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 1h3g_1_A DATA FIRST_RESID 3 DATA SEQUENCE PTAIEHXEPP FWWAGXQHKG LQLXVHGRDI GRXEAALDYP GVRLVSTTRV DATA SEQUENCE PNANYLFVDL EIGPEAQPGS FDIVFKGDGR SERYRYRLLA REQGSAQRQG DATA SEQUENCE FGPGDAIYQI XPDRFANGDP SNDNVAGXRE QADRRHGGGR HGGDIRGTID DATA SEQUENCE HLDYIAGLGF TQLWPTPLVE NDAAAYSYHG YAATDHYRID PRYGSNEDFV DATA SEQUENCE RLSTEARKRG XGLIQDVVLS HIGKHHWWXK DLPTPDWINY GGKFVPTQHH DATA SEQUENCE RVAVQDPYAA QADSENFTKG WFVEGXPDLN QTNPLVANYL IQNNIWWIEY DATA SEQUENCE AGLSGLRIDT YGYSDGAFLT EYTRRLXAEY PRLNXVGEEW STRVPVVARW DATA SEQUENCE QRGKANFDGY TSHLPSLXDF PLVDAXRNAL SKTGEENGLN EVYETLSLDY DATA SEQUENCE LYPEPQNLVL FGGNHDXARX FSAAGEDFDR WRXNLVFLXT XPRIPQFYSG DATA SEQUENCE DEILXTSTVK GRDDASYRRD FPGGWAGDKA NAFSGAGLTS QQRAAQDLVR DATA SEQUENCE KLANWRKNQP VIHNGRLXHF GPEENTWVYF RYNKDKRIXV AXNNNDKPXT DATA SEQUENCE LPTARFQEXL KGAPSGVDFL SGKTVGLGRE LRLAPKSVVV IELPGLPE 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 3 P HA 0.000 nan 4.420 nan 0.000 0.216 3 P C 0.000 177.172 177.300 -0.213 0.000 1.155 3 P CA 0.000 62.988 63.100 -0.187 0.000 0.800 3 P CB 0.000 31.513 31.700 -0.311 0.000 0.726 4 T N 0.545 114.976 114.554 -0.204 0.000 2.701 4 T HA 0.154 4.503 4.350 -0.001 0.000 0.354 4 T C 1.723 176.281 174.700 -0.236 0.000 1.085 4 T CA 1.026 63.013 62.100 -0.189 0.000 1.094 4 T CB 0.147 68.912 68.868 -0.171 0.000 1.010 4 T HN 0.541 nan 8.240 nan 0.000 0.548 5 A N 2.398 125.103 122.820 -0.191 0.000 1.978 5 A HA 0.126 4.446 4.320 -0.001 0.000 0.220 5 A C 1.060 178.465 177.584 -0.299 0.000 1.170 5 A CA 1.260 53.168 52.037 -0.214 0.000 0.636 5 A CB -0.324 18.586 19.000 -0.151 0.000 0.810 5 A HN 0.717 nan 8.150 nan 0.000 0.448 6 I N -1.047 119.356 120.570 -0.277 0.000 2.542 6 I HA 0.198 4.368 4.170 -0.001 0.000 0.278 6 I C 0.321 176.245 176.117 -0.323 0.000 1.069 6 I CA -0.186 60.907 61.300 -0.346 0.000 1.100 6 I CB 1.813 39.631 38.000 -0.303 0.000 1.204 6 I HN 0.111 nan 8.210 nan 0.000 0.470 7 E N 3.818 123.764 120.200 -0.422 0.000 2.276 7 E HA 0.158 4.508 4.350 -0.001 0.000 0.193 7 E C 0.169 176.371 176.600 -0.662 0.000 0.983 7 E CA 1.387 57.492 56.400 -0.492 0.000 0.861 7 E CB 0.514 29.895 29.700 -0.531 0.000 0.817 7 E HN 0.501 nan 8.360 nan 0.000 0.485 11 P HA 0.134 nan 4.420 nan 0.000 0.274 11 P C -1.988 175.029 177.300 -0.471 0.000 1.231 11 P CA -1.246 61.418 63.100 -0.726 0.000 0.790 11 P CB 0.790 32.369 31.700 -0.202 0.000 0.951 12 P HA -0.040 nan 4.420 nan 0.000 0.223 12 P C -0.017 177.134 177.300 -0.249 0.000 1.151 12 P CA 1.299 64.169 63.100 -0.383 0.000 0.787 12 P CB -0.107 31.332 31.700 -0.434 0.000 0.788 13 F N -5.036 114.809 119.950 -0.175 0.000 2.807 13 F HA 0.656 5.182 4.527 -0.001 0.000 0.316 13 F C -1.092 174.718 175.800 0.016 0.000 1.162 13 F CA -1.731 55.951 58.000 -0.529 0.000 0.910 13 F CB 0.405 39.091 39.000 -0.524 0.000 1.314 13 F HN -0.157 nan 8.300 nan 0.000 0.454 14 W N 0.638 121.865 121.300 -0.123 0.000 3.307 14 W HA 0.570 5.230 4.660 -0.001 0.000 0.376 14 W C -1.872 174.497 176.519 -0.251 0.000 1.113 14 W CA -0.937 56.390 57.345 -0.030 0.000 1.087 14 W CB 2.015 31.718 29.460 0.406 0.000 1.511 14 W HN 0.585 nan 8.180 nan 0.000 0.604 15 W N 1.283 122.580 121.300 -0.005 0.000 2.864 15 W HA 0.553 5.212 4.660 -0.002 0.000 0.343 15 W C -0.206 176.388 176.519 0.125 0.000 1.109 15 W CA -0.877 56.471 57.345 0.006 0.000 1.192 15 W CB 1.434 30.789 29.460 -0.175 0.000 1.426 15 W HN 0.362 nan 8.180 nan 0.000 0.529 16 A N 1.352 124.387 122.820 0.357 0.000 2.351 16 A HA 0.687 5.007 4.320 -0.001 0.000 0.257 16 A C 0.599 178.327 177.584 0.240 0.000 1.087 16 A CA 1.033 53.248 52.037 0.297 0.000 0.798 16 A CB -0.157 18.988 19.000 0.243 0.000 1.033 16 A HN 1.340 nan 8.150 nan 0.000 0.488 20 H N 2.349 121.458 119.070 0.064 0.000 2.690 20 H HA 0.294 4.849 4.556 -0.001 0.000 0.314 20 H C 0.618 176.045 175.328 0.165 0.000 1.069 20 H CA 0.104 56.210 56.048 0.096 0.000 1.436 20 H CB 0.925 30.747 29.762 0.100 0.000 1.462 20 H HN 0.038 nan 8.280 nan 0.000 0.511 21 K N 3.438 123.790 120.400 -0.080 0.000 2.116 21 K HA 0.048 4.368 4.320 -0.001 0.000 0.203 21 K C 1.050 177.711 176.600 0.101 0.000 1.052 21 K CA 0.687 57.002 56.287 0.046 0.000 0.952 21 K CB -0.131 32.354 32.500 -0.025 0.000 0.729 21 K HN 0.719 nan 8.250 nan 0.000 0.446 22 G N 2.168 110.962 108.800 -0.010 0.000 2.441 22 G HA2 0.306 4.265 3.960 -0.001 0.000 0.243 22 G HA3 0.306 4.265 3.960 -0.001 0.000 0.243 22 G C -0.870 174.143 174.900 0.189 0.000 1.281 22 G CA -0.271 44.899 45.100 0.117 0.000 0.854 22 G HN 0.117 nan 8.290 nan 0.000 0.560 23 L N 0.825 122.059 121.223 0.017 0.000 2.438 23 L HA 0.507 4.846 4.340 -0.001 0.000 0.270 23 L C -0.457 176.347 176.870 -0.110 0.000 0.972 23 L CA -0.755 53.972 54.840 -0.189 0.000 0.831 23 L CB 2.312 44.159 42.059 -0.354 0.000 1.273 23 L HN 0.605 nan 8.230 nan 0.000 0.405 24 Q N 4.862 124.604 119.800 -0.097 0.000 2.394 24 Q HA 0.567 4.906 4.340 -0.001 0.000 0.259 24 Q C -1.341 174.675 176.000 0.026 0.000 1.021 24 Q CA -0.523 55.291 55.803 0.019 0.000 0.805 24 Q CB 1.047 29.846 28.738 0.102 0.000 1.226 24 Q HN 0.809 nan 8.270 nan 0.000 0.476 28 H N 2.472 121.421 119.070 -0.201 0.000 2.529 28 H HA 0.843 5.398 4.556 -0.002 0.000 0.348 28 H C -0.218 174.898 175.328 -0.353 0.000 1.079 28 H CA 0.229 56.070 56.048 -0.345 0.000 1.198 28 H CB 2.283 31.972 29.762 -0.123 0.000 1.521 28 H HN 1.125 nan 8.280 nan 0.000 0.514 29 G N 3.718 112.047 108.800 -0.784 0.000 2.411 29 G HA2 0.095 4.054 3.960 -0.001 0.000 0.295 29 G HA3 0.095 4.054 3.960 -0.001 0.000 0.295 29 G C -1.413 173.202 174.900 -0.474 0.000 1.542 29 G CA -1.178 43.525 45.100 -0.661 0.000 0.814 29 G HN 0.730 nan 8.290 nan 0.000 0.557 30 R N 1.242 121.526 120.500 -0.361 0.000 2.488 30 R HA 0.210 4.549 4.340 -0.001 0.000 0.317 30 R C 0.129 176.322 176.300 -0.178 0.000 0.941 30 R CA 1.062 57.027 56.100 -0.225 0.000 1.076 30 R CB -0.167 30.033 30.300 -0.167 0.000 0.917 30 R HN 0.577 nan 8.270 nan 0.000 0.407 31 D N 3.109 123.429 120.400 -0.133 0.000 2.955 31 D HA -0.268 4.371 4.640 -0.001 0.000 0.226 31 D C 0.816 177.055 176.300 -0.102 0.000 1.178 31 D CA 1.132 55.080 54.000 -0.087 0.000 0.808 31 D CB -0.749 40.016 40.800 -0.058 0.000 1.099 31 D HN 0.576 nan 8.370 nan 0.000 0.421 32 I N 0.547 121.014 120.570 -0.172 0.000 2.454 32 I HA -0.094 4.075 4.170 -0.001 0.000 0.254 32 I C 2.370 178.438 176.117 -0.080 0.000 1.156 32 I CA 2.105 63.285 61.300 -0.200 0.000 1.433 32 I CB -0.177 37.617 38.000 -0.344 0.000 1.082 32 I HN 0.174 nan 8.210 nan 0.000 0.432 33 G N 0.493 109.268 108.800 -0.040 0.000 2.559 33 G HA2 -0.119 3.840 3.960 -0.001 0.000 0.216 33 G HA3 -0.119 3.840 3.960 -0.001 0.000 0.216 33 G C 1.152 176.080 174.900 0.047 0.000 1.126 33 G CA 0.091 45.211 45.100 0.032 0.000 0.778 33 G HN 0.323 nan 8.290 nan 0.000 0.543 37 A N 1.620 124.405 122.820 -0.059 0.000 2.330 37 A HA 1.032 5.351 4.320 -0.001 0.000 0.329 37 A C -0.727 176.734 177.584 -0.204 0.000 1.135 37 A CA -0.004 51.860 52.037 -0.289 0.000 0.817 37 A CB 1.656 20.435 19.000 -0.369 0.000 1.269 37 A HN 1.179 nan 8.150 nan 0.000 0.469 38 A N -0.032 122.636 122.820 -0.253 0.000 2.610 38 A HA 0.804 5.123 4.320 -0.001 0.000 0.291 38 A C -1.271 176.241 177.584 -0.120 0.000 1.086 38 A CA -0.038 51.917 52.037 -0.138 0.000 0.677 38 A CB 0.990 19.940 19.000 -0.084 0.000 1.278 38 A HN 2.394 nan 8.150 nan 0.000 0.414 39 L N -1.911 119.272 121.223 -0.067 0.000 2.775 39 L HA 0.953 5.292 4.340 -0.001 0.000 0.263 39 L C -1.385 175.464 176.870 -0.035 0.000 1.017 39 L CA -0.449 54.379 54.840 -0.021 0.000 0.891 39 L CB 2.042 44.086 42.059 -0.025 0.000 1.482 39 L HN 0.587 nan 8.230 nan 0.000 0.410 40 D N 0.171 120.572 120.400 0.003 0.000 2.479 40 D HA 0.601 5.240 4.640 -0.001 0.000 0.246 40 D C -2.104 174.234 176.300 0.064 0.000 1.336 40 D CA 0.128 54.131 54.000 0.005 0.000 0.967 40 D CB 1.129 41.943 40.800 0.024 0.000 1.275 40 D HN 0.725 nan 8.370 nan 0.000 0.577 41 Y N 2.934 123.116 120.300 -0.196 0.000 2.480 41 Y HA 0.436 4.985 4.550 -0.001 0.000 0.329 41 Y C -2.712 173.099 175.900 -0.149 0.000 1.127 41 Y CA -1.999 55.988 58.100 -0.189 0.000 1.037 41 Y CB 1.944 40.127 38.460 -0.462 0.000 1.320 41 Y HN 0.214 nan 8.280 nan 0.000 0.446 42 P HA 0.295 nan 4.420 nan 0.000 0.266 42 P C 0.426 177.596 177.300 -0.216 0.000 1.215 42 P CA 1.770 64.678 63.100 -0.321 0.000 0.763 42 P CB 0.688 32.178 31.700 -0.351 0.000 0.806 43 G N 1.517 110.271 108.800 -0.077 0.000 2.175 43 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.244 43 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.244 43 G C -0.111 174.821 174.900 0.053 0.000 0.982 43 G CA -0.192 44.910 45.100 0.003 0.000 0.641 43 G HN 0.535 nan 8.290 nan 0.000 0.527 44 V N 0.679 120.612 119.914 0.030 0.000 2.540 44 V HA 0.752 4.871 4.120 -0.001 0.000 0.302 44 V C 0.282 176.342 176.094 -0.057 0.000 1.035 44 V CA -0.845 61.455 62.300 -0.000 0.000 0.873 44 V CB 1.821 33.594 31.823 -0.083 0.000 0.992 44 V HN 0.452 nan 8.190 nan 0.000 0.428 45 R N 3.935 124.412 120.500 -0.038 0.000 2.599 45 R HA 0.532 4.871 4.340 -0.001 0.000 0.295 45 R C -1.306 174.968 176.300 -0.043 0.000 0.963 45 R CA -0.837 55.237 56.100 -0.042 0.000 0.883 45 R CB 1.532 31.818 30.300 -0.023 0.000 1.171 45 R HN 0.572 nan 8.270 nan 0.000 0.450 46 L N 6.767 127.960 121.223 -0.051 0.000 2.342 46 L HA 0.137 4.476 4.340 -0.001 0.000 0.285 46 L C 0.360 177.216 176.870 -0.023 0.000 1.095 46 L CA 0.581 55.395 54.840 -0.043 0.000 0.843 46 L CB 1.139 43.165 42.059 -0.055 0.000 1.201 46 L HN 0.694 nan 8.230 nan 0.000 0.445 47 V N 4.110 124.017 119.914 -0.011 0.000 2.379 47 V HA 0.036 4.155 4.120 -0.001 0.000 0.243 47 V C 1.062 177.160 176.094 0.006 0.000 1.035 47 V CA 1.360 63.659 62.300 -0.001 0.000 1.035 47 V CB -0.047 31.780 31.823 0.006 0.000 0.673 47 V HN 0.972 nan 8.190 nan 0.000 0.457 48 S N -1.264 114.444 115.700 0.015 0.000 2.643 48 S HA 0.509 4.979 4.470 -0.001 0.000 0.266 48 S C -0.707 173.922 174.600 0.047 0.000 1.130 48 S CA -0.053 58.163 58.200 0.027 0.000 0.817 48 S CB 1.943 65.161 63.200 0.030 0.000 1.107 48 S HN 0.519 nan 8.310 nan 0.000 0.471 49 T N -1.050 113.542 114.554 0.063 0.000 2.912 49 T HA 0.776 5.125 4.350 -0.001 0.000 0.299 49 T C -0.893 173.880 174.700 0.121 0.000 1.052 49 T CA -0.574 61.588 62.100 0.103 0.000 0.996 49 T CB 1.693 70.620 68.868 0.098 0.000 1.070 49 T HN 0.762 nan 8.240 nan 0.000 0.465 50 T N 2.432 117.097 114.554 0.185 0.000 2.841 50 T HA 0.712 5.061 4.350 -0.001 0.000 0.283 50 T C -0.208 174.647 174.700 0.258 0.000 1.000 50 T CA -0.910 61.298 62.100 0.180 0.000 0.977 50 T CB 1.306 70.254 68.868 0.133 0.000 0.979 50 T HN 0.941 nan 8.240 nan 0.000 0.446 51 R N 0.942 121.552 120.500 0.183 0.000 2.803 51 R HA 0.878 5.217 4.340 -0.001 0.000 0.276 51 R C -0.791 175.604 176.300 0.157 0.000 0.978 51 R CA -0.837 55.376 56.100 0.189 0.000 0.939 51 R CB 1.254 31.630 30.300 0.127 0.000 1.179 51 R HN 0.466 nan 8.270 nan 0.000 0.472 52 V N -1.496 118.520 119.914 0.170 0.000 3.158 52 V HA 0.567 4.686 4.120 -0.001 0.000 0.315 52 V C -2.126 174.024 176.094 0.093 0.000 1.148 52 V CA -2.196 60.175 62.300 0.118 0.000 1.042 52 V CB 1.595 33.495 31.823 0.129 0.000 1.101 52 V HN 0.681 nan 8.190 nan 0.000 0.448 53 P HA -0.108 nan 4.420 nan 0.000 0.216 53 P C 0.403 177.745 177.300 0.070 0.000 1.150 53 P CA 1.239 64.372 63.100 0.055 0.000 0.843 53 P CB -0.086 31.637 31.700 0.038 0.000 0.787 54 N N 0.220 118.973 118.700 0.088 0.000 2.399 54 N HA 0.105 4.844 4.740 -0.001 0.000 0.259 54 N C 0.802 176.408 175.510 0.160 0.000 1.160 54 N CA 0.123 53.252 53.050 0.131 0.000 0.946 54 N CB 0.467 39.061 38.487 0.177 0.000 1.156 54 N HN -0.102 nan 8.380 nan 0.000 0.489 55 A N 3.912 126.793 122.820 0.102 0.000 2.248 55 A HA -0.054 4.265 4.320 -0.001 0.000 0.210 55 A C 1.149 178.747 177.584 0.024 0.000 1.174 55 A CA 0.509 52.585 52.037 0.065 0.000 0.750 55 A CB -0.156 18.864 19.000 0.033 0.000 0.780 55 A HN 0.657 nan 8.150 nan 0.000 0.478 56 N N -1.005 117.715 118.700 0.034 0.000 2.322 56 N HA 0.162 4.902 4.740 -0.001 0.000 0.194 56 N C -1.081 174.208 175.510 -0.368 0.000 1.126 56 N CA 0.426 53.380 53.050 -0.161 0.000 0.845 56 N CB -0.052 38.344 38.487 -0.152 0.000 0.976 56 N HN 0.560 nan 8.380 nan 0.000 0.475 57 Y N -0.463 119.831 120.300 -0.011 0.000 2.512 57 Y HA 0.577 5.126 4.550 -0.001 0.000 0.348 57 Y C -0.590 175.216 175.900 -0.157 0.000 0.990 57 Y CA -1.152 56.878 58.100 -0.117 0.000 1.033 57 Y CB 2.079 40.428 38.460 -0.185 0.000 1.259 57 Y HN -0.226 nan 8.280 nan 0.000 0.461 58 L N 2.891 124.024 121.223 -0.149 0.000 2.493 58 L HA 0.621 4.960 4.340 -0.001 0.000 0.265 58 L C -2.157 174.548 176.870 -0.274 0.000 0.954 58 L CA -0.665 54.125 54.840 -0.084 0.000 0.844 58 L CB 1.119 43.185 42.059 0.011 0.000 1.302 58 L HN 0.435 nan 8.230 nan 0.000 0.405 59 F N 4.755 124.779 119.950 0.124 0.000 2.411 59 F HA 0.644 5.170 4.527 -0.001 0.000 0.352 59 F C -0.045 175.805 175.800 0.084 0.000 1.123 59 F CA -0.767 57.297 58.000 0.107 0.000 1.044 59 F CB 1.793 40.851 39.000 0.096 0.000 1.135 59 F HN 0.087 nan 8.300 nan 0.000 0.461 60 V N 2.906 122.931 119.914 0.185 0.000 2.409 60 V HA 0.295 4.415 4.120 -0.001 0.000 0.291 60 V C -0.900 175.236 176.094 0.071 0.000 1.020 60 V CA -0.897 61.467 62.300 0.106 0.000 0.848 60 V CB 1.584 33.442 31.823 0.059 0.000 0.990 60 V HN 0.578 nan 8.190 nan 0.000 0.430 61 D N 4.894 125.330 120.400 0.060 0.000 2.329 61 D HA 0.621 5.261 4.640 -0.001 0.000 0.232 61 D C -0.668 175.637 176.300 0.008 0.000 1.088 61 D CA -0.177 53.846 54.000 0.039 0.000 0.835 61 D CB 1.486 42.317 40.800 0.051 0.000 1.078 61 D HN 0.228 nan 8.370 nan 0.000 0.495 62 L N 1.956 123.173 121.223 -0.009 0.000 2.330 62 L HA 0.515 4.854 4.340 -0.001 0.000 0.271 62 L C 0.003 176.880 176.870 0.011 0.000 1.013 62 L CA -0.945 53.888 54.840 -0.012 0.000 0.816 62 L CB 1.588 43.633 42.059 -0.023 0.000 1.287 62 L HN 0.293 nan 8.230 nan 0.000 0.435 63 E N 2.032 122.241 120.200 0.015 0.000 2.155 63 E HA 0.535 4.884 4.350 -0.001 0.000 0.264 63 E C -1.414 175.220 176.600 0.058 0.000 0.886 63 E CA -0.216 56.201 56.400 0.028 0.000 0.752 63 E CB 0.858 30.561 29.700 0.006 0.000 1.133 63 E HN 0.485 nan 8.360 nan 0.000 0.414 64 I N 4.724 125.360 120.570 0.110 0.000 2.307 64 I HA 0.397 4.566 4.170 -0.001 0.000 0.289 64 I C 0.886 177.085 176.117 0.137 0.000 1.021 64 I CA -0.773 60.625 61.300 0.164 0.000 1.224 64 I CB 1.391 39.561 38.000 0.283 0.000 1.376 64 I HN 0.623 nan 8.210 nan 0.000 0.470 65 G N 6.335 115.196 108.800 0.102 0.000 2.599 65 G HA2 0.265 4.225 3.960 -0.001 0.000 0.264 65 G HA3 0.265 4.225 3.960 -0.001 0.000 0.264 65 G C -1.901 173.054 174.900 0.092 0.000 1.200 65 G CA -1.058 44.086 45.100 0.074 0.000 0.896 65 G HN 0.389 nan 8.290 nan 0.000 0.536 66 P HA -0.059 nan 4.420 nan 0.000 0.220 66 P C 1.584 178.925 177.300 0.067 0.000 1.148 66 P CA 1.014 64.155 63.100 0.068 0.000 0.803 66 P CB 0.281 32.007 31.700 0.043 0.000 0.782 67 E N 0.122 120.354 120.200 0.053 0.000 2.358 67 E HA 0.016 4.365 4.350 -0.001 0.000 0.195 67 E C 0.838 177.471 176.600 0.056 0.000 1.010 67 E CA 0.218 56.641 56.400 0.039 0.000 0.856 67 E CB -1.395 28.313 29.700 0.013 0.000 0.795 67 E HN 0.059 nan 8.360 nan 0.000 0.504 68 A N 1.269 124.148 122.820 0.097 0.000 2.567 68 A HA 0.078 4.397 4.320 -0.001 0.000 0.240 68 A C 0.079 177.778 177.584 0.192 0.000 1.053 68 A CA 0.153 52.291 52.037 0.168 0.000 0.755 68 A CB -0.018 19.130 19.000 0.247 0.000 0.978 68 A HN 0.176 nan 8.150 nan 0.000 0.507 69 Q N 1.536 121.470 119.800 0.223 0.000 2.248 69 Q HA 0.547 4.886 4.340 -0.001 0.000 0.263 69 Q C -2.548 173.639 176.000 0.312 0.000 1.007 69 Q CA -1.793 54.135 55.803 0.208 0.000 0.877 69 Q CB 1.317 30.131 28.738 0.126 0.000 1.315 69 Q HN 0.504 nan 8.270 nan 0.000 0.454 70 P HA 0.294 nan 4.420 nan 0.000 0.265 70 P C -0.671 176.766 177.300 0.227 0.000 1.193 70 P CA 0.354 63.569 63.100 0.192 0.000 0.765 70 P CB 0.713 32.487 31.700 0.123 0.000 0.823 71 G N 0.845 109.759 108.800 0.190 0.000 2.336 71 G HA2 0.475 4.434 3.960 -0.001 0.000 0.286 71 G HA3 0.475 4.434 3.960 -0.001 0.000 0.286 71 G C -1.465 173.449 174.900 0.022 0.000 1.269 71 G CA -0.157 45.058 45.100 0.191 0.000 0.873 71 G HN 0.662 nan 8.290 nan 0.000 0.494 72 S N -1.198 114.513 115.700 0.019 0.000 2.588 72 S HA 0.932 5.401 4.470 -0.001 0.000 0.275 72 S C -1.019 173.554 174.600 -0.046 0.000 1.130 72 S CA -0.467 57.630 58.200 -0.171 0.000 0.855 72 S CB 2.114 65.216 63.200 -0.162 0.000 1.116 72 S HN 2.078 nan 8.310 nan 0.000 0.472 73 F N -1.276 118.592 119.950 -0.138 0.000 2.654 73 F HA 0.694 5.221 4.527 -0.001 0.000 0.308 73 F C -1.208 174.611 175.800 0.030 0.000 1.108 73 F CA -1.033 56.946 58.000 -0.036 0.000 0.957 73 F CB 0.514 39.459 39.000 -0.092 0.000 1.309 73 F HN 0.405 nan 8.300 nan 0.000 0.446 74 D N 2.241 122.778 120.400 0.229 0.000 2.350 74 D HA 0.417 5.056 4.640 -0.001 0.000 0.249 74 D C -0.233 176.225 176.300 0.263 0.000 1.119 74 D CA 0.254 54.352 54.000 0.164 0.000 0.886 74 D CB 1.623 42.496 40.800 0.121 0.000 1.195 74 D HN 0.546 nan 8.370 nan 0.000 0.437 75 I N 2.143 122.839 120.570 0.210 0.000 2.336 75 I HA 0.171 4.340 4.170 -0.001 0.000 0.292 75 I C 0.126 176.220 176.117 -0.040 0.000 0.991 75 I CA -0.913 60.433 61.300 0.076 0.000 1.227 75 I CB 1.704 39.732 38.000 0.047 0.000 1.366 75 I HN -0.004 nan 8.210 nan 0.000 0.466 76 V N 6.886 126.693 119.914 -0.178 0.000 2.459 76 V HA 0.570 4.689 4.120 -0.001 0.000 0.295 76 V C -1.109 174.807 176.094 -0.297 0.000 1.029 76 V CA -0.292 61.954 62.300 -0.090 0.000 0.874 76 V CB 1.411 33.243 31.823 0.014 0.000 0.985 76 V HN 0.456 nan 8.190 nan 0.000 0.438 77 F N 4.737 124.710 119.950 0.039 0.000 2.469 77 F HA 0.847 5.373 4.527 -0.002 0.000 0.332 77 F C 0.215 176.025 175.800 0.016 0.000 1.103 77 F CA -0.608 57.404 58.000 0.021 0.000 0.979 77 F CB 2.067 41.071 39.000 0.007 0.000 1.137 77 F HN 0.387 nan 8.300 nan 0.000 0.463 78 K N 1.018 121.515 120.400 0.161 0.000 2.464 78 K HA 0.857 5.176 4.320 -0.001 0.000 0.253 78 K C -0.297 176.353 176.600 0.083 0.000 0.933 78 K CA -0.455 55.889 56.287 0.095 0.000 0.801 78 K CB 2.161 34.692 32.500 0.052 0.000 1.271 78 K HN 0.893 nan 8.250 nan 0.000 0.430 79 G N 1.186 110.022 108.800 0.060 0.000 2.347 79 G HA2 0.155 4.114 3.960 -0.001 0.000 0.341 79 G HA3 0.155 4.114 3.960 -0.001 0.000 0.341 79 G C -0.985 173.935 174.900 0.033 0.000 1.287 79 G CA -0.044 45.084 45.100 0.045 0.000 0.984 79 G HN 0.691 nan 8.290 nan 0.000 0.526 80 D N -1.323 119.092 120.400 0.025 0.000 2.860 80 D HA 0.192 4.831 4.640 -0.001 0.000 0.229 80 D C 1.704 178.011 176.300 0.011 0.000 1.169 80 D CA 3.545 57.553 54.000 0.014 0.000 0.737 80 D CB -1.069 39.735 40.800 0.007 0.000 1.080 80 D HN 2.587 nan 8.370 nan 0.000 0.424 81 G N -0.391 108.418 108.800 0.015 0.000 2.176 81 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.252 81 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.252 81 G C 0.302 175.210 174.900 0.013 0.000 1.024 81 G CA 0.955 46.063 45.100 0.012 0.000 0.755 81 G HN 0.929 nan 8.290 nan 0.000 0.507 82 R N -2.555 117.957 120.500 0.020 0.000 2.829 82 R HA 0.841 5.180 4.340 -0.001 0.000 0.267 82 R C -1.146 175.179 176.300 0.042 0.000 1.051 82 R CA -0.334 55.780 56.100 0.023 0.000 0.927 82 R CB 0.875 31.182 30.300 0.011 0.000 1.292 82 R HN 0.680 nan 8.270 nan 0.000 0.445 83 S N -0.324 115.405 115.700 0.048 0.000 2.540 83 S HA 0.465 4.934 4.470 -0.001 0.000 0.275 83 S C -1.592 173.061 174.600 0.089 0.000 1.123 83 S CA -0.656 57.590 58.200 0.077 0.000 0.907 83 S CB 1.643 64.880 63.200 0.061 0.000 1.081 83 S HN 0.531 nan 8.310 nan 0.000 0.476 84 E N 2.274 122.569 120.200 0.157 0.000 2.340 84 E HA 0.493 4.842 4.350 -0.001 0.000 0.273 84 E C -1.035 175.733 176.600 0.279 0.000 0.891 84 E CA -0.761 55.740 56.400 0.169 0.000 0.757 84 E CB 2.177 31.938 29.700 0.102 0.000 1.231 84 E HN 0.590 nan 8.360 nan 0.000 0.439 85 R N 0.966 121.598 120.500 0.220 0.000 2.686 85 R HA 0.510 4.849 4.340 -0.001 0.000 0.286 85 R C -1.410 175.048 176.300 0.264 0.000 0.969 85 R CA -0.760 55.476 56.100 0.227 0.000 0.898 85 R CB 1.771 32.136 30.300 0.109 0.000 1.183 85 R HN 0.492 nan 8.270 nan 0.000 0.456 86 Y N 1.532 121.937 120.300 0.174 0.000 2.361 86 Y HA 0.316 4.865 4.550 -0.001 0.000 0.328 86 Y C -0.799 175.147 175.900 0.077 0.000 1.044 86 Y CA -0.936 57.239 58.100 0.125 0.000 1.085 86 Y CB 1.385 39.960 38.460 0.191 0.000 1.194 86 Y HN 0.471 nan 8.280 nan 0.000 0.438 87 R N 4.493 124.823 120.500 -0.284 0.000 2.316 87 R HA 0.259 4.598 4.340 -0.001 0.000 0.314 87 R C -1.979 174.244 176.300 -0.129 0.000 1.069 87 R CA 0.094 56.074 56.100 -0.201 0.000 0.959 87 R CB 0.257 30.400 30.300 -0.262 0.000 0.987 87 R HN 0.673 nan 8.270 nan 0.000 0.446 88 Y N 3.319 123.381 120.300 -0.397 0.000 2.393 88 Y HA 0.429 4.979 4.550 -0.001 0.000 0.341 88 Y C -0.608 174.888 175.900 -0.674 0.000 0.988 88 Y CA -0.957 56.859 58.100 -0.473 0.000 1.078 88 Y CB 1.332 39.433 38.460 -0.598 0.000 1.203 88 Y HN 0.571 nan 8.280 nan 0.000 0.453 89 R N 4.582 124.604 120.500 -0.797 0.000 2.514 89 R HA 0.626 4.965 4.340 -0.001 0.000 0.301 89 R C -2.100 174.009 176.300 -0.318 0.000 0.962 89 R CA -0.828 54.980 56.100 -0.487 0.000 0.882 89 R CB 0.956 31.005 30.300 -0.418 0.000 1.143 89 R HN 0.599 nan 8.270 nan 0.000 0.452 90 L N 4.904 126.056 121.223 -0.118 0.000 2.319 90 L HA 0.400 4.739 4.340 -0.001 0.000 0.281 90 L C -1.040 175.802 176.870 -0.046 0.000 1.005 90 L CA -0.685 54.179 54.840 0.040 0.000 0.828 90 L CB 1.448 43.649 42.059 0.236 0.000 1.227 90 L HN 0.519 nan 8.230 nan 0.000 0.415 91 L N 2.636 123.750 121.223 -0.181 0.000 2.399 91 L HA 0.707 5.046 4.340 -0.001 0.000 0.265 91 L C 0.554 177.495 176.870 0.118 0.000 1.089 91 L CA -0.430 54.330 54.840 -0.134 0.000 0.802 91 L CB 1.125 42.972 42.059 -0.354 0.000 1.180 91 L HN 0.687 nan 8.230 nan 0.000 0.454 92 A N 2.320 125.226 122.820 0.143 0.000 2.354 92 A HA 0.546 4.865 4.320 -0.001 0.000 0.269 92 A C 0.190 177.935 177.584 0.269 0.000 1.109 92 A CA -0.480 51.666 52.037 0.182 0.000 0.800 92 A CB 0.144 19.211 19.000 0.112 0.000 1.045 92 A HN 0.677 nan 8.150 nan 0.000 0.489 93 R N 1.671 122.303 120.500 0.221 0.000 2.490 93 R HA 0.251 4.590 4.340 -0.001 0.000 0.278 93 R C -0.295 176.045 176.300 0.067 0.000 1.069 93 R CA -0.587 55.590 56.100 0.128 0.000 1.080 93 R CB 0.646 30.957 30.300 0.019 0.000 1.030 93 R HN 0.705 nan 8.270 nan 0.000 0.491 94 E N 2.075 122.292 120.200 0.029 0.000 2.418 94 E HA -0.074 4.275 4.350 -0.001 0.000 0.261 94 E C 0.051 176.652 176.600 0.001 0.000 1.070 94 E CA -0.003 56.405 56.400 0.013 0.000 0.931 94 E CB 0.493 30.187 29.700 -0.010 0.000 0.954 94 E HN 0.293 nan 8.360 nan 0.000 0.439 95 Q N 0.198 120.000 119.800 0.003 0.000 2.274 95 Q HA 0.105 4.444 4.340 -0.001 0.000 0.280 95 Q C 0.703 176.699 176.000 -0.007 0.000 1.047 95 Q CA 1.023 56.826 55.803 0.000 0.000 0.907 95 Q CB 0.620 29.358 28.738 0.001 0.000 1.171 95 Q HN 0.828 nan 8.270 nan 0.000 0.381 96 G N 2.992 111.789 108.800 -0.006 0.000 2.148 96 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.254 96 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.254 96 G C 0.950 175.848 174.900 -0.005 0.000 0.981 96 G CA 0.836 45.932 45.100 -0.007 0.000 0.670 96 G HN 0.631 nan 8.290 nan 0.000 0.528 97 S N 0.074 115.769 115.700 -0.009 0.000 2.353 97 S HA 0.037 4.506 4.470 -0.001 0.000 0.222 97 S C 2.873 177.518 174.600 0.074 0.000 1.035 97 S CA 2.235 60.436 58.200 0.001 0.000 1.025 97 S CB -0.410 62.765 63.200 -0.042 0.000 0.902 97 S HN 1.716 nan 8.310 nan 0.000 0.440 98 A N 0.658 123.494 122.820 0.025 0.000 1.940 98 A HA -0.052 4.268 4.320 -0.001 0.000 0.219 98 A C 2.010 179.633 177.584 0.064 0.000 1.176 98 A CA 1.391 53.430 52.037 0.004 0.000 0.631 98 A CB -0.451 18.502 19.000 -0.079 0.000 0.814 98 A HN 0.596 nan 8.150 nan 0.000 0.446 99 Q N 0.075 119.895 119.800 0.034 0.000 2.222 99 Q HA 0.042 4.381 4.340 -0.001 0.000 0.206 99 Q C -0.034 175.977 176.000 0.020 0.000 0.877 99 Q CA -0.071 55.746 55.803 0.022 0.000 0.958 99 Q CB -0.133 28.605 28.738 0.001 0.000 1.075 99 Q HN 0.847 nan 8.270 nan 0.000 0.483 100 R N 0.358 120.879 120.500 0.035 0.000 2.583 100 R HA 0.017 4.356 4.340 -0.001 0.000 0.274 100 R C 0.048 176.335 176.300 -0.021 0.000 0.998 100 R CA -0.035 56.061 56.100 -0.006 0.000 1.081 100 R CB 0.138 30.416 30.300 -0.036 0.000 0.940 100 R HN -0.225 nan 8.270 nan 0.000 0.413 101 Q N 2.469 122.250 119.800 -0.033 0.000 2.307 101 Q HA 0.247 4.586 4.340 -0.001 0.000 0.259 101 Q C -0.167 175.800 176.000 -0.055 0.000 0.998 101 Q CA 0.309 56.086 55.803 -0.043 0.000 0.923 101 Q CB 1.290 30.005 28.738 -0.037 0.000 1.196 101 Q HN 0.786 nan 8.270 nan 0.000 0.416 102 G N 3.115 111.858 108.800 -0.096 0.000 2.634 102 G HA2 0.310 4.269 3.960 -0.001 0.000 0.255 102 G HA3 0.310 4.269 3.960 -0.001 0.000 0.255 102 G C -0.546 174.276 174.900 -0.129 0.000 1.205 102 G CA -0.588 44.425 45.100 -0.145 0.000 0.884 102 G HN 0.739 nan 8.290 nan 0.000 0.549 103 F N -0.388 119.526 119.950 -0.060 0.000 2.506 103 F HA 0.608 5.134 4.527 -0.001 0.000 0.351 103 F C 0.594 176.355 175.800 -0.065 0.000 1.136 103 F CA -0.508 57.458 58.000 -0.057 0.000 1.298 103 F CB 0.495 39.469 39.000 -0.043 0.000 1.145 103 F HN 0.616 nan 8.300 nan 0.000 0.593 104 G N 1.473 110.314 108.800 0.067 0.000 2.975 104 G HA2 0.511 4.470 3.960 -0.001 0.000 0.291 104 G HA3 0.511 4.470 3.960 -0.001 0.000 0.291 104 G C -2.727 172.162 174.900 -0.019 0.000 1.334 104 G CA -1.416 43.660 45.100 -0.039 0.000 0.843 104 G HN 0.290 nan 8.290 nan 0.000 0.548 105 P HA -0.007 nan 4.420 nan 0.000 0.219 105 P C 1.769 178.908 177.300 -0.268 0.000 1.146 105 P CA 1.676 64.718 63.100 -0.097 0.000 0.808 105 P CB 0.156 31.818 31.700 -0.064 0.000 0.779 106 G N -1.526 106.991 108.800 -0.472 0.000 2.744 106 G HA2 -0.063 3.896 3.960 -0.001 0.000 0.211 106 G HA3 -0.063 3.896 3.960 -0.001 0.000 0.211 106 G C 0.379 174.970 174.900 -0.514 0.000 1.143 106 G CA 0.093 44.536 45.100 -1.094 0.000 0.788 106 G HN 0.212 nan 8.290 nan 0.000 0.534 107 D N 0.247 120.522 120.400 -0.208 0.000 2.294 107 D HA 0.551 5.190 4.640 -0.001 0.000 0.250 107 D C -0.229 176.077 176.300 0.011 0.000 1.058 107 D CA 0.062 54.032 54.000 -0.050 0.000 0.950 107 D CB 1.935 42.773 40.800 0.064 0.000 1.158 107 D HN 0.099 nan 8.370 nan 0.000 0.453 108 A N 1.849 124.719 122.820 0.085 0.000 2.343 108 A HA 0.574 4.893 4.320 -0.001 0.000 0.308 108 A C -0.436 177.393 177.584 0.408 0.000 1.092 108 A CA -0.644 51.527 52.037 0.223 0.000 0.751 108 A CB 0.659 19.708 19.000 0.082 0.000 1.203 108 A HN 0.487 nan 8.150 nan 0.000 0.452 109 I N 1.934 122.722 120.570 0.364 0.000 2.359 109 I HA 0.246 4.415 4.170 -0.001 0.000 0.294 109 I C -0.916 175.306 176.117 0.175 0.000 0.987 109 I CA -0.496 60.942 61.300 0.228 0.000 1.225 109 I CB 1.325 39.369 38.000 0.074 0.000 1.366 109 I HN 0.723 nan 8.210 nan 0.000 0.466 110 Y N 6.452 126.652 120.300 -0.166 0.000 2.342 110 Y HA 0.277 4.826 4.550 -0.001 0.000 0.338 110 Y C -0.116 175.628 175.900 -0.260 0.000 0.965 110 Y CA -0.348 57.470 58.100 -0.469 0.000 1.159 110 Y CB 0.965 39.003 38.460 -0.704 0.000 1.157 110 Y HN 0.504 nan 8.280 nan 0.000 0.486 111 Q N 7.854 127.357 119.800 -0.495 0.000 2.257 111 Q HA 0.558 4.898 4.340 -0.001 0.000 0.255 111 Q C -0.963 174.654 176.000 -0.638 0.000 0.920 111 Q CA -0.596 54.865 55.803 -0.570 0.000 0.927 111 Q CB 1.044 29.372 28.738 -0.683 0.000 1.229 111 Q HN 0.900 nan 8.270 nan 0.000 0.433 115 D N 0.141 120.731 120.400 0.317 0.000 2.263 115 D HA -0.087 4.552 4.640 -0.001 0.000 0.208 115 D C 1.328 177.955 176.300 0.546 0.000 0.971 115 D CA 0.972 55.282 54.000 0.517 0.000 0.867 115 D CB 0.350 41.468 40.800 0.529 0.000 0.929 115 D HN 0.029 nan 8.370 nan 0.000 0.492 116 R N -0.881 119.908 120.500 0.482 0.000 2.472 116 R HA 0.115 4.454 4.340 -0.001 0.000 0.279 116 R C 0.834 177.560 176.300 0.711 0.000 0.953 116 R CA -0.190 56.248 56.100 0.564 0.000 1.088 116 R CB -0.274 30.207 30.300 0.303 0.000 1.197 116 R HN 0.248 nan 8.270 nan 0.000 0.536 117 F N 1.058 121.243 119.950 0.392 0.000 2.202 117 F HA 0.459 4.986 4.527 -0.001 0.000 0.279 117 F C 0.017 176.007 175.800 0.316 0.000 1.077 117 F CA 0.002 58.177 58.000 0.293 0.000 1.193 117 F CB 0.176 39.239 39.000 0.105 0.000 1.090 117 F HN -0.109 nan 8.300 nan 0.000 0.516 118 A N 0.701 123.450 122.820 -0.118 0.000 2.437 118 A HA 0.423 4.742 4.320 -0.001 0.000 0.293 118 A C -1.464 175.795 177.584 -0.542 0.000 1.038 118 A CA -0.630 51.141 52.037 -0.444 0.000 0.708 118 A CB 0.398 19.177 19.000 -0.368 0.000 1.251 118 A HN 0.234 nan 8.150 nan 0.000 0.409 119 N N 2.141 120.219 118.700 -1.037 0.000 2.719 119 N HA 0.281 5.020 4.740 -0.001 0.000 0.243 119 N C 1.100 176.371 175.510 -0.399 0.000 1.104 119 N CA 0.497 53.083 53.050 -0.773 0.000 0.981 119 N CB 0.915 38.645 38.487 -1.261 0.000 1.290 119 N HN 0.745 nan 8.380 nan 0.000 0.513 120 G N 1.007 109.676 108.800 -0.217 0.000 2.712 120 G HA2 -0.083 3.876 3.960 -0.001 0.000 0.212 120 G HA3 -0.083 3.876 3.960 -0.001 0.000 0.212 120 G C 0.037 174.881 174.900 -0.094 0.000 1.142 120 G CA 0.074 45.090 45.100 -0.140 0.000 0.789 120 G HN 0.530 nan 8.290 nan 0.000 0.535 121 D N -1.037 119.315 120.400 -0.080 0.000 2.328 121 D HA 0.289 4.928 4.640 -0.001 0.000 0.243 121 D C -2.121 174.164 176.300 -0.025 0.000 1.324 121 D CA -1.711 52.266 54.000 -0.037 0.000 0.966 121 D CB 1.790 42.585 40.800 -0.007 0.000 1.324 121 D HN -0.123 nan 8.370 nan 0.000 0.549 122 P HA -0.107 nan 4.420 nan 0.000 0.222 122 P C 1.290 178.605 177.300 0.025 0.000 1.147 122 P CA 0.855 63.962 63.100 0.010 0.000 0.790 122 P CB 0.202 31.914 31.700 0.021 0.000 0.780 123 S N -0.201 115.509 115.700 0.016 0.000 2.515 123 S HA -0.103 4.366 4.470 -0.001 0.000 0.231 123 S C 1.471 176.084 174.600 0.022 0.000 0.987 123 S CA 0.962 59.173 58.200 0.019 0.000 0.936 123 S CB -1.228 61.981 63.200 0.014 0.000 0.766 123 S HN 0.219 nan 8.310 nan 0.000 0.528 124 N N 0.610 119.325 118.700 0.025 0.000 2.236 124 N HA 0.106 4.845 4.740 -0.001 0.000 0.196 124 N C 0.282 175.807 175.510 0.026 0.000 1.114 124 N CA 0.245 53.310 53.050 0.026 0.000 0.859 124 N CB -0.336 38.172 38.487 0.035 0.000 0.982 124 N HN 0.098 nan 8.380 nan 0.000 0.493 125 D N 0.346 120.771 120.400 0.042 0.000 2.149 125 D HA -0.078 4.561 4.640 -0.001 0.000 0.198 125 D C -0.170 176.153 176.300 0.039 0.000 0.990 125 D CA 1.223 55.261 54.000 0.064 0.000 0.839 125 D CB -0.054 40.805 40.800 0.098 0.000 0.948 125 D HN 0.309 nan 8.370 nan 0.000 0.460 126 N N -0.426 118.289 118.700 0.026 0.000 2.269 126 N HA 0.396 5.135 4.740 -0.001 0.000 0.304 126 N C -1.183 174.329 175.510 0.003 0.000 1.072 126 N CA -0.422 52.635 53.050 0.012 0.000 0.802 126 N CB 3.061 41.557 38.487 0.015 0.000 1.348 126 N HN -0.258 nan 8.380 nan 0.000 0.484 127 V N 0.947 120.856 119.914 -0.008 0.000 2.623 127 V HA 0.484 4.603 4.120 -0.001 0.000 0.304 127 V C -0.061 176.026 176.094 -0.011 0.000 1.054 127 V CA -1.100 61.195 62.300 -0.008 0.000 0.882 127 V CB 1.645 33.459 31.823 -0.014 0.000 1.002 127 V HN 0.833 nan 8.190 nan 0.000 0.424 128 A N 3.826 126.641 122.820 -0.007 0.000 2.546 128 A HA 0.595 4.914 4.320 -0.001 0.000 0.243 128 A C 1.000 178.576 177.584 -0.014 0.000 1.063 128 A CA 1.178 53.209 52.037 -0.010 0.000 0.757 128 A CB -0.596 18.400 19.000 -0.007 0.000 0.991 128 A HN 2.394 nan 8.150 nan 0.000 0.503 132 E N 2.778 122.953 120.200 -0.041 0.000 2.259 132 E HA 0.066 4.415 4.350 -0.001 0.000 0.281 132 E C -0.719 175.876 176.600 -0.008 0.000 1.037 132 E CA -0.147 56.240 56.400 -0.022 0.000 0.854 132 E CB 0.744 30.436 29.700 -0.013 0.000 1.051 132 E HN -0.024 nan 8.360 nan 0.000 0.409 133 Q N 1.650 121.450 119.800 0.001 0.000 2.261 133 Q HA 0.326 4.666 4.340 -0.001 0.000 0.252 133 Q C -0.372 175.649 176.000 0.035 0.000 0.915 133 Q CA -0.407 55.404 55.803 0.012 0.000 0.915 133 Q CB 1.602 30.345 28.738 0.007 0.000 1.204 133 Q HN 0.614 nan 8.270 nan 0.000 0.421 134 A N 2.258 125.107 122.820 0.048 0.000 2.520 134 A HA 0.149 4.468 4.320 -0.001 0.000 0.235 134 A C -0.086 177.542 177.584 0.073 0.000 1.065 134 A CA 0.304 52.389 52.037 0.081 0.000 0.764 134 A CB 0.122 19.180 19.000 0.098 0.000 1.002 134 A HN 0.644 nan 8.150 nan 0.000 0.502 135 D N 0.369 120.825 120.400 0.094 0.000 2.318 135 D HA 0.157 4.796 4.640 -0.001 0.000 0.233 135 D C 0.651 176.950 176.300 -0.003 0.000 1.348 135 D CA -0.441 53.591 54.000 0.054 0.000 0.983 135 D CB 0.562 41.411 40.800 0.082 0.000 1.416 135 D HN 0.545 nan 8.370 nan 0.000 0.558 136 R N 1.970 122.375 120.500 -0.157 0.000 2.237 136 R HA 0.053 4.392 4.340 -0.001 0.000 0.219 136 R C 1.459 177.428 176.300 -0.551 0.000 1.080 136 R CA 0.931 56.688 56.100 -0.571 0.000 0.995 136 R CB 0.308 30.333 30.300 -0.458 0.000 0.875 136 R HN 0.273 nan 8.270 nan 0.000 0.462 137 R N -1.354 119.018 120.500 -0.213 0.000 2.240 137 R HA -0.005 4.334 4.340 -0.001 0.000 0.203 137 R C 0.320 176.634 176.300 0.023 0.000 1.011 137 R CA 0.287 56.319 56.100 -0.114 0.000 1.007 137 R CB -0.011 30.249 30.300 -0.067 0.000 0.911 137 R HN 0.338 nan 8.270 nan 0.000 0.468 138 H N -0.202 118.843 119.070 -0.041 0.000 2.604 138 H HA 0.110 4.665 4.556 -0.002 0.000 0.306 138 H C 1.002 176.397 175.328 0.111 0.000 1.075 138 H CA -0.461 55.603 56.048 0.026 0.000 1.357 138 H CB 1.360 31.130 29.762 0.014 0.000 1.426 138 H HN 0.140 nan 8.280 nan 0.000 0.470 139 G N 2.926 111.775 108.800 0.080 0.000 2.450 139 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.220 139 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.220 139 G C 1.259 175.927 174.900 -0.387 0.000 1.130 139 G CA 0.648 45.702 45.100 -0.076 0.000 0.760 139 G HN 0.680 nan 8.290 nan 0.000 0.557 140 G N -0.252 108.114 108.800 -0.724 0.000 3.605 140 G HA2 0.518 4.477 3.960 -0.001 0.000 0.277 140 G HA3 0.518 4.477 3.960 -0.001 0.000 0.277 140 G C 0.538 175.067 174.900 -0.618 0.000 1.093 140 G CA 0.427 45.208 45.100 -0.532 0.000 0.821 140 G HN 0.600 nan 8.290 nan 0.000 0.532 141 G N -0.233 108.193 108.800 -0.622 0.000 2.613 141 G HA2 0.543 4.502 3.960 -0.001 0.000 0.303 141 G HA3 0.543 4.502 3.960 -0.001 0.000 0.303 141 G C -0.383 174.476 174.900 -0.069 0.000 1.312 141 G CA -1.040 43.984 45.100 -0.127 0.000 1.036 141 G HN 0.219 nan 8.290 nan 0.000 0.513 142 R N -0.494 120.078 120.500 0.121 0.000 2.265 142 R HA 0.251 4.590 4.340 -0.001 0.000 0.314 142 R C 0.282 176.786 176.300 0.339 0.000 1.053 142 R CA -0.244 55.968 56.100 0.188 0.000 0.931 142 R CB 0.864 31.251 30.300 0.145 0.000 1.024 142 R HN 0.725 nan 8.270 nan 0.000 0.457 143 H N 0.858 120.021 119.070 0.155 0.000 2.595 143 H HA 0.106 4.661 4.556 -0.002 0.000 0.265 143 H C 1.080 176.730 175.328 0.537 0.000 0.953 143 H CA 0.343 56.527 56.048 0.227 0.000 1.197 143 H CB 0.964 30.790 29.762 0.106 0.000 1.438 143 H HN 1.015 nan 8.280 nan 0.000 0.531 144 G N 0.816 109.957 108.800 0.568 0.000 2.168 144 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.197 144 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.197 144 G C 0.686 175.744 174.900 0.263 0.000 0.997 144 G CA -0.165 45.171 45.100 0.394 0.000 0.658 144 G HN 0.604 nan 8.290 nan 0.000 0.513 145 G N 0.373 109.413 108.800 0.400 0.000 2.491 145 G HA2 0.555 4.514 3.960 -0.001 0.000 0.238 145 G HA3 0.555 4.514 3.960 -0.001 0.000 0.238 145 G C -0.001 175.058 174.900 0.265 0.000 1.277 145 G CA 1.020 46.223 45.100 0.172 0.000 0.851 145 G HN 1.114 nan 8.290 nan 0.000 0.573 146 D N -0.441 120.047 120.400 0.147 0.000 2.677 146 D HA 0.207 4.846 4.640 -0.001 0.000 0.298 146 D C 0.994 177.368 176.300 0.123 0.000 1.250 146 D CA -0.892 53.240 54.000 0.219 0.000 0.888 146 D CB 0.424 41.328 40.800 0.172 0.000 1.397 146 D HN 0.197 nan 8.370 nan 0.000 0.461 147 I N -0.915 119.737 120.570 0.137 0.000 2.226 147 I HA -0.172 3.997 4.170 -0.001 0.000 0.245 147 I C 2.352 178.512 176.117 0.071 0.000 1.100 147 I CA 0.879 62.245 61.300 0.110 0.000 1.374 147 I CB -0.213 37.880 38.000 0.156 0.000 1.057 147 I HN 0.339 nan 8.210 nan 0.000 0.413 148 R N 1.787 122.318 120.500 0.052 0.000 2.083 148 R HA -0.142 4.197 4.340 -0.001 0.000 0.237 148 R C 2.141 178.417 176.300 -0.040 0.000 1.137 148 R CA 2.006 58.106 56.100 0.000 0.000 0.951 148 R CB -1.452 28.843 30.300 -0.008 0.000 0.851 148 R HN 0.353 nan 8.270 nan 0.000 0.434 149 G N -1.183 107.596 108.800 -0.034 0.000 2.440 149 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.218 149 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.218 149 G C 1.386 176.307 174.900 0.035 0.000 1.154 149 G CA 1.320 46.385 45.100 -0.060 0.000 0.767 149 G HN 0.443 nan 8.290 nan 0.000 0.552 150 T N 1.289 115.932 114.554 0.147 0.000 2.708 150 T HA -0.040 4.309 4.350 -0.001 0.000 0.266 150 T C 2.393 177.175 174.700 0.136 0.000 1.037 150 T CA 0.971 63.245 62.100 0.290 0.000 1.146 150 T CB -0.181 68.819 68.868 0.221 0.000 0.865 150 T HN 0.232 nan 8.240 nan 0.000 0.435 151 I N 1.409 122.000 120.570 0.034 0.000 2.208 151 I HA -0.206 3.963 4.170 -0.001 0.000 0.245 151 I C 2.146 178.200 176.117 -0.104 0.000 1.097 151 I CA 1.267 62.553 61.300 -0.023 0.000 1.363 151 I CB -0.415 37.566 38.000 -0.031 0.000 1.051 151 I HN 0.151 nan 8.210 nan 0.000 0.413 152 D N -0.298 119.974 120.400 -0.214 0.000 2.309 152 D HA -0.155 4.484 4.640 -0.001 0.000 0.212 152 D C 1.443 177.307 176.300 -0.725 0.000 0.968 152 D CA 1.247 54.968 54.000 -0.466 0.000 0.882 152 D CB -0.141 40.281 40.800 -0.630 0.000 0.918 152 D HN 0.464 nan 8.370 nan 0.000 0.503 153 H N -0.779 118.185 119.070 -0.177 0.000 2.662 153 H HA 0.234 4.790 4.556 -0.000 0.000 0.268 153 H C 1.877 177.240 175.328 0.058 0.000 1.152 153 H CA -0.163 55.754 56.048 -0.218 0.000 1.072 153 H CB 0.478 29.850 29.762 -0.651 0.000 1.660 153 H HN 0.105 nan 8.280 nan 0.000 0.584 154 L N 0.148 121.426 121.223 0.091 0.000 2.079 154 L HA -0.178 4.161 4.340 -0.001 0.000 0.210 154 L C 1.916 178.829 176.870 0.072 0.000 1.081 154 L CA 1.163 56.048 54.840 0.076 0.000 0.752 154 L CB -0.066 42.005 42.059 0.019 0.000 0.896 154 L HN 0.101 nan 8.230 nan 0.000 0.433 155 D N -0.730 119.710 120.400 0.066 0.000 2.123 155 D HA -0.254 4.386 4.640 -0.001 0.000 0.196 155 D C 1.868 178.248 176.300 0.133 0.000 0.992 155 D CA 1.368 55.412 54.000 0.074 0.000 0.833 155 D CB -0.245 40.591 40.800 0.059 0.000 0.954 155 D HN 0.336 nan 8.370 nan 0.000 0.455 156 Y N 1.582 121.944 120.300 0.104 0.000 2.097 156 Y HA -0.202 4.348 4.550 -0.001 0.000 0.282 156 Y C 2.230 178.191 175.900 0.102 0.000 1.152 156 Y CA 1.390 59.599 58.100 0.182 0.000 1.136 156 Y CB -0.515 38.173 38.460 0.380 0.000 0.975 156 Y HN -0.086 nan 8.280 nan 0.000 0.498 157 I N 0.333 120.877 120.570 -0.044 0.000 2.163 157 I HA -0.346 3.823 4.170 -0.001 0.000 0.243 157 I C 2.725 178.757 176.117 -0.142 0.000 1.085 157 I CA 1.373 62.487 61.300 -0.309 0.000 1.347 157 I CB -0.953 36.890 38.000 -0.262 0.000 1.044 157 I HN 0.365 nan 8.210 nan 0.000 0.408 158 A N 1.059 123.847 122.820 -0.053 0.000 1.902 158 A HA -0.139 4.181 4.320 -0.001 0.000 0.217 158 A C 2.442 179.997 177.584 -0.049 0.000 1.181 158 A CA 1.946 53.969 52.037 -0.024 0.000 0.623 158 A CB -1.467 17.529 19.000 -0.007 0.000 0.818 158 A HN 0.480 nan 8.150 nan 0.000 0.443 159 G N -0.441 108.326 108.800 -0.056 0.000 2.432 159 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.219 159 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.219 159 G C 1.445 176.286 174.900 -0.098 0.000 1.135 159 G CA 0.907 45.978 45.100 -0.049 0.000 0.767 159 G HN 0.443 nan 8.290 nan 0.000 0.550 160 L N -0.072 121.043 121.223 -0.181 0.000 2.376 160 L HA 0.152 4.492 4.340 -0.001 0.000 0.219 160 L C 2.142 178.855 176.870 -0.262 0.000 1.133 160 L CA 0.792 55.525 54.840 -0.178 0.000 0.816 160 L CB -0.048 41.947 42.059 -0.107 0.000 0.933 160 L HN 0.446 nan 8.230 nan 0.000 0.449 161 G N -1.194 107.467 108.800 -0.231 0.000 2.168 161 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.197 161 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.197 161 G C 0.021 174.680 174.900 -0.403 0.000 0.997 161 G CA -0.627 44.297 45.100 -0.295 0.000 0.658 161 G HN 0.102 nan 8.290 nan 0.000 0.513 162 F N 0.921 120.822 119.950 -0.080 0.000 2.371 162 F HA 0.579 5.105 4.527 -0.002 0.000 0.329 162 F C 1.644 177.423 175.800 -0.035 0.000 1.107 162 F CA 0.664 58.644 58.000 -0.033 0.000 1.137 162 F CB 1.778 40.773 39.000 -0.008 0.000 1.214 162 F HN 0.094 nan 8.300 nan 0.000 0.536 163 T N -2.379 112.281 114.554 0.177 0.000 3.144 163 T HA 0.290 4.639 4.350 -0.001 0.000 0.290 163 T C -0.138 174.609 174.700 0.078 0.000 0.966 163 T CA -0.252 61.896 62.100 0.080 0.000 0.907 163 T CB 0.088 68.974 68.868 0.030 0.000 1.152 163 T HN 0.424 nan 8.240 nan 0.000 0.532 164 Q N 0.875 120.743 119.800 0.112 0.000 2.309 164 Q HA 0.555 4.895 4.340 -0.001 0.000 0.273 164 Q C -1.996 174.046 176.000 0.071 0.000 1.040 164 Q CA -0.675 55.162 55.803 0.056 0.000 0.834 164 Q CB 3.099 31.836 28.738 -0.003 0.000 1.345 164 Q HN 0.315 nan 8.270 nan 0.000 0.414 165 L N 2.779 124.025 121.223 0.039 0.000 2.313 165 L HA 0.618 4.957 4.340 -0.001 0.000 0.283 165 L C -1.640 175.283 176.870 0.088 0.000 1.013 165 L CA -0.254 54.614 54.840 0.047 0.000 0.816 165 L CB 1.017 43.081 42.059 0.008 0.000 1.236 165 L HN 0.691 nan 8.230 nan 0.000 0.419 166 W N 9.757 130.982 121.300 -0.125 0.000 2.413 166 W HA 0.613 5.273 4.660 -0.001 0.000 0.308 166 W C -2.802 173.632 176.519 -0.140 0.000 0.997 166 W CA -2.923 54.335 57.345 -0.145 0.000 1.447 166 W CB 0.863 30.211 29.460 -0.187 0.000 1.263 166 W HN 0.377 nan 8.180 nan 0.000 0.416 167 P HA 0.239 nan 4.420 nan 0.000 0.292 167 P C 0.276 177.486 177.300 -0.149 0.000 1.283 167 P CA -0.003 62.977 63.100 -0.200 0.000 0.835 167 P CB 1.691 33.336 31.700 -0.091 0.000 1.017 168 T N 0.750 115.099 114.554 -0.341 0.000 2.734 168 T HA 0.195 4.544 4.350 -0.001 0.000 0.314 168 T C -2.258 172.291 174.700 -0.252 0.000 1.057 168 T CA -1.401 60.550 62.100 -0.248 0.000 1.047 168 T CB -1.320 67.315 68.868 -0.387 0.000 0.991 168 T HN 0.265 nan 8.240 nan 0.000 0.540 169 P HA 0.156 nan 4.420 nan 0.000 0.265 169 P C -0.057 177.094 177.300 -0.250 0.000 1.187 169 P CA -0.014 62.900 63.100 -0.309 0.000 0.766 169 P CB 0.233 31.694 31.700 -0.397 0.000 0.820 170 L N 2.242 123.301 121.223 -0.274 0.000 2.766 170 L HA 0.164 4.504 4.340 -0.001 0.000 0.242 170 L C 0.854 177.697 176.870 -0.045 0.000 1.136 170 L CA -0.013 54.733 54.840 -0.158 0.000 0.933 170 L CB 0.414 42.256 42.059 -0.361 0.000 1.241 170 L HN 0.180 nan 8.230 nan 0.000 0.522 171 V N 1.264 121.075 119.914 -0.171 0.000 2.843 171 V HA -0.031 4.088 4.120 -0.001 0.000 0.305 171 V C 0.795 176.874 176.094 -0.024 0.000 1.065 171 V CA -0.213 62.029 62.300 -0.097 0.000 1.116 171 V CB 1.077 32.834 31.823 -0.110 0.000 0.968 171 V HN 0.363 nan 8.190 nan 0.000 0.487 172 E N 5.285 125.488 120.200 0.005 0.000 2.765 172 E HA -0.106 4.243 4.350 -0.001 0.000 0.256 172 E C -0.173 176.391 176.600 -0.060 0.000 0.935 172 E CA 0.512 56.898 56.400 -0.023 0.000 0.954 172 E CB 0.107 29.802 29.700 -0.009 0.000 0.908 172 E HN 0.743 nan 8.360 nan 0.000 0.500 173 N N 4.847 123.512 118.700 -0.058 0.000 2.790 173 N HA 0.016 4.755 4.740 -0.001 0.000 0.256 173 N C -1.278 174.210 175.510 -0.036 0.000 1.409 173 N CA -0.333 52.689 53.050 -0.047 0.000 0.799 173 N CB 0.685 39.137 38.487 -0.058 0.000 1.170 173 N HN 0.426 nan 8.380 nan 0.000 0.507 174 D N 1.802 122.192 120.400 -0.018 0.000 2.994 174 D HA 0.172 4.812 4.640 -0.001 0.000 0.240 174 D C 0.054 176.363 176.300 0.015 0.000 1.195 174 D CA -0.192 53.796 54.000 -0.019 0.000 0.957 174 D CB -0.195 40.589 40.800 -0.027 0.000 1.105 174 D HN 0.416 nan 8.370 nan 0.000 0.477 175 A N 0.196 123.049 122.820 0.054 0.000 2.271 175 A HA 0.634 4.954 4.320 -0.001 0.000 0.288 175 A C 1.419 179.031 177.584 0.048 0.000 1.094 175 A CA 0.052 52.185 52.037 0.159 0.000 0.828 175 A CB 0.938 20.034 19.000 0.161 0.000 1.091 175 A HN 0.328 nan 8.150 nan 0.000 0.493 176 A N 0.259 123.128 122.820 0.081 0.000 1.968 176 A HA 0.459 4.778 4.320 -0.001 0.000 0.217 176 A C 1.174 178.752 177.584 -0.011 0.000 1.169 176 A CA 1.744 53.785 52.037 0.007 0.000 0.638 176 A CB -0.415 18.613 19.000 0.047 0.000 0.812 176 A HN 2.024 nan 8.150 nan 0.000 0.446 177 A N -3.525 119.292 122.820 -0.004 0.000 2.498 177 A HA 0.580 4.900 4.320 -0.001 0.000 0.298 177 A C -0.200 177.338 177.584 -0.075 0.000 1.075 177 A CA -0.535 51.401 52.037 -0.168 0.000 0.714 177 A CB 0.260 19.051 19.000 -0.347 0.000 1.299 177 A HN 0.922 nan 8.150 nan 0.000 0.407 178 Y N 0.263 120.623 120.300 0.100 0.000 3.491 178 Y HA -0.280 4.269 4.550 -0.001 0.000 0.215 178 Y C 1.895 177.638 175.900 -0.262 0.000 1.219 178 Y CA 0.957 59.086 58.100 0.048 0.000 1.485 178 Y CB -2.543 35.966 38.460 0.082 0.000 1.450 178 Y HN 1.004 nan 8.280 nan 0.000 0.603 179 S N -1.180 114.506 115.700 -0.022 0.000 2.453 179 S HA -0.194 4.275 4.470 -0.001 0.000 0.231 179 S C 1.780 176.291 174.600 -0.149 0.000 1.005 179 S CA 0.821 58.950 58.200 -0.118 0.000 0.949 179 S CB -0.665 62.510 63.200 -0.042 0.000 0.774 179 S HN 0.665 nan 8.310 nan 0.000 0.510 180 Y N 3.266 123.503 120.300 -0.104 0.000 2.256 180 Y HA -0.165 4.384 4.550 -0.002 0.000 0.288 180 Y C 2.362 178.316 175.900 0.090 0.000 1.155 180 Y CA 1.404 59.511 58.100 0.012 0.000 1.203 180 Y CB -1.516 36.963 38.460 0.031 0.000 0.980 180 Y HN 0.668 nan 8.280 nan 0.000 0.530 181 H N -1.323 117.281 119.070 -0.776 0.000 2.462 181 H HA 0.181 4.737 4.556 -0.001 0.000 0.292 181 H C 2.009 177.187 175.328 -0.250 0.000 1.049 181 H CA 0.560 56.266 56.048 -0.570 0.000 1.334 181 H CB -0.389 29.090 29.762 -0.471 0.000 1.404 181 H HN 0.502 nan 8.280 nan 0.000 0.544 182 G N 0.775 109.565 108.800 -0.016 0.000 2.199 182 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.254 182 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.254 182 G C 0.330 175.158 174.900 -0.121 0.000 0.982 182 G CA 0.437 45.478 45.100 -0.097 0.000 0.632 182 G HN 0.548 nan 8.290 nan 0.000 0.529 183 Y N 0.855 121.368 120.300 0.355 0.000 2.502 183 Y HA 0.531 5.081 4.550 -0.001 0.000 0.295 183 Y C 1.709 177.727 175.900 0.197 0.000 1.193 183 Y CA 0.769 58.969 58.100 0.166 0.000 1.295 183 Y CB 0.460 38.906 38.460 -0.023 0.000 1.059 183 Y HN 0.613 nan 8.280 nan 0.000 0.514 184 A N 0.374 123.365 122.820 0.285 0.000 3.030 184 A HA 0.740 5.059 4.320 -0.001 0.000 0.335 184 A C 0.084 177.709 177.584 0.068 0.000 1.089 184 A CA -0.572 51.599 52.037 0.224 0.000 0.807 184 A CB -0.611 18.550 19.000 0.268 0.000 1.099 184 A HN 0.173 nan 8.150 nan 0.000 0.474 185 A N 1.179 123.982 122.820 -0.028 0.000 2.511 185 A HA 0.467 4.787 4.320 -0.001 0.000 0.242 185 A C 1.300 178.781 177.584 -0.172 0.000 1.069 185 A CA 0.825 52.752 52.037 -0.183 0.000 0.763 185 A CB -0.037 18.683 19.000 -0.466 0.000 1.001 185 A HN 1.375 nan 8.150 nan 0.000 0.498 186 T N -1.679 112.746 114.554 -0.216 0.000 3.044 186 T HA 0.291 4.640 4.350 -0.001 0.000 0.260 186 T C -0.162 174.146 174.700 -0.653 0.000 1.019 186 T CA 0.524 62.427 62.100 -0.329 0.000 0.921 186 T CB 0.127 68.925 68.868 -0.117 0.000 1.053 186 T HN 0.631 nan 8.240 nan 0.000 0.533 187 D N 0.241 120.379 120.400 -0.438 0.000 2.300 187 D HA 0.111 4.750 4.640 -0.001 0.000 0.218 187 D C 0.028 176.313 176.300 -0.025 0.000 1.326 187 D CA -0.371 53.505 54.000 -0.206 0.000 0.942 187 D CB 0.649 41.455 40.800 0.010 0.000 1.495 187 D HN 0.069 nan 8.370 nan 0.000 0.545 188 H N 2.249 121.413 119.070 0.157 0.000 2.546 188 H HA -0.029 4.526 4.556 -0.001 0.000 0.277 188 H C 0.333 175.766 175.328 0.176 0.000 1.004 188 H CA 0.863 57.027 56.048 0.194 0.000 1.231 188 H CB 0.620 30.510 29.762 0.213 0.000 1.382 188 H HN 0.459 nan 8.280 nan 0.000 0.580 189 Y N -0.044 120.445 120.300 0.315 0.000 2.524 189 Y HA 0.223 4.771 4.550 -0.002 0.000 0.266 189 Y C 0.822 176.836 175.900 0.190 0.000 1.180 189 Y CA -0.077 58.031 58.100 0.014 0.000 1.244 189 Y CB 0.798 39.061 38.460 -0.329 0.000 1.125 189 Y HN -0.121 nan 8.280 nan 0.000 0.524 190 R N 0.883 121.659 120.500 0.460 0.000 2.538 190 R HA 0.333 4.672 4.340 -0.001 0.000 0.292 190 R C -1.019 175.487 176.300 0.343 0.000 1.008 190 R CA -0.642 55.691 56.100 0.388 0.000 0.896 190 R CB 1.026 31.462 30.300 0.228 0.000 1.187 190 R HN -0.027 nan 8.270 nan 0.000 0.440 191 I N 2.768 123.559 120.570 0.369 0.000 2.752 191 I HA -0.069 4.101 4.170 -0.001 0.000 0.287 191 I C 0.796 177.003 176.117 0.150 0.000 1.188 191 I CA 0.448 61.859 61.300 0.185 0.000 1.427 191 I CB 0.385 38.504 38.000 0.199 0.000 1.365 191 I HN 0.641 nan 8.210 nan 0.000 0.585 192 D N 8.210 128.679 120.400 0.115 0.000 2.450 192 D HA 0.025 4.664 4.640 -0.001 0.000 0.247 192 D C -1.658 174.644 176.300 0.002 0.000 1.162 192 D CA -1.216 52.787 54.000 0.005 0.000 0.879 192 D CB 1.688 42.395 40.800 -0.156 0.000 1.163 192 D HN 0.223 nan 8.370 nan 0.000 0.472 193 P HA -0.088 nan 4.420 nan 0.000 0.219 193 P C 1.056 178.348 177.300 -0.013 0.000 1.146 193 P CA 0.915 64.027 63.100 0.020 0.000 0.808 193 P CB 0.265 31.971 31.700 0.010 0.000 0.779 194 R N -2.028 118.399 120.500 -0.123 0.000 2.189 194 R HA -0.096 4.243 4.340 -0.001 0.000 0.223 194 R C 1.740 177.982 176.300 -0.097 0.000 1.092 194 R CA 1.186 57.191 56.100 -0.158 0.000 0.989 194 R CB -0.679 29.452 30.300 -0.282 0.000 0.876 194 R HN 0.279 nan 8.270 nan 0.000 0.457 195 Y N -1.685 118.650 120.300 0.057 0.000 2.476 195 Y HA 0.371 4.919 4.550 -0.002 0.000 0.283 195 Y C 1.336 177.282 175.900 0.076 0.000 1.109 195 Y CA 0.477 58.616 58.100 0.064 0.000 1.246 195 Y CB 0.371 38.862 38.460 0.052 0.000 1.068 195 Y HN 0.134 nan 8.280 nan 0.000 0.552 196 G N -0.788 108.149 108.800 0.228 0.000 2.339 196 G HA2 0.264 4.223 3.960 -0.001 0.000 0.275 196 G HA3 0.264 4.223 3.960 -0.001 0.000 0.275 196 G C -1.077 173.938 174.900 0.192 0.000 1.323 196 G CA -0.483 44.729 45.100 0.187 0.000 0.927 196 G HN 0.270 nan 8.290 nan 0.000 0.486 197 S N -0.668 115.155 115.700 0.205 0.000 2.718 197 S HA 0.541 5.010 4.470 -0.001 0.000 0.300 197 S C 1.057 175.856 174.600 0.333 0.000 1.117 197 S CA 0.073 58.412 58.200 0.232 0.000 1.002 197 S CB 1.824 65.141 63.200 0.195 0.000 1.092 197 S HN 0.569 nan 8.310 nan 0.000 0.542 198 N N 1.287 120.233 118.700 0.410 0.000 2.094 198 N HA -0.124 4.615 4.740 -0.001 0.000 0.191 198 N C 1.378 177.245 175.510 0.596 0.000 1.023 198 N CA 1.870 55.297 53.050 0.628 0.000 0.857 198 N CB -0.641 38.262 38.487 0.694 0.000 1.013 198 N HN 0.747 nan 8.380 nan 0.000 0.426 199 E N 0.390 120.842 120.200 0.421 0.000 2.106 199 E HA -0.094 4.256 4.350 -0.001 0.000 0.192 199 E C 1.271 177.997 176.600 0.210 0.000 0.984 199 E CA 0.851 57.424 56.400 0.289 0.000 0.806 199 E CB -0.203 29.628 29.700 0.218 0.000 0.750 199 E HN 0.348 nan 8.360 nan 0.000 0.458 200 D N -0.249 120.290 120.400 0.231 0.000 2.144 200 D HA -0.131 4.508 4.640 -0.001 0.000 0.200 200 D C 1.562 177.994 176.300 0.220 0.000 0.978 200 D CA 0.617 54.728 54.000 0.186 0.000 0.833 200 D CB -0.240 40.671 40.800 0.185 0.000 0.961 200 D HN 0.128 nan 8.370 nan 0.000 0.470 201 F N 1.484 121.515 119.950 0.136 0.000 2.102 201 F HA -0.179 4.346 4.527 -0.002 0.000 0.298 201 F C 2.192 178.020 175.800 0.047 0.000 1.105 201 F CA 0.830 58.897 58.000 0.111 0.000 1.239 201 F CB -0.416 38.709 39.000 0.208 0.000 0.991 201 F HN -0.225 nan 8.300 nan 0.000 0.474 202 V N 0.585 120.517 119.914 0.031 0.000 2.392 202 V HA -0.304 3.815 4.120 -0.001 0.000 0.249 202 V C 2.573 178.573 176.094 -0.157 0.000 1.059 202 V CA 2.233 64.414 62.300 -0.198 0.000 1.051 202 V CB -0.795 30.865 31.823 -0.271 0.000 0.658 202 V HN 0.272 nan 8.190 nan 0.000 0.455 203 R N -0.405 120.059 120.500 -0.060 0.000 2.075 203 R HA -0.152 4.187 4.340 -0.001 0.000 0.232 203 R C 2.250 178.503 176.300 -0.078 0.000 1.126 203 R CA 1.498 57.568 56.100 -0.051 0.000 0.963 203 R CB -0.390 29.909 30.300 -0.001 0.000 0.858 203 R HN 0.447 nan 8.270 nan 0.000 0.435 204 L N 0.272 121.442 121.223 -0.087 0.000 2.013 204 L HA -0.209 4.130 4.340 -0.001 0.000 0.212 204 L C 2.214 178.982 176.870 -0.170 0.000 1.073 204 L CA 2.336 57.110 54.840 -0.110 0.000 0.753 204 L CB -1.042 40.949 42.059 -0.113 0.000 0.890 204 L HN 0.151 nan 8.230 nan 0.000 0.432 205 S N -1.500 114.034 115.700 -0.278 0.000 2.356 205 S HA -0.210 4.260 4.470 -0.001 0.000 0.223 205 S C 2.031 176.536 174.600 -0.157 0.000 1.032 205 S CA 2.034 60.081 58.200 -0.256 0.000 1.005 205 S CB -0.658 62.341 63.200 -0.336 0.000 0.867 205 S HN 0.821 nan 8.310 nan 0.000 0.449 206 T N -0.530 113.942 114.554 -0.137 0.000 2.857 206 T HA 0.054 4.403 4.350 -0.001 0.000 0.266 206 T C 1.654 176.311 174.700 -0.072 0.000 1.048 206 T CA 1.003 63.047 62.100 -0.095 0.000 1.139 206 T CB -0.444 68.375 68.868 -0.082 0.000 0.874 206 T HN 0.265 nan 8.240 nan 0.000 0.455 207 E N 1.639 121.798 120.200 -0.069 0.000 2.150 207 E HA 0.066 4.415 4.350 -0.001 0.000 0.193 207 E C 2.570 179.141 176.600 -0.048 0.000 0.985 207 E CA 1.180 57.548 56.400 -0.052 0.000 0.814 207 E CB -0.582 29.090 29.700 -0.046 0.000 0.752 207 E HN 0.696 nan 8.360 nan 0.000 0.466 208 A N 1.356 124.141 122.820 -0.059 0.000 1.898 208 A HA -0.175 4.144 4.320 -0.001 0.000 0.216 208 A C 2.223 179.782 177.584 -0.042 0.000 1.181 208 A CA 1.576 53.584 52.037 -0.047 0.000 0.620 208 A CB -0.471 18.493 19.000 -0.060 0.000 0.819 208 A HN 0.133 nan 8.150 nan 0.000 0.442 209 R N 0.042 120.510 120.500 -0.053 0.000 2.105 209 R HA -0.146 4.193 4.340 -0.001 0.000 0.239 209 R C 2.016 178.295 176.300 -0.035 0.000 1.135 209 R CA 1.807 57.880 56.100 -0.046 0.000 0.967 209 R CB -0.231 30.036 30.300 -0.056 0.000 0.861 209 R HN 0.498 nan 8.270 nan 0.000 0.442 210 K N -0.027 120.352 120.400 -0.035 0.000 2.147 210 K HA -0.135 4.184 4.320 -0.001 0.000 0.205 210 K C 1.687 178.274 176.600 -0.022 0.000 1.049 210 K CA 1.342 57.613 56.287 -0.028 0.000 0.936 210 K CB -0.013 32.470 32.500 -0.028 0.000 0.722 210 K HN 0.241 nan 8.250 nan 0.000 0.446 211 R N 0.588 121.076 120.500 -0.021 0.000 2.356 211 R HA 0.098 4.437 4.340 -0.001 0.000 0.234 211 R C 0.508 176.800 176.300 -0.012 0.000 0.929 211 R CA 0.182 56.274 56.100 -0.014 0.000 1.084 211 R CB 0.389 30.683 30.300 -0.011 0.000 1.105 211 R HN 0.249 nan 8.270 nan 0.000 0.515 215 L N 0.541 121.740 121.223 -0.041 0.000 2.349 215 L HA 0.810 5.149 4.340 -0.001 0.000 0.278 215 L C -0.810 176.049 176.870 -0.018 0.000 0.996 215 L CA -0.833 53.974 54.840 -0.054 0.000 0.825 215 L CB 1.356 43.326 42.059 -0.148 0.000 1.243 215 L HN 0.467 nan 8.230 nan 0.000 0.412 216 I N 4.374 124.948 120.570 0.007 0.000 2.339 216 I HA 0.385 4.554 4.170 -0.001 0.000 0.290 216 I C -0.259 175.896 176.117 0.063 0.000 0.994 216 I CA -0.419 60.878 61.300 -0.005 0.000 1.191 216 I CB 1.711 39.606 38.000 -0.175 0.000 1.343 216 I HN 0.624 nan 8.210 nan 0.000 0.458 217 Q N 5.059 124.899 119.800 0.068 0.000 2.241 217 Q HA 0.167 4.507 4.340 -0.001 0.000 0.254 217 Q C -0.933 175.082 176.000 0.025 0.000 0.917 217 Q CA -0.686 55.176 55.803 0.098 0.000 0.919 217 Q CB 1.442 30.247 28.738 0.110 0.000 1.237 217 Q HN 0.454 nan 8.270 nan 0.000 0.434 218 D N 3.473 123.912 120.400 0.065 0.000 2.316 218 D HA 0.253 4.892 4.640 -0.001 0.000 0.245 218 D C -0.974 175.344 176.300 0.030 0.000 1.171 218 D CA -0.192 53.857 54.000 0.080 0.000 0.856 218 D CB 0.905 41.888 40.800 0.305 0.000 1.090 218 D HN 0.366 nan 8.370 nan 0.000 0.476 219 V N 1.462 121.413 119.914 0.062 0.000 2.715 219 V HA 0.714 4.833 4.120 -0.001 0.000 0.310 219 V C -0.368 175.780 176.094 0.091 0.000 1.054 219 V CA -0.826 61.517 62.300 0.071 0.000 0.928 219 V CB 1.913 33.810 31.823 0.123 0.000 1.007 219 V HN 0.186 nan 8.190 nan 0.000 0.437 220 V N 4.971 124.925 119.914 0.067 0.000 2.409 220 V HA 0.424 4.543 4.120 -0.001 0.000 0.291 220 V C 0.557 176.628 176.094 -0.038 0.000 1.020 220 V CA -0.243 62.054 62.300 -0.004 0.000 0.848 220 V CB 1.351 33.116 31.823 -0.096 0.000 0.990 220 V HN 0.917 nan 8.190 nan 0.000 0.430 221 L N 2.468 123.638 121.223 -0.089 0.000 2.537 221 L HA 0.119 4.458 4.340 -0.001 0.000 0.224 221 L C 2.220 178.980 176.870 -0.184 0.000 1.065 221 L CA 0.563 55.332 54.840 -0.118 0.000 0.860 221 L CB 0.095 42.085 42.059 -0.115 0.000 1.086 221 L HN 0.710 nan 8.230 nan 0.000 0.482 222 S N -1.077 114.531 115.700 -0.152 0.000 2.395 222 S HA -0.022 4.448 4.470 -0.001 0.000 0.225 222 S C 0.582 175.160 174.600 -0.038 0.000 1.027 222 S CA 0.347 58.505 58.200 -0.070 0.000 0.965 222 S CB -0.059 63.246 63.200 0.176 0.000 0.812 222 S HN 0.532 nan 8.310 nan 0.000 0.482 223 H N -1.040 118.009 119.070 -0.035 0.000 2.966 223 H HA 0.629 5.184 4.556 -0.001 0.000 0.330 223 H C -0.562 174.772 175.328 0.011 0.000 1.292 223 H CA -0.937 55.069 56.048 -0.071 0.000 1.127 223 H CB 0.888 30.622 29.762 -0.047 0.000 1.863 223 H HN 0.326 nan 8.280 nan 0.000 0.543 224 I N -1.956 118.665 120.570 0.085 0.000 3.457 224 I HA 0.760 4.929 4.170 -0.001 0.000 0.307 224 I C 0.092 176.267 176.117 0.096 0.000 1.138 224 I CA -1.506 59.838 61.300 0.074 0.000 0.974 224 I CB 2.061 40.087 38.000 0.044 0.000 1.324 224 I HN 0.658 nan 8.210 nan 0.000 0.485 225 G N 0.684 109.532 108.800 0.081 0.000 2.420 225 G HA2 0.286 4.245 3.960 -0.001 0.000 0.284 225 G HA3 0.286 4.245 3.960 -0.001 0.000 0.284 225 G C 0.459 175.380 174.900 0.034 0.000 1.177 225 G CA -0.559 44.589 45.100 0.079 0.000 0.841 225 G HN 0.929 nan 8.290 nan 0.000 0.527 226 K N -0.019 120.361 120.400 -0.035 0.000 2.360 226 K HA -0.098 4.221 4.320 -0.001 0.000 0.201 226 K C 0.742 177.235 176.600 -0.179 0.000 1.046 226 K CA 1.074 57.295 56.287 -0.111 0.000 0.945 226 K CB 0.012 32.419 32.500 -0.155 0.000 0.750 226 K HN 0.484 nan 8.250 nan 0.000 0.464 227 H N 0.177 119.298 119.070 0.085 0.000 2.517 227 H HA 0.070 4.625 4.556 -0.001 0.000 0.282 227 H C -0.073 175.290 175.328 0.057 0.000 1.023 227 H CA -0.197 55.894 56.048 0.071 0.000 1.169 227 H CB -0.339 29.452 29.762 0.047 0.000 1.454 227 H HN 0.274 nan 8.280 nan 0.000 0.556 228 H N 1.592 120.665 119.070 0.005 0.000 2.972 228 H HA -0.130 4.425 4.556 -0.001 0.000 0.343 228 H C 1.268 176.531 175.328 -0.108 0.000 1.054 228 H CA 0.178 56.135 56.048 -0.152 0.000 1.412 228 H CB 0.481 30.053 29.762 -0.316 0.000 1.385 228 H HN 0.490 nan 8.280 nan 0.000 0.600 229 W N 4.201 125.407 121.300 -0.157 0.000 2.387 229 W HA -0.112 4.547 4.660 -0.001 0.000 0.272 229 W C 0.218 176.848 176.519 0.184 0.000 1.224 229 W CA -0.714 56.628 57.345 -0.004 0.000 1.210 229 W CB -0.936 28.450 29.460 -0.123 0.000 1.125 229 W HN 0.373 nan 8.180 nan 0.000 0.572 233 D N 1.360 121.874 120.400 0.191 0.000 3.117 233 D HA 0.178 4.817 4.640 -0.001 0.000 0.241 233 D C -1.213 175.167 176.300 0.133 0.000 1.385 233 D CA -0.221 53.905 54.000 0.210 0.000 0.855 233 D CB 0.357 41.352 40.800 0.325 0.000 1.498 233 D HN 0.002 nan 8.370 nan 0.000 0.584 234 L N 2.309 123.532 121.223 0.000 0.000 2.584 234 L HA 0.165 4.505 4.340 -0.001 0.000 0.272 234 L C -1.040 175.586 176.870 -0.406 0.000 1.195 234 L CA -0.909 53.800 54.840 -0.219 0.000 0.920 234 L CB 0.618 42.616 42.059 -0.103 0.000 1.173 234 L HN 0.193 nan 8.230 nan 0.000 0.489 235 P HA -0.123 nan 4.420 nan 0.000 0.216 235 P C 0.183 177.159 177.300 -0.539 0.000 1.153 235 P CA 1.243 63.520 63.100 -1.372 0.000 0.858 235 P CB 0.116 30.414 31.700 -2.337 0.000 0.789 236 T N -8.115 106.245 114.554 -0.322 0.000 2.843 236 T HA 0.437 4.787 4.350 -0.001 0.000 0.302 236 T C -2.596 172.093 174.700 -0.017 0.000 1.232 236 T CA -1.995 60.061 62.100 -0.073 0.000 1.009 236 T CB 1.503 70.387 68.868 0.027 0.000 1.254 236 T HN -0.302 nan 8.240 nan 0.000 0.504 237 P HA 0.058 nan 4.420 nan 0.000 0.222 237 P C 0.367 177.675 177.300 0.013 0.000 1.147 237 P CA 0.998 64.105 63.100 0.012 0.000 0.790 237 P CB -0.071 31.634 31.700 0.008 0.000 0.780 238 D N -2.704 117.697 120.400 0.003 0.000 2.772 238 D HA -0.030 4.609 4.640 -0.001 0.000 0.272 238 D C 0.891 177.153 176.300 -0.062 0.000 1.314 238 D CA -0.728 53.248 54.000 -0.040 0.000 0.835 238 D CB -1.219 39.535 40.800 -0.075 0.000 1.080 238 D HN 0.213 nan 8.370 nan 0.000 0.482 239 W N 1.692 122.848 121.300 -0.240 0.000 2.453 239 W HA 0.150 4.809 4.660 -0.002 0.000 0.289 239 W C 0.255 176.594 176.519 -0.300 0.000 1.215 239 W CA 0.426 57.564 57.345 -0.345 0.000 1.297 239 W CB 0.449 29.630 29.460 -0.465 0.000 1.113 239 W HN 0.045 nan 8.180 nan 0.000 0.551 240 I N -0.809 119.744 120.570 -0.027 0.000 2.797 240 I HA 0.419 4.588 4.170 -0.001 0.000 0.307 240 I C -0.757 175.339 176.117 -0.036 0.000 1.033 240 I CA -0.994 60.261 61.300 -0.074 0.000 1.071 240 I CB 1.536 39.548 38.000 0.020 0.000 1.255 240 I HN -0.211 nan 8.210 nan 0.000 0.445 241 N N 2.623 121.297 118.700 -0.042 0.000 2.530 241 N HA 0.299 5.038 4.740 -0.001 0.000 0.277 241 N C -1.343 174.308 175.510 0.235 0.000 1.168 241 N CA -0.317 52.667 53.050 -0.109 0.000 0.979 241 N CB 0.162 38.474 38.487 -0.291 0.000 1.141 241 N HN 0.605 nan 8.380 nan 0.000 0.459 242 Y N -0.727 119.682 120.300 0.182 0.000 2.981 242 Y HA -0.223 4.326 4.550 -0.001 0.000 0.204 242 Y C 1.572 177.538 175.900 0.110 0.000 1.265 242 Y CA 0.339 58.486 58.100 0.079 0.000 0.941 242 Y CB -2.144 36.265 38.460 -0.085 0.000 1.254 242 Y HN 0.839 nan 8.280 nan 0.000 0.469 243 G N 0.014 108.990 108.800 0.293 0.000 2.422 243 G HA2 0.001 3.960 3.960 -0.001 0.000 0.218 243 G HA3 0.001 3.960 3.960 -0.001 0.000 0.218 243 G C 1.560 176.534 174.900 0.124 0.000 1.146 243 G CA 0.643 45.913 45.100 0.283 0.000 0.769 243 G HN 0.835 nan 8.290 nan 0.000 0.547 244 G N 1.036 109.885 108.800 0.080 0.000 2.609 244 G HA2 0.076 4.035 3.960 -0.001 0.000 0.167 244 G HA3 0.076 4.035 3.960 -0.001 0.000 0.167 244 G C 0.715 175.598 174.900 -0.028 0.000 1.668 244 G CA 0.505 45.623 45.100 0.030 0.000 0.886 244 G HN 0.687 nan 8.290 nan 0.000 0.378 245 K N -0.202 120.169 120.400 -0.047 0.000 2.485 245 K HA 0.084 4.403 4.320 -0.001 0.000 0.277 245 K C -0.651 175.845 176.600 -0.174 0.000 0.990 245 K CA -0.537 55.698 56.287 -0.087 0.000 0.994 245 K CB 0.475 32.913 32.500 -0.103 0.000 0.906 245 K HN 0.085 nan 8.250 nan 0.000 0.488 246 F N 3.774 123.520 119.950 -0.340 0.000 2.504 246 F HA 0.190 4.717 4.527 -0.001 0.000 0.369 246 F C -0.820 174.678 175.800 -0.503 0.000 1.082 246 F CA -0.548 57.142 58.000 -0.517 0.000 1.216 246 F CB 0.674 39.453 39.000 -0.368 0.000 1.108 246 F HN 0.233 nan 8.300 nan 0.000 0.554 247 V N 9.121 128.301 119.914 -1.224 0.000 2.305 247 V HA 0.307 4.426 4.120 -0.001 0.000 0.275 247 V C -2.155 173.226 176.094 -1.188 0.000 1.020 247 V CA -1.600 60.010 62.300 -1.151 0.000 0.811 247 V CB 0.965 31.944 31.823 -1.407 0.000 1.031 247 V HN 0.639 nan 8.190 nan 0.000 0.439 248 P HA 0.176 nan 4.420 nan 0.000 0.278 248 P C 0.057 177.085 177.300 -0.454 0.000 1.238 248 P CA 0.048 62.667 63.100 -0.801 0.000 0.794 248 P CB 1.117 32.475 31.700 -0.569 0.000 0.955 249 T N 1.634 115.955 114.554 -0.389 0.000 2.899 249 T HA 0.061 4.410 4.350 -0.001 0.000 0.295 249 T C 1.035 175.477 174.700 -0.430 0.000 1.033 249 T CA -0.164 61.690 62.100 -0.410 0.000 1.084 249 T CB -0.031 68.492 68.868 -0.575 0.000 0.979 249 T HN 0.236 nan 8.240 nan 0.000 0.532 250 Q N 1.810 121.419 119.800 -0.318 0.000 2.247 250 Q HA 0.107 4.446 4.340 -0.001 0.000 0.204 250 Q C 0.006 175.831 176.000 -0.291 0.000 0.872 250 Q CA 0.148 55.779 55.803 -0.287 0.000 0.951 250 Q CB -0.195 28.337 28.738 -0.343 0.000 1.099 250 Q HN 1.031 nan 8.270 nan 0.000 0.501 251 H N -1.145 117.876 119.070 -0.082 0.000 2.862 251 H HA -0.160 4.396 4.556 -0.001 0.000 0.290 251 H C -0.716 174.604 175.328 -0.014 0.000 1.211 251 H CA 0.609 56.762 56.048 0.175 0.000 1.140 251 H CB -2.572 27.276 29.762 0.143 0.000 1.341 251 H HN 0.434 nan 8.280 nan 0.000 0.392 252 H N 0.934 120.092 119.070 0.145 0.000 3.045 252 H HA 0.093 4.649 4.556 -0.001 0.000 0.254 252 H C 1.642 176.661 175.328 -0.515 0.000 1.747 252 H CA -0.040 55.951 56.048 -0.094 0.000 1.444 252 H CB 0.370 30.108 29.762 -0.040 0.000 1.778 252 H HN 0.516 nan 8.280 nan 0.000 0.544 253 R N 0.544 120.620 120.500 -0.706 0.000 2.120 253 R HA -0.126 4.213 4.340 -0.001 0.000 0.234 253 R C 1.627 177.547 176.300 -0.634 0.000 1.123 253 R CA 1.579 56.848 56.100 -1.385 0.000 0.975 253 R CB -0.565 29.335 30.300 -0.666 0.000 0.866 253 R HN 0.445 nan 8.270 nan 0.000 0.446 254 V N -1.411 118.329 119.914 -0.290 0.000 2.970 254 V HA 0.135 4.254 4.120 -0.001 0.000 0.260 254 V C 2.342 178.353 176.094 -0.139 0.000 1.100 254 V CA 1.165 63.371 62.300 -0.156 0.000 1.122 254 V CB -0.411 31.364 31.823 -0.080 0.000 0.721 254 V HN 0.348 nan 8.190 nan 0.000 0.483 255 A N 1.324 124.049 122.820 -0.158 0.000 2.070 255 A HA -0.045 4.274 4.320 -0.001 0.000 0.220 255 A C 2.238 179.787 177.584 -0.058 0.000 1.159 255 A CA 2.009 54.000 52.037 -0.076 0.000 0.656 255 A CB -0.743 18.241 19.000 -0.027 0.000 0.800 255 A HN 1.256 nan 8.150 nan 0.000 0.453 256 V N -2.382 117.476 119.914 -0.093 0.000 3.541 256 V HA 0.055 4.174 4.120 -0.001 0.000 0.267 256 V C 0.749 176.771 176.094 -0.121 0.000 1.213 256 V CA 1.019 63.285 62.300 -0.058 0.000 1.149 256 V CB -1.006 30.831 31.823 0.023 0.000 0.822 256 V HN 0.774 nan 8.190 nan 0.000 0.462 257 Q N 0.422 120.165 119.800 -0.095 0.000 3.007 257 Q HA 0.491 4.830 4.340 -0.001 0.000 0.321 257 Q C -1.080 174.972 176.000 0.088 0.000 0.784 257 Q CA -0.307 55.476 55.803 -0.034 0.000 0.990 257 Q CB 0.661 29.301 28.738 -0.163 0.000 1.493 257 Q HN 0.476 nan 8.270 nan 0.000 0.382 258 D N 0.851 121.307 120.400 0.094 0.000 2.970 258 D HA 0.325 4.964 4.640 -0.001 0.000 0.230 258 D C -2.218 174.058 176.300 -0.040 0.000 1.276 258 D CA -1.964 52.020 54.000 -0.027 0.000 0.910 258 D CB 2.329 43.101 40.800 -0.047 0.000 1.590 258 D HN -0.062 nan 8.370 nan 0.000 0.551 259 P HA -0.040 nan 4.420 nan 0.000 0.220 259 P C 0.236 177.327 177.300 -0.348 0.000 1.148 259 P CA 0.983 63.872 63.100 -0.353 0.000 0.803 259 P CB 0.032 31.262 31.700 -0.783 0.000 0.782 260 Y N -1.145 119.143 120.300 -0.021 0.000 2.524 260 Y HA 0.495 5.044 4.550 -0.001 0.000 0.266 260 Y C 1.197 177.082 175.900 -0.025 0.000 1.180 260 Y CA -1.382 56.703 58.100 -0.025 0.000 1.244 260 Y CB -1.138 37.296 38.460 -0.044 0.000 1.125 260 Y HN -0.159 nan 8.280 nan 0.000 0.524 261 A N 1.142 124.003 122.820 0.068 0.000 2.483 261 A HA 0.585 4.905 4.320 -0.001 0.000 0.238 261 A C 0.517 178.120 177.584 0.033 0.000 1.070 261 A CA 0.071 52.129 52.037 0.035 0.000 0.770 261 A CB -0.030 18.977 19.000 0.011 0.000 1.008 261 A HN 0.379 nan 8.150 nan 0.000 0.497 262 A N 1.225 124.054 122.820 0.015 0.000 2.301 262 A HA 0.447 4.766 4.320 -0.001 0.000 0.312 262 A C 0.887 178.483 177.584 0.020 0.000 1.182 262 A CA -0.394 51.652 52.037 0.014 0.000 0.826 262 A CB 0.481 19.480 19.000 -0.000 0.000 1.134 262 A HN 0.982 nan 8.150 nan 0.000 0.501 263 Q N 1.519 121.333 119.800 0.023 0.000 2.152 263 Q HA -0.268 4.071 4.340 -0.001 0.000 0.206 263 Q C 2.283 178.307 176.000 0.040 0.000 0.985 263 Q CA 1.993 57.813 55.803 0.029 0.000 0.863 263 Q CB -0.239 28.514 28.738 0.025 0.000 0.904 263 Q HN 0.966 nan 8.270 nan 0.000 0.422 264 A N 1.167 124.008 122.820 0.035 0.000 1.908 264 A HA -0.249 4.070 4.320 -0.001 0.000 0.218 264 A C 1.604 179.228 177.584 0.067 0.000 1.181 264 A CA 1.972 54.036 52.037 0.045 0.000 0.627 264 A CB -0.456 18.560 19.000 0.027 0.000 0.818 264 A HN 0.314 nan 8.150 nan 0.000 0.445 265 D N -0.896 119.543 120.400 0.064 0.000 2.123 265 D HA -0.079 4.560 4.640 -0.001 0.000 0.200 265 D C 2.305 178.687 176.300 0.136 0.000 0.976 265 D CA 1.466 55.533 54.000 0.113 0.000 0.831 265 D CB -0.391 40.438 40.800 0.048 0.000 0.974 265 D HN 0.408 nan 8.370 nan 0.000 0.469 266 S N 0.383 116.139 115.700 0.093 0.000 2.348 266 S HA -0.183 4.286 4.470 -0.001 0.000 0.221 266 S C 1.793 176.477 174.600 0.140 0.000 1.033 266 S CA 1.271 59.536 58.200 0.107 0.000 1.010 266 S CB -0.091 63.146 63.200 0.062 0.000 0.891 266 S HN 0.196 nan 8.310 nan 0.000 0.442 267 E N 0.928 121.190 120.200 0.103 0.000 2.077 267 E HA -0.158 4.191 4.350 -0.001 0.000 0.193 267 E C 2.189 178.867 176.600 0.130 0.000 0.989 267 E CA 1.020 57.478 56.400 0.097 0.000 0.800 267 E CB -0.296 29.454 29.700 0.083 0.000 0.746 267 E HN 0.595 nan 8.360 nan 0.000 0.452 268 N N 0.324 119.106 118.700 0.137 0.000 2.166 268 N HA -0.185 4.554 4.740 -0.001 0.000 0.186 268 N C 1.778 177.343 175.510 0.091 0.000 1.019 268 N CA 0.824 53.941 53.050 0.111 0.000 0.856 268 N CB -0.088 38.445 38.487 0.077 0.000 0.993 268 N HN 0.075 nan 8.380 nan 0.000 0.426 269 F N 1.847 121.779 119.950 -0.030 0.000 2.113 269 F HA -0.102 4.424 4.527 -0.001 0.000 0.297 269 F C 2.641 178.400 175.800 -0.069 0.000 1.103 269 F CA 2.004 59.945 58.000 -0.098 0.000 1.248 269 F CB -0.764 38.170 39.000 -0.111 0.000 0.999 269 F HN 0.101 nan 8.300 nan 0.000 0.475 270 T N -3.428 111.109 114.554 -0.029 0.000 3.065 270 T HA 0.095 4.444 4.350 -0.001 0.000 0.252 270 T C 1.544 176.193 174.700 -0.084 0.000 1.099 270 T CA 0.520 62.558 62.100 -0.104 0.000 1.063 270 T CB -0.081 68.790 68.868 0.006 0.000 0.948 270 T HN 0.241 nan 8.240 nan 0.000 0.506 271 K N 0.603 120.993 120.400 -0.018 0.000 2.391 271 K HA 0.349 4.668 4.320 -0.001 0.000 0.197 271 K C 1.315 178.053 176.600 0.231 0.000 1.087 271 K CA -0.109 56.184 56.287 0.009 0.000 1.012 271 K CB 0.597 33.045 32.500 -0.087 0.000 0.925 271 K HN 0.359 nan 8.250 nan 0.000 0.547 272 G N 0.989 109.897 108.800 0.180 0.000 2.544 272 G HA2 0.082 4.041 3.960 -0.001 0.000 0.242 272 G HA3 0.082 4.041 3.960 -0.001 0.000 0.242 272 G C -0.928 174.033 174.900 0.103 0.000 1.247 272 G CA -0.386 44.792 45.100 0.130 0.000 0.840 272 G HN 0.025 nan 8.290 nan 0.000 0.578 273 W N 0.819 121.981 121.300 -0.230 0.000 2.375 273 W HA 0.567 5.226 4.660 -0.001 0.000 0.336 273 W C 0.770 177.126 176.519 -0.271 0.000 1.160 273 W CA -1.129 56.126 57.345 -0.150 0.000 1.266 273 W CB 0.417 29.980 29.460 0.172 0.000 1.195 273 W HN 0.455 nan 8.180 nan 0.000 0.599 274 F N 0.831 120.814 119.950 0.055 0.000 2.128 274 F HA 0.002 4.528 4.527 -0.001 0.000 0.295 274 F C 1.093 176.991 175.800 0.164 0.000 1.100 274 F CA 1.392 59.370 58.000 -0.037 0.000 1.260 274 F CB -0.659 38.178 39.000 -0.271 0.000 1.009 274 F HN -0.034 nan 8.300 nan 0.000 0.476 275 V N -3.389 116.793 119.914 0.447 0.000 3.188 275 V HA 0.313 4.433 4.120 -0.001 0.000 0.305 275 V C 0.479 176.779 176.094 0.344 0.000 1.232 275 V CA -1.086 61.430 62.300 0.361 0.000 1.043 275 V CB 1.640 33.561 31.823 0.164 0.000 1.068 275 V HN 0.110 nan 8.190 nan 0.000 0.439 276 E N 1.350 121.405 120.200 -0.243 0.000 2.331 276 E HA 0.009 4.358 4.350 -0.001 0.000 0.199 276 E C 0.975 177.663 176.600 0.146 0.000 1.008 276 E CA 1.234 57.413 56.400 -0.368 0.000 0.843 276 E CB -0.570 28.603 29.700 -0.878 0.000 0.761 276 E HN 1.036 nan 8.360 nan 0.000 0.507 280 D N 1.174 120.803 120.400 -1.285 0.000 2.277 280 D HA 0.335 4.974 4.640 -0.001 0.000 0.249 280 D C -0.251 175.845 176.300 -0.340 0.000 1.134 280 D CA -0.304 53.379 54.000 -0.529 0.000 0.863 280 D CB 0.679 41.266 40.800 -0.355 0.000 1.143 280 D HN 0.234 nan 8.370 nan 0.000 0.458 281 L N 3.702 124.759 121.223 -0.277 0.000 2.416 281 L HA 0.139 4.478 4.340 -0.001 0.000 0.272 281 L C 0.650 177.283 176.870 -0.395 0.000 1.161 281 L CA -0.401 54.225 54.840 -0.356 0.000 0.845 281 L CB 0.413 42.249 42.059 -0.371 0.000 1.119 281 L HN 0.495 nan 8.230 nan 0.000 0.464 282 N N 2.869 121.294 118.700 -0.457 0.000 2.605 282 N HA 0.030 4.769 4.740 -0.001 0.000 0.258 282 N C 0.550 175.768 175.510 -0.487 0.000 1.156 282 N CA 0.152 52.956 53.050 -0.410 0.000 1.008 282 N CB 0.602 38.875 38.487 -0.356 0.000 1.354 282 N HN 0.517 nan 8.380 nan 0.000 0.509 283 Q N 0.254 119.778 119.800 -0.460 0.000 2.488 283 Q HA -0.048 4.292 4.340 -0.001 0.000 0.211 283 Q C 1.319 177.140 176.000 -0.298 0.000 0.967 283 Q CA 1.097 56.578 55.803 -0.538 0.000 0.926 283 Q CB 0.208 28.477 28.738 -0.782 0.000 0.992 283 Q HN 0.716 nan 8.270 nan 0.000 0.506 284 T N -2.293 112.127 114.554 -0.224 0.000 3.088 284 T HA -0.027 4.322 4.350 -0.001 0.000 0.259 284 T C 0.804 175.403 174.700 -0.169 0.000 1.122 284 T CA -0.138 61.882 62.100 -0.134 0.000 1.095 284 T CB -0.008 68.798 68.868 -0.103 0.000 0.930 284 T HN 0.003 nan 8.240 nan 0.000 0.508 285 N N 2.769 121.308 118.700 -0.268 0.000 2.420 285 N HA 0.194 4.933 4.740 -0.001 0.000 0.262 285 N C -2.036 173.300 175.510 -0.290 0.000 1.144 285 N CA -2.206 50.668 53.050 -0.293 0.000 0.952 285 N CB 1.750 39.988 38.487 -0.416 0.000 1.081 285 N HN 0.002 nan 8.380 nan 0.000 0.480 286 P HA -0.093 nan 4.420 nan 0.000 0.218 286 P C 1.402 178.594 177.300 -0.180 0.000 1.148 286 P CA 1.086 64.100 63.100 -0.143 0.000 0.822 286 P CB 0.301 31.936 31.700 -0.107 0.000 0.784 287 L N -1.590 119.463 121.223 -0.284 0.000 2.083 287 L HA -0.126 4.213 4.340 -0.001 0.000 0.209 287 L C 2.340 179.050 176.870 -0.267 0.000 1.083 287 L CA 1.194 55.860 54.840 -0.290 0.000 0.752 287 L CB -1.186 40.602 42.059 -0.452 0.000 0.899 287 L HN -0.124 nan 8.230 nan 0.000 0.433 288 V N 0.213 119.731 119.914 -0.659 0.000 2.307 288 V HA -0.236 3.883 4.120 -0.001 0.000 0.245 288 V C 2.829 178.741 176.094 -0.304 0.000 1.045 288 V CA 1.708 63.521 62.300 -0.811 0.000 1.024 288 V CB -0.842 30.270 31.823 -1.185 0.000 0.651 288 V HN 0.451 nan 8.190 nan 0.000 0.449 289 A N 0.402 123.088 122.820 -0.222 0.000 1.873 289 A HA -0.329 3.991 4.320 -0.001 0.000 0.218 289 A C 2.043 179.761 177.584 0.222 0.000 1.193 289 A CA 2.653 54.733 52.037 0.071 0.000 0.629 289 A CB -0.963 18.148 19.000 0.186 0.000 0.826 289 A HN 0.629 nan 8.150 nan 0.000 0.447 290 N N -2.162 116.612 118.700 0.124 0.000 2.166 290 N HA -0.173 4.566 4.740 -0.001 0.000 0.186 290 N C 1.598 177.223 175.510 0.192 0.000 1.019 290 N CA 1.553 54.684 53.050 0.136 0.000 0.856 290 N CB -0.346 38.197 38.487 0.092 0.000 0.993 290 N HN 0.626 nan 8.380 nan 0.000 0.426 291 Y N 1.125 121.503 120.300 0.131 0.000 2.128 291 Y HA -0.167 4.382 4.550 -0.002 0.000 0.284 291 Y C 1.742 177.773 175.900 0.217 0.000 1.154 291 Y CA 1.520 59.754 58.100 0.222 0.000 1.149 291 Y CB -0.263 38.360 38.460 0.272 0.000 0.976 291 Y HN 0.034 nan 8.280 nan 0.000 0.505 292 L N -0.567 120.844 121.223 0.313 0.000 2.056 292 L HA -0.206 4.133 4.340 -0.001 0.000 0.207 292 L C 2.409 179.483 176.870 0.340 0.000 1.078 292 L CA 1.349 56.347 54.840 0.263 0.000 0.749 292 L CB -0.553 41.654 42.059 0.246 0.000 0.901 292 L HN 0.262 nan 8.230 nan 0.000 0.433 293 I N -0.505 120.296 120.570 0.386 0.000 2.179 293 I HA -0.323 3.846 4.170 -0.001 0.000 0.242 293 I C 2.673 178.942 176.117 0.253 0.000 1.088 293 I CA 1.418 62.912 61.300 0.323 0.000 1.357 293 I CB -0.306 37.806 38.000 0.186 0.000 1.051 293 I HN 0.314 nan 8.210 nan 0.000 0.409 294 Q N 0.247 120.169 119.800 0.204 0.000 2.124 294 Q HA -0.237 4.102 4.340 -0.001 0.000 0.202 294 Q C 2.104 178.354 176.000 0.417 0.000 0.977 294 Q CA 1.628 57.605 55.803 0.291 0.000 0.850 294 Q CB -0.395 28.383 28.738 0.066 0.000 0.901 294 Q HN 0.533 nan 8.270 nan 0.000 0.429 295 N N 0.756 119.562 118.700 0.177 0.000 2.120 295 N HA -0.168 4.571 4.740 -0.001 0.000 0.188 295 N C 1.217 176.934 175.510 0.346 0.000 1.024 295 N CA 1.247 54.322 53.050 0.042 0.000 0.852 295 N CB 0.049 38.344 38.487 -0.320 0.000 1.003 295 N HN 0.185 nan 8.380 nan 0.000 0.424 296 N N 0.940 119.882 118.700 0.403 0.000 2.188 296 N HA 0.013 4.752 4.740 -0.001 0.000 0.184 296 N C 1.867 177.638 175.510 0.435 0.000 1.018 296 N CA 0.520 53.858 53.050 0.481 0.000 0.858 296 N CB -0.201 38.574 38.487 0.480 0.000 0.989 296 N HN 0.364 nan 8.380 nan 0.000 0.426 297 I N -0.897 119.918 120.570 0.409 0.000 2.252 297 I HA -0.230 3.939 4.170 -0.001 0.000 0.245 297 I C 2.142 178.448 176.117 0.315 0.000 1.102 297 I CA 0.771 62.293 61.300 0.370 0.000 1.385 297 I CB -0.168 38.072 38.000 0.400 0.000 1.064 297 I HN 0.218 nan 8.210 nan 0.000 0.414 298 W N 1.115 122.600 121.300 0.308 0.000 2.318 298 W HA -0.265 4.394 4.660 -0.002 0.000 0.313 298 W C 2.193 178.864 176.519 0.254 0.000 1.221 298 W CA 1.625 59.159 57.345 0.315 0.000 1.266 298 W CB -0.607 29.098 29.460 0.408 0.000 1.150 298 W HN 0.095 nan 8.180 nan 0.000 0.496 299 W N 0.107 121.722 121.300 0.525 0.000 2.358 299 W HA -0.180 4.478 4.660 -0.003 0.000 0.303 299 W C 2.371 178.967 176.519 0.129 0.000 1.208 299 W CA 1.397 58.961 57.345 0.366 0.000 1.274 299 W CB -0.818 28.884 29.460 0.404 0.000 1.138 299 W HN -0.177 nan 8.180 nan 0.000 0.515 300 I N -0.093 120.634 120.570 0.263 0.000 2.127 300 I HA -0.317 3.852 4.170 -0.001 0.000 0.241 300 I C 2.391 178.396 176.117 -0.186 0.000 1.075 300 I CA 1.716 62.987 61.300 -0.048 0.000 1.334 300 I CB -0.556 37.265 38.000 -0.299 0.000 1.040 300 I HN -0.082 nan 8.210 nan 0.000 0.405 301 E N 0.253 120.282 120.200 -0.286 0.000 2.072 301 E HA -0.267 4.082 4.350 -0.001 0.000 0.191 301 E C 2.095 178.500 176.600 -0.325 0.000 0.985 301 E CA 1.411 57.477 56.400 -0.557 0.000 0.801 301 E CB -0.356 28.501 29.700 -1.406 0.000 0.750 301 E HN 0.467 nan 8.360 nan 0.000 0.452 302 Y N 0.069 120.180 120.300 -0.315 0.000 2.163 302 Y HA -0.026 4.523 4.550 -0.002 0.000 0.288 302 Y C 1.789 177.691 175.900 0.004 0.000 1.136 302 Y CA 1.797 59.844 58.100 -0.087 0.000 1.147 302 Y CB -0.482 37.619 38.460 -0.598 0.000 0.987 302 Y HN 0.080 nan 8.280 nan 0.000 0.509 303 A N -0.727 122.056 122.820 -0.061 0.000 2.308 303 A HA 0.408 4.728 4.320 -0.001 0.000 0.217 303 A C 1.557 179.032 177.584 -0.181 0.000 1.216 303 A CA 0.437 52.381 52.037 -0.155 0.000 0.864 303 A CB -1.163 17.916 19.000 0.133 0.000 0.902 303 A HN 0.874 nan 8.150 nan 0.000 0.499 304 G N 0.161 108.869 108.800 -0.152 0.000 2.338 304 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.296 304 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.296 304 G C 0.035 174.845 174.900 -0.150 0.000 1.040 304 G CA 0.426 45.432 45.100 -0.157 0.000 1.004 304 G HN 0.480 nan 8.290 nan 0.000 0.509 305 L N -0.052 121.088 121.223 -0.139 0.000 2.452 305 L HA 0.404 4.744 4.340 -0.001 0.000 0.267 305 L C 1.820 178.620 176.870 -0.116 0.000 1.188 305 L CA 0.316 55.092 54.840 -0.106 0.000 0.821 305 L CB 1.226 43.259 42.059 -0.044 0.000 1.102 305 L HN 0.428 nan 8.230 nan 0.000 0.470 306 S N -0.602 115.073 115.700 -0.042 0.000 2.540 306 S HA 0.436 4.906 4.470 -0.001 0.000 0.218 306 S C 0.386 175.042 174.600 0.093 0.000 0.977 306 S CA 0.090 58.293 58.200 0.005 0.000 0.918 306 S CB 0.351 63.589 63.200 0.062 0.000 0.806 306 S HN 0.966 nan 8.310 nan 0.000 0.496 307 G N 0.249 109.105 108.800 0.093 0.000 2.316 307 G HA2 0.422 4.382 3.960 -0.001 0.000 0.296 307 G HA3 0.422 4.382 3.960 -0.001 0.000 0.296 307 G C -2.139 172.848 174.900 0.145 0.000 1.399 307 G CA -1.023 44.191 45.100 0.191 0.000 0.833 307 G HN 0.274 nan 8.290 nan 0.000 0.565 308 L N 0.120 121.441 121.223 0.163 0.000 2.354 308 L HA 0.750 5.089 4.340 -0.001 0.000 0.264 308 L C -0.133 176.745 176.870 0.014 0.000 1.008 308 L CA -1.165 53.725 54.840 0.084 0.000 0.819 308 L CB 2.383 44.524 42.059 0.137 0.000 1.339 308 L HN 0.545 nan 8.230 nan 0.000 0.420 309 R N 2.921 123.335 120.500 -0.143 0.000 2.393 309 R HA 0.547 4.886 4.340 -0.001 0.000 0.315 309 R C -1.401 174.854 176.300 -0.075 0.000 0.952 309 R CA -0.512 55.418 56.100 -0.283 0.000 0.842 309 R CB 1.197 30.981 30.300 -0.860 0.000 1.163 309 R HN 0.608 nan 8.270 nan 0.000 0.450 310 I N 3.772 124.358 120.570 0.026 0.000 2.307 310 I HA 0.129 4.298 4.170 -0.001 0.000 0.289 310 I C 0.404 176.620 176.117 0.165 0.000 1.021 310 I CA -0.694 60.689 61.300 0.139 0.000 1.224 310 I CB 1.337 39.497 38.000 0.268 0.000 1.376 310 I HN 0.520 nan 8.210 nan 0.000 0.470 311 D N 4.446 124.948 120.400 0.169 0.000 2.368 311 D HA 0.033 4.673 4.640 -0.001 0.000 0.240 311 D C 0.612 177.021 176.300 0.183 0.000 1.169 311 D CA 0.412 54.527 54.000 0.192 0.000 0.906 311 D CB 0.762 41.715 40.800 0.255 0.000 1.187 311 D HN 0.772 nan 8.370 nan 0.000 0.435 312 T N 0.783 115.456 114.554 0.197 0.000 3.398 312 T HA -0.348 4.001 4.350 -0.001 0.000 0.408 312 T C 0.872 175.783 174.700 0.350 0.000 0.769 312 T CA 1.163 63.450 62.100 0.312 0.000 2.018 312 T CB -2.072 66.873 68.868 0.129 0.000 1.703 312 T HN 0.535 nan 8.240 nan 0.000 0.639 313 Y N 2.022 122.388 120.300 0.110 0.000 2.014 313 Y HA -0.075 4.474 4.550 -0.002 0.000 0.272 313 Y C 2.455 178.219 175.900 -0.226 0.000 1.164 313 Y CA 2.468 60.505 58.100 -0.104 0.000 1.114 313 Y CB -0.947 37.353 38.460 -0.267 0.000 0.961 313 Y HN 0.572 nan 8.280 nan 0.000 0.489 314 G N -2.484 106.157 108.800 -0.265 0.000 2.679 314 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.212 314 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.212 314 G C 0.976 175.812 174.900 -0.107 0.000 1.137 314 G CA 0.384 45.295 45.100 -0.315 0.000 0.787 314 G HN 0.548 nan 8.290 nan 0.000 0.534 315 Y N 0.902 121.069 120.300 -0.222 0.000 2.583 315 Y HA 0.219 4.769 4.550 -0.001 0.000 0.293 315 Y C 1.687 177.425 175.900 -0.271 0.000 1.157 315 Y CA -0.091 57.725 58.100 -0.473 0.000 1.315 315 Y CB 0.301 38.564 38.460 -0.329 0.000 1.021 315 Y HN 0.034 nan 8.280 nan 0.000 0.536 316 S N -0.042 115.607 115.700 -0.086 0.000 2.646 316 S HA 0.063 4.532 4.470 -0.001 0.000 0.276 316 S C -0.532 174.068 174.600 0.001 0.000 1.222 316 S CA -0.942 57.214 58.200 -0.072 0.000 1.014 316 S CB 0.637 63.806 63.200 -0.052 0.000 0.991 316 S HN 0.257 nan 8.310 nan 0.000 0.533 317 D N 0.858 121.275 120.400 0.029 0.000 2.493 317 D HA 0.203 4.843 4.640 -0.001 0.000 0.240 317 D C 1.409 177.837 176.300 0.214 0.000 1.142 317 D CA 0.558 54.617 54.000 0.099 0.000 0.872 317 D CB 0.521 41.355 40.800 0.058 0.000 1.173 317 D HN 0.495 nan 8.370 nan 0.000 0.467 318 G N 3.017 111.950 108.800 0.222 0.000 2.440 318 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.218 318 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.218 318 G C 1.436 176.594 174.900 0.430 0.000 1.154 318 G CA 0.841 46.143 45.100 0.336 0.000 0.767 318 G HN 0.638 nan 8.290 nan 0.000 0.552 319 A N 0.385 123.383 122.820 0.296 0.000 1.930 319 A HA 0.097 4.416 4.320 -0.001 0.000 0.217 319 A C 2.158 179.861 177.584 0.198 0.000 1.175 319 A CA 1.583 53.756 52.037 0.227 0.000 0.627 319 A CB -0.538 18.552 19.000 0.150 0.000 0.815 319 A HN 0.461 nan 8.150 nan 0.000 0.443 320 F N 0.842 120.844 119.950 0.087 0.000 2.095 320 F HA -0.163 4.363 4.527 -0.002 0.000 0.298 320 F C 1.811 177.682 175.800 0.118 0.000 1.104 320 F CA 1.785 59.820 58.000 0.059 0.000 1.232 320 F CB -0.415 38.574 39.000 -0.018 0.000 0.987 320 F HN 0.140 nan 8.300 nan 0.000 0.475 321 L N -0.255 120.921 121.223 -0.078 0.000 2.079 321 L HA -0.245 4.094 4.340 -0.001 0.000 0.210 321 L C 2.380 179.299 176.870 0.082 0.000 1.081 321 L CA 1.810 56.585 54.840 -0.107 0.000 0.752 321 L CB -1.285 40.815 42.059 0.068 0.000 0.896 321 L HN 0.189 nan 8.230 nan 0.000 0.433 322 T N -0.976 113.672 114.554 0.157 0.000 2.652 322 T HA -0.245 4.104 4.350 -0.001 0.000 0.267 322 T C 1.797 176.511 174.700 0.024 0.000 1.039 322 T CA 1.772 63.926 62.100 0.090 0.000 1.153 322 T CB -0.149 68.721 68.868 0.004 0.000 0.863 322 T HN 0.259 nan 8.240 nan 0.000 0.428 323 E N 0.278 120.455 120.200 -0.039 0.000 2.072 323 E HA -0.118 4.231 4.350 -0.001 0.000 0.191 323 E C 1.872 178.396 176.600 -0.127 0.000 0.985 323 E CA 1.088 57.443 56.400 -0.076 0.000 0.801 323 E CB -0.508 29.168 29.700 -0.041 0.000 0.750 323 E HN 0.658 nan 8.360 nan 0.000 0.452 324 Y N 0.995 121.054 120.300 -0.402 0.000 2.114 324 Y HA -0.249 4.300 4.550 -0.002 0.000 0.284 324 Y C 2.444 178.257 175.900 -0.145 0.000 1.143 324 Y CA 2.951 60.829 58.100 -0.371 0.000 1.135 324 Y CB -0.911 37.108 38.460 -0.736 0.000 0.980 324 Y HN 0.238 nan 8.280 nan 0.000 0.499 325 T N -1.084 113.524 114.554 0.090 0.000 2.788 325 T HA -0.223 4.126 4.350 -0.001 0.000 0.268 325 T C 2.070 176.715 174.700 -0.093 0.000 1.044 325 T CA 1.464 63.611 62.100 0.077 0.000 1.139 325 T CB -0.606 68.439 68.868 0.295 0.000 0.867 325 T HN 0.437 nan 8.240 nan 0.000 0.454 326 R N 0.785 121.167 120.500 -0.196 0.000 2.083 326 R HA -0.081 4.258 4.340 -0.001 0.000 0.237 326 R C 2.807 178.916 176.300 -0.319 0.000 1.137 326 R CA 1.088 56.884 56.100 -0.506 0.000 0.951 326 R CB -0.145 29.891 30.300 -0.440 0.000 0.851 326 R HN 0.226 nan 8.270 nan 0.000 0.434 327 R N 0.476 120.833 120.500 -0.238 0.000 2.083 327 R HA -0.078 4.261 4.340 -0.001 0.000 0.237 327 R C 1.162 177.351 176.300 -0.185 0.000 1.137 327 R CA 0.747 56.729 56.100 -0.197 0.000 0.951 327 R CB -0.920 29.258 30.300 -0.203 0.000 0.851 327 R HN 0.130 nan 8.270 nan 0.000 0.434 331 E N -0.524 119.522 120.200 -0.257 0.000 2.112 331 E HA 0.031 4.380 4.350 -0.001 0.000 0.190 331 E C -0.540 175.627 176.600 -0.723 0.000 0.979 331 E CA 1.167 57.223 56.400 -0.574 0.000 0.814 331 E CB -0.070 29.089 29.700 -0.901 0.000 0.762 331 E HN 0.710 nan 8.360 nan 0.000 0.460 332 Y N 0.278 120.539 120.300 -0.066 0.000 2.662 332 Y HA 0.249 4.798 4.550 -0.001 0.000 0.358 332 Y C -1.779 174.086 175.900 -0.059 0.000 1.041 332 Y CA -2.255 55.804 58.100 -0.068 0.000 1.184 332 Y CB 1.233 39.647 38.460 -0.077 0.000 1.114 332 Y HN -0.039 nan 8.280 nan 0.000 0.650 333 P HA -0.102 nan 4.420 nan 0.000 0.225 333 P C 0.676 177.983 177.300 0.011 0.000 1.148 333 P CA 1.231 64.342 63.100 0.018 0.000 0.779 333 P CB 0.424 32.123 31.700 -0.001 0.000 0.780 334 R N -1.232 119.276 120.500 0.013 0.000 2.468 334 R HA 0.236 4.575 4.340 -0.001 0.000 0.280 334 R C 0.547 176.813 176.300 -0.057 0.000 0.963 334 R CA -0.702 55.382 56.100 -0.026 0.000 1.083 334 R CB -0.158 30.126 30.300 -0.026 0.000 1.200 334 R HN 0.191 nan 8.270 nan 0.000 0.541 335 L N 1.192 122.398 121.223 -0.028 0.000 2.464 335 L HA 0.136 4.475 4.340 -0.001 0.000 0.264 335 L C 0.254 177.018 176.870 -0.176 0.000 1.199 335 L CA 0.370 55.159 54.840 -0.084 0.000 0.818 335 L CB 0.463 42.509 42.059 -0.022 0.000 1.102 335 L HN -0.038 nan 8.230 nan 0.000 0.473 339 G N 3.646 112.339 108.800 -0.178 0.000 2.377 339 G HA2 0.551 4.510 3.960 -0.001 0.000 0.299 339 G HA3 0.551 4.510 3.960 -0.001 0.000 0.299 339 G C -0.486 174.373 174.900 -0.068 0.000 1.150 339 G CA -0.293 44.657 45.100 -0.250 0.000 0.847 339 G HN 0.898 nan 8.290 nan 0.000 0.501 340 E N 1.359 121.610 120.200 0.085 0.000 1.963 340 E HA 0.158 4.507 4.350 -0.001 0.000 0.274 340 E C -0.805 175.963 176.600 0.280 0.000 1.061 340 E CA -0.371 56.162 56.400 0.222 0.000 0.847 340 E CB 0.732 30.576 29.700 0.241 0.000 1.083 340 E HN 0.389 nan 8.360 nan 0.000 0.402 341 E N 5.520 125.887 120.200 0.278 0.000 2.063 341 E HA 0.056 4.406 4.350 -0.001 0.000 0.265 341 E C -1.309 175.422 176.600 0.218 0.000 0.919 341 E CA -0.603 55.953 56.400 0.261 0.000 0.756 341 E CB 0.313 30.153 29.700 0.234 0.000 1.120 341 E HN 0.436 nan 8.360 nan 0.000 0.414 342 W N 5.516 126.779 121.300 -0.063 0.000 2.351 342 W HA 0.353 5.012 4.660 -0.002 0.000 0.421 342 W C -0.748 175.632 176.519 -0.231 0.000 1.000 342 W CA -0.104 56.931 57.345 -0.517 0.000 1.610 342 W CB -0.059 29.140 29.460 -0.435 0.000 1.700 342 W HN 0.458 nan 8.180 nan 0.000 0.351 343 S N 2.753 118.499 115.700 0.078 0.000 2.533 343 S HA 0.290 4.759 4.470 -0.001 0.000 0.271 343 S C 0.562 175.276 174.600 0.191 0.000 1.143 343 S CA -0.219 58.099 58.200 0.196 0.000 0.891 343 S CB 1.227 64.543 63.200 0.192 0.000 1.105 343 S HN 0.291 nan 8.310 nan 0.000 0.468 344 T N 1.097 115.764 114.554 0.188 0.000 3.188 344 T HA 0.349 4.698 4.350 -0.001 0.000 0.250 344 T C 0.400 175.179 174.700 0.131 0.000 1.077 344 T CA -0.160 62.046 62.100 0.178 0.000 0.967 344 T CB -0.340 68.625 68.868 0.162 0.000 1.006 344 T HN 0.496 nan 8.240 nan 0.000 0.552 345 R N 0.684 121.254 120.500 0.118 0.000 2.229 345 R HA 0.473 4.812 4.340 -0.001 0.000 0.332 345 R C 0.834 177.168 176.300 0.056 0.000 0.989 345 R CA -0.460 55.681 56.100 0.068 0.000 0.842 345 R CB 1.583 31.910 30.300 0.045 0.000 1.119 345 R HN -0.014 nan 8.270 nan 0.000 0.456 346 V N 5.330 125.251 119.914 0.012 0.000 2.282 346 V HA -0.191 3.928 4.120 -0.001 0.000 0.249 346 V C -1.010 174.961 176.094 -0.205 0.000 1.057 346 V CA 1.828 64.085 62.300 -0.072 0.000 1.032 346 V CB -0.849 30.892 31.823 -0.136 0.000 0.645 346 V HN 0.674 nan 8.190 nan 0.000 0.447 347 P HA -0.078 nan 4.420 nan 0.000 0.218 347 P C 1.857 179.088 177.300 -0.115 0.000 1.149 347 P CA 1.112 64.106 63.100 -0.176 0.000 0.817 347 P CB -0.068 31.556 31.700 -0.127 0.000 0.785 348 V N -0.622 119.270 119.914 -0.036 0.000 2.358 348 V HA -0.160 3.960 4.120 -0.001 0.000 0.246 348 V C 2.444 178.623 176.094 0.142 0.000 1.047 348 V CA 1.600 63.918 62.300 0.030 0.000 1.035 348 V CB -1.041 30.829 31.823 0.077 0.000 0.658 348 V HN -0.030 nan 8.190 nan 0.000 0.452 349 V N 0.288 120.313 119.914 0.185 0.000 2.379 349 V HA -0.136 3.984 4.120 -0.001 0.000 0.245 349 V C 2.697 178.972 176.094 0.302 0.000 1.044 349 V CA 1.691 64.205 62.300 0.358 0.000 1.036 349 V CB -1.014 31.044 31.823 0.392 0.000 0.664 349 V HN 0.527 nan 8.190 nan 0.000 0.453 350 A N 0.102 122.907 122.820 -0.024 0.000 2.024 350 A HA -0.247 4.072 4.320 -0.001 0.000 0.220 350 A C 2.377 179.951 177.584 -0.017 0.000 1.164 350 A CA 1.701 53.646 52.037 -0.154 0.000 0.643 350 A CB -0.640 17.967 19.000 -0.655 0.000 0.806 350 A HN 0.390 nan 8.150 nan 0.000 0.451 351 R N -0.912 119.522 120.500 -0.110 0.000 2.133 351 R HA -0.219 4.120 4.340 -0.001 0.000 0.247 351 R C 1.505 177.716 176.300 -0.148 0.000 1.151 351 R CA 2.040 57.998 56.100 -0.236 0.000 0.971 351 R CB -0.416 29.556 30.300 -0.547 0.000 0.866 351 R HN 0.771 nan 8.270 nan 0.000 0.447 352 W N 0.736 122.132 121.300 0.160 0.000 3.139 352 W HA 0.144 4.803 4.660 -0.001 0.000 0.260 352 W C 0.978 177.592 176.519 0.157 0.000 1.312 352 W CA -0.504 56.977 57.345 0.226 0.000 1.606 352 W CB 0.187 29.753 29.460 0.177 0.000 1.118 352 W HN 0.124 nan 8.180 nan 0.000 0.675 353 Q N 2.353 122.330 119.800 0.294 0.000 2.327 353 Q HA 0.111 4.450 4.340 -0.001 0.000 0.254 353 Q C 0.831 176.900 176.000 0.115 0.000 0.952 353 Q CA -0.675 55.242 55.803 0.190 0.000 0.884 353 Q CB 0.707 29.563 28.738 0.197 0.000 1.224 353 Q HN 0.119 nan 8.270 nan 0.000 0.422 354 R N 1.961 122.497 120.500 0.060 0.000 2.640 354 R HA 0.180 4.519 4.340 -0.001 0.000 0.270 354 R C 0.580 176.855 176.300 -0.042 0.000 1.024 354 R CA 0.729 56.808 56.100 -0.035 0.000 1.085 354 R CB 0.017 30.270 30.300 -0.079 0.000 0.963 354 R HN 0.861 nan 8.270 nan 0.000 0.426 355 G N 1.537 110.285 108.800 -0.087 0.000 2.176 355 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.253 355 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.253 355 G C -0.052 174.833 174.900 -0.025 0.000 0.979 355 G CA 0.433 45.497 45.100 -0.060 0.000 0.641 355 G HN 0.731 nan 8.290 nan 0.000 0.530 356 K N 1.581 121.976 120.400 -0.007 0.000 2.383 356 K HA 0.648 4.967 4.320 -0.001 0.000 0.286 356 K C 0.636 177.231 176.600 -0.008 0.000 1.051 356 K CA 0.448 56.740 56.287 0.008 0.000 0.974 356 K CB 0.519 33.035 32.500 0.028 0.000 0.968 356 K HN 0.867 nan 8.250 nan 0.000 0.475 357 A N 5.328 128.146 122.820 -0.002 0.000 2.410 357 A HA 0.213 4.532 4.320 -0.001 0.000 0.292 357 A C -0.599 176.991 177.584 0.009 0.000 1.232 357 A CA -0.374 51.661 52.037 -0.003 0.000 0.893 357 A CB -0.593 18.411 19.000 0.006 0.000 1.131 357 A HN 0.933 nan 8.150 nan 0.000 0.530 358 N N 0.881 119.577 118.700 -0.006 0.000 2.456 358 N HA 0.451 5.190 4.740 -0.001 0.000 0.296 358 N C 0.718 176.214 175.510 -0.023 0.000 1.102 358 N CA -0.560 52.488 53.050 -0.003 0.000 0.924 358 N CB 0.860 39.318 38.487 -0.047 0.000 1.186 358 N HN 0.664 nan 8.380 nan 0.000 0.492 359 F N 0.654 120.571 119.950 -0.055 0.000 2.293 359 F HA -0.008 4.518 4.527 -0.001 0.000 0.300 359 F C 1.230 177.001 175.800 -0.047 0.000 1.086 359 F CA 0.698 58.665 58.000 -0.055 0.000 1.375 359 F CB -0.162 38.793 39.000 -0.076 0.000 1.045 359 F HN 0.406 nan 8.300 nan 0.000 0.516 360 D N -0.930 118.823 120.400 -1.078 0.000 2.363 360 D HA 0.213 4.853 4.640 -0.001 0.000 0.214 360 D C 1.819 177.917 176.300 -0.337 0.000 1.093 360 D CA 0.383 53.898 54.000 -0.807 0.000 0.837 360 D CB -0.126 40.039 40.800 -1.058 0.000 0.948 360 D HN 0.477 nan 8.370 nan 0.000 0.507 361 G N 0.160 108.826 108.800 -0.224 0.000 2.159 361 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.256 361 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.256 361 G C -0.097 174.754 174.900 -0.082 0.000 0.977 361 G CA 0.101 45.131 45.100 -0.116 0.000 0.652 361 G HN 0.481 nan 8.290 nan 0.000 0.531 362 Y N 2.799 122.980 120.300 -0.197 0.000 2.620 362 Y HA 0.429 4.978 4.550 -0.001 0.000 0.330 362 Y C 1.061 176.911 175.900 -0.084 0.000 1.186 362 Y CA 0.775 58.791 58.100 -0.141 0.000 1.467 362 Y CB 0.634 38.970 38.460 -0.205 0.000 1.262 362 Y HN 0.497 nan 8.280 nan 0.000 0.550 363 T N 2.089 116.171 114.554 -0.787 0.000 2.916 363 T HA 0.736 5.085 4.350 -0.001 0.000 0.292 363 T C -0.633 173.719 174.700 -0.579 0.000 1.055 363 T CA -0.659 61.147 62.100 -0.491 0.000 1.009 363 T CB 1.672 70.384 68.868 -0.260 0.000 1.118 363 T HN 0.722 nan 8.240 nan 0.000 0.497 364 S N -0.598 114.961 115.700 -0.236 0.000 2.565 364 S HA 0.466 4.935 4.470 -0.001 0.000 0.269 364 S C -1.312 173.247 174.600 -0.068 0.000 1.153 364 S CA -0.655 57.546 58.200 0.002 0.000 0.835 364 S CB 1.221 64.570 63.200 0.248 0.000 1.122 364 S HN 0.889 nan 8.310 nan 0.000 0.462 365 H N 1.182 120.298 119.070 0.076 0.000 2.674 365 H HA 0.412 4.967 4.556 -0.001 0.000 0.274 365 H C -0.183 175.188 175.328 0.073 0.000 1.121 365 H CA -0.260 55.819 56.048 0.051 0.000 1.132 365 H CB 0.496 30.271 29.762 0.022 0.000 1.606 365 H HN 0.338 nan 8.280 nan 0.000 0.558 366 L N 3.760 125.102 121.223 0.198 0.000 2.530 366 L HA 0.159 4.498 4.340 -0.001 0.000 0.273 366 L C -1.620 175.281 176.870 0.052 0.000 1.141 366 L CA -1.408 53.508 54.840 0.126 0.000 0.905 366 L CB 0.888 42.993 42.059 0.078 0.000 1.202 366 L HN -0.007 nan 8.230 nan 0.000 0.473 367 P HA 0.007 nan 4.420 nan 0.000 0.227 367 P C -0.052 177.221 177.300 -0.046 0.000 1.161 367 P CA 0.419 63.502 63.100 -0.028 0.000 0.788 367 P CB 0.462 32.118 31.700 -0.073 0.000 0.822 368 S N -1.500 114.170 115.700 -0.050 0.000 2.556 368 S HA 0.693 5.163 4.470 -0.001 0.000 0.271 368 S C -1.351 173.218 174.600 -0.050 0.000 1.135 368 S CA -0.585 57.585 58.200 -0.049 0.000 0.858 368 S CB 0.486 63.659 63.200 -0.045 0.000 1.114 368 S HN -0.172 nan 8.310 nan 0.000 0.468 372 F N 0.642 120.650 119.950 0.096 0.000 2.126 372 F HA -0.004 4.522 4.527 -0.001 0.000 0.299 372 F C -0.568 175.225 175.800 -0.011 0.000 1.096 372 F CA 1.208 59.214 58.000 0.009 0.000 1.255 372 F CB -1.231 37.710 39.000 -0.099 0.000 0.997 372 F HN 0.298 nan 8.300 nan 0.000 0.479 373 P HA -0.198 nan 4.420 nan 0.000 0.215 373 P C 1.943 179.291 177.300 0.080 0.000 1.157 373 P CA 1.241 64.429 63.100 0.147 0.000 0.874 373 P CB -0.025 31.774 31.700 0.165 0.000 0.790 374 L N -0.855 120.400 121.223 0.053 0.000 2.056 374 L HA -0.098 4.241 4.340 -0.001 0.000 0.207 374 L C 2.210 179.081 176.870 0.001 0.000 1.078 374 L CA 1.681 56.553 54.840 0.054 0.000 0.749 374 L CB -1.096 41.009 42.059 0.077 0.000 0.901 374 L HN -0.198 nan 8.230 nan 0.000 0.433 375 V N -0.372 119.455 119.914 -0.144 0.000 2.358 375 V HA -0.294 3.825 4.120 -0.001 0.000 0.246 375 V C 2.268 178.299 176.094 -0.105 0.000 1.047 375 V CA 1.904 64.056 62.300 -0.247 0.000 1.035 375 V CB -0.692 30.708 31.823 -0.706 0.000 0.658 375 V HN 0.539 nan 8.190 nan 0.000 0.452 376 D N 0.261 120.647 120.400 -0.022 0.000 2.117 376 D HA -0.045 4.594 4.640 -0.001 0.000 0.197 376 D C 1.315 177.615 176.300 -0.001 0.000 0.987 376 D CA 1.064 55.085 54.000 0.035 0.000 0.829 376 D CB -0.155 40.705 40.800 0.100 0.000 0.961 376 D HN 0.513 nan 8.370 nan 0.000 0.460 380 N N 1.855 120.534 118.700 -0.035 0.000 2.084 380 N HA -0.065 4.674 4.740 -0.001 0.000 0.190 380 N C 1.630 177.114 175.510 -0.044 0.000 1.030 380 N CA 1.953 54.987 53.050 -0.026 0.000 0.849 380 N CB -0.207 38.268 38.487 -0.021 0.000 1.012 380 N HN 0.290 nan 8.380 nan 0.000 0.423 381 A N 0.782 123.556 122.820 -0.077 0.000 1.972 381 A HA -0.030 4.289 4.320 -0.001 0.000 0.219 381 A C 2.281 179.828 177.584 -0.061 0.000 1.169 381 A CA 0.906 52.890 52.037 -0.088 0.000 0.635 381 A CB -0.558 18.353 19.000 -0.149 0.000 0.810 381 A HN 0.236 nan 8.150 nan 0.000 0.446 382 L N -0.057 121.133 121.223 -0.056 0.000 2.179 382 L HA -0.078 4.261 4.340 -0.001 0.000 0.208 382 L C 2.812 179.677 176.870 -0.009 0.000 1.096 382 L CA 1.377 56.203 54.840 -0.025 0.000 0.779 382 L CB -0.297 41.753 42.059 -0.015 0.000 0.922 382 L HN 0.580 nan 8.230 nan 0.000 0.443 383 S N -1.034 114.659 115.700 -0.011 0.000 2.456 383 S HA -0.014 4.455 4.470 -0.001 0.000 0.224 383 S C 1.154 175.752 174.600 -0.004 0.000 1.035 383 S CA -0.069 58.129 58.200 -0.004 0.000 0.940 383 S CB -0.159 63.041 63.200 0.001 0.000 0.799 383 S HN 0.214 nan 8.310 nan 0.000 0.508 384 K N 2.404 122.799 120.400 -0.008 0.000 2.278 384 K HA 0.256 4.575 4.320 -0.001 0.000 0.237 384 K C 0.308 176.905 176.600 -0.006 0.000 1.229 384 K CA -0.043 56.241 56.287 -0.006 0.000 1.155 384 K CB -0.042 32.452 32.500 -0.010 0.000 1.590 384 K HN 0.218 nan 8.250 nan 0.000 0.290 385 T N 0.526 115.080 114.554 -0.001 0.000 2.833 385 T HA -0.124 4.225 4.350 -0.001 0.000 0.269 385 T C 1.923 176.624 174.700 0.002 0.000 1.054 385 T CA 1.609 63.710 62.100 0.002 0.000 1.135 385 T CB 0.009 68.880 68.868 0.005 0.000 0.869 385 T HN 0.721 nan 8.240 nan 0.000 0.466 386 G N 0.606 109.407 108.800 0.001 0.000 2.625 386 G HA2 -0.058 3.901 3.960 -0.001 0.000 0.214 386 G HA3 -0.058 3.901 3.960 -0.001 0.000 0.214 386 G C 0.534 175.434 174.900 -0.000 0.000 1.132 386 G CA 0.136 45.237 45.100 0.002 0.000 0.782 386 G HN 0.364 nan 8.290 nan 0.000 0.538 387 E N -0.262 119.936 120.200 -0.003 0.000 2.266 387 E HA 0.315 4.664 4.350 -0.001 0.000 0.277 387 E C 1.093 177.689 176.600 -0.007 0.000 1.018 387 E CA -0.494 55.902 56.400 -0.007 0.000 0.840 387 E CB 1.463 31.155 29.700 -0.013 0.000 1.082 387 E HN 0.244 nan 8.360 nan 0.000 0.395 388 E N 2.967 123.163 120.200 -0.007 0.000 2.250 388 E HA -0.074 4.276 4.350 -0.001 0.000 0.192 388 E C 0.096 176.690 176.600 -0.010 0.000 0.986 388 E CA 0.448 56.846 56.400 -0.004 0.000 0.849 388 E CB 0.269 29.969 29.700 -0.001 0.000 0.797 388 E HN 0.306 nan 8.360 nan 0.000 0.482 389 N N -0.559 118.128 118.700 -0.021 0.000 2.628 389 N HA 0.177 4.916 4.740 -0.001 0.000 0.299 389 N C 0.414 175.888 175.510 -0.060 0.000 1.834 389 N CA 0.380 53.407 53.050 -0.038 0.000 0.871 389 N CB 0.770 39.236 38.487 -0.036 0.000 1.377 389 N HN 0.167 nan 8.380 nan 0.000 0.493 390 G N 0.008 108.774 108.800 -0.057 0.000 2.462 390 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.220 390 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.220 390 G C 1.303 176.128 174.900 -0.125 0.000 1.121 390 G CA 0.527 45.584 45.100 -0.072 0.000 0.758 390 G HN 0.444 nan 8.290 nan 0.000 0.559 391 L N 0.321 121.446 121.223 -0.163 0.000 2.349 391 L HA -0.111 4.228 4.340 -0.001 0.000 0.220 391 L C 2.601 179.245 176.870 -0.376 0.000 1.130 391 L CA 0.717 55.373 54.840 -0.307 0.000 0.791 391 L CB -0.355 41.519 42.059 -0.309 0.000 0.918 391 L HN 0.228 nan 8.230 nan 0.000 0.444 392 N N 0.462 119.028 118.700 -0.222 0.000 2.137 392 N HA -0.248 4.491 4.740 -0.001 0.000 0.190 392 N C 1.752 177.223 175.510 -0.065 0.000 1.017 392 N CA 1.357 54.330 53.050 -0.129 0.000 0.859 392 N CB 0.053 38.508 38.487 -0.052 0.000 1.002 392 N HN 0.299 nan 8.380 nan 0.000 0.428 393 E N -0.775 119.367 120.200 -0.095 0.000 2.110 393 E HA -0.140 4.209 4.350 -0.001 0.000 0.193 393 E C 1.753 178.300 176.600 -0.088 0.000 0.988 393 E CA 1.047 57.406 56.400 -0.068 0.000 0.804 393 E CB 0.108 29.768 29.700 -0.066 0.000 0.745 393 E HN 0.197 nan 8.360 nan 0.000 0.458 394 V N 0.511 120.310 119.914 -0.192 0.000 2.307 394 V HA -0.261 3.858 4.120 -0.001 0.000 0.245 394 V C 2.036 178.071 176.094 -0.098 0.000 1.045 394 V CA 1.934 64.116 62.300 -0.197 0.000 1.024 394 V CB -0.688 30.874 31.823 -0.435 0.000 0.651 394 V HN 0.363 nan 8.190 nan 0.000 0.449 395 Y N 1.581 121.638 120.300 -0.405 0.000 2.081 395 Y HA -0.297 4.252 4.550 -0.001 0.000 0.280 395 Y C 2.552 178.451 175.900 -0.002 0.000 1.163 395 Y CA 2.305 60.268 58.100 -0.229 0.000 1.135 395 Y CB -0.364 37.849 38.460 -0.411 0.000 0.970 395 Y HN 0.368 nan 8.280 nan 0.000 0.498 396 E N -1.017 119.114 120.200 -0.114 0.000 2.072 396 E HA -0.164 4.186 4.350 -0.001 0.000 0.191 396 E C 2.096 178.657 176.600 -0.064 0.000 0.985 396 E CA 1.695 58.003 56.400 -0.154 0.000 0.801 396 E CB -0.270 29.412 29.700 -0.029 0.000 0.750 396 E HN 0.486 nan 8.360 nan 0.000 0.452 397 T N 1.876 116.424 114.554 -0.010 0.000 2.746 397 T HA -0.129 4.220 4.350 -0.001 0.000 0.267 397 T C 1.969 176.705 174.700 0.060 0.000 1.039 397 T CA 0.730 62.847 62.100 0.028 0.000 1.142 397 T CB -0.194 68.702 68.868 0.046 0.000 0.866 397 T HN 0.092 nan 8.240 nan 0.000 0.444 398 L N 1.479 122.767 121.223 0.107 0.000 2.083 398 L HA -0.129 4.210 4.340 -0.001 0.000 0.209 398 L C 2.841 179.774 176.870 0.105 0.000 1.083 398 L CA 1.434 56.362 54.840 0.147 0.000 0.752 398 L CB -0.520 41.720 42.059 0.303 0.000 0.899 398 L HN 0.407 nan 8.230 nan 0.000 0.433 399 S N -0.271 115.477 115.700 0.080 0.000 2.442 399 S HA -0.143 4.326 4.470 -0.001 0.000 0.236 399 S C 1.652 176.323 174.600 0.119 0.000 1.007 399 S CA 0.776 59.019 58.200 0.071 0.000 0.965 399 S CB -0.467 62.685 63.200 -0.081 0.000 0.773 399 S HN 0.470 nan 8.310 nan 0.000 0.504 400 L N 1.063 122.286 121.223 -0.001 0.000 2.627 400 L HA 0.174 4.513 4.340 -0.001 0.000 0.233 400 L C 1.474 178.160 176.870 -0.306 0.000 1.144 400 L CA 0.097 54.785 54.840 -0.254 0.000 0.892 400 L CB -0.470 41.461 42.059 -0.213 0.000 1.039 400 L HN 0.149 nan 8.230 nan 0.000 0.442 401 D N 0.412 120.802 120.400 -0.016 0.000 2.228 401 D HA -0.237 4.403 4.640 -0.001 0.000 0.203 401 D C 1.921 178.270 176.300 0.081 0.000 0.988 401 D CA 1.301 55.372 54.000 0.118 0.000 0.864 401 D CB -0.050 40.800 40.800 0.082 0.000 0.928 401 D HN 0.586 nan 8.370 nan 0.000 0.469 402 Y N -0.690 119.655 120.300 0.075 0.000 2.483 402 Y HA 0.003 4.552 4.550 -0.001 0.000 0.291 402 Y C 1.831 177.746 175.900 0.024 0.000 1.143 402 Y CA 0.496 58.622 58.100 0.043 0.000 1.289 402 Y CB -0.746 37.723 38.460 0.016 0.000 0.983 402 Y HN -0.046 nan 8.280 nan 0.000 0.556 403 L N -0.706 120.183 121.223 -0.556 0.000 2.376 403 L HA -0.057 4.282 4.340 -0.001 0.000 0.219 403 L C -0.014 176.698 176.870 -0.263 0.000 1.133 403 L CA 0.345 54.929 54.840 -0.428 0.000 0.816 403 L CB -0.350 41.336 42.059 -0.622 0.000 0.933 403 L HN 0.209 nan 8.230 nan 0.000 0.449 404 Y N -0.249 119.998 120.300 -0.089 0.000 2.323 404 Y HA 0.196 4.745 4.550 -0.001 0.000 0.331 404 Y C -1.275 174.619 175.900 -0.010 0.000 1.092 404 Y CA -2.387 55.693 58.100 -0.034 0.000 1.150 404 Y CB 0.239 38.680 38.460 -0.031 0.000 1.200 404 Y HN -0.164 nan 8.280 nan 0.000 0.472 405 P HA -0.113 nan 4.420 nan 0.000 0.219 405 P C -0.601 176.740 177.300 0.069 0.000 1.150 405 P CA 1.370 64.522 63.100 0.087 0.000 0.814 405 P CB 0.459 32.192 31.700 0.055 0.000 0.787 406 E N -0.813 119.430 120.200 0.071 0.000 3.626 406 E HA 0.133 4.482 4.350 -0.001 0.000 0.245 406 E C -2.019 174.552 176.600 -0.048 0.000 1.236 406 E CA -1.441 54.962 56.400 0.006 0.000 1.072 406 E CB 0.951 30.640 29.700 -0.018 0.000 1.309 406 E HN 0.203 nan 8.360 nan 0.000 0.400 407 P HA -0.223 nan 4.420 nan 0.000 0.220 407 P C 0.805 177.980 177.300 -0.207 0.000 1.148 407 P CA 1.192 64.161 63.100 -0.218 0.000 0.803 407 P CB 0.366 32.020 31.700 -0.077 0.000 0.782 408 Q N -0.970 118.757 119.800 -0.122 0.000 2.444 408 Q HA -0.012 4.327 4.340 -0.001 0.000 0.206 408 Q C 1.334 177.273 176.000 -0.103 0.000 0.948 408 Q CA 0.296 56.032 55.803 -0.111 0.000 0.946 408 Q CB -0.502 28.184 28.738 -0.085 0.000 1.027 408 Q HN 0.200 nan 8.270 nan 0.000 0.513 409 N N 0.007 118.641 118.700 -0.110 0.000 2.280 409 N HA 0.096 4.835 4.740 -0.001 0.000 0.192 409 N C -0.274 175.178 175.510 -0.096 0.000 1.109 409 N CA -0.024 52.968 53.050 -0.097 0.000 0.855 409 N CB 0.404 38.834 38.487 -0.096 0.000 0.974 409 N HN 0.085 nan 8.380 nan 0.000 0.482 410 L N 0.375 121.509 121.223 -0.149 0.000 2.464 410 L HA 0.229 4.568 4.340 -0.001 0.000 0.264 410 L C 0.045 176.873 176.870 -0.070 0.000 1.199 410 L CA -0.627 54.123 54.840 -0.151 0.000 0.818 410 L CB 0.969 42.847 42.059 -0.301 0.000 1.102 410 L HN -0.207 nan 8.230 nan 0.000 0.473 411 V N 3.286 123.187 119.914 -0.022 0.000 2.383 411 V HA 0.233 4.352 4.120 -0.001 0.000 0.275 411 V C -0.094 176.040 176.094 0.067 0.000 1.036 411 V CA -0.425 61.900 62.300 0.041 0.000 0.889 411 V CB 1.477 33.328 31.823 0.047 0.000 0.985 411 V HN 0.357 nan 8.190 nan 0.000 0.459 412 L N 7.834 129.079 121.223 0.037 0.000 2.282 412 L HA 0.721 5.060 4.340 -0.001 0.000 0.288 412 L C -0.626 176.282 176.870 0.063 0.000 1.033 412 L CA -0.049 54.758 54.840 -0.054 0.000 0.807 412 L CB 0.952 42.925 42.059 -0.145 0.000 1.209 412 L HN 0.555 nan 8.230 nan 0.000 0.423 413 F N 1.676 121.587 119.950 -0.065 0.000 2.561 413 F HA 0.753 5.279 4.527 -0.001 0.000 0.321 413 F C 0.981 176.780 175.800 -0.001 0.000 1.065 413 F CA -0.650 57.334 58.000 -0.025 0.000 0.934 413 F CB 1.313 40.263 39.000 -0.085 0.000 1.215 413 F HN 0.446 nan 8.300 nan 0.000 0.471 414 G N 0.065 108.943 108.800 0.131 0.000 2.464 414 G HA2 0.430 4.389 3.960 -0.001 0.000 0.217 414 G HA3 0.430 4.389 3.960 -0.001 0.000 0.217 414 G C 0.331 175.266 174.900 0.059 0.000 1.138 414 G CA 0.368 45.497 45.100 0.047 0.000 0.793 414 G HN 1.269 nan 8.290 nan 0.000 0.539 415 G N -0.671 108.233 108.800 0.174 0.000 2.342 415 G HA2 0.470 4.429 3.960 -0.001 0.000 0.297 415 G HA3 0.470 4.429 3.960 -0.001 0.000 0.297 415 G C -1.739 173.167 174.900 0.010 0.000 1.313 415 G CA -0.094 45.105 45.100 0.165 0.000 0.830 415 G HN 0.776 nan 8.290 nan 0.000 0.506 416 N N -2.903 115.607 118.700 -0.317 0.000 3.277 416 N HA 0.263 5.002 4.740 -0.001 0.000 0.278 416 N C 0.604 175.497 175.510 -1.027 0.000 1.544 416 N CA -0.132 52.423 53.050 -0.825 0.000 0.869 416 N CB 0.200 38.388 38.487 -0.498 0.000 1.584 416 N HN 0.723 nan 8.380 nan 0.000 0.564 417 H N -2.006 116.458 119.070 -1.010 0.000 2.563 417 H HA 0.252 4.807 4.556 -0.001 0.000 0.272 417 H C -0.931 174.411 175.328 0.023 0.000 1.005 417 H CA 0.442 56.248 56.048 -0.404 0.000 1.171 417 H CB -0.324 29.352 29.762 -0.144 0.000 1.351 417 H HN 0.451 nan 8.280 nan 0.000 0.602 424 S N 0.854 116.603 115.700 0.082 0.000 2.395 424 S HA 0.099 4.568 4.470 -0.001 0.000 0.225 424 S C 2.141 176.735 174.600 -0.011 0.000 1.027 424 S CA 1.086 59.268 58.200 -0.030 0.000 0.965 424 S CB -0.495 62.746 63.200 0.067 0.000 0.812 424 S HN 0.490 nan 8.310 nan 0.000 0.482 425 A N 1.488 124.339 122.820 0.052 0.000 1.978 425 A HA 0.120 4.439 4.320 -0.001 0.000 0.220 425 A C 2.107 179.707 177.584 0.027 0.000 1.170 425 A CA 1.553 53.615 52.037 0.042 0.000 0.636 425 A CB -0.748 18.286 19.000 0.056 0.000 0.810 425 A HN 0.506 nan 8.150 nan 0.000 0.448 426 A N -1.626 121.221 122.820 0.044 0.000 2.238 426 A HA 0.412 4.731 4.320 -0.001 0.000 0.208 426 A C 1.703 179.256 177.584 -0.052 0.000 1.177 426 A CA 1.111 53.171 52.037 0.039 0.000 0.804 426 A CB -1.096 18.002 19.000 0.165 0.000 0.823 426 A HN 1.901 nan 8.150 nan 0.000 0.482 427 G N -0.695 108.040 108.800 -0.108 0.000 2.147 427 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.244 427 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.244 427 G C 0.037 174.767 174.900 -0.284 0.000 1.005 427 G CA 0.373 45.391 45.100 -0.137 0.000 0.713 427 G HN 0.814 nan 8.290 nan 0.000 0.515 428 E N -0.595 119.232 120.200 -0.622 0.000 2.320 428 E HA -0.200 4.149 4.350 -0.001 0.000 0.234 428 E C -0.213 175.964 176.600 -0.705 0.000 1.183 428 E CA 1.105 56.694 56.400 -1.351 0.000 0.713 428 E CB -0.677 28.585 29.700 -0.730 0.000 1.226 428 E HN 0.631 nan 8.360 nan 0.000 0.382 429 D N -0.319 119.897 120.400 -0.306 0.000 2.471 429 D HA 0.115 4.755 4.640 -0.001 0.000 0.245 429 D C 0.367 176.926 176.300 0.431 0.000 1.116 429 D CA -0.538 53.533 54.000 0.120 0.000 0.853 429 D CB 0.550 41.398 40.800 0.079 0.000 1.123 429 D HN -0.006 nan 8.370 nan 0.000 0.540 430 F N 3.691 123.916 119.950 0.459 0.000 2.115 430 F HA -0.260 4.266 4.527 -0.002 0.000 0.300 430 F C 1.603 177.665 175.800 0.437 0.000 1.092 430 F CA 1.747 60.028 58.000 0.467 0.000 1.245 430 F CB 0.318 39.466 39.000 0.246 0.000 0.995 430 F HN 0.384 nan 8.300 nan 0.000 0.481 431 D N -0.209 120.449 120.400 0.430 0.000 2.123 431 D HA -0.167 4.472 4.640 -0.001 0.000 0.196 431 D C 2.434 178.840 176.300 0.176 0.000 0.992 431 D CA 1.309 55.473 54.000 0.273 0.000 0.833 431 D CB -0.379 40.554 40.800 0.222 0.000 0.954 431 D HN 0.368 nan 8.370 nan 0.000 0.455 432 R N -0.586 120.028 120.500 0.189 0.000 2.090 432 R HA -0.089 4.250 4.340 -0.001 0.000 0.228 432 R C 2.236 178.630 176.300 0.157 0.000 1.110 432 R CA 0.689 56.871 56.100 0.136 0.000 0.973 432 R CB -0.400 29.965 30.300 0.109 0.000 0.869 432 R HN 0.276 nan 8.270 nan 0.000 0.440 433 W N 2.665 123.996 121.300 0.052 0.000 2.338 433 W HA -0.171 4.488 4.660 -0.002 0.000 0.304 433 W C 1.283 177.780 176.519 -0.038 0.000 1.212 433 W CA 1.154 58.532 57.345 0.055 0.000 1.264 433 W CB -0.066 29.485 29.460 0.152 0.000 1.142 433 W HN -0.103 nan 8.180 nan 0.000 0.512 437 L N 2.268 123.353 121.223 -0.230 0.000 1.994 437 L HA 0.072 4.411 4.340 -0.001 0.000 0.208 437 L C 1.862 178.718 176.870 -0.023 0.000 1.071 437 L CA 1.788 56.494 54.840 -0.223 0.000 0.745 437 L CB -0.607 41.077 42.059 -0.626 0.000 0.892 437 L HN 0.167 nan 8.230 nan 0.000 0.431 438 V N -0.430 119.481 119.914 -0.006 0.000 2.332 438 V HA -0.317 3.802 4.120 -0.001 0.000 0.248 438 V C 2.329 178.547 176.094 0.208 0.000 1.055 438 V CA 2.075 64.423 62.300 0.081 0.000 1.038 438 V CB -0.930 30.924 31.823 0.051 0.000 0.651 438 V HN 0.567 nan 8.190 nan 0.000 0.450 439 F N 0.381 120.394 119.950 0.105 0.000 2.069 439 F HA -0.096 4.430 4.527 -0.001 0.000 0.298 439 F C 1.284 177.150 175.800 0.111 0.000 1.113 439 F CA 0.916 59.019 58.000 0.171 0.000 1.214 439 F CB -0.331 38.764 39.000 0.160 0.000 0.978 439 F HN 0.120 nan 8.300 nan 0.000 0.474 445 R N 0.272 120.705 120.500 -0.110 0.000 2.766 445 R HA 0.568 4.907 4.340 -0.001 0.000 0.270 445 R C -0.587 175.684 176.300 -0.048 0.000 1.035 445 R CA -0.663 55.377 56.100 -0.101 0.000 0.911 445 R CB 1.154 31.371 30.300 -0.138 0.000 1.243 445 R HN 0.205 nan 8.270 nan 0.000 0.460 446 I N 4.165 124.728 120.570 -0.012 0.000 2.312 446 I HA 0.228 4.397 4.170 -0.001 0.000 0.291 446 I C -1.901 174.254 176.117 0.064 0.000 1.031 446 I CA -1.807 59.520 61.300 0.045 0.000 1.293 446 I CB 1.485 39.560 38.000 0.124 0.000 1.403 446 I HN 0.055 nan 8.210 nan 0.000 0.484 447 P HA 0.095 nan 4.420 nan 0.000 0.280 447 P C -1.231 176.205 177.300 0.226 0.000 1.244 447 P CA -0.378 62.805 63.100 0.139 0.000 0.784 447 P CB 1.351 33.139 31.700 0.145 0.000 0.913 448 Q N 3.293 123.255 119.800 0.271 0.000 2.356 448 Q HA 0.454 4.793 4.340 -0.001 0.000 0.270 448 Q C -2.174 174.050 176.000 0.374 0.000 1.058 448 Q CA -0.753 55.232 55.803 0.303 0.000 0.802 448 Q CB 1.756 30.654 28.738 0.266 0.000 1.303 448 Q HN 0.411 nan 8.270 nan 0.000 0.444 449 F N 3.327 123.360 119.950 0.139 0.000 2.520 449 F HA 0.400 4.926 4.527 -0.002 0.000 0.322 449 F C -1.528 174.205 175.800 -0.112 0.000 1.103 449 F CA -0.815 57.242 58.000 0.095 0.000 0.926 449 F CB 1.346 40.461 39.000 0.192 0.000 1.154 449 F HN 0.566 nan 8.300 nan 0.000 0.453 450 Y N 4.945 124.880 120.300 -0.610 0.000 2.341 450 Y HA 0.326 4.875 4.550 -0.001 0.000 0.340 450 Y C 0.237 175.839 175.900 -0.497 0.000 0.997 450 Y CA -0.919 56.872 58.100 -0.516 0.000 1.149 450 Y CB 0.829 39.094 38.460 -0.325 0.000 1.171 450 Y HN 0.560 nan 8.280 nan 0.000 0.494 451 S N 4.322 119.480 115.700 -0.904 0.000 2.593 451 S HA 0.313 4.782 4.470 -0.001 0.000 0.300 451 S C 1.186 175.581 174.600 -0.342 0.000 1.267 451 S CA 1.523 59.297 58.200 -0.711 0.000 1.065 451 S CB -0.552 62.220 63.200 -0.713 0.000 0.807 451 S HN 1.544 nan 8.310 nan 0.000 0.499 452 G N 4.635 113.585 108.800 0.250 0.000 2.259 452 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.217 452 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.217 452 G C 0.510 175.509 174.900 0.165 0.000 1.001 452 G CA 0.411 45.656 45.100 0.240 0.000 0.627 452 G HN 0.661 nan 8.290 nan 0.000 0.501 453 D N 1.332 121.811 120.400 0.131 0.000 2.312 453 D HA 0.031 4.670 4.640 -0.001 0.000 0.211 453 D C 2.407 179.070 176.300 0.605 0.000 0.964 453 D CA 1.185 55.315 54.000 0.217 0.000 0.877 453 D CB -0.053 40.648 40.800 -0.165 0.000 0.924 453 D HN 0.739 nan 8.370 nan 0.000 0.515 454 E N 1.097 121.775 120.200 0.797 0.000 2.427 454 E HA -0.115 4.234 4.350 -0.001 0.000 0.196 454 E C 1.491 178.286 176.600 0.325 0.000 1.028 454 E CA 0.440 57.267 56.400 0.712 0.000 0.864 454 E CB -0.290 29.816 29.700 0.677 0.000 0.813 454 E HN 0.448 nan 8.360 nan 0.000 0.514 455 I N -1.691 118.976 120.570 0.163 0.000 3.707 455 I HA 0.297 4.466 4.170 -0.001 0.000 0.330 455 I C -0.028 175.960 176.117 -0.215 0.000 1.572 455 I CA -0.825 60.439 61.300 -0.059 0.000 1.104 455 I CB -0.051 37.886 38.000 -0.105 0.000 1.240 455 I HN -0.198 nan 8.210 nan 0.000 0.475 459 S N -0.248 115.563 115.700 0.185 0.000 2.672 459 S HA 0.843 5.312 4.470 -0.001 0.000 0.271 459 S C -0.047 174.665 174.600 0.186 0.000 1.171 459 S CA -0.217 58.116 58.200 0.222 0.000 0.817 459 S CB 1.073 64.519 63.200 0.409 0.000 1.150 459 S HN 1.827 nan 8.310 nan 0.000 0.478 460 T N -1.194 113.476 114.554 0.193 0.000 2.788 460 T HA 0.548 4.897 4.350 -0.001 0.000 0.287 460 T C 1.126 175.954 174.700 0.213 0.000 1.007 460 T CA 0.053 62.244 62.100 0.152 0.000 1.005 460 T CB 0.721 69.650 68.868 0.102 0.000 1.012 460 T HN 1.739 nan 8.240 nan 0.000 0.530 461 V N -2.486 117.514 119.914 0.143 0.000 3.398 461 V HA 0.410 4.529 4.120 -0.001 0.000 0.298 461 V C 0.113 176.273 176.094 0.111 0.000 1.496 461 V CA -0.343 62.033 62.300 0.126 0.000 1.044 461 V CB -1.282 30.585 31.823 0.074 0.000 0.880 461 V HN 1.077 nan 8.190 nan 0.000 0.443 462 K N -0.068 120.395 120.400 0.105 0.000 2.480 462 K HA 0.850 5.170 4.320 -0.001 0.000 0.258 462 K C 0.363 177.008 176.600 0.075 0.000 0.990 462 K CA -0.370 55.965 56.287 0.079 0.000 0.857 462 K CB 1.924 34.455 32.500 0.051 0.000 1.384 462 K HN 0.853 nan 8.250 nan 0.000 0.446 463 G N 0.988 109.820 108.800 0.053 0.000 2.749 463 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.242 463 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.242 463 G C -1.001 173.921 174.900 0.037 0.000 1.364 463 G CA -0.118 45.002 45.100 0.034 0.000 0.888 463 G HN 0.941 nan 8.290 nan 0.000 0.566 464 R N 0.023 120.526 120.500 0.005 0.000 2.254 464 R HA 0.656 4.995 4.340 -0.001 0.000 0.318 464 R C -0.855 175.409 176.300 -0.061 0.000 1.031 464 R CA -0.274 55.814 56.100 -0.020 0.000 0.905 464 R CB 1.448 31.726 30.300 -0.037 0.000 1.050 464 R HN 0.445 nan 8.270 nan 0.000 0.456 465 D N 1.986 122.292 120.400 -0.156 0.000 3.602 465 D HA 0.068 4.707 4.640 -0.001 0.000 0.275 465 D C -0.394 175.490 176.300 -0.693 0.000 1.348 465 D CA -0.203 53.630 54.000 -0.279 0.000 0.768 465 D CB 0.315 41.004 40.800 -0.185 0.000 1.373 465 D HN 0.484 nan 8.370 nan 0.000 0.683 466 D N 0.209 120.308 120.400 -0.503 0.000 2.149 466 D HA -0.121 4.518 4.640 -0.001 0.000 0.198 466 D C 2.075 178.177 176.300 -0.330 0.000 0.990 466 D CA 1.402 55.111 54.000 -0.485 0.000 0.839 466 D CB 0.107 40.852 40.800 -0.092 0.000 0.948 466 D HN 0.467 nan 8.370 nan 0.000 0.460 467 A N 0.673 123.381 122.820 -0.186 0.000 1.908 467 A HA -0.212 4.107 4.320 -0.001 0.000 0.218 467 A C 2.268 179.799 177.584 -0.088 0.000 1.181 467 A CA 2.454 54.439 52.037 -0.086 0.000 0.627 467 A CB -0.788 18.173 19.000 -0.065 0.000 0.818 467 A HN 0.346 nan 8.150 nan 0.000 0.445 468 S N -1.342 114.244 115.700 -0.190 0.000 2.474 468 S HA -0.133 4.337 4.470 -0.001 0.000 0.235 468 S C 1.489 176.161 174.600 0.121 0.000 0.997 468 S CA 1.221 59.384 58.200 -0.061 0.000 0.949 468 S CB -0.671 62.489 63.200 -0.065 0.000 0.766 468 S HN 0.583 nan 8.310 nan 0.000 0.517 469 Y N 1.444 121.830 120.300 0.143 0.000 2.511 469 Y HA 0.410 4.959 4.550 -0.002 0.000 0.279 469 Y C 1.653 177.729 175.900 0.294 0.000 1.157 469 Y CA -0.626 57.602 58.100 0.213 0.000 1.300 469 Y CB -0.338 38.235 38.460 0.188 0.000 1.052 469 Y HN 0.295 nan 8.280 nan 0.000 0.529 470 R N 0.064 120.756 120.500 0.319 0.000 2.690 470 R HA 0.241 4.580 4.340 -0.001 0.000 0.419 470 R C 0.020 176.409 176.300 0.148 0.000 1.090 470 R CA -0.332 55.944 56.100 0.294 0.000 1.064 470 R CB 0.598 31.087 30.300 0.316 0.000 1.391 470 R HN 0.036 nan 8.270 nan 0.000 0.586 471 R N 1.321 121.896 120.500 0.125 0.000 2.734 471 R HA 0.020 4.359 4.340 -0.001 0.000 0.266 471 R C -0.289 176.065 176.300 0.090 0.000 1.044 471 R CA -0.106 56.038 56.100 0.074 0.000 1.128 471 R CB 0.380 30.710 30.300 0.049 0.000 1.010 471 R HN 0.048 nan 8.270 nan 0.000 0.461 472 D N 1.725 122.147 120.400 0.037 0.000 2.488 472 D HA -0.106 4.534 4.640 -0.001 0.000 0.238 472 D C -0.247 176.138 176.300 0.142 0.000 1.138 472 D CA 0.464 54.484 54.000 0.033 0.000 0.873 472 D CB 0.217 40.753 40.800 -0.440 0.000 1.183 472 D HN 0.223 nan 8.370 nan 0.000 0.458 473 F N 4.267 124.328 119.950 0.184 0.000 2.541 473 F HA 0.157 4.683 4.527 -0.002 0.000 0.378 473 F C -1.748 174.047 175.800 -0.008 0.000 1.068 473 F CA -1.978 56.072 58.000 0.082 0.000 1.199 473 F CB 0.518 39.614 39.000 0.161 0.000 1.091 473 F HN 0.126 nan 8.300 nan 0.000 0.555 474 P HA 0.183 nan 4.420 nan 0.000 0.265 474 P C 0.397 177.458 177.300 -0.398 0.000 1.222 474 P CA 0.841 63.718 63.100 -0.372 0.000 0.767 474 P CB 0.721 32.166 31.700 -0.425 0.000 0.801 475 G N 3.013 111.766 108.800 -0.078 0.000 2.211 475 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.201 475 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.201 475 G C 1.073 176.136 174.900 0.272 0.000 0.997 475 G CA 0.031 45.157 45.100 0.044 0.000 0.652 475 G HN 0.650 nan 8.290 nan 0.000 0.500 476 G N -0.902 108.117 108.800 0.365 0.000 2.448 476 G HA2 0.183 4.142 3.960 -0.001 0.000 0.218 476 G HA3 0.183 4.142 3.960 -0.001 0.000 0.218 476 G C 0.664 175.658 174.900 0.157 0.000 1.135 476 G CA 0.610 45.907 45.100 0.328 0.000 0.784 476 G HN 0.420 nan 8.290 nan 0.000 0.543 477 W N -0.109 121.230 121.300 0.064 0.000 2.666 477 W HA 0.652 5.313 4.660 0.001 0.000 0.334 477 W C -0.039 176.503 176.519 0.039 0.000 1.051 477 W CA -1.664 55.712 57.345 0.050 0.000 1.224 477 W CB 1.649 31.129 29.460 0.032 0.000 1.405 477 W HN 0.090 nan 8.180 nan 0.000 0.513 478 A N 1.225 124.163 122.820 0.197 0.000 2.546 478 A HA 0.412 4.731 4.320 -0.001 0.000 0.243 478 A C 1.045 178.712 177.584 0.139 0.000 1.063 478 A CA 1.429 53.543 52.037 0.128 0.000 0.757 478 A CB -0.369 18.679 19.000 0.080 0.000 0.991 478 A HN 1.476 nan 8.150 nan 0.000 0.503 479 G N 2.090 110.948 108.800 0.095 0.000 2.141 479 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.242 479 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.242 479 G C -0.196 174.738 174.900 0.057 0.000 0.982 479 G CA 0.202 45.342 45.100 0.067 0.000 0.662 479 G HN 0.856 nan 8.290 nan 0.000 0.527 480 D N 0.352 120.797 120.400 0.075 0.000 2.389 480 D HA 0.353 4.992 4.640 -0.001 0.000 0.247 480 D C 1.622 177.925 176.300 0.005 0.000 1.128 480 D CA -0.340 53.684 54.000 0.040 0.000 0.884 480 D CB 0.925 41.760 40.800 0.058 0.000 1.194 480 D HN 0.024 nan 8.370 nan 0.000 0.441 481 K N 1.198 121.586 120.400 -0.020 0.000 1.984 481 K HA -0.021 4.298 4.320 -0.001 0.000 0.209 481 K C 0.585 177.160 176.600 -0.042 0.000 1.046 481 K CA 0.672 56.942 56.287 -0.028 0.000 0.934 481 K CB -0.314 32.164 32.500 -0.037 0.000 0.717 481 K HN 0.435 nan 8.250 nan 0.000 0.438 482 A N 2.407 125.185 122.820 -0.070 0.000 2.301 482 A HA 0.278 4.597 4.320 -0.001 0.000 0.298 482 A C -0.313 177.192 177.584 -0.132 0.000 1.185 482 A CA -0.481 51.495 52.037 -0.103 0.000 0.830 482 A CB 0.253 19.172 19.000 -0.134 0.000 1.112 482 A HN 0.224 nan 8.150 nan 0.000 0.508 483 N N 2.286 120.911 118.700 -0.125 0.000 2.569 483 N HA 0.389 5.128 4.740 -0.001 0.000 0.254 483 N C 0.574 175.950 175.510 -0.223 0.000 1.004 483 N CA 0.182 53.147 53.050 -0.141 0.000 0.904 483 N CB 1.604 40.082 38.487 -0.014 0.000 1.165 483 N HN 0.557 nan 8.380 nan 0.000 0.513 484 A N 3.349 125.880 122.820 -0.482 0.000 2.067 484 A HA 0.006 4.325 4.320 -0.001 0.000 0.219 484 A C 1.354 178.712 177.584 -0.376 0.000 1.158 484 A CA 0.824 52.570 52.037 -0.485 0.000 0.661 484 A CB -0.554 17.946 19.000 -0.833 0.000 0.801 484 A HN 0.668 nan 8.150 nan 0.000 0.452 485 F N 0.598 120.416 119.950 -0.221 0.000 2.206 485 F HA -0.141 4.386 4.527 0.000 0.000 0.298 485 F C 2.834 178.633 175.800 -0.001 0.000 1.090 485 F CA 1.369 59.227 58.000 -0.235 0.000 1.323 485 F CB -0.002 38.847 39.000 -0.252 0.000 1.028 485 F HN 0.358 nan 8.300 nan 0.000 0.492 486 S N -1.139 114.656 115.700 0.159 0.000 2.492 486 S HA 0.381 4.850 4.470 -0.001 0.000 0.218 486 S C 1.743 176.391 174.600 0.079 0.000 1.016 486 S CA 0.476 58.751 58.200 0.126 0.000 0.916 486 S CB 0.557 63.817 63.200 0.100 0.000 0.791 486 S HN 0.533 nan 8.310 nan 0.000 0.513 487 G N 1.085 109.907 108.800 0.036 0.000 2.194 487 G HA2 -0.103 3.856 3.960 -0.001 0.000 0.236 487 G HA3 -0.103 3.856 3.960 -0.001 0.000 0.236 487 G C 0.287 175.180 174.900 -0.010 0.000 0.987 487 G CA -0.096 45.013 45.100 0.015 0.000 0.635 487 G HN 1.342 nan 8.290 nan 0.000 0.520 488 A N 0.173 122.989 122.820 -0.007 0.000 2.488 488 A HA 0.646 4.965 4.320 -0.001 0.000 0.249 488 A C 2.028 179.589 177.584 -0.037 0.000 1.083 488 A CA 1.829 53.858 52.037 -0.013 0.000 0.768 488 A CB -0.049 18.951 19.000 0.000 0.000 1.017 488 A HN 2.369 nan 8.150 nan 0.000 0.496 489 G N 0.847 109.625 108.800 -0.037 0.000 2.179 489 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.260 489 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.260 489 G C 0.009 174.870 174.900 -0.066 0.000 0.977 489 G CA 0.348 45.419 45.100 -0.048 0.000 0.641 489 G HN 0.784 nan 8.290 nan 0.000 0.533 490 L N 1.342 122.524 121.223 -0.068 0.000 2.371 490 L HA 0.613 4.952 4.340 -0.001 0.000 0.272 490 L C 1.306 178.135 176.870 -0.069 0.000 1.124 490 L CA 0.148 54.939 54.840 -0.082 0.000 0.816 490 L CB 1.034 43.047 42.059 -0.077 0.000 1.129 490 L HN 0.144 nan 8.230 nan 0.000 0.448 491 T N 0.829 115.334 114.554 -0.081 0.000 2.860 491 T HA 0.101 4.450 4.350 -0.001 0.000 0.299 491 T C 1.402 176.051 174.700 -0.085 0.000 1.045 491 T CA 0.295 62.348 62.100 -0.077 0.000 1.071 491 T CB 0.725 69.543 68.868 -0.083 0.000 0.985 491 T HN 0.865 nan 8.240 nan 0.000 0.537 492 S N 2.283 117.933 115.700 -0.084 0.000 2.370 492 S HA -0.204 4.265 4.470 -0.001 0.000 0.226 492 S C 1.956 176.470 174.600 -0.143 0.000 1.033 492 S CA 1.321 59.464 58.200 -0.095 0.000 1.011 492 S CB -0.531 62.616 63.200 -0.089 0.000 0.852 492 S HN 0.794 nan 8.310 nan 0.000 0.457 493 Q N 1.053 120.746 119.800 -0.178 0.000 2.084 493 Q HA -0.184 4.155 4.340 -0.001 0.000 0.202 493 Q C 2.434 178.303 176.000 -0.219 0.000 0.978 493 Q CA 1.624 57.261 55.803 -0.275 0.000 0.844 493 Q CB -0.225 28.370 28.738 -0.238 0.000 0.898 493 Q HN 0.739 nan 8.270 nan 0.000 0.426 494 Q N -0.411 119.282 119.800 -0.179 0.000 2.124 494 Q HA -0.141 4.198 4.340 -0.001 0.000 0.202 494 Q C 2.150 178.106 176.000 -0.074 0.000 0.977 494 Q CA 1.091 56.796 55.803 -0.164 0.000 0.850 494 Q CB -0.002 28.644 28.738 -0.154 0.000 0.901 494 Q HN 0.299 nan 8.270 nan 0.000 0.429 495 R N 0.174 120.639 120.500 -0.058 0.000 2.075 495 R HA -0.068 4.271 4.340 -0.001 0.000 0.232 495 R C 2.303 178.619 176.300 0.026 0.000 1.126 495 R CA 1.090 57.186 56.100 -0.007 0.000 0.963 495 R CB -0.322 29.967 30.300 -0.018 0.000 0.858 495 R HN 0.195 nan 8.270 nan 0.000 0.435 496 A N 1.191 124.002 122.820 -0.015 0.000 1.933 496 A HA -0.135 4.184 4.320 -0.001 0.000 0.218 496 A C 2.334 180.071 177.584 0.255 0.000 1.175 496 A CA 1.755 53.815 52.037 0.038 0.000 0.628 496 A CB -0.545 18.353 19.000 -0.169 0.000 0.814 496 A HN 0.410 nan 8.150 nan 0.000 0.444 497 A N -0.946 122.030 122.820 0.260 0.000 1.873 497 A HA -0.197 4.122 4.320 -0.001 0.000 0.215 497 A C 2.198 179.983 177.584 0.334 0.000 1.186 497 A CA 1.757 53.971 52.037 0.296 0.000 0.616 497 A CB -0.582 18.254 19.000 -0.273 0.000 0.823 497 A HN 0.640 nan 8.150 nan 0.000 0.442 498 Q N -0.550 119.374 119.800 0.207 0.000 2.084 498 Q HA -0.217 4.122 4.340 -0.001 0.000 0.202 498 Q C 1.248 177.365 176.000 0.195 0.000 0.978 498 Q CA 1.765 57.705 55.803 0.228 0.000 0.844 498 Q CB -0.123 28.732 28.738 0.196 0.000 0.898 498 Q HN 0.598 nan 8.270 nan 0.000 0.426 499 D N 0.293 120.790 120.400 0.162 0.000 2.144 499 D HA -0.150 4.489 4.640 -0.001 0.000 0.200 499 D C 1.848 178.224 176.300 0.125 0.000 0.978 499 D CA 0.634 54.706 54.000 0.120 0.000 0.833 499 D CB -0.130 40.721 40.800 0.086 0.000 0.961 499 D HN 0.218 nan 8.370 nan 0.000 0.470 500 L N 0.648 121.989 121.223 0.197 0.000 2.046 500 L HA -0.124 4.215 4.340 -0.001 0.000 0.208 500 L C 2.220 179.168 176.870 0.129 0.000 1.077 500 L CA 1.245 56.193 54.840 0.179 0.000 0.747 500 L CB -0.424 41.822 42.059 0.311 0.000 0.896 500 L HN -0.138 nan 8.230 nan 0.000 0.432 501 V N -0.066 119.952 119.914 0.173 0.000 2.343 501 V HA -0.283 3.836 4.120 -0.001 0.000 0.247 501 V C 2.763 178.837 176.094 -0.033 0.000 1.051 501 V CA 2.072 64.394 62.300 0.035 0.000 1.036 501 V CB -0.760 31.084 31.823 0.035 0.000 0.654 501 V HN 0.526 nan 8.190 nan 0.000 0.451 502 R N 0.443 120.956 120.500 0.020 0.000 2.073 502 R HA -0.217 4.122 4.340 -0.001 0.000 0.234 502 R C 2.445 178.758 176.300 0.021 0.000 1.134 502 R CA 2.134 58.227 56.100 -0.012 0.000 0.952 502 R CB -0.301 30.016 30.300 0.027 0.000 0.850 502 R HN 0.486 nan 8.270 nan 0.000 0.433 503 K N 0.055 120.493 120.400 0.063 0.000 2.026 503 K HA -0.170 4.149 4.320 -0.001 0.000 0.208 503 K C 2.005 178.748 176.600 0.238 0.000 1.048 503 K CA 1.431 57.792 56.287 0.122 0.000 0.929 503 K CB -0.064 32.453 32.500 0.029 0.000 0.713 503 K HN 0.103 nan 8.250 nan 0.000 0.439 504 L N 0.873 122.197 121.223 0.169 0.000 2.027 504 L HA -0.066 4.274 4.340 -0.001 0.000 0.206 504 L C 2.483 179.482 176.870 0.216 0.000 1.074 504 L CA 1.998 56.985 54.840 0.244 0.000 0.745 504 L CB -0.949 41.177 42.059 0.111 0.000 0.898 504 L HN 0.269 nan 8.230 nan 0.000 0.433 505 A N -0.702 122.107 122.820 -0.018 0.000 1.898 505 A HA -0.191 4.128 4.320 -0.001 0.000 0.216 505 A C 2.150 179.676 177.584 -0.096 0.000 1.181 505 A CA 1.719 53.642 52.037 -0.189 0.000 0.620 505 A CB -0.596 18.038 19.000 -0.610 0.000 0.819 505 A HN 0.507 nan 8.150 nan 0.000 0.442 506 N N -1.482 117.203 118.700 -0.026 0.000 2.188 506 N HA -0.183 4.556 4.740 -0.001 0.000 0.184 506 N C 1.556 177.116 175.510 0.084 0.000 1.018 506 N CA 1.567 54.624 53.050 0.012 0.000 0.858 506 N CB -0.405 38.104 38.487 0.037 0.000 0.989 506 N HN 0.815 nan 8.380 nan 0.000 0.426 507 W N 2.714 123.987 121.300 -0.045 0.000 2.381 507 W HA -0.045 4.614 4.660 -0.002 0.000 0.301 507 W C 2.503 178.926 176.519 -0.160 0.000 1.205 507 W CA 1.160 58.427 57.345 -0.129 0.000 1.285 507 W CB -0.286 29.051 29.460 -0.206 0.000 1.133 507 W HN -0.085 nan 8.180 nan 0.000 0.521 508 R N 0.958 121.394 120.500 -0.108 0.000 2.105 508 R HA -0.186 4.153 4.340 -0.001 0.000 0.239 508 R C 2.150 178.351 176.300 -0.164 0.000 1.135 508 R CA 1.930 57.852 56.100 -0.297 0.000 0.967 508 R CB -0.355 29.933 30.300 -0.020 0.000 0.861 508 R HN 0.183 nan 8.270 nan 0.000 0.442 509 K N -0.291 120.064 120.400 -0.074 0.000 2.281 509 K HA -0.133 4.187 4.320 -0.001 0.000 0.203 509 K C 0.805 177.382 176.600 -0.039 0.000 1.046 509 K CA 1.294 57.587 56.287 0.010 0.000 0.938 509 K CB -0.141 32.336 32.500 -0.038 0.000 0.737 509 K HN 0.207 nan 8.250 nan 0.000 0.458 510 N N 0.674 119.232 118.700 -0.237 0.000 2.279 510 N HA 0.009 4.748 4.740 -0.001 0.000 0.226 510 N C -0.807 174.407 175.510 -0.493 0.000 1.126 510 N CA 0.076 52.949 53.050 -0.295 0.000 0.846 510 N CB 0.661 39.001 38.487 -0.245 0.000 1.050 510 N HN 0.015 nan 8.380 nan 0.000 0.502 511 Q N 0.031 119.410 119.800 -0.703 0.000 2.788 511 Q HA 0.261 4.600 4.340 -0.001 0.000 0.261 511 Q C -2.006 173.407 176.000 -0.979 0.000 1.029 511 Q CA -1.770 53.549 55.803 -0.806 0.000 0.848 511 Q CB 1.358 29.498 28.738 -0.996 0.000 1.185 511 Q HN 0.164 nan 8.270 nan 0.000 0.482 512 P HA -0.173 nan 4.420 nan 0.000 0.218 512 P C 1.443 178.521 177.300 -0.369 0.000 1.146 512 P CA 0.682 63.458 63.100 -0.541 0.000 0.813 512 P CB 0.404 31.960 31.700 -0.239 0.000 0.778 513 V N -0.378 119.340 119.914 -0.327 0.000 2.407 513 V HA -0.208 3.911 4.120 -0.001 0.000 0.248 513 V C 2.245 178.227 176.094 -0.186 0.000 1.055 513 V CA 1.516 63.694 62.300 -0.204 0.000 1.049 513 V CB -0.853 30.887 31.823 -0.139 0.000 0.662 513 V HN -0.033 nan 8.190 nan 0.000 0.455 514 I N -0.621 119.786 120.570 -0.271 0.000 2.286 514 I HA -0.200 3.969 4.170 -0.001 0.000 0.245 514 I C 2.305 178.402 176.117 -0.032 0.000 1.104 514 I CA 1.746 62.959 61.300 -0.147 0.000 1.397 514 I CB -0.528 37.362 38.000 -0.183 0.000 1.072 514 I HN 0.442 nan 8.210 nan 0.000 0.417 515 H N 0.619 119.609 119.070 -0.133 0.000 2.353 515 H HA -0.079 4.476 4.556 -0.001 0.000 0.300 515 H C 1.189 176.458 175.328 -0.099 0.000 1.090 515 H CA 1.669 57.652 56.048 -0.108 0.000 1.327 515 H CB -0.014 29.684 29.762 -0.107 0.000 1.383 515 H HN 0.452 nan 8.280 nan 0.000 0.508 516 N N -0.351 118.359 118.700 0.017 0.000 2.145 516 N HA 0.100 4.839 4.740 -0.001 0.000 0.219 516 N C 0.741 176.197 175.510 -0.090 0.000 1.266 516 N CA 0.027 53.056 53.050 -0.035 0.000 0.902 516 N CB 1.269 39.737 38.487 -0.032 0.000 1.078 516 N HN 0.119 nan 8.380 nan 0.000 0.513 517 G N 0.785 109.515 108.800 -0.117 0.000 2.684 517 G HA2 0.242 4.201 3.960 -0.001 0.000 0.255 517 G HA3 0.242 4.201 3.960 -0.001 0.000 0.255 517 G C 0.029 174.785 174.900 -0.239 0.000 1.219 517 G CA -0.360 44.632 45.100 -0.181 0.000 0.901 517 G HN 0.082 nan 8.290 nan 0.000 0.548 518 R N -1.392 118.837 120.500 -0.452 0.000 2.583 518 R HA 0.542 4.881 4.340 -0.001 0.000 0.268 518 R C -0.233 175.867 176.300 -0.334 0.000 1.101 518 R CA -0.533 55.259 56.100 -0.514 0.000 1.180 518 R CB 0.871 30.602 30.300 -0.949 0.000 1.128 518 R HN 0.364 nan 8.270 nan 0.000 0.568 522 F N 0.893 121.163 119.950 0.533 0.000 2.492 522 F HA 0.487 5.013 4.527 -0.001 0.000 0.327 522 F C 1.203 177.100 175.800 0.163 0.000 1.079 522 F CA -0.192 58.047 58.000 0.397 0.000 0.967 522 F CB 2.009 41.314 39.000 0.508 0.000 1.169 522 F HN 0.800 nan 8.300 nan 0.000 0.472 523 G N 3.455 112.191 108.800 -0.108 0.000 2.272 523 G HA2 0.270 4.230 3.960 -0.001 0.000 0.247 523 G HA3 0.270 4.230 3.960 -0.001 0.000 0.247 523 G C -2.595 172.163 174.900 -0.237 0.000 1.272 523 G CA -0.862 43.719 45.100 -0.864 0.000 0.921 523 G HN 0.294 nan 8.290 nan 0.000 0.495 524 P HA 0.170 nan 4.420 nan 0.000 0.271 524 P C -0.562 176.711 177.300 -0.045 0.000 1.216 524 P CA 0.115 63.188 63.100 -0.045 0.000 0.776 524 P CB 1.402 32.942 31.700 -0.267 0.000 0.881 525 E N 1.400 121.627 120.200 0.046 0.000 2.241 525 E HA 0.172 4.522 4.350 -0.001 0.000 0.263 525 E C -0.645 175.977 176.600 0.037 0.000 0.882 525 E CA -0.634 55.783 56.400 0.029 0.000 0.769 525 E CB 1.119 30.846 29.700 0.045 0.000 1.185 525 E HN 0.378 nan 8.360 nan 0.000 0.415 526 E N 2.339 122.549 120.200 0.016 0.000 2.297 526 E HA -0.279 4.070 4.350 -0.001 0.000 0.228 526 E C -0.412 176.202 176.600 0.024 0.000 1.213 526 E CA 0.038 56.449 56.400 0.018 0.000 0.712 526 E CB -1.129 28.585 29.700 0.024 0.000 1.202 526 E HN 0.625 nan 8.360 nan 0.000 0.376 527 N N -0.720 117.988 118.700 0.012 0.000 2.708 527 N HA -0.173 4.566 4.740 -0.001 0.000 0.249 527 N C -0.592 174.957 175.510 0.064 0.000 1.097 527 N CA 1.985 55.046 53.050 0.017 0.000 0.710 527 N CB -0.951 37.541 38.487 0.009 0.000 1.032 527 N HN 0.673 nan 8.380 nan 0.000 0.551 528 T N -3.567 111.045 114.554 0.096 0.000 2.885 528 T HA 0.640 4.989 4.350 -0.001 0.000 0.285 528 T C -0.718 174.144 174.700 0.269 0.000 1.019 528 T CA -0.701 61.488 62.100 0.148 0.000 1.010 528 T CB 2.461 71.400 68.868 0.118 0.000 1.022 528 T HN 0.264 nan 8.240 nan 0.000 0.466 529 W N 2.310 123.630 121.300 0.033 0.000 3.274 529 W HA 0.633 5.292 4.660 -0.002 0.000 0.327 529 W C -2.338 174.195 176.519 0.023 0.000 1.172 529 W CA -1.258 56.131 57.345 0.072 0.000 1.217 529 W CB 1.629 31.160 29.460 0.118 0.000 1.376 529 W HN 0.720 nan 8.180 nan 0.000 0.507 530 V N 7.238 127.060 119.914 -0.154 0.000 2.588 530 V HA 0.560 4.679 4.120 -0.001 0.000 0.304 530 V C -1.053 174.822 176.094 -0.365 0.000 1.042 530 V CA -0.827 61.176 62.300 -0.495 0.000 0.877 530 V CB 1.227 32.558 31.823 -0.820 0.000 0.996 530 V HN 0.367 nan 8.190 nan 0.000 0.425 531 Y N 2.575 122.535 120.300 -0.566 0.000 2.615 531 Y HA 0.901 5.450 4.550 -0.002 0.000 0.341 531 Y C -1.771 173.940 175.900 -0.316 0.000 1.089 531 Y CA -1.842 56.120 58.100 -0.231 0.000 1.049 531 Y CB 1.641 39.906 38.460 -0.325 0.000 1.296 531 Y HN 0.373 nan 8.280 nan 0.000 0.470 532 F N 1.358 121.458 119.950 0.249 0.000 2.565 532 F HA 0.697 5.223 4.527 -0.001 0.000 0.313 532 F C -0.345 175.652 175.800 0.329 0.000 1.091 532 F CA -1.071 57.044 58.000 0.193 0.000 0.915 532 F CB 2.013 41.117 39.000 0.173 0.000 1.208 532 F HN 0.324 nan 8.300 nan 0.000 0.453 533 R N 2.326 123.079 120.500 0.421 0.000 2.460 533 R HA 0.560 4.900 4.340 -0.001 0.000 0.303 533 R C -1.406 175.111 176.300 0.362 0.000 0.968 533 R CA -0.824 55.455 56.100 0.298 0.000 0.889 533 R CB 1.477 31.866 30.300 0.147 0.000 1.123 533 R HN 0.804 nan 8.270 nan 0.000 0.455 534 Y N -0.537 119.814 120.300 0.085 0.000 2.624 534 Y HA 0.610 5.159 4.550 -0.001 0.000 0.334 534 Y C -0.988 174.921 175.900 0.015 0.000 1.155 534 Y CA -1.422 56.710 58.100 0.054 0.000 1.046 534 Y CB 1.331 39.831 38.460 0.067 0.000 1.316 534 Y HN 0.674 nan 8.280 nan 0.000 0.457 535 N N -0.571 118.186 118.700 0.096 0.000 3.364 535 N HA 0.187 4.926 4.740 -0.001 0.000 0.294 535 N C -0.420 175.147 175.510 0.094 0.000 1.562 535 N CA -0.687 52.377 53.050 0.024 0.000 0.862 535 N CB 0.617 39.071 38.487 -0.056 0.000 1.691 535 N HN 0.773 nan 8.380 nan 0.000 0.572 536 K N -1.057 119.372 120.400 0.047 0.000 2.504 536 K HA 0.012 4.331 4.320 -0.001 0.000 0.195 536 K C -0.699 175.917 176.600 0.026 0.000 1.036 536 K CA 1.158 57.470 56.287 0.042 0.000 0.984 536 K CB -0.153 32.360 32.500 0.023 0.000 0.788 536 K HN 0.483 nan 8.250 nan 0.000 0.488 537 D N 0.379 120.787 120.400 0.014 0.000 2.422 537 D HA 0.078 4.717 4.640 -0.001 0.000 0.218 537 D C 0.147 176.451 176.300 0.007 0.000 1.047 537 D CA 0.358 54.357 54.000 -0.001 0.000 0.885 537 D CB 0.788 41.571 40.800 -0.028 0.000 1.035 537 D HN 0.141 nan 8.370 nan 0.000 0.502 538 K N 0.091 120.507 120.400 0.026 0.000 2.597 538 K HA 0.415 4.735 4.320 -0.001 0.000 0.282 538 K C -1.464 175.195 176.600 0.099 0.000 0.975 538 K CA -0.552 55.760 56.287 0.041 0.000 0.867 538 K CB 2.563 35.061 32.500 -0.002 0.000 1.465 538 K HN -0.237 nan 8.250 nan 0.000 0.417 539 R N 2.464 123.038 120.500 0.124 0.000 2.599 539 R HA 0.581 4.921 4.340 -0.001 0.000 0.295 539 R C -0.464 175.948 176.300 0.186 0.000 0.963 539 R CA -0.608 55.615 56.100 0.204 0.000 0.883 539 R CB 1.490 31.914 30.300 0.206 0.000 1.171 539 R HN 0.458 nan 8.270 nan 0.000 0.450 546 N N 2.721 121.460 118.700 0.065 0.000 3.091 546 N HA 0.239 4.978 4.740 -0.001 0.000 0.301 546 N C -1.239 174.294 175.510 0.039 0.000 1.325 546 N CA 0.103 53.183 53.050 0.051 0.000 1.143 546 N CB -0.306 38.206 38.487 0.041 0.000 1.450 546 N HN 0.464 nan 8.380 nan 0.000 0.542 547 N N -0.190 118.534 118.700 0.041 0.000 2.329 547 N HA 0.040 4.779 4.740 -0.001 0.000 0.282 547 N C -1.361 174.171 175.510 0.036 0.000 1.198 547 N CA -0.491 52.580 53.050 0.034 0.000 0.790 547 N CB 1.511 40.017 38.487 0.031 0.000 1.579 547 N HN 0.136 nan 8.380 nan 0.000 0.475 548 D N 1.339 121.758 120.400 0.033 0.000 3.060 548 D HA 0.105 4.744 4.640 -0.001 0.000 0.245 548 D C -0.649 175.668 176.300 0.029 0.000 1.274 548 D CA 0.191 54.212 54.000 0.034 0.000 0.864 548 D CB -0.226 40.593 40.800 0.032 0.000 1.073 548 D HN 0.423 nan 8.370 nan 0.000 0.473 549 K N -1.412 119.006 120.400 0.029 0.000 2.568 549 K HA 0.542 4.861 4.320 -0.001 0.000 0.273 549 K C -3.256 173.359 176.600 0.026 0.000 0.951 549 K CA -1.696 54.606 56.287 0.025 0.000 0.854 549 K CB 1.326 33.839 32.500 0.022 0.000 1.424 549 K HN -0.293 nan 8.250 nan 0.000 0.427 553 L N 4.088 125.353 121.223 0.070 0.000 2.319 553 L HA 0.492 4.831 4.340 -0.001 0.000 0.281 553 L C -2.432 174.488 176.870 0.084 0.000 1.005 553 L CA -2.511 52.391 54.840 0.104 0.000 0.828 553 L CB 1.013 43.210 42.059 0.230 0.000 1.227 553 L HN 0.351 nan 8.230 nan 0.000 0.415 554 P HA 0.066 nan 4.420 nan 0.000 0.264 554 P C 0.939 178.204 177.300 -0.059 0.000 1.193 554 P CA 0.113 63.194 63.100 -0.032 0.000 0.763 554 P CB 0.457 32.112 31.700 -0.075 0.000 0.810 555 T N -0.202 114.362 114.554 0.017 0.000 3.160 555 T HA 0.051 4.400 4.350 -0.001 0.000 0.257 555 T C 1.641 176.307 174.700 -0.056 0.000 1.147 555 T CA 0.597 62.748 62.100 0.086 0.000 1.064 555 T CB -0.499 68.452 68.868 0.138 0.000 0.949 555 T HN 0.287 nan 8.240 nan 0.000 0.526 556 A N 2.377 125.127 122.820 -0.117 0.000 1.940 556 A HA -0.079 4.240 4.320 -0.001 0.000 0.219 556 A C 2.466 179.923 177.584 -0.211 0.000 1.176 556 A CA 1.578 53.544 52.037 -0.119 0.000 0.631 556 A CB -0.782 18.162 19.000 -0.094 0.000 0.814 556 A HN 0.536 nan 8.150 nan 0.000 0.446 557 R N -1.430 118.811 120.500 -0.431 0.000 2.127 557 R HA -0.154 4.186 4.340 -0.001 0.000 0.238 557 R C 0.493 176.413 176.300 -0.635 0.000 1.134 557 R CA 1.836 57.557 56.100 -0.630 0.000 0.975 557 R CB -0.279 29.365 30.300 -1.094 0.000 0.865 557 R HN 0.491 nan 8.270 nan 0.000 0.447 558 F N 0.274 120.079 119.950 -0.242 0.000 2.639 558 F HA 0.243 4.770 4.527 -0.001 0.000 0.300 558 F C 1.610 177.319 175.800 -0.151 0.000 1.109 558 F CA -0.422 57.363 58.000 -0.359 0.000 1.335 558 F CB 0.259 39.046 39.000 -0.355 0.000 1.014 558 F HN -0.110 nan 8.300 nan 0.000 0.537 559 Q N 1.391 121.202 119.800 0.018 0.000 2.181 559 Q HA -0.144 4.195 4.340 -0.001 0.000 0.205 559 Q C 1.127 177.113 176.000 -0.023 0.000 0.980 559 Q CA 0.908 56.710 55.803 -0.002 0.000 0.862 559 Q CB -0.381 28.349 28.738 -0.013 0.000 0.905 559 Q HN 0.650 nan 8.270 nan 0.000 0.429 563 K N 1.525 121.887 120.400 -0.062 0.000 3.177 563 K HA -0.191 4.128 4.320 -0.001 0.000 0.266 563 K C 1.192 177.782 176.600 -0.017 0.000 0.937 563 K CA 1.047 57.309 56.287 -0.041 0.000 0.702 563 K CB -2.156 30.313 32.500 -0.052 0.000 1.365 563 K HN 0.802 nan 8.250 nan 0.000 0.466 564 G N -1.598 107.198 108.800 -0.005 0.000 2.162 564 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.260 564 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.260 564 G C 0.335 175.241 174.900 0.011 0.000 0.976 564 G CA 0.715 45.817 45.100 0.003 0.000 0.655 564 G HN 1.069 nan 8.290 nan 0.000 0.533 565 A N 0.931 123.760 122.820 0.015 0.000 2.545 565 A HA 0.528 4.847 4.320 -0.001 0.000 0.253 565 A C 0.250 177.850 177.584 0.028 0.000 1.074 565 A CA 0.218 52.270 52.037 0.025 0.000 0.760 565 A CB 0.452 19.474 19.000 0.037 0.000 1.005 565 A HN 0.252 nan 8.150 nan 0.000 0.506 566 P HA -0.027 nan 4.420 nan 0.000 0.220 566 P C 0.334 177.648 177.300 0.023 0.000 1.152 566 P CA 1.511 64.623 63.100 0.021 0.000 0.812 566 P CB 0.102 31.812 31.700 0.016 0.000 0.792 567 S N -2.832 112.883 115.700 0.025 0.000 2.655 567 S HA 0.694 5.163 4.470 -0.001 0.000 0.266 567 S C -0.705 173.911 174.600 0.027 0.000 1.149 567 S CA -0.275 57.938 58.200 0.023 0.000 0.818 567 S CB 1.343 64.553 63.200 0.017 0.000 1.130 567 S HN 0.342 nan 8.310 nan 0.000 0.476 568 G N -0.483 108.331 108.800 0.022 0.000 2.646 568 G HA2 0.557 4.516 3.960 -0.001 0.000 0.291 568 G HA3 0.557 4.516 3.960 -0.001 0.000 0.291 568 G C -1.771 173.141 174.900 0.021 0.000 1.445 568 G CA -0.499 44.617 45.100 0.028 0.000 0.814 568 G HN 1.084 nan 8.290 nan 0.000 0.495 569 V N 1.014 120.947 119.914 0.031 0.000 2.465 569 V HA 0.308 4.427 4.120 -0.001 0.000 0.279 569 V C -0.062 176.048 176.094 0.027 0.000 1.045 569 V CA -0.378 61.939 62.300 0.028 0.000 0.938 569 V CB 1.528 33.377 31.823 0.044 0.000 0.986 569 V HN 0.780 nan 8.190 nan 0.000 0.467 570 D N 3.283 123.681 120.400 -0.004 0.000 2.344 570 D HA 0.039 4.678 4.640 -0.001 0.000 0.253 570 D C 0.700 176.982 176.300 -0.031 0.000 1.255 570 D CA -0.252 53.733 54.000 -0.026 0.000 0.894 570 D CB 0.493 41.259 40.800 -0.057 0.000 1.067 570 D HN 0.394 nan 8.370 nan 0.000 0.492 571 F N 4.270 124.108 119.950 -0.187 0.000 2.192 571 F HA -0.178 4.348 4.527 -0.002 0.000 0.301 571 F C 1.328 176.965 175.800 -0.272 0.000 1.079 571 F CA 1.373 59.206 58.000 -0.277 0.000 1.303 571 F CB -0.025 38.649 39.000 -0.543 0.000 1.024 571 F HN 0.473 nan 8.300 nan 0.000 0.494 572 L N -0.554 120.434 121.223 -0.392 0.000 2.044 572 L HA -0.160 4.179 4.340 -0.001 0.000 0.205 572 L C 2.513 179.196 176.870 -0.313 0.000 1.075 572 L CA 1.726 56.320 54.840 -0.409 0.000 0.747 572 L CB -1.033 40.905 42.059 -0.202 0.000 0.903 572 L HN 0.307 nan 8.230 nan 0.000 0.435 573 S N -1.566 114.015 115.700 -0.198 0.000 2.511 573 S HA 0.193 4.662 4.470 -0.001 0.000 0.214 573 S C 1.592 176.119 174.600 -0.121 0.000 0.997 573 S CA 0.401 58.522 58.200 -0.132 0.000 0.908 573 S CB 0.874 64.027 63.200 -0.078 0.000 0.803 573 S HN 0.532 nan 8.310 nan 0.000 0.504 574 G N 1.744 110.464 108.800 -0.135 0.000 2.257 574 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.267 574 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.267 574 G C 0.111 174.986 174.900 -0.042 0.000 0.984 574 G CA 0.576 45.627 45.100 -0.082 0.000 0.626 574 G HN 0.609 nan 8.290 nan 0.000 0.540 575 K N 0.965 121.339 120.400 -0.044 0.000 2.380 575 K HA 0.364 4.684 4.320 -0.001 0.000 0.267 575 K C 0.347 176.937 176.600 -0.016 0.000 0.990 575 K CA 0.479 56.750 56.287 -0.027 0.000 0.946 575 K CB 0.336 32.819 32.500 -0.028 0.000 0.937 575 K HN 0.120 nan 8.250 nan 0.000 0.491 576 T N 1.837 116.386 114.554 -0.008 0.000 2.817 576 T HA 0.246 4.595 4.350 -0.001 0.000 0.293 576 T C -0.397 174.300 174.700 -0.005 0.000 0.964 576 T CA -0.621 61.478 62.100 -0.001 0.000 1.085 576 T CB 0.699 69.569 68.868 0.004 0.000 0.921 576 T HN 0.179 nan 8.240 nan 0.000 0.502 577 V N 2.792 122.703 119.914 -0.005 0.000 2.448 577 V HA 0.649 4.768 4.120 -0.001 0.000 0.295 577 V C 0.812 176.907 176.094 0.001 0.000 1.025 577 V CA -1.149 61.146 62.300 -0.008 0.000 0.859 577 V CB 1.684 33.495 31.823 -0.021 0.000 0.988 577 V HN 0.986 nan 8.190 nan 0.000 0.431 578 G N 3.120 111.922 108.800 0.004 0.000 2.390 578 G HA2 0.524 4.484 3.960 -0.001 0.000 0.270 578 G HA3 0.524 4.484 3.960 -0.001 0.000 0.270 578 G C 0.110 175.020 174.900 0.017 0.000 1.211 578 G CA -0.303 44.803 45.100 0.011 0.000 0.842 578 G HN 0.748 nan 8.290 nan 0.000 0.519 579 L N 2.673 123.911 121.223 0.025 0.000 3.135 579 L HA 0.216 4.555 4.340 -0.001 0.000 0.279 579 L C 2.387 179.282 176.870 0.041 0.000 1.200 579 L CA 0.159 55.023 54.840 0.040 0.000 1.016 579 L CB 0.721 42.811 42.059 0.051 0.000 1.391 579 L HN 0.717 nan 8.230 nan 0.000 0.588 580 G N 0.530 109.346 108.800 0.028 0.000 2.433 580 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.216 580 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.216 580 G C 1.713 176.624 174.900 0.019 0.000 1.186 580 G CA 0.765 45.878 45.100 0.021 0.000 0.779 580 G HN 0.231 nan 8.290 nan 0.000 0.543 581 R N -0.295 120.217 120.500 0.019 0.000 2.243 581 R HA 0.250 4.589 4.340 -0.001 0.000 0.193 581 R C -0.090 176.220 176.300 0.018 0.000 0.933 581 R CA 0.657 56.764 56.100 0.013 0.000 1.105 581 R CB 0.601 30.906 30.300 0.008 0.000 1.169 581 R HN 0.567 nan 8.270 nan 0.000 0.599 582 E N 0.028 120.244 120.200 0.027 0.000 2.412 582 E HA 0.285 4.634 4.350 -0.001 0.000 0.279 582 E C -1.786 174.838 176.600 0.041 0.000 0.984 582 E CA -0.897 55.525 56.400 0.036 0.000 0.788 582 E CB 1.650 31.363 29.700 0.023 0.000 1.277 582 E HN -0.077 nan 8.360 nan 0.000 0.455 583 L N 1.394 122.650 121.223 0.055 0.000 2.298 583 L HA 0.508 4.847 4.340 -0.001 0.000 0.284 583 L C -0.986 175.899 176.870 0.024 0.000 1.013 583 L CA -0.599 54.261 54.840 0.034 0.000 0.824 583 L CB 1.201 43.279 42.059 0.031 0.000 1.221 583 L HN 0.527 nan 8.230 nan 0.000 0.418 584 R N 5.852 126.359 120.500 0.011 0.000 2.204 584 R HA 0.468 4.807 4.340 -0.001 0.000 0.341 584 R C -1.442 174.860 176.300 0.003 0.000 1.035 584 R CA -0.430 55.676 56.100 0.010 0.000 0.887 584 R CB 0.148 30.453 30.300 0.008 0.000 1.114 584 R HN 0.717 nan 8.270 nan 0.000 0.473 585 L N 3.325 124.552 121.223 0.007 0.000 2.282 585 L HA 0.497 4.836 4.340 -0.001 0.000 0.288 585 L C 0.803 177.680 176.870 0.012 0.000 1.033 585 L CA -0.854 53.987 54.840 0.003 0.000 0.807 585 L CB 1.684 43.746 42.059 0.004 0.000 1.209 585 L HN 0.544 nan 8.230 nan 0.000 0.423 586 A N 5.264 128.091 122.820 0.012 0.000 2.366 586 A HA 0.484 4.803 4.320 -0.001 0.000 0.250 586 A C -2.337 175.263 177.584 0.028 0.000 1.099 586 A CA -1.079 50.969 52.037 0.019 0.000 0.794 586 A CB -0.445 18.566 19.000 0.019 0.000 1.056 586 A HN 0.455 nan 8.150 nan 0.000 0.499 587 P HA 0.137 nan 4.420 nan 0.000 0.268 587 P C -0.460 176.871 177.300 0.051 0.000 1.204 587 P CA 0.220 63.343 63.100 0.039 0.000 0.768 587 P CB 0.217 31.939 31.700 0.038 0.000 0.842 588 K N -0.598 119.835 120.400 0.055 0.000 3.035 588 K HA -0.144 4.176 4.320 -0.001 0.000 0.262 588 K C 0.093 176.738 176.600 0.075 0.000 1.024 588 K CA 0.701 57.030 56.287 0.070 0.000 0.748 588 K CB -1.742 30.810 32.500 0.086 0.000 1.247 588 K HN 0.719 nan 8.250 nan 0.000 0.482 589 S N -1.329 114.404 115.700 0.055 0.000 2.718 589 S HA 0.781 5.250 4.470 -0.001 0.000 0.300 589 S C -0.282 174.334 174.600 0.028 0.000 1.117 589 S CA -0.680 57.548 58.200 0.046 0.000 1.002 589 S CB 2.848 66.066 63.200 0.029 0.000 1.092 589 S HN 0.185 nan 8.310 nan 0.000 0.542 590 V N 0.644 120.564 119.914 0.009 0.000 2.888 590 V HA 0.754 4.873 4.120 -0.001 0.000 0.309 590 V C -1.542 174.517 176.094 -0.057 0.000 1.114 590 V CA -0.485 61.801 62.300 -0.023 0.000 0.940 590 V CB 1.910 33.728 31.823 -0.008 0.000 1.021 590 V HN 0.947 nan 8.190 nan 0.000 0.426 591 V N 5.949 125.800 119.914 -0.104 0.000 2.735 591 V HA 0.638 4.757 4.120 -0.001 0.000 0.310 591 V C -0.781 175.212 176.094 -0.168 0.000 1.061 591 V CA -0.464 61.764 62.300 -0.120 0.000 0.913 591 V CB 2.445 34.199 31.823 -0.116 0.000 1.005 591 V HN 0.709 nan 8.190 nan 0.000 0.428 592 V N 6.313 126.143 119.914 -0.140 0.000 2.357 592 V HA 0.496 4.616 4.120 -0.001 0.000 0.281 592 V C -0.337 175.707 176.094 -0.084 0.000 1.015 592 V CA -0.266 61.949 62.300 -0.143 0.000 0.827 592 V CB 1.279 33.011 31.823 -0.151 0.000 1.018 592 V HN 0.630 nan 8.190 nan 0.000 0.432 593 I N 4.068 124.579 120.570 -0.097 0.000 2.359 593 I HA 0.443 4.612 4.170 -0.001 0.000 0.294 593 I C 0.224 176.353 176.117 0.021 0.000 0.987 593 I CA -0.409 60.869 61.300 -0.036 0.000 1.225 593 I CB 1.672 39.634 38.000 -0.063 0.000 1.366 593 I HN 0.565 nan 8.210 nan 0.000 0.466 594 E N 7.224 127.464 120.200 0.067 0.000 2.175 594 E HA 0.675 5.024 4.350 -0.001 0.000 0.278 594 E C -1.090 175.559 176.600 0.081 0.000 0.969 594 E CA -0.626 55.834 56.400 0.099 0.000 0.796 594 E CB 2.264 32.042 29.700 0.131 0.000 1.104 594 E HN 0.410 nan 8.360 nan 0.000 0.395 595 L N 2.950 124.226 121.223 0.087 0.000 2.376 595 L HA 0.499 4.838 4.340 -0.001 0.000 0.258 595 L C -2.464 174.444 176.870 0.064 0.000 1.013 595 L CA -2.552 52.333 54.840 0.076 0.000 0.822 595 L CB 2.031 44.145 42.059 0.093 0.000 1.388 595 L HN 0.301 nan 8.230 nan 0.000 0.413 596 P HA 0.090 nan 4.420 nan 0.000 0.271 596 P C -0.163 177.161 177.300 0.041 0.000 1.233 596 P CA -0.217 62.904 63.100 0.036 0.000 0.789 596 P CB 0.398 32.114 31.700 0.027 0.000 0.951 597 G N 0.290 109.112 108.800 0.036 0.000 2.684 597 G HA2 0.262 4.221 3.960 -0.001 0.000 0.255 597 G HA3 0.262 4.221 3.960 -0.001 0.000 0.255 597 G C -0.290 174.630 174.900 0.033 0.000 1.219 597 G CA -0.281 44.846 45.100 0.045 0.000 0.901 597 G HN 0.455 nan 8.290 nan 0.000 0.548 598 L N 1.164 122.410 121.223 0.038 0.000 2.470 598 L HA 0.286 4.625 4.340 -0.001 0.000 0.243 598 L C -0.060 176.817 176.870 0.012 0.000 1.227 598 L CA -0.900 53.946 54.840 0.011 0.000 0.824 598 L CB -0.016 42.046 42.059 0.005 0.000 1.175 598 L HN 0.451 nan 8.230 nan 0.000 0.503 599 P HA -0.141 nan 4.420 nan 0.000 0.220 599 P C -0.087 177.217 177.300 0.006 0.000 1.155 599 P CA 2.226 65.327 63.100 0.001 0.000 0.880 599 P CB -0.105 31.594 31.700 -0.001 0.000 0.790 600 E N 0.000 120.206 120.200 0.009 0.000 2.725 600 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 600 E CA 0.000 nan 56.400 nan 0.000 0.976 600 E CB 0.000 nan 29.700 nan 0.000 0.812 600 E HN 0.000 nan 8.360 nan 0.000 0.440