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 3d54_1_A DATA FIRST_RESID 2 DATA SEQUENCE KLRYLNILKE KLGREPTFVE LQAFSVMWSE HCGYSHTKKY IRRLPKTXXX DATA SEQUENCE GNAGVVNLDD YYSVAFKIES HNHPSAIEPY NGAATGVGGI IRDVLAMGAR DATA SEQUENCE PTAIFDSLHM SRIIDGIIEG IADYGNSIGV PTVGGELRIS SLYAHNPLVN DATA SEQUENCE VLAAGVVRND MLVDSKASRP GQVIVIFGGA TGRDGXXXXX XXXXXXXXXX DATA SEQUENCE XTKLSIQVGD PFAEKMLIEA FLEMVEEGLV EGAQDLGAGG VLSATSELVA DATA SEQUENCE KGNLGAIVHL DRVPLREPDM EPWEILISES QERMAVVTSP QKASRILEIA DATA SEQUENCE RKHLLFGDVV AEVIEEPVYR VMYRNDLVME VPVQLLANAP EEDIVEYTPG DATA SEQUENCE KIPEFKRVEF EEVNAREVFE QYDHMVGTDT VVPPGFGAAV MRIKRDGGYS DATA SEQUENCE LVTHSRADLA LQDTYWGTLI AVLESVRKTL SVGAEPLAIT NCVNYGDPDV DATA SEQUENCE DPVGLSAMMT ALKNACEFSG VPVASGNASL YNTYQGKPIP PTLVVGMLGK DATA SEQUENCE VNPQKVAKPK PSKVFAVGWN DFELEREKEL WRAIRKLSEE GAFILSSSQL DATA SEQUENCE LTRTHVETFR EYGLKIEVKL PEVRPAHQMV LVFSERTPVV DVPVKEIGTL DATA SEQUENCE SR 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 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.678 176.600 0.130 0.000 0.988 2 K CA 0.000 56.374 56.287 0.144 0.000 0.838 2 K CB 0.000 32.580 32.500 0.133 0.000 1.064 3 L N -0.499 120.832 121.223 0.179 0.000 2.781 3 L HA 0.486 4.828 4.340 0.003 0.000 0.245 3 L C 1.670 178.615 176.870 0.125 0.000 1.118 3 L CA 0.676 55.587 54.840 0.118 0.000 0.918 3 L CB 0.774 42.884 42.059 0.084 0.000 1.246 3 L HN 0.640 nan 8.230 nan 0.000 0.526 4 R N -2.882 117.732 120.500 0.191 0.000 2.599 4 R HA 0.097 4.439 4.340 0.003 0.000 0.248 4 R C 0.748 177.089 176.300 0.067 0.000 0.970 4 R CA 0.134 56.283 56.100 0.082 0.000 1.188 4 R CB 0.247 30.548 30.300 0.002 0.000 1.736 4 R HN 0.230 nan 8.270 nan 0.000 0.504 5 Y N 0.722 121.069 120.300 0.078 0.000 2.578 5 Y HA -0.056 4.496 4.550 0.002 0.000 0.297 5 Y C 1.868 177.863 175.900 0.160 0.000 1.176 5 Y CA 0.376 58.549 58.100 0.122 0.000 1.315 5 Y CB 0.127 38.695 38.460 0.180 0.000 1.031 5 Y HN 0.068 nan 8.280 nan 0.000 0.524 6 L N 0.431 121.789 121.223 0.226 0.000 2.072 6 L HA -0.159 4.183 4.340 0.003 0.000 0.205 6 L C 1.812 178.728 176.870 0.076 0.000 1.079 6 L CA 1.798 56.713 54.840 0.125 0.000 0.752 6 L CB -0.571 41.536 42.059 0.079 0.000 0.906 6 L HN 0.159 nan 8.230 nan 0.000 0.436 7 N N 0.111 118.847 118.700 0.060 0.000 2.309 7 N HA -0.118 4.623 4.740 0.003 0.000 0.182 7 N C 1.628 177.158 175.510 0.033 0.000 1.018 7 N CA 1.454 54.521 53.050 0.028 0.000 0.876 7 N CB -0.009 38.483 38.487 0.008 0.000 0.972 7 N HN 0.399 nan 8.380 nan 0.000 0.434 8 I N 0.597 121.209 120.570 0.069 0.000 2.876 8 I HA -0.068 4.103 4.170 0.003 0.000 0.264 8 I C 2.130 178.332 176.117 0.142 0.000 1.204 8 I CA 0.486 61.839 61.300 0.088 0.000 1.485 8 I CB -0.788 37.258 38.000 0.077 0.000 1.103 8 I HN 0.068 nan 8.210 nan 0.000 0.446 9 L N 1.058 122.357 121.223 0.127 0.000 2.249 9 L HA 0.039 4.380 4.340 0.003 0.000 0.207 9 L C 2.277 179.094 176.870 -0.088 0.000 1.090 9 L CA 1.577 56.398 54.840 -0.032 0.000 0.802 9 L CB -0.462 41.469 42.059 -0.214 0.000 0.947 9 L HN -0.062 nan 8.230 nan 0.000 0.453 10 K N 0.109 120.484 120.400 -0.043 0.000 2.148 10 K HA -0.167 4.155 4.320 0.003 0.000 0.204 10 K C 1.779 178.364 176.600 -0.025 0.000 1.050 10 K CA 1.668 57.931 56.287 -0.040 0.000 0.942 10 K CB -0.029 32.459 32.500 -0.020 0.000 0.724 10 K HN 0.641 nan 8.250 nan 0.000 0.446 11 E N 0.033 120.228 120.200 -0.008 0.000 2.435 11 E HA -0.054 4.297 4.350 0.003 0.000 0.195 11 E C 1.194 177.795 176.600 0.001 0.000 1.029 11 E CA 0.571 56.970 56.400 -0.002 0.000 0.865 11 E CB 0.290 29.992 29.700 0.004 0.000 0.833 11 E HN -0.015 nan 8.360 nan 0.000 0.510 12 K N 0.334 120.733 120.400 -0.002 0.000 2.352 12 K HA 0.213 4.534 4.320 0.003 0.000 0.194 12 K C 1.704 178.294 176.600 -0.018 0.000 1.038 12 K CA 0.201 56.491 56.287 0.005 0.000 1.023 12 K CB 0.555 33.074 32.500 0.032 0.000 0.840 12 K HN 0.263 nan 8.250 nan 0.000 0.519 13 L N -0.719 120.478 121.223 -0.043 0.000 2.470 13 L HA 0.144 4.485 4.340 0.003 0.000 0.219 13 L C 1.141 177.998 176.870 -0.022 0.000 1.071 13 L CA 0.670 55.484 54.840 -0.044 0.000 0.850 13 L CB 0.042 42.052 42.059 -0.082 0.000 1.040 13 L HN 0.324 nan 8.230 nan 0.000 0.475 14 G N 1.453 110.242 108.800 -0.019 0.000 2.143 14 G HA2 -0.268 3.694 3.960 0.003 0.000 0.249 14 G HA3 -0.268 3.694 3.960 0.003 0.000 0.249 14 G C 0.318 175.211 174.900 -0.011 0.000 0.981 14 G CA 0.660 45.754 45.100 -0.010 0.000 0.665 14 G HN 0.511 nan 8.290 nan 0.000 0.528 15 R N -2.412 118.078 120.500 -0.017 0.000 3.034 15 R HA 0.715 5.056 4.340 0.003 0.000 0.264 15 R C -1.394 174.893 176.300 -0.021 0.000 1.030 15 R CA -1.124 54.968 56.100 -0.014 0.000 0.903 15 R CB 0.479 30.774 30.300 -0.009 0.000 1.414 15 R HN -0.006 nan 8.270 nan 0.000 0.429 16 E N 1.411 121.602 120.200 -0.016 0.000 2.266 16 E HA 0.409 4.761 4.350 0.003 0.000 0.277 16 E C -2.175 174.414 176.600 -0.020 0.000 1.018 16 E CA -1.782 54.607 56.400 -0.017 0.000 0.840 16 E CB 1.504 31.199 29.700 -0.008 0.000 1.082 16 E HN 0.308 nan 8.360 nan 0.000 0.395 17 P HA 0.105 nan 4.420 nan 0.000 0.278 17 P C -0.226 177.074 177.300 -0.001 0.000 1.238 17 P CA -0.296 62.788 63.100 -0.027 0.000 0.794 17 P CB 0.574 32.241 31.700 -0.055 0.000 0.955 18 T N -1.447 113.113 114.554 0.011 0.000 2.770 18 T HA 0.174 4.526 4.350 0.003 0.000 0.281 18 T C 0.739 175.460 174.700 0.034 0.000 0.981 18 T CA -0.252 61.869 62.100 0.035 0.000 0.955 18 T CB 0.059 68.950 68.868 0.039 0.000 1.060 18 T HN 0.170 nan 8.240 nan 0.000 0.531 19 F N 0.371 120.254 119.950 -0.112 0.000 2.502 19 F HA 0.091 4.619 4.527 0.002 0.000 0.298 19 F C 1.952 177.608 175.800 -0.241 0.000 1.111 19 F CA 0.473 58.350 58.000 -0.204 0.000 1.445 19 F CB -0.489 38.355 39.000 -0.260 0.000 1.081 19 F HN 0.357 nan 8.300 nan 0.000 0.558 20 V N -0.430 119.390 119.914 -0.156 0.000 2.535 20 V HA -0.169 3.952 4.120 0.003 0.000 0.246 20 V C 2.003 178.023 176.094 -0.124 0.000 1.045 20 V CA 1.814 64.035 62.300 -0.132 0.000 1.058 20 V CB -0.661 31.172 31.823 0.016 0.000 0.689 20 V HN 0.237 nan 8.190 nan 0.000 0.461 21 E N 0.326 120.491 120.200 -0.060 0.000 2.112 21 E HA -0.087 4.265 4.350 0.003 0.000 0.190 21 E C 2.162 178.779 176.600 0.028 0.000 0.979 21 E CA 0.825 57.251 56.400 0.043 0.000 0.814 21 E CB -0.087 29.671 29.700 0.095 0.000 0.762 21 E HN 0.468 nan 8.360 nan 0.000 0.460 22 L N 1.078 122.236 121.223 -0.108 0.000 2.083 22 L HA -0.205 4.137 4.340 0.003 0.000 0.209 22 L C 2.225 178.973 176.870 -0.203 0.000 1.083 22 L CA 1.223 55.980 54.840 -0.139 0.000 0.752 22 L CB 0.112 42.065 42.059 -0.177 0.000 0.899 22 L HN 0.058 nan 8.230 nan 0.000 0.433 23 Q N -0.751 118.828 119.800 -0.369 0.000 2.269 23 Q HA 0.019 4.360 4.340 0.003 0.000 0.201 23 Q C 2.203 178.105 176.000 -0.164 0.000 0.946 23 Q CA 1.149 56.751 55.803 -0.335 0.000 0.877 23 Q CB -0.067 28.335 28.738 -0.560 0.000 0.963 23 Q HN 0.637 nan 8.270 nan 0.000 0.472 24 A N -0.246 122.478 122.820 -0.159 0.000 1.872 24 A HA -0.058 4.264 4.320 0.003 0.000 0.214 24 A C 1.604 179.002 177.584 -0.310 0.000 1.187 24 A CA 0.835 52.741 52.037 -0.217 0.000 0.614 24 A CB -0.622 18.209 19.000 -0.281 0.000 0.826 24 A HN 0.274 nan 8.150 nan 0.000 0.442 25 F N -0.595 119.219 119.950 -0.227 0.000 2.797 25 F HA 0.092 4.620 4.527 0.002 0.000 0.302 25 F C 2.468 178.174 175.800 -0.156 0.000 1.130 25 F CA 0.788 58.595 58.000 -0.321 0.000 1.387 25 F CB 0.259 38.940 39.000 -0.533 0.000 1.107 25 F HN 0.222 nan 8.300 nan 0.000 0.577 26 S N -0.841 114.873 115.700 0.023 0.000 2.496 26 S HA 0.008 4.479 4.470 0.003 0.000 0.224 26 S C 1.755 176.353 174.600 -0.003 0.000 0.996 26 S CA 0.594 58.802 58.200 0.013 0.000 0.927 26 S CB 0.042 63.221 63.200 -0.036 0.000 0.774 26 S HN 0.112 nan 8.310 nan 0.000 0.524 27 V N 0.904 120.805 119.914 -0.022 0.000 3.212 27 V HA 0.201 4.323 4.120 0.003 0.000 0.244 27 V C 2.078 178.167 176.094 -0.008 0.000 1.151 27 V CA 0.398 62.682 62.300 -0.027 0.000 1.119 27 V CB -0.009 31.792 31.823 -0.036 0.000 0.838 27 V HN 0.387 nan 8.190 nan 0.000 0.470 28 M N -1.308 118.276 119.600 -0.026 0.000 2.288 28 M HA 0.024 4.506 4.480 0.003 0.000 0.266 28 M C 1.055 177.519 176.300 0.274 0.000 1.072 28 M CA 1.115 56.424 55.300 0.016 0.000 1.132 28 M CB -0.584 31.896 32.600 -0.199 0.000 1.386 28 M HN 0.463 nan 8.290 nan 0.000 0.432 29 W N 1.288 122.581 121.300 -0.011 0.000 2.937 29 W HA 0.279 4.940 4.660 0.002 0.000 0.435 29 W C 1.001 177.415 176.519 -0.174 0.000 0.912 29 W CA -1.119 56.198 57.345 -0.048 0.000 2.209 29 W CB -0.857 28.620 29.460 0.027 0.000 1.144 29 W HN 0.083 nan 8.180 nan 0.000 0.762 30 S N -0.837 114.889 115.700 0.042 0.000 2.671 30 S HA 0.234 4.706 4.470 0.003 0.000 0.272 30 S C 0.950 175.501 174.600 -0.082 0.000 1.174 30 S CA -0.206 57.959 58.200 -0.059 0.000 1.004 30 S CB 1.629 64.799 63.200 -0.051 0.000 1.077 30 S HN 0.013 nan 8.310 nan 0.000 0.553 31 E N -1.010 119.148 120.200 -0.071 0.000 2.489 31 E HA 0.104 4.455 4.350 0.003 0.000 0.193 31 E C 1.284 177.793 176.600 -0.152 0.000 1.057 31 E CA 0.639 57.018 56.400 -0.035 0.000 0.866 31 E CB -0.333 29.447 29.700 0.133 0.000 0.916 31 E HN 0.820 nan 8.360 nan 0.000 0.500 32 H N -1.152 117.763 119.070 -0.257 0.000 2.287 32 H HA 0.056 4.613 4.556 0.002 0.000 0.309 32 H C 1.239 176.306 175.328 -0.436 0.000 1.059 32 H CA 1.965 57.818 56.048 -0.325 0.000 1.357 32 H CB 0.083 29.684 29.762 -0.267 0.000 1.409 32 H HN 0.312 nan 8.280 nan 0.000 0.515 33 C N -0.144 119.019 119.300 -0.227 0.000 2.469 33 C HA 0.723 5.184 4.460 0.003 0.000 0.298 33 C C 1.669 176.610 174.990 -0.082 0.000 1.436 33 C CA 0.037 58.938 59.018 -0.197 0.000 1.783 33 C CB -0.368 27.347 27.740 -0.041 0.000 2.726 33 C HN 0.577 nan 8.230 nan 0.000 0.541 34 G N -1.259 107.450 108.800 -0.152 0.000 2.826 34 G HA2 0.304 4.266 3.960 0.003 0.000 0.197 34 G HA3 0.304 4.266 3.960 0.003 0.000 0.197 34 G C 0.146 175.096 174.900 0.083 0.000 1.072 34 G CA -0.176 44.925 45.100 0.001 0.000 0.733 34 G HN 0.540 nan 8.290 nan 0.000 0.674 35 Y N 1.152 121.460 120.300 0.014 0.000 2.973 35 Y HA -0.228 4.323 4.550 0.003 0.000 0.153 35 Y C 1.756 177.683 175.900 0.045 0.000 1.748 35 Y CA 0.113 58.234 58.100 0.035 0.000 0.920 35 Y CB -1.778 36.689 38.460 0.012 0.000 1.478 35 Y HN 0.192 nan 8.280 nan 0.000 0.366 36 S N -0.863 114.958 115.700 0.202 0.000 2.404 36 S HA -0.073 4.398 4.470 0.003 0.000 0.223 36 S C 0.945 175.629 174.600 0.140 0.000 1.040 36 S CA 0.964 59.248 58.200 0.140 0.000 0.957 36 S CB -0.019 63.275 63.200 0.157 0.000 0.826 36 S HN 0.671 nan 8.310 nan 0.000 0.491 37 H N 0.914 120.092 119.070 0.179 0.000 2.524 37 H HA 0.242 4.799 4.556 0.003 0.000 0.280 37 H C 1.265 176.759 175.328 0.276 0.000 1.018 37 H CA 0.981 57.151 56.048 0.204 0.000 1.165 37 H CB 0.119 29.981 29.762 0.166 0.000 1.411 37 H HN 0.399 nan 8.280 nan 0.000 0.569 38 T N -4.084 110.681 114.554 0.352 0.000 3.029 38 T HA 0.083 4.434 4.350 0.003 0.000 0.256 38 T C 1.664 176.502 174.700 0.231 0.000 0.914 38 T CA -0.387 61.915 62.100 0.338 0.000 0.880 38 T CB 0.442 69.454 68.868 0.240 0.000 1.246 38 T HN 0.003 nan 8.240 nan 0.000 0.523 39 K N 1.677 122.164 120.400 0.145 0.000 2.089 39 K HA -0.095 4.227 4.320 0.003 0.000 0.210 39 K C 2.256 178.864 176.600 0.012 0.000 1.048 39 K CA 1.533 57.844 56.287 0.039 0.000 0.926 39 K CB -0.068 32.455 32.500 0.037 0.000 0.714 39 K HN 0.236 nan 8.250 nan 0.000 0.448 40 K N -0.686 119.708 120.400 -0.011 0.000 2.155 40 K HA -0.117 4.204 4.320 0.003 0.000 0.203 40 K C 1.840 178.392 176.600 -0.079 0.000 1.052 40 K CA 1.224 57.452 56.287 -0.097 0.000 0.948 40 K CB 0.040 32.417 32.500 -0.205 0.000 0.728 40 K HN 0.169 nan 8.250 nan 0.000 0.448 41 Y N 0.115 120.394 120.300 -0.034 0.000 2.314 41 Y HA -0.056 4.496 4.550 0.003 0.000 0.293 41 Y C 1.873 177.741 175.900 -0.052 0.000 1.129 41 Y CA 0.686 58.764 58.100 -0.038 0.000 1.201 41 Y CB -0.003 38.433 38.460 -0.041 0.000 0.999 41 Y HN -0.005 nan 8.280 nan 0.000 0.541 42 I N -0.215 120.420 120.570 0.108 0.000 2.756 42 I HA -0.232 3.940 4.170 0.003 0.000 0.262 42 I C 2.003 178.108 176.117 -0.020 0.000 1.225 42 I CA 1.037 62.335 61.300 -0.003 0.000 1.472 42 I CB -0.095 37.851 38.000 -0.090 0.000 1.094 42 I HN 0.199 nan 8.210 nan 0.000 0.454 43 R N -0.127 120.367 120.500 -0.009 0.000 2.210 43 R HA 0.052 4.393 4.340 0.003 0.000 0.203 43 R C 2.061 178.357 176.300 -0.006 0.000 1.010 43 R CA 0.327 56.416 56.100 -0.018 0.000 1.008 43 R CB -0.035 30.250 30.300 -0.025 0.000 0.923 43 R HN 0.302 nan 8.270 nan 0.000 0.469 44 R N 0.532 121.038 120.500 0.010 0.000 2.236 44 R HA 0.105 4.446 4.340 0.003 0.000 0.208 44 R C 0.344 176.657 176.300 0.022 0.000 1.036 44 R CA 0.374 56.486 56.100 0.019 0.000 1.001 44 R CB 0.035 30.358 30.300 0.038 0.000 0.896 44 R HN 0.046 nan 8.270 nan 0.000 0.464 45 L N 3.291 124.523 121.223 0.015 0.000 2.331 45 L HA 0.259 4.600 4.340 0.003 0.000 0.278 45 L C -1.962 174.908 176.870 0.001 0.000 1.106 45 L CA -2.122 52.722 54.840 0.006 0.000 0.824 45 L CB 0.428 42.480 42.059 -0.011 0.000 1.142 45 L HN -0.161 nan 8.230 nan 0.000 0.443 46 P HA 0.139 nan 4.420 nan 0.000 0.271 46 P C -0.809 176.493 177.300 0.003 0.000 1.233 46 P CA 0.010 63.117 63.100 0.010 0.000 0.764 46 P CB 0.853 32.567 31.700 0.023 0.000 0.825 47 K N 1.499 121.898 120.400 -0.003 0.000 2.416 47 K HA 0.479 4.800 4.320 0.003 0.000 0.244 47 K C 0.894 177.496 176.600 0.003 0.000 1.044 47 K CA -0.595 55.687 56.287 -0.008 0.000 0.972 47 K CB 0.601 33.089 32.500 -0.020 0.000 1.286 47 K HN 0.401 nan 8.250 nan 0.000 0.500 53 N N 0.276 118.982 118.700 0.010 0.000 2.296 53 N HA 0.601 5.342 4.740 0.003 0.000 0.294 53 N C -0.341 175.169 175.510 0.000 0.000 1.033 53 N CA -0.561 52.494 53.050 0.008 0.000 0.839 53 N CB 2.194 40.691 38.487 0.017 0.000 1.395 53 N HN 0.309 nan 8.380 nan 0.000 0.479 54 A N 1.379 124.191 122.820 -0.012 0.000 2.294 54 A HA 0.623 4.944 4.320 0.003 0.000 0.316 54 A C 0.967 178.524 177.584 -0.045 0.000 1.359 54 A CA 0.106 52.124 52.037 -0.033 0.000 0.956 54 A CB -0.255 18.716 19.000 -0.047 0.000 1.155 54 A HN 0.910 nan 8.150 nan 0.000 0.544 55 G N 1.231 110.004 108.800 -0.044 0.000 2.672 55 G HA2 0.030 3.992 3.960 0.003 0.000 0.197 55 G HA3 0.030 3.992 3.960 0.003 0.000 0.197 55 G C -0.124 174.795 174.900 0.033 0.000 0.995 55 G CA 0.145 45.211 45.100 -0.057 0.000 0.754 55 G HN 1.304 nan 8.290 nan 0.000 0.505 56 V N 0.821 120.767 119.914 0.054 0.000 2.715 56 V HA 0.866 4.987 4.120 0.003 0.000 0.310 56 V C -0.051 176.095 176.094 0.086 0.000 1.054 56 V CA -1.024 61.324 62.300 0.079 0.000 0.928 56 V CB 2.038 33.888 31.823 0.046 0.000 1.007 56 V HN 0.306 nan 8.190 nan 0.000 0.437 57 V N 2.252 122.213 119.914 0.079 0.000 2.709 57 V HA 0.416 4.537 4.120 0.003 0.000 0.308 57 V C -0.335 175.770 176.094 0.018 0.000 1.062 57 V CA -0.863 61.468 62.300 0.052 0.000 0.901 57 V CB 1.987 33.840 31.823 0.049 0.000 1.003 57 V HN 0.920 nan 8.190 nan 0.000 0.425 58 N N 1.910 120.624 118.700 0.023 0.000 2.470 58 N HA 0.366 5.107 4.740 0.003 0.000 0.268 58 N C 0.367 175.891 175.510 0.023 0.000 1.136 58 N CA -0.245 52.822 53.050 0.027 0.000 0.961 58 N CB 1.448 39.955 38.487 0.032 0.000 1.067 58 N HN 0.712 nan 8.380 nan 0.000 0.468 59 L N 1.914 123.159 121.223 0.037 0.000 2.435 59 L HA 0.340 4.682 4.340 0.003 0.000 0.195 59 L C 0.645 177.561 176.870 0.078 0.000 1.072 59 L CA 1.150 56.015 54.840 0.041 0.000 0.833 59 L CB 0.392 42.467 42.059 0.027 0.000 1.081 59 L HN 0.518 nan 8.230 nan 0.000 0.485 60 D N -1.070 119.404 120.400 0.124 0.000 2.540 60 D HA 0.091 4.733 4.640 0.003 0.000 0.229 60 D C -0.193 176.198 176.300 0.153 0.000 1.250 60 D CA 0.347 54.441 54.000 0.156 0.000 0.817 60 D CB 0.706 41.651 40.800 0.242 0.000 1.060 60 D HN 0.242 nan 8.370 nan 0.000 0.508 61 D N -0.401 120.066 120.400 0.112 0.000 2.614 61 D HA -0.292 4.349 4.640 0.003 0.000 0.182 61 D C 0.930 177.298 176.300 0.115 0.000 1.067 61 D CA 1.022 55.074 54.000 0.087 0.000 1.053 61 D CB -0.840 39.998 40.800 0.064 0.000 1.117 61 D HN 0.381 nan 8.370 nan 0.000 0.438 62 Y N -0.083 120.192 120.300 -0.042 0.000 2.314 62 Y HA 0.204 4.756 4.550 0.003 0.000 0.294 62 Y C 0.527 176.260 175.900 -0.279 0.000 1.139 62 Y CA 0.941 58.939 58.100 -0.170 0.000 1.162 62 Y CB 0.153 38.532 38.460 -0.136 0.000 1.121 62 Y HN -0.049 nan 8.280 nan 0.000 0.529 63 Y N -0.298 119.994 120.300 -0.014 0.000 2.621 63 Y HA 0.531 5.083 4.550 0.003 0.000 0.334 63 Y C -0.200 175.668 175.900 -0.053 0.000 1.074 63 Y CA -0.887 57.148 58.100 -0.109 0.000 1.149 63 Y CB 1.909 40.269 38.460 -0.167 0.000 1.302 63 Y HN -0.092 nan 8.280 nan 0.000 0.501 64 S N -0.377 115.411 115.700 0.146 0.000 2.566 64 S HA 0.643 5.115 4.470 0.003 0.000 0.273 64 S C -1.842 172.738 174.600 -0.033 0.000 1.157 64 S CA -0.914 57.310 58.200 0.039 0.000 0.938 64 S CB 0.707 63.929 63.200 0.037 0.000 1.087 64 S HN 0.349 nan 8.310 nan 0.000 0.474 65 V N 2.092 121.936 119.914 -0.117 0.000 2.465 65 V HA 0.781 4.903 4.120 0.003 0.000 0.279 65 V C 0.568 176.614 176.094 -0.080 0.000 1.045 65 V CA -0.249 61.914 62.300 -0.228 0.000 0.938 65 V CB 1.091 32.633 31.823 -0.468 0.000 0.986 65 V HN 1.209 nan 8.190 nan 0.000 0.467 66 A N 6.039 128.839 122.820 -0.033 0.000 2.303 66 A HA 0.943 5.264 4.320 0.003 0.000 0.320 66 A C -0.871 176.830 177.584 0.195 0.000 1.192 66 A CA -0.391 51.700 52.037 0.091 0.000 0.821 66 A CB 0.662 19.686 19.000 0.041 0.000 1.188 66 A HN 1.056 nan 8.150 nan 0.000 0.492 67 F N 0.533 120.435 119.950 -0.081 0.000 2.631 67 F HA 0.889 5.418 4.527 0.002 0.000 0.308 67 F C -0.965 174.799 175.800 -0.061 0.000 1.097 67 F CA -1.528 56.427 58.000 -0.074 0.000 0.952 67 F CB 1.262 40.207 39.000 -0.092 0.000 1.307 67 F HN 0.648 nan 8.300 nan 0.000 0.450 68 K N 2.510 122.805 120.400 -0.175 0.000 2.579 68 K HA 0.772 5.094 4.320 0.003 0.000 0.284 68 K C -2.361 174.155 176.600 -0.139 0.000 0.990 68 K CA -0.868 55.259 56.287 -0.267 0.000 0.880 68 K CB 3.035 35.441 32.500 -0.156 0.000 1.488 68 K HN 0.963 nan 8.250 nan 0.000 0.425 69 I N 1.325 121.817 120.570 -0.130 0.000 2.533 69 I HA 0.412 4.583 4.170 0.003 0.000 0.290 69 I C -1.329 174.778 176.117 -0.017 0.000 1.056 69 I CA -0.298 60.972 61.300 -0.051 0.000 1.057 69 I CB 1.910 39.879 38.000 -0.052 0.000 1.240 69 I HN 0.767 nan 8.210 nan 0.000 0.423 70 E N 3.885 124.103 120.200 0.030 0.000 2.320 70 E HA 0.591 4.943 4.350 0.003 0.000 0.264 70 E C -1.347 175.322 176.600 0.116 0.000 0.923 70 E CA -0.807 55.640 56.400 0.078 0.000 0.796 70 E CB 2.007 31.782 29.700 0.127 0.000 1.262 70 E HN 0.579 nan 8.360 nan 0.000 0.428 71 S N 1.409 117.188 115.700 0.132 0.000 2.596 71 S HA 0.384 4.855 4.470 0.003 0.000 0.318 71 S C -0.805 173.861 174.600 0.110 0.000 1.097 71 S CA -0.795 57.472 58.200 0.113 0.000 1.080 71 S CB 0.749 63.990 63.200 0.069 0.000 0.991 71 S HN 0.519 nan 8.310 nan 0.000 0.471 72 H N 3.645 122.737 119.070 0.038 0.000 2.360 72 H HA 0.330 4.887 4.556 0.002 0.000 0.233 72 H C -0.052 175.235 175.328 -0.068 0.000 1.473 72 H CA -0.521 55.546 56.048 0.032 0.000 1.352 72 H CB 0.532 30.300 29.762 0.010 0.000 1.493 72 H HN 0.671 nan 8.280 nan 0.000 0.533 73 N N 0.298 118.861 118.700 -0.228 0.000 2.387 73 N HA -0.078 4.663 4.740 0.003 0.000 0.176 73 N C 1.567 176.930 175.510 -0.245 0.000 1.022 73 N CA 0.464 53.354 53.050 -0.266 0.000 0.883 73 N CB 0.207 38.472 38.487 -0.369 0.000 1.019 73 N HN 0.633 nan 8.380 nan 0.000 0.435 74 H N 1.670 120.737 119.070 -0.005 0.000 2.299 74 H HA 0.030 4.588 4.556 0.003 0.000 0.302 74 H C -0.702 174.620 175.328 -0.010 0.000 1.078 74 H CA 1.028 57.062 56.048 -0.023 0.000 1.323 74 H CB -1.685 28.026 29.762 -0.085 0.000 1.381 74 H HN 0.265 nan 8.280 nan 0.000 0.498 75 P HA 0.034 nan 4.420 nan 0.000 0.229 75 P C 1.293 178.634 177.300 0.069 0.000 1.160 75 P CA 0.856 64.012 63.100 0.093 0.000 0.777 75 P CB 0.129 31.906 31.700 0.128 0.000 0.814 76 S N -0.245 115.488 115.700 0.055 0.000 2.496 76 S HA 0.117 4.589 4.470 0.003 0.000 0.224 76 S C 2.034 176.652 174.600 0.029 0.000 0.996 76 S CA 0.738 58.958 58.200 0.034 0.000 0.927 76 S CB -0.442 62.770 63.200 0.020 0.000 0.774 76 S HN 0.179 nan 8.310 nan 0.000 0.524 77 A N 2.224 125.063 122.820 0.032 0.000 1.855 77 A HA -0.031 4.291 4.320 0.003 0.000 0.215 77 A C 2.034 179.642 177.584 0.040 0.000 1.191 77 A CA 1.362 53.419 52.037 0.034 0.000 0.613 77 A CB -0.706 18.323 19.000 0.049 0.000 0.829 77 A HN 0.577 nan 8.150 nan 0.000 0.442 78 I N -2.361 118.239 120.570 0.049 0.000 2.193 78 I HA 0.028 4.199 4.170 0.003 0.000 0.240 78 I C 0.909 177.055 176.117 0.048 0.000 1.084 78 I CA 1.370 62.700 61.300 0.049 0.000 1.365 78 I CB -0.244 37.785 38.000 0.050 0.000 1.064 78 I HN 0.245 nan 8.210 nan 0.000 0.410 79 E N 0.954 121.185 120.200 0.053 0.000 2.255 79 E HA 0.336 4.687 4.350 0.003 0.000 0.256 79 E C -2.227 174.413 176.600 0.067 0.000 0.887 79 E CA -2.718 53.720 56.400 0.064 0.000 0.782 79 E CB 1.835 31.580 29.700 0.074 0.000 1.214 79 E HN -0.122 nan 8.360 nan 0.000 0.417 80 P HA -0.119 nan 4.420 nan 0.000 0.213 80 P C 0.762 178.121 177.300 0.100 0.000 1.170 80 P CA 0.978 64.123 63.100 0.074 0.000 0.893 80 P CB -0.114 31.630 31.700 0.072 0.000 0.784 81 Y N 1.296 121.610 120.300 0.023 0.000 2.034 81 Y HA -0.218 4.333 4.550 0.002 0.000 0.269 81 Y C 1.830 177.748 175.900 0.031 0.000 1.125 81 Y CA 1.806 59.925 58.100 0.031 0.000 1.097 81 Y CB -1.348 37.132 38.460 0.034 0.000 0.978 81 Y HN -0.122 nan 8.280 nan 0.000 0.480 82 N N 0.373 119.100 118.700 0.045 0.000 2.635 82 N HA -0.107 4.634 4.740 0.003 0.000 0.191 82 N C 1.521 176.984 175.510 -0.079 0.000 1.155 82 N CA 0.919 53.933 53.050 -0.061 0.000 0.927 82 N CB -0.280 38.270 38.487 0.104 0.000 0.976 82 N HN 0.627 nan 8.380 nan 0.000 0.448 83 G N 0.469 109.235 108.800 -0.058 0.000 2.497 83 G HA2 0.088 4.049 3.960 0.003 0.000 0.210 83 G HA3 0.088 4.049 3.960 0.003 0.000 0.210 83 G C 1.579 176.424 174.900 -0.092 0.000 1.177 83 G CA 0.591 45.671 45.100 -0.032 0.000 0.822 83 G HN 0.326 nan 8.290 nan 0.000 0.550 84 A N 1.127 123.880 122.820 -0.112 0.000 1.968 84 A HA 0.413 4.735 4.320 0.003 0.000 0.217 84 A C 2.714 180.141 177.584 -0.261 0.000 1.169 84 A CA 1.925 53.878 52.037 -0.139 0.000 0.638 84 A CB -0.611 18.340 19.000 -0.082 0.000 0.812 84 A HN 0.666 nan 8.150 nan 0.000 0.446 85 A N -0.778 121.846 122.820 -0.327 0.000 1.877 85 A HA -0.116 4.206 4.320 0.003 0.000 0.216 85 A C 2.300 179.530 177.584 -0.590 0.000 1.186 85 A CA 2.335 54.127 52.037 -0.410 0.000 0.620 85 A CB -1.344 17.393 19.000 -0.439 0.000 0.822 85 A HN 0.393 nan 8.150 nan 0.000 0.443 86 T N -0.236 114.076 114.554 -0.404 0.000 2.759 86 T HA -0.058 4.294 4.350 0.003 0.000 0.269 86 T C 1.920 176.263 174.700 -0.595 0.000 1.042 86 T CA 1.479 63.342 62.100 -0.396 0.000 1.140 86 T CB -0.602 68.142 68.868 -0.206 0.000 0.864 86 T HN 0.616 nan 8.240 nan 0.000 0.455 87 G N 0.981 109.422 108.800 -0.598 0.000 2.440 87 G HA2 -0.178 3.784 3.960 0.003 0.000 0.218 87 G HA3 -0.178 3.784 3.960 0.003 0.000 0.218 87 G C 1.664 176.270 174.900 -0.491 0.000 1.154 87 G CA 0.966 45.666 45.100 -0.668 0.000 0.767 87 G HN 0.463 nan 8.290 nan 0.000 0.552 88 V N 1.502 121.110 119.914 -0.510 0.000 2.515 88 V HA -0.028 4.094 4.120 0.003 0.000 0.250 88 V C 3.079 178.885 176.094 -0.480 0.000 1.058 88 V CA 1.737 63.774 62.300 -0.438 0.000 1.064 88 V CB -0.958 30.618 31.823 -0.412 0.000 0.675 88 V HN 0.430 nan 8.190 nan 0.000 0.461 89 G N 0.588 108.934 108.800 -0.756 0.000 2.433 89 G HA2 -0.153 3.808 3.960 0.003 0.000 0.216 89 G HA3 -0.153 3.808 3.960 0.003 0.000 0.216 89 G C 1.629 176.392 174.900 -0.229 0.000 1.186 89 G CA 0.875 45.703 45.100 -0.453 0.000 0.779 89 G HN 0.574 nan 8.290 nan 0.000 0.543 90 G N 0.269 108.913 108.800 -0.261 0.000 2.471 90 G HA2 -0.055 3.906 3.960 0.003 0.000 0.219 90 G HA3 -0.055 3.906 3.960 0.003 0.000 0.219 90 G C 1.615 176.463 174.900 -0.087 0.000 1.125 90 G CA 0.897 45.914 45.100 -0.138 0.000 0.775 90 G HN 0.398 nan 8.290 nan 0.000 0.548 91 I N 0.252 120.755 120.570 -0.113 0.000 2.867 91 I HA 0.205 4.377 4.170 0.003 0.000 0.265 91 I C 2.140 178.219 176.117 -0.063 0.000 1.162 91 I CA -0.040 61.222 61.300 -0.064 0.000 1.471 91 I CB 0.032 38.003 38.000 -0.048 0.000 1.123 91 I HN -0.019 nan 8.210 nan 0.000 0.440 92 I N 0.624 121.149 120.570 -0.074 0.000 2.315 92 I HA -0.210 3.962 4.170 0.003 0.000 0.248 92 I C 2.440 178.507 176.117 -0.083 0.000 1.117 92 I CA 1.285 62.554 61.300 -0.051 0.000 1.404 92 I CB -0.968 37.025 38.000 -0.012 0.000 1.071 92 I HN 0.288 nan 8.210 nan 0.000 0.419 93 R N 0.121 120.558 120.500 -0.104 0.000 2.090 93 R HA -0.134 4.208 4.340 0.003 0.000 0.228 93 R C 1.707 177.914 176.300 -0.156 0.000 1.110 93 R CA 0.965 56.971 56.100 -0.156 0.000 0.973 93 R CB -0.226 29.986 30.300 -0.145 0.000 0.869 93 R HN 0.235 nan 8.270 nan 0.000 0.440 94 D N 0.158 120.499 120.400 -0.099 0.000 2.350 94 D HA -0.063 4.578 4.640 0.003 0.000 0.216 94 D C 1.432 177.688 176.300 -0.075 0.000 0.968 94 D CA 0.592 54.547 54.000 -0.076 0.000 0.894 94 D CB 0.443 41.215 40.800 -0.046 0.000 0.909 94 D HN -0.003 nan 8.370 nan 0.000 0.520 95 V N 0.146 120.012 119.914 -0.079 0.000 2.795 95 V HA -0.045 4.076 4.120 0.003 0.000 0.243 95 V C 2.201 178.244 176.094 -0.086 0.000 1.069 95 V CA 0.355 62.622 62.300 -0.055 0.000 1.089 95 V CB 0.139 31.947 31.823 -0.025 0.000 0.756 95 V HN 0.134 nan 8.190 nan 0.000 0.471 96 L N 1.348 122.473 121.223 -0.163 0.000 2.201 96 L HA 0.064 4.406 4.340 0.003 0.000 0.212 96 L C 2.328 178.940 176.870 -0.431 0.000 1.105 96 L CA 2.021 56.694 54.840 -0.279 0.000 0.775 96 L CB -0.645 41.181 42.059 -0.389 0.000 0.913 96 L HN 0.228 nan 8.230 nan 0.000 0.440 97 A N -1.221 121.394 122.820 -0.341 0.000 2.178 97 A HA -0.145 4.177 4.320 0.003 0.000 0.218 97 A C 1.975 179.586 177.584 0.044 0.000 1.157 97 A CA 1.648 53.569 52.037 -0.194 0.000 0.689 97 A CB -0.549 18.391 19.000 -0.100 0.000 0.787 97 A HN 0.495 nan 8.150 nan 0.000 0.465 98 M N -1.651 117.967 119.600 0.030 0.000 2.371 98 M HA 0.269 4.750 4.480 0.003 0.000 0.246 98 M C 1.189 177.566 176.300 0.128 0.000 1.103 98 M CA 0.999 56.346 55.300 0.078 0.000 1.010 98 M CB 0.560 33.183 32.600 0.038 0.000 1.457 98 M HN 0.598 nan 8.290 nan 0.000 0.486 99 G N 0.098 109.023 108.800 0.208 0.000 2.136 99 G HA2 -0.131 3.831 3.960 0.003 0.000 0.242 99 G HA3 -0.131 3.831 3.960 0.003 0.000 0.242 99 G C 0.103 175.093 174.900 0.149 0.000 0.989 99 G CA 0.086 45.344 45.100 0.263 0.000 0.682 99 G HN 0.752 nan 8.290 nan 0.000 0.522 100 A N -0.322 122.550 122.820 0.086 0.000 2.312 100 A HA 0.838 5.159 4.320 0.003 0.000 0.328 100 A C 0.519 178.123 177.584 0.034 0.000 1.158 100 A CA -0.081 51.984 52.037 0.047 0.000 0.821 100 A CB 0.695 19.704 19.000 0.015 0.000 1.170 100 A HN 0.772 nan 8.150 nan 0.000 0.490 101 R N 2.240 122.758 120.500 0.030 0.000 2.267 101 R HA 0.329 4.671 4.340 0.003 0.000 0.319 101 R C -2.634 173.672 176.300 0.010 0.000 1.067 101 R CA -1.531 54.583 56.100 0.024 0.000 0.936 101 R CB 0.292 30.608 30.300 0.026 0.000 1.006 101 R HN 0.352 nan 8.270 nan 0.000 0.452 102 P HA -0.012 nan 4.420 nan 0.000 0.260 102 P C -0.245 177.074 177.300 0.031 0.000 1.207 102 P CA 0.448 63.557 63.100 0.015 0.000 0.780 102 P CB 0.974 32.680 31.700 0.010 0.000 0.789 103 T N 0.654 115.237 114.554 0.048 0.000 2.985 103 T HA 0.544 4.895 4.350 0.003 0.000 0.254 103 T C 0.432 175.200 174.700 0.114 0.000 1.021 103 T CA -0.173 61.974 62.100 0.080 0.000 0.957 103 T CB 0.390 69.328 68.868 0.117 0.000 1.047 103 T HN 0.396 nan 8.240 nan 0.000 0.511 104 A N 1.465 124.360 122.820 0.125 0.000 2.547 104 A HA 0.669 4.990 4.320 0.003 0.000 0.298 104 A C -1.204 176.484 177.584 0.173 0.000 1.062 104 A CA -1.206 50.922 52.037 0.152 0.000 0.748 104 A CB 0.759 19.918 19.000 0.265 0.000 1.288 104 A HN 0.646 nan 8.150 nan 0.000 0.396 105 I N -1.473 119.160 120.570 0.105 0.000 2.646 105 I HA 0.931 5.102 4.170 0.003 0.000 0.299 105 I C -1.149 175.022 176.117 0.089 0.000 1.036 105 I CA -0.954 60.416 61.300 0.116 0.000 1.074 105 I CB 1.923 39.924 38.000 0.002 0.000 1.258 105 I HN 0.458 nan 8.210 nan 0.000 0.430 106 F N 2.228 122.150 119.950 -0.047 0.000 2.546 106 F HA 0.471 5.000 4.527 0.002 0.000 0.320 106 F C -0.751 175.012 175.800 -0.062 0.000 1.076 106 F CA -0.545 57.428 58.000 -0.044 0.000 0.928 106 F CB 2.054 41.055 39.000 0.002 0.000 1.189 106 F HN 0.596 nan 8.300 nan 0.000 0.465 107 D N 1.017 121.469 120.400 0.086 0.000 2.505 107 D HA 0.126 4.767 4.640 0.003 0.000 0.250 107 D C -1.165 175.167 176.300 0.052 0.000 1.164 107 D CA -0.415 53.605 54.000 0.033 0.000 0.870 107 D CB 1.781 42.555 40.800 -0.045 0.000 1.160 107 D HN 0.279 nan 8.370 nan 0.000 0.549 108 S N 3.339 119.063 115.700 0.039 0.000 2.592 108 S HA 0.339 4.811 4.470 0.003 0.000 0.305 108 S C -0.566 173.924 174.600 -0.185 0.000 1.118 108 S CA -0.641 57.537 58.200 -0.038 0.000 1.075 108 S CB -0.378 62.866 63.200 0.074 0.000 1.107 108 S HN 0.329 nan 8.310 nan 0.000 0.503 109 L N 5.658 126.706 121.223 -0.291 0.000 2.307 109 L HA 0.525 4.867 4.340 0.003 0.000 0.282 109 L C 0.068 176.563 176.870 -0.625 0.000 1.051 109 L CA -0.078 54.583 54.840 -0.299 0.000 0.804 109 L CB 1.072 43.049 42.059 -0.137 0.000 1.197 109 L HN 0.584 nan 8.230 nan 0.000 0.431 110 H N 5.284 124.212 119.070 -0.237 0.000 3.092 110 H HA 0.563 5.120 4.556 0.002 0.000 0.308 110 H C -0.667 174.427 175.328 -0.389 0.000 1.047 110 H CA -0.263 55.489 56.048 -0.493 0.000 1.466 110 H CB 1.358 30.582 29.762 -0.897 0.000 1.597 110 H HN 0.556 nan 8.280 nan 0.000 0.512 111 M N 0.035 119.534 119.600 -0.168 0.000 2.846 111 M HA 0.236 4.718 4.480 0.003 0.000 0.282 111 M C 1.211 177.485 176.300 -0.043 0.000 1.266 111 M CA -0.769 54.493 55.300 -0.064 0.000 0.766 111 M CB 1.865 34.425 32.600 -0.067 0.000 1.739 111 M HN 0.341 nan 8.290 nan 0.000 0.442 112 S N -0.549 115.125 115.700 -0.043 0.000 2.439 112 S HA 0.153 4.625 4.470 0.003 0.000 0.224 112 S C 0.582 175.140 174.600 -0.070 0.000 1.029 112 S CA 0.081 58.245 58.200 -0.061 0.000 0.946 112 S CB 0.074 63.218 63.200 -0.093 0.000 0.797 112 S HN 0.734 nan 8.310 nan 0.000 0.504 113 R N 0.880 121.340 120.500 -0.066 0.000 2.739 113 R HA 0.444 4.785 4.340 0.003 0.000 0.271 113 R C -1.182 175.084 176.300 -0.056 0.000 1.010 113 R CA -1.003 55.062 56.100 -0.059 0.000 0.897 113 R CB 0.813 31.081 30.300 -0.054 0.000 1.236 113 R HN 0.296 nan 8.270 nan 0.000 0.466 114 I N 2.029 122.567 120.570 -0.054 0.000 2.593 114 I HA 0.189 4.361 4.170 0.003 0.000 0.304 114 I C 0.138 176.232 176.117 -0.038 0.000 1.176 114 I CA -0.055 61.215 61.300 -0.050 0.000 1.533 114 I CB -0.492 37.474 38.000 -0.057 0.000 1.492 114 I HN 0.315 nan 8.210 nan 0.000 0.704 115 I N 5.962 126.514 120.570 -0.030 0.000 2.576 115 I HA -0.059 4.112 4.170 0.003 0.000 0.288 115 I C 1.157 177.276 176.117 0.003 0.000 1.126 115 I CA 0.244 61.535 61.300 -0.015 0.000 1.362 115 I CB 0.089 38.083 38.000 -0.009 0.000 1.419 115 I HN 0.600 nan 8.210 nan 0.000 0.533 116 D N 5.450 125.850 120.400 -0.001 0.000 2.228 116 D HA -0.163 4.479 4.640 0.003 0.000 0.203 116 D C 1.975 178.304 176.300 0.048 0.000 0.988 116 D CA 1.531 55.536 54.000 0.009 0.000 0.864 116 D CB 0.110 40.906 40.800 -0.006 0.000 0.928 116 D HN 0.801 nan 8.370 nan 0.000 0.469 117 G N 1.149 109.983 108.800 0.057 0.000 2.404 117 G HA2 -0.188 3.774 3.960 0.003 0.000 0.215 117 G HA3 -0.188 3.774 3.960 0.003 0.000 0.215 117 G C 1.804 176.797 174.900 0.156 0.000 1.174 117 G CA 0.227 45.395 45.100 0.113 0.000 0.780 117 G HN 0.263 nan 8.290 nan 0.000 0.537 118 I N 0.373 120.999 120.570 0.093 0.000 2.353 118 I HA -0.053 4.118 4.170 0.003 0.000 0.248 118 I C 2.602 178.781 176.117 0.104 0.000 1.119 118 I CA 0.508 61.852 61.300 0.074 0.000 1.417 118 I CB -0.171 37.851 38.000 0.036 0.000 1.078 118 I HN 0.144 nan 8.210 nan 0.000 0.421 119 I N 0.810 121.448 120.570 0.113 0.000 2.163 119 I HA -0.268 3.904 4.170 0.003 0.000 0.240 119 I C 2.370 178.624 176.117 0.229 0.000 1.081 119 I CA 1.587 62.984 61.300 0.161 0.000 1.353 119 I CB -0.340 37.693 38.000 0.056 0.000 1.054 119 I HN 0.185 nan 8.210 nan 0.000 0.407 120 E N 0.620 120.937 120.200 0.196 0.000 2.333 120 E HA -0.159 4.193 4.350 0.003 0.000 0.198 120 E C 2.165 178.974 176.600 0.348 0.000 1.007 120 E CA 0.868 57.422 56.400 0.256 0.000 0.845 120 E CB -0.206 29.625 29.700 0.219 0.000 0.766 120 E HN 0.619 nan 8.360 nan 0.000 0.507 121 G N 1.120 110.066 108.800 0.244 0.000 2.414 121 G HA2 -0.224 3.738 3.960 0.003 0.000 0.215 121 G HA3 -0.224 3.738 3.960 0.003 0.000 0.215 121 G C 1.517 176.403 174.900 -0.024 0.000 1.188 121 G CA 0.462 45.541 45.100 -0.036 0.000 0.783 121 G HN 0.116 nan 8.290 nan 0.000 0.537 122 I N 1.622 122.216 120.570 0.039 0.000 2.493 122 I HA -0.004 4.167 4.170 0.003 0.000 0.254 122 I C 3.084 179.216 176.117 0.024 0.000 1.160 122 I CA 0.888 62.164 61.300 -0.040 0.000 1.445 122 I CB -0.062 37.843 38.000 -0.158 0.000 1.086 122 I HN 0.224 nan 8.210 nan 0.000 0.433 123 A N 0.636 123.594 122.820 0.229 0.000 1.832 123 A HA -0.198 4.124 4.320 0.003 0.000 0.214 123 A C 1.949 179.656 177.584 0.205 0.000 1.200 123 A CA 1.913 54.138 52.037 0.314 0.000 0.610 123 A CB -0.746 18.480 19.000 0.376 0.000 0.842 123 A HN 0.301 nan 8.150 nan 0.000 0.444 124 D N -2.225 118.306 120.400 0.217 0.000 2.309 124 D HA -0.098 4.543 4.640 0.003 0.000 0.212 124 D C 1.323 177.701 176.300 0.130 0.000 0.968 124 D CA 1.087 55.200 54.000 0.188 0.000 0.882 124 D CB -0.148 40.832 40.800 0.300 0.000 0.918 124 D HN 0.618 nan 8.370 nan 0.000 0.503 125 Y N 0.166 120.473 120.300 0.012 0.000 2.422 125 Y HA 0.228 4.780 4.550 0.003 0.000 0.291 125 Y C 2.393 178.276 175.900 -0.028 0.000 1.144 125 Y CA 1.086 59.169 58.100 -0.028 0.000 1.208 125 Y CB -0.143 38.262 38.460 -0.092 0.000 1.195 125 Y HN -0.056 nan 8.280 nan 0.000 0.535 126 G N 0.251 109.160 108.800 0.182 0.000 2.408 126 G HA2 -0.247 3.714 3.960 0.003 0.000 0.217 126 G HA3 -0.247 3.714 3.960 0.003 0.000 0.217 126 G C 1.367 176.296 174.900 0.048 0.000 1.150 126 G CA 1.088 46.239 45.100 0.084 0.000 0.776 126 G HN 0.326 nan 8.290 nan 0.000 0.542 127 N N 0.883 119.618 118.700 0.059 0.000 2.270 127 N HA -0.034 4.708 4.740 0.003 0.000 0.181 127 N C 2.308 177.831 175.510 0.022 0.000 1.016 127 N CA 0.950 54.031 53.050 0.053 0.000 0.870 127 N CB -0.212 38.324 38.487 0.083 0.000 0.979 127 N HN 0.173 nan 8.380 nan 0.000 0.431 128 S N 0.944 116.640 115.700 -0.006 0.000 2.481 128 S HA 0.074 4.546 4.470 0.003 0.000 0.231 128 S C 1.791 176.364 174.600 -0.045 0.000 0.996 128 S CA 0.316 58.493 58.200 -0.038 0.000 0.942 128 S CB -0.043 63.097 63.200 -0.100 0.000 0.768 128 S HN 0.489 nan 8.310 nan 0.000 0.520 129 I N -2.171 118.372 120.570 -0.045 0.000 3.956 129 I HA 0.453 4.624 4.170 0.003 0.000 0.333 129 I C 1.127 177.247 176.117 0.004 0.000 1.302 129 I CA 0.084 61.367 61.300 -0.028 0.000 1.122 129 I CB -0.486 37.501 38.000 -0.021 0.000 1.013 129 I HN 0.189 nan 8.210 nan 0.000 0.405 130 G N 2.307 111.113 108.800 0.010 0.000 2.246 130 G HA2 -0.197 3.764 3.960 0.003 0.000 0.273 130 G HA3 -0.197 3.764 3.960 0.003 0.000 0.273 130 G C -0.082 174.828 174.900 0.016 0.000 1.055 130 G CA 0.276 45.384 45.100 0.014 0.000 0.851 130 G HN 0.318 nan 8.290 nan 0.000 0.500 131 V N 2.053 121.978 119.914 0.019 0.000 2.357 131 V HA 0.454 4.576 4.120 0.003 0.000 0.284 131 V C -1.475 174.625 176.094 0.010 0.000 1.018 131 V CA -1.751 60.561 62.300 0.020 0.000 0.841 131 V CB 1.887 33.727 31.823 0.028 0.000 0.991 131 V HN 0.263 nan 8.190 nan 0.000 0.437 132 P HA 0.118 nan 4.420 nan 0.000 0.271 132 P C -0.105 177.170 177.300 -0.043 0.000 1.226 132 P CA -0.006 63.094 63.100 -0.001 0.000 0.765 132 P CB 0.523 32.222 31.700 -0.001 0.000 0.835 133 T N 2.196 116.710 114.554 -0.067 0.000 3.162 133 T HA 0.168 4.519 4.350 0.003 0.000 0.316 133 T C 1.188 175.749 174.700 -0.232 0.000 1.182 133 T CA -0.367 61.611 62.100 -0.204 0.000 1.015 133 T CB -0.468 68.182 68.868 -0.363 0.000 1.089 133 T HN 0.299 nan 8.240 nan 0.000 0.646 134 V N 0.117 119.814 119.914 -0.361 0.000 3.416 134 V HA 0.658 4.780 4.120 0.003 0.000 0.334 134 V C 0.855 176.465 176.094 -0.805 0.000 1.271 134 V CA -0.046 61.990 62.300 -0.439 0.000 1.274 134 V CB -1.482 30.186 31.823 -0.258 0.000 1.153 134 V HN 0.936 nan 8.190 nan 0.000 0.433 135 G N -1.873 106.395 108.800 -0.886 0.000 2.347 135 G HA2 0.576 4.537 3.960 0.003 0.000 0.321 135 G HA3 0.576 4.537 3.960 0.003 0.000 0.321 135 G C -0.507 174.025 174.900 -0.613 0.000 1.412 135 G CA 0.164 44.766 45.100 -0.831 0.000 0.990 135 G HN 1.568 nan 8.290 nan 0.000 0.637 136 G N -1.019 107.702 108.800 -0.131 0.000 2.322 136 G HA2 0.607 4.569 3.960 0.003 0.000 0.295 136 G HA3 0.607 4.569 3.960 0.003 0.000 0.295 136 G C -1.341 173.631 174.900 0.120 0.000 1.369 136 G CA -0.350 44.810 45.100 0.100 0.000 0.821 136 G HN 0.696 nan 8.290 nan 0.000 0.536 137 E N -1.258 118.996 120.200 0.091 0.000 2.232 137 E HA 0.662 5.013 4.350 0.003 0.000 0.265 137 E C -1.122 175.446 176.600 -0.052 0.000 1.001 137 E CA -0.813 55.606 56.400 0.033 0.000 0.870 137 E CB 2.421 32.117 29.700 -0.006 0.000 1.175 137 E HN 0.252 nan 8.360 nan 0.000 0.407 138 L N 2.331 123.523 121.223 -0.053 0.000 2.435 138 L HA 0.184 4.526 4.340 0.003 0.000 0.259 138 L C -1.355 175.478 176.870 -0.062 0.000 1.563 138 L CA -0.152 54.640 54.840 -0.080 0.000 0.789 138 L CB 0.538 42.587 42.059 -0.017 0.000 0.989 138 L HN 0.275 nan 8.230 nan 0.000 0.522 139 R N 2.653 123.080 120.500 -0.121 0.000 2.308 139 R HA 0.438 4.779 4.340 0.003 0.000 0.325 139 R C -0.496 175.672 176.300 -0.220 0.000 1.161 139 R CA -0.366 55.734 56.100 0.000 0.000 1.022 139 R CB 0.327 30.801 30.300 0.289 0.000 1.091 139 R HN 0.274 nan 8.270 nan 0.000 0.497 140 I N 1.395 121.828 120.570 -0.229 0.000 2.304 140 I HA 0.241 4.412 4.170 0.003 0.000 0.291 140 I C 0.532 176.413 176.117 -0.394 0.000 1.018 140 I CA -0.043 61.113 61.300 -0.240 0.000 1.260 140 I CB 1.100 39.023 38.000 -0.127 0.000 1.390 140 I HN 0.350 nan 8.210 nan 0.000 0.475 141 S N 3.266 118.767 115.700 -0.332 0.000 2.537 141 S HA 0.295 4.766 4.470 0.003 0.000 0.271 141 S C 0.582 175.133 174.600 -0.081 0.000 1.148 141 S CA -0.487 57.533 58.200 -0.299 0.000 0.868 141 S CB 1.518 64.353 63.200 -0.608 0.000 1.115 141 S HN 0.607 nan 8.310 nan 0.000 0.461 142 S N 3.243 118.905 115.700 -0.063 0.000 2.660 142 S HA 0.083 4.555 4.470 0.003 0.000 0.228 142 S C 1.350 175.924 174.600 -0.042 0.000 0.966 142 S CA 0.232 58.406 58.200 -0.043 0.000 0.940 142 S CB -0.492 62.690 63.200 -0.030 0.000 0.773 142 S HN 0.621 nan 8.310 nan 0.000 0.535 143 L N -0.751 120.428 121.223 -0.074 0.000 2.341 143 L HA 0.181 4.522 4.340 0.003 0.000 0.214 143 L C 1.095 177.799 176.870 -0.277 0.000 1.115 143 L CA 0.835 55.568 54.840 -0.178 0.000 0.820 143 L CB -0.251 41.652 42.059 -0.260 0.000 0.944 143 L HN 0.317 nan 8.230 nan 0.000 0.452 144 Y N -1.345 118.923 120.300 -0.053 0.000 2.493 144 Y HA 0.266 4.817 4.550 0.003 0.000 0.275 144 Y C 2.025 177.879 175.900 -0.077 0.000 1.183 144 Y CA 0.079 58.151 58.100 -0.046 0.000 1.258 144 Y CB -0.431 38.005 38.460 -0.041 0.000 1.108 144 Y HN 0.062 nan 8.280 nan 0.000 0.521 145 A N -0.016 122.792 122.820 -0.019 0.000 1.865 145 A HA -0.207 4.115 4.320 0.003 0.000 0.217 145 A C 1.530 178.940 177.584 -0.290 0.000 1.191 145 A CA 1.776 53.701 52.037 -0.186 0.000 0.623 145 A CB -0.588 18.230 19.000 -0.304 0.000 0.826 145 A HN 0.512 nan 8.150 nan 0.000 0.444 146 H N -1.551 117.419 119.070 -0.166 0.000 2.519 146 H HA 0.241 4.798 4.556 0.002 0.000 0.289 146 H C -0.505 174.719 175.328 -0.174 0.000 1.040 146 H CA 0.144 55.990 56.048 -0.335 0.000 1.165 146 H CB -0.176 29.078 29.762 -0.847 0.000 1.462 146 H HN 0.533 nan 8.280 nan 0.000 0.555 147 N N 1.716 120.442 118.700 0.043 0.000 2.732 147 N HA 0.105 4.846 4.740 0.003 0.000 0.247 147 N C -2.934 172.650 175.510 0.124 0.000 1.305 147 N CA -0.973 52.125 53.050 0.081 0.000 0.762 147 N CB 2.130 40.676 38.487 0.099 0.000 1.361 147 N HN 0.014 nan 8.380 nan 0.000 0.545 148 P HA 0.309 nan 4.420 nan 0.000 0.284 148 P C -0.995 176.326 177.300 0.035 0.000 1.258 148 P CA -0.406 62.728 63.100 0.058 0.000 0.824 148 P CB 1.829 33.536 31.700 0.012 0.000 1.038 149 L N 1.827 123.068 121.223 0.030 0.000 2.341 149 L HA 0.539 4.881 4.340 0.003 0.000 0.278 149 L C -0.392 176.517 176.870 0.064 0.000 1.005 149 L CA -1.092 53.773 54.840 0.042 0.000 0.818 149 L CB 2.306 44.397 42.059 0.054 0.000 1.259 149 L HN 0.073 nan 8.230 nan 0.000 0.418 150 V N 2.209 122.149 119.914 0.043 0.000 2.398 150 V HA 0.286 4.407 4.120 0.003 0.000 0.282 150 V C -0.718 175.411 176.094 0.058 0.000 1.014 150 V CA -0.652 61.670 62.300 0.037 0.000 0.838 150 V CB 1.415 33.249 31.823 0.019 0.000 1.018 150 V HN 0.745 nan 8.190 nan 0.000 0.432 151 N N 3.035 121.777 118.700 0.070 0.000 2.501 151 N HA 0.543 5.284 4.740 0.003 0.000 0.245 151 N C -0.507 175.039 175.510 0.061 0.000 0.974 151 N CA -0.526 52.568 53.050 0.074 0.000 0.941 151 N CB 2.125 40.667 38.487 0.091 0.000 1.122 151 N HN 0.560 nan 8.380 nan 0.000 0.507 152 V N 0.807 120.749 119.914 0.046 0.000 2.439 152 V HA 0.479 4.601 4.120 0.003 0.000 0.282 152 V C -0.004 176.119 176.094 0.048 0.000 1.039 152 V CA -0.880 61.438 62.300 0.031 0.000 0.913 152 V CB 1.289 33.092 31.823 -0.032 0.000 0.983 152 V HN 0.554 nan 8.190 nan 0.000 0.460 153 L N 4.800 126.080 121.223 0.096 0.000 2.318 153 L HA 0.862 5.203 4.340 0.003 0.000 0.277 153 L C 0.352 177.301 176.870 0.132 0.000 1.008 153 L CA -0.380 54.514 54.840 0.091 0.000 0.846 153 L CB 0.967 43.065 42.059 0.065 0.000 1.220 153 L HN 0.962 nan 8.230 nan 0.000 0.423 154 A N 4.240 127.110 122.820 0.082 0.000 2.304 154 A HA 0.908 5.230 4.320 0.003 0.000 0.301 154 A C -0.434 177.221 177.584 0.118 0.000 1.132 154 A CA -0.004 52.085 52.037 0.087 0.000 0.819 154 A CB 1.294 20.312 19.000 0.030 0.000 1.094 154 A HN 0.880 nan 8.150 nan 0.000 0.492 155 A N 0.475 123.367 122.820 0.120 0.000 2.498 155 A HA 0.914 5.235 4.320 0.003 0.000 0.298 155 A C -0.141 177.463 177.584 0.034 0.000 1.075 155 A CA -0.048 52.050 52.037 0.103 0.000 0.714 155 A CB 1.734 20.800 19.000 0.109 0.000 1.299 155 A HN 2.161 nan 8.150 nan 0.000 0.407 156 G N -0.544 108.238 108.800 -0.030 0.000 2.718 156 G HA2 0.590 4.552 3.960 0.003 0.000 0.295 156 G HA3 0.590 4.552 3.960 0.003 0.000 0.295 156 G C -1.603 173.220 174.900 -0.128 0.000 1.421 156 G CA -0.428 44.640 45.100 -0.053 0.000 0.902 156 G HN 0.980 nan 8.290 nan 0.000 0.501 157 V N 0.205 120.047 119.914 -0.120 0.000 2.630 157 V HA 0.833 4.955 4.120 0.003 0.000 0.305 157 V C -0.264 175.813 176.094 -0.030 0.000 1.046 157 V CA -0.652 61.558 62.300 -0.150 0.000 0.934 157 V CB 1.543 33.231 31.823 -0.224 0.000 1.003 157 V HN 0.839 nan 8.190 nan 0.000 0.451 158 V N 4.831 124.772 119.914 0.045 0.000 3.147 158 V HA 0.542 4.664 4.120 0.003 0.000 0.299 158 V C -0.659 175.549 176.094 0.191 0.000 1.302 158 V CA -0.861 61.507 62.300 0.112 0.000 1.015 158 V CB 2.599 34.461 31.823 0.065 0.000 1.086 158 V HN 0.922 nan 8.190 nan 0.000 0.437 159 R N 3.271 123.828 120.500 0.096 0.000 2.582 159 R HA 0.395 4.736 4.340 0.003 0.000 0.271 159 R C 0.736 177.013 176.300 -0.039 0.000 1.078 159 R CA -0.399 55.640 56.100 -0.102 0.000 1.127 159 R CB 0.408 30.602 30.300 -0.177 0.000 1.038 159 R HN 0.749 nan 8.270 nan 0.000 0.500 160 N N 1.435 120.102 118.700 -0.054 0.000 2.409 160 N HA -0.106 4.635 4.740 0.003 0.000 0.179 160 N C 0.191 175.698 175.510 -0.005 0.000 1.032 160 N CA 0.888 53.933 53.050 -0.008 0.000 0.898 160 N CB 0.198 38.688 38.487 0.004 0.000 0.971 160 N HN 0.629 nan 8.380 nan 0.000 0.441 161 D N -0.259 120.131 120.400 -0.017 0.000 2.328 161 D HA 0.010 4.652 4.640 0.003 0.000 0.226 161 D C 0.910 177.207 176.300 -0.006 0.000 1.066 161 D CA 0.253 54.248 54.000 -0.008 0.000 0.861 161 D CB 0.241 41.038 40.800 -0.006 0.000 0.912 161 D HN 0.165 nan 8.370 nan 0.000 0.521 162 M N 0.457 120.055 119.600 -0.003 0.000 2.327 162 M HA 0.216 4.697 4.480 0.003 0.000 0.365 162 M C 0.284 176.597 176.300 0.023 0.000 0.992 162 M CA -0.380 54.924 55.300 0.006 0.000 0.985 162 M CB 1.253 33.857 32.600 0.008 0.000 1.673 162 M HN -0.030 nan 8.290 nan 0.000 0.586 163 L N 1.721 122.958 121.223 0.025 0.000 2.456 163 L HA 0.196 4.537 4.340 0.003 0.000 0.272 163 L C -0.453 176.444 176.870 0.044 0.000 1.189 163 L CA -0.027 54.837 54.840 0.040 0.000 0.846 163 L CB 0.779 42.858 42.059 0.033 0.000 1.111 163 L HN -0.130 nan 8.230 nan 0.000 0.475 164 V N 3.851 123.806 119.914 0.069 0.000 2.581 164 V HA 0.291 4.413 4.120 0.003 0.000 0.303 164 V C 0.033 176.172 176.094 0.074 0.000 1.041 164 V CA -0.824 61.524 62.300 0.080 0.000 0.907 164 V CB 1.687 33.598 31.823 0.147 0.000 0.994 164 V HN 0.702 nan 8.190 nan 0.000 0.442 165 D N 1.785 122.222 120.400 0.062 0.000 2.414 165 D HA 0.293 4.934 4.640 0.003 0.000 0.259 165 D C 0.553 176.891 176.300 0.065 0.000 1.269 165 D CA 0.312 54.344 54.000 0.052 0.000 1.028 165 D CB 1.511 42.336 40.800 0.042 0.000 1.093 165 D HN 0.694 nan 8.370 nan 0.000 0.545 166 S N -1.487 114.243 115.700 0.051 0.000 2.941 166 S HA 0.280 4.751 4.470 0.003 0.000 0.248 166 S C -0.305 174.322 174.600 0.044 0.000 0.962 166 S CA -0.717 57.514 58.200 0.051 0.000 1.092 166 S CB 0.016 63.237 63.200 0.036 0.000 1.113 166 S HN 0.481 nan 8.310 nan 0.000 0.512 167 K N -0.591 119.836 120.400 0.046 0.000 2.575 167 K HA 0.782 5.104 4.320 0.003 0.000 0.279 167 K C -1.228 175.398 176.600 0.043 0.000 0.969 167 K CA -1.056 55.255 56.287 0.041 0.000 0.868 167 K CB 1.297 33.816 32.500 0.032 0.000 1.457 167 K HN 0.099 nan 8.250 nan 0.000 0.426 168 A N 1.314 124.161 122.820 0.044 0.000 2.302 168 A HA 0.326 4.648 4.320 0.003 0.000 0.295 168 A C 0.887 178.493 177.584 0.035 0.000 1.235 168 A CA -0.216 51.847 52.037 0.043 0.000 0.876 168 A CB 0.177 19.207 19.000 0.050 0.000 1.133 168 A HN 0.832 nan 8.150 nan 0.000 0.533 169 S N 3.187 118.905 115.700 0.030 0.000 2.348 169 S HA 0.015 4.487 4.470 0.003 0.000 0.219 169 S C 0.929 175.544 174.600 0.024 0.000 1.033 169 S CA 0.797 59.012 58.200 0.025 0.000 0.974 169 S CB -0.262 62.950 63.200 0.020 0.000 0.868 169 S HN 0.894 nan 8.310 nan 0.000 0.459 170 R N 1.039 121.553 120.500 0.023 0.000 2.854 170 R HA 0.759 5.101 4.340 0.003 0.000 0.271 170 R C -3.579 172.736 176.300 0.024 0.000 0.996 170 R CA -2.353 53.760 56.100 0.021 0.000 0.961 170 R CB 0.404 30.713 30.300 0.016 0.000 1.182 170 R HN 0.020 nan 8.270 nan 0.000 0.479 171 P HA 0.217 nan 4.420 nan 0.000 0.276 171 P C 0.124 177.438 177.300 0.023 0.000 1.244 171 P CA 0.355 63.471 63.100 0.027 0.000 0.801 171 P CB 1.125 32.841 31.700 0.026 0.000 1.006 172 G N -0.337 108.478 108.800 0.025 0.000 2.179 172 G HA2 -0.192 3.769 3.960 0.003 0.000 0.220 172 G HA3 -0.192 3.769 3.960 0.003 0.000 0.220 172 G C 0.040 174.952 174.900 0.020 0.000 0.990 172 G CA -0.391 44.721 45.100 0.020 0.000 0.646 172 G HN 0.537 nan 8.290 nan 0.000 0.517 173 Q N -0.259 119.556 119.800 0.024 0.000 2.221 173 Q HA 0.654 4.995 4.340 0.003 0.000 0.242 173 Q C 0.268 176.287 176.000 0.032 0.000 0.940 173 Q CA -0.313 55.505 55.803 0.024 0.000 0.896 173 Q CB 2.486 31.239 28.738 0.026 0.000 1.226 173 Q HN 0.760 nan 8.270 nan 0.000 0.463 174 V N -1.245 118.687 119.914 0.030 0.000 2.769 174 V HA 0.633 4.754 4.120 0.003 0.000 0.312 174 V C -0.566 175.556 176.094 0.046 0.000 1.061 174 V CA -0.968 61.355 62.300 0.039 0.000 0.931 174 V CB 1.513 33.352 31.823 0.027 0.000 1.010 174 V HN 0.621 nan 8.190 nan 0.000 0.433 175 I N 3.368 123.977 120.570 0.065 0.000 2.321 175 I HA 0.523 4.694 4.170 0.003 0.000 0.291 175 I C -0.500 175.669 176.117 0.087 0.000 0.998 175 I CA -0.785 60.563 61.300 0.081 0.000 1.227 175 I CB 1.793 39.851 38.000 0.097 0.000 1.368 175 I HN 0.422 nan 8.210 nan 0.000 0.466 176 V N 7.016 126.987 119.914 0.095 0.000 2.435 176 V HA 0.410 4.532 4.120 0.003 0.000 0.290 176 V C 0.142 176.355 176.094 0.197 0.000 1.030 176 V CA -0.609 61.757 62.300 0.110 0.000 0.881 176 V CB 2.022 33.876 31.823 0.052 0.000 0.983 176 V HN 0.441 nan 8.190 nan 0.000 0.445 177 I N 6.201 126.892 120.570 0.202 0.000 2.354 177 I HA 0.564 4.735 4.170 0.003 0.000 0.292 177 I C -0.348 175.965 176.117 0.327 0.000 0.989 177 I CA -0.100 61.340 61.300 0.232 0.000 1.188 177 I CB 1.278 39.365 38.000 0.146 0.000 1.342 177 I HN 0.737 nan 8.210 nan 0.000 0.457 178 F N 4.000 123.990 119.950 0.068 0.000 2.692 178 F HA 0.944 5.473 4.527 0.003 0.000 0.320 178 F C 0.087 175.912 175.800 0.041 0.000 1.123 178 F CA -0.423 57.612 58.000 0.058 0.000 0.961 178 F CB 1.322 40.346 39.000 0.040 0.000 1.383 178 F HN 0.711 nan 8.300 nan 0.000 0.483 179 G N 0.076 108.804 108.800 -0.121 0.000 2.301 179 G HA2 0.401 4.362 3.960 0.003 0.000 0.194 179 G HA3 0.401 4.362 3.960 0.003 0.000 0.194 179 G C -0.053 174.786 174.900 -0.100 0.000 1.266 179 G CA -0.068 44.862 45.100 -0.283 0.000 1.210 179 G HN 1.649 nan 8.290 nan 0.000 0.524 180 G N 0.069 108.831 108.800 -0.064 0.000 2.611 180 G HA2 0.658 4.620 3.960 0.003 0.000 0.273 180 G HA3 0.658 4.620 3.960 0.003 0.000 0.273 180 G C 0.715 175.743 174.900 0.214 0.000 1.305 180 G CA 0.994 46.134 45.100 0.066 0.000 1.010 180 G HN 1.999 nan 8.290 nan 0.000 0.509 181 A N -0.992 121.987 122.820 0.266 0.000 2.371 181 A HA 0.573 4.895 4.320 0.003 0.000 0.257 181 A C 0.453 178.094 177.584 0.096 0.000 1.089 181 A CA -0.082 52.071 52.037 0.194 0.000 0.794 181 A CB 0.284 19.362 19.000 0.130 0.000 1.029 181 A HN 0.572 nan 8.150 nan 0.000 0.488 182 T N 2.144 116.736 114.554 0.064 0.000 2.832 182 T HA 0.560 4.911 4.350 0.003 0.000 0.313 182 T C 0.660 175.363 174.700 0.005 0.000 1.035 182 T CA 0.294 62.413 62.100 0.032 0.000 0.950 182 T CB 0.929 69.817 68.868 0.033 0.000 0.984 182 T HN 0.987 nan 8.240 nan 0.000 0.486 183 G N 1.816 110.614 108.800 -0.003 0.000 3.212 183 G HA2 0.493 4.455 3.960 0.003 0.000 0.188 183 G HA3 0.493 4.455 3.960 0.003 0.000 0.188 183 G C -0.635 174.238 174.900 -0.046 0.000 1.254 183 G CA -1.021 44.065 45.100 -0.023 0.000 0.957 183 G HN 0.509 nan 8.290 nan 0.000 0.596 184 R N 0.512 120.984 120.500 -0.048 0.000 2.593 184 R HA 0.284 4.625 4.340 0.003 0.000 0.282 184 R C -0.784 175.497 176.300 -0.032 0.000 1.300 184 R CA 0.057 56.120 56.100 -0.063 0.000 1.221 184 R CB 0.297 30.559 30.300 -0.063 0.000 1.157 184 R HN 0.408 nan 8.270 nan 0.000 0.555 185 D N 0.305 120.687 120.400 -0.029 0.000 2.520 185 D HA 0.198 4.840 4.640 0.003 0.000 0.223 185 D C 0.382 176.678 176.300 -0.006 0.000 1.186 185 D CA 0.070 54.065 54.000 -0.008 0.000 0.821 185 D CB 1.567 42.367 40.800 0.001 0.000 1.072 185 D HN 0.581 nan 8.370 nan 0.000 0.518 204 K N 0.062 120.481 120.400 0.030 0.000 2.890 204 K HA 0.483 4.804 4.320 0.003 0.000 0.202 204 K C 0.068 176.686 176.600 0.030 0.000 1.592 204 K CA -0.119 56.186 56.287 0.031 0.000 1.197 204 K CB 0.517 33.037 32.500 0.033 0.000 1.913 204 K HN 0.003 nan 8.250 nan 0.000 0.550 205 L N 1.507 122.749 121.223 0.031 0.000 3.108 205 L HA 0.300 4.642 4.340 0.003 0.000 0.251 205 L C -0.181 176.703 176.870 0.023 0.000 1.315 205 L CA 0.204 55.061 54.840 0.030 0.000 1.048 205 L CB 0.552 42.637 42.059 0.044 0.000 1.432 205 L HN 0.301 nan 8.230 nan 0.000 0.543 206 S N -2.010 113.702 115.700 0.021 0.000 2.391 206 S HA 0.259 4.730 4.470 0.003 0.000 0.275 206 S C 0.259 174.872 174.600 0.023 0.000 1.032 206 S CA -0.317 57.892 58.200 0.015 0.000 1.421 206 S CB -0.507 62.700 63.200 0.011 0.000 1.176 206 S HN 0.175 nan 8.310 nan 0.000 0.615 207 I N 2.394 122.982 120.570 0.029 0.000 2.331 207 I HA 0.713 4.884 4.170 0.003 0.000 0.292 207 I C -0.649 175.490 176.117 0.037 0.000 0.998 207 I CA -0.680 60.642 61.300 0.037 0.000 1.267 207 I CB 1.120 39.145 38.000 0.043 0.000 1.386 207 I HN 0.288 nan 8.210 nan 0.000 0.476 208 Q N 4.638 124.460 119.800 0.038 0.000 2.379 208 Q HA 0.725 5.067 4.340 0.003 0.000 0.278 208 Q C -1.714 174.314 176.000 0.047 0.000 1.068 208 Q CA -1.073 54.753 55.803 0.040 0.000 0.816 208 Q CB 2.690 31.446 28.738 0.030 0.000 1.387 208 Q HN 0.528 nan 8.270 nan 0.000 0.413 209 V N 1.095 121.047 119.914 0.064 0.000 2.532 209 V HA 0.673 4.795 4.120 0.003 0.000 0.295 209 V C 0.607 176.755 176.094 0.091 0.000 1.041 209 V CA -0.282 62.070 62.300 0.086 0.000 0.926 209 V CB 1.488 33.381 31.823 0.116 0.000 0.992 209 V HN 0.886 nan 8.190 nan 0.000 0.457 210 G N 1.035 109.905 108.800 0.117 0.000 2.420 210 G HA2 0.418 4.380 3.960 0.003 0.000 0.284 210 G HA3 0.418 4.380 3.960 0.003 0.000 0.284 210 G C -0.744 174.266 174.900 0.182 0.000 1.177 210 G CA -0.147 45.074 45.100 0.202 0.000 0.841 210 G HN 0.675 nan 8.290 nan 0.000 0.527 211 D N 1.900 122.381 120.400 0.136 0.000 2.485 211 D HA 0.266 4.907 4.640 0.003 0.000 0.256 211 D C -1.114 175.142 176.300 -0.074 0.000 1.141 211 D CA -2.223 51.812 54.000 0.058 0.000 0.942 211 D CB 1.613 42.461 40.800 0.079 0.000 1.003 211 D HN 0.092 nan 8.370 nan 0.000 0.507 212 P HA -0.159 nan 4.420 nan 0.000 0.221 212 P C 1.458 178.614 177.300 -0.240 0.000 1.145 212 P CA 0.405 63.099 63.100 -0.678 0.000 0.795 212 P CB 0.066 31.209 31.700 -0.928 0.000 0.775 213 F N 1.850 121.682 119.950 -0.196 0.000 2.163 213 F HA 0.077 4.605 4.527 0.002 0.000 0.297 213 F C 2.291 178.043 175.800 -0.079 0.000 1.094 213 F CA 1.232 59.166 58.000 -0.110 0.000 1.290 213 F CB -1.011 37.947 39.000 -0.069 0.000 1.017 213 F HN -0.081 nan 8.300 nan 0.000 0.483 214 A N -0.219 122.404 122.820 -0.329 0.000 2.015 214 A HA -0.164 4.157 4.320 0.003 0.000 0.219 214 A C 2.091 179.511 177.584 -0.273 0.000 1.163 214 A CA 1.604 53.410 52.037 -0.385 0.000 0.646 214 A CB -0.883 18.008 19.000 -0.182 0.000 0.806 214 A HN 0.519 nan 8.150 nan 0.000 0.448 215 E N -0.022 120.065 120.200 -0.188 0.000 2.106 215 E HA -0.186 4.166 4.350 0.003 0.000 0.192 215 E C 1.951 178.476 176.600 -0.125 0.000 0.984 215 E CA 1.539 57.868 56.400 -0.119 0.000 0.806 215 E CB -0.057 29.622 29.700 -0.035 0.000 0.750 215 E HN 0.448 nan 8.360 nan 0.000 0.458 216 K N -0.336 119.973 120.400 -0.153 0.000 2.103 216 K HA -0.036 4.286 4.320 0.003 0.000 0.204 216 K C 1.692 178.228 176.600 -0.107 0.000 1.052 216 K CA 1.269 57.496 56.287 -0.100 0.000 0.945 216 K CB -0.042 32.421 32.500 -0.061 0.000 0.722 216 K HN 0.126 nan 8.250 nan 0.000 0.443 217 M N 0.259 119.729 119.600 -0.216 0.000 2.394 217 M HA 0.010 4.491 4.480 0.003 0.000 0.264 217 M C 1.788 178.038 176.300 -0.083 0.000 1.073 217 M CA 0.845 56.059 55.300 -0.143 0.000 1.111 217 M CB -0.718 31.692 32.600 -0.317 0.000 1.401 217 M HN 0.205 nan 8.290 nan 0.000 0.448 218 L N -0.091 121.066 121.223 -0.111 0.000 2.209 218 L HA 0.040 4.382 4.340 0.003 0.000 0.207 218 L C 2.035 178.910 176.870 0.008 0.000 1.094 218 L CA 1.218 56.016 54.840 -0.070 0.000 0.790 218 L CB -0.267 41.683 42.059 -0.182 0.000 0.932 218 L HN 0.123 nan 8.230 nan 0.000 0.447 219 I N -0.640 119.913 120.570 -0.028 0.000 2.193 219 I HA -0.183 3.988 4.170 0.003 0.000 0.240 219 I C 2.186 178.326 176.117 0.037 0.000 1.084 219 I CA 0.959 62.263 61.300 0.007 0.000 1.365 219 I CB -0.330 37.663 38.000 -0.012 0.000 1.064 219 I HN 0.222 nan 8.210 nan 0.000 0.410 220 E N 0.923 121.116 120.200 -0.011 0.000 2.268 220 E HA -0.128 4.223 4.350 0.003 0.000 0.195 220 E C 2.141 178.583 176.600 -0.263 0.000 0.995 220 E CA 1.106 57.485 56.400 -0.034 0.000 0.836 220 E CB -0.052 29.692 29.700 0.073 0.000 0.763 220 E HN 0.495 nan 8.360 nan 0.000 0.491 221 A N 0.624 123.225 122.820 -0.364 0.000 1.855 221 A HA -0.092 4.229 4.320 0.003 0.000 0.213 221 A C 2.010 179.532 177.584 -0.103 0.000 1.195 221 A CA 0.650 52.389 52.037 -0.497 0.000 0.610 221 A CB -0.744 18.155 19.000 -0.168 0.000 0.837 221 A HN 0.233 nan 8.150 nan 0.000 0.444 222 F N 0.338 120.285 119.950 -0.006 0.000 2.134 222 F HA -0.085 4.444 4.527 0.003 0.000 0.299 222 F C 1.851 177.643 175.800 -0.013 0.000 1.097 222 F CA 1.561 59.600 58.000 0.065 0.000 1.264 222 F CB -0.124 38.959 39.000 0.140 0.000 1.001 222 F HN 0.116 nan 8.300 nan 0.000 0.479 223 L N -0.185 121.162 121.223 0.207 0.000 2.456 223 L HA -0.147 4.194 4.340 0.003 0.000 0.224 223 L C 2.190 179.062 176.870 0.004 0.000 1.148 223 L CA 1.026 55.934 54.840 0.114 0.000 0.825 223 L CB -0.406 41.720 42.059 0.111 0.000 0.937 223 L HN 0.236 nan 8.230 nan 0.000 0.450 224 E N -0.411 119.759 120.200 -0.050 0.000 2.276 224 E HA -0.074 4.277 4.350 0.003 0.000 0.193 224 E C 2.197 178.733 176.600 -0.107 0.000 0.983 224 E CA 0.288 56.654 56.400 -0.057 0.000 0.861 224 E CB 0.213 29.889 29.700 -0.040 0.000 0.817 224 E HN 0.489 nan 8.360 nan 0.000 0.485 225 M N -0.081 119.405 119.600 -0.189 0.000 2.254 225 M HA -0.101 4.380 4.480 0.003 0.000 0.265 225 M C 2.161 178.312 176.300 -0.248 0.000 1.066 225 M CA 0.717 55.861 55.300 -0.261 0.000 1.123 225 M CB 0.164 32.512 32.600 -0.420 0.000 1.388 225 M HN -0.014 nan 8.290 nan 0.000 0.425 226 V N 0.498 120.269 119.914 -0.238 0.000 2.283 226 V HA -0.210 3.912 4.120 0.003 0.000 0.243 226 V C 1.992 178.036 176.094 -0.083 0.000 1.039 226 V CA 1.812 64.016 62.300 -0.160 0.000 1.016 226 V CB -0.577 31.202 31.823 -0.073 0.000 0.650 226 V HN 0.454 nan 8.190 nan 0.000 0.449 227 E N -0.388 119.778 120.200 -0.057 0.000 2.338 227 E HA -0.222 4.130 4.350 0.003 0.000 0.197 227 E C 1.942 178.518 176.600 -0.040 0.000 1.007 227 E CA 0.788 57.169 56.400 -0.031 0.000 0.849 227 E CB 0.039 29.732 29.700 -0.012 0.000 0.774 227 E HN 0.527 nan 8.360 nan 0.000 0.506 228 E N -0.259 119.904 120.200 -0.062 0.000 2.478 228 E HA 0.023 4.374 4.350 0.003 0.000 0.194 228 E C 0.775 177.337 176.600 -0.063 0.000 1.045 228 E CA 0.557 56.921 56.400 -0.060 0.000 0.868 228 E CB 0.285 29.940 29.700 -0.076 0.000 0.885 228 E HN 0.271 nan 8.360 nan 0.000 0.505 229 G N 0.774 109.532 108.800 -0.071 0.000 2.221 229 G HA2 -0.262 3.700 3.960 0.003 0.000 0.265 229 G HA3 -0.262 3.700 3.960 0.003 0.000 0.265 229 G C 0.528 175.383 174.900 -0.075 0.000 1.041 229 G CA 0.629 45.691 45.100 -0.064 0.000 0.807 229 G HN 0.337 nan 8.290 nan 0.000 0.502 230 L N -1.027 120.131 121.223 -0.109 0.000 2.640 230 L HA 0.254 4.595 4.340 0.003 0.000 0.230 230 L C 0.686 177.477 176.870 -0.132 0.000 1.123 230 L CA -0.080 54.692 54.840 -0.113 0.000 0.900 230 L CB 0.494 42.473 42.059 -0.134 0.000 1.146 230 L HN 0.126 nan 8.230 nan 0.000 0.484 231 V N 0.384 120.207 119.914 -0.153 0.000 2.350 231 V HA 0.157 4.278 4.120 0.003 0.000 0.276 231 V C 0.598 176.652 176.094 -0.065 0.000 1.028 231 V CA -0.192 62.017 62.300 -0.152 0.000 0.860 231 V CB 1.376 33.033 31.823 -0.277 0.000 0.990 231 V HN 0.248 nan 8.190 nan 0.000 0.453 232 E N 3.049 123.230 120.200 -0.032 0.000 2.498 232 E HA 0.447 4.799 4.350 0.003 0.000 0.203 232 E C 0.767 177.381 176.600 0.023 0.000 1.013 232 E CA 0.324 56.722 56.400 -0.003 0.000 0.927 232 E CB 1.267 30.965 29.700 -0.004 0.000 1.012 232 E HN 0.885 nan 8.360 nan 0.000 0.482 233 G N 0.370 109.194 108.800 0.041 0.000 2.404 233 G HA2 0.573 4.534 3.960 0.003 0.000 0.298 233 G HA3 0.573 4.534 3.960 0.003 0.000 0.298 233 G C -1.808 173.166 174.900 0.122 0.000 1.577 233 G CA -0.141 45.004 45.100 0.074 0.000 0.847 233 G HN 0.146 nan 8.290 nan 0.000 0.598 234 A N 0.122 123.037 122.820 0.158 0.000 2.608 234 A HA 0.937 5.259 4.320 0.003 0.000 0.292 234 A C -1.146 176.522 177.584 0.139 0.000 1.066 234 A CA -0.484 51.685 52.037 0.221 0.000 0.676 234 A CB 2.254 21.527 19.000 0.455 0.000 1.277 234 A HN 1.377 nan 8.150 nan 0.000 0.413 235 Q N 0.571 120.440 119.800 0.114 0.000 2.391 235 Q HA 0.452 4.793 4.340 0.003 0.000 0.279 235 Q C -1.605 174.405 176.000 0.018 0.000 1.028 235 Q CA -0.489 55.344 55.803 0.050 0.000 0.836 235 Q CB 1.833 30.600 28.738 0.049 0.000 1.414 235 Q HN 0.897 nan 8.270 nan 0.000 0.397 236 D N 1.998 122.385 120.400 -0.023 0.000 2.344 236 D HA 0.223 4.865 4.640 0.003 0.000 0.244 236 D C -0.642 175.645 176.300 -0.021 0.000 1.134 236 D CA -0.275 53.694 54.000 -0.051 0.000 0.930 236 D CB 1.012 41.773 40.800 -0.065 0.000 1.175 236 D HN 0.388 nan 8.370 nan 0.000 0.437 237 L N 1.742 122.945 121.223 -0.033 0.000 2.356 237 L HA 0.432 4.774 4.340 0.003 0.000 0.264 237 L C 0.933 177.799 176.870 -0.007 0.000 1.029 237 L CA -0.086 54.747 54.840 -0.012 0.000 0.897 237 L CB 1.341 43.390 42.059 -0.015 0.000 1.256 237 L HN 0.741 nan 8.230 nan 0.000 0.444 238 G N 1.022 109.832 108.800 0.016 0.000 2.930 238 G HA2 0.543 4.505 3.960 0.003 0.000 0.209 238 G HA3 0.543 4.505 3.960 0.003 0.000 0.209 238 G C -0.033 174.901 174.900 0.057 0.000 2.018 238 G CA 0.239 45.366 45.100 0.044 0.000 0.751 238 G HN 0.573 nan 8.290 nan 0.000 0.770 239 A N -0.661 122.211 122.820 0.087 0.000 2.477 239 A HA 0.505 4.826 4.320 0.003 0.000 0.246 239 A C 1.568 179.177 177.584 0.040 0.000 1.078 239 A CA 1.188 53.273 52.037 0.080 0.000 0.770 239 A CB -0.333 18.770 19.000 0.172 0.000 1.011 239 A HN 2.305 nan 8.150 nan 0.000 0.494 240 G N 1.378 110.189 108.800 0.019 0.000 2.396 240 G HA2 0.066 4.027 3.960 0.003 0.000 0.242 240 G HA3 0.066 4.027 3.960 0.003 0.000 0.242 240 G C 1.834 176.738 174.900 0.007 0.000 1.069 240 G CA 1.051 46.153 45.100 0.002 0.000 0.633 240 G HN 3.009 nan 8.290 nan 0.000 0.517 241 G N -1.000 107.809 108.800 0.015 0.000 2.527 241 G HA2 -0.120 3.842 3.960 0.003 0.000 0.268 241 G HA3 -0.120 3.842 3.960 0.003 0.000 0.268 241 G C 1.229 176.146 174.900 0.028 0.000 1.175 241 G CA 2.187 47.297 45.100 0.018 0.000 0.962 241 G HN 1.532 nan 8.290 nan 0.000 0.560 242 V N 0.665 120.603 119.914 0.039 0.000 2.469 242 V HA -0.141 3.981 4.120 0.003 0.000 0.251 242 V C 2.853 179.003 176.094 0.093 0.000 1.064 242 V CA 2.760 65.099 62.300 0.066 0.000 1.066 242 V CB -0.908 30.956 31.823 0.068 0.000 0.667 242 V HN 0.777 nan 8.190 nan 0.000 0.461 243 L N 0.478 121.746 121.223 0.075 0.000 1.988 243 L HA -0.074 4.267 4.340 0.003 0.000 0.207 243 L C 2.481 179.340 176.870 -0.019 0.000 1.071 243 L CA 2.452 57.338 54.840 0.076 0.000 0.744 243 L CB -0.752 41.315 42.059 0.014 0.000 0.893 243 L HN 0.269 nan 8.230 nan 0.000 0.433 244 S N -1.457 114.225 115.700 -0.031 0.000 2.603 244 S HA 0.116 4.587 4.470 0.003 0.000 0.229 244 S C 1.614 176.204 174.600 -0.016 0.000 0.972 244 S CA 0.733 58.907 58.200 -0.044 0.000 0.935 244 S CB -0.249 62.939 63.200 -0.020 0.000 0.769 244 S HN 0.629 nan 8.310 nan 0.000 0.536 245 A N 0.649 123.477 122.820 0.012 0.000 1.938 245 A HA 0.130 4.452 4.320 0.003 0.000 0.207 245 A C 2.227 179.840 177.584 0.049 0.000 1.292 245 A CA 1.068 53.125 52.037 0.033 0.000 0.700 245 A CB -1.063 17.965 19.000 0.046 0.000 0.947 245 A HN 0.615 nan 8.150 nan 0.000 0.476 246 T N -0.799 113.807 114.554 0.087 0.000 2.951 246 T HA -0.104 4.248 4.350 0.003 0.000 0.268 246 T C 2.017 176.779 174.700 0.104 0.000 1.073 246 T CA 1.813 63.996 62.100 0.138 0.000 1.134 246 T CB -0.527 68.476 68.868 0.224 0.000 0.884 246 T HN 0.572 nan 8.240 nan 0.000 0.479 247 S N 1.764 117.428 115.700 -0.059 0.000 2.395 247 S HA 0.024 4.495 4.470 0.003 0.000 0.225 247 S C 1.911 176.428 174.600 -0.138 0.000 1.027 247 S CA 0.473 58.486 58.200 -0.312 0.000 0.965 247 S CB -0.432 62.375 63.200 -0.656 0.000 0.812 247 S HN 0.588 nan 8.310 nan 0.000 0.482 248 E N 0.571 120.729 120.200 -0.070 0.000 2.482 248 E HA 0.213 4.565 4.350 0.003 0.000 0.196 248 E C 1.554 178.158 176.600 0.006 0.000 1.047 248 E CA 0.127 56.513 56.400 -0.024 0.000 0.869 248 E CB -0.116 29.580 29.700 -0.007 0.000 0.836 248 E HN 0.505 nan 8.360 nan 0.000 0.520 249 L N 0.156 121.392 121.223 0.022 0.000 2.446 249 L HA -0.030 4.311 4.340 0.003 0.000 0.219 249 L C 1.829 178.726 176.870 0.045 0.000 1.116 249 L CA 0.395 55.261 54.840 0.044 0.000 0.844 249 L CB 0.484 42.582 42.059 0.065 0.000 0.970 249 L HN 0.108 nan 8.230 nan 0.000 0.457 250 V N -6.087 113.851 119.914 0.040 0.000 3.477 250 V HA 0.376 4.498 4.120 0.003 0.000 0.297 250 V C 1.793 177.905 176.094 0.031 0.000 1.433 250 V CA 0.578 62.907 62.300 0.047 0.000 1.052 250 V CB 0.189 32.058 31.823 0.077 0.000 0.895 250 V HN 0.121 nan 8.190 nan 0.000 0.438 251 A N 0.966 123.793 122.820 0.013 0.000 2.021 251 A HA 0.167 4.489 4.320 0.003 0.000 0.216 251 A C 2.025 179.621 177.584 0.019 0.000 1.163 251 A CA 1.040 53.083 52.037 0.010 0.000 0.676 251 A CB -0.196 18.800 19.000 -0.006 0.000 0.818 251 A HN 0.522 nan 8.150 nan 0.000 0.453 252 K N -0.541 119.870 120.400 0.019 0.000 2.404 252 K HA 0.138 4.460 4.320 0.003 0.000 0.194 252 K C 1.242 177.855 176.600 0.022 0.000 1.023 252 K CA 0.463 56.761 56.287 0.019 0.000 1.094 252 K CB 0.298 32.808 32.500 0.017 0.000 0.841 252 K HN 0.384 nan 8.250 nan 0.000 0.523 253 G N 0.148 108.964 108.800 0.026 0.000 3.079 253 G HA2 -0.051 3.910 3.960 0.003 0.000 0.233 253 G HA3 -0.051 3.910 3.960 0.003 0.000 0.233 253 G C 0.282 175.199 174.900 0.029 0.000 1.062 253 G CA -0.325 44.792 45.100 0.028 0.000 0.809 253 G HN 0.220 nan 8.290 nan 0.000 0.535 254 N N -0.692 118.026 118.700 0.030 0.000 2.753 254 N HA -0.135 4.607 4.740 0.003 0.000 0.251 254 N C 0.303 175.836 175.510 0.038 0.000 1.097 254 N CA 0.861 53.931 53.050 0.033 0.000 0.786 254 N CB -1.016 37.488 38.487 0.028 0.000 1.137 254 N HN 0.331 nan 8.380 nan 0.000 0.566 255 L N -0.829 120.419 121.223 0.042 0.000 2.578 255 L HA 0.779 5.121 4.340 0.003 0.000 0.259 255 L C 1.433 178.342 176.870 0.064 0.000 1.082 255 L CA -0.467 54.402 54.840 0.048 0.000 0.843 255 L CB 0.974 43.060 42.059 0.046 0.000 1.535 255 L HN 0.018 nan 8.230 nan 0.000 0.510 256 G N -1.267 107.577 108.800 0.072 0.000 3.140 256 G HA2 0.812 4.774 3.960 0.003 0.000 0.271 256 G HA3 0.812 4.774 3.960 0.003 0.000 0.271 256 G C -1.920 173.045 174.900 0.109 0.000 1.370 256 G CA -0.264 44.896 45.100 0.101 0.000 1.014 256 G HN 0.793 nan 8.290 nan 0.000 0.541 257 A N -0.825 122.072 122.820 0.128 0.000 2.594 257 A HA 0.647 4.968 4.320 0.003 0.000 0.296 257 A C -1.332 176.239 177.584 -0.021 0.000 1.061 257 A CA -0.550 51.539 52.037 0.086 0.000 0.689 257 A CB 1.012 20.103 19.000 0.152 0.000 1.280 257 A HN 0.729 nan 8.150 nan 0.000 0.406 258 I N 2.078 122.616 120.570 -0.053 0.000 2.354 258 I HA 0.426 4.597 4.170 0.003 0.000 0.286 258 I C -0.622 175.383 176.117 -0.187 0.000 1.007 258 I CA -0.884 60.323 61.300 -0.154 0.000 1.167 258 I CB 1.569 39.495 38.000 -0.123 0.000 1.320 258 I HN 0.285 nan 8.210 nan 0.000 0.458 259 V N 5.415 125.162 119.914 -0.279 0.000 2.394 259 V HA 0.272 4.394 4.120 0.003 0.000 0.282 259 V C 0.074 176.039 176.094 -0.214 0.000 1.031 259 V CA -0.590 61.602 62.300 -0.180 0.000 0.881 259 V CB 0.857 32.576 31.823 -0.174 0.000 0.982 259 V HN 0.580 nan 8.190 nan 0.000 0.451 260 H N 5.879 124.937 119.070 -0.020 0.000 2.641 260 H HA 0.339 4.896 4.556 0.003 0.000 0.295 260 H C 0.507 175.848 175.328 0.021 0.000 1.070 260 H CA -0.319 55.725 56.048 -0.006 0.000 1.257 260 H CB 1.711 31.461 29.762 -0.021 0.000 1.393 260 H HN 0.557 nan 8.280 nan 0.000 0.464 261 L N 1.879 123.196 121.223 0.158 0.000 2.554 261 L HA -0.077 4.265 4.340 0.003 0.000 0.226 261 L C 1.946 178.928 176.870 0.187 0.000 1.137 261 L CA 0.462 55.413 54.840 0.185 0.000 0.863 261 L CB -0.021 42.178 42.059 0.234 0.000 0.985 261 L HN 0.617 nan 8.230 nan 0.000 0.451 262 D N -0.468 119.955 120.400 0.038 0.000 2.347 262 D HA -0.139 4.502 4.640 0.003 0.000 0.215 262 D C 1.604 177.874 176.300 -0.050 0.000 0.976 262 D CA 0.320 54.227 54.000 -0.155 0.000 0.884 262 D CB 0.101 40.650 40.800 -0.418 0.000 0.915 262 D HN 0.213 nan 8.370 nan 0.000 0.526 263 R N 0.771 121.276 120.500 0.009 0.000 2.334 263 R HA 0.199 4.541 4.340 0.003 0.000 0.216 263 R C 0.175 176.504 176.300 0.049 0.000 0.905 263 R CA -0.130 55.979 56.100 0.015 0.000 1.064 263 R CB 0.448 30.756 30.300 0.013 0.000 1.046 263 R HN 0.108 nan 8.270 nan 0.000 0.508 264 V N 3.611 123.564 119.914 0.066 0.000 2.488 264 V HA 0.148 4.270 4.120 0.003 0.000 0.277 264 V C -2.074 174.059 176.094 0.066 0.000 1.046 264 V CA -1.616 60.730 62.300 0.077 0.000 0.986 264 V CB 1.108 32.979 31.823 0.080 0.000 0.989 264 V HN -0.046 nan 8.190 nan 0.000 0.475 265 P HA 0.149 nan 4.420 nan 0.000 0.263 265 P C -0.706 176.614 177.300 0.033 0.000 1.276 265 P CA 0.020 63.160 63.100 0.067 0.000 0.986 265 P CB 0.015 31.809 31.700 0.156 0.000 1.105 266 L N 2.739 123.962 121.223 -0.000 0.000 2.375 266 L HA 0.400 4.741 4.340 0.003 0.000 0.271 266 L C 1.931 178.773 176.870 -0.047 0.000 1.107 266 L CA 0.041 54.875 54.840 -0.010 0.000 0.806 266 L CB 0.677 42.737 42.059 0.002 0.000 1.146 266 L HN 0.227 nan 8.230 nan 0.000 0.447 267 R N 0.527 121.007 120.500 -0.035 0.000 2.123 267 R HA 0.171 4.512 4.340 0.003 0.000 0.209 267 R C -0.226 176.050 176.300 -0.040 0.000 1.078 267 R CA 0.405 56.478 56.100 -0.044 0.000 1.028 267 R CB 0.512 30.804 30.300 -0.014 0.000 0.939 267 R HN 0.725 nan 8.270 nan 0.000 0.463 268 E N 1.691 121.872 120.200 -0.031 0.000 2.149 268 E HA 0.167 4.518 4.350 0.003 0.000 0.255 268 E C -2.084 174.503 176.600 -0.022 0.000 0.888 268 E CA -1.959 54.425 56.400 -0.027 0.000 0.742 268 E CB 1.945 31.627 29.700 -0.030 0.000 1.164 268 E HN 0.194 nan 8.360 nan 0.000 0.422 269 P HA -0.195 nan 4.420 nan 0.000 0.226 269 P C 0.020 177.330 177.300 0.017 0.000 1.146 269 P CA 1.043 64.146 63.100 0.006 0.000 0.773 269 P CB 0.168 31.870 31.700 0.004 0.000 0.772 270 D N -1.217 119.181 120.400 -0.003 0.000 2.519 270 D HA 0.063 4.704 4.640 0.003 0.000 0.238 270 D C 0.364 176.641 176.300 -0.039 0.000 1.192 270 D CA -0.083 53.911 54.000 -0.009 0.000 0.835 270 D CB -0.210 40.584 40.800 -0.010 0.000 0.975 270 D HN 0.216 nan 8.370 nan 0.000 0.490 271 M N 1.046 120.613 119.600 -0.054 0.000 2.277 271 M HA 0.184 4.665 4.480 0.003 0.000 0.350 271 M C 0.116 176.311 176.300 -0.176 0.000 1.180 271 M CA -0.393 54.832 55.300 -0.124 0.000 1.103 271 M CB 1.938 34.462 32.600 -0.127 0.000 1.577 271 M HN -0.132 nan 8.290 nan 0.000 0.459 272 E N 3.202 123.255 120.200 -0.246 0.000 2.331 272 E HA 0.108 4.460 4.350 0.003 0.000 0.272 272 E C -1.787 174.610 176.600 -0.338 0.000 1.036 272 E CA -1.662 54.586 56.400 -0.253 0.000 0.864 272 E CB 0.675 30.303 29.700 -0.120 0.000 1.035 272 E HN 0.371 nan 8.360 nan 0.000 0.408 273 P HA -0.250 nan 4.420 nan 0.000 0.219 273 P C 0.857 178.123 177.300 -0.057 0.000 1.153 273 P CA 1.416 64.363 63.100 -0.254 0.000 0.865 273 P CB -0.033 31.519 31.700 -0.246 0.000 0.788 274 W N -0.220 121.038 121.300 -0.070 0.000 2.476 274 W HA 0.056 4.717 4.660 0.002 0.000 0.281 274 W C 1.219 177.712 176.519 -0.043 0.000 1.230 274 W CA 0.709 58.023 57.345 -0.051 0.000 1.287 274 W CB -1.158 28.275 29.460 -0.045 0.000 1.108 274 W HN 0.051 nan 8.180 nan 0.000 0.567 275 E N 1.085 120.789 120.200 -0.827 0.000 2.274 275 E HA -0.086 4.265 4.350 0.003 0.000 0.194 275 E C 2.200 178.603 176.600 -0.329 0.000 0.996 275 E CA 1.152 57.071 56.400 -0.802 0.000 0.840 275 E CB -0.151 28.987 29.700 -0.936 0.000 0.772 275 E HN 0.304 nan 8.360 nan 0.000 0.491 276 I N 0.251 120.693 120.570 -0.214 0.000 2.500 276 I HA -0.173 3.998 4.170 0.003 0.000 0.252 276 I C 2.150 178.249 176.117 -0.030 0.000 1.142 276 I CA 0.316 61.564 61.300 -0.086 0.000 1.451 276 I CB 0.049 38.034 38.000 -0.026 0.000 1.093 276 I HN 0.134 nan 8.210 nan 0.000 0.430 277 L N 0.546 121.760 121.223 -0.014 0.000 2.049 277 L HA -0.010 4.332 4.340 0.003 0.000 0.203 277 L C 2.049 178.935 176.870 0.028 0.000 1.074 277 L CA 1.652 56.511 54.840 0.032 0.000 0.749 277 L CB -0.224 41.872 42.059 0.061 0.000 0.907 277 L HN 0.060 nan 8.230 nan 0.000 0.439 278 I N -0.694 119.893 120.570 0.029 0.000 3.444 278 I HA 0.016 4.188 4.170 0.003 0.000 0.287 278 I C 1.063 177.179 176.117 -0.001 0.000 1.302 278 I CA 0.201 61.523 61.300 0.037 0.000 1.368 278 I CB -0.451 37.629 38.000 0.132 0.000 1.048 278 I HN 0.166 nan 8.210 nan 0.000 0.487 279 S N 1.200 116.881 115.700 -0.032 0.000 2.509 279 S HA -0.000 4.471 4.470 0.003 0.000 0.287 279 S C 0.833 175.426 174.600 -0.011 0.000 1.248 279 S CA -0.043 58.135 58.200 -0.038 0.000 1.089 279 S CB -0.118 63.056 63.200 -0.044 0.000 0.900 279 S HN 0.407 nan 8.310 nan 0.000 0.496 280 E N 3.504 123.700 120.200 -0.007 0.000 2.405 280 E HA 0.135 4.487 4.350 0.003 0.000 0.214 280 E C -0.292 176.311 176.600 0.005 0.000 1.101 280 E CA -0.234 56.168 56.400 0.003 0.000 1.254 280 E CB 0.462 30.165 29.700 0.005 0.000 1.240 280 E HN 0.474 nan 8.360 nan 0.000 0.439 281 S N 1.577 117.278 115.700 0.002 0.000 2.564 281 S HA 0.075 4.547 4.470 0.003 0.000 0.278 281 S C 0.411 175.013 174.600 0.004 0.000 1.333 281 S CA -0.167 58.037 58.200 0.007 0.000 1.048 281 S CB 1.033 64.239 63.200 0.010 0.000 0.900 281 S HN 0.272 nan 8.310 nan 0.000 0.505 282 Q N 0.947 120.750 119.800 0.006 0.000 2.222 282 Q HA 0.249 4.590 4.340 0.003 0.000 0.211 282 Q C -0.092 175.899 176.000 -0.014 0.000 1.013 282 Q CA -0.440 55.360 55.803 -0.005 0.000 0.993 282 Q CB 0.295 29.035 28.738 0.004 0.000 1.151 282 Q HN 0.663 nan 8.270 nan 0.000 0.544 283 E N -0.544 119.636 120.200 -0.034 0.000 3.070 283 E HA -0.209 4.142 4.350 0.003 0.000 0.285 283 E C -1.018 175.493 176.600 -0.148 0.000 0.972 283 E CA 0.796 57.151 56.400 -0.075 0.000 0.915 283 E CB -0.779 28.892 29.700 -0.050 0.000 1.466 283 E HN 0.319 nan 8.360 nan 0.000 0.432 284 R N -0.416 120.003 120.500 -0.136 0.000 2.668 284 R HA 0.668 5.009 4.340 0.003 0.000 0.279 284 R C 0.018 176.184 176.300 -0.224 0.000 0.976 284 R CA -0.721 55.272 56.100 -0.179 0.000 0.978 284 R CB 1.077 31.331 30.300 -0.077 0.000 1.133 284 R HN -0.034 nan 8.270 nan 0.000 0.484 285 M N 0.690 120.105 119.600 -0.308 0.000 2.593 285 M HA 0.514 4.995 4.480 0.003 0.000 0.290 285 M C -1.440 174.879 176.300 0.031 0.000 1.244 285 M CA -0.740 54.437 55.300 -0.204 0.000 0.857 285 M CB 2.448 34.818 32.600 -0.383 0.000 1.738 285 M HN 0.738 nan 8.290 nan 0.000 0.461 286 A N 2.321 125.230 122.820 0.148 0.000 2.343 286 A HA 0.813 5.135 4.320 0.003 0.000 0.316 286 A C -1.263 176.492 177.584 0.284 0.000 1.104 286 A CA -0.557 51.604 52.037 0.206 0.000 0.768 286 A CB 1.206 20.285 19.000 0.131 0.000 1.213 286 A HN 0.529 nan 8.150 nan 0.000 0.456 287 V N 2.571 122.643 119.914 0.264 0.000 2.656 287 V HA 0.466 4.587 4.120 0.003 0.000 0.307 287 V C -0.478 175.679 176.094 0.105 0.000 1.051 287 V CA -0.625 61.791 62.300 0.195 0.000 0.893 287 V CB 1.906 33.801 31.823 0.121 0.000 0.999 287 V HN 0.659 nan 8.190 nan 0.000 0.426 288 V N 3.576 123.535 119.914 0.075 0.000 2.347 288 V HA 0.716 4.838 4.120 0.003 0.000 0.280 288 V C 0.184 176.287 176.094 0.016 0.000 1.021 288 V CA 0.067 62.397 62.300 0.050 0.000 0.847 288 V CB 1.355 33.211 31.823 0.055 0.000 0.990 288 V HN 1.029 nan 8.190 nan 0.000 0.444 289 T N 2.937 117.494 114.554 0.005 0.000 2.778 289 T HA 0.486 4.837 4.350 0.003 0.000 0.293 289 T C -0.390 174.305 174.700 -0.008 0.000 1.144 289 T CA -0.319 61.771 62.100 -0.017 0.000 1.010 289 T CB 2.102 70.942 68.868 -0.046 0.000 1.325 289 T HN 0.538 nan 8.240 nan 0.000 0.515 290 S N 2.671 118.362 115.700 -0.016 0.000 2.586 290 S HA 0.377 4.849 4.470 0.003 0.000 0.274 290 S C -1.576 173.015 174.600 -0.014 0.000 1.281 290 S CA -1.148 57.046 58.200 -0.010 0.000 1.035 290 S CB 1.515 64.708 63.200 -0.012 0.000 0.962 290 S HN 0.642 nan 8.310 nan 0.000 0.512 291 P HA -0.126 nan 4.420 nan 0.000 0.229 291 P C 0.330 177.619 177.300 -0.017 0.000 1.150 291 P CA 1.056 64.149 63.100 -0.012 0.000 0.765 291 P CB 0.193 31.889 31.700 -0.007 0.000 0.783 292 Q N -0.329 119.460 119.800 -0.018 0.000 2.376 292 Q HA 0.084 4.425 4.340 0.003 0.000 0.206 292 Q C 1.679 177.663 176.000 -0.027 0.000 0.921 292 Q CA 0.702 56.493 55.803 -0.020 0.000 0.911 292 Q CB 0.092 28.819 28.738 -0.017 0.000 1.032 292 Q HN 0.273 nan 8.270 nan 0.000 0.510 293 K N -0.141 120.239 120.400 -0.032 0.000 2.387 293 K HA 0.271 4.592 4.320 0.003 0.000 0.198 293 K C 1.123 177.690 176.600 -0.056 0.000 1.022 293 K CA 0.262 56.523 56.287 -0.045 0.000 1.128 293 K CB 0.678 33.149 32.500 -0.048 0.000 0.853 293 K HN 0.065 nan 8.250 nan 0.000 0.523 294 A N 1.026 123.818 122.820 -0.047 0.000 2.081 294 A HA -0.058 4.264 4.320 0.003 0.000 0.214 294 A C 2.047 179.600 177.584 -0.052 0.000 1.158 294 A CA 0.902 52.907 52.037 -0.052 0.000 0.724 294 A CB -0.116 18.863 19.000 -0.035 0.000 0.826 294 A HN 0.275 nan 8.150 nan 0.000 0.463 295 S N -0.923 114.752 115.700 -0.042 0.000 2.481 295 S HA 0.008 4.479 4.470 0.003 0.000 0.231 295 S C 1.845 176.420 174.600 -0.042 0.000 0.996 295 S CA 0.668 58.846 58.200 -0.036 0.000 0.942 295 S CB -0.185 62.999 63.200 -0.027 0.000 0.768 295 S HN 0.460 nan 8.310 nan 0.000 0.520 296 R N 0.174 120.642 120.500 -0.053 0.000 2.265 296 R HA 0.411 4.752 4.340 0.003 0.000 0.194 296 R C 1.830 178.078 176.300 -0.087 0.000 0.931 296 R CA 0.227 56.291 56.100 -0.059 0.000 1.032 296 R CB -0.196 30.070 30.300 -0.056 0.000 0.980 296 R HN 0.493 nan 8.270 nan 0.000 0.497 297 I N 0.527 121.030 120.570 -0.112 0.000 2.584 297 I HA -0.140 4.031 4.170 0.003 0.000 0.255 297 I C 1.706 177.707 176.117 -0.193 0.000 1.145 297 I CA 0.699 61.890 61.300 -0.182 0.000 1.462 297 I CB 0.245 38.123 38.000 -0.205 0.000 1.102 297 I HN 0.093 nan 8.210 nan 0.000 0.433 298 L N -0.115 121.036 121.223 -0.119 0.000 2.240 298 L HA -0.104 4.238 4.340 0.003 0.000 0.211 298 L C 2.084 178.926 176.870 -0.046 0.000 1.106 298 L CA 0.942 55.735 54.840 -0.078 0.000 0.793 298 L CB -0.491 41.549 42.059 -0.031 0.000 0.927 298 L HN 0.231 nan 8.230 nan 0.000 0.446 299 E N 0.408 120.582 120.200 -0.044 0.000 2.208 299 E HA -0.122 4.230 4.350 0.003 0.000 0.193 299 E C 2.217 178.813 176.600 -0.006 0.000 0.988 299 E CA 0.788 57.177 56.400 -0.018 0.000 0.828 299 E CB 0.128 29.817 29.700 -0.020 0.000 0.763 299 E HN 0.512 nan 8.360 nan 0.000 0.478 300 I N 0.599 121.150 120.570 -0.032 0.000 2.500 300 I HA -0.147 4.025 4.170 0.003 0.000 0.252 300 I C 2.412 178.574 176.117 0.075 0.000 1.142 300 I CA 0.499 61.810 61.300 0.017 0.000 1.451 300 I CB -0.112 37.841 38.000 -0.079 0.000 1.093 300 I HN 0.060 nan 8.210 nan 0.000 0.430 301 A N 0.838 123.637 122.820 -0.034 0.000 1.872 301 A HA -0.175 4.147 4.320 0.003 0.000 0.214 301 A C 2.383 180.002 177.584 0.059 0.000 1.187 301 A CA 1.299 53.347 52.037 0.019 0.000 0.614 301 A CB -0.514 18.476 19.000 -0.018 0.000 0.826 301 A HN 0.237 nan 8.150 nan 0.000 0.442 302 R N -0.406 120.119 120.500 0.041 0.000 2.189 302 R HA -0.070 4.272 4.340 0.003 0.000 0.223 302 R C 2.169 178.484 176.300 0.025 0.000 1.092 302 R CA 1.456 57.581 56.100 0.042 0.000 0.989 302 R CB -0.116 30.215 30.300 0.052 0.000 0.876 302 R HN 0.544 nan 8.270 nan 0.000 0.457 303 K N -0.768 119.650 120.400 0.031 0.000 2.167 303 K HA -0.100 4.221 4.320 0.003 0.000 0.203 303 K C 0.380 176.895 176.600 -0.142 0.000 1.052 303 K CA 1.165 57.430 56.287 -0.037 0.000 0.956 303 K CB 0.195 32.683 32.500 -0.021 0.000 0.735 303 K HN 0.302 nan 8.250 nan 0.000 0.451 304 H N 0.042 119.090 119.070 -0.035 0.000 2.568 304 H HA 0.194 4.752 4.556 0.003 0.000 0.302 304 H C -0.361 174.900 175.328 -0.113 0.000 1.065 304 H CA 0.032 56.047 56.048 -0.055 0.000 1.140 304 H CB 0.264 30.005 29.762 -0.035 0.000 1.474 304 H HN 0.080 nan 8.280 nan 0.000 0.545 305 L N -1.185 120.011 121.223 -0.045 0.000 4.625 305 L HA -0.279 4.063 4.340 0.003 0.000 0.428 305 L C -0.426 176.214 176.870 -0.383 0.000 1.129 305 L CA 0.728 55.495 54.840 -0.121 0.000 0.978 305 L CB -1.822 40.204 42.059 -0.055 0.000 2.043 305 L HN 0.285 nan 8.230 nan 0.000 0.847 306 L N -1.203 119.823 121.223 -0.328 0.000 2.375 306 L HA 0.589 4.930 4.340 0.003 0.000 0.268 306 L C 0.176 176.755 176.870 -0.484 0.000 1.058 306 L CA -0.595 53.933 54.840 -0.519 0.000 0.803 306 L CB 0.826 42.831 42.059 -0.090 0.000 1.212 306 L HN -0.161 nan 8.230 nan 0.000 0.451 307 F N -0.283 119.741 119.950 0.123 0.000 2.469 307 F HA 0.779 5.308 4.527 0.002 0.000 0.332 307 F C 0.643 176.533 175.800 0.149 0.000 1.103 307 F CA -0.699 57.365 58.000 0.106 0.000 0.979 307 F CB 1.950 40.993 39.000 0.072 0.000 1.137 307 F HN 0.413 nan 8.300 nan 0.000 0.463 308 G N 1.444 110.417 108.800 0.289 0.000 2.673 308 G HA2 0.508 4.469 3.960 0.003 0.000 0.292 308 G HA3 0.508 4.469 3.960 0.003 0.000 0.292 308 G C -2.593 172.394 174.900 0.145 0.000 1.450 308 G CA -0.512 44.729 45.100 0.234 0.000 0.837 308 G HN 0.591 nan 8.290 nan 0.000 0.505 309 D N -1.328 119.145 120.400 0.122 0.000 2.665 309 D HA 0.478 5.120 4.640 0.003 0.000 0.287 309 D C -0.755 175.585 176.300 0.066 0.000 1.266 309 D CA -0.340 53.703 54.000 0.071 0.000 0.830 309 D CB 2.350 43.185 40.800 0.059 0.000 1.356 309 D HN 0.327 nan 8.370 nan 0.000 0.437 310 V N 2.002 121.937 119.914 0.036 0.000 2.488 310 V HA 0.223 4.345 4.120 0.003 0.000 0.277 310 V C 1.256 177.379 176.094 0.048 0.000 1.046 310 V CA 0.078 62.400 62.300 0.036 0.000 0.986 310 V CB 0.985 32.812 31.823 0.008 0.000 0.989 310 V HN 0.550 nan 8.190 nan 0.000 0.475 311 V N 2.263 122.225 119.914 0.080 0.000 3.090 311 V HA 0.679 4.800 4.120 0.003 0.000 0.237 311 V C 0.696 176.875 176.094 0.142 0.000 1.209 311 V CA 0.695 63.059 62.300 0.107 0.000 1.209 311 V CB 0.165 32.050 31.823 0.103 0.000 0.971 311 V HN 0.792 nan 8.190 nan 0.000 0.477 312 A N 0.020 122.910 122.820 0.117 0.000 2.386 312 A HA 0.864 5.185 4.320 0.003 0.000 0.308 312 A C -0.919 176.727 177.584 0.103 0.000 1.128 312 A CA -0.661 51.442 52.037 0.110 0.000 0.789 312 A CB 1.679 20.729 19.000 0.084 0.000 1.325 312 A HN 0.481 nan 8.150 nan 0.000 0.437 313 E N 0.035 120.291 120.200 0.093 0.000 2.234 313 E HA 0.491 4.842 4.350 0.003 0.000 0.266 313 E C -1.363 175.273 176.600 0.061 0.000 0.877 313 E CA -0.674 55.771 56.400 0.076 0.000 0.758 313 E CB 2.288 32.041 29.700 0.089 0.000 1.170 313 E HN 0.361 nan 8.360 nan 0.000 0.415 314 V N 5.214 125.162 119.914 0.056 0.000 2.408 314 V HA 0.263 4.385 4.120 0.003 0.000 0.267 314 V C 0.347 176.469 176.094 0.046 0.000 1.047 314 V CA -0.219 62.114 62.300 0.055 0.000 0.937 314 V CB -0.507 31.347 31.823 0.052 0.000 0.999 314 V HN 0.516 nan 8.190 nan 0.000 0.472 315 I N 1.364 121.962 120.570 0.046 0.000 3.205 315 I HA 0.563 4.735 4.170 0.003 0.000 0.310 315 I C 1.150 177.290 176.117 0.039 0.000 1.089 315 I CA -0.585 60.738 61.300 0.039 0.000 1.023 315 I CB 1.187 39.208 38.000 0.035 0.000 1.269 315 I HN 0.465 nan 8.210 nan 0.000 0.512 316 E N 0.351 120.571 120.200 0.034 0.000 2.102 316 E HA -0.033 4.318 4.350 0.003 0.000 0.190 316 E C 0.553 177.174 176.600 0.035 0.000 0.971 316 E CA 0.142 56.561 56.400 0.032 0.000 0.821 316 E CB 0.298 30.013 29.700 0.026 0.000 0.777 316 E HN 0.659 nan 8.360 nan 0.000 0.460 317 E N 2.281 122.502 120.200 0.035 0.000 2.351 317 E HA 0.008 4.359 4.350 0.003 0.000 0.266 317 E C -2.120 174.509 176.600 0.049 0.000 1.031 317 E CA -1.847 54.576 56.400 0.038 0.000 0.911 317 E CB 0.746 30.466 29.700 0.035 0.000 0.986 317 E HN 0.047 nan 8.360 nan 0.000 0.446 318 P HA -0.002 nan 4.420 nan 0.000 0.235 318 P C -0.746 176.600 177.300 0.076 0.000 1.720 318 P CA 0.292 63.429 63.100 0.061 0.000 1.003 318 P CB -0.002 31.729 31.700 0.052 0.000 1.968 319 V N 2.218 122.185 119.914 0.089 0.000 2.962 319 V HA 0.458 4.579 4.120 0.003 0.000 0.313 319 V C -1.604 174.593 176.094 0.170 0.000 1.099 319 V CA -1.194 61.173 62.300 0.113 0.000 0.971 319 V CB 2.853 34.722 31.823 0.077 0.000 1.028 319 V HN 0.075 nan 8.190 nan 0.000 0.430 320 Y N 5.488 125.797 120.300 0.015 0.000 2.402 320 Y HA 0.613 5.165 4.550 0.003 0.000 0.332 320 Y C 0.023 175.919 175.900 -0.007 0.000 0.960 320 Y CA -0.540 57.560 58.100 0.001 0.000 1.228 320 Y CB 0.815 39.270 38.460 -0.008 0.000 1.120 320 Y HN 0.615 nan 8.280 nan 0.000 0.491 321 R N 4.965 125.329 120.500 -0.227 0.000 2.338 321 R HA 0.701 5.043 4.340 0.003 0.000 0.317 321 R C -1.793 174.272 176.300 -0.393 0.000 0.968 321 R CA -0.618 55.342 56.100 -0.234 0.000 0.849 321 R CB 1.052 31.268 30.300 -0.141 0.000 1.128 321 R HN 0.518 nan 8.270 nan 0.000 0.448 322 V N 6.541 126.267 119.914 -0.313 0.000 2.444 322 V HA 0.480 4.602 4.120 0.003 0.000 0.294 322 V C -0.082 175.930 176.094 -0.138 0.000 1.022 322 V CA -0.642 61.493 62.300 -0.274 0.000 0.850 322 V CB 1.532 33.207 31.823 -0.247 0.000 0.992 322 V HN 0.816 nan 8.190 nan 0.000 0.426 323 M N 3.890 123.417 119.600 -0.123 0.000 2.618 323 M HA 0.654 5.135 4.480 0.003 0.000 0.281 323 M C -1.966 174.386 176.300 0.087 0.000 1.267 323 M CA -0.931 54.352 55.300 -0.028 0.000 0.845 323 M CB 2.886 35.439 32.600 -0.078 0.000 1.732 323 M HN 0.516 nan 8.290 nan 0.000 0.461 324 Y N 1.586 121.880 120.300 -0.009 0.000 2.388 324 Y HA 0.497 5.048 4.550 0.003 0.000 0.328 324 Y C 0.849 176.778 175.900 0.048 0.000 0.963 324 Y CA 0.096 58.213 58.100 0.028 0.000 1.240 324 Y CB 0.985 39.460 38.460 0.026 0.000 1.118 324 Y HN 1.051 nan 8.280 nan 0.000 0.484 325 R N 1.880 122.354 120.500 -0.044 0.000 3.902 325 R HA -0.399 3.943 4.340 0.003 0.000 0.356 325 R C 0.419 176.757 176.300 0.063 0.000 0.284 325 R CA 2.628 58.717 56.100 -0.019 0.000 1.171 325 R CB -1.116 29.111 30.300 -0.123 0.000 0.939 325 R HN 0.762 nan 8.270 nan 0.000 0.580 326 N N 0.500 119.229 118.700 0.048 0.000 2.414 326 N HA 0.062 4.804 4.740 0.003 0.000 0.177 326 N C -0.564 174.978 175.510 0.054 0.000 1.062 326 N CA 0.614 53.693 53.050 0.049 0.000 0.890 326 N CB 0.331 38.839 38.487 0.035 0.000 1.070 326 N HN 0.294 nan 8.380 nan 0.000 0.454 327 D N 0.757 121.205 120.400 0.080 0.000 2.175 327 D HA 0.298 4.939 4.640 0.003 0.000 0.248 327 D C -0.299 176.045 176.300 0.074 0.000 1.047 327 D CA -0.419 53.627 54.000 0.077 0.000 0.883 327 D CB 1.811 42.668 40.800 0.095 0.000 1.180 327 D HN -0.106 nan 8.370 nan 0.000 0.438 328 L N 2.095 123.345 121.223 0.044 0.000 2.439 328 L HA 0.383 4.725 4.340 0.003 0.000 0.259 328 L C 0.707 177.598 176.870 0.035 0.000 1.129 328 L CA 0.075 54.930 54.840 0.025 0.000 0.803 328 L CB 1.537 43.602 42.059 0.008 0.000 1.161 328 L HN 0.429 nan 8.230 nan 0.000 0.462 329 V N -0.182 119.747 119.914 0.024 0.000 3.193 329 V HA 0.452 4.573 4.120 0.003 0.000 0.237 329 V C 0.114 176.224 176.094 0.027 0.000 1.447 329 V CA -0.153 62.168 62.300 0.035 0.000 1.227 329 V CB 0.123 31.975 31.823 0.047 0.000 1.040 329 V HN 0.676 nan 8.190 nan 0.000 0.458 330 M N 0.614 120.217 119.600 0.006 0.000 2.414 330 M HA 0.615 5.097 4.480 0.003 0.000 0.287 330 M C -2.357 173.941 176.300 -0.004 0.000 1.181 330 M CA -0.113 55.196 55.300 0.015 0.000 0.933 330 M CB 2.811 35.425 32.600 0.025 0.000 1.732 330 M HN 0.329 nan 8.290 nan 0.000 0.486 331 E N 3.789 124.008 120.200 0.032 0.000 2.313 331 E HA 0.622 4.973 4.350 0.003 0.000 0.280 331 E C -2.068 174.585 176.600 0.088 0.000 0.898 331 E CA -0.651 55.773 56.400 0.041 0.000 0.803 331 E CB 2.103 31.813 29.700 0.017 0.000 1.286 331 E HN 0.605 nan 8.360 nan 0.000 0.401 332 V N 0.652 120.649 119.914 0.139 0.000 3.147 332 V HA 0.649 4.770 4.120 0.003 0.000 0.306 332 V C -2.812 173.382 176.094 0.167 0.000 1.209 332 V CA -2.538 59.859 62.300 0.160 0.000 1.023 332 V CB 1.424 33.395 31.823 0.248 0.000 1.059 332 V HN 0.502 nan 8.190 nan 0.000 0.435 333 P HA 0.163 nan 4.420 nan 0.000 0.268 333 P C 0.841 178.216 177.300 0.124 0.000 1.205 333 P CA 0.248 63.421 63.100 0.122 0.000 0.771 333 P CB 1.276 33.037 31.700 0.102 0.000 0.858 334 V N 3.151 123.126 119.914 0.102 0.000 2.343 334 V HA -0.249 3.873 4.120 0.003 0.000 0.247 334 V C 1.760 177.873 176.094 0.031 0.000 1.051 334 V CA 1.965 64.289 62.300 0.041 0.000 1.036 334 V CB -0.718 31.137 31.823 0.053 0.000 0.654 334 V HN 0.502 nan 8.190 nan 0.000 0.451 335 Q N -0.637 119.206 119.800 0.072 0.000 2.436 335 Q HA -0.051 4.291 4.340 0.003 0.000 0.209 335 Q C 1.884 177.978 176.000 0.157 0.000 0.965 335 Q CA 0.928 56.785 55.803 0.090 0.000 0.910 335 Q CB -0.379 28.408 28.738 0.081 0.000 0.980 335 Q HN 0.594 nan 8.270 nan 0.000 0.491 336 L N -0.335 121.003 121.223 0.192 0.000 2.478 336 L HA 0.018 4.359 4.340 0.003 0.000 0.223 336 L C 1.486 178.641 176.870 0.475 0.000 1.140 336 L CA 0.901 55.934 54.840 0.321 0.000 0.842 336 L CB -0.014 42.199 42.059 0.256 0.000 0.953 336 L HN 0.072 nan 8.230 nan 0.000 0.452 337 L N -1.600 119.775 121.223 0.253 0.000 2.269 337 L HA 0.221 4.562 4.340 0.003 0.000 0.200 337 L C 2.471 179.455 176.870 0.190 0.000 1.069 337 L CA 0.890 55.794 54.840 0.107 0.000 0.804 337 L CB -0.737 41.171 42.059 -0.252 0.000 0.987 337 L HN 0.129 nan 8.230 nan 0.000 0.468 338 A N -0.536 122.350 122.820 0.110 0.000 2.014 338 A HA -0.027 4.294 4.320 0.003 0.000 0.218 338 A C 0.791 178.468 177.584 0.154 0.000 1.163 338 A CA 0.858 52.954 52.037 0.099 0.000 0.652 338 A CB -0.404 18.622 19.000 0.043 0.000 0.808 338 A HN 0.380 nan 8.150 nan 0.000 0.449 339 N N 0.727 119.546 118.700 0.198 0.000 2.485 339 N HA 0.483 5.224 4.740 0.003 0.000 0.243 339 N C -0.398 175.195 175.510 0.138 0.000 0.987 339 N CA 0.229 53.364 53.050 0.142 0.000 0.940 339 N CB 1.486 40.036 38.487 0.105 0.000 1.122 339 N HN 0.343 nan 8.380 nan 0.000 0.509 340 A N 3.286 126.073 122.820 -0.054 0.000 2.287 340 A HA 0.503 4.824 4.320 0.003 0.000 0.273 340 A C -2.167 175.125 177.584 -0.486 0.000 1.091 340 A CA -1.254 50.455 52.037 -0.547 0.000 0.817 340 A CB -0.094 18.690 19.000 -0.360 0.000 1.069 340 A HN 0.344 nan 8.150 nan 0.000 0.492 341 P HA 0.161 nan 4.420 nan 0.000 0.269 341 P C -0.586 176.626 177.300 -0.148 0.000 1.252 341 P CA 0.190 63.088 63.100 -0.337 0.000 0.780 341 P CB 0.284 31.819 31.700 -0.275 0.000 0.829 342 E N 3.359 123.485 120.200 -0.124 0.000 2.265 342 E HA 0.009 4.361 4.350 0.003 0.000 0.272 342 E C 0.144 176.678 176.600 -0.110 0.000 1.067 342 E CA -0.258 56.088 56.400 -0.090 0.000 0.900 342 E CB 0.370 30.023 29.700 -0.078 0.000 1.017 342 E HN 0.343 nan 8.360 nan 0.000 0.431 343 E N 2.884 123.007 120.200 -0.129 0.000 2.371 343 E HA 0.083 4.435 4.350 0.003 0.000 0.257 343 E C -0.624 175.884 176.600 -0.154 0.000 1.134 343 E CA -0.141 56.153 56.400 -0.177 0.000 0.919 343 E CB 0.768 30.275 29.700 -0.322 0.000 1.025 343 E HN 0.542 nan 8.360 nan 0.000 0.438 344 D N 1.367 121.683 120.400 -0.140 0.000 2.256 344 D HA 0.210 4.852 4.640 0.003 0.000 0.250 344 D C 0.313 176.518 176.300 -0.158 0.000 1.093 344 D CA -0.293 53.622 54.000 -0.140 0.000 0.882 344 D CB 0.865 41.604 40.800 -0.102 0.000 1.185 344 D HN 0.289 nan 8.370 nan 0.000 0.437 345 I N -1.346 119.067 120.570 -0.261 0.000 2.638 345 I HA 0.217 4.389 4.170 0.003 0.000 0.286 345 I C 0.028 176.066 176.117 -0.133 0.000 1.088 345 I CA -0.609 60.462 61.300 -0.382 0.000 1.397 345 I CB 0.715 38.360 38.000 -0.591 0.000 1.414 345 I HN -0.089 nan 8.210 nan 0.000 0.566 346 V N 4.263 124.171 119.914 -0.009 0.000 2.320 346 V HA 0.215 4.336 4.120 0.003 0.000 0.257 346 V C -0.001 176.163 176.094 0.118 0.000 0.996 346 V CA -0.622 61.713 62.300 0.059 0.000 0.928 346 V CB -0.300 31.579 31.823 0.092 0.000 1.169 346 V HN 0.786 nan 8.190 nan 0.000 0.475 347 E N 2.039 122.283 120.200 0.074 0.000 2.829 347 E HA -0.051 4.301 4.350 0.003 0.000 0.264 347 E C -0.818 175.876 176.600 0.157 0.000 0.922 347 E CA 0.777 57.242 56.400 0.108 0.000 0.960 347 E CB 0.455 30.180 29.700 0.041 0.000 0.918 347 E HN 0.645 nan 8.360 nan 0.000 0.497 348 Y N 2.296 122.614 120.300 0.031 0.000 2.393 348 Y HA 0.296 4.847 4.550 0.002 0.000 0.341 348 Y C -0.227 175.640 175.900 -0.054 0.000 0.988 348 Y CA -0.604 57.489 58.100 -0.012 0.000 1.078 348 Y CB 1.365 39.821 38.460 -0.008 0.000 1.203 348 Y HN 0.518 nan 8.280 nan 0.000 0.453 349 T N 3.700 118.040 114.554 -0.356 0.000 2.940 349 T HA 0.676 5.027 4.350 0.003 0.000 0.288 349 T C -2.838 171.482 174.700 -0.634 0.000 1.033 349 T CA -2.235 59.661 62.100 -0.339 0.000 1.033 349 T CB 1.755 70.488 68.868 -0.226 0.000 1.079 349 T HN 0.372 nan 8.240 nan 0.000 0.496 350 P HA 0.587 nan 4.420 nan 0.000 0.284 350 P C -0.144 176.983 177.300 -0.288 0.000 1.258 350 P CA -0.254 62.489 63.100 -0.595 0.000 0.824 350 P CB 1.013 32.369 31.700 -0.572 0.000 1.038 351 G N 0.497 109.233 108.800 -0.107 0.000 2.685 351 G HA2 0.476 4.438 3.960 0.003 0.000 0.298 351 G HA3 0.476 4.438 3.960 0.003 0.000 0.298 351 G C -1.110 173.982 174.900 0.321 0.000 1.277 351 G CA -0.969 44.176 45.100 0.075 0.000 0.986 351 G HN 0.298 nan 8.290 nan 0.000 0.487 352 K N 0.081 120.568 120.400 0.145 0.000 2.524 352 K HA 0.026 4.348 4.320 0.003 0.000 0.279 352 K C 0.114 176.640 176.600 -0.124 0.000 0.993 352 K CA 0.395 56.707 56.287 0.041 0.000 1.030 352 K CB 0.670 33.155 32.500 -0.024 0.000 0.891 352 K HN 0.306 nan 8.250 nan 0.000 0.488 353 I N 5.664 125.933 120.570 -0.501 0.000 2.680 353 I HA -0.014 4.157 4.170 0.003 0.000 0.286 353 I C -1.306 174.522 176.117 -0.481 0.000 1.144 353 I CA -1.447 59.301 61.300 -0.919 0.000 1.370 353 I CB -0.704 36.766 38.000 -0.884 0.000 1.420 353 I HN 0.493 nan 8.210 nan 0.000 0.540 354 P HA 0.048 nan 4.420 nan 0.000 0.273 354 P C -0.403 176.536 177.300 -0.600 0.000 1.250 354 P CA -0.448 62.339 63.100 -0.522 0.000 0.793 354 P CB 0.781 32.148 31.700 -0.555 0.000 1.011 355 E N 0.826 120.804 120.200 -0.371 0.000 2.052 355 E HA 0.178 4.530 4.350 0.003 0.000 0.283 355 E C -0.907 175.574 176.600 -0.198 0.000 1.071 355 E CA -0.454 55.829 56.400 -0.195 0.000 0.851 355 E CB -0.114 29.532 29.700 -0.090 0.000 1.066 355 E HN 0.211 nan 8.360 nan 0.000 0.396 356 F N 3.502 123.448 119.950 -0.006 0.000 2.410 356 F HA 0.262 4.791 4.527 0.002 0.000 0.348 356 F C 0.573 176.373 175.800 -0.000 0.000 1.106 356 F CA -0.418 57.578 58.000 -0.007 0.000 1.163 356 F CB 0.908 39.894 39.000 -0.023 0.000 1.129 356 F HN 0.197 nan 8.300 nan 0.000 0.516 357 K N 2.457 122.977 120.400 0.200 0.000 2.110 357 K HA 0.423 4.744 4.320 0.003 0.000 0.263 357 K C -0.428 176.233 176.600 0.100 0.000 0.975 357 K CA -0.882 55.475 56.287 0.116 0.000 0.895 357 K CB 0.939 33.487 32.500 0.080 0.000 1.060 357 K HN 0.520 nan 8.250 nan 0.000 0.448 358 R N 0.714 121.252 120.500 0.064 0.000 2.370 358 R HA 0.218 4.560 4.340 0.003 0.000 0.309 358 R C -0.771 175.552 176.300 0.039 0.000 1.059 358 R CA -0.616 55.505 56.100 0.034 0.000 0.981 358 R CB -0.050 30.266 30.300 0.028 0.000 0.972 358 R HN 0.125 nan 8.270 nan 0.000 0.437 359 V N 3.424 123.345 119.914 0.012 0.000 2.364 359 V HA 0.095 4.217 4.120 0.003 0.000 0.272 359 V C 0.333 176.490 176.094 0.105 0.000 1.036 359 V CA -0.754 61.579 62.300 0.054 0.000 0.880 359 V CB 1.128 32.967 31.823 0.026 0.000 0.991 359 V HN 0.726 nan 8.190 nan 0.000 0.460 360 E N 4.227 124.530 120.200 0.172 0.000 2.265 360 E HA 0.240 4.591 4.350 0.003 0.000 0.272 360 E C -1.013 175.832 176.600 0.409 0.000 1.067 360 E CA 0.093 56.620 56.400 0.212 0.000 0.900 360 E CB 0.641 30.422 29.700 0.134 0.000 1.017 360 E HN 0.429 nan 8.360 nan 0.000 0.431 361 F N 1.683 121.662 119.950 0.048 0.000 2.402 361 F HA 0.153 4.682 4.527 0.002 0.000 0.355 361 F C 0.926 176.752 175.800 0.042 0.000 1.123 361 F CA -1.248 56.786 58.000 0.058 0.000 1.021 361 F CB 1.023 40.063 39.000 0.068 0.000 1.160 361 F HN 0.244 nan 8.300 nan 0.000 0.451 362 E N 3.083 123.337 120.200 0.089 0.000 2.606 362 E HA -0.087 4.264 4.350 0.003 0.000 0.248 362 E C -0.091 176.546 176.600 0.061 0.000 1.005 362 E CA 0.406 56.835 56.400 0.049 0.000 0.946 362 E CB 0.293 29.990 29.700 -0.006 0.000 0.928 362 E HN 0.509 nan 8.360 nan 0.000 0.494 363 E N 2.955 123.193 120.200 0.063 0.000 2.159 363 E HA 0.073 4.424 4.350 0.003 0.000 0.272 363 E C -0.282 176.333 176.600 0.025 0.000 1.138 363 E CA -0.254 56.177 56.400 0.052 0.000 0.915 363 E CB 0.500 30.225 29.700 0.042 0.000 1.028 363 E HN 0.247 nan 8.360 nan 0.000 0.423 364 V N 1.218 121.143 119.914 0.018 0.000 3.096 364 V HA 0.380 4.502 4.120 0.003 0.000 0.319 364 V C 0.142 176.229 176.094 -0.011 0.000 1.103 364 V CA -1.207 61.090 62.300 -0.006 0.000 1.016 364 V CB 1.836 33.645 31.823 -0.023 0.000 1.090 364 V HN 0.529 nan 8.190 nan 0.000 0.449 365 N N 0.893 119.569 118.700 -0.040 0.000 2.420 365 N HA 0.371 5.112 4.740 0.003 0.000 0.249 365 N C 0.888 176.323 175.510 -0.125 0.000 1.033 365 N CA 0.235 53.243 53.050 -0.069 0.000 0.944 365 N CB 1.799 40.234 38.487 -0.086 0.000 1.113 365 N HN 0.959 nan 8.380 nan 0.000 0.502 366 A N 4.939 127.690 122.820 -0.115 0.000 2.067 366 A HA -0.043 4.278 4.320 0.003 0.000 0.217 366 A C 2.074 179.285 177.584 -0.621 0.000 1.156 366 A CA 0.443 52.388 52.037 -0.153 0.000 0.683 366 A CB -0.019 19.049 19.000 0.112 0.000 0.808 366 A HN 0.707 nan 8.150 nan 0.000 0.455 367 R N 0.379 120.408 120.500 -0.786 0.000 2.103 367 R HA -0.171 4.171 4.340 0.003 0.000 0.242 367 R C 1.628 177.448 176.300 -0.800 0.000 1.142 367 R CA 1.637 57.027 56.100 -1.184 0.000 0.960 367 R CB -0.751 29.194 30.300 -0.592 0.000 0.858 367 R HN 0.703 nan 8.270 nan 0.000 0.439 368 E N 0.282 120.205 120.200 -0.461 0.000 2.267 368 E HA -0.113 4.239 4.350 0.003 0.000 0.197 368 E C 1.731 178.129 176.600 -0.337 0.000 0.998 368 E CA 0.937 57.148 56.400 -0.315 0.000 0.830 368 E CB 0.232 29.807 29.700 -0.209 0.000 0.751 368 E HN 0.102 nan 8.360 nan 0.000 0.491 369 V N -0.026 119.645 119.914 -0.405 0.000 2.795 369 V HA -0.096 4.026 4.120 0.003 0.000 0.243 369 V C 1.649 177.372 176.094 -0.619 0.000 1.069 369 V CA 0.941 62.997 62.300 -0.407 0.000 1.089 369 V CB -0.206 31.480 31.823 -0.228 0.000 0.756 369 V HN 0.335 nan 8.190 nan 0.000 0.471 370 F N 0.138 119.823 119.950 -0.441 0.000 2.754 370 F HA 0.323 4.851 4.527 0.003 0.000 0.297 370 F C 1.671 177.283 175.800 -0.313 0.000 1.122 370 F CA 0.309 58.038 58.000 -0.451 0.000 1.400 370 F CB -0.394 38.456 39.000 -0.251 0.000 1.117 370 F HN 0.067 nan 8.300 nan 0.000 0.587 371 E N 0.649 120.694 120.200 -0.259 0.000 2.511 371 E HA -0.052 4.300 4.350 0.003 0.000 0.196 371 E C 1.339 177.914 176.600 -0.042 0.000 1.066 371 E CA 0.163 56.533 56.400 -0.050 0.000 0.871 371 E CB -0.092 29.521 29.700 -0.146 0.000 0.863 371 E HN 0.658 nan 8.360 nan 0.000 0.520 372 Q N -0.768 118.932 119.800 -0.166 0.000 2.247 372 Q HA 0.099 4.441 4.340 0.003 0.000 0.211 372 Q C -0.389 175.641 176.000 0.050 0.000 0.861 372 Q CA 0.118 55.844 55.803 -0.128 0.000 0.949 372 Q CB 0.766 29.350 28.738 -0.257 0.000 1.115 372 Q HN 0.306 nan 8.270 nan 0.000 0.507 373 Y N 0.101 120.482 120.300 0.136 0.000 2.393 373 Y HA 0.210 4.762 4.550 0.003 0.000 0.341 373 Y C -0.020 176.008 175.900 0.213 0.000 0.988 373 Y CA -1.446 56.738 58.100 0.140 0.000 1.078 373 Y CB 1.377 39.905 38.460 0.114 0.000 1.203 373 Y HN -0.144 nan 8.280 nan 0.000 0.453 374 D N 3.521 124.087 120.400 0.277 0.000 2.383 374 D HA -0.021 4.620 4.640 0.003 0.000 0.245 374 D C 0.379 176.755 176.300 0.128 0.000 1.263 374 D CA 0.156 54.236 54.000 0.132 0.000 0.936 374 D CB 0.204 41.040 40.800 0.059 0.000 1.053 374 D HN 0.651 nan 8.370 nan 0.000 0.507 375 H N 2.572 121.664 119.070 0.037 0.000 2.507 375 H HA 0.255 4.813 4.556 0.003 0.000 0.294 375 H C 0.509 175.810 175.328 -0.046 0.000 1.064 375 H CA -0.262 55.769 56.048 -0.030 0.000 1.138 375 H CB 0.162 29.883 29.762 -0.069 0.000 1.515 375 H HN 0.395 nan 8.280 nan 0.000 0.547 376 M N 0.294 119.795 119.600 -0.166 0.000 2.211 376 M HA 0.101 4.583 4.480 0.003 0.000 0.338 376 M C 0.422 176.673 176.300 -0.082 0.000 0.893 376 M CA -0.147 55.065 55.300 -0.146 0.000 1.096 376 M CB 1.867 34.337 32.600 -0.217 0.000 1.923 376 M HN 0.071 nan 8.290 nan 0.000 0.656 377 V N 1.090 120.969 119.914 -0.058 0.000 2.901 377 V HA 0.274 4.396 4.120 0.003 0.000 0.307 377 V C 1.180 177.262 176.094 -0.021 0.000 1.084 377 V CA 2.087 64.368 62.300 -0.031 0.000 1.184 377 V CB 0.832 32.647 31.823 -0.014 0.000 0.941 377 V HN 0.812 nan 8.190 nan 0.000 0.493 378 G N 3.276 112.067 108.800 -0.015 0.000 2.241 378 G HA2 -0.303 3.658 3.960 0.003 0.000 0.244 378 G HA3 -0.303 3.658 3.960 0.003 0.000 0.244 378 G C 0.988 175.878 174.900 -0.017 0.000 0.998 378 G CA 0.989 46.084 45.100 -0.009 0.000 0.621 378 G HN 2.191 nan 8.290 nan 0.000 0.519 379 T N -0.695 113.842 114.554 -0.028 0.000 6.387 379 T HA -0.260 4.092 4.350 0.003 0.000 0.290 379 T C 0.855 175.533 174.700 -0.038 0.000 1.901 379 T CA 2.455 64.535 62.100 -0.034 0.000 3.035 379 T CB -1.167 67.685 68.868 -0.027 0.000 1.917 379 T HN 0.608 nan 8.240 nan 0.000 1.121 380 D N 0.847 121.224 120.400 -0.039 0.000 2.349 380 D HA 0.179 4.821 4.640 0.003 0.000 0.214 380 D C 1.015 177.267 176.300 -0.080 0.000 1.063 380 D CA 0.921 54.890 54.000 -0.051 0.000 0.847 380 D CB 0.436 41.216 40.800 -0.032 0.000 0.933 380 D HN 0.742 nan 8.370 nan 0.000 0.513 381 T N -1.482 113.029 114.554 -0.071 0.000 2.727 381 T HA 0.281 4.632 4.350 0.003 0.000 0.298 381 T C 1.327 175.983 174.700 -0.073 0.000 0.942 381 T CA -0.642 61.408 62.100 -0.082 0.000 0.997 381 T CB 1.321 70.153 68.868 -0.059 0.000 0.917 381 T HN -0.237 nan 8.240 nan 0.000 0.487 382 V N 3.784 123.644 119.914 -0.091 0.000 2.379 382 V HA 0.084 4.205 4.120 0.003 0.000 0.243 382 V C 1.105 177.179 176.094 -0.034 0.000 1.035 382 V CA 0.542 62.803 62.300 -0.065 0.000 1.035 382 V CB -0.037 31.736 31.823 -0.082 0.000 0.673 382 V HN 0.785 nan 8.190 nan 0.000 0.457 383 V N 3.689 123.577 119.914 -0.044 0.000 2.313 383 V HA 0.367 4.488 4.120 0.003 0.000 0.278 383 V C -2.245 173.832 176.094 -0.027 0.000 1.017 383 V CA -1.636 60.660 62.300 -0.007 0.000 0.823 383 V CB 1.307 33.129 31.823 -0.001 0.000 1.010 383 V HN 0.336 nan 8.190 nan 0.000 0.443 384 P HA 0.329 nan 4.420 nan 0.000 0.274 384 P C -2.631 174.538 177.300 -0.220 0.000 1.237 384 P CA -1.592 61.480 63.100 -0.046 0.000 0.793 384 P CB 0.427 32.178 31.700 0.084 0.000 0.977 385 P HA 0.149 nan 4.420 nan 0.000 0.272 385 P C 0.639 177.502 177.300 -0.728 0.000 1.240 385 P CA 0.525 63.189 63.100 -0.726 0.000 0.791 385 P CB 0.454 31.449 31.700 -1.175 0.000 0.978 386 G N 0.631 109.151 108.800 -0.466 0.000 4.025 386 G HA2 -0.149 3.813 3.960 0.003 0.000 0.195 386 G HA3 -0.149 3.813 3.960 0.003 0.000 0.195 386 G C -0.243 174.414 174.900 -0.404 0.000 1.546 386 G CA -0.531 44.368 45.100 -0.336 0.000 1.007 386 G HN 0.404 nan 8.290 nan 0.000 0.388 387 F N 3.490 123.286 119.950 -0.257 0.000 2.606 387 F HA 0.467 4.995 4.527 0.002 0.000 0.347 387 F C 1.794 177.469 175.800 -0.208 0.000 1.207 387 F CA 0.425 58.204 58.000 -0.369 0.000 1.306 387 F CB 0.356 39.226 39.000 -0.217 0.000 1.657 387 F HN 0.786 nan 8.300 nan 0.000 0.606 388 G N 1.374 110.166 108.800 -0.013 0.000 2.686 388 G HA2 -0.367 3.595 3.960 0.003 0.000 0.329 388 G HA3 -0.367 3.595 3.960 0.003 0.000 0.329 388 G C 0.625 175.546 174.900 0.036 0.000 1.187 388 G CA -0.084 45.031 45.100 0.025 0.000 0.965 388 G HN 0.874 nan 8.290 nan 0.000 0.549 389 A N 0.531 123.376 122.820 0.041 0.000 2.520 389 A HA 0.647 4.969 4.320 0.003 0.000 0.235 389 A C 0.666 178.283 177.584 0.055 0.000 1.065 389 A CA 1.498 53.570 52.037 0.059 0.000 0.764 389 A CB 0.124 19.136 19.000 0.021 0.000 1.002 389 A HN 2.422 nan 8.150 nan 0.000 0.502 390 A N 1.822 124.694 122.820 0.088 0.000 2.331 390 A HA 0.626 4.947 4.320 0.003 0.000 0.320 390 A C -0.566 177.007 177.584 -0.017 0.000 1.138 390 A CA -0.462 51.593 52.037 0.030 0.000 0.790 390 A CB 1.102 20.129 19.000 0.045 0.000 1.206 390 A HN 1.062 nan 8.150 nan 0.000 0.470 391 V N 3.998 123.864 119.914 -0.080 0.000 2.513 391 V HA 0.599 4.721 4.120 0.003 0.000 0.299 391 V C -0.068 175.871 176.094 -0.259 0.000 1.035 391 V CA -0.535 61.667 62.300 -0.163 0.000 0.889 391 V CB 1.502 33.259 31.823 -0.110 0.000 0.988 391 V HN 0.964 nan 8.190 nan 0.000 0.440 392 M N 3.805 123.106 119.600 -0.498 0.000 2.792 392 M HA 0.753 5.235 4.480 0.003 0.000 0.290 392 M C -0.452 175.570 176.300 -0.463 0.000 1.155 392 M CA -0.771 54.181 55.300 -0.580 0.000 0.781 392 M CB 2.300 34.250 32.600 -1.083 0.000 1.741 392 M HN 0.832 nan 8.290 nan 0.000 0.473 393 R N -0.562 119.757 120.500 -0.301 0.000 2.752 393 R HA 0.817 5.159 4.340 0.003 0.000 0.271 393 R C -1.287 174.985 176.300 -0.046 0.000 1.026 393 R CA -0.820 55.200 56.100 -0.133 0.000 0.901 393 R CB 0.982 31.227 30.300 -0.091 0.000 1.243 393 R HN 0.588 nan 8.270 nan 0.000 0.463 394 I N 0.748 121.274 120.570 -0.073 0.000 2.998 394 I HA 0.323 4.495 4.170 0.003 0.000 0.338 394 I C 0.121 176.146 176.117 -0.155 0.000 1.413 394 I CA -0.545 60.643 61.300 -0.186 0.000 0.880 394 I CB 0.556 38.264 38.000 -0.486 0.000 2.051 394 I HN 0.852 nan 8.210 nan 0.000 0.561 395 K N 0.852 121.215 120.400 -0.062 0.000 3.609 395 K HA -0.229 4.092 4.320 0.003 0.000 0.277 395 K C 1.139 177.753 176.600 0.023 0.000 1.196 395 K CA 1.165 57.437 56.287 -0.025 0.000 1.022 395 K CB -0.412 32.066 32.500 -0.036 0.000 1.292 395 K HN 0.379 nan 8.250 nan 0.000 0.484 396 R N -1.175 119.356 120.500 0.051 0.000 2.580 396 R HA 0.109 4.451 4.340 0.003 0.000 0.285 396 R C 0.887 177.267 176.300 0.133 0.000 0.947 396 R CA 0.889 57.055 56.100 0.109 0.000 1.102 396 R CB 0.254 30.661 30.300 0.178 0.000 1.696 396 R HN 0.185 nan 8.270 nan 0.000 0.506 397 D N -1.043 119.428 120.400 0.118 0.000 2.840 397 D HA 0.328 4.970 4.640 0.003 0.000 0.277 397 D C 0.312 176.685 176.300 0.123 0.000 1.066 397 D CA 1.437 55.552 54.000 0.191 0.000 0.979 397 D CB 0.859 41.792 40.800 0.221 0.000 1.157 397 D HN 0.170 nan 8.370 nan 0.000 0.466 398 G N -1.673 107.165 108.800 0.063 0.000 2.337 398 G HA2 0.456 4.417 3.960 0.003 0.000 0.310 398 G HA3 0.456 4.417 3.960 0.003 0.000 0.310 398 G C -0.453 174.467 174.900 0.034 0.000 1.534 398 G CA -0.373 44.761 45.100 0.056 0.000 0.982 398 G HN 0.492 nan 8.290 nan 0.000 0.672 399 G N -1.174 107.647 108.800 0.036 0.000 2.816 399 G HA2 1.064 5.025 3.960 0.003 0.000 0.288 399 G HA3 1.064 5.025 3.960 0.003 0.000 0.288 399 G C -1.025 173.929 174.900 0.089 0.000 1.334 399 G CA -0.184 44.916 45.100 0.002 0.000 0.978 399 G HN 1.875 nan 8.290 nan 0.000 0.493 400 Y N -1.662 118.595 120.300 -0.073 0.000 2.615 400 Y HA 0.803 5.354 4.550 0.002 0.000 0.341 400 Y C -0.356 175.496 175.900 -0.079 0.000 1.089 400 Y CA -1.596 56.450 58.100 -0.091 0.000 1.049 400 Y CB 1.695 40.080 38.460 -0.126 0.000 1.296 400 Y HN 0.811 nan 8.280 nan 0.000 0.470 401 S N 1.911 117.628 115.700 0.027 0.000 2.672 401 S HA 0.800 5.271 4.470 0.003 0.000 0.291 401 S C -1.702 172.885 174.600 -0.023 0.000 1.145 401 S CA -0.643 57.536 58.200 -0.035 0.000 1.013 401 S CB 0.711 63.883 63.200 -0.046 0.000 1.017 401 S HN 0.791 nan 8.310 nan 0.000 0.487 402 L N 3.135 124.363 121.223 0.009 0.000 2.346 402 L HA 0.859 5.201 4.340 0.003 0.000 0.276 402 L C -0.925 175.895 176.870 -0.082 0.000 1.006 402 L CA -0.964 53.806 54.840 -0.118 0.000 0.817 402 L CB 2.163 44.116 42.059 -0.177 0.000 1.272 402 L HN 0.617 nan 8.230 nan 0.000 0.421 403 V N 0.282 120.071 119.914 -0.208 0.000 2.925 403 V HA 0.625 4.747 4.120 0.003 0.000 0.311 403 V C -0.479 175.524 176.094 -0.150 0.000 1.104 403 V CA -0.555 61.702 62.300 -0.071 0.000 0.954 403 V CB 2.208 34.014 31.823 -0.027 0.000 1.022 403 V HN 0.723 nan 8.190 nan 0.000 0.427 404 T N 2.451 117.020 114.554 0.024 0.000 2.841 404 T HA 0.674 5.025 4.350 0.003 0.000 0.285 404 T C -1.363 173.459 174.700 0.204 0.000 0.991 404 T CA -0.277 61.863 62.100 0.067 0.000 0.966 404 T CB 0.810 69.752 68.868 0.123 0.000 0.962 404 T HN 0.858 nan 8.240 nan 0.000 0.438 405 H N 1.165 120.260 119.070 0.043 0.000 3.012 405 H HA 0.714 5.272 4.556 0.003 0.000 0.367 405 H C -1.150 174.209 175.328 0.053 0.000 1.211 405 H CA -0.876 55.203 56.048 0.053 0.000 1.139 405 H CB 1.815 31.593 29.762 0.027 0.000 1.838 405 H HN 0.597 nan 8.280 nan 0.000 0.550 406 S N 4.088 119.600 115.700 -0.315 0.000 2.653 406 S HA 0.360 4.831 4.470 0.003 0.000 0.268 406 S C -1.219 173.172 174.600 -0.348 0.000 1.153 406 S CA -1.126 56.930 58.200 -0.240 0.000 1.036 406 S CB 1.062 64.269 63.200 0.012 0.000 1.103 406 S HN 0.499 nan 8.310 nan 0.000 0.466 407 R N 2.732 122.996 120.500 -0.394 0.000 2.891 407 R HA 0.467 4.808 4.340 0.003 0.000 0.248 407 R C 1.377 177.552 176.300 -0.207 0.000 1.439 407 R CA 0.176 56.080 56.100 -0.326 0.000 1.288 407 R CB -0.085 30.012 30.300 -0.340 0.000 1.212 407 R HN 0.863 nan 8.270 nan 0.000 0.605 408 A N 2.167 124.914 122.820 -0.122 0.000 1.929 408 A HA -0.156 4.166 4.320 0.003 0.000 0.216 408 A C 1.564 179.100 177.584 -0.079 0.000 1.176 408 A CA 1.306 53.351 52.037 0.014 0.000 0.628 408 A CB -0.010 19.173 19.000 0.305 0.000 0.816 408 A HN 0.568 nan 8.150 nan 0.000 0.444 409 D N 0.491 120.662 120.400 -0.383 0.000 2.219 409 D HA -0.129 4.513 4.640 0.003 0.000 0.205 409 D C 1.701 177.868 176.300 -0.222 0.000 0.970 409 D CA 1.026 54.764 54.000 -0.437 0.000 0.851 409 D CB -0.528 39.794 40.800 -0.796 0.000 0.943 409 D HN 0.487 nan 8.370 nan 0.000 0.488 410 L N 0.159 121.220 121.223 -0.271 0.000 2.202 410 L HA 0.193 4.535 4.340 0.003 0.000 0.205 410 L C 2.713 179.566 176.870 -0.028 0.000 1.083 410 L CA 0.699 55.355 54.840 -0.306 0.000 0.790 410 L CB -0.418 41.237 42.059 -0.673 0.000 0.942 410 L HN 0.011 nan 8.230 nan 0.000 0.452 411 A N 0.149 122.941 122.820 -0.048 0.000 2.070 411 A HA -0.160 4.161 4.320 0.003 0.000 0.220 411 A C 2.287 179.916 177.584 0.076 0.000 1.159 411 A CA 1.185 53.236 52.037 0.024 0.000 0.656 411 A CB -0.497 18.494 19.000 -0.015 0.000 0.800 411 A HN 0.374 nan 8.150 nan 0.000 0.453 412 L N -1.175 120.091 121.223 0.072 0.000 2.044 412 L HA -0.217 4.125 4.340 0.003 0.000 0.205 412 L C 2.813 179.751 176.870 0.112 0.000 1.075 412 L CA 1.662 56.549 54.840 0.079 0.000 0.747 412 L CB -0.317 41.783 42.059 0.067 0.000 0.903 412 L HN 0.495 nan 8.230 nan 0.000 0.435 413 Q N -1.143 118.759 119.800 0.170 0.000 2.083 413 Q HA -0.108 4.233 4.340 0.003 0.000 0.198 413 Q C -0.085 176.029 176.000 0.189 0.000 0.969 413 Q CA 0.970 56.883 55.803 0.183 0.000 0.838 413 Q CB 0.285 29.183 28.738 0.266 0.000 0.900 413 Q HN 0.303 nan 8.270 nan 0.000 0.436 414 D N -1.583 118.993 120.400 0.293 0.000 2.602 414 D HA 0.130 4.772 4.640 0.003 0.000 0.245 414 D C -0.207 176.230 176.300 0.229 0.000 1.325 414 D CA -0.151 54.017 54.000 0.280 0.000 0.952 414 D CB 1.392 42.421 40.800 0.382 0.000 1.317 414 D HN -0.137 nan 8.370 nan 0.000 0.577 415 T N 1.850 116.483 114.554 0.131 0.000 2.977 415 T HA -0.134 4.218 4.350 0.003 0.000 0.271 415 T C 1.098 175.792 174.700 -0.011 0.000 1.105 415 T CA 0.964 63.083 62.100 0.031 0.000 1.116 415 T CB -0.133 68.718 68.868 -0.030 0.000 0.878 415 T HN 0.525 nan 8.240 nan 0.000 0.509 416 Y N -0.542 119.705 120.300 -0.088 0.000 2.331 416 Y HA 0.190 4.741 4.550 0.002 0.000 0.282 416 Y C 1.733 177.552 175.900 -0.134 0.000 1.140 416 Y CA -0.073 57.910 58.100 -0.195 0.000 1.198 416 Y CB -0.320 38.001 38.460 -0.232 0.000 1.159 416 Y HN 0.071 nan 8.280 nan 0.000 0.512 417 W N 0.941 122.407 121.300 0.278 0.000 2.364 417 W HA -0.041 4.620 4.660 0.002 0.000 0.281 417 W C 2.473 178.997 176.519 0.008 0.000 1.219 417 W CA 1.436 58.886 57.345 0.174 0.000 1.220 417 W CB -0.633 29.053 29.460 0.377 0.000 1.127 417 W HN 0.333 nan 8.180 nan 0.000 0.556 418 G N -0.911 108.018 108.800 0.215 0.000 2.402 418 G HA2 -0.198 3.764 3.960 0.003 0.000 0.216 418 G HA3 -0.198 3.764 3.960 0.003 0.000 0.216 418 G C 1.435 176.254 174.900 -0.134 0.000 1.162 418 G CA 1.526 46.605 45.100 -0.035 0.000 0.777 418 G HN 0.161 nan 8.290 nan 0.000 0.539 419 T N 0.687 115.158 114.554 -0.138 0.000 2.951 419 T HA 0.019 4.371 4.350 0.003 0.000 0.268 419 T C 2.242 176.800 174.700 -0.236 0.000 1.073 419 T CA 0.719 62.704 62.100 -0.191 0.000 1.134 419 T CB -0.023 68.721 68.868 -0.206 0.000 0.884 419 T HN 0.132 nan 8.240 nan 0.000 0.479 420 L N 0.558 121.591 121.223 -0.316 0.000 2.072 420 L HA 0.171 4.513 4.340 0.003 0.000 0.205 420 L C 2.069 178.857 176.870 -0.137 0.000 1.079 420 L CA 1.265 55.909 54.840 -0.327 0.000 0.752 420 L CB -0.227 41.484 42.059 -0.579 0.000 0.906 420 L HN 0.205 nan 8.230 nan 0.000 0.436 421 I N -0.366 120.129 120.570 -0.124 0.000 2.454 421 I HA -0.265 3.907 4.170 0.003 0.000 0.254 421 I C 2.548 178.613 176.117 -0.087 0.000 1.156 421 I CA 0.918 62.132 61.300 -0.144 0.000 1.433 421 I CB -0.523 37.256 38.000 -0.368 0.000 1.082 421 I HN 0.332 nan 8.210 nan 0.000 0.432 422 A N 0.499 123.242 122.820 -0.128 0.000 1.898 422 A HA -0.126 4.195 4.320 0.003 0.000 0.216 422 A C 2.361 179.945 177.584 0.000 0.000 1.181 422 A CA 1.687 53.648 52.037 -0.127 0.000 0.620 422 A CB -0.774 18.109 19.000 -0.195 0.000 0.819 422 A HN 0.254 nan 8.150 nan 0.000 0.442 423 V N -0.083 119.829 119.914 -0.005 0.000 2.548 423 V HA -0.158 3.963 4.120 0.003 0.000 0.249 423 V C 2.412 178.582 176.094 0.127 0.000 1.055 423 V CA 1.535 63.860 62.300 0.043 0.000 1.065 423 V CB -0.765 31.067 31.823 0.014 0.000 0.681 423 V HN 0.522 nan 8.190 nan 0.000 0.462 424 L N -0.306 121.029 121.223 0.186 0.000 2.095 424 L HA -0.035 4.307 4.340 0.003 0.000 0.204 424 L C 2.474 179.531 176.870 0.311 0.000 1.080 424 L CA 1.369 56.437 54.840 0.381 0.000 0.759 424 L CB -0.458 41.863 42.059 0.437 0.000 0.914 424 L HN 0.293 nan 8.230 nan 0.000 0.439 425 E N -0.285 120.043 120.200 0.213 0.000 2.418 425 E HA -0.121 4.230 4.350 0.003 0.000 0.197 425 E C 2.084 178.751 176.600 0.110 0.000 1.026 425 E CA 0.476 56.977 56.400 0.169 0.000 0.862 425 E CB 0.263 30.071 29.700 0.180 0.000 0.799 425 E HN 0.317 nan 8.360 nan 0.000 0.518 426 S N -0.572 115.211 115.700 0.139 0.000 2.362 426 S HA -0.088 4.383 4.470 0.003 0.000 0.221 426 S C 1.896 176.459 174.600 -0.062 0.000 1.032 426 S CA 0.735 58.968 58.200 0.055 0.000 0.973 426 S CB 0.120 63.370 63.200 0.082 0.000 0.849 426 S HN 0.130 nan 8.310 nan 0.000 0.465 427 V N 1.878 121.724 119.914 -0.114 0.000 2.594 427 V HA -0.090 4.032 4.120 0.003 0.000 0.253 427 V C 2.344 178.176 176.094 -0.436 0.000 1.069 427 V CA 1.457 63.551 62.300 -0.345 0.000 1.082 427 V CB -0.646 30.816 31.823 -0.602 0.000 0.680 427 V HN 0.330 nan 8.190 nan 0.000 0.469 428 R N 0.195 120.551 120.500 -0.239 0.000 2.090 428 R HA -0.081 4.260 4.340 0.003 0.000 0.228 428 R C 2.319 178.550 176.300 -0.114 0.000 1.110 428 R CA 1.152 57.168 56.100 -0.140 0.000 0.973 428 R CB -0.033 30.304 30.300 0.062 0.000 0.869 428 R HN 0.447 nan 8.270 nan 0.000 0.440 429 K N -0.929 119.404 120.400 -0.111 0.000 2.228 429 K HA -0.006 4.316 4.320 0.003 0.000 0.202 429 K C 1.608 178.155 176.600 -0.087 0.000 1.051 429 K CA 1.461 57.691 56.287 -0.095 0.000 0.960 429 K CB 0.292 32.721 32.500 -0.118 0.000 0.743 429 K HN 0.194 nan 8.250 nan 0.000 0.458 430 T N 1.252 115.734 114.554 -0.119 0.000 3.023 430 T HA 0.038 4.389 4.350 0.003 0.000 0.266 430 T C 1.677 176.310 174.700 -0.111 0.000 1.093 430 T CA 0.619 62.653 62.100 -0.111 0.000 1.129 430 T CB 0.082 68.868 68.868 -0.136 0.000 0.899 430 T HN 0.086 nan 8.240 nan 0.000 0.491 431 L N 0.708 121.847 121.223 -0.140 0.000 2.529 431 L HA 0.165 4.507 4.340 0.003 0.000 0.223 431 L C 2.405 179.244 176.870 -0.051 0.000 1.113 431 L CA 0.231 55.006 54.840 -0.109 0.000 0.861 431 L CB -0.182 41.784 42.059 -0.156 0.000 1.012 431 L HN 0.165 nan 8.230 nan 0.000 0.461 432 S N -0.280 115.392 115.700 -0.047 0.000 2.428 432 S HA -0.112 4.359 4.470 0.003 0.000 0.230 432 S C 1.921 176.528 174.600 0.011 0.000 1.014 432 S CA 1.374 59.561 58.200 -0.022 0.000 0.957 432 S CB -0.005 63.170 63.200 -0.042 0.000 0.784 432 S HN 0.418 nan 8.310 nan 0.000 0.499 433 V N -1.918 118.002 119.914 0.009 0.000 2.599 433 V HA 0.538 4.660 4.120 0.003 0.000 0.245 433 V C 1.341 177.447 176.094 0.021 0.000 1.046 433 V CA 0.884 63.204 62.300 0.034 0.000 1.065 433 V CB -0.862 30.969 31.823 0.015 0.000 0.703 433 V HN 0.466 nan 8.190 nan 0.000 0.464 434 G N -0.240 108.560 108.800 -0.001 0.000 2.192 434 G HA2 0.340 4.301 3.960 0.003 0.000 0.152 434 G HA3 0.340 4.301 3.960 0.003 0.000 0.152 434 G C -0.127 174.764 174.900 -0.015 0.000 1.057 434 G CA -0.056 45.042 45.100 -0.002 0.000 0.748 434 G HN 1.349 nan 8.290 nan 0.000 0.488 435 A N 0.634 123.435 122.820 -0.031 0.000 2.342 435 A HA 0.805 5.127 4.320 0.003 0.000 0.323 435 A C 0.161 177.711 177.584 -0.057 0.000 1.125 435 A CA -0.360 51.653 52.037 -0.039 0.000 0.785 435 A CB 0.724 19.698 19.000 -0.044 0.000 1.221 435 A HN 0.737 nan 8.150 nan 0.000 0.463 436 E N 2.850 123.022 120.200 -0.046 0.000 2.130 436 E HA 0.422 4.774 4.350 0.003 0.000 0.284 436 E C -2.660 173.902 176.600 -0.065 0.000 1.018 436 E CA -1.837 54.530 56.400 -0.055 0.000 0.817 436 E CB 0.221 29.903 29.700 -0.029 0.000 1.078 436 E HN 0.287 nan 8.360 nan 0.000 0.396 437 P HA -0.124 nan 4.420 nan 0.000 0.266 437 P C -0.291 176.974 177.300 -0.058 0.000 1.186 437 P CA 0.442 63.485 63.100 -0.095 0.000 0.767 437 P CB 0.584 32.202 31.700 -0.137 0.000 0.820 438 L N 0.670 121.862 121.223 -0.051 0.000 2.678 438 L HA 0.485 4.827 4.340 0.003 0.000 0.211 438 L C 0.821 177.698 176.870 0.011 0.000 1.043 438 L CA 0.264 55.089 54.840 -0.025 0.000 0.881 438 L CB 0.043 42.075 42.059 -0.044 0.000 1.361 438 L HN 0.383 nan 8.230 nan 0.000 0.484 439 A N -0.192 122.647 122.820 0.031 0.000 2.588 439 A HA 0.784 5.105 4.320 0.003 0.000 0.290 439 A C -1.609 176.092 177.584 0.195 0.000 1.136 439 A CA -0.358 51.762 52.037 0.138 0.000 0.681 439 A CB 1.816 20.978 19.000 0.270 0.000 1.282 439 A HN 0.005 nan 8.150 nan 0.000 0.421 440 I N -0.335 120.355 120.570 0.198 0.000 2.934 440 I HA 0.659 4.831 4.170 0.003 0.000 0.306 440 I C -0.428 175.711 176.117 0.037 0.000 1.110 440 I CA -0.496 60.885 61.300 0.135 0.000 1.019 440 I CB 2.724 40.751 38.000 0.046 0.000 1.227 440 I HN 0.592 nan 8.210 nan 0.000 0.434 441 T N 3.427 117.961 114.554 -0.034 0.000 3.031 441 T HA 0.370 4.722 4.350 0.003 0.000 0.305 441 T C -0.929 173.702 174.700 -0.114 0.000 0.985 441 T CA -0.747 61.228 62.100 -0.207 0.000 1.008 441 T CB 0.358 68.912 68.868 -0.524 0.000 1.005 441 T HN 0.746 nan 8.240 nan 0.000 0.444 442 N N 2.315 120.949 118.700 -0.110 0.000 2.463 442 N HA 0.631 5.373 4.740 0.003 0.000 0.270 442 N C -0.763 174.707 175.510 -0.067 0.000 1.205 442 N CA -0.676 52.327 53.050 -0.079 0.000 0.974 442 N CB 1.545 39.982 38.487 -0.083 0.000 1.197 442 N HN 0.477 nan 8.380 nan 0.000 0.504 443 C N 1.933 121.207 119.300 -0.043 0.000 2.887 443 C HA 0.340 4.802 4.460 0.003 0.000 0.379 443 C C -1.248 173.734 174.990 -0.012 0.000 1.064 443 C CA -0.584 58.425 59.018 -0.015 0.000 1.282 443 C CB -0.504 27.238 27.740 0.003 0.000 1.749 443 C HN 0.606 nan 8.230 nan 0.000 0.489 444 V N 7.165 127.075 119.914 -0.005 0.000 2.406 444 V HA 0.400 4.521 4.120 0.003 0.000 0.272 444 V C 0.431 176.546 176.094 0.035 0.000 1.043 444 V CA 0.043 62.339 62.300 -0.007 0.000 0.915 444 V CB 1.009 32.810 31.823 -0.036 0.000 0.988 444 V HN 0.835 nan 8.190 nan 0.000 0.466 445 N N 3.837 122.561 118.700 0.040 0.000 2.914 445 N HA 0.205 4.946 4.740 0.003 0.000 0.304 445 N C -0.906 174.658 175.510 0.090 0.000 1.727 445 N CA -0.267 52.813 53.050 0.051 0.000 0.986 445 N CB 0.946 39.441 38.487 0.012 0.000 1.297 445 N HN 0.676 nan 8.380 nan 0.000 0.490 446 Y N 0.571 120.836 120.300 -0.059 0.000 2.326 446 Y HA 0.418 4.969 4.550 0.003 0.000 0.324 446 Y C 1.356 177.206 175.900 -0.083 0.000 1.291 446 Y CA -0.157 57.893 58.100 -0.083 0.000 1.348 446 Y CB 0.692 39.078 38.460 -0.122 0.000 1.294 446 Y HN 0.223 nan 8.280 nan 0.000 0.525 447 G N 1.017 109.321 108.800 -0.828 0.000 3.048 447 G HA2 -0.056 3.906 3.960 0.003 0.000 0.151 447 G HA3 -0.056 3.906 3.960 0.003 0.000 0.151 447 G C -0.687 173.893 174.900 -0.533 0.000 1.803 447 G CA -0.166 44.586 45.100 -0.580 0.000 1.047 447 G HN 0.611 nan 8.290 nan 0.000 0.513 448 D N 1.260 121.390 120.400 -0.449 0.000 2.316 448 D HA 0.227 4.868 4.640 0.003 0.000 0.245 448 D C -1.500 174.632 176.300 -0.280 0.000 1.171 448 D CA -1.535 52.257 54.000 -0.347 0.000 0.856 448 D CB 1.822 42.547 40.800 -0.125 0.000 1.090 448 D HN -0.001 nan 8.370 nan 0.000 0.476 449 P HA 0.087 nan 4.420 nan 0.000 0.253 449 P C 0.123 177.442 177.300 0.032 0.000 1.260 449 P CA 0.232 63.290 63.100 -0.071 0.000 0.800 449 P CB 0.810 32.347 31.700 -0.273 0.000 1.162 450 D N -0.855 119.558 120.400 0.022 0.000 2.455 450 D HA 0.034 4.675 4.640 0.003 0.000 0.228 450 D C 1.833 178.195 176.300 0.104 0.000 1.070 450 D CA 0.435 54.517 54.000 0.138 0.000 0.881 450 D CB 0.579 41.496 40.800 0.194 0.000 1.087 450 D HN -0.012 nan 8.370 nan 0.000 0.498 451 V N 0.678 120.632 119.914 0.066 0.000 2.788 451 V HA -0.030 4.092 4.120 0.003 0.000 0.251 451 V C 0.701 176.834 176.094 0.065 0.000 1.068 451 V CA 1.129 63.460 62.300 0.052 0.000 1.090 451 V CB 0.173 32.009 31.823 0.022 0.000 0.710 451 V HN 0.047 nan 8.190 nan 0.000 0.467 452 D N -0.965 119.492 120.400 0.094 0.000 2.846 452 D HA 0.206 4.847 4.640 0.003 0.000 0.279 452 D C -2.415 174.006 176.300 0.202 0.000 1.222 452 D CA -1.044 53.040 54.000 0.141 0.000 0.769 452 D CB 1.567 42.456 40.800 0.150 0.000 1.299 452 D HN 0.196 nan 8.370 nan 0.000 0.537 453 P HA -0.011 nan 4.420 nan 0.000 0.242 453 P C 1.473 178.829 177.300 0.093 0.000 1.197 453 P CA 0.277 63.467 63.100 0.150 0.000 0.765 453 P CB 0.618 32.417 31.700 0.166 0.000 0.936 454 V N -0.370 119.594 119.914 0.085 0.000 2.379 454 V HA -0.044 4.078 4.120 0.003 0.000 0.243 454 V C 2.606 178.661 176.094 -0.065 0.000 1.035 454 V CA 2.284 64.623 62.300 0.065 0.000 1.035 454 V CB -1.778 30.109 31.823 0.107 0.000 0.673 454 V HN 0.137 nan 8.190 nan 0.000 0.457 455 G N 0.106 108.869 108.800 -0.061 0.000 2.422 455 G HA2 -0.215 3.746 3.960 0.003 0.000 0.218 455 G HA3 -0.215 3.746 3.960 0.003 0.000 0.218 455 G C 1.588 176.110 174.900 -0.630 0.000 1.140 455 G CA 1.000 45.981 45.100 -0.199 0.000 0.775 455 G HN 0.421 nan 8.290 nan 0.000 0.545 456 L N 1.098 121.765 121.223 -0.927 0.000 2.093 456 L HA 0.032 4.374 4.340 0.003 0.000 0.208 456 L C 2.812 179.267 176.870 -0.692 0.000 1.085 456 L CA 2.176 56.383 54.840 -1.054 0.000 0.755 456 L CB -0.414 41.170 42.059 -0.791 0.000 0.904 456 L HN 0.146 nan 8.230 nan 0.000 0.435 457 S N -0.223 115.213 115.700 -0.440 0.000 2.387 457 S HA -0.025 4.447 4.470 0.003 0.000 0.226 457 S C 2.038 176.481 174.600 -0.261 0.000 1.026 457 S CA 0.885 58.950 58.200 -0.224 0.000 0.972 457 S CB -0.499 62.774 63.200 0.121 0.000 0.814 457 S HN 0.627 nan 8.310 nan 0.000 0.477 458 A N 0.961 123.493 122.820 -0.480 0.000 2.121 458 A HA 0.073 4.394 4.320 0.003 0.000 0.218 458 A C 1.993 179.390 177.584 -0.311 0.000 1.154 458 A CA 1.159 52.792 52.037 -0.673 0.000 0.679 458 A CB -0.468 17.920 19.000 -1.020 0.000 0.795 458 A HN 0.542 nan 8.150 nan 0.000 0.458 459 M N -1.741 117.646 119.600 -0.354 0.000 2.412 459 M HA 0.059 4.540 4.480 0.003 0.000 0.263 459 M C 1.769 177.901 176.300 -0.281 0.000 1.122 459 M CA 1.148 56.261 55.300 -0.313 0.000 1.179 459 M CB 0.004 32.391 32.600 -0.356 0.000 1.335 459 M HN 0.241 nan 8.290 nan 0.000 0.465 460 M N -0.087 119.317 119.600 -0.327 0.000 2.229 460 M HA -0.074 4.407 4.480 0.003 0.000 0.264 460 M C 1.813 178.048 176.300 -0.110 0.000 1.063 460 M CA 1.478 56.622 55.300 -0.261 0.000 1.114 460 M CB -1.477 30.848 32.600 -0.459 0.000 1.387 460 M HN 0.284 nan 8.290 nan 0.000 0.420 461 T N 0.362 114.884 114.554 -0.053 0.000 3.043 461 T HA 0.148 4.499 4.350 0.003 0.000 0.263 461 T C 1.858 176.562 174.700 0.008 0.000 1.094 461 T CA 0.997 63.137 62.100 0.066 0.000 1.127 461 T CB -0.070 68.911 68.868 0.189 0.000 0.905 461 T HN 0.434 nan 8.240 nan 0.000 0.490 462 A N 1.112 123.822 122.820 -0.183 0.000 2.016 462 A HA 0.233 4.555 4.320 0.003 0.000 0.217 462 A C 2.122 179.503 177.584 -0.338 0.000 1.162 462 A CA 0.537 52.238 52.037 -0.560 0.000 0.662 462 A CB -0.425 18.133 19.000 -0.736 0.000 0.812 462 A HN 0.423 nan 8.150 nan 0.000 0.450 463 L N -0.803 120.299 121.223 -0.201 0.000 2.307 463 L HA 0.028 4.369 4.340 0.003 0.000 0.211 463 L C 2.194 179.025 176.870 -0.065 0.000 1.099 463 L CA 1.553 56.316 54.840 -0.127 0.000 0.816 463 L CB -0.441 41.548 42.059 -0.117 0.000 0.952 463 L HN 0.496 nan 8.230 nan 0.000 0.455 464 K N 0.423 120.797 120.400 -0.044 0.000 2.031 464 K HA -0.167 4.154 4.320 0.003 0.000 0.205 464 K C 1.534 178.150 176.600 0.026 0.000 1.049 464 K CA 1.787 58.077 56.287 0.006 0.000 0.939 464 K CB -0.035 32.485 32.500 0.034 0.000 0.717 464 K HN 0.434 nan 8.250 nan 0.000 0.438 465 N N 0.228 118.938 118.700 0.016 0.000 2.244 465 N HA -0.097 4.645 4.740 0.003 0.000 0.183 465 N C 1.680 177.229 175.510 0.065 0.000 1.016 465 N CA 0.773 53.851 53.050 0.046 0.000 0.866 465 N CB -0.051 38.462 38.487 0.044 0.000 0.980 465 N HN 0.228 nan 8.380 nan 0.000 0.430 466 A N -0.020 122.801 122.820 0.002 0.000 2.119 466 A HA -0.040 4.282 4.320 0.003 0.000 0.217 466 A C 1.989 179.675 177.584 0.170 0.000 1.153 466 A CA 0.648 52.731 52.037 0.075 0.000 0.692 466 A CB -0.418 18.573 19.000 -0.014 0.000 0.799 466 A HN 0.429 nan 8.150 nan 0.000 0.458 467 C N -0.989 118.377 119.300 0.110 0.000 2.634 467 C HA 0.138 4.600 4.460 0.003 0.000 0.268 467 C C 2.260 177.323 174.990 0.122 0.000 1.322 467 C CA 0.497 59.578 59.018 0.105 0.000 1.737 467 C CB -0.814 26.959 27.740 0.055 0.000 1.976 467 C HN 0.682 nan 8.230 nan 0.000 0.547 468 E N -0.249 120.037 120.200 0.143 0.000 2.276 468 E HA -0.021 4.330 4.350 0.003 0.000 0.193 468 E C 1.596 178.308 176.600 0.187 0.000 0.983 468 E CA 0.559 57.041 56.400 0.137 0.000 0.861 468 E CB -0.062 29.711 29.700 0.121 0.000 0.817 468 E HN 0.704 nan 8.360 nan 0.000 0.485 469 F N 1.412 121.414 119.950 0.086 0.000 2.163 469 F HA -0.151 4.378 4.527 0.003 0.000 0.297 469 F C 2.290 178.188 175.800 0.163 0.000 1.094 469 F CA 1.516 59.577 58.000 0.102 0.000 1.290 469 F CB 0.223 39.282 39.000 0.099 0.000 1.017 469 F HN -0.046 nan 8.300 nan 0.000 0.483 470 S N -0.850 115.025 115.700 0.292 0.000 2.524 470 S HA 0.268 4.740 4.470 0.003 0.000 0.216 470 S C 1.670 176.355 174.600 0.140 0.000 0.987 470 S CA 0.327 58.705 58.200 0.297 0.000 0.909 470 S CB 0.008 63.444 63.200 0.393 0.000 0.781 470 S HN 0.737 nan 8.310 nan 0.000 0.521 471 G N 0.912 109.776 108.800 0.107 0.000 2.168 471 G HA2 -0.237 3.725 3.960 0.003 0.000 0.257 471 G HA3 -0.237 3.725 3.960 0.003 0.000 0.257 471 G C -0.013 174.920 174.900 0.055 0.000 0.997 471 G CA 0.230 45.370 45.100 0.066 0.000 0.708 471 G HN 0.721 nan 8.290 nan 0.000 0.520 472 V N 2.960 122.913 119.914 0.065 0.000 2.348 472 V HA 0.420 4.542 4.120 0.003 0.000 0.270 472 V C -0.943 175.179 176.094 0.046 0.000 1.037 472 V CA -1.364 60.963 62.300 0.044 0.000 0.872 472 V CB 1.376 33.216 31.823 0.029 0.000 1.002 472 V HN 0.266 nan 8.190 nan 0.000 0.464 473 P HA 0.239 nan 4.420 nan 0.000 0.274 473 P C -0.731 176.588 177.300 0.031 0.000 1.246 473 P CA -0.209 62.910 63.100 0.033 0.000 0.795 473 P CB 1.389 33.106 31.700 0.030 0.000 1.006 474 V N 1.376 121.294 119.914 0.007 0.000 2.370 474 V HA 0.301 4.423 4.120 0.003 0.000 0.279 474 V C 1.423 177.490 176.094 -0.044 0.000 1.029 474 V CA 0.010 62.297 62.300 -0.022 0.000 0.870 474 V CB 0.412 32.208 31.823 -0.045 0.000 0.984 474 V HN 0.735 nan 8.190 nan 0.000 0.451 475 A N 4.501 127.278 122.820 -0.071 0.000 1.843 475 A HA 0.229 4.550 4.320 0.003 0.000 0.213 475 A C 1.110 178.596 177.584 -0.163 0.000 1.202 475 A CA 1.236 53.215 52.037 -0.095 0.000 0.607 475 A CB -0.037 18.908 19.000 -0.091 0.000 0.847 475 A HN 0.977 nan 8.150 nan 0.000 0.445 476 S N -3.347 112.195 115.700 -0.264 0.000 2.618 476 S HA 0.736 5.207 4.470 0.003 0.000 0.277 476 S C -0.245 174.218 174.600 -0.228 0.000 1.138 476 S CA -0.134 57.925 58.200 -0.235 0.000 0.844 476 S CB 1.358 64.403 63.200 -0.258 0.000 1.127 476 S HN 1.271 nan 8.310 nan 0.000 0.474 477 G N -0.079 108.609 108.800 -0.185 0.000 2.827 477 G HA2 0.733 4.694 3.960 0.003 0.000 0.296 477 G HA3 0.733 4.694 3.960 0.003 0.000 0.296 477 G C -1.639 173.200 174.900 -0.102 0.000 1.362 477 G CA -0.845 44.164 45.100 -0.152 0.000 0.809 477 G HN 0.919 nan 8.290 nan 0.000 0.522 478 N N -2.504 116.170 118.700 -0.043 0.000 3.127 478 N HA 0.649 5.390 4.740 0.003 0.000 0.239 478 N C -1.513 174.078 175.510 0.135 0.000 1.407 478 N CA 0.082 53.185 53.050 0.089 0.000 0.891 478 N CB 2.116 40.639 38.487 0.059 0.000 1.447 478 N HN 1.157 nan 8.380 nan 0.000 0.507 479 A N 0.776 123.745 122.820 0.248 0.000 2.485 479 A HA 0.601 4.922 4.320 0.003 0.000 0.285 479 A C -1.515 176.133 177.584 0.107 0.000 1.045 479 A CA -0.474 51.671 52.037 0.181 0.000 0.792 479 A CB 1.166 20.320 19.000 0.256 0.000 1.307 479 A HN 0.334 nan 8.150 nan 0.000 0.406 480 S N 2.621 118.390 115.700 0.114 0.000 2.601 480 S HA 0.606 5.077 4.470 0.003 0.000 0.312 480 S C -0.036 174.663 174.600 0.164 0.000 1.107 480 S CA -0.340 57.977 58.200 0.194 0.000 1.129 480 S CB -0.028 63.300 63.200 0.212 0.000 0.982 480 S HN 0.582 nan 8.310 nan 0.000 0.469 481 L N 2.045 123.360 121.223 0.154 0.000 2.433 481 L HA 0.585 4.927 4.340 0.003 0.000 0.265 481 L C -0.181 176.773 176.870 0.140 0.000 1.049 481 L CA -1.146 53.714 54.840 0.033 0.000 0.805 481 L CB 0.066 42.034 42.059 -0.151 0.000 1.373 481 L HN 0.653 nan 8.230 nan 0.000 0.479 482 Y N -0.418 119.883 120.300 0.002 0.000 3.790 482 Y HA -0.234 4.317 4.550 0.002 0.000 0.226 482 Y C 0.015 175.927 175.900 0.020 0.000 1.257 482 Y CA -0.030 58.064 58.100 -0.010 0.000 1.765 482 Y CB -2.150 36.306 38.460 -0.008 0.000 1.552 482 Y HN 0.539 nan 8.280 nan 0.000 0.650 483 N N 1.921 120.670 118.700 0.082 0.000 2.602 483 N HA 0.309 5.051 4.740 0.003 0.000 0.238 483 N C 0.120 175.655 175.510 0.043 0.000 1.084 483 N CA 0.570 53.665 53.050 0.075 0.000 0.952 483 N CB 1.026 39.535 38.487 0.037 0.000 1.244 483 N HN 0.427 nan 8.380 nan 0.000 0.512 484 T N -1.072 113.533 114.554 0.085 0.000 2.903 484 T HA 0.447 4.799 4.350 0.003 0.000 0.299 484 T C -1.230 173.558 174.700 0.147 0.000 1.093 484 T CA -0.742 61.402 62.100 0.073 0.000 1.002 484 T CB 2.107 70.996 68.868 0.035 0.000 1.127 484 T HN 0.294 nan 8.240 nan 0.000 0.488 485 Y N 1.668 121.956 120.300 -0.019 0.000 2.386 485 Y HA 0.415 4.966 4.550 0.002 0.000 0.334 485 Y C 0.454 176.310 175.900 -0.073 0.000 1.002 485 Y CA -0.534 57.538 58.100 -0.046 0.000 1.068 485 Y CB 1.544 39.972 38.460 -0.054 0.000 1.203 485 Y HN 0.849 nan 8.280 nan 0.000 0.443 486 Q N 3.551 122.981 119.800 -0.618 0.000 2.305 486 Q HA -0.238 4.104 4.340 0.003 0.000 0.203 486 Q C 1.104 176.985 176.000 -0.199 0.000 0.663 486 Q CA 1.807 57.349 55.803 -0.435 0.000 1.389 486 Q CB -1.795 26.748 28.738 -0.325 0.000 1.566 486 Q HN 1.678 nan 8.270 nan 0.000 0.755 487 G N 0.252 108.971 108.800 -0.134 0.000 2.234 487 G HA2 -0.331 3.631 3.960 0.003 0.000 0.235 487 G HA3 -0.331 3.631 3.960 0.003 0.000 0.235 487 G C 0.069 174.942 174.900 -0.044 0.000 0.997 487 G CA 0.399 45.459 45.100 -0.067 0.000 0.623 487 G HN 0.274 nan 8.290 nan 0.000 0.514 488 K N 2.514 122.889 120.400 -0.042 0.000 2.383 488 K HA 0.372 4.694 4.320 0.003 0.000 0.286 488 K C -1.804 174.777 176.600 -0.031 0.000 1.051 488 K CA -1.298 54.972 56.287 -0.029 0.000 0.974 488 K CB 0.936 33.429 32.500 -0.011 0.000 0.968 488 K HN 0.194 nan 8.250 nan 0.000 0.475 489 P HA 0.042 nan 4.420 nan 0.000 0.274 489 P C -0.041 177.190 177.300 -0.115 0.000 1.246 489 P CA -0.264 62.765 63.100 -0.119 0.000 0.795 489 P CB 0.798 32.374 31.700 -0.207 0.000 1.006 490 I N 1.807 122.294 120.570 -0.138 0.000 2.581 490 I HA 0.202 4.374 4.170 0.003 0.000 0.288 490 I C -2.041 173.983 176.117 -0.155 0.000 1.047 490 I CA -2.694 58.521 61.300 -0.140 0.000 1.374 490 I CB 1.186 39.141 38.000 -0.074 0.000 1.423 490 I HN 0.177 nan 8.210 nan 0.000 0.549 491 P HA 0.084 nan 4.420 nan 0.000 0.266 491 P C -2.404 174.892 177.300 -0.006 0.000 1.215 491 P CA -0.728 62.310 63.100 -0.104 0.000 0.763 491 P CB -0.119 31.483 31.700 -0.163 0.000 0.806 492 P HA -0.047 nan 4.420 nan 0.000 0.252 492 P C -0.680 176.660 177.300 0.067 0.000 1.183 492 P CA 0.599 63.777 63.100 0.130 0.000 0.973 492 P CB -0.161 31.669 31.700 0.217 0.000 0.990 493 T N 5.020 119.604 114.554 0.048 0.000 2.756 493 T HA 0.398 4.749 4.350 0.003 0.000 0.290 493 T C 0.030 174.707 174.700 -0.038 0.000 0.985 493 T CA -0.439 61.653 62.100 -0.012 0.000 0.955 493 T CB 0.905 69.722 68.868 -0.086 0.000 0.930 493 T HN 0.200 nan 8.240 nan 0.000 0.451 494 L N 5.116 126.305 121.223 -0.057 0.000 2.287 494 L HA 0.626 4.967 4.340 0.003 0.000 0.287 494 L C -0.817 176.024 176.870 -0.050 0.000 1.022 494 L CA -0.545 54.258 54.840 -0.061 0.000 0.814 494 L CB 1.012 43.016 42.059 -0.091 0.000 1.217 494 L HN 0.400 nan 8.230 nan 0.000 0.420 495 V N 6.159 126.062 119.914 -0.019 0.000 2.364 495 V HA 0.397 4.519 4.120 0.003 0.000 0.272 495 V C 0.004 176.099 176.094 0.001 0.000 1.036 495 V CA -0.577 61.734 62.300 0.018 0.000 0.880 495 V CB 1.407 33.274 31.823 0.073 0.000 0.991 495 V HN 0.535 nan 8.190 nan 0.000 0.460 496 V N 3.603 123.523 119.914 0.010 0.000 2.617 496 V HA 0.822 4.944 4.120 0.003 0.000 0.298 496 V C 0.717 176.822 176.094 0.019 0.000 1.048 496 V CA -0.282 62.024 62.300 0.009 0.000 0.964 496 V CB 1.818 33.653 31.823 0.020 0.000 1.004 496 V HN 0.963 nan 8.190 nan 0.000 0.466 497 G N 4.107 112.917 108.800 0.017 0.000 2.760 497 G HA2 0.569 4.531 3.960 0.003 0.000 0.285 497 G HA3 0.569 4.531 3.960 0.003 0.000 0.285 497 G C -0.726 174.237 174.900 0.105 0.000 1.496 497 G CA -0.586 44.521 45.100 0.013 0.000 1.026 497 G HN 0.350 nan 8.290 nan 0.000 0.536 498 M N 1.736 121.334 119.600 -0.002 0.000 2.291 498 M HA 0.529 5.011 4.480 0.003 0.000 0.324 498 M C -0.392 175.821 176.300 -0.145 0.000 1.148 498 M CA -0.667 54.618 55.300 -0.026 0.000 1.104 498 M CB 1.711 34.271 32.600 -0.066 0.000 1.483 498 M HN 0.334 nan 8.290 nan 0.000 0.467 499 L N 0.475 121.583 121.223 -0.192 0.000 2.464 499 L HA 0.804 5.145 4.340 0.003 0.000 0.266 499 L C -0.854 175.911 176.870 -0.176 0.000 0.965 499 L CA -0.226 54.416 54.840 -0.330 0.000 0.833 499 L CB 2.213 43.841 42.059 -0.719 0.000 1.296 499 L HN 0.814 nan 8.230 nan 0.000 0.405 500 G N 2.905 111.635 108.800 -0.117 0.000 2.659 500 G HA2 0.347 4.309 3.960 0.003 0.000 0.296 500 G HA3 0.347 4.309 3.960 0.003 0.000 0.296 500 G C -1.975 172.909 174.900 -0.027 0.000 1.369 500 G CA -0.591 44.466 45.100 -0.072 0.000 0.937 500 G HN 0.502 nan 8.290 nan 0.000 0.485 501 K N 0.372 120.761 120.400 -0.019 0.000 2.201 501 K HA 0.657 4.979 4.320 0.003 0.000 0.278 501 K C -1.125 175.477 176.600 0.002 0.000 1.027 501 K CA -0.498 55.794 56.287 0.008 0.000 0.909 501 K CB 1.679 34.185 32.500 0.010 0.000 1.062 501 K HN 0.405 nan 8.250 nan 0.000 0.465 502 V N 3.338 123.257 119.914 0.009 0.000 3.178 502 V HA 0.293 4.415 4.120 0.003 0.000 0.302 502 V C -1.662 174.433 176.094 0.001 0.000 1.262 502 V CA -0.991 61.307 62.300 -0.003 0.000 1.030 502 V CB 2.251 34.061 31.823 -0.022 0.000 1.074 502 V HN 0.998 nan 8.190 nan 0.000 0.438 503 N N 5.069 123.769 118.700 -0.001 0.000 2.426 503 N HA 0.399 5.140 4.740 0.003 0.000 0.257 503 N C -1.791 173.711 175.510 -0.013 0.000 1.002 503 N CA -1.707 51.344 53.050 0.002 0.000 0.942 503 N CB 2.152 40.644 38.487 0.008 0.000 1.112 503 N HN 0.551 nan 8.380 nan 0.000 0.499 504 P HA -0.141 nan 4.420 nan 0.000 0.226 504 P C 0.581 177.866 177.300 -0.025 0.000 1.146 504 P CA 1.098 64.176 63.100 -0.037 0.000 0.773 504 P CB 0.531 32.204 31.700 -0.045 0.000 0.772 505 Q N -0.023 119.770 119.800 -0.013 0.000 2.259 505 Q HA 0.091 4.432 4.340 0.003 0.000 0.201 505 Q C 1.241 177.235 176.000 -0.009 0.000 0.938 505 Q CA 0.991 56.789 55.803 -0.009 0.000 0.872 505 Q CB -0.078 28.659 28.738 -0.001 0.000 0.971 505 Q HN 0.148 nan 8.270 nan 0.000 0.494 506 K N 1.050 121.447 120.400 -0.006 0.000 3.006 506 K HA 0.161 4.482 4.320 0.003 0.000 0.262 506 K C -1.010 175.585 176.600 -0.007 0.000 1.289 506 K CA -0.194 56.091 56.287 -0.003 0.000 1.245 506 K CB 0.012 32.514 32.500 0.002 0.000 1.614 506 K HN 0.031 nan 8.250 nan 0.000 0.322 507 V N -2.089 117.815 119.914 -0.016 0.000 2.715 507 V HA 0.682 4.803 4.120 0.003 0.000 0.310 507 V C -0.091 175.978 176.094 -0.041 0.000 1.054 507 V CA -1.406 60.880 62.300 -0.023 0.000 0.928 507 V CB 1.652 33.455 31.823 -0.034 0.000 1.007 507 V HN 0.241 nan 8.190 nan 0.000 0.437 508 A N 3.714 126.512 122.820 -0.037 0.000 2.350 508 A HA 0.593 4.914 4.320 0.003 0.000 0.293 508 A C 0.168 177.550 177.584 -0.338 0.000 1.231 508 A CA -0.302 51.681 52.037 -0.091 0.000 0.883 508 A CB -0.101 18.964 19.000 0.109 0.000 1.133 508 A HN 0.722 nan 8.150 nan 0.000 0.533 509 K N 3.905 124.086 120.400 -0.365 0.000 2.274 509 K HA 0.387 4.708 4.320 0.003 0.000 0.262 509 K C -2.760 173.470 176.600 -0.616 0.000 0.961 509 K CA -2.116 53.898 56.287 -0.454 0.000 0.833 509 K CB 1.895 34.297 32.500 -0.164 0.000 1.102 509 K HN 0.455 nan 8.250 nan 0.000 0.436 510 P HA -0.067 nan 4.420 nan 0.000 0.254 510 P C -0.530 176.621 177.300 -0.248 0.000 1.186 510 P CA 0.368 63.028 63.100 -0.735 0.000 0.868 510 P CB -0.122 31.087 31.700 -0.817 0.000 0.856 511 K N 3.870 124.182 120.400 -0.146 0.000 2.123 511 K HA 0.633 4.955 4.320 0.003 0.000 0.248 511 K C -2.859 173.750 176.600 0.016 0.000 0.969 511 K CA -2.748 53.523 56.287 -0.027 0.000 0.882 511 K CB 0.544 33.040 32.500 -0.006 0.000 1.080 511 K HN 0.032 nan 8.250 nan 0.000 0.441 512 P HA 0.047 nan 4.420 nan 0.000 0.275 512 P C -1.115 176.227 177.300 0.069 0.000 1.276 512 P CA 0.109 63.233 63.100 0.041 0.000 0.782 512 P CB 0.813 32.533 31.700 0.034 0.000 0.851 513 S N 2.220 117.983 115.700 0.105 0.000 2.819 513 S HA 0.587 5.059 4.470 0.003 0.000 0.299 513 S C -0.996 173.668 174.600 0.106 0.000 1.192 513 S CA -1.086 57.195 58.200 0.136 0.000 0.847 513 S CB 1.354 64.681 63.200 0.211 0.000 1.224 513 S HN 0.110 nan 8.310 nan 0.000 0.537 514 K N 0.757 121.210 120.400 0.088 0.000 2.130 514 K HA 0.661 4.982 4.320 0.003 0.000 0.268 514 K C -1.153 175.302 176.600 -0.242 0.000 0.983 514 K CA -0.812 55.411 56.287 -0.108 0.000 0.893 514 K CB 1.590 33.998 32.500 -0.153 0.000 1.066 514 K HN 0.426 nan 8.250 nan 0.000 0.450 515 V N 3.528 123.154 119.914 -0.479 0.000 2.439 515 V HA 0.372 4.493 4.120 0.003 0.000 0.282 515 V C -0.634 175.034 176.094 -0.709 0.000 1.039 515 V CA -0.652 61.262 62.300 -0.643 0.000 0.913 515 V CB -0.016 31.402 31.823 -0.676 0.000 0.983 515 V HN 0.518 nan 8.190 nan 0.000 0.460 516 F N 2.196 121.975 119.950 -0.285 0.000 2.507 516 F HA 0.723 5.252 4.527 0.003 0.000 0.325 516 F C 0.433 176.147 175.800 -0.143 0.000 1.116 516 F CA -0.710 57.198 58.000 -0.154 0.000 0.930 516 F CB 1.892 40.839 39.000 -0.088 0.000 1.146 516 F HN 0.537 nan 8.300 nan 0.000 0.447 517 A N 3.352 126.215 122.820 0.071 0.000 2.294 517 A HA 0.632 4.954 4.320 0.003 0.000 0.316 517 A C -0.618 177.026 177.584 0.101 0.000 1.359 517 A CA -0.585 51.481 52.037 0.049 0.000 0.956 517 A CB 0.070 19.081 19.000 0.018 0.000 1.155 517 A HN 0.777 nan 8.150 nan 0.000 0.544 518 V N 1.601 121.574 119.914 0.099 0.000 2.483 518 V HA 0.995 5.117 4.120 0.003 0.000 0.295 518 V C 0.306 176.469 176.094 0.115 0.000 1.035 518 V CA 0.531 62.896 62.300 0.109 0.000 0.896 518 V CB 0.709 32.584 31.823 0.087 0.000 0.986 518 V HN 2.479 nan 8.190 nan 0.000 0.447 519 G N 3.359 112.253 108.800 0.157 0.000 2.373 519 G HA2 0.066 4.027 3.960 0.003 0.000 0.634 519 G HA3 0.066 4.027 3.960 0.003 0.000 0.634 519 G C -1.218 173.854 174.900 0.287 0.000 1.267 519 G CA -0.335 44.853 45.100 0.146 0.000 1.008 519 G HN 1.654 nan 8.290 nan 0.000 0.497 520 W N -0.270 121.080 121.300 0.082 0.000 2.781 520 W HA 0.540 5.201 4.660 0.002 0.000 0.345 520 W C 0.443 177.028 176.519 0.110 0.000 1.085 520 W CA -1.346 56.042 57.345 0.071 0.000 1.198 520 W CB 0.362 29.845 29.460 0.039 0.000 1.423 520 W HN 0.612 nan 8.180 nan 0.000 0.532 521 N N 0.593 119.471 118.700 0.297 0.000 2.223 521 N HA -0.195 4.546 4.740 0.003 0.000 0.185 521 N C 0.084 175.734 175.510 0.232 0.000 1.016 521 N CA 1.427 54.595 53.050 0.197 0.000 0.863 521 N CB 0.030 38.602 38.487 0.141 0.000 0.983 521 N HN 0.316 nan 8.380 nan 0.000 0.429 522 D N -0.703 119.879 120.400 0.302 0.000 2.387 522 D HA 0.200 4.841 4.640 0.003 0.000 0.255 522 D C -0.910 175.566 176.300 0.293 0.000 1.081 522 D CA -0.433 53.748 54.000 0.302 0.000 0.994 522 D CB 1.332 42.314 40.800 0.302 0.000 1.127 522 D HN -0.055 nan 8.370 nan 0.000 0.513 523 F N 0.167 120.180 119.950 0.105 0.000 2.508 523 F HA 0.375 4.904 4.527 0.003 0.000 0.325 523 F C -0.704 175.123 175.800 0.045 0.000 1.090 523 F CA -0.568 57.426 58.000 -0.011 0.000 0.945 523 F CB 1.774 40.766 39.000 -0.013 0.000 1.156 523 F HN 0.133 nan 8.300 nan 0.000 0.463 524 E N 4.791 124.514 120.200 -0.795 0.000 2.454 524 E HA 0.188 4.539 4.350 0.003 0.000 0.315 524 E C -0.439 175.740 176.600 -0.701 0.000 0.907 524 E CA -0.336 55.793 56.400 -0.452 0.000 0.797 524 E CB 1.415 31.167 29.700 0.088 0.000 1.396 524 E HN 0.725 nan 8.360 nan 0.000 0.389 525 L N 3.300 124.150 121.223 -0.621 0.000 2.127 525 L HA -0.092 4.250 4.340 0.003 0.000 0.211 525 L C 1.313 178.113 176.870 -0.116 0.000 1.089 525 L CA 1.848 56.478 54.840 -0.349 0.000 0.757 525 L CB 0.129 42.173 42.059 -0.024 0.000 0.899 525 L HN 0.603 nan 8.230 nan 0.000 0.434 526 E N -0.246 119.929 120.200 -0.042 0.000 2.393 526 E HA -0.187 4.165 4.350 0.003 0.000 0.201 526 E C 0.969 177.611 176.600 0.070 0.000 1.025 526 E CA 0.816 57.245 56.400 0.048 0.000 0.856 526 E CB -0.032 29.693 29.700 0.041 0.000 0.771 526 E HN 0.263 nan 8.360 nan 0.000 0.526 527 R N -0.786 119.751 120.500 0.062 0.000 2.522 527 R HA 0.117 4.458 4.340 0.003 0.000 0.314 527 R C 0.338 176.623 176.300 -0.026 0.000 1.178 527 R CA 0.045 56.219 56.100 0.123 0.000 1.294 527 R CB 0.020 30.523 30.300 0.338 0.000 1.345 527 R HN -0.057 nan 8.270 nan 0.000 0.710 528 E N 0.497 120.588 120.200 -0.181 0.000 2.127 528 E HA 0.046 4.398 4.350 0.003 0.000 0.191 528 E C 0.702 176.970 176.600 -0.552 0.000 0.964 528 E CA 1.161 57.328 56.400 -0.387 0.000 0.832 528 E CB 0.338 29.836 29.700 -0.337 0.000 0.790 528 E HN 0.249 nan 8.360 nan 0.000 0.465 529 K N 0.534 120.637 120.400 -0.496 0.000 2.281 529 K HA -0.120 4.202 4.320 0.003 0.000 0.203 529 K C 1.701 178.188 176.600 -0.189 0.000 1.046 529 K CA 1.113 57.092 56.287 -0.512 0.000 0.938 529 K CB 0.029 32.318 32.500 -0.352 0.000 0.737 529 K HN 0.146 nan 8.250 nan 0.000 0.458 530 E N 0.564 120.700 120.200 -0.106 0.000 2.358 530 E HA -0.110 4.242 4.350 0.003 0.000 0.195 530 E C 1.769 178.399 176.600 0.050 0.000 1.010 530 E CA 0.531 56.942 56.400 0.018 0.000 0.856 530 E CB 0.150 29.904 29.700 0.091 0.000 0.795 530 E HN 0.185 nan 8.360 nan 0.000 0.504 531 L N -0.584 120.631 121.223 -0.013 0.000 2.202 531 L HA 0.010 4.352 4.340 0.003 0.000 0.205 531 L C 1.782 178.784 176.870 0.220 0.000 1.083 531 L CA 1.011 55.888 54.840 0.060 0.000 0.790 531 L CB -0.338 41.706 42.059 -0.025 0.000 0.942 531 L HN 0.034 nan 8.230 nan 0.000 0.452 532 W N 0.686 121.994 121.300 0.012 0.000 2.355 532 W HA -0.089 4.572 4.660 0.002 0.000 0.309 532 W C 2.558 179.083 176.519 0.011 0.000 1.206 532 W CA 0.950 58.302 57.345 0.012 0.000 1.284 532 W CB -0.971 28.496 29.460 0.012 0.000 1.145 532 W HN 0.097 nan 8.180 nan 0.000 0.502 533 R N -0.089 120.561 120.500 0.251 0.000 2.323 533 R HA 0.128 4.470 4.340 0.003 0.000 0.198 533 R C 1.931 178.293 176.300 0.105 0.000 0.988 533 R CA 0.729 56.915 56.100 0.143 0.000 1.041 533 R CB -0.260 30.101 30.300 0.102 0.000 0.926 533 R HN 0.052 nan 8.270 nan 0.000 0.476 534 A N 0.038 122.928 122.820 0.117 0.000 2.035 534 A HA 0.139 4.461 4.320 0.003 0.000 0.208 534 A C 1.826 179.458 177.584 0.080 0.000 1.206 534 A CA 0.136 52.226 52.037 0.088 0.000 0.773 534 A CB 0.151 19.207 19.000 0.094 0.000 0.878 534 A HN 0.134 nan 8.150 nan 0.000 0.469 535 I N -0.722 119.908 120.570 0.100 0.000 2.353 535 I HA -0.163 4.009 4.170 0.003 0.000 0.248 535 I C 2.694 178.845 176.117 0.057 0.000 1.119 535 I CA 0.888 62.234 61.300 0.077 0.000 1.417 535 I CB -0.227 37.823 38.000 0.083 0.000 1.078 535 I HN 0.257 nan 8.210 nan 0.000 0.421 536 R N 0.826 121.363 120.500 0.062 0.000 2.081 536 R HA -0.186 4.155 4.340 0.003 0.000 0.235 536 R C 2.221 178.544 176.300 0.038 0.000 1.131 536 R CA 1.296 57.423 56.100 0.044 0.000 0.960 536 R CB -0.187 30.144 30.300 0.052 0.000 0.856 536 R HN 0.185 nan 8.270 nan 0.000 0.436 537 K N 0.519 120.944 120.400 0.042 0.000 2.515 537 K HA -0.050 4.272 4.320 0.003 0.000 0.196 537 K C 1.429 178.043 176.600 0.023 0.000 1.038 537 K CA 0.636 56.941 56.287 0.030 0.000 0.967 537 K CB 0.239 32.757 32.500 0.030 0.000 0.780 537 K HN 0.190 nan 8.250 nan 0.000 0.483 538 L N -1.101 120.139 121.223 0.029 0.000 2.575 538 L HA 0.050 4.391 4.340 0.003 0.000 0.228 538 L C 2.052 178.945 176.870 0.037 0.000 1.075 538 L CA 0.063 54.919 54.840 0.026 0.000 0.867 538 L CB 0.337 42.413 42.059 0.029 0.000 1.097 538 L HN 0.072 nan 8.230 nan 0.000 0.485 539 S N 0.141 115.864 115.700 0.038 0.000 2.356 539 S HA -0.101 4.370 4.470 0.003 0.000 0.219 539 S C 1.604 176.223 174.600 0.032 0.000 1.036 539 S CA 0.829 59.053 58.200 0.041 0.000 0.965 539 S CB 0.062 63.282 63.200 0.033 0.000 0.864 539 S HN 0.459 nan 8.310 nan 0.000 0.471 540 E N 0.652 120.867 120.200 0.024 0.000 2.516 540 E HA -0.050 4.301 4.350 0.003 0.000 0.199 540 E C 1.187 177.798 176.600 0.019 0.000 1.069 540 E CA 0.424 56.836 56.400 0.019 0.000 0.876 540 E CB -0.137 29.573 29.700 0.016 0.000 0.843 540 E HN 0.606 nan 8.360 nan 0.000 0.530 541 E N 0.442 120.655 120.200 0.022 0.000 2.447 541 E HA 0.075 4.427 4.350 0.003 0.000 0.195 541 E C 0.569 177.184 176.600 0.025 0.000 1.028 541 E CA 0.413 56.824 56.400 0.018 0.000 0.876 541 E CB 0.224 29.931 29.700 0.013 0.000 0.885 541 E HN 0.396 nan 8.360 nan 0.000 0.500 542 G N 0.512 109.332 108.800 0.033 0.000 2.167 542 G HA2 -0.184 3.777 3.960 0.003 0.000 0.194 542 G HA3 -0.184 3.777 3.960 0.003 0.000 0.194 542 G C -0.062 174.877 174.900 0.064 0.000 1.027 542 G CA 0.064 45.188 45.100 0.039 0.000 0.717 542 G HN 0.420 nan 8.290 nan 0.000 0.501 543 A N -0.496 122.376 122.820 0.087 0.000 2.299 543 A HA 0.852 5.173 4.320 0.003 0.000 0.332 543 A C -0.581 177.135 177.584 0.218 0.000 1.131 543 A CA -0.780 51.345 52.037 0.147 0.000 0.844 543 A CB 1.282 20.358 19.000 0.127 0.000 1.251 543 A HN 1.292 nan 8.150 nan 0.000 0.486 544 F N 1.578 121.571 119.950 0.071 0.000 2.385 544 F HA 0.647 5.175 4.527 0.003 0.000 0.360 544 F C -0.785 175.104 175.800 0.148 0.000 1.122 544 F CA -1.544 56.461 58.000 0.009 0.000 1.090 544 F CB 0.361 39.279 39.000 -0.137 0.000 1.150 544 F HN 0.316 nan 8.300 nan 0.000 0.472 545 I N 6.012 126.529 120.570 -0.088 0.000 2.607 545 I HA 0.454 4.626 4.170 0.003 0.000 0.305 545 I C -0.925 174.977 176.117 -0.357 0.000 0.995 545 I CA -0.571 60.654 61.300 -0.126 0.000 1.148 545 I CB 1.908 39.903 38.000 -0.008 0.000 1.323 545 I HN 0.460 nan 8.210 nan 0.000 0.461 546 L N 3.749 124.869 121.223 -0.172 0.000 2.504 546 L HA 0.366 4.708 4.340 0.003 0.000 0.265 546 L C -0.740 176.149 176.870 0.031 0.000 0.975 546 L CA -0.236 54.526 54.840 -0.129 0.000 0.864 546 L CB 1.776 43.795 42.059 -0.067 0.000 1.212 546 L HN 0.590 nan 8.230 nan 0.000 0.416 547 S N 2.338 118.053 115.700 0.025 0.000 2.448 547 S HA 0.667 5.139 4.470 0.003 0.000 0.320 547 S C -0.659 173.982 174.600 0.068 0.000 1.071 547 S CA -0.178 58.053 58.200 0.052 0.000 1.113 547 S CB 1.125 64.328 63.200 0.005 0.000 0.972 547 S HN 0.556 nan 8.310 nan 0.000 0.465 548 S N 2.710 118.488 115.700 0.131 0.000 2.564 548 S HA 0.457 4.928 4.470 0.003 0.000 0.274 548 S C 1.001 175.714 174.600 0.189 0.000 1.124 548 S CA -0.690 57.584 58.200 0.123 0.000 0.869 548 S CB 1.760 65.045 63.200 0.143 0.000 1.105 548 S HN 0.713 nan 8.310 nan 0.000 0.472 549 S N 1.814 117.612 115.700 0.163 0.000 2.383 549 S HA -0.131 4.341 4.470 0.003 0.000 0.229 549 S C 1.159 175.868 174.600 0.182 0.000 1.030 549 S CA 1.278 59.603 58.200 0.208 0.000 1.002 549 S CB -0.193 63.082 63.200 0.125 0.000 0.829 549 S HN 0.703 nan 8.310 nan 0.000 0.467 550 Q N -0.057 119.790 119.800 0.078 0.000 2.175 550 Q HA 0.496 4.837 4.340 0.003 0.000 0.225 550 Q C 0.580 176.568 176.000 -0.019 0.000 0.837 550 Q CA -0.155 55.651 55.803 0.006 0.000 1.032 550 Q CB -0.003 28.733 28.738 -0.004 0.000 1.137 550 Q HN 0.326 nan 8.270 nan 0.000 0.483 551 L N -1.801 119.436 121.223 0.023 0.000 3.447 551 L HA -0.329 4.013 4.340 0.003 0.000 0.337 551 L C -0.243 176.663 176.870 0.058 0.000 4.145 551 L CA 1.283 56.149 54.840 0.044 0.000 1.229 551 L CB -0.880 41.171 42.059 -0.013 0.000 3.307 551 L HN 0.300 nan 8.230 nan 0.000 0.751 552 L N 0.264 121.481 121.223 -0.010 0.000 2.476 552 L HA 0.575 4.917 4.340 0.003 0.000 0.269 552 L C 0.048 176.811 176.870 -0.178 0.000 0.965 552 L CA 0.394 55.215 54.840 -0.030 0.000 0.845 552 L CB 1.808 43.947 42.059 0.132 0.000 1.259 552 L HN 0.247 nan 8.230 nan 0.000 0.403 553 T N 0.372 114.632 114.554 -0.490 0.000 2.937 553 T HA 0.435 4.787 4.350 0.003 0.000 0.283 553 T C 0.996 175.674 174.700 -0.037 0.000 1.012 553 T CA -0.541 61.414 62.100 -0.242 0.000 0.997 553 T CB 1.458 70.174 68.868 -0.253 0.000 1.136 553 T HN 0.580 nan 8.240 nan 0.000 0.551 554 R N 0.182 120.689 120.500 0.011 0.000 2.105 554 R HA -0.076 4.265 4.340 0.003 0.000 0.239 554 R C 2.216 178.566 176.300 0.083 0.000 1.135 554 R CA 2.311 58.441 56.100 0.050 0.000 0.967 554 R CB -1.405 28.910 30.300 0.025 0.000 0.861 554 R HN 0.828 nan 8.270 nan 0.000 0.442 555 T N -0.275 114.337 114.554 0.097 0.000 2.777 555 T HA -0.094 4.258 4.350 0.003 0.000 0.266 555 T C 1.234 176.061 174.700 0.212 0.000 1.040 555 T CA 1.600 63.781 62.100 0.135 0.000 1.141 555 T CB -0.369 68.611 68.868 0.187 0.000 0.868 555 T HN 0.368 nan 8.240 nan 0.000 0.444 556 H N 0.673 119.780 119.070 0.063 0.000 2.353 556 H HA 0.053 4.610 4.556 0.003 0.000 0.300 556 H C 2.357 177.817 175.328 0.220 0.000 1.090 556 H CA 0.629 56.734 56.048 0.095 0.000 1.327 556 H CB -0.922 28.969 29.762 0.214 0.000 1.383 556 H HN 0.190 nan 8.280 nan 0.000 0.508 557 V N 0.415 120.579 119.914 0.416 0.000 2.548 557 V HA -0.134 3.987 4.120 0.003 0.000 0.249 557 V C 2.212 178.487 176.094 0.301 0.000 1.055 557 V CA 1.636 64.189 62.300 0.421 0.000 1.065 557 V CB -0.245 31.739 31.823 0.268 0.000 0.681 557 V HN 0.260 nan 8.190 nan 0.000 0.462 558 E N 0.542 120.847 120.200 0.175 0.000 2.170 558 E HA -0.089 4.262 4.350 0.003 0.000 0.191 558 E C 2.197 178.842 176.600 0.075 0.000 0.981 558 E CA 1.259 57.716 56.400 0.095 0.000 0.830 558 E CB -0.240 29.471 29.700 0.017 0.000 0.775 558 E HN 0.626 nan 8.360 nan 0.000 0.470 559 T N -0.175 114.376 114.554 -0.005 0.000 3.067 559 T HA 0.008 4.360 4.350 0.003 0.000 0.261 559 T C 1.129 175.885 174.700 0.092 0.000 1.110 559 T CA 0.304 62.315 62.100 -0.149 0.000 1.113 559 T CB -0.195 68.222 68.868 -0.751 0.000 0.917 559 T HN 0.055 nan 8.240 nan 0.000 0.499 560 F N 1.570 121.669 119.950 0.249 0.000 2.234 560 F HA 0.260 4.789 4.527 0.002 0.000 0.296 560 F C 2.471 178.421 175.800 0.251 0.000 1.089 560 F CA 0.099 58.293 58.000 0.324 0.000 1.343 560 F CB -0.267 38.898 39.000 0.275 0.000 1.040 560 F HN -0.037 nan 8.300 nan 0.000 0.498 561 R N -0.028 120.698 120.500 0.376 0.000 2.148 561 R HA -0.145 4.196 4.340 0.003 0.000 0.227 561 R C 1.840 178.261 176.300 0.201 0.000 1.103 561 R CA 1.024 57.266 56.100 0.237 0.000 0.983 561 R CB -0.123 30.272 30.300 0.159 0.000 0.874 561 R HN 0.101 nan 8.270 nan 0.000 0.451 562 E N -0.845 119.484 120.200 0.216 0.000 2.347 562 E HA -0.134 4.218 4.350 0.003 0.000 0.196 562 E C 0.385 177.053 176.600 0.113 0.000 1.008 562 E CA 0.940 57.419 56.400 0.132 0.000 0.852 562 E CB 0.089 29.850 29.700 0.102 0.000 0.783 562 E HN 0.319 nan 8.360 nan 0.000 0.505 563 Y N -0.993 119.386 120.300 0.132 0.000 2.468 563 Y HA 0.286 4.837 4.550 0.002 0.000 0.268 563 Y C 1.214 177.178 175.900 0.107 0.000 1.177 563 Y CA 0.360 58.535 58.100 0.126 0.000 1.265 563 Y CB 0.859 39.433 38.460 0.191 0.000 1.103 563 Y HN 0.073 nan 8.280 nan 0.000 0.522 564 G N 1.219 110.152 108.800 0.222 0.000 2.272 564 G HA2 -0.267 3.695 3.960 0.003 0.000 0.280 564 G HA3 -0.267 3.695 3.960 0.003 0.000 0.280 564 G C -0.535 174.453 174.900 0.146 0.000 1.067 564 G CA 0.132 45.320 45.100 0.146 0.000 0.902 564 G HN 0.287 nan 8.290 nan 0.000 0.500 565 L N -0.626 120.709 121.223 0.187 0.000 2.401 565 L HA 0.699 5.040 4.340 0.003 0.000 0.266 565 L C 0.259 177.179 176.870 0.083 0.000 0.991 565 L CA -1.197 53.709 54.840 0.110 0.000 0.818 565 L CB 2.268 44.383 42.059 0.095 0.000 1.321 565 L HN 0.333 nan 8.230 nan 0.000 0.413 566 K N 2.657 123.064 120.400 0.011 0.000 2.259 566 K HA 0.720 5.041 4.320 0.003 0.000 0.252 566 K C -1.241 175.324 176.600 -0.058 0.000 0.936 566 K CA -0.656 55.638 56.287 0.010 0.000 0.810 566 K CB 3.095 35.611 32.500 0.026 0.000 1.143 566 K HN 0.547 nan 8.250 nan 0.000 0.427 567 I N 2.019 122.566 120.570 -0.039 0.000 2.433 567 I HA 0.202 4.374 4.170 0.003 0.000 0.292 567 I C -1.222 174.894 176.117 -0.001 0.000 1.001 567 I CA -0.510 60.758 61.300 -0.053 0.000 1.119 567 I CB 1.422 39.382 38.000 -0.066 0.000 1.289 567 I HN 0.868 nan 8.210 nan 0.000 0.438 568 E N 7.751 127.939 120.200 -0.020 0.000 2.279 568 E HA 0.548 4.899 4.350 0.003 0.000 0.252 568 E C -1.384 175.193 176.600 -0.038 0.000 0.894 568 E CA -0.726 55.664 56.400 -0.017 0.000 0.785 568 E CB 1.770 31.460 29.700 -0.018 0.000 1.237 568 E HN 0.388 nan 8.360 nan 0.000 0.418 569 V N -0.438 119.457 119.914 -0.030 0.000 3.160 569 V HA 0.571 4.693 4.120 0.003 0.000 0.310 569 V C -0.636 175.435 176.094 -0.038 0.000 1.181 569 V CA -1.271 60.997 62.300 -0.054 0.000 1.047 569 V CB 2.221 34.003 31.823 -0.069 0.000 1.068 569 V HN 0.638 nan 8.190 nan 0.000 0.441 570 K N 2.058 122.429 120.400 -0.049 0.000 2.423 570 K HA 0.518 4.839 4.320 0.003 0.000 0.234 570 K C -0.873 175.705 176.600 -0.036 0.000 1.051 570 K CA -0.578 55.688 56.287 -0.035 0.000 1.021 570 K CB 0.504 32.982 32.500 -0.036 0.000 1.474 570 K HN 0.771 nan 8.250 nan 0.000 0.474 571 L N 5.385 126.592 121.223 -0.027 0.000 2.562 571 L HA 0.082 4.424 4.340 0.003 0.000 0.271 571 L C -1.929 174.925 176.870 -0.027 0.000 1.167 571 L CA -1.573 53.251 54.840 -0.027 0.000 0.917 571 L CB 0.001 42.048 42.059 -0.019 0.000 1.187 571 L HN 0.348 nan 8.230 nan 0.000 0.482 572 P HA 0.049 nan 4.420 nan 0.000 0.271 572 P C -0.325 176.958 177.300 -0.029 0.000 1.233 572 P CA -0.285 62.805 63.100 -0.017 0.000 0.764 572 P CB 0.489 32.187 31.700 -0.003 0.000 0.825 573 E N 2.688 122.875 120.200 -0.021 0.000 2.415 573 E HA 0.154 4.505 4.350 0.003 0.000 0.260 573 E C -0.145 176.438 176.600 -0.030 0.000 1.016 573 E CA -0.339 56.044 56.400 -0.028 0.000 0.924 573 E CB 0.307 30.001 29.700 -0.010 0.000 0.961 573 E HN 0.252 nan 8.360 nan 0.000 0.459 574 V N 1.860 121.730 119.914 -0.073 0.000 2.881 574 V HA 0.559 4.681 4.120 0.003 0.000 0.316 574 V C 0.100 176.174 176.094 -0.033 0.000 1.070 574 V CA -1.177 61.077 62.300 -0.076 0.000 0.976 574 V CB 1.710 33.377 31.823 -0.260 0.000 1.038 574 V HN 0.580 nan 8.190 nan 0.000 0.446 575 R N 2.071 122.597 120.500 0.044 0.000 2.539 575 R HA 0.273 4.614 4.340 0.003 0.000 0.275 575 R C -1.726 174.634 176.300 0.100 0.000 1.077 575 R CA -1.283 54.868 56.100 0.085 0.000 1.097 575 R CB 0.611 30.991 30.300 0.134 0.000 1.018 575 R HN 0.538 nan 8.270 nan 0.000 0.483 576 P HA -0.210 nan 4.420 nan 0.000 0.218 576 P C -0.215 177.092 177.300 0.012 0.000 1.154 576 P CA 1.521 64.641 63.100 0.033 0.000 0.872 576 P CB 0.225 31.921 31.700 -0.008 0.000 0.790 577 A N -0.195 122.622 122.820 -0.005 0.000 2.366 577 A HA 0.430 4.751 4.320 0.003 0.000 0.322 577 A C -0.145 177.512 177.584 0.121 0.000 1.397 577 A CA -0.228 51.732 52.037 -0.127 0.000 0.984 577 A CB -0.962 17.930 19.000 -0.180 0.000 1.149 577 A HN 0.367 nan 8.150 nan 0.000 0.540 578 H N -0.861 118.226 119.070 0.029 0.000 2.908 578 H HA 0.734 5.291 4.556 0.003 0.000 0.350 578 H C -0.669 174.740 175.328 0.136 0.000 1.217 578 H CA -0.938 55.178 56.048 0.115 0.000 1.168 578 H CB 1.179 30.977 29.762 0.061 0.000 1.891 578 H HN 0.311 nan 8.280 nan 0.000 0.566 579 Q N 1.051 120.864 119.800 0.021 0.000 2.928 579 Q HA 0.306 4.648 4.340 0.003 0.000 0.353 579 Q C -1.300 174.671 176.000 -0.048 0.000 0.870 579 Q CA -0.200 55.505 55.803 -0.162 0.000 0.963 579 Q CB 0.950 29.358 28.738 -0.550 0.000 1.419 579 Q HN 0.579 nan 8.270 nan 0.000 0.396 580 M N 1.342 121.070 119.600 0.213 0.000 2.501 580 M HA 0.649 5.131 4.480 0.003 0.000 0.293 580 M C -1.513 174.916 176.300 0.215 0.000 1.192 580 M CA -0.986 54.452 55.300 0.230 0.000 0.886 580 M CB 2.275 35.035 32.600 0.267 0.000 1.710 580 M HN 0.134 nan 8.290 nan 0.000 0.457 581 V N 1.756 121.748 119.914 0.131 0.000 3.078 581 V HA 0.678 4.800 4.120 0.003 0.000 0.311 581 V C -1.507 174.631 176.094 0.073 0.000 1.138 581 V CA -0.960 61.403 62.300 0.104 0.000 1.007 581 V CB 2.071 33.938 31.823 0.075 0.000 1.045 581 V HN 0.872 nan 8.190 nan 0.000 0.432 582 L N 2.925 124.183 121.223 0.058 0.000 2.272 582 L HA 0.697 5.038 4.340 0.003 0.000 0.289 582 L C -0.574 176.285 176.870 -0.019 0.000 1.032 582 L CA -0.732 54.095 54.840 -0.023 0.000 0.810 582 L CB 1.595 43.633 42.059 -0.036 0.000 1.205 582 L HN 0.525 nan 8.230 nan 0.000 0.422 583 V N 3.544 123.438 119.914 -0.033 0.000 2.398 583 V HA 0.348 4.469 4.120 0.003 0.000 0.286 583 V C -0.450 175.701 176.094 0.094 0.000 1.026 583 V CA -0.268 62.090 62.300 0.098 0.000 0.868 583 V CB 1.507 33.389 31.823 0.099 0.000 0.982 583 V HN 0.407 nan 8.190 nan 0.000 0.443 584 F N 3.583 123.624 119.950 0.152 0.000 2.334 584 F HA 0.451 4.980 4.527 0.002 0.000 0.343 584 F C 0.950 176.875 175.800 0.207 0.000 1.136 584 F CA -0.370 57.752 58.000 0.204 0.000 1.237 584 F CB 0.835 39.970 39.000 0.225 0.000 1.525 584 F HN 0.549 nan 8.300 nan 0.000 0.528 585 S N -0.545 115.370 115.700 0.359 0.000 2.768 585 S HA 0.479 4.951 4.470 0.003 0.000 0.300 585 S C 0.948 175.688 174.600 0.234 0.000 1.122 585 S CA -0.681 57.652 58.200 0.221 0.000 0.995 585 S CB 1.858 65.100 63.200 0.070 0.000 1.195 585 S HN 0.309 nan 8.310 nan 0.000 0.547 586 E N 0.323 120.608 120.200 0.142 0.000 2.057 586 E HA 0.223 4.575 4.350 0.003 0.000 0.190 586 E C 0.640 177.321 176.600 0.135 0.000 0.969 586 E CA 0.719 57.197 56.400 0.129 0.000 0.812 586 E CB 0.047 29.794 29.700 0.078 0.000 0.777 586 E HN 0.516 nan 8.360 nan 0.000 0.455 587 R N -0.018 120.516 120.500 0.058 0.000 2.856 587 R HA 0.307 4.648 4.340 0.003 0.000 0.258 587 R C -0.624 175.574 176.300 -0.170 0.000 1.066 587 R CA -0.388 55.724 56.100 0.019 0.000 1.045 587 R CB 1.373 31.673 30.300 -0.001 0.000 1.178 587 R HN -0.105 nan 8.270 nan 0.000 0.499 588 T N 3.920 118.354 114.554 -0.201 0.000 2.778 588 T HA 0.039 4.390 4.350 0.003 0.000 0.282 588 T C -2.264 172.172 174.700 -0.441 0.000 0.983 588 T CA -0.605 61.198 62.100 -0.494 0.000 1.193 588 T CB 0.083 68.870 68.868 -0.134 0.000 0.938 588 T HN 0.305 nan 8.240 nan 0.000 0.523 589 P HA 0.096 nan 4.420 nan 0.000 0.262 589 P C -0.227 176.969 177.300 -0.174 0.000 1.182 589 P CA -0.252 62.655 63.100 -0.322 0.000 0.761 589 P CB 0.227 31.731 31.700 -0.327 0.000 0.795 590 V N 3.280 123.131 119.914 -0.104 0.000 2.258 590 V HA 0.472 4.594 4.120 0.003 0.000 0.258 590 V C 0.176 176.252 176.094 -0.030 0.000 1.121 590 V CA -0.595 61.671 62.300 -0.057 0.000 0.942 590 V CB 0.114 31.912 31.823 -0.042 0.000 1.170 590 V HN 0.322 nan 8.190 nan 0.000 0.487 591 V N 0.603 120.506 119.914 -0.018 0.000 3.181 591 V HA 0.657 4.779 4.120 0.003 0.000 0.308 591 V C -0.657 175.450 176.094 0.023 0.000 1.214 591 V CA -0.965 61.341 62.300 0.010 0.000 1.053 591 V CB 2.270 34.107 31.823 0.024 0.000 1.069 591 V HN 0.547 nan 8.190 nan 0.000 0.441 592 D N 0.872 121.296 120.400 0.039 0.000 3.110 592 D HA 0.612 5.254 4.640 0.003 0.000 0.254 592 D C -0.543 175.805 176.300 0.079 0.000 1.283 592 D CA 0.220 54.246 54.000 0.043 0.000 0.944 592 D CB 1.051 41.873 40.800 0.037 0.000 1.066 592 D HN 0.495 nan 8.370 nan 0.000 0.496 593 V N 0.828 120.798 119.914 0.093 0.000 3.108 593 V HA 0.252 4.373 4.120 0.003 0.000 0.287 593 V C -2.423 173.756 176.094 0.142 0.000 1.436 593 V CA -2.059 60.342 62.300 0.168 0.000 1.001 593 V CB 2.665 34.622 31.823 0.224 0.000 1.141 593 V HN 0.053 nan 8.190 nan 0.000 0.443 594 P HA 0.085 nan 4.420 nan 0.000 0.256 594 P C -1.076 176.299 177.300 0.124 0.000 1.173 594 P CA 0.439 63.619 63.100 0.133 0.000 0.768 594 P CB 0.135 31.935 31.700 0.166 0.000 0.758 595 V N 5.509 125.478 119.914 0.092 0.000 2.304 595 V HA 0.294 4.416 4.120 0.003 0.000 0.278 595 V C 0.199 176.376 176.094 0.140 0.000 1.018 595 V CA -0.416 61.944 62.300 0.100 0.000 0.814 595 V CB 1.135 32.978 31.823 0.034 0.000 1.021 595 V HN 0.379 nan 8.190 nan 0.000 0.440 596 K N 2.712 123.208 120.400 0.160 0.000 2.244 596 K HA 0.464 4.786 4.320 0.003 0.000 0.260 596 K C -0.237 176.451 176.600 0.147 0.000 0.951 596 K CA -0.507 55.861 56.287 0.134 0.000 0.826 596 K CB 2.325 34.868 32.500 0.072 0.000 1.108 596 K HN 0.697 nan 8.250 nan 0.000 0.433 597 E N 3.844 124.094 120.200 0.083 0.000 2.217 597 E HA 0.065 4.417 4.350 0.003 0.000 0.279 597 E C 0.264 176.730 176.600 -0.224 0.000 1.068 597 E CA -0.091 56.175 56.400 -0.224 0.000 0.882 597 E CB 0.374 29.952 29.700 -0.203 0.000 1.039 597 E HN 0.648 nan 8.360 nan 0.000 0.418 598 I N 1.255 121.650 120.570 -0.292 0.000 4.139 598 I HA 0.520 4.692 4.170 0.003 0.000 0.335 598 I C 0.725 176.720 176.117 -0.203 0.000 1.327 598 I CA -0.204 60.980 61.300 -0.193 0.000 1.112 598 I CB 0.791 38.706 38.000 -0.143 0.000 1.058 598 I HN 0.545 nan 8.210 nan 0.000 0.396 599 G N 1.159 109.790 108.800 -0.282 0.000 2.399 599 G HA2 0.423 4.385 3.960 0.003 0.000 0.256 599 G HA3 0.423 4.385 3.960 0.003 0.000 0.256 599 G C -0.964 173.799 174.900 -0.229 0.000 1.236 599 G CA 0.139 45.113 45.100 -0.210 0.000 0.914 599 G HN 0.309 nan 8.290 nan 0.000 0.482 600 T N -2.357 112.108 114.554 -0.149 0.000 2.841 600 T HA 0.704 5.056 4.350 0.003 0.000 0.296 600 T C -1.638 173.026 174.700 -0.061 0.000 1.166 600 T CA -0.618 61.419 62.100 -0.104 0.000 1.007 600 T CB 2.221 71.047 68.868 -0.070 0.000 1.253 600 T HN 1.344 nan 8.240 nan 0.000 0.511 601 L N 2.504 123.714 121.223 -0.022 0.000 2.485 601 L HA 0.640 4.982 4.340 0.003 0.000 0.260 601 L C 0.004 176.860 176.870 -0.024 0.000 0.998 601 L CA 0.046 54.861 54.840 -0.041 0.000 0.883 601 L CB 1.170 43.231 42.059 0.003 0.000 1.196 601 L HN 1.108 nan 8.230 nan 0.000 0.443 602 S N 3.369 119.054 115.700 -0.025 0.000 2.753 602 S HA 0.801 5.273 4.470 0.003 0.000 0.302 602 S C 0.147 174.751 174.600 0.007 0.000 1.104 602 S CA -0.740 57.457 58.200 -0.004 0.000 0.968 602 S CB 1.398 64.597 63.200 -0.003 0.000 1.278 602 S HN 0.638 nan 8.310 nan 0.000 0.549 603 R N 0.000 120.509 120.500 0.016 0.000 2.786 603 R HA 0.000 4.342 4.340 0.003 0.000 0.208 603 R CA 0.000 56.115 56.100 0.025 0.000 0.921 603 R CB 0.000 30.315 30.300 0.025 0.000 0.687 603 R HN 0.000 nan 8.270 nan 0.000 0.535