0.000 1.874 166 A HA -0.010 4.311 4.320 0.002 0.000 0.214 166 A C 2.046 179.515 177.584 -0.192 0.000 1.189 166 A CA 0.964 52.878 52.037 -0.205 0.000 0.615 166 A CB -0.248 18.613 19.000 -0.233 0.000 0.830 166 A HN 0.218 nan 8.150 nan 0.000 0.443 167 K N 0.103 120.293 120.400 -0.350 0.000 2.217 167 K HA -0.017 4.304 4.320 0.002 0.000 0.202 167 K C 2.170 178.654 176.600 -0.194 0.000 1.051 167 K CA 1.265 57.362 56.287 -0.317 0.000 0.952 167 K CB -0.553 31.619 32.500 -0.545 0.000 0.736 167 K HN 0.432 nan 8.250 nan 0.000 0.453 168 S N 0.661 116.268 115.700 -0.156 0.000 2.395 168 S HA 0.013 4.484 4.470 0.002 0.000 0.225 168 S C 1.998 176.580 174.600 -0.030 0.000 1.027 168 S CA 0.890 59.039 58.200 -0.084 0.000 0.965 168 S CB -0.056 63.128 63.200 -0.026 0.000 0.812 168 S HN 0.313 nan 8.310 nan 0.000 0.482 169 A N 1.447 124.251 122.820 -0.027 0.000 1.948 169 A HA -0.031 4.290 4.320 0.002 0.000 0.220 169 A C 2.025 179.671 177.584 0.103 0.000 1.177 169 A CA 1.437 53.483 52.037 0.015 0.000 0.636 169 A CB -0.778 18.213 19.000 -0.016 0.000 0.815 169 A HN 0.580 nan 8.150 nan 0.000 0.449 170 L N -0.573 120.706 121.223 0.093 0.000 2.465 170 L HA -0.062 4.279 4.340 0.002 0.000 0.224 170 L C 2.205 179.176 176.870 0.169 0.000 1.145 170 L CA 0.146 55.108 54.840 0.204 0.000 0.834 170 L CB -0.343 41.812 42.059 0.160 0.000 0.944 170 L HN 0.394 nan 8.230 nan 0.000 0.451 171 L N -0.668 120.570 121.223 0.025 0.000 2.005 171 L HA -0.093 4.248 4.340 0.002 0.000 0.207 171 L C 2.660 179.712 176.870 0.304 0.000 1.072 171 L CA 1.573 56.367 54.840 -0.078 0.000 0.744 171 L CB -1.205 40.564 42.059 -0.483 0.000 0.895 171 L HN 0.272 nan 8.230 nan 0.000 0.433 172 G N -0.743 108.224 108.800 0.279 0.000 2.408 172 G HA2 -0.278 3.683 3.960 0.002 0.000 0.217 172 G HA3 -0.278 3.683 3.960 0.002 0.000 0.217 172 G C 1.490 176.596 174.900 0.344 0.000 1.150 172 G CA 0.187 45.475 45.100 0.312 0.000 0.776 172 G HN 0.187 nan 8.290 nan 0.000 0.542 173 F N 2.723 122.765 119.950 0.152 0.000 2.095 173 F HA -0.035 4.493 4.527 0.002 0.000 0.298 173 F C 2.755 178.624 175.800 0.114 0.000 1.104 173 F CA 0.911 58.990 58.000 0.133 0.000 1.232 173 F CB -0.698 38.408 39.000 0.176 0.000 0.987 173 F HN 0.236 nan 8.300 nan 0.000 0.475 174 A N -0.158 122.747 122.820 0.142 0.000 1.933 174 A HA -0.209 4.112 4.320 0.002 0.000 0.218 174 A C 2.155 179.824 177.584 0.142 0.000 1.175 174 A CA 1.839 53.924 52.037 0.080 0.000 0.628 174 A CB -0.839 18.307 19.000 0.242 0.000 0.814 174 A HN 0.555 nan 8.150 nan 0.000 0.444 175 E N -0.999 119.361 120.200 0.266 0.000 2.106 175 E HA -0.109 4.243 4.350 0.002 0.000 0.192 175 E C 2.032 178.743 176.600 0.185 0.000 0.984 175 E CA 1.497 58.044 56.400 0.245 0.000 0.806 175 E CB -0.260 29.649 29.700 0.348 0.000 0.750 175 E HN 0.587 nan 8.360 nan 0.000 0.458 176 T N 1.412 116.063 114.554 0.162 0.000 2.777 176 T HA -0.090 4.261 4.350 0.002 0.000 0.266 176 T C 1.948 176.674 174.700 0.045 0.000 1.040 176 T CA 0.786 62.968 62.100 0.137 0.000 1.141 176 T CB -0.124 68.840 68.868 0.160 0.000 0.868 176 T HN 0.050 nan 8.240 nan 0.000 0.444 177 L N 0.864 122.016 121.223 -0.120 0.000 2.056 177 L HA -0.003 4.339 4.340 0.002 0.000 0.207 177 L C 3.031 179.987 176.870 0.143 0.000 1.078 177 L CA 1.123 55.867 54.840 -0.160 0.000 0.749 177 L CB -0.693 41.148 42.059 -0.364 0.000 0.901 177 L HN 0.201 nan 8.230 nan 0.000 0.433 178 A N 0.280 123.166 122.820 0.110 0.000 1.908 178 A HA -0.249 4.073 4.320 0.002 0.000 0.218 178 A C 2.346 180.023 177.584 0.155 0.000 1.181 178 A CA 1.947 54.063 52.037 0.131 0.000 0.627 178 A CB -0.372 18.690 19.000 0.104 0.000 0.818 178 A HN 0.364 nan 8.150 nan 0.000 0.445 179 K N -0.586 119.922 120.400 0.180 0.000 2.031 179 K HA -0.092 4.229 4.320 0.002 0.000 0.205 179 K C 2.014 178.756 176.600 0.237 0.000 1.049 179 K CA 1.445 57.859 56.287 0.213 0.000 0.939 179 K CB -0.182 32.485 32.500 0.279 0.000 0.717 179 K HN 0.570 nan 8.250 nan 0.000 0.438 180 E N -0.063 120.316 120.200 0.299 0.000 2.150 180 E HA -0.110 4.241 4.350 0.002 0.000 0.193 180 E C 2.044 178.957 176.600 0.521 0.000 0.985 180 E CA 0.945 57.571 56.400 0.376 0.000 0.814 180 E CB 0.001 29.944 29.700 0.406 0.000 0.752 180 E HN 0.448 nan 8.360 nan 0.000 0.466 181 G N 0.853 109.965 108.800 0.520 0.000 2.494 181 G HA2 -0.066 3.895 3.960 0.002 0.000 0.216 181 G HA3 -0.066 3.895 3.960 0.002 0.000 0.216 181 G C 1.646 176.681 174.900 0.225 0.000 1.140 181 G CA 0.539 45.909 45.100 0.449 0.000 0.801 181 G HN 0.291 nan 8.290 nan 0.000 0.536 182 A N 2.194 125.102 122.820 0.147 0.000 1.903 182 A HA -0.206 4.115 4.320 0.002 0.000 0.219 182 A C 2.241 179.815 177.584 -0.016 0.000 1.191 182 A CA 2.486 54.550 52.037 0.045 0.000 0.638 182 A CB -0.517 18.499 19.000 0.026 0.000 0.823 182 A HN 0.551 nan 8.150 nan 0.000 0.451 183 K N -1.871 118.483 120.400 -0.076 0.000 2.211 183 K HA -0.113 4.208 4.320 0.002 0.000 0.203 183 K C 1.153 177.559 176.600 -0.322 0.000 1.050 183 K CA 1.624 57.766 56.287 -0.242 0.000 0.945 183 K CB -0.445 31.828 32.500 -0.379 0.000 0.732 183 K HN 0.545 nan 8.250 nan 0.000 0.451 184 Y N 1.604 121.870 120.300 -0.058 0.000 2.461 184 Y HA 0.188 4.739 4.550 0.002 0.000 0.277 184 Y C -0.193 175.637 175.900 -0.116 0.000 1.182 184 Y CA -0.422 57.619 58.100 -0.099 0.000 1.276 184 Y CB -0.094 38.261 38.460 -0.175 0.000 1.087 184 Y HN 0.127 nan 8.280 nan 0.000 0.519 185 N N 0.591 119.294 118.700 0.004 0.000 2.754 185 N HA -0.212 4.529 4.740 0.002 0.000 0.248 185 N C -0.802 174.596 175.510 -0.187 0.000 1.093 185 N CA 0.831 53.854 53.050 -0.046 0.000 0.699 185 N CB -1.729 36.773 38.487 0.025 0.000 1.016 185 N HN 0.397 nan 8.380 nan 0.000 0.552 186 I N 0.804 121.276 120.570 -0.162 0.000 2.312 186 I HA 0.211 4.382 4.170 0.002 0.000 0.290 186 I C 0.411 176.464 176.117 -0.106 0.000 1.008 186 I CA -0.269 60.877 61.300 -0.256 0.000 1.226 186 I CB 1.138 38.998 38.000 -0.232 0.000 1.371 186 I HN -0.188 nan 8.210 nan 0.000 0.468 187 K N 5.317 125.622 120.400 -0.157 0.000 2.221 187 K HA 0.836 5.157 4.320 0.002 0.000 0.258 187 K C -0.858 175.736 176.600 -0.009 0.000 0.944 187 K CA -0.675 55.579 56.287 -0.054 0.000 0.823 187 K CB 2.458 34.913 32.500 -0.075 0.000 1.113 187 K HN 0.672 nan 8.250 nan 0.000 0.431 188 A N 3.366 126.219 122.820 0.054 0.000 2.356 188 A HA 0.572 4.893 4.320 0.002 0.000 0.310 188 A C -1.037 176.619 177.584 0.120 0.000 1.075 188 A CA -0.812 51.270 52.037 0.076 0.000 0.746 188 A CB 0.830 19.864 19.000 0.056 0.000 1.221 188 A HN 0.770 nan 8.150 nan 0.000 0.443 189 N N -0.102 118.694 118.700 0.160 0.000 2.455 189 N HA 0.718 5.460 4.740 0.002 0.000 0.278 189 N C -0.985 174.700 175.510 0.293 0.000 1.291 189 N CA -0.416 52.793 53.050 0.264 0.000 0.780 189 N CB 2.511 41.204 38.487 0.344 0.000 1.520 189 N HN 0.837 nan 8.380 nan 0.000 0.486 190 A N 0.853 123.918 122.820 0.408 0.000 2.342 190 A HA 0.746 5.067 4.320 0.002 0.000 0.323 190 A C -0.199 177.597 177.584 0.353 0.000 1.125 190 A CA -0.704 51.528 52.037 0.325 0.000 0.785 190 A CB 0.532 19.685 19.000 0.255 0.000 1.221 190 A HN 0.662 nan 8.150 nan 0.000 0.463 191 I N -1.103 119.613 120.570 0.243 0.000 2.707 191 I HA 0.874 5.045 4.170 0.002 0.000 0.309 191 I C 0.085 176.270 176.117 0.114 0.000 1.001 191 I CA -0.971 60.465 61.300 0.226 0.000 1.129 191 I CB 2.411 40.534 38.000 0.204 0.000 1.308 191 I HN 0.594 nan 8.210 nan 0.000 0.466 192 A N 4.429 127.303 122.820 0.089 0.000 3.082 192 A HA 0.590 4.911 4.320 0.002 0.000 0.328 192 A C -2.753 174.867 177.584 0.060 0.000 1.089 192 A CA -1.290 50.756 52.037 0.016 0.000 0.802 192 A CB -0.154 18.780 19.000 -0.110 0.000 1.138 192 A HN 0.579 nan 8.150 nan 0.000 0.474 193 P HA 0.237 nan 4.420 nan 0.000 0.276 193 P C -0.200 177.146 177.300 0.076 0.000 1.243 193 P CA -0.198 62.955 63.100 0.088 0.000 0.768 193 P CB 1.214 32.979 31.700 0.108 0.000 0.856 194 L N 3.748 125.007 121.223 0.060 0.000 2.416 194 L HA 0.422 4.763 4.340 0.002 0.000 0.272 194 L C 0.053 176.945 176.870 0.036 0.000 1.161 194 L CA 0.078 54.948 54.840 0.051 0.000 0.845 194 L CB -0.057 42.022 42.059 0.033 0.000 1.119 194 L HN 0.500 nan 8.230 nan 0.000 0.464 195 A N 5.561 128.404 122.820 0.038 0.000 2.299 195 A HA 0.665 4.986 4.320 0.002 0.000 0.332 195 A C -0.141 177.446 177.584 0.004 0.000 1.131 195 A CA -0.827 51.223 52.037 0.021 0.000 0.844 195 A CB 0.617 19.634 19.000 0.028 0.000 1.251 195 A HN 0.741 nan 8.150 nan 0.000 0.486 196 R N 0.792 121.287 120.500 -0.008 0.000 2.404 196 R HA 0.353 4.694 4.340 0.002 0.000 0.315 196 R C 0.166 176.458 176.300 -0.014 0.000 1.032 196 R CA 0.700 56.792 56.100 -0.014 0.000 0.992 196 R CB 0.291 30.580 30.300 -0.018 0.000 0.959 196 R HN 0.888 nan 8.270 nan 0.000 0.428 197 S N 1.406 117.098 115.700 -0.013 0.000 2.794 197 S HA 0.354 4.825 4.470 0.002 0.000 0.299 197 S C 0.683 175.273 174.600 -0.017 0.000 1.179 197 S CA -1.144 57.047 58.200 -0.015 0.000 0.838 197 S CB 1.698 64.892 63.200 -0.010 0.000 1.206 197 S HN 0.587 nan 8.310 nan 0.000 0.523 198 R N -0.379 120.110 120.500 -0.018 0.000 2.096 198 R HA -0.006 4.335 4.340 0.002 0.000 0.235 198 R C 2.308 178.594 176.300 -0.023 0.000 1.127 198 R CA 1.781 57.868 56.100 -0.022 0.000 0.968 198 R CB -0.437 29.847 30.300 -0.026 0.000 0.861 198 R HN 0.716 nan 8.270 nan 0.000 0.440 199 M N 0.086 119.675 119.600 -0.019 0.000 2.099 199 M HA -0.138 4.344 4.480 0.002 0.000 0.262 199 M C 1.519 177.806 176.300 -0.021 0.000 1.067 199 M CA 1.794 57.083 55.300 -0.019 0.000 1.124 199 M CB 0.020 32.615 32.600 -0.008 0.000 1.353 199 M HN 0.059 nan 8.290 nan 0.000 0.410 200 T N 0.199 114.743 114.554 -0.017 0.000 2.777 200 T HA -0.172 4.179 4.350 0.002 0.000 0.266 200 T C 1.659 176.344 174.700 -0.026 0.000 1.040 200 T CA 1.507 63.594 62.100 -0.022 0.000 1.141 200 T CB -0.401 68.457 68.868 -0.017 0.000 0.868 200 T HN 0.489 nan 8.240 nan 0.000 0.444 201 E N 1.315 121.501 120.200 -0.023 0.000 2.338 201 E HA -0.105 4.246 4.350 0.002 0.000 0.197 201 E C 2.052 178.637 176.600 -0.025 0.000 1.007 201 E CA 1.028 57.414 56.400 -0.024 0.000 0.849 201 E CB -0.019 29.668 29.700 -0.022 0.000 0.774 201 E HN 0.594 nan 8.360 nan 0.000 0.506 202 S N -1.018 114.666 115.700 -0.027 0.000 2.535 202 S HA 0.131 4.603 4.470 0.002 0.000 0.214 202 S C 1.655 176.237 174.600 -0.030 0.000 0.980 202 S CA -0.239 57.944 58.200 -0.027 0.000 0.907 202 S CB 0.081 63.264 63.200 -0.028 0.000 0.790 202 S HN 0.231 nan 8.310 nan 0.000 0.510 203 I N 0.418 120.969 120.570 -0.033 0.000 4.032 203 I HA 0.347 4.518 4.170 0.002 0.000 0.313 203 I C 0.393 176.485 176.117 -0.041 0.000 1.272 203 I CA 0.284 61.561 61.300 -0.038 0.000 1.307 203 I CB 0.355 38.329 38.000 -0.043 0.000 1.155 203 I HN 0.234 nan 8.210 nan 0.000 0.431 204 M N 2.434 122.010 119.600 -0.039 0.000 2.465 204 M HA 0.448 4.929 4.480 0.002 0.000 0.316 204 M C -2.667 173.612 176.300 -0.035 0.000 1.121 204 M CA -1.755 53.520 55.300 -0.042 0.000 0.934 204 M CB 1.864 34.437 32.600 -0.045 0.000 1.692 204 M HN -0.295 nan 8.290 nan 0.000 0.444 205 P HA 0.273 nan 4.420 nan 0.000 0.274 205 P C -2.423 174.861 177.300 -0.027 0.000 1.237 205 P CA -1.173 61.910 63.100 -0.029 0.000 0.793 205 P CB 0.066 31.748 31.700 -0.029 0.000 0.977 206 P HA -0.130 nan 4.420 nan 0.000 0.216 206 P C -1.316 175.970 177.300 -0.022 0.000 1.154 206 P CA 2.435 65.522 63.100 -0.022 0.000 0.865 206 P CB -1.704 29.985 31.700 -0.019 0.000 0.789 207 P HA -0.074 nan 4.420 nan 0.000 0.218 207 P C 1.609 178.895 177.300 -0.023 0.000 1.149 207 P CA 1.536 64.624 63.100 -0.021 0.000 0.817 207 P CB -0.488 31.200 31.700 -0.020 0.000 0.785 208 M N -2.018 117.566 119.600 -0.027 0.000 2.236 208 M HA -0.062 4.419 4.480 0.002 0.000 0.266 208 M C 1.634 177.913 176.300 -0.034 0.000 1.070 208 M CA 1.157 56.437 55.300 -0.032 0.000 1.137 208 M CB -0.701 31.876 32.600 -0.039 0.000 1.378 208 M HN -0.072 nan 8.290 nan 0.000 0.426 209 L N 1.124 122.328 121.223 -0.031 0.000 2.131 209 L HA -0.195 4.146 4.340 0.002 0.000 0.210 209 L C 2.400 179.252 176.870 -0.030 0.000 1.092 209 L CA 1.889 56.711 54.840 -0.030 0.000 0.759 209 L CB -0.828 41.215 42.059 -0.027 0.000 0.903 209 L HN 0.421 nan 8.230 nan 0.000 0.435 210 E N -1.502 118.681 120.200 -0.028 0.000 2.435 210 E HA -0.146 4.206 4.350 0.002 0.000 0.195 210 E C 1.576 178.156 176.600 -0.033 0.000 1.029 210 E CA 0.501 56.885 56.400 -0.028 0.000 0.865 210 E CB -0.145 29.542 29.700 -0.022 0.000 0.833 210 E HN 0.384 nan 8.360 nan 0.000 0.510 211 K N 0.386 120.765 120.400 -0.036 0.000 2.393 211 K HA 0.101 4.422 4.320 0.002 0.000 0.193 211 K C 0.301 176.867 176.600 -0.056 0.000 1.026 211 K CA -0.195 56.066 56.287 -0.043 0.000 1.064 211 K CB 0.294 32.770 32.500 -0.040 0.000 0.833 211 K HN 0.064 nan 8.250 nan 0.000 0.521 212 L N 1.472 122.665 121.223 -0.050 0.000 2.391 212 L HA 0.197 4.538 4.340 0.002 0.000 0.249 212 L C -0.056 176.781 176.870 -0.055 0.000 1.308 212 L CA 0.171 54.982 54.840 -0.049 0.000 1.209 212 L CB -0.106 41.930 42.059 -0.037 0.000 1.401 212 L HN 0.071 nan 8.230 nan 0.000 0.416 213 G N 1.558 110.311 108.800 -0.078 0.000 2.645 213 G HA2 0.400 4.361 3.960 0.002 0.000 0.292 213 G HA3 0.400 4.361 3.960 0.002 0.000 0.292 213 G C -2.458 172.340 174.900 -0.171 0.000 1.415 213 G CA -0.593 44.441 45.100 -0.110 0.000 0.785 213 G HN 0.097 nan 8.290 nan 0.000 0.483 214 P HA -0.089 nan 4.420 nan 0.000 0.217 214 P C 1.451 178.392 177.300 -0.599 0.000 1.148 214 P CA 0.986 63.837 63.100 -0.415 0.000 0.828 214 P CB 0.378 31.738 31.700 -0.567 0.000 0.783 215 E N 0.082 119.880 120.200 -0.670 0.000 2.204 215 E HA -0.194 4.157 4.350 0.002 0.000 0.195 215 E C 1.301 177.850 176.600 -0.085 0.000 0.990 215 E CA 1.110 57.243 56.400 -0.445 0.000 0.821 215 E CB -0.066 29.519 29.700 -0.193 0.000 0.750 215 E HN 0.126 nan 8.360 nan 0.000 0.477 216 K N -0.026 120.329 120.400 -0.074 0.000 2.361 216 K HA 0.081 4.403 4.320 0.002 0.000 0.194 216 K C 1.908 178.569 176.600 0.102 0.000 1.032 216 K CA 0.159 56.456 56.287 0.016 0.000 1.048 216 K CB 0.642 33.107 32.500 -0.059 0.000 0.842 216 K HN 0.051 nan 8.250 nan 0.000 0.526 217 V N 0.600 120.564 119.914 0.083 0.000 2.575 217 V HA 0.002 4.123 4.120 0.002 0.000 0.242 217 V C 2.330 178.567 176.094 0.238 0.000 1.045 217 V CA 1.422 63.831 62.300 0.181 0.000 1.065 217 V CB -0.497 31.431 31.823 0.175 0.000 0.717 217 V HN 0.137 nan 8.190 nan 0.000 0.467 218 A N 0.941 123.909 122.820 0.247 0.000 1.940 218 A HA -0.127 4.194 4.320 0.002 0.000 0.219 218 A C 0.461 178.084 177.584 0.065 0.000 1.176 218 A CA 2.100 54.297 52.037 0.266 0.000 0.631 218 A CB -1.807 17.449 19.000 0.428 0.000 0.814 218 A HN 0.529 nan 8.150 nan 0.000 0.446 219 P HA -0.154 nan 4.420 nan 0.000 0.215 219 P C 1.635 178.909 177.300 -0.043 0.000 1.157 219 P CA 0.881 63.974 63.100 -0.013 0.000 0.868 219 P CB -0.072 31.606 31.700 -0.036 0.000 0.788 220 L N -0.747 120.448 121.223 -0.047 0.000 2.093 220 L HA -0.104 4.237 4.340 0.002 0.000 0.208 220 L C 2.127 178.975 176.870 -0.036 0.000 1.085 220 L CA 1.710 56.501 54.840 -0.081 0.000 0.755 220 L CB -1.075 40.964 42.059 -0.034 0.000 0.904 220 L HN -0.197 nan 8.230 nan 0.000 0.435 221 V N -0.579 119.304 119.914 -0.052 0.000 2.358 221 V HA -0.288 3.833 4.120 0.002 0.000 0.246 221 V C 2.517 178.560 176.094 -0.085 0.000 1.047 221 V CA 1.904 64.128 62.300 -0.126 0.000 1.035 221 V CB -0.503 31.079 31.823 -0.402 0.000 0.658 221 V HN 0.400 nan 8.190 nan 0.000 0.452 222 L N -1.319 119.800 121.223 -0.173 0.000 2.017 222 L HA -0.217 4.125 4.340 0.002 0.000 0.208 222 L C 2.512 179.506 176.870 0.207 0.000 1.073 222 L CA 2.093 56.808 54.840 -0.208 0.000 0.745 222 L CB -0.702 41.091 42.059 -0.443 0.000 0.894 222 L HN 0.394 nan 8.230 nan 0.000 0.432 223 Y N 0.644 120.969 120.300 0.042 0.000 2.165 223 Y HA -0.246 4.305 4.550 0.002 0.000 0.286 223 Y C 2.251 178.159 175.900 0.012 0.000 1.155 223 Y CA 1.563 59.680 58.100 0.029 0.000 1.164 223 Y CB -0.195 38.205 38.460 -0.101 0.000 0.978 223 Y HN 0.025 nan 8.280 nan 0.000 0.513 224 L N -0.932 120.266 121.223 -0.042 0.000 2.395 224 L HA -0.105 4.236 4.340 0.002 0.000 0.218 224 L C 1.917 178.746 176.870 -0.069 0.000 1.130 224 L CA 1.022 55.803 54.840 -0.100 0.000 0.826 224 L CB -0.307 41.733 42.059 -0.032 0.000 0.941 224 L HN 0.062 nan 8.230 nan 0.000 0.451 225 S N -1.073 114.662 115.700 0.059 0.000 2.575 225 S HA 0.053 4.524 4.470 0.002 0.000 0.215 225 S C 0.829 175.547 174.600 0.198 0.000 0.966 225 S CA -0.035 58.274 58.200 0.182 0.000 0.911 225 S CB 0.016 63.487 63.200 0.452 0.000 0.780 225 S HN 0.488 nan 8.310 nan 0.000 0.514 226 S N 0.736 116.430 115.700 -0.009 0.000 2.651 226 S HA 0.744 5.215 4.470 0.002 0.000 0.291 226 S C 1.200 175.694 174.600 -0.177 0.000 1.141 226 S CA -0.310 57.757 58.200 -0.221 0.000 1.027 226 S CB 1.527 64.408 63.200 -0.532 0.000 1.043 226 S HN 0.126 nan 8.310 nan 0.000 0.530 227 A N 0.775 123.507 122.820 -0.147 0.000 1.972 227 A HA -0.065 4.256 4.320 0.002 0.000 0.219 227 A C 2.076 179.586 177.584 -0.124 0.000 1.169 227 A CA 1.382 53.397 52.037 -0.037 0.000 0.635 227 A CB -0.877 18.022 19.000 -0.168 0.000 0.810 227 A HN 0.912 nan 8.150 nan 0.000 0.446 228 E N 0.603 120.667 120.200 -0.226 0.000 2.150 228 E HA -0.158 4.194 4.350 0.002 0.000 0.193 228 E C 0.394 176.878 176.600 -0.194 0.000 0.985 228 E CA 0.232 56.524 56.400 -0.180 0.000 0.814 228 E CB -0.388 29.222 29.700 -0.150 0.000 0.752 228 E HN 0.612 nan 8.360 nan 0.000 0.466 229 N N 1.693 120.149 118.700 -0.406 0.000 2.365 229 N HA -0.120 4.621 4.740 0.002 0.000 0.265 229 N C 0.507 175.939 175.510 -0.129 0.000 1.288 229 N CA 0.524 53.342 53.050 -0.386 0.000 0.869 229 N CB 0.587 38.739 38.487 -0.559 0.000 1.071 229 N HN -0.060 nan 8.380 nan 0.000 0.480 230 E N 2.643 122.829 120.200 -0.023 0.000 2.460 230 E HA 0.103 4.454 4.350 0.002 0.000 0.200 230 E C 0.024 176.643 176.600 0.032 0.000 1.011 230 E CA -0.039 56.362 56.400 0.002 0.000 0.912 230 E CB 0.223 29.932 29.700 0.015 0.000 0.953 230 E HN 0.596 nan 8.360 nan 0.000 0.494 231 L N 1.264 122.535 121.223 0.079 0.000 2.453 231 L HA 0.153 4.494 4.340 0.002 0.000 0.272 231 L C 0.570 177.503 176.870 0.106 0.000 1.182 231 L CA 0.523 55.441 54.840 0.131 0.000 0.858 231 L CB 0.646 42.862 42.059 0.261 0.000 1.120 231 L HN -0.138 nan 8.230 nan 0.000 0.474 232 T N 1.015 115.622 114.554 0.089 0.000 2.982 232 T HA 0.534 4.885 4.350 0.002 0.000 0.321 232 T C 0.353 175.083 174.700 0.051 0.000 1.229 232 T CA 0.291 62.434 62.100 0.070 0.000 1.044 232 T CB 1.534 70.425 68.868 0.038 0.000 1.184 232 T HN 0.908 nan 8.240 nan 0.000 0.477 233 G N 2.667 111.503 108.800 0.060 0.000 2.148 233 G HA2 -0.160 3.801 3.960 0.002 0.000 0.254 233 G HA3 -0.160 3.801 3.960 0.002 0.000 0.254 233 G C -0.160 174.642 174.900 -0.163 0.000 0.981 233 G CA 0.220 45.333 45.100 0.022 0.000 0.670 233 G HN 0.740 nan 8.290 nan 0.000 0.528 234 Q N -0.724 118.993 119.800 -0.139 0.000 2.297 234 Q HA 0.787 5.128 4.340 0.002 0.000 0.268 234 Q C -0.055 175.741 176.000 -0.340 0.000 1.045 234 Q CA -0.588 54.964 55.803 -0.419 0.000 0.861 234 Q CB 1.333 29.913 28.738 -0.263 0.000 1.344 234 Q HN 0.329 nan 8.270 nan 0.000 0.452 235 F N 0.823 120.526 119.950 -0.413 0.000 2.522 235 F HA 0.677 5.205 4.527 0.002 0.000 0.324 235 F C -0.338 175.049 175.800 -0.688 0.000 1.077 235 F CA -1.009 56.785 58.000 -0.342 0.000 0.944 235 F CB 1.393 40.218 39.000 -0.293 0.000 1.175 235 F HN 0.292 nan 8.300 nan 0.000 0.468 236 F N 0.080 120.125 119.950 0.158 0.000 2.581 236 F HA 0.329 4.857 4.527 0.002 0.000 0.311 236 F C -0.347 175.479 175.800 0.044 0.000 1.113 236 F CA -1.101 56.951 58.000 0.086 0.000 0.935 236 F CB 1.673 40.731 39.000 0.097 0.000 1.232 236 F HN 0.384 nan 8.300 nan 0.000 0.445 237 E N 1.971 122.283 120.200 0.187 0.000 2.331 237 E HA 0.660 5.011 4.350 0.002 0.000 0.272 237 E C -1.162 175.540 176.600 0.171 0.000 1.036 237 E CA -0.604 55.890 56.400 0.157 0.000 0.864 237 E CB 2.127 31.935 29.700 0.180 0.000 1.035 237 E HN 0.347 nan 8.360 nan 0.000 0.408 238 V N 1.008 120.997 119.914 0.125 0.000 2.697 238 V HA 0.662 4.783 4.120 0.002 0.000 0.300 238 V C -1.061 175.023 176.094 -0.017 0.000 1.115 238 V CA -0.789 61.519 62.300 0.012 0.000 0.912 238 V CB 1.672 33.548 31.823 0.088 0.000 1.024 238 V HN 0.772 nan 8.190 nan 0.000 0.431 239 A N 3.700 126.452 122.820 -0.113 0.000 2.508 239 A HA 0.830 5.152 4.320 0.002 0.000 0.297 239 A C 0.305 177.826 177.584 -0.105 0.000 1.036 239 A CA 0.255 52.254 52.037 -0.064 0.000 0.957 239 A CB 0.877 19.880 19.000 0.004 0.000 1.428 239 A HN 2.534 nan 8.150 nan 0.000 0.393 240 A N 1.083 123.832 122.820 -0.118 0.000 2.822 240 A HA 0.312 4.633 4.320 0.002 0.000 0.287 240 A C 1.933 179.449 177.584 -0.112 0.000 1.479 240 A CA 2.418 54.398 52.037 -0.095 0.000 0.779 240 A CB -1.734 17.230 19.000 -0.061 0.000 1.022 240 A HN 3.235 nan 8.150 nan 0.000 0.532 241 G N -3.123 105.543 108.800 -0.222 0.000 2.254 241 G HA2 -0.088 3.874 3.960 0.002 0.000 0.225 241 G HA3 -0.088 3.874 3.960 0.002 0.000 0.225 241 G C 0.143 174.868 174.900 -0.291 0.000 1.003 241 G CA 0.280 45.247 45.100 -0.222 0.000 0.622 241 G HN 1.906 nan 8.290 nan 0.000 0.507 242 F N 1.895 121.567 119.950 -0.464 0.000 2.399 242 F HA 0.699 5.227 4.527 0.002 0.000 0.342 242 F C -0.298 175.089 175.800 -0.688 0.000 1.106 242 F CA -0.875 56.905 58.000 -0.367 0.000 1.196 242 F CB 0.622 39.510 39.000 -0.187 0.000 1.163 242 F HN 0.104 nan 8.300 nan 0.000 0.547 243 Y N 3.603 123.507 120.300 -0.660 0.000 2.401 243 Y HA 0.675 5.226 4.550 0.002 0.000 0.330 243 Y C -0.544 174.948 175.900 -0.679 0.000 1.071 243 Y CA -1.125 56.703 58.100 -0.453 0.000 1.049 243 Y CB 1.362 39.708 38.460 -0.190 0.000 1.239 243 Y HN 0.762 nan 8.280 nan 0.000 0.437 244 A N 2.720 125.380 122.820 -0.265 0.000 2.520 244 A HA 0.601 4.922 4.320 0.002 0.000 0.298 244 A C -1.448 176.189 177.584 0.088 0.000 1.051 244 A CA -0.894 51.041 52.037 -0.171 0.000 0.690 244 A CB 1.978 20.856 19.000 -0.202 0.000 1.281 244 A HN 0.719 nan 8.150 nan 0.000 0.402 245 Q N 1.214 121.030 119.800 0.027 0.000 2.327 245 Q HA 0.641 4.982 4.340 0.002 0.000 0.254 245 Q C -1.166 174.871 176.000 0.062 0.000 0.952 245 Q CA -0.151 55.612 55.803 -0.067 0.000 0.884 245 Q CB 0.885 29.586 28.738 -0.061 0.000 1.224 245 Q HN 0.745 nan 8.270 nan 0.000 0.422 246 I N 3.559 124.117 120.570 -0.020 0.000 2.499 246 I HA 0.481 4.652 4.170 0.002 0.000 0.288 246 I C -1.287 174.867 176.117 0.062 0.000 1.048 246 I CA -0.770 60.580 61.300 0.084 0.000 1.062 246 I CB 1.321 39.257 38.000 -0.107 0.000 1.238 246 I HN 0.803 nan 8.210 nan 0.000 0.426 247 R N 4.140 124.737 120.500 0.162 0.000 2.912 247 R HA 0.590 4.931 4.340 0.002 0.000 0.262 247 R C -1.970 174.449 176.300 0.197 0.000 1.057 247 R CA -0.861 55.266 56.100 0.045 0.000 0.981 247 R CB 0.647 30.855 30.300 -0.153 0.000 1.201 247 R HN 0.399 nan 8.270 nan 0.000 0.484 248 W N 0.599 122.071 121.300 0.285 0.000 2.238 248 W HA 0.275 4.937 4.660 0.003 0.000 0.321 248 W C 0.140 176.762 176.519 0.172 0.000 1.293 248 W CA -0.044 57.377 57.345 0.127 0.000 1.204 248 W CB 0.744 30.281 29.460 0.129 0.000 1.167 248 W HN 0.539 nan 8.180 nan 0.000 0.553 249 E N 3.743 124.148 120.200 0.341 0.000 2.185 249 E HA 0.323 4.674 4.350 0.002 0.000 0.261 249 E C -0.891 175.857 176.600 0.247 0.000 0.879 249 E CA -0.933 55.591 56.400 0.206 0.000 0.756 249 E CB 0.917 30.729 29.700 0.186 0.000 1.152 249 E HN 0.460 nan 8.360 nan 0.000 0.416 250 R N 3.038 123.629 120.500 0.152 0.000 2.338 250 R HA 0.263 4.604 4.340 0.002 0.000 0.317 250 R C -0.330 176.020 176.300 0.083 0.000 0.968 250 R CA -0.413 55.790 56.100 0.172 0.000 0.849 250 R CB 1.239 31.622 30.300 0.139 0.000 1.128 250 R HN 0.668 nan 8.270 nan 0.000 0.448 251 S N 2.531 118.173 115.700 -0.097 0.000 2.579 251 S HA 0.083 4.554 4.470 0.002 0.000 0.275 251 S C 1.430 175.963 174.600 -0.111 0.000 1.345 251 S CA -0.187 57.724 58.200 -0.483 0.000 1.031 251 S CB 1.434 63.971 63.200 -1.105 0.000 0.892 251 S HN 0.801 nan 8.310 nan 0.000 0.529 252 G N 1.720 110.443 108.800 -0.128 0.000 2.513 252 G HA2 0.304 4.265 3.960 0.002 0.000 0.219 252 G HA3 0.304 4.265 3.960 0.002 0.000 0.219 252 G C 1.033 176.066 174.900 0.221 0.000 1.160 252 G CA 0.550 45.645 45.100 -0.008 0.000 0.767 252 G HN 2.011 nan 8.290 nan 0.000 0.571 253 G N -1.958 106.870 108.800 0.047 0.000 2.660 253 G HA2 0.264 4.225 3.960 0.002 0.000 0.247 253 G HA3 0.264 4.225 3.960 0.002 0.000 0.247 253 G C -0.448 174.410 174.900 -0.070 0.000 1.328 253 G CA 0.206 45.275 45.100 -0.051 0.000 0.884 253 G HN 1.592 nan 8.290 nan 0.000 0.531 254 V N -2.514 117.243 119.914 -0.262 0.000 2.876 254 V HA 0.871 4.992 4.120 0.002 0.000 0.312 254 V C 0.241 176.168 176.094 -0.278 0.000 1.085 254 V CA -1.246 60.874 62.300 -0.300 0.000 0.945 254 V CB 1.876 33.396 31.823 -0.504 0.000 1.017 254 V HN 0.994 nan 8.190 nan 0.000 0.428 255 L N 3.189 124.236 121.223 -0.292 0.000 2.307 255 L HA 0.651 4.992 4.340 0.002 0.000 0.284 255 L C -1.047 175.455 176.870 -0.613 0.000 1.023 255 L CA -0.148 54.570 54.840 -0.203 0.000 0.810 255 L CB 1.524 43.596 42.059 0.022 0.000 1.231 255 L HN 0.581 nan 8.230 nan 0.000 0.423 256 F N 1.534 121.311 119.950 -0.289 0.000 2.480 256 F HA 0.370 4.898 4.527 0.002 0.000 0.329 256 F C 0.500 176.090 175.800 -0.348 0.000 1.091 256 F CA -0.935 56.782 58.000 -0.472 0.000 0.972 256 F CB 1.379 39.658 39.000 -1.200 0.000 1.150 256 F HN 0.330 nan 8.300 nan 0.000 0.467 257 K N 5.032 125.409 120.400 -0.038 0.000 2.453 257 K HA 0.044 4.365 4.320 0.002 0.000 0.280 257 K C -2.135 174.496 176.600 0.052 0.000 1.045 257 K CA -1.157 55.140 56.287 0.015 0.000 1.059 257 K CB 0.431 32.957 32.500 0.043 0.000 0.901 257 K HN 0.214 nan 8.250 nan 0.000 0.475 258 P HA 0.032 nan 4.420 nan 0.000 0.226 258 P C -1.432 175.994 177.300 0.211 0.000 1.783 258 P CA -0.070 63.162 63.100 0.219 0.000 0.980 258 P CB -0.004 31.813 31.700 0.196 0.000 1.967 259 D N -1.161 119.371 120.400 0.219 0.000 2.801 259 D HA 0.099 4.740 4.640 0.002 0.000 0.277 259 D C 1.110 177.529 176.300 0.199 0.000 1.125 259 D CA -0.764 53.335 54.000 0.166 0.000 1.102 259 D CB 0.378 41.242 40.800 0.107 0.000 1.400 259 D HN -0.145 nan 8.370 nan 0.000 0.601 260 Q N -0.693 119.184 119.800 0.128 0.000 2.234 260 Q HA -0.122 4.219 4.340 0.002 0.000 0.206 260 Q C 1.806 177.888 176.000 0.136 0.000 0.980 260 Q CA 1.948 57.815 55.803 0.106 0.000 0.869 260 Q CB -0.098 28.664 28.738 0.040 0.000 0.912 260 Q HN 0.570 nan 8.270 nan 0.000 0.436 261 S N -0.408 115.383 115.700 0.153 0.000 2.453 261 S HA -0.085 4.387 4.470 0.002 0.000 0.231 261 S C 0.734 175.490 174.600 0.260 0.000 1.005 261 S CA -0.162 58.136 58.200 0.163 0.000 0.949 261 S CB -0.143 63.132 63.200 0.125 0.000 0.774 261 S HN 0.325 nan 8.310 nan 0.000 0.510 262 F N 5.369 125.384 119.950 0.109 0.000 2.636 262 F HA 0.277 4.805 4.527 0.001 0.000 0.338 262 F C 0.678 176.539 175.800 0.102 0.000 1.305 262 F CA -0.653 57.392 58.000 0.075 0.000 1.138 262 F CB -1.385 37.657 39.000 0.069 0.000 1.579 262 F HN 0.299 nan 8.300 nan 0.000 0.679 263 T N 0.132 114.844 114.554 0.264 0.000 2.936 263 T HA 0.650 5.001 4.350 0.002 0.000 0.282 263 T C 1.318 176.050 174.700 0.054 0.000 1.003 263 T CA -0.347 61.877 62.100 0.206 0.000 1.005 263 T CB 1.603 70.595 68.868 0.207 0.000 1.097 263 T HN 0.310 nan 8.240 nan 0.000 0.532 264 A N 0.273 123.135 122.820 0.070 0.000 2.024 264 A HA -0.051 4.270 4.320 0.002 0.000 0.220 264 A C 2.017 179.516 177.584 -0.142 0.000 1.164 264 A CA 1.608 53.543 52.037 -0.170 0.000 0.643 264 A CB -1.011 17.699 19.000 -0.483 0.000 0.806 264 A HN 0.917 nan 8.150 nan 0.000 0.451 265 E N -1.044 119.152 120.200 -0.006 0.000 2.274 265 E HA -0.022 4.329 4.350 0.002 0.000 0.194 265 E C 1.773 178.354 176.600 -0.031 0.000 0.996 265 E CA 0.787 57.180 56.400 -0.011 0.000 0.840 265 E CB -0.162 29.577 29.700 0.066 0.000 0.772 265 E HN 0.348 nan 8.360 nan 0.000 0.491 266 V N -0.325 119.596 119.914 0.011 0.000 2.535 266 V HA -0.150 3.971 4.120 0.002 0.000 0.246 266 V C 1.891 178.017 176.094 0.053 0.000 1.045 266 V CA 0.852 63.202 62.300 0.082 0.000 1.058 266 V CB 0.063 32.007 31.823 0.201 0.000 0.689 266 V HN 0.113 nan 8.190 nan 0.000 0.461 267 V N 0.983 120.813 119.914 -0.140 0.000 2.231 267 V HA -0.304 3.817 4.120 0.002 0.000 0.248 267 V C 2.853 178.802 176.094 -0.242 0.000 1.054 267 V CA 2.481 64.655 62.300 -0.210 0.000 1.015 267 V CB -1.418 30.202 31.823 -0.338 0.000 0.638 267 V HN 0.630 nan 8.190 nan 0.000 0.444 268 A N -0.647 121.832 122.820 -0.568 0.000 1.940 268 A HA -0.293 4.028 4.320 0.002 0.000 0.219 268 A C 2.351 179.795 177.584 -0.233 0.000 1.176 268 A CA 2.277 53.836 52.037 -0.796 0.000 0.631 268 A CB -0.549 18.044 19.000 -0.678 0.000 0.814 268 A HN 0.551 nan 8.150 nan 0.000 0.446 269 K N -0.538 119.804 120.400 -0.096 0.000 2.057 269 K HA -0.108 4.213 4.320 0.002 0.000 0.207 269 K C 1.462 178.093 176.600 0.052 0.000 1.049 269 K CA 1.481 57.770 56.287 0.004 0.000 0.931 269 K CB -0.081 32.441 32.500 0.038 0.000 0.714 269 K HN 0.446 nan 8.250 nan 0.000 0.440 270 R N -0.824 119.736 120.500 0.099 0.000 2.546 270 R HA 0.075 4.416 4.340 0.002 0.000 0.320 270 R C 1.240 177.619 176.300 0.131 0.000 1.021 270 R CA -0.330 55.841 56.100 0.118 0.000 1.088 270 R CB 0.064 30.463 30.300 0.165 0.000 1.278 270 R HN 0.117 nan 8.270 nan 0.000 0.557 271 F N 1.829 121.753 119.950 -0.043 0.000 2.120 271 F HA -0.250 4.278 4.527 0.002 0.000 0.300 271 F C 1.945 177.765 175.800 0.033 0.000 1.095 271 F CA 1.803 59.779 58.000 -0.040 0.000 1.249 271 F CB 0.034 38.985 39.000 -0.081 0.000 0.995 271 F HN -0.075 nan 8.300 nan 0.000 0.480 272 S N -0.189 115.558 115.700 0.078 0.000 2.399 272 S HA -0.212 4.260 4.470 0.002 0.000 0.231 272 S C 1.783 176.340 174.600 -0.071 0.000 1.022 272 S CA 1.376 59.582 58.200 0.010 0.000 0.983 272 S CB -0.486 62.761 63.200 0.078 0.000 0.803 272 S HN 0.526 nan 8.310 nan 0.000 0.480 273 E N 0.863 121.020 120.200 -0.071 0.000 2.118 273 E HA -0.127 4.224 4.350 0.002 0.000 0.195 273 E C 1.871 178.368 176.600 -0.172 0.000 0.992 273 E CA 1.041 57.377 56.400 -0.106 0.000 0.804 273 E CB -0.392 29.244 29.700 -0.106 0.000 0.741 273 E HN 0.518 nan 8.360 nan 0.000 0.458 274 I N 0.566 121.005 120.570 -0.218 0.000 2.163 274 I HA -0.274 3.897 4.170 0.002 0.000 0.243 274 I C 1.805 177.764 176.117 -0.264 0.000 1.085 274 I CA 1.155 62.297 61.300 -0.263 0.000 1.347 274 I CB -0.089 37.729 38.000 -0.303 0.000 1.044 274 I HN 0.049 nan 8.210 nan 0.000 0.408 275 L N 0.035 121.127 121.223 -0.218 0.000 2.627 275 L HA 0.086 4.427 4.340 0.002 0.000 0.232 275 L C 0.206 177.041 176.870 -0.057 0.000 1.150 275 L CA 0.191 54.964 54.840 -0.113 0.000 0.917 275 L CB -0.495 41.550 42.059 -0.024 0.000 1.104 275 L HN 0.085 nan 8.230 nan 0.000 0.445 276 D N -1.156 119.153 120.400 -0.152 0.000 2.317 276 D HA 0.078 4.719 4.640 0.002 0.000 0.234 276 D C 0.155 176.377 176.300 -0.129 0.000 1.112 276 D CA -0.200 53.763 54.000 -0.061 0.000 0.840 276 D CB 0.750 41.515 40.800 -0.060 0.000 1.078 276 D HN 0.051 nan 8.370 nan 0.000 0.486 277 Y N 1.208 121.505 120.300 -0.005 0.000 2.458 277 Y HA 0.114 4.665 4.550 0.002 0.000 0.256 277 Y C 0.475 176.378 175.900 0.006 0.000 1.159 277 Y CA -0.463 57.637 58.100 0.000 0.000 1.261 277 Y CB 0.416 38.886 38.460 0.017 0.000 1.119 277 Y HN 0.334 nan 8.280 nan 0.000 0.524 278 D N 1.372 121.834 120.400 0.103 0.000 2.344 278 D HA -0.005 4.636 4.640 0.002 0.000 0.253 278 D C 0.020 176.328 176.300 0.013 0.000 1.255 278 D CA 0.027 54.064 54.000 0.061 0.000 0.894 278 D CB 0.438 41.266 40.800 0.046 0.000 1.067 278 D HN 0.340 nan 8.370 nan 0.000 0.492 279 D N 1.081 121.489 120.400 0.013 0.000 2.462 279 D HA -0.040 4.601 4.640 0.002 0.000 0.221 279 D C 1.290 177.576 176.300 -0.024 0.000 1.173 279 D CA -0.066 53.919 54.000 -0.026 0.000 0.831 279 D CB -0.261 40.517 40.800 -0.038 0.000 1.001 279 D HN 0.235 nan 8.370 nan 0.000 0.499 280 S N 1.325 117.022 115.700 -0.005 0.000 2.368 280 S HA -0.281 4.190 4.470 0.002 0.000 0.226 280 S C 1.893 176.480 174.600 -0.022 0.000 1.044 280 S CA 0.842 59.039 58.200 -0.003 0.000 1.062 280 S CB -0.433 62.771 63.200 0.007 0.000 0.931 280 S HN 0.248 nan 8.310 nan 0.000 0.440 281 R N 1.210 121.691 120.500 -0.032 0.000 2.317 281 R HA 0.316 4.657 4.340 0.002 0.000 0.208 281 R C 0.157 176.418 176.300 -0.065 0.000 0.914 281 R CA 0.034 56.111 56.100 -0.039 0.000 1.060 281 R CB 0.204 30.485 30.300 -0.031 0.000 1.015 281 R HN 0.428 nan 8.270 nan 0.000 0.498 282 K N 1.295 121.643 120.400 -0.088 0.000 2.126 282 K HA 0.185 4.507 4.320 0.002 0.000 0.257 282 K C -2.198 174.298 176.600 -0.173 0.000 1.007 282 K CA -1.712 54.490 56.287 -0.142 0.000 0.928 282 K CB 0.327 32.733 32.500 -0.157 0.000 1.013 282 K HN -0.137 nan 8.250 nan 0.000 0.473 283 P HA -0.013 nan 4.420 nan 0.000 0.289 283 P C -0.066 177.034 177.300 -0.334 0.000 1.299 283 P CA -0.228 62.696 63.100 -0.293 0.000 0.766 283 P CB 0.461 31.938 31.700 -0.373 0.000 1.226 284 E N 0.032 120.115 120.200 -0.195 0.000 2.150 284 E HA -0.232 4.119 4.350 0.002 0.000 0.193 284 E C 1.613 178.145 176.600 -0.112 0.000 0.985 284 E CA 1.254 57.594 56.400 -0.100 0.000 0.814 284 E CB -1.118 28.581 29.700 -0.001 0.000 0.752 284 E HN 0.556 nan 8.360 nan 0.000 0.466 285 Y N 0.199 120.447 120.300 -0.087 0.000 2.561 285 Y HA 0.279 4.831 4.550 0.003 0.000 0.291 285 Y C 1.344 177.149 175.900 -0.157 0.000 1.141 285 Y CA 0.107 58.125 58.100 -0.137 0.000 1.303 285 Y CB -0.045 38.334 38.460 -0.136 0.000 1.015 285 Y HN -0.065 nan 8.280 nan 0.000 0.547 286 L N 1.223 122.174 121.223 -0.453 0.000 3.110 286 L HA 0.299 4.640 4.340 0.002 0.000 0.266 286 L C -0.035 176.726 176.870 -0.183 0.000 1.257 286 L CA -0.242 54.445 54.840 -0.256 0.000 1.038 286 L CB 0.124 42.022 42.059 -0.269 0.000 1.395 286 L HN -0.040 nan 8.230 nan 0.000 0.566 287 K N 1.004 121.304 120.400 -0.166 0.000 2.185 287 K HA 0.212 4.533 4.320 0.002 0.000 0.271 287 K C -0.124 176.410 176.600 -0.110 0.000 1.013 287 K CA -0.773 55.447 56.287 -0.111 0.000 0.943 287 K CB 0.721 33.173 32.500 -0.080 0.000 0.998 287 K HN 0.033 nan 8.250 nan 0.000 0.468 288 N N 2.794 121.435 118.700 -0.099 0.000 2.151 288 N HA -0.128 4.613 4.740 0.002 0.000 0.265 288 N C -0.129 175.225 175.510 -0.260 0.000 1.254 288 N CA 0.857 53.819 53.050 -0.147 0.000 0.823 288 N CB 0.272 38.710 38.487 -0.083 0.000 1.061 288 N HN 0.406 nan 8.380 nan 0.000 0.472 289 Q N 0.654 120.249 119.800 -0.342 0.000 2.445 289 Q HA 0.447 4.788 4.340 0.002 0.000 0.281 289 Q C -0.971 174.662 176.000 -0.612 0.000 1.101 289 Q CA -0.655 54.923 55.803 -0.375 0.000 0.833 289 Q CB 1.552 30.153 28.738 -0.229 0.000 1.416 289 Q HN 0.548 nan 8.270 nan 0.000 0.451 290 Y N 0.419 120.734 120.300 0.024 0.000 2.837 290 Y HA 0.329 4.880 4.550 0.002 0.000 0.356 290 Y C -2.147 173.795 175.900 0.070 0.000 1.035 290 Y CA -1.957 56.173 58.100 0.050 0.000 1.165 290 Y CB 0.460 38.902 38.460 -0.030 0.000 1.147 290 Y HN 0.401 nan 8.280 nan 0.000 0.628 291 P HA 0.243 nan 4.420 nan 0.000 0.276 291 P C -0.085 177.165 177.300 -0.084 0.000 1.261 291 P CA -0.461 62.509 63.100 -0.217 0.000 0.800 291 P CB 0.718 32.073 31.700 -0.575 0.000 1.066 292 F N -1.788 117.984 119.950 -0.297 0.000 2.825 292 F HA 0.514 5.042 4.527 0.002 0.000 0.322 292 F C 0.049 175.686 175.800 -0.272 0.000 1.127 292 F CA -0.646 57.279 58.000 -0.125 0.000 1.164 292 F CB 0.002 39.002 39.000 -0.000 0.000 1.101 292 F HN 0.161 nan 8.300 nan 0.000 0.529 293 M N 0.386 119.382 119.600 -1.008 0.000 3.069 293 M HA 0.492 4.974 4.480 0.002 0.000 0.274 293 M C -1.417 174.416 176.300 -0.779 0.000 1.146 293 M CA -1.392 53.521 55.300 -0.644 0.000 0.807 293 M CB 1.580 33.952 32.600 -0.380 0.000 1.621 293 M HN -0.024 nan 8.290 nan 0.000 0.521 294 L N 0.455 121.478 121.223 -0.335 0.000 2.483 294 L HA 0.410 4.752 4.340 0.002 0.000 0.277 294 L C 0.181 176.770 176.870 -0.468 0.000 1.248 294 L CA 0.026 54.723 54.840 -0.239 0.000 0.825 294 L CB -0.895 41.181 42.059 0.027 0.000 1.096 294 L HN 0.818 nan 8.230 nan 0.000 0.512 295 N N 0.066 118.390 118.700 -0.626 0.000 2.326 295 N HA -0.046 4.695 4.740 0.002 0.000 0.239 295 N C -0.479 174.520 175.510 -0.852 0.000 1.301 295 N CA -0.207 52.295 53.050 -0.913 0.000 0.909 295 N CB 0.251 37.887 38.487 -1.418 0.000 1.156 295 N HN 0.824 nan 8.380 nan 0.000 0.462 296 D N 1.512 121.495 120.400 -0.695 0.000 2.541 296 D HA -0.030 4.611 4.640 0.002 0.000 0.231 296 D C 0.487 176.523 176.300 -0.440 0.000 1.163 296 D CA 0.176 53.904 54.000 -0.454 0.000 1.077 296 D CB -0.686 39.917 40.800 -0.328 0.000 1.110 296 D HN 0.371 nan 8.370 nan 0.000 0.499 297 Y N 1.498 121.599 120.300 -0.331 0.000 2.333 297 Y HA -0.100 4.451 4.550 0.002 0.000 0.290 297 Y C 2.381 178.288 175.900 0.010 0.000 1.144 297 Y CA 1.100 59.053 58.100 -0.244 0.000 1.228 297 Y CB -0.269 37.857 38.460 -0.558 0.000 0.985 297 Y HN 0.475 nan 8.280 nan 0.000 0.542 298 A N -0.742 122.159 122.820 0.134 0.000 1.873 298 A HA -0.161 4.160 4.320 0.002 0.000 0.215 298 A C 2.320 179.927 177.584 0.039 0.000 1.186 298 A CA 2.141 54.273 52.037 0.158 0.000 0.616 298 A CB -1.119 17.939 19.000 0.098 0.000 0.823 298 A HN 0.367 nan 8.150 nan 0.000 0.442 299 T N 0.580 115.099 114.554 -0.057 0.000 2.746 299 T HA -0.090 4.261 4.350 0.002 0.000 0.267 299 T C 1.833 176.436 174.700 -0.162 0.000 1.039 299 T CA 1.521 63.537 62.100 -0.141 0.000 1.142 299 T CB -0.395 68.364 68.868 -0.182 0.000 0.866 299 T HN 0.350 nan 8.240 nan 0.000 0.444 300 L N 0.360 121.512 121.223 -0.118 0.000 2.017 300 L HA -0.109 4.232 4.340 0.002 0.000 0.208 300 L C 3.007 179.915 176.870 0.064 0.000 1.073 300 L CA 1.380 56.182 54.840 -0.063 0.000 0.745 300 L CB -0.821 41.145 42.059 -0.154 0.000 0.894 300 L HN 0.278 nan 8.230 nan 0.000 0.432 301 T N -0.804 113.847 114.554 0.162 0.000 2.904 301 T HA -0.173 4.178 4.350 0.002 0.000 0.267 301 T C 1.794 176.527 174.700 0.056 0.000 1.059 301 T CA 1.337 63.538 62.100 0.169 0.000 1.137 301 T CB -0.252 68.758 68.868 0.235 0.000 0.879 301 T HN 0.317 nan 8.240 nan 0.000 0.467 302 N N 0.313 119.019 118.700 0.010 0.000 2.069 302 N HA -0.146 4.595 4.740 0.002 0.000 0.191 302 N C 1.702 177.168 175.510 -0.074 0.000 1.031 302 N CA 1.408 54.433 53.050 -0.042 0.000 0.852 302 N CB -0.060 38.385 38.487 -0.070 0.000 1.018 302 N HN 0.431 nan 8.380 nan 0.000 0.423 303 E N 0.573 120.693 120.200 -0.134 0.000 2.150 303 E HA -0.063 4.288 4.350 0.002 0.000 0.193 303 E C 1.854 178.434 176.600 -0.034 0.000 0.985 303 E CA 0.637 56.945 56.400 -0.152 0.000 0.814 303 E CB -0.316 29.174 29.700 -0.350 0.000 0.752 303 E HN 0.454 nan 8.360 nan 0.000 0.466 304 A N 1.184 124.011 122.820 0.012 0.000 1.969 304 A HA -0.131 4.190 4.320 0.002 0.000 0.218 304 A C 2.108 179.705 177.584 0.021 0.000 1.169 304 A CA 1.032 53.090 52.037 0.035 0.000 0.635 304 A CB -0.327 18.721 19.000 0.081 0.000 0.810 304 A HN 0.068 nan 8.150 nan 0.000 0.445 305 R N -0.417 120.093 120.500 0.017 0.000 2.276 305 R HA 0.033 4.374 4.340 0.002 0.000 0.203 305 R C 1.522 177.825 176.300 0.005 0.000 1.017 305 R CA 0.902 57.011 56.100 0.015 0.000 1.010 305 R CB -0.034 30.271 30.300 0.009 0.000 0.900 305 R HN 0.476 nan 8.270 nan 0.000 0.469 306 K N 0.083 120.480 120.400 -0.005 0.000 2.365 306 K HA 0.081 4.403 4.320 0.002 0.000 0.197 306 K C 0.386 176.986 176.600 0.000 0.000 1.042 306 K CA 0.244 56.527 56.287 -0.007 0.000 0.987 306 K CB 0.253 32.743 32.500 -0.017 0.000 0.779 306 K HN 0.093 nan 8.250 nan 0.000 0.484 307 L N 2.875 124.100 121.223 0.002 0.000 2.464 307 L HA 0.115 4.456 4.340 0.002 0.000 0.264 307 L C -1.749 175.126 176.870 0.007 0.000 1.199 307 L CA -1.851 52.989 54.840 0.000 0.000 0.818 307 L CB -0.035 42.017 42.059 -0.013 0.000 1.102 307 L HN -0.009 nan 8.230 nan 0.000 0.473 308 P HA 0.132 nan 4.420 nan 0.000 0.277 308 P C -0.995 176.319 177.300 0.023 0.000 1.276 308 P CA -0.558 62.550 63.100 0.014 0.000 0.788 308 P CB 0.523 32.229 31.700 0.010 0.000 1.114 309 A N 1.094 123.933 122.820 0.032 0.000 2.462 309 A HA 0.095 4.416 4.320 0.002 0.000 0.243 309 A C 0.570 178.189 177.584 0.058 0.000 1.076 309 A CA -0.314 51.753 52.037 0.049 0.000 0.773 309 A CB -0.789 18.240 19.000 0.048 0.000 1.010 309 A HN 0.503 nan 8.150 nan 0.000 0.493 310 N N 1.958 120.712 118.700 0.089 0.000 2.440 310 N HA 0.001 4.742 4.740 0.002 0.000 0.265 310 N C -0.756 174.812 175.510 0.098 0.000 1.239 310 N CA 0.373 53.493 53.050 0.116 0.000 0.909 310 N CB 0.649 39.256 38.487 0.200 0.000 1.066 310 N HN 0.652 nan 8.380 nan 0.000 0.474 311 D N 1.581 122.028 120.400 0.078 0.000 2.339 311 D HA 0.236 4.877 4.640 0.002 0.000 0.241 311 D C 0.177 176.521 176.300 0.074 0.000 1.183 311 D CA -0.469 53.568 54.000 0.062 0.000 0.859 311 D CB 0.751 41.575 40.800 0.041 0.000 1.067 311 D HN 0.514 nan 8.370 nan 0.000 0.484 312 A N 3.155 126.016 122.820 0.068 0.000 2.337 312 A HA 0.147 4.468 4.320 0.002 0.000 0.227 312 A C 0.856 178.466 177.584 0.044 0.000 1.259 312 A CA -0.200 51.874 52.037 0.063 0.000 0.870 312 A CB -0.428 18.611 19.000 0.066 0.000 0.927 312 A HN 0.516 nan 8.150 nan 0.000 0.497 313 S N -0.959 114.763 115.700 0.037 0.000 2.549 313 S HA 0.420 4.892 4.470 0.002 0.000 0.283 313 S C 1.282 175.898 174.600 0.026 0.000 1.320 313 S CA 0.379 58.596 58.200 0.028 0.000 1.058 313 S CB 0.812 64.026 63.200 0.023 0.000 0.882 313 S HN 1.830 nan 8.310 nan 0.000 0.498 314 G N 1.670 110.483 108.800 0.023 0.000 2.205 314 G HA2 -0.163 3.798 3.960 0.002 0.000 0.269 314 G HA3 -0.163 3.798 3.960 0.002 0.000 0.269 314 G C 0.434 175.349 174.900 0.025 0.000 0.977 314 G CA 0.240 45.354 45.100 0.023 0.000 0.652 314 G HN 1.748 nan 8.290 nan 0.000 0.539 315 A N 0.682 123.519 122.820 0.027 0.000 2.498 315 A HA 0.574 4.895 4.320 0.002 0.000 0.239 315 A C -0.850 176.748 177.584 0.023 0.000 1.068 315 A CA -0.296 51.755 52.037 0.023 0.000 0.766 315 A CB 0.000 19.017 19.000 0.027 0.000 1.003 315 A HN 0.266 nan 8.150 nan 0.000 0.497 316 P HA 0.060 nan 4.420 nan 0.000 0.264 316 P C 0.113 177.437 177.300 0.040 0.000 1.179 316 P CA 0.424 63.544 63.100 0.032 0.000 0.763 316 P CB 0.126 31.850 31.700 0.040 0.000 0.806 317 T N 1.976 116.555 114.554 0.043 0.000 2.928 317 T HA 0.183 4.534 4.350 0.002 0.000 0.305 317 T C 0.148 174.889 174.700 0.069 0.000 1.035 317 T CA 0.086 62.217 62.100 0.051 0.000 1.145 317 T CB 0.052 68.942 68.868 0.037 0.000 0.963 317 T HN 0.055 nan 8.240 nan 0.000 0.545 318 V N 3.306 123.280 119.914 0.099 0.000 2.444 318 V HA 0.665 4.786 4.120 0.002 0.000 0.294 318 V C -0.117 176.083 176.094 0.176 0.000 1.022 318 V CA -0.555 61.808 62.300 0.104 0.000 0.850 318 V CB 1.784 33.643 31.823 0.059 0.000 0.992 318 V HN 0.908 nan 8.190 nan 0.000 0.426 319 S N 4.828 120.596 115.700 0.113 0.000 2.566 319 S HA 0.586 5.057 4.470 0.002 0.000 0.273 319 S C -0.517 174.126 174.600 0.071 0.000 1.157 319 S CA -0.548 57.730 58.200 0.130 0.000 0.938 319 S CB 1.307 64.546 63.200 0.064 0.000 1.087 319 S HN 0.605 nan 8.310 nan 0.000 0.474 320 L N 3.720 125.004 121.223 0.101 0.000 3.034 320 L HA 0.407 4.748 4.340 0.002 0.000 0.245 320 L C 0.736 177.626 176.870 0.034 0.000 1.295 320 L CA -0.294 54.586 54.840 0.066 0.000 1.068 320 L CB -0.047 42.088 42.059 0.127 0.000 1.426 320 L HN 0.515 nan 8.230 nan 0.000 0.531 321 K N 1.566 121.972 120.400 0.009 0.000 2.412 321 K HA -0.026 4.296 4.320 0.002 0.000 0.281 321 K C -0.044 176.526 176.600 -0.049 0.000 1.027 321 K CA 0.120 56.396 56.287 -0.018 0.000 0.989 321 K CB 0.394 32.881 32.500 -0.022 0.000 0.935 321 K HN 0.194 nan 8.250 nan 0.000 0.475 322 D N 2.182 122.546 120.400 -0.060 0.000 2.837 322 D HA -0.167 4.474 4.640 0.002 0.000 0.230 322 D C -0.805 175.439 176.300 -0.094 0.000 1.152 322 D CA 1.172 55.123 54.000 -0.081 0.000 0.736 322 D CB -0.316 40.441 40.800 -0.072 0.000 1.084 322 D HN 0.460 nan 8.370 nan 0.000 0.429 323 K N 0.123 120.477 120.400 -0.076 0.000 2.182 323 K HA 0.523 4.844 4.320 0.002 0.000 0.262 323 K C 0.135 176.699 176.600 -0.060 0.000 0.957 323 K CA -0.785 55.467 56.287 -0.058 0.000 0.842 323 K CB 2.426 34.919 32.500 -0.011 0.000 1.099 323 K HN -0.156 nan 8.250 nan 0.000 0.438 324 V N 3.396 123.283 119.914 -0.045 0.000 2.348 324 V HA 0.164 4.285 4.120 0.002 0.000 0.270 324 V C 0.042 176.136 176.094 -0.000 0.000 1.037 324 V CA -0.843 61.408 62.300 -0.081 0.000 0.872 324 V CB 1.289 33.087 31.823 -0.041 0.000 1.002 324 V HN 0.376 nan 8.190 nan 0.000 0.464 325 V N 6.634 126.532 119.914 -0.028 0.000 2.439 325 V HA 0.423 4.544 4.120 0.002 0.000 0.282 325 V C -0.193 175.877 176.094 -0.041 0.000 1.039 325 V CA -0.552 61.711 62.300 -0.062 0.000 0.913 325 V CB 1.640 33.364 31.823 -0.165 0.000 0.983 325 V HN 0.664 nan 8.190 nan 0.000 0.460 326 L N 7.025 128.226 121.223 -0.036 0.000 2.305 326 L HA 0.680 5.021 4.340 0.002 0.000 0.284 326 L C -0.756 176.079 176.870 -0.059 0.000 1.013 326 L CA 0.111 54.947 54.840 -0.006 0.000 0.819 326 L CB 1.103 43.175 42.059 0.021 0.000 1.227 326 L HN 0.649 nan 8.230 nan 0.000 0.417 327 I N 4.389 124.933 120.570 -0.044 0.000 2.498 327 I HA 0.547 4.718 4.170 0.002 0.000 0.290 327 I C -0.467 175.660 176.117 0.018 0.000 1.032 327 I CA -0.198 61.075 61.300 -0.044 0.000 1.073 327 I CB 2.108 40.063 38.000 -0.074 0.000 1.251 327 I HN 0.835 nan 8.210 nan 0.000 0.426 328 T N 1.938 116.509 114.554 0.028 0.000 2.925 328 T HA 0.587 4.938 4.350 0.002 0.000 0.285 328 T C 0.683 175.416 174.700 0.054 0.000 1.021 328 T CA 0.013 62.137 62.100 0.041 0.000 1.042 328 T CB 1.571 70.456 68.868 0.027 0.000 1.037 328 T HN 1.174 nan 8.240 nan 0.000 0.481 329 G N 0.517 109.354 108.800 0.061 0.000 2.323 329 G HA2 0.027 3.988 3.960 0.002 0.000 0.292 329 G HA3 0.027 3.988 3.960 0.002 0.000 0.292 329 G C 0.525 175.457 174.900 0.054 0.000 1.040 329 G CA -0.021 45.122 45.100 0.070 0.000 0.942 329 G HN 1.565 nan 8.290 nan 0.000 0.506 330 A N -0.729 122.117 122.820 0.044 0.000 2.503 330 A HA 0.676 4.997 4.320 0.002 0.000 0.263 330 A C 2.133 179.724 177.584 0.012 0.000 1.258 330 A CA 1.294 53.353 52.037 0.037 0.000 0.936 330 A CB 0.128 19.168 19.000 0.066 0.000 1.070 330 A HN 1.411 nan 8.150 nan 0.000 0.522 331 G N -0.330 108.466 108.800 -0.006 0.000 2.443 331 G HA2 0.344 4.305 3.960 0.002 0.000 0.219 331 G HA3 0.344 4.305 3.960 0.002 0.000 0.219 331 G C 0.646 175.523 174.900 -0.038 0.000 1.131 331 G CA 1.200 46.279 45.100 -0.035 0.000 0.775 331 G HN 0.993 nan 8.290 nan 0.000 0.547 332 A N -2.601 120.199 122.820 -0.033 0.000 2.567 332 A HA 0.792 5.114 4.320 0.002 0.000 0.289 332 A C 0.937 178.486 177.584 -0.059 0.000 1.177 332 A CA 0.315 52.327 52.037 -0.041 0.000 0.694 332 A CB 0.285 19.260 19.000 -0.041 0.000 1.292 332 A HN 1.759 nan 8.150 nan 0.000 0.425 333 G N -0.910 107.849 108.800 -0.070 0.000 2.611 333 G HA2 -0.249 3.712 3.960 0.002 0.000 0.301 333 G HA3 -0.249 3.712 3.960 0.002 0.000 0.301 333 G C 0.967 175.758 174.900 -0.181 0.000 1.233 333 G CA 0.785 45.822 45.100 -0.104 0.000 0.993 333 G HN 1.326 nan 8.290 nan 0.000 0.553 334 L N 1.258 122.325 121.223 -0.259 0.000 2.056 334 L HA 0.122 4.464 4.340 0.002 0.000 0.207 334 L C 3.334 179.665 176.870 -0.900 0.000 1.078 334 L CA 1.790 56.295 54.840 -0.558 0.000 0.749 334 L CB -0.993 40.787 42.059 -0.466 0.000 0.901 334 L HN 0.732 nan 8.230 nan 0.000 0.433 335 G N -0.166 108.370 108.800 -0.440 0.000 2.418 335 G HA2 -0.268 3.693 3.960 0.002 0.000 0.217 335 G HA3 -0.268 3.693 3.960 0.002 0.000 0.217 335 G C 1.676 176.538 174.900 -0.064 0.000 1.158 335 G CA 0.520 45.519 45.100 -0.168 0.000 0.771 335 G HN 0.168 nan 8.290 nan 0.000 0.545 336 K N 0.347 120.707 120.400 -0.068 0.000 2.034 336 K HA -0.174 4.147 4.320 0.002 0.000 0.214 336 K C 2.371 179.005 176.600 0.057 0.000 1.051 336 K CA 1.665 57.953 56.287 0.002 0.000 0.931 336 K CB -0.150 32.341 32.500 -0.016 0.000 0.715 336 K HN 0.207 nan 8.250 nan 0.000 0.446 337 E N -0.179 120.021 120.200 -0.000 0.000 2.106 337 E HA -0.168 4.184 4.350 0.002 0.000 0.192 337 E C 2.091 178.900 176.600 0.349 0.000 0.984 337 E CA 1.158 57.651 56.400 0.155 0.000 0.806 337 E CB -0.496 29.274 29.700 0.117 0.000 0.750 337 E HN 0.547 nan 8.360 nan 0.000 0.458 338 Y N 1.038 121.471 120.300 0.223 0.000 2.128 338 Y HA -0.233 4.318 4.550 0.003 0.000 0.284 338 Y C 2.606 178.784 175.900 0.463 0.000 1.154 338 Y CA 0.493 58.753 58.100 0.266 0.000 1.149 338 Y CB -0.285 38.304 38.460 0.215 0.000 0.976 338 Y HN 0.057 nan 8.280 nan 0.000 0.505 339 A N 0.613 123.730 122.820 0.494 0.000 1.908 339 A HA -0.255 4.066 4.320 0.002 0.000 0.218 339 A C 2.047 179.859 177.584 0.381 0.000 1.181 339 A CA 2.063 54.334 52.037 0.390 0.000 0.627 339 A CB -0.571 18.557 19.000 0.213 0.000 0.818 339 A HN 0.416 nan 8.150 nan 0.000 0.445 340 K N -1.912 118.682 120.400 0.322 0.000 2.211 340 K HA -0.166 4.156 4.320 0.002 0.000 0.203 340 K C 1.674 178.403 176.600 0.215 0.000 1.050 340 K CA 1.323 57.739 56.287 0.215 0.000 0.945 340 K CB -0.215 32.378 32.500 0.154 0.000 0.732 340 K HN 0.696 nan 8.250 nan 0.000 0.451 341 W N -0.018 121.378 121.300 0.161 0.000 2.388 341 W HA -0.030 4.630 4.660 0.001 0.000 0.294 341 W C 1.694 178.290 176.519 0.128 0.000 1.212 341 W CA 0.769 58.183 57.345 0.116 0.000 1.271 341 W CB -0.442 29.033 29.460 0.025 0.000 1.126 341 W HN -0.052 nan 8.180 nan 0.000 0.535 342 F N -0.136 120.014 119.950 0.334 0.000 2.186 342 F HA -0.128 4.400 4.527 0.002 0.000 0.299 342 F C 2.405 178.304 175.800 0.165 0.000 1.090 342 F CA 1.628 59.759 58.000 0.219 0.000 1.307 342 F CB -0.992 38.096 39.000 0.146 0.000 1.019 342 F HN -0.139 nan 8.300 nan 0.000 0.489 343 A N -0.061 122.938 122.820 0.299 0.000 1.968 343 A HA -0.179 4.142 4.320 0.002 0.000 0.217 343 A C 2.049 179.673 177.584 0.066 0.000 1.169 343 A CA 1.709 53.837 52.037 0.153 0.000 0.638 343 A CB -0.512 18.558 19.000 0.118 0.000 0.812 343 A HN 0.292 nan 8.150 nan 0.000 0.446 344 K N -1.207 119.207 120.400 0.023 0.000 2.296 344 K HA -0.050 4.271 4.320 0.002 0.000 0.200 344 K C 0.931 177.389 176.600 -0.237 0.000 1.048 344 K CA 1.215 57.412 56.287 -0.149 0.000 0.966 344 K CB -0.643 31.681 32.500 -0.293 0.000 0.754 344 K HN 0.446 nan 8.250 nan 0.000 0.466 345 Y N -0.042 120.222 120.300 -0.061 0.000 2.502 345 Y HA 0.200 4.751 4.550 0.002 0.000 0.295 345 Y C 1.316 177.201 175.900 -0.024 0.000 1.193 345 Y CA 0.728 58.798 58.100 -0.049 0.000 1.295 345 Y CB 0.588 39.016 38.460 -0.054 0.000 1.059 345 Y HN 0.375 nan 8.280 nan 0.000 0.514 346 G N -0.761 108.081 108.800 0.069 0.000 2.184 346 G HA2 -0.170 3.792 3.960 0.002 0.000 0.206 346 G HA3 -0.170 3.792 3.960 0.002 0.000 0.206 346 G C 0.298 175.214 174.900 0.027 0.000 0.995 346 G CA -0.263 44.853 45.100 0.026 0.000 0.651 346 G HN 0.545 nan 8.290 nan 0.000 0.511 347 A N 0.044 122.910 122.820 0.076 0.000 2.371 347 A HA 0.691 5.012 4.320 0.002 0.000 0.257 347 A C 0.396 177.958 177.584 -0.038 0.000 1.089 347 A CA 0.173 52.234 52.037 0.041 0.000 0.794 347 A CB 0.363 19.452 19.000 0.148 0.000 1.029 347 A HN 0.370 nan 8.150 nan 0.000 0.488 348 K N 1.216 121.504 120.400 -0.188 0.000 2.310 348 K HA 0.414 4.735 4.320 0.002 0.000 0.290 348 K C -1.005 175.429 176.600 -0.277 0.000 1.077 348 K CA 0.015 56.066 56.287 -0.393 0.000 0.922 348 K CB 1.069 32.964 32.500 -1.008 0.000 1.057 348 K HN 0.319 nan 8.250 nan 0.000 0.479 349 V N 4.331 124.221 119.914 -0.040 0.000 2.333 349 V HA 0.144 4.265 4.120 0.002 0.000 0.274 349 V C -0.101 176.114 176.094 0.201 0.000 1.028 349 V CA -1.055 61.287 62.300 0.069 0.000 0.851 349 V CB 1.302 33.189 31.823 0.107 0.000 1.000 349 V HN 0.434 nan 8.190 nan 0.000 0.456 350 V N 6.371 126.424 119.914 0.232 0.000 2.405 350 V HA 0.142 4.263 4.120 0.002 0.000 0.264 350 V C 0.280 176.467 176.094 0.156 0.000 1.048 350 V CA -0.170 62.305 62.300 0.291 0.000 0.966 350 V CB 1.331 33.338 31.823 0.306 0.000 1.015 350 V HN 0.635 nan 8.190 nan 0.000 0.477 351 V N 6.349 126.342 119.914 0.130 0.000 2.320 351 V HA 0.217 4.338 4.120 0.002 0.000 0.265 351 V C 0.630 176.751 176.094 0.045 0.000 1.048 351 V CA -0.488 61.855 62.300 0.072 0.000 0.865 351 V CB 0.818 32.674 31.823 0.054 0.000 1.043 351 V HN 0.912 nan 8.190 nan 0.000 0.474 352 N N 4.510 123.241 118.700 0.052 0.000 2.514 352 N HA 0.153 4.894 4.740 0.002 0.000 0.277 352 N C -1.161 174.369 175.510 0.034 0.000 1.126 352 N CA 0.034 53.113 53.050 0.047 0.000 0.978 352 N CB 1.338 39.864 38.487 0.065 0.000 1.106 352 N HN 0.775 nan 8.380 nan 0.000 0.461 353 D N 3.128 123.539 120.400 0.018 0.000 2.886 353 D HA 0.031 4.672 4.640 0.002 0.000 0.216 353 D C 0.725 177.036 176.300 0.019 0.000 1.256 353 D CA -0.529 53.486 54.000 0.024 0.000 0.844 353 D CB 0.932 41.710 40.800 -0.037 0.000 1.669 353 D HN 0.453 nan 8.370 nan 0.000 0.513 354 F N 3.935 123.863 119.950 -0.037 0.000 2.134 354 F HA 0.042 4.570 4.527 0.002 0.000 0.299 354 F C 1.698 177.467 175.800 -0.050 0.000 1.097 354 F CA 1.024 59.001 58.000 -0.040 0.000 1.264 354 F CB -0.008 38.975 39.000 -0.029 0.000 1.001 354 F HN 0.154 nan 8.300 nan 0.000 0.479 355 K N -0.556 119.185 120.400 -1.099 0.000 2.017 355 K HA -0.011 4.310 4.320 0.002 0.000 0.207 355 K C -0.373 175.991 176.600 -0.393 0.000 1.035 355 K CA 1.282 57.057 56.287 -0.853 0.000 0.947 355 K CB -0.128 31.848 32.500 -0.875 0.000 0.749 355 K HN 0.178 nan 8.250 nan 0.000 0.443 356 D N -2.055 118.168 120.400 -0.294 0.000 2.591 356 D HA 0.266 4.907 4.640 0.002 0.000 0.222 356 D C -0.964 175.254 176.300 -0.137 0.000 1.360 356 D CA -0.242 53.644 54.000 -0.191 0.000 0.967 356 D CB 1.741 42.440 40.800 -0.168 0.000 1.456 356 D HN 0.122 nan 8.370 nan 0.000 0.588 357 A N 2.468 125.213 122.820 -0.126 0.000 2.220 357 A HA 0.108 4.429 4.320 0.002 0.000 0.211 357 A C 1.829 179.358 177.584 -0.091 0.000 1.176 357 A CA 0.604 52.585 52.037 -0.094 0.000 0.834 357 A CB 0.033 18.976 19.000 -0.096 0.000 0.868 357 A HN 0.543 nan 8.150 nan 0.000 0.488 358 T N 0.079 114.568 114.554 -0.110 0.000 2.684 358 T HA -0.170 4.181 4.350 0.002 0.000 0.267 358 T C 2.020 176.680 174.700 -0.066 0.000 1.036 358 T CA 1.832 63.871 62.100 -0.101 0.000 1.148 358 T CB -0.134 68.670 68.868 -0.107 0.000 0.863 358 T HN 0.491 nan 8.240 nan 0.000 0.436 359 K N 0.007 120.372 120.400 -0.058 0.000 2.097 359 K HA -0.079 4.242 4.320 0.002 0.000 0.205 359 K C 2.446 179.033 176.600 -0.022 0.000 1.050 359 K CA 1.277 57.540 56.287 -0.040 0.000 0.938 359 K CB -0.180 32.294 32.500 -0.042 0.000 0.718 359 K HN 0.275 nan 8.250 nan 0.000 0.442 360 T N 0.798 115.341 114.554 -0.018 0.000 2.737 360 T HA -0.106 4.245 4.350 0.002 0.000 0.265 360 T C 1.888 176.598 174.700 0.017 0.000 1.038 360 T CA 1.189 63.294 62.100 0.008 0.000 1.144 360 T CB -0.125 68.753 68.868 0.017 0.000 0.866 360 T HN -0.041 nan 8.240 nan 0.000 0.434 361 V N 2.092 122.008 119.914 0.003 0.000 2.295 361 V HA -0.188 3.934 4.120 0.002 0.000 0.246 361 V C 2.371 178.474 176.094 0.014 0.000 1.049 361 V CA 1.811 64.121 62.300 0.015 0.000 1.024 361 V CB -0.574 31.238 31.823 -0.018 0.000 0.648 361 V HN 0.428 nan 8.190 nan 0.000 0.447 362 D N -0.235 120.161 120.400 -0.006 0.000 2.097 362 D HA -0.170 4.471 4.640 0.002 0.000 0.195 362 D C 2.230 178.532 176.300 0.003 0.000 0.989 362 D CA 1.360 55.357 54.000 -0.005 0.000 0.827 362 D CB -0.219 40.571 40.800 -0.017 0.000 0.966 362 D HN 0.536 nan 8.370 nan 0.000 0.456 363 E N 0.103 120.305 120.200 0.004 0.000 2.110 363 E HA -0.106 4.245 4.350 0.002 0.000 0.193 363 E C 2.331 178.938 176.600 0.013 0.000 0.988 363 E CA 0.346 56.751 56.400 0.007 0.000 0.804 363 E CB 0.014 29.720 29.700 0.010 0.000 0.745 363 E HN 0.309 nan 8.360 nan 0.000 0.458 364 I N 0.872 121.458 120.570 0.027 0.000 2.226 364 I HA -0.281 3.890 4.170 0.002 0.000 0.245 364 I C 2.127 178.260 176.117 0.026 0.000 1.100 364 I CA 1.291 62.612 61.300 0.036 0.000 1.374 364 I CB -0.124 37.915 38.000 0.064 0.000 1.057 364 I HN 0.024 nan 8.210 nan 0.000 0.413 365 K N 0.685 121.103 120.400 0.030 0.000 2.228 365 K HA 0.023 4.344 4.320 0.002 0.000 0.202 365 K C 2.122 178.729 176.600 0.012 0.000 1.051 365 K CA 1.011 57.316 56.287 0.030 0.000 0.960 365 K CB -0.107 32.418 32.500 0.042 0.000 0.743 365 K HN 0.239 nan 8.250 nan 0.000 0.458 366 A N 1.157 123.980 122.820 0.005 0.000 2.070 366 A HA -0.038 4.283 4.320 0.002 0.000 0.220 366 A C 2.033 179.608 177.584 -0.014 0.000 1.159 366 A CA 1.617 53.651 52.037 -0.005 0.000 0.656 366 A CB -0.338 18.658 19.000 -0.007 0.000 0.800 366 A HN 0.284 nan 8.150 nan 0.000 0.453 367 A N -1.843 120.967 122.820 -0.018 0.000 2.379 367 A HA 0.455 4.776 4.320 0.002 0.000 0.236 367 A C 1.580 179.142 177.584 -0.037 0.000 1.272 367 A CA 0.958 52.974 52.037 -0.035 0.000 0.886 367 A CB -0.837 18.133 19.000 -0.049 0.000 0.962 367 A HN 1.778 nan 8.150 nan 0.000 0.504 368 G N -1.657 107.130 108.800 -0.020 0.000 2.143 368 G HA2 -0.046 3.915 3.960 0.002 0.000 0.249 368 G HA3 -0.046 3.915 3.960 0.002 0.000 0.249 368 G C 0.663 175.555 174.900 -0.014 0.000 0.981 368 G CA 0.293 45.382 45.100 -0.019 0.000 0.665 368 G HN 1.353 nan 8.290 nan 0.000 0.528 369 G N -0.772 108.026 108.800 -0.004 0.000 2.522 369 G HA2 0.622 4.583 3.960 0.002 0.000 0.304 369 G HA3 0.622 4.583 3.960 0.002 0.000 0.304 369 G C -0.481 174.441 174.900 0.037 0.000 1.210 369 G CA 0.183 45.289 45.100 0.009 0.000 0.960 369 G HN 0.498 nan 8.290 nan 0.000 0.497 370 E N -0.714 119.513 120.200 0.045 0.000 2.158 370 E HA 0.654 5.006 4.350 0.002 0.000 0.271 370 E C -0.392 176.280 176.600 0.119 0.000 0.911 370 E CA -0.544 55.907 56.400 0.084 0.000 0.767 370 E CB 1.245 30.977 29.700 0.053 0.000 1.120 370 E HN 0.743 nan 8.360 nan 0.000 0.405 371 A N 4.553 127.497 122.820 0.206 0.000 2.594 371 A HA 0.756 5.077 4.320 0.002 0.000 0.291 371 A C -1.888 175.944 177.584 0.413 0.000 1.105 371 A CA -0.852 51.346 52.037 0.268 0.000 0.694 371 A CB 1.275 20.375 19.000 0.167 0.000 1.291 371 A HN 0.594 nan 8.150 nan 0.000 0.410 372 W N 2.300 123.708 121.300 0.181 0.000 3.129 372 W HA 0.529 5.191 4.660 0.003 0.000 0.333 372 W C -3.265 173.291 176.519 0.062 0.000 1.141 372 W CA -2.099 55.308 57.345 0.103 0.000 1.224 372 W CB 2.351 31.845 29.460 0.056 0.000 1.393 372 W HN 0.574 nan 8.180 nan 0.000 0.499 373 P HA 0.179 nan 4.420 nan 0.000 0.278 373 P C -1.092 176.011 177.300 -0.329 0.000 1.238 373 P CA 0.358 63.221 63.100 -0.394 0.000 0.794 373 P CB 2.053 33.469 31.700 -0.472 0.000 0.955 374 D N 1.501 121.828 120.400 -0.121 0.000 2.934 374 D HA 0.135 4.777 4.640 0.002 0.000 0.230 374 D C -0.623 175.628 176.300 -0.082 0.000 1.204 374 D CA -0.261 53.718 54.000 -0.035 0.000 0.873 374 D CB 1.749 42.630 40.800 0.135 0.000 1.645 374 D HN 0.288 nan 8.370 nan 0.000 0.502 375 Q N 2.152 121.824 119.800 -0.212 0.000 2.129 375 Q HA 0.144 4.485 4.340 0.002 0.000 0.274 375 Q C -0.618 175.248 176.000 -0.224 0.000 0.854 375 Q CA -0.428 55.251 55.803 -0.207 0.000 1.123 375 Q CB 0.897 29.493 28.738 -0.237 0.000 1.226 375 Q HN 0.431 nan 8.270 nan 0.000 0.454 376 H N 0.361 119.443 119.070 0.019 0.000 2.505 376 H HA 0.176 4.734 4.556 0.002 0.000 0.355 376 H C -0.579 174.781 175.328 0.053 0.000 1.179 376 H CA -0.346 55.721 56.048 0.032 0.000 1.343 376 H CB 0.896 30.671 29.762 0.021 0.000 1.501 376 H HN 0.039 nan 8.280 nan 0.000 0.569 377 D N 0.414 120.920 120.400 0.177 0.000 2.308 377 D HA 0.066 4.707 4.640 0.002 0.000 0.251 377 D C 0.666 177.010 176.300 0.073 0.000 1.127 377 D CA -0.239 53.826 54.000 0.108 0.000 0.876 377 D CB 1.128 41.970 40.800 0.070 0.000 1.176 377 D HN 0.246 nan 8.370 nan 0.000 0.446 378 V N 4.170 124.107 119.914 0.038 0.000 2.244 378 V HA -0.188 3.934 4.120 0.002 0.000 0.244 378 V C 2.362 178.456 176.094 -0.001 0.000 1.042 378 V CA 2.002 64.311 62.300 0.015 0.000 1.006 378 V CB -1.078 30.741 31.823 -0.006 0.000 0.641 378 V HN 0.788 nan 8.190 nan 0.000 0.446 379 A N -0.214 122.600 122.820 -0.009 0.000 1.892 379 A HA -0.324 3.997 4.320 0.002 0.000 0.218 379 A C 2.308 179.898 177.584 0.010 0.000 1.188 379 A CA 2.600 54.637 52.037 -0.000 0.000 0.631 379 A CB -0.535 18.463 19.000 -0.005 0.000 0.822 379 A HN 0.539 nan 8.150 nan 0.000 0.447 380 K N -1.268 119.141 120.400 0.014 0.000 2.076 380 K HA -0.041 4.280 4.320 0.002 0.000 0.204 380 K C 0.181 176.790 176.600 0.015 0.000 1.051 380 K CA 1.344 57.644 56.287 0.021 0.000 0.949 380 K CB 0.154 32.673 32.500 0.031 0.000 0.726 380 K HN 0.358 nan 8.250 nan 0.000 0.443 381 D N -0.478 119.930 120.400 0.014 0.000 2.696 381 D HA 0.131 4.772 4.640 0.002 0.000 0.269 381 D C 0.332 176.598 176.300 -0.057 0.000 1.319 381 D CA 0.081 54.071 54.000 -0.016 0.000 0.826 381 D CB 1.027 41.838 40.800 0.018 0.000 1.086 381 D HN -0.074 nan 8.370 nan 0.000 0.481 382 S N 0.650 116.323 115.700 -0.045 0.000 2.402 382 S HA -0.206 4.265 4.470 0.002 0.000 0.233 382 S C 1.832 176.383 174.600 -0.082 0.000 1.030 382 S CA 1.115 59.276 58.200 -0.063 0.000 1.003 382 S CB 0.204 63.359 63.200 -0.076 0.000 0.813 382 S HN 0.413 nan 8.310 nan 0.000 0.477 383 E N 0.756 120.909 120.200 -0.077 0.000 2.031 383 E HA -0.138 4.213 4.350 0.002 0.000 0.193 383 E C 2.219 178.751 176.600 -0.114 0.000 0.994 383 E CA 1.048 57.404 56.400 -0.073 0.000 0.800 383 E CB -0.233 29.436 29.700 -0.052 0.000 0.752 383 E HN 0.505 nan 8.360 nan 0.000 0.447 384 A N 0.518 123.226 122.820 -0.186 0.000 2.019 384 A HA -0.148 4.173 4.320 0.002 0.000 0.219 384 A C 2.052 179.409 177.584 -0.378 0.000 1.164 384 A CA 1.008 52.841 52.037 -0.339 0.000 0.644 384 A CB -0.493 18.162 19.000 -0.576 0.000 0.805 384 A HN 0.275 nan 8.150 nan 0.000 0.449 385 I N -0.457 119.963 120.570 -0.250 0.000 2.333 385 I HA -0.154 4.018 4.170 0.002 0.000 0.246 385 I C 2.023 178.100 176.117 -0.065 0.000 1.106 385 I CA 0.589 61.834 61.300 -0.092 0.000 1.411 385 I CB -0.203 37.788 38.000 -0.015 0.000 1.082 385 I HN 0.197 nan 8.210 nan 0.000 0.420 386 I N 1.129 121.643 120.570 -0.093 0.000 2.315 386 I HA -0.254 3.917 4.170 0.002 0.000 0.248 386 I C 2.495 178.538 176.117 -0.124 0.000 1.117 386 I CA 1.510 62.740 61.300 -0.118 0.000 1.404 386 I CB -1.067 36.875 38.000 -0.096 0.000 1.071 386 I HN 0.263 nan 8.210 nan 0.000 0.419 387 K N 0.983 121.331 120.400 -0.087 0.000 2.057 387 K HA -0.238 4.083 4.320 0.002 0.000 0.207 387 K C 2.025 178.589 176.600 -0.060 0.000 1.049 387 K CA 1.636 57.884 56.287 -0.066 0.000 0.931 387 K CB -0.086 32.384 32.500 -0.050 0.000 0.714 387 K HN 0.123 nan 8.250 nan 0.000 0.440 388 N N 0.620 119.304 118.700 -0.027 0.000 2.061 388 N HA -0.168 4.573 4.740 0.002 0.000 0.193 388 N C 1.607 177.117 175.510 0.000 0.000 1.030 388 N CA 1.754 54.842 53.050 0.064 0.000 0.856 388 N CB -0.347 38.251 38.487 0.186 0.000 1.023 388 N HN 0.046 nan 8.380 nan 0.000 0.424 389 V N 1.080 120.983 119.914 -0.018 0.000 2.287 389 V HA -0.206 3.915 4.120 0.002 0.000 0.248 389 V C 2.327 178.338 176.094 -0.138 0.000 1.053 389 V CA 1.278 63.552 62.300 -0.044 0.000 1.027 389 V CB -0.447 31.351 31.823 -0.041 0.000 0.646 389 V HN 0.310 nan 8.190 nan 0.000 0.447 390 I N 0.108 120.571 120.570 -0.178 0.000 2.202 390 I HA -0.156 4.015 4.170 0.002 0.000 0.242 390 I C 2.324 178.346 176.117 -0.158 0.000 1.091 390 I CA 1.457 62.645 61.300 -0.187 0.000 1.368 390 I CB -1.444 36.428 38.000 -0.213 0.000 1.058 390 I HN 0.316 nan 8.210 nan 0.000 0.410 391 D N 1.051 121.359 120.400 -0.154 0.000 2.149 391 D HA -0.241 4.400 4.640 0.002 0.000 0.194 391 D C 2.142 178.260 176.300 -0.303 0.000 1.001 391 D CA 1.575 55.472 54.000 -0.172 0.000 0.849 391 D CB -0.031 40.692 40.800 -0.128 0.000 0.939 391 D HN 0.205 nan 8.370 nan 0.000 0.449 392 K N -0.471 119.639 120.400 -0.483 0.000 2.029 392 K HA -0.003 4.318 4.320 0.002 0.000 0.205 392 K C 1.546 177.725 176.600 -0.702 0.000 1.042 392 K CA 1.138 56.895 56.287 -0.885 0.000 0.949 392 K CB -0.428 31.113 32.500 -1.598 0.000 0.740 392 K HN 0.268 nan 8.250 nan 0.000 0.442 393 Y N -1.290 118.858 120.300 -0.255 0.000 2.467 393 Y HA 0.260 4.811 4.550 0.002 0.000 0.250 393 Y C 1.189 177.015 175.900 -0.124 0.000 1.155 393 Y CA -0.161 57.837 58.100 -0.170 0.000 1.249 393 Y CB 1.305 39.685 38.460 -0.132 0.000 1.146 393 Y HN 0.358 nan 8.280 nan 0.000 0.524 394 G N 0.503 109.291 108.800 -0.019 0.000 2.234 394 G HA2 -0.292 3.670 3.960 0.002 0.000 0.260 394 G HA3 -0.292 3.670 3.960 0.002 0.000 0.260 394 G C 0.345 175.229 174.900 -0.026 0.000 0.987 394 G CA 0.687 45.771 45.100 -0.026 0.000 0.625 394 G HN 0.423 nan 8.290 nan 0.000 0.532 395 T N -1.268 113.263 114.554 -0.038 0.000 2.658 395 T HA 0.628 4.979 4.350 0.002 0.000 0.305 395 T C -1.915 172.739 174.700 -0.076 0.000 1.551 395 T CA 0.324 62.386 62.100 -0.063 0.000 0.985 395 T CB 1.509 70.393 68.868 0.028 0.000 1.731 395 T HN 1.349 nan 8.240 nan 0.000 0.486 396 I N 0.972 121.520 120.570 -0.037 0.000 2.692 396 I HA 0.490 4.662 4.170 0.002 0.000 0.293 396 I C -0.764 175.565 176.117 0.353 0.000 1.200 396 I CA -0.512 60.823 61.300 0.057 0.000 1.036 396 I CB 1.972 39.899 38.000 -0.121 0.000 1.258 396 I HN 0.708 nan 8.210 nan 0.000 0.421 397 D N 6.391 127.016 120.400 0.374 0.000 2.531 397 D HA 0.334 4.975 4.640 0.002 0.000 0.263 397 D C -0.112 176.347 176.300 0.265 0.000 1.057 397 D CA 0.750 55.012 54.000 0.436 0.000 0.909 397 D CB 1.424 42.386 40.800 0.269 0.000 1.236 397 D HN 0.295 nan 8.370 nan 0.000 0.494 398 I N 1.677 122.379 120.570 0.220 0.000 2.499 398 I HA 0.239 4.410 4.170 0.002 0.000 0.288 398 I C -1.389 174.787 176.117 0.097 0.000 1.048 398 I CA -0.846 60.501 61.300 0.078 0.000 1.062 398 I CB 2.967 40.990 38.000 0.038 0.000 1.238 398 I HN -0.201 nan 8.210 nan 0.000 0.426 399 L N 8.238 129.525 121.223 0.106 0.000 2.343 399 L HA 0.581 4.922 4.340 0.002 0.000 0.278 399 L C -0.971 175.894 176.870 -0.007 0.000 0.996 399 L CA -0.453 54.438 54.840 0.086 0.000 0.831 399 L CB 1.678 43.867 42.059 0.217 0.000 1.232 399 L HN 0.319 nan 8.230 nan 0.000 0.413 400 V N 4.862 124.728 119.914 -0.081 0.000 2.275 400 V HA 0.357 4.478 4.120 0.002 0.000 0.272 400 V C -0.004 176.080 176.094 -0.017 0.000 1.028 400 V CA -0.564 61.688 62.300 -0.079 0.000 0.810 400 V CB 0.712 32.410 31.823 -0.209 0.000 1.043 400 V HN 0.756 nan 8.190 nan 0.000 0.453 401 N N 3.590 122.300 118.700 0.016 0.000 2.605 401 N HA 0.129 4.870 4.740 0.002 0.000 0.258 401 N C 0.887 176.422 175.510 0.041 0.000 1.156 401 N CA -0.161 52.904 53.050 0.025 0.000 1.008 401 N CB 0.146 38.650 38.487 0.029 0.000 1.354 401 N HN 0.687 nan 8.380 nan 0.000 0.509 402 N N 1.494 120.225 118.700 0.052 0.000 2.250 402 N HA 0.141 4.882 4.740 0.002 0.000 0.190 402 N C -0.017 175.527 175.510 0.057 0.000 1.116 402 N CA -0.289 52.817 53.050 0.093 0.000 0.881 402 N CB 0.427 39.013 38.487 0.164 0.000 1.006 402 N HN 0.443 nan 8.380 nan 0.000 0.491 403 A N -0.063 122.759 122.820 0.003 0.000 2.587 403 A HA 0.483 4.804 4.320 0.002 0.000 0.233 403 A C 0.640 178.111 177.584 -0.188 0.000 1.049 403 A CA 0.759 52.765 52.037 -0.052 0.000 0.754 403 A CB -0.373 18.589 19.000 -0.063 0.000 0.977 403 A HN 0.384 nan 8.150 nan 0.000 0.509 404 G N 0.221 108.915 108.800 -0.176 0.000 2.703 404 G HA2 0.631 4.592 3.960 0.002 0.000 0.294 404 G HA3 0.631 4.592 3.960 0.002 0.000 0.294 404 G C -0.849 173.988 174.900 -0.105 0.000 1.451 404 G CA -0.068 44.867 45.100 -0.275 0.000 0.869 404 G HN 1.582 nan 8.290 nan 0.000 0.516 405 I N -2.130 118.443 120.570 0.005 0.000 3.191 405 I HA 0.869 5.041 4.170 0.002 0.000 0.313 405 I C -1.853 174.365 176.117 0.169 0.000 1.193 405 I CA -1.489 59.846 61.300 0.059 0.000 0.968 405 I CB 2.378 40.353 38.000 -0.041 0.000 1.262 405 I HN 0.374 nan 8.210 nan 0.000 0.456 406 L N 2.618 123.861 121.223 0.034 0.000 2.381 406 L HA 0.607 4.948 4.340 0.002 0.000 0.274 406 L C -0.561 176.295 176.870 -0.025 0.000 0.988 406 L CA -0.298 54.513 54.840 -0.047 0.000 0.824 406 L CB 1.511 43.474 42.059 -0.159 0.000 1.263 406 L HN 0.572 nan 8.230 nan 0.000 0.410 407 R N 1.776 122.270 120.500 -0.011 0.000 2.629 407 R HA 0.364 4.705 4.340 0.002 0.000 0.277 407 R C -1.211 175.105 176.300 0.028 0.000 1.637 407 R CA -0.560 55.547 56.100 0.010 0.000 1.663 407 R CB 0.165 30.476 30.300 0.019 0.000 1.228 407 R HN 0.444 nan 8.270 nan 0.000 0.632 408 D N 1.110 121.517 120.400 0.011 0.000 2.389 408 D HA 0.301 4.942 4.640 0.002 0.000 0.247 408 D C -0.208 176.142 176.300 0.084 0.000 1.128 408 D CA 0.222 54.244 54.000 0.037 0.000 0.884 408 D CB 0.960 41.759 40.800 -0.002 0.000 1.194 408 D HN 0.052 nan 8.370 nan 0.000 0.441 409 R N 0.350 120.929 120.500 0.133 0.000 2.644 409 R HA 0.230 4.571 4.340 0.002 0.000 0.257 409 R C -0.929 175.500 176.300 0.215 0.000 1.082 409 R CA -0.586 55.608 56.100 0.156 0.000 0.927 409 R CB 0.837 31.223 30.300 0.143 0.000 1.258 409 R HN 0.421 nan 8.270 nan 0.000 0.459 410 S N 2.709 118.542 115.700 0.221 0.000 2.559 410 S HA -0.010 4.461 4.470 0.002 0.000 0.282 410 S C 1.004 175.747 174.600 0.238 0.000 1.336 410 S CA -0.189 58.168 58.200 0.262 0.000 1.037 410 S CB 0.240 63.583 63.200 0.239 0.000 0.853 410 S HN 0.530 nan 8.310 nan 0.000 0.523 411 F N 2.367 122.340 119.950 0.038 0.000 2.216 411 F HA 0.050 4.578 4.527 0.002 0.000 0.300 411 F C 2.386 178.057 175.800 -0.214 0.000 1.085 411 F CA 0.964 58.878 58.000 -0.143 0.000 1.326 411 F CB -1.104 37.593 39.000 -0.506 0.000 1.027 411 F HN 0.793 nan 8.300 nan 0.000 0.497 412 A N -0.252 122.498 122.820 -0.116 0.000 1.972 412 A HA -0.174 4.147 4.320 0.002 0.000 0.219 412 A C 2.105 179.661 177.584 -0.047 0.000 1.169 412 A CA 1.739 53.771 52.037 -0.008 0.000 0.635 412 A CB -0.455 18.685 19.000 0.234 0.000 0.810 412 A HN 0.456 nan 8.150 nan 0.000 0.446 413 K N -1.588 118.817 120.400 0.008 0.000 2.355 413 K HA 0.297 4.618 4.320 0.002 0.000 0.198 413 K C 0.434 177.057 176.600 0.039 0.000 1.039 413 K CA -0.291 56.010 56.287 0.025 0.000 1.075 413 K CB 0.233 32.770 32.500 0.062 0.000 0.870 413 K HN 0.514 nan 8.250 nan 0.000 0.540 414 M N 2.574 122.205 119.600 0.052 0.000 2.269 414 M HA -0.029 4.452 4.480 0.002 0.000 0.350 414 M C 0.155 176.549 176.300 0.157 0.000 1.429 414 M CA 0.218 55.606 55.300 0.147 0.000 1.063 414 M CB 0.512 33.281 32.600 0.282 0.000 1.841 414 M HN 0.073 nan 8.290 nan 0.000 0.455 415 S N 4.234 120.029 115.700 0.158 0.000 2.693 415 S HA 0.280 4.751 4.470 0.002 0.000 0.276 415 S C 0.785 175.524 174.600 0.231 0.000 1.192 415 S CA -0.764 57.526 58.200 0.151 0.000 0.994 415 S CB 1.494 64.751 63.200 0.096 0.000 1.012 415 S HN 0.917 nan 8.310 nan 0.000 0.550 416 K N -0.105 120.427 120.400 0.220 0.000 2.097 416 K HA -0.172 4.149 4.320 0.002 0.000 0.206 416 K C 2.207 178.910 176.600 0.171 0.000 1.049 416 K CA 1.551 57.984 56.287 0.244 0.000 0.933 416 K CB -0.304 32.315 32.500 0.197 0.000 0.717 416 K HN 0.724 nan 8.250 nan 0.000 0.442 417 Q N 1.470 121.341 119.800 0.119 0.000 2.050 417 Q HA -0.173 4.168 4.340 0.002 0.000 0.202 417 Q C 1.422 177.463 176.000 0.068 0.000 0.980 417 Q CA 1.989 57.840 55.803 0.080 0.000 0.840 417 Q CB -0.060 28.713 28.738 0.058 0.000 0.898 417 Q HN 0.341 nan 8.270 nan 0.000 0.424 418 E N -0.724 119.527 120.200 0.085 0.000 2.153 418 E HA -0.180 4.171 4.350 0.002 0.000 0.194 418 E C 1.560 178.188 176.600 0.047 0.000 0.988 418 E CA 0.960 57.402 56.400 0.069 0.000 0.811 418 E CB -0.417 29.341 29.700 0.097 0.000 0.746 418 E HN 0.552 nan 8.360 nan 0.000 0.466 419 W N 1.718 122.920 121.300 -0.164 0.000 2.379 419 W HA -0.158 4.503 4.660 0.002 0.000 0.307 419 W C 0.956 177.333 176.519 -0.237 0.000 1.200 419 W CA 1.295 58.430 57.345 -0.349 0.000 1.297 419 W CB 0.010 28.958 29.460 -0.854 0.000 1.140 419 W HN 0.048 nan 8.180 nan 0.000 0.507 420 D N -0.032 120.351 120.400 -0.028 0.000 2.120 420 D HA -0.152 4.489 4.640 0.002 0.000 0.202 420 D C 2.518 178.761 176.300 -0.095 0.000 0.972 420 D CA 2.284 56.254 54.000 -0.050 0.000 0.837 420 D CB -0.576 40.265 40.800 0.068 0.000 0.989 420 D HN 0.155 nan 8.370 nan 0.000 0.469 421 S N 0.290 115.956 115.700 -0.057 0.000 2.368 421 S HA -0.130 4.342 4.470 0.002 0.000 0.225 421 S C 2.272 176.833 174.600 -0.064 0.000 1.030 421 S CA 0.983 59.150 58.200 -0.055 0.000 0.999 421 S CB -0.814 62.360 63.200 -0.043 0.000 0.844 421 S HN 0.065 nan 8.310 nan 0.000 0.459 422 V N 2.386 122.254 119.914 -0.076 0.000 2.287 422 V HA -0.238 3.883 4.120 0.002 0.000 0.248 422 V C 2.991 179.066 176.094 -0.032 0.000 1.053 422 V CA 2.345 64.640 62.300 -0.009 0.000 1.027 422 V CB -0.988 30.787 31.823 -0.080 0.000 0.646 422 V HN 0.630 nan 8.190 nan 0.000 0.447 423 Q N -0.810 118.853 119.800 -0.227 0.000 2.124 423 Q HA -0.306 4.035 4.340 0.002 0.000 0.202 423 Q C 2.313 178.270 176.000 -0.070 0.000 0.977 423 Q CA 2.015 57.681 55.803 -0.228 0.000 0.850 423 Q CB -0.039 28.481 28.738 -0.363 0.000 0.901 423 Q HN 0.607 nan 8.270 nan 0.000 0.429 424 Q N -0.509 119.257 119.800 -0.056 0.000 2.079 424 Q HA -0.098 4.244 4.340 0.002 0.000 0.200 424 Q C 1.918 177.901 176.000 -0.028 0.000 0.974 424 Q CA 1.576 57.366 55.803 -0.021 0.000 0.840 424 Q CB -0.001 28.721 28.738 -0.027 0.000 0.898 424 Q HN 0.278 nan 8.270 nan 0.000 0.430 425 V N -0.014 119.863 119.914 -0.062 0.000 2.283 425 V HA -0.236 3.885 4.120 0.002 0.000 0.243 425 V C 2.146 178.152 176.094 -0.148 0.000 1.039 425 V CA 1.978 64.195 62.300 -0.139 0.000 1.016 425 V CB -0.626 31.056 31.823 -0.235 0.000 0.650 425 V HN 0.481 nan 8.190 nan 0.000 0.449 426 H N -1.188 117.852 119.070 -0.049 0.000 2.317 426 H HA -0.012 4.545 4.556 0.002 0.000 0.304 426 H C 2.081 177.391 175.328 -0.031 0.000 1.067 426 H CA 1.925 57.945 56.048 -0.046 0.000 1.352 426 H CB 0.137 29.844 29.762 -0.092 0.000 1.398 426 H HN 0.267 nan 8.280 nan 0.000 0.510 427 L N 0.529 121.813 121.223 0.102 0.000 2.189 427 L HA -0.025 4.316 4.340 0.002 0.000 0.199 427 L C 2.140 179.099 176.870 0.148 0.000 1.074 427 L CA 0.833 55.736 54.840 0.104 0.000 0.783 427 L CB -0.415 41.683 42.059 0.065 0.000 0.955 427 L HN 0.025 nan 8.230 nan 0.000 0.460 428 I N 0.034 120.688 120.570 0.140 0.000 2.202 428 I HA -0.110 4.061 4.170 0.002 0.000 0.242 428 I C 2.554 178.716 176.117 0.074 0.000 1.091 428 I CA 1.444 62.843 61.300 0.165 0.000 1.368 428 I CB -2.307 35.779 38.000 0.143 0.000 1.058 428 I HN 0.364 nan 8.210 nan 0.000 0.410 429 G N 0.287 109.106 108.800 0.032 0.000 2.418 429 G HA2 -0.219 3.742 3.960 0.002 0.000 0.217 429 G HA3 -0.219 3.742 3.960 0.002 0.000 0.217 429 G C 1.694 176.581 174.900 -0.022 0.000 1.158 429 G CA 1.333 46.429 45.100 -0.007 0.000 0.771 429 G HN 0.325 nan 8.290 nan 0.000 0.545 430 T N 0.643 115.198 114.554 0.001 0.000 2.746 430 T HA -0.123 4.229 4.350 0.002 0.000 0.267 430 T C 1.890 176.567 174.700 -0.038 0.000 1.039 430 T CA 1.217 63.317 62.100 0.001 0.000 1.142 430 T CB -0.252 68.640 68.868 0.040 0.000 0.866 430 T HN 0.280 nan 8.240 nan 0.000 0.444 431 F N 2.816 122.636 119.950 -0.217 0.000 2.084 431 F HA -0.070 4.458 4.527 0.002 0.000 0.296 431 F C 2.026 177.648 175.800 -0.296 0.000 1.111 431 F CA 1.136 58.901 58.000 -0.391 0.000 1.224 431 F CB -0.533 37.863 39.000 -1.007 0.000 0.991 431 F HN 0.014 nan 8.300 nan 0.000 0.471 432 N N 0.797 119.267 118.700 -0.383 0.000 2.104 432 N HA -0.179 4.563 4.740 0.002 0.000 0.190 432 N C 1.853 177.177 175.510 -0.311 0.000 1.024 432 N CA 1.516 54.350 53.050 -0.360 0.000 0.853 432 N CB -0.865 37.565 38.487 -0.095 0.000 1.008 432 N HN 0.325 nan 8.380 nan 0.000 0.424 433 L N 0.888 121.990 121.223 -0.202 0.000 2.017 433 L HA -0.015 4.326 4.340 0.002 0.000 0.208 433 L C 2.069 178.841 176.870 -0.163 0.000 1.073 433 L CA 1.554 56.308 54.840 -0.143 0.000 0.745 433 L CB -1.023 40.990 42.059 -0.076 0.000 0.894 433 L HN 0.021 nan 8.230 nan 0.000 0.432 434 S N -0.644 114.945 115.700 -0.185 0.000 2.383 434 S HA -0.234 4.237 4.470 0.002 0.000 0.229 434 S C 2.079 176.596 174.600 -0.140 0.000 1.030 434 S CA 1.466 59.609 58.200 -0.096 0.000 1.002 434 S CB -0.401 62.755 63.200 -0.073 0.000 0.829 434 S HN 0.454 nan 8.310 nan 0.000 0.467 435 R N 0.602 120.839 120.500 -0.439 0.000 2.115 435 R HA 0.051 4.392 4.340 0.002 0.000 0.230 435 R C 1.779 177.976 176.300 -0.173 0.000 1.111 435 R CA 1.006 56.832 56.100 -0.458 0.000 0.976 435 R CB -0.134 29.651 30.300 -0.859 0.000 0.870 435 R HN 0.369 nan 8.270 nan 0.000 0.445 436 L N -0.434 120.701 121.223 -0.147 0.000 2.354 436 L HA 0.195 4.536 4.340 0.002 0.000 0.212 436 L C 2.478 179.352 176.870 0.007 0.000 1.091 436 L CA 0.535 55.344 54.840 -0.052 0.000 0.828 436 L CB -0.128 41.892 42.059 -0.065 0.000 0.973 436 L HN 0.203 nan 8.230 nan 0.000 0.461 437 A N -0.104 122.663 122.820 -0.089 0.000 1.969 437 A HA -0.246 4.075 4.320 0.002 0.000 0.218 437 A C 2.122 179.509 177.584 -0.328 0.000 1.169 437 A CA 1.014 52.874 52.037 -0.295 0.000 0.635 437 A CB -0.852 17.879 19.000 -0.448 0.000 0.810 437 A HN 0.640 nan 8.150 nan 0.000 0.445 438 W N 1.781 122.927 121.300 -0.257 0.000 2.317 438 W HA -0.157 4.504 4.660 0.002 0.000 0.318 438 W C -1.110 175.377 176.519 -0.054 0.000 1.227 438 W CA 2.644 59.930 57.345 -0.099 0.000 1.269 438 W CB -1.097 28.331 29.460 -0.054 0.000 1.155 438 W HN 0.315 nan 8.180 nan 0.000 0.484 439 P HA -0.212 nan 4.420 nan 0.000 0.220 439 P C 1.039 178.229 177.300 -0.183 0.000 1.148 439 P CA 1.756 64.823 63.100 -0.055 0.000 0.803 439 P CB -0.580 31.042 31.700 -0.129 0.000 0.782 440 Y N -1.299 118.917 120.300 -0.139 0.000 2.163 440 Y HA -0.141 4.410 4.550 0.002 0.000 0.288 440 Y C 2.485 178.374 175.900 -0.018 0.000 1.136 440 Y CA 1.074 59.103 58.100 -0.117 0.000 1.147 440 Y CB -1.188 37.152 38.460 -0.200 0.000 0.987 440 Y HN -0.193 nan 8.280 nan 0.000 0.509 441 F N -0.407 119.558 119.950 0.025 0.000 2.095 441 F HA -0.228 4.300 4.527 0.002 0.000 0.298 441 F C 2.560 178.244 175.800 -0.194 0.000 1.104 441 F CA 1.217 59.144 58.000 -0.122 0.000 1.232 441 F CB -1.568 37.244 39.000 -0.313 0.000 0.987 441 F HN 0.015 nan 8.300 nan 0.000 0.475 442 V N -1.787 118.066 119.914 -0.101 0.000 2.515 442 V HA -0.148 3.973 4.120 0.002 0.000 0.250 442 V C 2.091 178.165 176.094 -0.033 0.000 1.058 442 V CA 2.003 64.224 62.300 -0.132 0.000 1.064 442 V CB -0.685 31.039 31.823 -0.165 0.000 0.675 442 V HN 0.344 nan 8.190 nan 0.000 0.461 443 E N 2.285 122.476 120.200 -0.016 0.000 2.106 443 E HA -0.222 4.129 4.350 0.002 0.000 0.192 443 E C 2.111 178.729 176.600 0.030 0.000 0.984 443 E CA 1.877 58.274 56.400 -0.005 0.000 0.806 443 E CB -0.046 29.632 29.700 -0.036 0.000 0.750 443 E HN 0.916 nan 8.360 nan 0.000 0.458 444 K N 0.043 120.486 120.400 0.071 0.000 2.358 444 K HA 0.080 4.402 4.320 0.002 0.000 0.197 444 K C 0.184 176.842 176.600 0.097 0.000 1.025 444 K CA -0.155 56.186 56.287 0.090 0.000 1.104 444 K CB 0.261 32.840 32.500 0.131 0.000 0.855 444 K HN -0.094 nan 8.250 nan 0.000 0.531 445 Q N 0.223 120.062 119.800 0.064 0.000 2.439 445 Q HA -0.216 4.126 4.340 0.002 0.000 0.325 445 Q C -1.386 174.680 176.000 0.110 0.000 1.372 445 Q CA 0.880 56.707 55.803 0.040 0.000 0.909 445 Q CB -1.576 27.181 28.738 0.031 0.000 1.167 445 Q HN 0.525 nan 8.270 nan 0.000 0.418 446 F N -1.322 118.580 119.950 -0.079 0.000 2.635 446 F HA 0.648 5.177 4.527 0.002 0.000 0.314 446 F C -0.259 175.362 175.800 -0.298 0.000 1.119 446 F CA 0.251 58.162 58.000 -0.148 0.000 1.000 446 F CB 1.970 40.912 39.000 -0.097 0.000 1.278 446 F HN 0.001 nan 8.300 nan 0.000 0.446 447 G N 4.693 112.734 108.800 -1.264 0.000 2.733 447 G HA2 0.555 4.516 3.960 0.002 0.000 0.297 447 G HA3 0.555 4.516 3.960 0.002 0.000 0.297 447 G C -2.320 171.775 174.900 -1.342 0.000 1.452 447 G CA -1.022 43.056 45.100 -1.702 0.000 0.940 447 G HN 0.488 nan 8.290 nan 0.000 0.547 448 R N 1.835 121.720 120.500 -1.026 0.000 2.468 448 R HA 0.399 4.740 4.340 0.002 0.000 0.302 448 R C -0.750 175.362 176.300 -0.314 0.000 1.041 448 R CA -0.609 55.161 56.100 -0.549 0.000 0.899 448 R CB 1.616 31.702 30.300 -0.358 0.000 1.167 448 R HN 0.519 nan 8.270 nan 0.000 0.483 449 I N 4.445 124.895 120.570 -0.199 0.000 2.359 449 I HA 0.454 4.625 4.170 0.002 0.000 0.294 449 I C 0.248 176.364 176.117 -0.002 0.000 0.987 449 I CA -0.681 60.600 61.300 -0.031 0.000 1.225 449 I CB 1.549 39.596 38.000 0.078 0.000 1.366 449 I HN 0.360 nan 8.210 nan 0.000 0.466 450 I N 6.191 126.771 120.570 0.016 0.000 2.448 450 I HA 0.299 4.471 4.170 0.002 0.000 0.281 450 I C -0.598 175.541 176.117 0.036 0.000 1.027 450 I CA -0.327 60.990 61.300 0.029 0.000 1.111 450 I CB 1.019 39.034 38.000 0.026 0.000 1.236 450 I HN 0.588 nan 8.210 nan 0.000 0.452 451 N N 6.249 124.981 118.700 0.053 0.000 2.443 451 N HA 0.488 5.229 4.740 0.002 0.000 0.295 451 N C -0.800 174.741 175.510 0.051 0.000 1.076 451 N CA -0.808 52.274 53.050 0.054 0.000 0.919 451 N CB 1.953 40.477 38.487 0.061 0.000 1.176 451 N HN 0.332 nan 8.380 nan 0.000 0.487 452 I N 1.854 122.457 120.570 0.055 0.000 2.297 452 I HA 0.150 4.321 4.170 0.002 0.000 0.291 452 I C 1.044 177.189 176.117 0.046 0.000 1.033 452 I CA 0.124 61.461 61.300 0.062 0.000 1.253 452 I CB 0.273 38.331 38.000 0.097 0.000 1.396 452 I HN 0.565 nan 8.210 nan 0.000 0.476 453 T N 4.171 118.734 114.554 0.015 0.000 2.946 453 T HA 0.568 4.919 4.350 0.002 0.000 0.295 453 T C -0.146 174.525 174.700 -0.048 0.000 1.143 453 T CA -0.259 61.812 62.100 -0.050 0.000 0.944 453 T CB 1.299 70.124 68.868 -0.072 0.000 1.800 453 T HN 0.604 nan 8.240 nan 0.000 0.590 454 S N -1.365 114.275 115.700 -0.100 0.000 2.543 454 S HA 0.383 4.854 4.470 0.002 0.000 0.274 454 S C 0.966 175.533 174.600 -0.056 0.000 1.149 454 S CA 0.086 58.264 58.200 -0.036 0.000 0.866 454 S CB 1.045 64.198 63.200 -0.078 0.000 1.111 454 S HN 0.909 nan 8.310 nan 0.000 0.457 455 T N 0.531 115.117 114.554 0.053 0.000 2.915 455 T HA -0.064 4.287 4.350 0.002 0.000 0.269 455 T C 1.944 176.703 174.700 0.098 0.000 1.071 455 T CA 1.722 63.881 62.100 0.097 0.000 1.132 455 T CB -0.424 68.588 68.868 0.240 0.000 0.878 455 T HN 0.484 nan 8.240 nan 0.000 0.479 456 S N 1.153 116.917 115.700 0.108 0.000 2.402 456 S HA 0.071 4.543 4.470 0.002 0.000 0.229 456 S C 2.294 176.904 174.600 0.016 0.000 1.021 456 S CA 1.249 59.522 58.200 0.121 0.000 0.974 456 S CB -1.037 62.330 63.200 0.279 0.000 0.800 456 S HN 0.707 nan 8.310 nan 0.000 0.484 457 G N 1.153 109.879 108.800 -0.124 0.000 2.394 457 G HA2 0.009 3.970 3.960 0.002 0.000 0.215 457 G HA3 0.009 3.970 3.960 0.002 0.000 0.215 457 G C 1.382 176.200 174.900 -0.137 0.000 1.165 457 G CA 0.704 45.714 45.100 -0.151 0.000 0.784 457 G HN 0.555 nan 8.290 nan 0.000 0.535 458 I N -0.889 119.472 120.570 -0.348 0.000 2.162 458 I HA -0.072 4.099 4.170 0.002 0.000 0.238 458 I C 2.139 177.816 176.117 -0.733 0.000 1.076 458 I CA 1.017 61.818 61.300 -0.832 0.000 1.353 458 I CB -0.160 36.964 38.000 -1.460 0.000 1.063 458 I HN 0.154 nan 8.210 nan 0.000 0.408 459 Y N 0.936 121.124 120.300 -0.186 0.000 2.482 459 Y HA 0.364 4.915 4.550 0.002 0.000 0.270 459 Y C 1.360 177.359 175.900 0.165 0.000 1.152 459 Y CA 0.136 58.249 58.100 0.021 0.000 1.292 459 Y CB -0.191 38.242 38.460 -0.045 0.000 1.070 459 Y HN 0.248 nan 8.280 nan 0.000 0.528 460 G N 1.634 110.577 108.800 0.240 0.000 2.819 460 G HA2 -0.272 3.690 3.960 0.002 0.000 0.682 460 G HA3 -0.272 3.690 3.960 0.002 0.000 0.682 460 G C -0.847 174.181 174.900 0.213 0.000 1.481 460 G CA -0.187 45.051 45.100 0.231 0.000 0.904 460 G HN 0.427 nan 8.290 nan 0.000 0.563 461 N N -0.600 118.211 118.700 0.186 0.000 2.718 461 N HA 0.383 5.124 4.740 0.002 0.000 0.260 461 N C -0.114 175.473 175.510 0.128 0.000 1.089 461 N CA -0.684 52.440 53.050 0.123 0.000 1.021 461 N CB 0.905 39.434 38.487 0.069 0.000 1.618 461 N HN 1.021 nan 8.380 nan 0.000 0.554 462 F N 2.433 122.474 119.950 0.152 0.000 2.563 462 F HA 0.467 4.995 4.527 0.002 0.000 0.363 462 F C 1.339 177.229 175.800 0.149 0.000 1.123 462 F CA 0.743 58.835 58.000 0.155 0.000 1.307 462 F CB 0.290 39.387 39.000 0.162 0.000 1.115 462 F HN 0.647 nan 8.300 nan 0.000 0.592 463 G N 2.754 111.795 108.800 0.401 0.000 2.176 463 G HA2 -0.265 3.696 3.960 0.002 0.000 0.253 463 G HA3 -0.265 3.696 3.960 0.002 0.000 0.253 463 G C 0.256 175.264 174.900 0.179 0.000 0.979 463 G CA 0.281 45.551 45.100 0.283 0.000 0.641 463 G HN 0.794 nan 8.290 nan 0.000 0.530 464 Q N -0.833 119.077 119.800 0.183 0.000 2.139 464 Q HA 0.582 4.923 4.340 0.002 0.000 0.301 464 Q C 1.830 177.958 176.000 0.214 0.000 0.874 464 Q CA 0.344 56.249 55.803 0.171 0.000 1.116 464 Q CB 0.882 29.708 28.738 0.147 0.000 1.278 464 Q HN 0.581 nan 8.270 nan 0.000 0.426 465 A N 1.538 124.533 122.820 0.291 0.000 1.908 465 A HA -0.267 4.054 4.320 0.002 0.000 0.218 465 A C 1.865 179.619 177.584 0.284 0.000 1.181 465 A CA 2.245 54.511 52.037 0.383 0.000 0.627 465 A CB -0.340 18.988 19.000 0.545 0.000 0.818 465 A HN 0.571 nan 8.150 nan 0.000 0.445 466 N N -1.066 117.718 118.700 0.139 0.000 2.080 466 N HA -0.222 4.519 4.740 0.002 0.000 0.189 466 N C 1.697 176.994 175.510 -0.356 0.000 1.036 466 N CA 1.956 54.748 53.050 -0.429 0.000 0.846 466 N CB -1.105 37.196 38.487 -0.310 0.000 1.015 466 N HN 0.510 nan 8.380 nan 0.000 0.423 467 Y N 1.151 121.295 120.300 -0.260 0.000 2.165 467 Y HA -0.183 4.369 4.550 0.003 0.000 0.286 467 Y C 2.890 178.632 175.900 -0.262 0.000 1.155 467 Y CA 2.057 59.973 58.100 -0.307 0.000 1.164 467 Y CB -0.637 37.696 38.460 -0.211 0.000 0.978 467 Y HN 0.259 nan 8.280 nan 0.000 0.513 468 S N -1.274 114.365 115.700 -0.102 0.000 2.371 468 S HA -0.154 4.317 4.470 0.002 0.000 0.224 468 S C 2.226 176.749 174.600 -0.128 0.000 1.029 468 S CA 1.468 59.604 58.200 -0.107 0.000 0.978 468 S CB -0.748 62.503 63.200 0.084 0.000 0.833 468 S HN 0.519 nan 8.310 nan 0.000 0.466 469 S N 1.381 117.021 115.700 -0.100 0.000 2.370 469 S HA -0.063 4.408 4.470 0.002 0.000 0.226 469 S C 2.184 176.661 174.600 -0.204 0.000 1.033 469 S CA 1.599 59.739 58.200 -0.099 0.000 1.011 469 S CB -0.544 62.547 63.200 -0.182 0.000 0.852 469 S HN 0.648 nan 8.310 nan 0.000 0.457 470 S N 1.120 116.615 115.700 -0.341 0.000 2.357 470 S HA 0.022 4.493 4.470 0.002 0.000 0.221 470 S C 1.894 176.343 174.600 -0.251 0.000 1.031 470 S CA 0.788 58.804 58.200 -0.307 0.000 0.982 470 S CB -0.165 62.814 63.200 -0.369 0.000 0.853 470 S HN 0.284 nan 8.310 nan 0.000 0.458 471 K N 1.968 122.134 120.400 -0.389 0.000 2.209 471 K HA 0.157 4.479 4.320 0.002 0.000 0.204 471 K C 1.998 178.484 176.600 -0.191 0.000 1.048 471 K CA 1.012 57.096 56.287 -0.340 0.000 0.940 471 K CB -0.694 31.461 32.500 -0.575 0.000 0.729 471 K HN 0.374 nan 8.250 nan 0.000 0.451 472 A N 0.582 123.313 122.820 -0.149 0.000 2.016 472 A HA 0.053 4.374 4.320 0.002 0.000 0.217 472 A C 2.386 179.954 177.584 -0.027 0.000 1.162 472 A CA 1.412 53.417 52.037 -0.053 0.000 0.662 472 A CB -0.697 18.311 19.000 0.015 0.000 0.812 472 A HN 0.325 nan 8.150 nan 0.000 0.450 473 G N 0.474 109.242 108.800 -0.052 0.000 2.442 473 G HA2 -0.200 3.761 3.960 0.002 0.000 0.219 473 G HA3 -0.200 3.761 3.960 0.002 0.000 0.219 473 G C 1.357 176.264 174.900 0.012 0.000 1.141 473 G CA 1.160 46.245 45.100 -0.026 0.000 0.763 473 G HN 0.370 nan 8.290 nan 0.000 0.554 474 I N 0.930 121.499 120.570 -0.001 0.000 2.335 474 I HA -0.102 4.069 4.170 0.002 0.000 0.251 474 I C 2.794 178.932 176.117 0.035 0.000 1.129 474 I CA 0.807 62.122 61.300 0.024 0.000 1.402 474 I CB -0.938 37.062 38.000 0.001 0.000 1.069 474 I HN 0.207 nan 8.210 nan 0.000 0.424 475 L N 0.283 121.521 121.223 0.024 0.000 2.017 475 L HA -0.136 4.205 4.340 0.002 0.000 0.208 475 L C 2.709 179.625 176.870 0.078 0.000 1.073 475 L CA 1.733 56.603 54.840 0.051 0.000 0.745 475 L CB -1.356 40.749 42.059 0.076 0.000 0.894 475 L HN 0.267 nan 8.230 nan 0.000 0.432 476 G N 0.191 109.029 108.800 0.064 0.000 2.418 476 G HA2 -0.264 3.697 3.960 0.002 0.000 0.217 476 G HA3 -0.264 3.697 3.960 0.002 0.000 0.217 476 G C 1.576 176.519 174.900 0.072 0.000 1.158 476 G CA 0.726 45.861 45.100 0.058 0.000 0.771 476 G HN 0.190 nan 8.290 nan 0.000 0.545 477 L N 1.407 122.678 121.223 0.079 0.000 1.970 477 L HA -0.044 4.297 4.340 0.002 0.000 0.212 477 L C 2.911 179.839 176.870 0.097 0.000 1.071 477 L CA 2.637 57.541 54.840 0.107 0.000 0.751 477 L CB -1.016 41.127 42.059 0.140 0.000 0.889 477 L HN 0.188 nan 8.230 nan 0.000 0.432 478 S N -0.225 115.531 115.700 0.094 0.000 2.353 478 S HA -0.248 4.223 4.470 0.002 0.000 0.222 478 S C 1.877 176.541 174.600 0.107 0.000 1.035 478 S CA 1.864 60.123 58.200 0.098 0.000 1.025 478 S CB -0.377 62.873 63.200 0.084 0.000 0.902 478 S HN 0.463 nan 8.310 nan 0.000 0.440 479 K N 0.503 120.969 120.400 0.108 0.000 2.063 479 K HA -0.078 4.244 4.320 0.002 0.000 0.208 479 K C 2.373 179.049 176.600 0.127 0.000 1.048 479 K CA 1.620 57.983 56.287 0.127 0.000 0.928 479 K CB -0.479 32.113 32.500 0.153 0.000 0.713 479 K HN 0.273 nan 8.250 nan 0.000 0.442 480 T N 1.351 115.968 114.554 0.106 0.000 2.674 480 T HA -0.114 4.237 4.350 0.002 0.000 0.265 480 T C 1.810 176.545 174.700 0.057 0.000 1.039 480 T CA 1.332 63.478 62.100 0.077 0.000 1.150 480 T CB -0.112 68.781 68.868 0.042 0.000 0.864 480 T HN 0.179 nan 8.240 nan 0.000 0.427 481 M N 0.740 120.375 119.600 0.058 0.000 2.358 481 M HA -0.038 4.443 4.480 0.002 0.000 0.264 481 M C 2.626 179.083 176.300 0.262 0.000 1.064 481 M CA 1.089 56.447 55.300 0.096 0.000 1.093 481 M CB -0.377 32.297 32.600 0.123 0.000 1.401 481 M HN 0.297 nan 8.290 nan 0.000 0.440 482 A N 0.473 123.402 122.820 0.182 0.000 1.929 482 A HA -0.059 4.263 4.320 0.002 0.000 0.216 482 A C 2.007 179.690 177.584 0.164 0.000 1.176 482 A CA 1.047 53.180 52.037 0.161 0.000 0.628 482 A CB -0.572 18.503 19.000 0.125 0.000 0.816 482 A HN 0.409 nan 8.150 nan 0.000 0.444 483 I N -0.320 120.350 120.570 0.168 0.000 2.142 483 I HA -0.248 3.924 4.170 0.002 0.000 0.240 483 I C 2.495 178.759 176.117 0.245 0.000 1.078 483 I CA 1.606 63.022 61.300 0.194 0.000 1.343 483 I CB -0.309 37.814 38.000 0.205 0.000 1.046 483 I HN 0.395 nan 8.210 nan 0.000 0.405 484 E N 0.434 120.761 120.200 0.212 0.000 2.152 484 E HA -0.128 4.223 4.350 0.002 0.000 0.192 484 E C 2.267 179.092 176.600 0.376 0.000 0.983 484 E CA 1.042 57.582 56.400 0.233 0.000 0.818 484 E CB -0.255 29.418 29.700 -0.045 0.000 0.758 484 E HN 0.589 nan 8.360 nan 0.000 0.467 485 G N 1.177 110.214 108.800 0.396 0.000 2.448 485 G HA2 -0.164 3.797 3.960 0.002 0.000 0.218 485 G HA3 -0.164 3.797 3.960 0.002 0.000 0.218 485 G C 1.673 176.607 174.900 0.056 0.000 1.135 485 G CA 0.642 45.850 45.100 0.180 0.000 0.784 485 G HN 0.306 nan 8.290 nan 0.000 0.543 486 A N 2.089 124.968 122.820 0.100 0.000 1.903 486 A HA -0.189 4.132 4.320 0.002 0.000 0.219 486 A C 2.265 179.870 177.584 0.035 0.000 1.191 486 A CA 2.412 54.482 52.037 0.055 0.000 0.638 486 A CB -0.486 18.564 19.000 0.083 0.000 0.823 486 A HN 0.547 nan 8.150 nan 0.000 0.451 487 K N -0.782 119.659 120.400 0.069 0.000 2.211 487 K HA -0.065 4.256 4.320 0.002 0.000 0.203 487 K C 0.622 177.236 176.600 0.024 0.000 1.050 487 K CA 1.647 57.967 56.287 0.055 0.000 0.945 487 K CB -0.395 32.156 32.500 0.085 0.000 0.732 487 K HN 0.505 nan 8.250 nan 0.000 0.451 488 N N 1.448 120.146 118.700 -0.003 0.000 2.295 488 N HA -0.009 4.732 4.740 0.002 0.000 0.221 488 N C -0.763 174.686 175.510 -0.101 0.000 1.129 488 N CA -0.172 52.849 53.050 -0.049 0.000 0.836 488 N CB 0.219 38.657 38.487 -0.082 0.000 1.040 488 N HN 0.260 nan 8.380 nan 0.000 0.494 489 N N 1.019 119.665 118.700 -0.090 0.000 2.725 489 N HA -0.203 4.538 4.740 0.002 0.000 0.251 489 N C -1.410 173.917 175.510 -0.304 0.000 1.031 489 N CA 0.571 53.537 53.050 -0.140 0.000 0.720 489 N CB -1.201 37.245 38.487 -0.068 0.000 0.930 489 N HN 0.330 nan 8.380 nan 0.000 0.543 490 I N 0.680 121.069 120.570 -0.302 0.000 2.354 490 I HA 0.244 4.415 4.170 0.002 0.000 0.286 490 I C 0.161 176.116 176.117 -0.270 0.000 1.007 490 I CA -0.642 60.399 61.300 -0.432 0.000 1.167 490 I CB 1.279 38.956 38.000 -0.538 0.000 1.320 490 I HN 0.011 nan 8.210 nan 0.000 0.458 491 K N 5.833 126.045 120.400 -0.313 0.000 2.221 491 K HA 0.693 5.014 4.320 0.002 0.000 0.258 491 K C -1.118 175.408 176.600 -0.123 0.000 0.944 491 K CA -0.796 55.390 56.287 -0.168 0.000 0.823 491 K CB 3.187 35.583 32.500 -0.174 0.000 1.113 491 K HN 0.350 nan 8.250 nan 0.000 0.431 492 V N 3.194 123.101 119.914 -0.011 0.000 2.569 492 V HA 0.462 4.584 4.120 0.002 0.000 0.301 492 V C -1.514 174.626 176.094 0.077 0.000 1.044 492 V CA -0.519 61.803 62.300 0.037 0.000 0.874 492 V CB 1.525 33.408 31.823 0.100 0.000 1.002 492 V HN 0.766 nan 8.190 nan 0.000 0.424 493 N N 5.255 124.009 118.700 0.091 0.000 2.380 493 N HA 0.698 5.439 4.740 0.002 0.000 0.290 493 N C -1.310 174.290 175.510 0.151 0.000 1.236 493 N CA -0.374 52.773 53.050 0.162 0.000 0.780 493 N CB 2.547 41.193 38.487 0.266 0.000 1.438 493 N HN 0.695 nan 8.380 nan 0.000 0.491 494 I N 0.553 121.227 120.570 0.173 0.000 2.569 494 I HA 0.521 4.692 4.170 0.002 0.000 0.296 494 I C -0.677 175.545 176.117 0.175 0.000 1.028 494 I CA -0.944 60.425 61.300 0.114 0.000 1.082 494 I CB 2.198 40.222 38.000 0.040 0.000 1.264 494 I HN -0.029 nan 8.210 nan 0.000 0.429 495 V N 3.903 123.890 119.914 0.121 0.000 2.668 495 V HA 0.667 4.788 4.120 0.002 0.000 0.304 495 V C -0.289 175.853 176.094 0.080 0.000 1.071 495 V CA -0.617 61.763 62.300 0.133 0.000 0.894 495 V CB 1.853 33.723 31.823 0.080 0.000 1.008 495 V HN 0.844 nan 8.190 nan 0.000 0.425 496 A N 6.499 129.378 122.820 0.098 0.000 2.644 496 A HA 0.832 5.153 4.320 0.002 0.000 0.343 496 A C -2.663 175.009 177.584 0.146 0.000 1.324 496 A CA -1.522 50.572 52.037 0.096 0.000 0.846 496 A CB 0.428 19.469 19.000 0.069 0.000 1.128 496 A HN 0.548 nan 8.150 nan 0.000 0.484 497 P HA 0.267 nan 4.420 nan 0.000 0.278 497 P C -0.878 176.486 177.300 0.107 0.000 1.238 497 P CA 0.063 63.233 63.100 0.117 0.000 0.794 497 P CB 0.764 32.526 31.700 0.104 0.000 0.955 498 H N 1.224 120.231 119.070 -0.106 0.000 2.685 498 H HA 0.691 5.248 4.556 0.002 0.000 0.307 498 H C -1.412 173.778 175.328 -0.229 0.000 1.017 498 H CA -0.451 55.422 56.048 -0.291 0.000 1.237 498 H CB 0.288 29.568 29.762 -0.803 0.000 1.409 498 H HN 0.561 nan 8.280 nan 0.000 0.488 499 A N 4.253 126.829 122.820 -0.407 0.000 2.577 499 A HA 0.525 4.846 4.320 0.002 0.000 0.297 499 A C -1.207 176.245 177.584 -0.221 0.000 1.060 499 A CA -0.860 51.060 52.037 -0.194 0.000 0.697 499 A CB 1.535 20.527 19.000 -0.012 0.000 1.281 499 A HN 0.705 nan 8.150 nan 0.000 0.402 500 E N -0.198 119.915 120.200 -0.145 0.000 2.378 500 E HA 0.737 5.089 4.350 0.002 0.000 0.265 500 E C 0.044 176.556 176.600 -0.147 0.000 0.932 500 E CA -0.516 55.806 56.400 -0.130 0.000 0.795 500 E CB 2.343 31.993 29.700 -0.084 0.000 1.296 500 E HN 0.596 nan 8.360 nan 0.000 0.438 501 T N -0.371 114.105 114.554 -0.131 0.000 3.478 501 T HA 0.403 4.754 4.350 0.002 0.000 0.223 501 T C 0.424 175.058 174.700 -0.110 0.000 0.958 501 T CA 0.571 62.581 62.100 -0.150 0.000 1.324 501 T CB 0.342 69.135 68.868 -0.124 0.000 1.262 501 T HN 0.466 nan 8.240 nan 0.000 0.379 502 A N 0.465 123.241 122.820 -0.073 0.000 2.449 502 A HA 0.613 4.934 4.320 0.002 0.000 0.238 502 A C -0.112 177.452 177.584 -0.034 0.000 1.009 502 A CA -0.450 51.558 52.037 -0.048 0.000 1.136 502 A CB -0.180 18.795 19.000 -0.042 0.000 1.152 502 A HN 0.556 nan 8.150 nan 0.000 0.469 514 N N 1.392 120.080 118.700 -0.022 0.000 2.406 514 N HA 0.140 4.881 4.740 0.002 0.000 0.265 514 N C 0.296 175.747 175.510 -0.099 0.000 1.203 514 N CA -0.311 52.708 53.050 -0.050 0.000 0.945 514 N CB 0.110 38.578 38.487 -0.031 0.000 1.165 514 N HN 0.677 nan 8.380 nan 0.000 0.485 515 L N 2.814 123.855 121.223 -0.303 0.000 2.418 515 L HA 0.016 4.358 4.340 0.002 0.000 0.218 515 L C -0.014 176.510 176.870 -0.575 0.000 1.125 515 L CA 0.553 55.083 54.840 -0.517 0.000 0.835 515 L CB -0.188 41.380 42.059 -0.818 0.000 0.953 515 L HN 0.570 nan 8.230 nan 0.000 0.454 516 Y N -1.467 118.881 120.300 0.081 0.000 2.726 516 Y HA 0.314 4.865 4.550 0.002 0.000 0.367 516 Y C 0.591 176.507 175.900 0.027 0.000 1.038 516 Y CA -0.897 57.238 58.100 0.058 0.000 1.174 516 Y CB -0.249 38.206 38.460 -0.008 0.000 1.265 516 Y HN 0.002 nan 8.280 nan 0.000 0.622 517 H N 0.867 119.997 119.070 0.101 0.000 2.757 517 H HA 0.205 4.763 4.556 0.002 0.000 0.370 517 H C 0.969 176.337 175.328 0.068 0.000 1.172 517 H CA 0.689 56.781 56.048 0.073 0.000 1.426 517 H CB 1.700 31.509 29.762 0.078 0.000 1.438 517 H HN 0.624 nan 8.280 nan 0.000 0.612 518 A N 2.986 125.991 122.820 0.308 0.000 2.067 518 A HA -0.134 4.187 4.320 0.002 0.000 0.219 518 A C 1.819 179.503 177.584 0.167 0.000 1.158 518 A CA 1.284 53.465 52.037 0.240 0.000 0.661 518 A CB -0.117 18.914 19.000 0.052 0.000 0.801 518 A HN 0.706 nan 8.150 nan 0.000 0.452 519 D N -0.313 120.236 120.400 0.249 0.000 2.265 519 D HA -0.119 4.522 4.640 0.002 0.000 0.208 519 D C 1.676 177.799 176.300 -0.295 0.000 0.977 519 D CA 1.198 55.155 54.000 -0.072 0.000 0.871 519 D CB -0.179 40.637 40.800 0.027 0.000 0.925 519 D HN 0.503 nan 8.370 nan 0.000 0.485 520 Q N -0.831 118.945 119.800 -0.040 0.000 2.403 520 Q HA 0.119 4.460 4.340 0.002 0.000 0.203 520 Q C 1.378 177.338 176.000 -0.066 0.000 0.932 520 Q CA 0.082 55.924 55.803 0.064 0.000 0.945 520 Q CB 0.849 29.790 28.738 0.338 0.000 1.045 520 Q HN 0.128 nan 8.270 nan 0.000 0.511 521 V N -1.567 118.216 119.914 -0.219 0.000 3.058 521 V HA 0.140 4.262 4.120 0.002 0.000 0.233 521 V C 1.820 177.621 176.094 -0.488 0.000 1.255 521 V CA 0.898 63.060 62.300 -0.230 0.000 1.267 521 V CB -0.365 31.431 31.823 -0.046 0.000 1.049 521 V HN 0.259 nan 8.190 nan 0.000 0.486 522 A N 1.321 123.772 122.820 -0.615 0.000 1.940 522 A HA -0.213 4.108 4.320 0.002 0.000 0.221 522 A C 0.266 177.269 177.584 -0.967 0.000 1.190 522 A CA 2.749 54.270 52.037 -0.860 0.000 0.647 522 A CB -2.005 16.202 19.000 -1.322 0.000 0.821 522 A HN 0.530 nan 8.150 nan 0.000 0.457 523 P HA -0.156 nan 4.420 nan 0.000 0.215 523 P C 1.700 178.661 177.300 -0.564 0.000 1.157 523 P CA 1.146 63.736 63.100 -0.850 0.000 0.868 523 P CB -0.130 30.930 31.700 -1.067 0.000 0.788 524 L N -0.752 120.166 121.223 -0.508 0.000 2.046 524 L HA -0.140 4.202 4.340 0.002 0.000 0.208 524 L C 2.151 178.846 176.870 -0.291 0.000 1.077 524 L CA 1.771 56.416 54.840 -0.325 0.000 0.747 524 L CB -1.427 40.455 42.059 -0.294 0.000 0.896 524 L HN -0.140 nan 8.230 nan 0.000 0.432 525 L N -0.815 120.194 121.223 -0.356 0.000 2.079 525 L HA -0.190 4.152 4.340 0.002 0.000 0.210 525 L C 2.593 179.279 176.870 -0.307 0.000 1.081 525 L CA 1.454 56.144 54.840 -0.251 0.000 0.752 525 L CB -1.033 40.883 42.059 -0.238 0.000 0.896 525 L HN 0.457 nan 8.230 nan 0.000 0.433 526 V N -3.315 116.251 119.914 -0.580 0.000 2.649 526 V HA -0.210 3.912 4.120 0.002 0.000 0.248 526 V C 2.324 178.177 176.094 -0.401 0.000 1.054 526 V CA 0.690 62.537 62.300 -0.755 0.000 1.073 526 V CB -0.777 30.468 31.823 -0.965 0.000 0.699 526 V HN 0.343 nan 8.190 nan 0.000 0.463 527 Y N 1.419 121.451 120.300 -0.447 0.000 2.181 527 Y HA -0.056 4.495 4.550 0.002 0.000 0.288 527 Y C 2.072 177.783 175.900 -0.315 0.000 1.146 527 Y CA 1.989 59.862 58.100 -0.377 0.000 1.164 527 Y CB -0.335 37.890 38.460 -0.391 0.000 0.982 527 Y HN 0.270 nan 8.280 nan 0.000 0.515 528 L N -0.613 120.399 121.223 -0.351 0.000 2.450 528 L HA -0.152 4.190 4.340 0.002 0.000 0.224 528 L C 2.299 179.024 176.870 -0.242 0.000 1.149 528 L CA 1.103 55.757 54.840 -0.311 0.000 0.816 528 L CB -0.800 41.181 42.059 -0.130 0.000 0.932 528 L HN 0.400 nan 8.230 nan 0.000 0.449 529 G N -0.971 107.727 108.800 -0.170 0.000 2.939 529 G HA2 -0.031 3.930 3.960 0.002 0.000 0.210 529 G HA3 -0.031 3.930 3.960 0.002 0.000 0.210 529 G C 0.795 175.665 174.900 -0.049 0.000 1.160 529 G CA 0.408 45.489 45.100 -0.031 0.000 0.770 529 G HN 0.370 nan 8.290 nan 0.000 0.543 530 T N -1.484 112.940 114.554 -0.217 0.000 2.828 530 T HA 0.203 4.554 4.350 0.002 0.000 0.290 530 T C 0.810 175.471 174.700 -0.064 0.000 1.019 530 T CA -0.158 61.846 62.100 -0.159 0.000 1.031 530 T CB 1.436 70.127 68.868 -0.294 0.000 1.001 530 T HN -0.098 nan 8.240 nan 0.000 0.531 531 D N 0.533 120.957 120.400 0.040 0.000 2.123 531 D HA -0.082 4.560 4.640 0.002 0.000 0.196 531 D C 1.146 177.441 176.300 -0.009 0.000 0.992 531 D CA 1.328 55.400 54.000 0.121 0.000 0.833 531 D CB -0.152 40.678 40.800 0.051 0.000 0.954 531 D HN 0.632 nan 8.370 nan 0.000 0.455 532 D N -0.130 120.217 120.400 -0.088 0.000 2.340 532 D HA 0.020 4.661 4.640 0.002 0.000 0.217 532 D C 0.172 176.364 176.300 -0.181 0.000 1.081 532 D CA -0.176 53.774 54.000 -0.084 0.000 0.842 532 D CB 0.335 41.123 40.800 -0.020 0.000 0.934 532 D HN -0.039 nan 8.370 nan 0.000 0.511 533 V N 3.757 123.435 119.914 -0.394 0.000 2.486 533 V HA -0.035 4.086 4.120 0.002 0.000 0.290 533 V C -1.388 174.587 176.094 -0.199 0.000 0.991 533 V CA -0.408 61.569 62.300 -0.538 0.000 1.142 533 V CB 1.019 32.447 31.823 -0.659 0.000 0.926 533 V HN 0.034 nan 8.190 nan 0.000 0.472 534 P HA 0.105 nan 4.420 nan 0.000 0.255 534 P C -0.141 177.242 177.300 0.138 0.000 1.248 534 P CA 0.494 63.636 63.100 0.070 0.000 0.807 534 P CB 0.155 31.945 31.700 0.150 0.000 1.150 535 V N -4.439 115.579 119.914 0.174 0.000 3.102 535 V HA 0.919 5.040 4.120 0.002 0.000 0.312 535 V C -0.929 175.253 176.094 0.147 0.000 1.135 535 V CA -0.760 61.666 62.300 0.210 0.000 1.022 535 V CB 1.819 33.855 31.823 0.355 0.000 1.056 535 V HN -0.068 nan 8.190 nan 0.000 0.436 536 T N 0.205 114.837 114.554 0.131 0.000 2.853 536 T HA 0.652 5.003 4.350 0.002 0.000 0.311 536 T C 0.657 175.420 174.700 0.104 0.000 1.307 536 T CA 0.836 62.996 62.100 0.100 0.000 1.019 536 T CB 1.103 70.006 68.868 0.059 0.000 1.264 536 T HN 2.743 nan 8.240 nan 0.000 0.497 537 G N 2.071 110.930 108.800 0.099 0.000 2.189 537 G HA2 -0.173 3.788 3.960 0.002 0.000 0.267 537 G HA3 -0.173 3.788 3.960 0.002 0.000 0.267 537 G C 0.012 174.944 174.900 0.054 0.000 0.975 537 G CA 0.512 45.667 45.100 0.092 0.000 0.644 537 G HN 0.718 nan 8.290 nan 0.000 0.537 538 E N 0.609 120.826 120.200 0.027 0.000 2.319 538 E HA 0.538 4.889 4.350 0.002 0.000 0.268 538 E C 0.094 176.504 176.600 -0.316 0.000 1.050 538 E CA 0.078 56.382 56.400 -0.161 0.000 0.878 538 E CB 1.080 30.648 29.700 -0.220 0.000 1.066 538 E HN 0.179 nan 8.360 nan 0.000 0.406 539 T N 2.635 116.891 114.554 -0.496 0.000 2.779 539 T HA 0.556 4.907 4.350 0.002 0.000 0.280 539 T C -0.546 173.758 174.700 -0.659 0.000 0.987 539 T CA -0.449 61.403 62.100 -0.413 0.000 0.966 539 T CB 0.126 68.847 68.868 -0.247 0.000 0.933 539 T HN 0.159 nan 8.240 nan 0.000 0.442 540 F N 1.174 121.111 119.950 -0.022 0.000 2.540 540 F HA 0.485 5.013 4.527 0.002 0.000 0.317 540 F C 0.624 176.416 175.800 -0.013 0.000 1.104 540 F CA -1.094 56.880 58.000 -0.044 0.000 0.913 540 F CB 1.770 40.742 39.000 -0.047 0.000 1.170 540 F HN 0.426 nan 8.300 nan 0.000 0.450 541 E N 3.102 123.410 120.200 0.180 0.000 2.191 541 E HA 0.733 5.084 4.350 0.002 0.000 0.274 541 E C -1.211 175.553 176.600 0.273 0.000 0.948 541 E CA -0.927 55.637 56.400 0.273 0.000 0.802 541 E CB 3.157 33.093 29.700 0.394 0.000 1.137 541 E HN 0.605 nan 8.360 nan 0.000 0.397 542 I N 0.637 121.440 120.570 0.388 0.000 2.710 542 I HA 0.611 4.782 4.170 0.002 0.000 0.290 542 I C -1.419 174.901 176.117 0.339 0.000 1.318 542 I CA -0.063 61.437 61.300 0.332 0.000 1.045 542 I CB 1.738 39.812 38.000 0.124 0.000 1.307 542 I HN 0.658 nan 8.210 nan 0.000 0.424 543 G N 3.393 112.455 108.800 0.437 0.000 2.404 543 G HA2 0.500 4.461 3.960 0.002 0.000 0.298 543 G HA3 0.500 4.461 3.960 0.002 0.000 0.298 543 G C 0.175 175.327 174.900 0.420 0.000 1.577 543 G CA -0.119 45.097 45.100 0.194 0.000 0.847 543 G HN 1.591 nan 8.290 nan 0.000 0.598 544 G N -0.945 108.126 108.800 0.452 0.000 2.155 544 G HA2 0.307 4.269 3.960 0.002 0.000 0.257 544 G HA3 0.307 4.269 3.960 0.002 0.000 0.257 544 G C 1.863 177.012 174.900 0.414 0.000 0.983 544 G CA 1.430 46.843 45.100 0.522 0.000 0.676 544 G HN 2.912 nan 8.290 nan 0.000 0.528 545 G N -2.530 106.527 108.800 0.428 0.000 2.179 545 G HA2 -0.161 3.800 3.960 0.002 0.000 0.220 545 G HA3 -0.161 3.800 3.960 0.002 0.000 0.220 545 G C 0.238 175.354 174.900 0.360 0.000 0.990 545 G CA 0.548 45.802 45.100 0.257 0.000 0.646 545 G HN 1.662 nan 8.290 nan 0.000 0.517 546 W N 1.375 122.861 121.300 0.310 0.000 2.496 546 W HA 0.768 5.429 4.660 0.002 0.000 0.327 546 W C -0.303 176.415 176.519 0.333 0.000 1.086 546 W CA -1.099 56.415 57.345 0.282 0.000 1.222 546 W CB 0.691 30.311 29.460 0.266 0.000 1.304 546 W HN 0.151 nan 8.180 nan 0.000 0.547 547 I N 5.781 125.915 120.570 -0.726 0.000 2.569 547 I HA 0.696 4.867 4.170 0.002 0.000 0.290 547 I C 0.313 175.542 176.117 -1.480 0.000 1.088 547 I CA -0.993 59.832 61.300 -0.792 0.000 1.047 547 I CB 1.726 39.625 38.000 -0.168 0.000 1.237 547 I HN 0.588 nan 8.210 nan 0.000 0.421 548 G N 3.644 111.637 108.800 -1.345 0.000 2.680 548 G HA2 0.391 4.352 3.960 0.002 0.000 0.290 548 G HA3 0.391 4.352 3.960 0.002 0.000 0.290 548 G C -1.914 172.853 174.900 -0.222 0.000 1.355 548 G CA -0.626 43.992 45.100 -0.803 0.000 0.903 548 G HN 0.638 nan 8.290 nan 0.000 0.474 549 N N -1.062 117.539 118.700 -0.164 0.000 2.432 549 N HA 0.661 5.402 4.740 0.002 0.000 0.292 549 N C -1.249 174.242 175.510 -0.032 0.000 1.193 549 N CA -0.298 52.658 53.050 -0.156 0.000 0.878 549 N CB 2.171 40.561 38.487 -0.163 0.000 1.252 549 N HN 0.332 nan 8.380 nan 0.000 0.520 550 T N 1.264 115.780 114.554 -0.065 0.000 2.921 550 T HA 0.446 4.797 4.350 0.002 0.000 0.297 550 T C -0.545 174.135 174.700 -0.034 0.000 1.013 550 T CA -0.709 61.395 62.100 0.007 0.000 0.990 550 T CB 1.660 70.460 68.868 -0.113 0.000 1.023 550 T HN 0.743 nan 8.240 nan 0.000 0.447 551 R N 1.011 121.519 120.500 0.012 0.000 2.962 551 R HA 0.689 5.030 4.340 0.002 0.000 0.256 551 R C -1.612 174.575 176.300 -0.188 0.000 1.199 551 R CA -1.237 54.795 56.100 -0.113 0.000 1.012 551 R CB 1.119 31.369 30.300 -0.083 0.000 1.289 551 R HN 0.506 nan 8.270 nan 0.000 0.462 552 W N 0.359 121.732 121.300 0.123 0.000 2.512 552 W HA 0.445 5.107 4.660 0.002 0.000 0.335 552 W C -0.274 176.296 176.519 0.085 0.000 1.088 552 W CA -0.613 56.785 57.345 0.089 0.000 1.236 552 W CB 1.702 31.226 29.460 0.106 0.000 1.307 552 W HN 0.420 nan 8.180 nan 0.000 0.567 553 Q N 3.679 123.724 119.800 0.408 0.000 2.321 553 Q HA 0.355 4.696 4.340 0.002 0.000 0.270 553 Q C -0.648 175.591 176.000 0.398 0.000 1.032 553 Q CA -0.888 55.113 55.803 0.330 0.000 0.784 553 Q CB 1.667 30.581 28.738 0.292 0.000 1.264 553 Q HN 0.383 nan 8.270 nan 0.000 0.448 554 R N 2.371 123.090 120.500 0.364 0.000 2.589 554 R HA 0.687 5.029 4.340 0.002 0.000 0.293 554 R C -1.252 175.214 176.300 0.277 0.000 0.963 554 R CA -0.020 56.279 56.100 0.332 0.000 0.905 554 R CB 1.645 32.079 30.300 0.224 0.000 1.144 554 R HN 0.737 nan 8.270 nan 0.000 0.459 555 A N 2.863 125.703 122.820 0.034 0.000 2.313 555 A HA 0.182 4.503 4.320 0.002 0.000 0.261 555 A C 1.271 178.786 177.584 -0.115 0.000 1.090 555 A CA -0.089 51.698 52.037 -0.416 0.000 0.807 555 A CB 0.412 18.802 19.000 -1.017 0.000 1.055 555 A HN 0.965 nan 8.150 nan 0.000 0.492 556 K N 0.278 120.601 120.400 -0.128 0.000 2.032 556 K HA -0.041 4.280 4.320 0.002 0.000 0.218 556 K C 0.894 177.535 176.600 0.069 0.000 1.054 556 K CA 1.946 58.234 56.287 0.001 0.000 0.941 556 K CB -0.552 31.928 32.500 -0.035 0.000 0.720 556 K HN 2.111 nan 8.250 nan 0.000 0.449 557 G N -0.919 107.825 108.800 -0.092 0.000 2.699 557 G HA2 0.124 4.085 3.960 0.002 0.000 0.686 557 G HA3 0.124 4.085 3.960 0.002 0.000 0.686 557 G C -0.861 173.953 174.900 -0.143 0.000 1.301 557 G CA -0.355 44.588 45.100 -0.260 0.000 0.816 557 G HN 0.674 nan 8.290 nan 0.000 0.595 558 A N -0.478 122.226 122.820 -0.193 0.000 2.355 558 A HA 0.919 5.240 4.320 0.002 0.000 0.324 558 A C -0.167 177.485 177.584 0.113 0.000 1.117 558 A CA -0.245 51.793 52.037 0.001 0.000 0.785 558 A CB 2.128 21.112 19.000 -0.026 0.000 1.254 558 A HN 1.984 nan 8.150 nan 0.000 0.453 559 V N 1.568 121.564 119.914 0.137 0.000 2.407 559 V HA 0.458 4.579 4.120 0.002 0.000 0.291 559 V C 0.376 176.274 176.094 -0.326 0.000 1.018 559 V CA -0.516 61.794 62.300 0.017 0.000 0.842 559 V CB 1.412 33.278 31.823 0.072 0.000 0.996 559 V HN 0.908 nan 8.190 nan 0.000 0.426 560 S N 3.366 118.764 115.700 -0.504 0.000 2.489 560 S HA 0.353 4.825 4.470 0.002 0.000 0.277 560 S C 0.720 175.006 174.600 -0.523 0.000 1.230 560 S CA -0.446 57.180 58.200 -0.957 0.000 1.053 560 S CB 0.278 62.712 63.200 -1.277 0.000 0.955 560 S HN 0.759 nan 8.310 nan 0.000 0.488 561 H N 2.340 121.289 119.070 -0.201 0.000 2.639 561 H HA 0.232 4.790 4.556 0.002 0.000 0.267 561 H C -0.081 175.191 175.328 -0.092 0.000 0.958 561 H CA -0.127 55.860 56.048 -0.101 0.000 1.221 561 H CB -0.298 29.437 29.762 -0.045 0.000 1.446 561 H HN 0.538 nan 8.280 nan 0.000 0.512 562 D N 1.523 121.898 120.400 -0.042 0.000 2.419 562 D HA -0.061 4.580 4.640 0.002 0.000 0.236 562 D C 1.512 177.800 176.300 -0.020 0.000 1.165 562 D CA 0.310 54.293 54.000 -0.027 0.000 0.882 562 D CB 0.962 41.727 40.800 -0.057 0.000 1.201 562 D HN 0.521 nan 8.370 nan 0.000 0.443 563 E N 0.286 120.501 120.200 0.024 0.000 2.299 563 E HA -0.145 4.206 4.350 0.002 0.000 0.193 563 E C 0.206 176.867 176.600 0.101 0.000 0.998 563 E CA 0.665 57.088 56.400 0.039 0.000 0.851 563 E CB 0.088 29.808 29.700 0.034 0.000 0.795 563 E HN 0.352 nan 8.360 nan 0.000 0.492 564 H N 0.486 119.545 119.070 -0.019 0.000 2.511 564 H HA 0.413 4.971 4.556 0.002 0.000 0.328 564 H C -1.249 174.056 175.328 -0.039 0.000 1.044 564 H CA -0.955 55.088 56.048 -0.009 0.000 1.212 564 H CB 1.315 31.083 29.762 0.010 0.000 1.428 564 H HN -0.059 nan 8.280 nan 0.000 0.483 565 T N 4.789 119.253 114.554 -0.150 0.000 2.823 565 T HA 0.438 4.789 4.350 0.002 0.000 0.279 565 T C -0.053 174.436 174.700 -0.351 0.000 0.998 565 T CA -0.725 61.211 62.100 -0.273 0.000 0.994 565 T CB 1.023 69.766 68.868 -0.208 0.000 0.960 565 T HN 0.732 nan 8.240 nan 0.000 0.448 566 T N -1.019 113.376 114.554 -0.265 0.000 2.949 566 T HA 0.449 4.800 4.350 0.002 0.000 0.287 566 T C 1.364 176.030 174.700 -0.057 0.000 1.034 566 T CA -0.746 61.236 62.100 -0.198 0.000 1.018 566 T CB 1.318 70.093 68.868 -0.155 0.000 1.135 566 T HN 0.223 nan 8.240 nan 0.000 0.532 567 V N 0.750 120.650 119.914 -0.023 0.000 2.515 567 V HA -0.109 4.012 4.120 0.002 0.000 0.250 567 V C 2.331 178.436 176.094 0.019 0.000 1.058 567 V CA 1.828 64.146 62.300 0.029 0.000 1.064 567 V CB -0.948 30.950 31.823 0.125 0.000 0.675 567 V HN 0.838 nan 8.190 nan 0.000 0.461 568 E N -0.165 120.047 120.200 0.020 0.000 2.118 568 E HA -0.253 4.098 4.350 0.002 0.000 0.195 568 E C 1.913 178.497 176.600 -0.026 0.000 0.992 568 E CA 1.710 58.109 56.400 -0.002 0.000 0.804 568 E CB -0.616 29.091 29.700 0.011 0.000 0.741 568 E HN 0.760 nan 8.360 nan 0.000 0.458 569 F N 1.521 121.399 119.950 -0.120 0.000 2.171 569 F HA -0.194 4.334 4.527 0.002 0.000 0.300 569 F C 1.972 177.672 175.800 -0.167 0.000 1.090 569 F CA 1.011 58.957 58.000 -0.090 0.000 1.293 569 F CB 0.020 38.913 39.000 -0.178 0.000 1.013 569 F HN -0.097 nan 8.300 nan 0.000 0.486 570 I N 0.746 121.151 120.570 -0.275 0.000 2.179 570 I HA -0.271 3.900 4.170 0.002 0.000 0.242 570 I C 2.462 178.168 176.117 -0.686 0.000 1.088 570 I CA 1.361 62.327 61.300 -0.556 0.000 1.357 570 I CB -1.479 36.192 38.000 -0.548 0.000 1.051 570 I HN 0.216 nan 8.210 nan 0.000 0.409 571 K N 1.294 121.344 120.400 -0.584 0.000 2.032 571 K HA -0.215 4.106 4.320 0.002 0.000 0.209 571 K C 1.870 178.234 176.600 -0.393 0.000 1.048 571 K CA 1.764 57.749 56.287 -0.503 0.000 0.927 571 K CB -0.007 32.380 32.500 -0.189 0.000 0.712 571 K HN 0.380 nan 8.250 nan 0.000 0.441 572 E N -1.157 118.822 120.200 -0.368 0.000 2.285 572 E HA -0.123 4.229 4.350 0.002 0.000 0.194 572 E C 0.779 176.983 176.600 -0.659 0.000 0.997 572 E CA 0.750 56.890 56.400 -0.433 0.000 0.845 572 E CB 0.104 29.568 29.700 -0.393 0.000 0.782 572 E HN 0.461 nan 8.360 nan 0.000 0.491 573 H N -0.977 117.734 119.070 -0.599 0.000 2.674 573 H HA 0.109 4.667 4.556 0.002 0.000 0.274 573 H C 1.117 176.177 175.328 -0.448 0.000 1.121 573 H CA -0.277 55.419 56.048 -0.586 0.000 1.132 573 H CB 0.554 29.735 29.762 -0.969 0.000 1.606 573 H HN -0.018 nan 8.280 nan 0.000 0.558 574 L N 1.692 122.705 121.223 -0.349 0.000 2.089 574 L HA -0.276 4.065 4.340 0.002 0.000 0.213 574 L C 1.858 178.623 176.870 -0.175 0.000 1.079 574 L CA 1.692 56.366 54.840 -0.276 0.000 0.758 574 L CB -0.445 41.446 42.059 -0.279 0.000 0.891 574 L HN 0.501 nan 8.230 nan 0.000 0.433 575 N N -0.494 118.104 118.700 -0.171 0.000 2.061 575 N HA -0.254 4.487 4.740 0.002 0.000 0.193 575 N C 1.574 177.011 175.510 -0.121 0.000 1.030 575 N CA 2.113 55.088 53.050 -0.125 0.000 0.856 575 N CB -0.828 37.587 38.487 -0.120 0.000 1.023 575 N HN 0.522 nan 8.380 nan 0.000 0.424 576 E N 0.147 120.273 120.200 -0.123 0.000 2.106 576 E HA 0.018 4.369 4.350 0.002 0.000 0.192 576 E C 2.057 178.568 176.600 -0.147 0.000 0.984 576 E CA 0.676 57.012 56.400 -0.106 0.000 0.806 576 E CB -0.166 29.502 29.700 -0.053 0.000 0.750 576 E HN 0.403 nan 8.360 nan 0.000 0.458 577 I N 1.087 121.567 120.570 -0.150 0.000 2.315 577 I HA -0.181 3.990 4.170 0.002 0.000 0.248 577 I C 2.144 178.157 176.117 -0.172 0.000 1.117 577 I CA 1.358 62.578 61.300 -0.134 0.000 1.404 577 I CB -0.144 37.804 38.000 -0.087 0.000 1.071 577 I HN 0.139 nan 8.210 nan 0.000 0.419 578 T N -3.409 111.040 114.554 -0.174 0.000 3.214 578 T HA 0.114 4.465 4.350 0.002 0.000 0.264 578 T C 0.226 174.696 174.700 -0.382 0.000 1.012 578 T CA -0.446 61.523 62.100 -0.218 0.000 0.901 578 T CB -0.327 68.544 68.868 0.005 0.000 1.070 578 T HN -0.022 nan 8.240 nan 0.000 0.561 579 D N 0.926 121.064 120.400 -0.438 0.000 2.456 579 D HA 0.276 4.917 4.640 0.002 0.000 0.219 579 D C -0.342 175.743 176.300 -0.358 0.000 1.126 579 D CA -1.241 52.585 54.000 -0.290 0.000 0.890 579 D CB -0.122 40.582 40.800 -0.159 0.000 1.025 579 D HN 0.323 nan 8.370 nan 0.000 0.511 580 F N 1.233 121.155 119.950 -0.047 0.000 2.693 580 F HA 0.091 4.619 4.527 0.002 0.000 0.303 580 F C 2.210 177.973 175.800 -0.060 0.000 1.097 580 F CA -0.119 57.838 58.000 -0.072 0.000 1.330 580 F CB 0.539 39.439 39.000 -0.167 0.000 1.067 580 F HN 0.224 nan 8.300 nan 0.000 0.565 581 T N -1.087 113.510 114.554 0.072 0.000 2.896 581 T HA -0.023 4.328 4.350 0.002 0.000 0.263 581 T C 0.976 175.706 174.700 0.050 0.000 1.050 581 T CA 1.535 63.667 62.100 0.053 0.000 1.140 581 T CB -0.173 68.713 68.868 0.030 0.000 0.877 581 T HN 0.281 nan 8.240 nan 0.000 0.457 582 T N -1.158 113.418 114.554 0.037 0.000 2.883 582 T HA 0.476 4.827 4.350 0.002 0.000 0.296 582 T C -1.236 173.490 174.700 0.044 0.000 1.117 582 T CA -0.843 61.281 62.100 0.041 0.000 1.006 582 T CB 1.828 70.713 68.868 0.030 0.000 1.191 582 T HN -0.065 nan 8.240 nan 0.000 0.508 583 D N 0.538 120.969 120.400 0.053 0.000 2.737 583 D HA -0.149 4.492 4.640 0.002 0.000 0.233 583 D C 0.642 176.986 176.300 0.074 0.000 1.155 583 D CA 1.708 55.743 54.000 0.059 0.000 0.667 583 D CB -1.736 39.098 40.800 0.056 0.000 1.060 583 D HN 1.057 nan 8.370 nan 0.000 0.427 584 T N -2.646 111.964 114.554 0.092 0.000 2.816 584 T HA 0.523 4.874 4.350 0.002 0.000 0.282 584 T C 0.276 175.048 174.700 0.121 0.000 0.993 584 T CA -0.588 61.590 62.100 0.130 0.000 0.994 584 T CB 2.476 71.458 68.868 0.190 0.000 1.025 584 T HN -0.041 nan 8.240 nan 0.000 0.529 585 E N 0.734 121.020 120.200 0.145 0.000 2.393 585 E HA 0.354 4.705 4.350 0.002 0.000 0.273 585 E C -1.091 175.594 176.600 0.142 0.000 0.918 585 E CA -0.852 55.617 56.400 0.115 0.000 0.773 585 E CB 2.003 31.760 29.700 0.094 0.000 1.275 585 E HN 0.793 nan 8.360 nan 0.000 0.451 586 N N 1.337 120.100 118.700 0.105 0.000 2.696 586 N HA 0.221 4.962 4.740 0.002 0.000 0.308 586 N C -2.541 173.044 175.510 0.125 0.000 1.915 586 N CA -0.877 52.245 53.050 0.120 0.000 0.906 586 N CB 0.883 39.384 38.487 0.024 0.000 1.284 586 N HN 0.089 nan 8.380 nan 0.000 0.488 587 P HA 0.068 nan 4.420 nan 0.000 0.268 587 P C -0.052 177.323 177.300 0.123 0.000 1.205 587 P CA 0.049 63.156 63.100 0.010 0.000 0.771 587 P CB 1.620 33.251 31.700 -0.114 0.000 0.858 588 K N 0.179 120.551 120.400 -0.046 0.000 2.520 588 K HA 0.187 4.509 4.320 0.002 0.000 0.206 588 K C -0.254 176.330 176.600 -0.026 0.000 1.122 588 K CA -0.150 56.210 56.287 0.121 0.000 1.045 588 K CB 0.557 33.131 32.500 0.123 0.000 0.932 588 K HN 0.615 nan 8.250 nan 0.000 0.571 589 S N -1.964 113.510 115.700 -0.377 0.000 2.570 589 S HA 0.141 4.613 4.470 0.002 0.000 0.270 589 S C 0.884 175.150 174.600 -0.556 0.000 1.149 589 S CA -0.285 57.742 58.200 -0.289 0.000 0.837 589 S CB 1.143 64.286 63.200 -0.095 0.000 1.124 589 S HN 0.122 nan 8.310 nan 0.000 0.465 590 T N -1.183 113.249 114.554 -0.203 0.000 2.833 590 T HA -0.082 4.269 4.350 0.002 0.000 0.269 590 T C 1.645 176.274 174.700 -0.119 0.000 1.054 590 T CA 1.988 64.033 62.100 -0.092 0.000 1.135 590 T CB -1.228 67.695 68.868 0.091 0.000 0.869 590 T HN 0.651 nan 8.240 nan 0.000 0.466 591 T N 1.832 116.324 114.554 -0.102 0.000 2.777 591 T HA -0.042 4.309 4.350 0.002 0.000 0.266 591 T C 1.904 176.532 174.700 -0.120 0.000 1.040 591 T CA 1.479 63.529 62.100 -0.085 0.000 1.141 591 T CB -0.304 68.532 68.868 -0.053 0.000 0.868 591 T HN 0.568 nan 8.240 nan 0.000 0.444 592 E N 0.650 120.749 120.200 -0.170 0.000 2.077 592 E HA -0.117 4.234 4.350 0.002 0.000 0.193 592 E C 2.465 178.957 176.600 -0.181 0.000 0.989 592 E CA 1.177 57.478 56.400 -0.164 0.000 0.800 592 E CB -0.135 29.460 29.700 -0.175 0.000 0.746 592 E HN 0.347 nan 8.360 nan 0.000 0.452 593 S N -0.064 115.476 115.700 -0.267 0.000 2.368 593 S HA -0.138 4.333 4.470 0.002 0.000 0.224 593 S C 2.123 176.650 174.600 -0.122 0.000 1.029 593 S CA 1.579 59.674 58.200 -0.176 0.000 0.988 593 S CB -0.111 63.009 63.200 -0.134 0.000 0.838 593 S HN 0.094 nan 8.310 nan 0.000 0.462 594 S N 1.153 116.788 115.700 -0.110 0.000 2.383 594 S HA 0.043 4.514 4.470 0.002 0.000 0.227 594 S C 1.906 176.437 174.600 -0.115 0.000 1.026 594 S CA 1.411 59.553 58.200 -0.095 0.000 0.981 594 S CB -0.358 62.803 63.200 -0.065 0.000 0.818 594 S HN 0.526 nan 8.310 nan 0.000 0.472 595 M N 0.897 120.434 119.600 -0.106 0.000 2.117 595 M HA -0.088 4.393 4.480 0.002 0.000 0.262 595 M C 2.447 178.674 176.300 -0.121 0.000 1.065 595 M CA 1.424 56.666 55.300 -0.098 0.000 1.114 595 M CB -0.494 32.059 32.600 -0.078 0.000 1.361 595 M HN 0.394 nan 8.290 nan 0.000 0.408 596 A N 0.207 122.945 122.820 -0.136 0.000 1.969 596 A HA -0.071 4.250 4.320 0.002 0.000 0.218 596 A C 2.021 179.434 177.584 -0.286 0.000 1.169 596 A CA 1.165 53.108 52.037 -0.156 0.000 0.635 596 A CB -0.704 18.229 19.000 -0.112 0.000 0.810 596 A HN 0.447 nan 8.150 nan 0.000 0.445 597 I N -0.799 119.554 120.570 -0.361 0.000 2.286 597 I HA -0.168 4.003 4.170 0.002 0.000 0.245 597 I C 2.373 178.248 176.117 -0.403 0.000 1.104 597 I CA 0.874 61.805 61.300 -0.615 0.000 1.397 597 I CB -0.191 37.533 38.000 -0.461 0.000 1.072 597 I HN 0.413 nan 8.210 nan 0.000 0.417 598 L N 0.440 121.523 121.223 -0.233 0.000 2.043 598 L HA -0.261 4.081 4.340 0.002 0.000 0.212 598 L C 2.582 179.371 176.870 -0.135 0.000 1.075 598 L CA 2.304 57.054 54.840 -0.151 0.000 0.752 598 L CB -0.798 41.197 42.059 -0.106 0.000 0.891 598 L HN 0.209 nan 8.230 nan 0.000 0.432 599 S N -0.944 114.671 115.700 -0.143 0.000 2.387 599 S HA -0.071 4.400 4.470 0.002 0.000 0.226 599 S C 2.110 176.658 174.600 -0.086 0.000 1.026 599 S CA 1.017 59.159 58.200 -0.097 0.000 0.972 599 S CB -0.452 62.699 63.200 -0.081 0.000 0.814 599 S HN 0.663 nan 8.310 nan 0.000 0.477 600 A N 0.820 123.548 122.820 -0.153 0.000 1.897 600 A HA 0.085 4.406 4.320 0.002 0.000 0.215 600 A C 2.307 179.899 177.584 0.013 0.000 1.181 600 A CA 1.568 53.564 52.037 -0.068 0.000 0.620 600 A CB -0.926 17.991 19.000 -0.139 0.000 0.821 600 A HN 0.463 nan 8.150 nan 0.000 0.443 601 V N -0.062 119.819 119.914 -0.055 0.000 2.515 601 V HA -0.127 3.994 4.120 0.002 0.000 0.250 601 V C 2.709 178.819 176.094 0.026 0.000 1.058 601 V CA 1.720 64.040 62.300 0.033 0.000 1.064 601 V CB -1.215 30.596 31.823 -0.020 0.000 0.675 601 V HN 0.606 nan 8.190 nan 0.000 0.461 602 G N -0.642 108.147 108.800 -0.018 0.000 2.422 602 G HA2 0.288 4.249 3.960 0.002 0.000 0.218 602 G HA3 0.288 4.249 3.960 0.002 0.000 0.218 602 G C 0.963 175.854 174.900 -0.014 0.000 1.140 602 G CA 0.848 45.934 45.100 -0.023 0.000 0.775 602 G HN 1.001 nan 8.290 nan 0.000 0.545 603 G N 0.000 108.804 108.800 0.006 0.000 5.446 603 G HA2 0.000 3.961 3.960 0.002 0.000 0.244 603 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 603 G CA 0.000 45.110 45.100 0.017 0.000 0.502 603 G HN 0.000 nan 8.290 nan 0.000 0.925