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 2b11_1_A DATA FIRST_RESID 1 DATA SEQUENCE TTPLVHVASV EKGRSYEDFQ KVYNAIALKL REDDEYDNYI GYGPVLVRLA DATA SEQUENCE WHTSGTWDKH DNTGGSYGGT YRFKKEFNDP SNAGLQNGFK FLEPIHKEFP DATA SEQUENCE WISSGDLFSL GGVTAVQEMQ GPKIPWRCGR VDTPEDTTPD NGRLPDADKD DATA SEQUENCE ADYVRTFFQR LNMNDREVVA LMGAHALGKT HLKNSGYEGP WGAANNVFTN DATA SEQUENCE EFYLNLLNED WKLEKNDANN EQWDSKSGYM MLPTDYSLIQ DPKYLSIVKE DATA SEQUENCE YANDQDKFFK DFSKAFEKLL ENGITFPKDA PSPFIFKTLE EQGL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.684 174.700 -0.027 0.000 1.109 1 T CA 0.000 62.088 62.100 -0.020 0.000 1.349 1 T CB 0.000 68.857 68.868 -0.019 0.000 0.612 2 T N 3.297 117.834 114.554 -0.029 0.000 0.541 2 T HA -0.056 4.319 4.350 0.042 0.000 0.774 2 T C -2.815 171.856 174.700 -0.049 0.000 0.992 2 T CA 0.325 62.403 62.100 -0.036 0.000 4.077 2 T CB -0.147 68.700 68.868 -0.036 0.000 2.303 2 T HN 0.495 nan 8.240 nan 0.000 0.398 3 P HA 0.357 nan 4.420 nan 0.000 0.272 3 P C -0.137 177.095 177.300 -0.113 0.000 1.254 3 P CA -0.468 62.584 63.100 -0.080 0.000 0.795 3 P CB 0.182 31.833 31.700 -0.082 0.000 1.022 4 L N -0.464 120.660 121.223 -0.164 0.000 2.416 4 L HA 0.217 4.582 4.340 0.042 0.000 0.272 4 L C 0.349 177.003 176.870 -0.360 0.000 1.161 4 L CA -0.374 54.320 54.840 -0.244 0.000 0.845 4 L CB -0.130 41.745 42.059 -0.307 0.000 1.119 4 L HN 0.021 nan 8.230 nan 0.000 0.464 5 V N 2.532 122.279 119.914 -0.278 0.000 2.350 5 V HA 0.222 4.367 4.120 0.042 0.000 0.276 5 V C -0.239 175.687 176.094 -0.280 0.000 1.028 5 V CA -0.531 61.617 62.300 -0.253 0.000 0.860 5 V CB 0.654 32.397 31.823 -0.134 0.000 0.990 5 V HN 0.553 nan 8.190 nan 0.000 0.453 6 H N 3.797 122.641 119.070 -0.377 0.000 2.724 6 H HA 0.389 4.968 4.556 0.040 0.000 0.278 6 H C -0.300 174.664 175.328 -0.606 0.000 1.159 6 H CA -0.456 55.122 56.048 -0.783 0.000 1.254 6 H CB 1.319 30.321 29.762 -1.268 0.000 1.412 6 H HN 0.387 nan 8.280 nan 0.000 0.488 7 V N 2.569 122.367 119.914 -0.193 0.000 2.461 7 V HA 0.304 4.449 4.120 0.042 0.000 0.275 7 V C 0.913 177.043 176.094 0.059 0.000 1.047 7 V CA -0.990 61.261 62.300 -0.083 0.000 0.955 7 V CB 0.902 32.714 31.823 -0.018 0.000 0.988 7 V HN 0.825 nan 8.190 nan 0.000 0.471 8 A N 4.136 126.917 122.820 -0.065 0.000 2.451 8 A HA 0.473 4.818 4.320 0.042 0.000 0.266 8 A C 0.510 178.121 177.584 0.045 0.000 1.119 8 A CA 0.163 52.188 52.037 -0.020 0.000 0.786 8 A CB 0.260 19.102 19.000 -0.264 0.000 1.061 8 A HN 0.848 nan 8.150 nan 0.000 0.503 9 S N 2.883 118.626 115.700 0.071 0.000 2.640 9 S HA 0.462 4.957 4.470 0.042 0.000 0.320 9 S C -0.206 174.446 174.600 0.087 0.000 1.097 9 S CA -0.427 57.817 58.200 0.075 0.000 1.092 9 S CB 0.272 63.519 63.200 0.079 0.000 0.988 9 S HN 1.586 nan 8.310 nan 0.000 0.470 10 V N 3.192 123.172 119.914 0.110 0.000 2.585 10 V HA 0.445 4.590 4.120 0.042 0.000 0.296 10 V C 0.111 176.319 176.094 0.191 0.000 1.035 10 V CA -0.446 61.958 62.300 0.173 0.000 1.084 10 V CB -0.122 31.812 31.823 0.185 0.000 0.953 10 V HN 0.830 nan 8.190 nan 0.000 0.483 11 E N 3.495 123.861 120.200 0.277 0.000 2.417 11 E HA 0.084 4.459 4.350 0.042 0.000 0.261 11 E C 0.333 177.019 176.600 0.143 0.000 1.000 11 E CA 0.034 56.580 56.400 0.244 0.000 0.919 11 E CB 0.272 30.210 29.700 0.397 0.000 0.955 11 E HN 0.657 nan 8.360 nan 0.000 0.455 12 K N 2.656 123.110 120.400 0.089 0.000 2.392 12 K HA -0.219 4.126 4.320 0.042 0.000 0.259 12 K C 0.745 177.326 176.600 -0.032 0.000 1.141 12 K CA 1.227 57.533 56.287 0.033 0.000 1.208 12 K CB -0.532 31.985 32.500 0.028 0.000 0.786 12 K HN 0.903 nan 8.250 nan 0.000 0.498 13 G N 3.788 112.578 108.800 -0.017 0.000 2.168 13 G HA2 -0.270 3.715 3.960 0.042 0.000 0.257 13 G HA3 -0.270 3.715 3.960 0.042 0.000 0.257 13 G C -0.093 174.745 174.900 -0.103 0.000 0.997 13 G CA 0.286 45.355 45.100 -0.052 0.000 0.708 13 G HN 0.594 nan 8.290 nan 0.000 0.520 14 R N 0.273 120.720 120.500 -0.088 0.000 2.486 14 R HA 0.769 5.134 4.340 0.042 0.000 0.286 14 R C 0.487 176.850 176.300 0.105 0.000 0.999 14 R CA 0.310 56.313 56.100 -0.161 0.000 0.993 14 R CB 1.591 31.673 30.300 -0.363 0.000 1.084 14 R HN 0.646 nan 8.270 nan 0.000 0.487 15 S N 0.160 115.910 115.700 0.083 0.000 2.911 15 S HA 0.191 4.686 4.470 0.042 0.000 0.319 15 S C 0.844 175.551 174.600 0.177 0.000 1.154 15 S CA -0.787 57.554 58.200 0.235 0.000 0.857 15 S CB 0.443 63.728 63.200 0.142 0.000 1.279 15 S HN 0.665 nan 8.310 nan 0.000 0.593 16 Y N 1.301 121.486 120.300 -0.193 0.000 2.062 16 Y HA -0.226 4.348 4.550 0.040 0.000 0.276 16 Y C 2.445 178.276 175.900 -0.115 0.000 1.189 16 Y CA 2.580 60.374 58.100 -0.511 0.000 1.130 16 Y CB -0.279 37.917 38.460 -0.439 0.000 0.959 16 Y HN 0.692 nan 8.280 nan 0.000 0.499 17 E N 0.200 120.454 120.200 0.089 0.000 2.160 17 E HA -0.215 4.160 4.350 0.042 0.000 0.195 17 E C 1.807 178.352 176.600 -0.092 0.000 0.991 17 E CA 1.473 57.884 56.400 0.018 0.000 0.810 17 E CB -0.294 29.449 29.700 0.071 0.000 0.742 17 E HN 0.696 nan 8.360 nan 0.000 0.466 18 D N -0.649 119.658 120.400 -0.155 0.000 2.149 18 D HA -0.098 4.567 4.640 0.042 0.000 0.201 18 D C 1.723 177.863 176.300 -0.266 0.000 0.972 18 D CA 0.707 54.541 54.000 -0.277 0.000 0.835 18 D CB -0.137 40.290 40.800 -0.622 0.000 0.966 18 D HN 0.217 nan 8.370 nan 0.000 0.476 19 F N 0.777 120.701 119.950 -0.043 0.000 2.416 19 F HA -0.058 4.497 4.527 0.046 0.000 0.296 19 F C 2.596 178.079 175.800 -0.528 0.000 1.099 19 F CA 0.243 58.168 58.000 -0.124 0.000 1.427 19 F CB 0.021 39.146 39.000 0.207 0.000 1.079 19 F HN -0.174 nan 8.300 nan 0.000 0.536 20 Q N 1.299 120.902 119.800 -0.329 0.000 2.167 20 Q HA -0.148 4.217 4.340 0.042 0.000 0.202 20 Q C 1.691 177.528 176.000 -0.272 0.000 0.970 20 Q CA 1.655 57.189 55.803 -0.450 0.000 0.855 20 Q CB -0.212 28.326 28.738 -0.332 0.000 0.911 20 Q HN 0.258 nan 8.270 nan 0.000 0.438 21 K N -1.050 119.216 120.400 -0.222 0.000 2.288 21 K HA 0.002 4.347 4.320 0.042 0.000 0.201 21 K C 1.781 178.202 176.600 -0.298 0.000 1.048 21 K CA 0.987 57.194 56.287 -0.134 0.000 0.956 21 K CB 0.285 32.787 32.500 0.004 0.000 0.746 21 K HN 0.069 nan 8.250 nan 0.000 0.461 22 V N 0.291 119.829 119.914 -0.627 0.000 2.446 22 V HA -0.206 3.939 4.120 0.042 0.000 0.244 22 V C 1.931 177.771 176.094 -0.423 0.000 1.039 22 V CA 1.226 63.054 62.300 -0.787 0.000 1.045 22 V CB -0.518 30.774 31.823 -0.885 0.000 0.681 22 V HN 0.244 nan 8.190 nan 0.000 0.459 23 Y N 2.028 121.970 120.300 -0.597 0.000 2.097 23 Y HA -0.278 4.296 4.550 0.040 0.000 0.282 23 Y C 2.345 178.059 175.900 -0.310 0.000 1.152 23 Y CA 2.298 60.062 58.100 -0.559 0.000 1.136 23 Y CB -0.646 37.271 38.460 -0.905 0.000 0.975 23 Y HN 0.316 nan 8.280 nan 0.000 0.498 24 N N -0.083 118.583 118.700 -0.057 0.000 2.272 24 N HA -0.213 4.552 4.740 0.042 0.000 0.185 24 N C 1.865 177.335 175.510 -0.066 0.000 1.014 24 N CA 0.681 53.719 53.050 -0.020 0.000 0.870 24 N CB -0.266 38.244 38.487 0.039 0.000 0.975 24 N HN 0.512 nan 8.380 nan 0.000 0.433 25 A N 1.124 123.908 122.820 -0.060 0.000 1.898 25 A HA -0.015 4.330 4.320 0.042 0.000 0.214 25 A C 2.097 179.612 177.584 -0.115 0.000 1.183 25 A CA 0.732 52.754 52.037 -0.025 0.000 0.622 25 A CB -0.377 18.715 19.000 0.154 0.000 0.824 25 A HN 0.133 nan 8.150 nan 0.000 0.444 26 I N -0.081 120.395 120.570 -0.156 0.000 2.252 26 I HA -0.242 3.953 4.170 0.042 0.000 0.245 26 I C 2.924 179.000 176.117 -0.068 0.000 1.102 26 I CA 1.040 62.279 61.300 -0.101 0.000 1.385 26 I CB -0.270 37.649 38.000 -0.135 0.000 1.064 26 I HN 0.332 nan 8.210 nan 0.000 0.414 27 A N 0.609 123.299 122.820 -0.217 0.000 1.933 27 A HA -0.130 4.215 4.320 0.042 0.000 0.218 27 A C 2.322 179.872 177.584 -0.057 0.000 1.175 27 A CA 1.339 53.266 52.037 -0.184 0.000 0.628 27 A CB -0.717 18.110 19.000 -0.287 0.000 0.814 27 A HN 0.385 nan 8.150 nan 0.000 0.444 28 L N -1.107 120.086 121.223 -0.051 0.000 2.156 28 L HA -0.089 4.276 4.340 0.042 0.000 0.208 28 L C 2.591 179.456 176.870 -0.009 0.000 1.095 28 L CA 1.426 56.255 54.840 -0.019 0.000 0.770 28 L CB -0.246 41.797 42.059 -0.026 0.000 0.914 28 L HN 0.427 nan 8.230 nan 0.000 0.439 29 K N -0.141 120.233 120.400 -0.044 0.000 2.217 29 K HA -0.169 4.176 4.320 0.042 0.000 0.202 29 K C 2.042 178.727 176.600 0.141 0.000 1.051 29 K CA 0.733 56.966 56.287 -0.090 0.000 0.952 29 K CB 0.181 32.435 32.500 -0.410 0.000 0.736 29 K HN 0.086 nan 8.250 nan 0.000 0.453 30 L N 1.235 122.610 121.223 0.252 0.000 2.109 30 L HA -0.087 4.278 4.340 0.042 0.000 0.207 30 L C 2.352 179.334 176.870 0.186 0.000 1.086 30 L CA 1.552 56.563 54.840 0.284 0.000 0.760 30 L CB -0.434 41.712 42.059 0.145 0.000 0.910 30 L HN 0.112 nan 8.230 nan 0.000 0.437 31 R N -0.707 119.864 120.500 0.119 0.000 2.119 31 R HA -0.118 4.247 4.340 0.042 0.000 0.222 31 R C 2.184 178.546 176.300 0.104 0.000 1.088 31 R CA 1.356 57.514 56.100 0.097 0.000 0.984 31 R CB -0.203 30.134 30.300 0.062 0.000 0.884 31 R HN 0.496 nan 8.270 nan 0.000 0.447 32 E N 0.378 120.634 120.200 0.094 0.000 2.033 32 E HA -0.124 4.251 4.350 0.042 0.000 0.189 32 E C -0.203 176.466 176.600 0.115 0.000 0.979 32 E CA 1.270 57.718 56.400 0.079 0.000 0.802 32 E CB 0.063 29.781 29.700 0.030 0.000 0.763 32 E HN 0.360 nan 8.360 nan 0.000 0.449 33 D N 1.670 122.174 120.400 0.173 0.000 2.943 33 D HA -0.006 4.659 4.640 0.042 0.000 0.249 33 D C -0.354 176.113 176.300 0.279 0.000 1.231 33 D CA -0.013 54.135 54.000 0.246 0.000 0.979 33 D CB 0.535 41.545 40.800 0.349 0.000 1.053 33 D HN 0.220 nan 8.370 nan 0.000 0.504 34 D N -0.210 120.291 120.400 0.169 0.000 2.328 34 D HA -0.097 4.568 4.640 0.042 0.000 0.226 34 D C 1.217 177.494 176.300 -0.039 0.000 1.066 34 D CA 0.152 54.236 54.000 0.140 0.000 0.861 34 D CB 0.267 41.176 40.800 0.182 0.000 0.912 34 D HN 0.306 nan 8.370 nan 0.000 0.521 35 E N -0.624 119.461 120.200 -0.193 0.000 2.230 35 E HA -0.043 4.332 4.350 0.042 0.000 0.192 35 E C 0.003 176.325 176.600 -0.463 0.000 0.987 35 E CA -0.231 55.770 56.400 -0.665 0.000 0.841 35 E CB -0.074 29.398 29.700 -0.381 0.000 0.783 35 E HN 0.342 nan 8.360 nan 0.000 0.481 36 Y N 1.797 121.891 120.300 -0.344 0.000 2.810 36 Y HA -0.134 4.441 4.550 0.041 0.000 0.332 36 Y C 0.081 175.802 175.900 -0.298 0.000 1.243 36 Y CA 0.621 58.484 58.100 -0.395 0.000 1.537 36 Y CB 0.316 38.280 38.460 -0.825 0.000 1.265 36 Y HN 0.048 nan 8.280 nan 0.000 0.572 37 D N 5.297 125.168 120.400 -0.882 0.000 2.812 37 D HA -0.296 4.369 4.640 0.042 0.000 0.237 37 D C -0.602 175.547 176.300 -0.251 0.000 1.162 37 D CA 1.353 54.963 54.000 -0.650 0.000 0.740 37 D CB -1.286 39.026 40.800 -0.815 0.000 1.000 37 D HN 0.813 nan 8.370 nan 0.000 0.416 38 N N 1.094 119.696 118.700 -0.163 0.000 2.705 38 N HA -0.298 4.467 4.740 0.042 0.000 0.255 38 N C 0.096 175.701 175.510 0.158 0.000 1.008 38 N CA 1.392 54.454 53.050 0.020 0.000 0.742 38 N CB -1.468 37.037 38.487 0.030 0.000 0.906 38 N HN 0.704 nan 8.380 nan 0.000 0.541 39 Y N -3.298 116.981 120.300 -0.034 0.000 4.668 39 Y HA -0.309 4.266 4.550 0.041 0.000 0.234 39 Y C 1.650 177.559 175.900 0.015 0.000 1.056 39 Y CA 0.930 59.033 58.100 0.005 0.000 2.025 39 Y CB -1.980 36.491 38.460 0.018 0.000 1.613 39 Y HN 0.441 nan 8.280 nan 0.000 0.653 40 I N -0.321 120.293 120.570 0.072 0.000 2.439 40 I HA 0.044 4.239 4.170 0.042 0.000 0.251 40 I C 1.746 177.917 176.117 0.090 0.000 1.139 40 I CA 1.253 62.597 61.300 0.073 0.000 1.438 40 I CB -0.386 37.636 38.000 0.035 0.000 1.085 40 I HN 0.533 nan 8.210 nan 0.000 0.427 41 G N -0.239 108.606 108.800 0.076 0.000 2.728 41 G HA2 -0.292 3.693 3.960 0.042 0.000 0.294 41 G HA3 -0.292 3.693 3.960 0.042 0.000 0.294 41 G C -0.241 174.767 174.900 0.179 0.000 1.342 41 G CA -0.304 44.877 45.100 0.134 0.000 0.866 41 G HN 0.144 nan 8.290 nan 0.000 0.534 42 Y N 1.603 121.932 120.300 0.048 0.000 2.490 42 Y HA 0.265 4.839 4.550 0.041 0.000 0.281 42 Y C 2.716 178.478 175.900 -0.230 0.000 1.174 42 Y CA 1.235 59.212 58.100 -0.205 0.000 1.295 42 Y CB 0.193 38.216 38.460 -0.729 0.000 1.062 42 Y HN 0.791 nan 8.280 nan 0.000 0.522 43 G N 1.644 110.463 108.800 0.032 0.000 2.514 43 G HA2 -0.247 3.738 3.960 0.042 0.000 0.217 43 G HA3 -0.247 3.738 3.960 0.042 0.000 0.217 43 G C -0.632 174.282 174.900 0.025 0.000 1.198 43 G CA 0.943 46.043 45.100 -0.001 0.000 0.780 43 G HN 0.277 nan 8.290 nan 0.000 0.565 44 P HA -0.016 nan 4.420 nan 0.000 0.216 44 P C 2.108 179.476 177.300 0.113 0.000 1.153 44 P CA 0.544 63.705 63.100 0.102 0.000 0.844 44 P CB -0.083 31.698 31.700 0.135 0.000 0.787 45 V N -0.486 119.502 119.914 0.123 0.000 2.594 45 V HA -0.187 3.958 4.120 0.042 0.000 0.253 45 V C 1.990 178.115 176.094 0.051 0.000 1.069 45 V CA 1.570 63.938 62.300 0.113 0.000 1.082 45 V CB -1.010 30.912 31.823 0.165 0.000 0.680 45 V HN 0.020 nan 8.190 nan 0.000 0.469 46 L N -0.287 120.939 121.223 0.004 0.000 2.109 46 L HA -0.070 4.295 4.340 0.042 0.000 0.207 46 L C 2.670 179.589 176.870 0.082 0.000 1.086 46 L CA 1.773 56.606 54.840 -0.012 0.000 0.760 46 L CB -0.682 41.309 42.059 -0.113 0.000 0.910 46 L HN 0.457 nan 8.230 nan 0.000 0.437 47 V N -0.812 119.168 119.914 0.109 0.000 2.548 47 V HA -0.219 3.926 4.120 0.042 0.000 0.249 47 V C 2.565 178.842 176.094 0.304 0.000 1.055 47 V CA 1.553 63.981 62.300 0.215 0.000 1.065 47 V CB -0.522 31.358 31.823 0.096 0.000 0.681 47 V HN 0.437 nan 8.190 nan 0.000 0.462 48 R N -0.577 120.045 120.500 0.205 0.000 2.092 48 R HA -0.091 4.274 4.340 0.042 0.000 0.231 48 R C 2.244 178.583 176.300 0.065 0.000 1.119 48 R CA 1.885 58.105 56.100 0.199 0.000 0.970 48 R CB -0.362 29.992 30.300 0.091 0.000 0.864 48 R HN 0.598 nan 8.270 nan 0.000 0.440 49 L N 0.775 122.009 121.223 0.019 0.000 1.994 49 L HA -0.030 4.335 4.340 0.042 0.000 0.208 49 L C 2.253 179.107 176.870 -0.027 0.000 1.071 49 L CA 2.251 57.025 54.840 -0.111 0.000 0.745 49 L CB -0.902 41.077 42.059 -0.134 0.000 0.892 49 L HN 0.169 nan 8.230 nan 0.000 0.431 50 A N -0.377 122.528 122.820 0.141 0.000 1.978 50 A HA -0.268 4.077 4.320 0.042 0.000 0.220 50 A C 2.243 179.956 177.584 0.214 0.000 1.170 50 A CA 1.889 54.051 52.037 0.208 0.000 0.636 50 A CB -1.346 17.845 19.000 0.317 0.000 0.810 50 A HN 0.859 nan 8.150 nan 0.000 0.448 51 W N -0.695 120.686 121.300 0.134 0.000 2.481 51 W HA -0.096 4.590 4.660 0.042 0.000 0.293 51 W C 1.565 178.215 176.519 0.218 0.000 1.201 51 W CA 1.457 58.897 57.345 0.159 0.000 1.328 51 W CB -0.549 29.064 29.460 0.255 0.000 1.112 51 W HN 0.454 nan 8.180 nan 0.000 0.546 52 H N 1.238 120.006 119.070 -0.504 0.000 2.491 52 H HA -0.078 4.502 4.556 0.039 0.000 0.290 52 H C 2.410 177.522 175.328 -0.361 0.000 1.050 52 H CA 2.295 57.956 56.048 -0.645 0.000 1.309 52 H CB -0.534 28.971 29.762 -0.429 0.000 1.392 52 H HN 0.213 nan 8.280 nan 0.000 0.554 53 T N -4.155 110.333 114.554 -0.109 0.000 3.057 53 T HA 0.082 4.457 4.350 0.042 0.000 0.254 53 T C 1.989 176.714 174.700 0.042 0.000 1.094 53 T CA 0.712 62.798 62.100 -0.024 0.000 1.088 53 T CB 0.088 68.957 68.868 0.001 0.000 0.934 53 T HN 0.069 nan 8.240 nan 0.000 0.497 54 S N 0.919 116.630 115.700 0.019 0.000 2.483 54 S HA 0.282 4.777 4.470 0.042 0.000 0.221 54 S C 2.193 176.833 174.600 0.066 0.000 1.030 54 S CA 0.287 58.518 58.200 0.051 0.000 0.925 54 S CB -0.282 62.946 63.200 0.047 0.000 0.795 54 S HN 0.672 nan 8.310 nan 0.000 0.511 55 G N 1.996 110.746 108.800 -0.082 0.000 2.625 55 G HA2 -0.111 3.874 3.960 0.042 0.000 0.214 55 G HA3 -0.111 3.874 3.960 0.042 0.000 0.214 55 G C 1.283 176.155 174.900 -0.046 0.000 1.132 55 G CA 1.335 46.324 45.100 -0.184 0.000 0.782 55 G HN 0.598 nan 8.290 nan 0.000 0.538 56 T N -3.735 110.825 114.554 0.011 0.000 3.129 56 T HA 0.048 4.423 4.350 0.042 0.000 0.251 56 T C 0.742 175.538 174.700 0.160 0.000 1.117 56 T CA -0.768 61.370 62.100 0.064 0.000 1.034 56 T CB -0.083 68.822 68.868 0.060 0.000 0.968 56 T HN 0.199 nan 8.240 nan 0.000 0.526 57 W N 2.603 123.896 121.300 -0.011 0.000 2.137 57 W HA 0.440 5.115 4.660 0.025 0.000 0.344 57 W C -0.498 175.996 176.519 -0.041 0.000 1.286 57 W CA -0.423 56.919 57.345 -0.005 0.000 1.240 57 W CB 0.435 29.896 29.460 0.002 0.000 1.141 57 W HN 0.064 nan 8.180 nan 0.000 0.579 58 D N 4.514 124.602 120.400 -0.520 0.000 2.575 58 D HA 0.050 4.715 4.640 0.042 0.000 0.250 58 D C 0.778 176.359 176.300 -1.198 0.000 1.279 58 D CA -0.338 53.296 54.000 -0.611 0.000 0.925 58 D CB 1.378 42.034 40.800 -0.240 0.000 1.261 58 D HN 0.608 nan 8.370 nan 0.000 0.567 59 K N 2.404 121.885 120.400 -1.531 0.000 2.280 59 K HA -0.168 4.177 4.320 0.042 0.000 0.202 59 K C 0.763 176.873 176.600 -0.817 0.000 1.047 59 K CA 1.240 56.595 56.287 -1.553 0.000 0.942 59 K CB -0.158 31.586 32.500 -1.260 0.000 0.739 59 K HN 0.386 nan 8.250 nan 0.000 0.457 60 H N 1.554 120.363 119.070 -0.435 0.000 2.357 60 H HA -0.060 4.524 4.556 0.048 0.000 0.301 60 H C 0.811 176.020 175.328 -0.199 0.000 1.082 60 H CA 1.620 57.516 56.048 -0.253 0.000 1.342 60 H CB 0.014 29.657 29.762 -0.199 0.000 1.389 60 H HN 0.631 nan 8.280 nan 0.000 0.511 61 D N -1.761 118.576 120.400 -0.104 0.000 2.563 61 D HA 0.033 4.698 4.640 0.042 0.000 0.237 61 D C 0.062 176.303 176.300 -0.098 0.000 1.282 61 D CA -0.365 53.585 54.000 -0.083 0.000 0.816 61 D CB -0.547 40.224 40.800 -0.048 0.000 1.066 61 D HN 0.079 nan 8.370 nan 0.000 0.501 62 N N 0.723 119.333 118.700 -0.150 0.000 2.693 62 N HA -0.188 4.577 4.740 0.042 0.000 0.249 62 N C -0.756 174.808 175.510 0.089 0.000 1.119 62 N CA 1.381 54.427 53.050 -0.006 0.000 0.717 62 N CB -1.623 36.866 38.487 0.003 0.000 1.071 62 N HN 0.626 nan 8.380 nan 0.000 0.555 63 T N -2.618 111.956 114.554 0.033 0.000 2.909 63 T HA 0.666 5.041 4.350 0.042 0.000 0.289 63 T C 1.074 175.897 174.700 0.204 0.000 1.005 63 T CA 0.298 62.471 62.100 0.122 0.000 1.084 63 T CB 1.815 70.721 68.868 0.063 0.000 0.975 63 T HN 1.026 nan 8.240 nan 0.000 0.509 64 G N 0.629 109.584 108.800 0.258 0.000 2.660 64 G HA2 0.413 4.398 3.960 0.042 0.000 0.215 64 G HA3 0.413 4.398 3.960 0.042 0.000 0.215 64 G C 0.196 175.307 174.900 0.352 0.000 1.345 64 G CA -0.062 45.199 45.100 0.268 0.000 0.877 64 G HN 2.745 nan 8.290 nan 0.000 0.549 65 G N -2.656 106.317 108.800 0.288 0.000 2.661 65 G HA2 0.367 4.352 3.960 0.042 0.000 0.685 65 G HA3 0.367 4.352 3.960 0.042 0.000 0.685 65 G C 1.205 176.198 174.900 0.155 0.000 1.298 65 G CA 1.066 46.282 45.100 0.192 0.000 0.855 65 G HN 2.465 nan 8.290 nan 0.000 0.560 66 S N -1.123 114.635 115.700 0.096 0.000 2.406 66 S HA -0.112 4.383 4.470 0.042 0.000 0.228 66 S C 1.939 176.618 174.600 0.131 0.000 1.020 66 S CA 1.948 60.222 58.200 0.124 0.000 0.965 66 S CB -0.432 62.817 63.200 0.083 0.000 0.798 66 S HN 1.350 nan 8.310 nan 0.000 0.488 67 Y N 3.020 123.294 120.300 -0.042 0.000 2.030 67 Y HA -0.211 4.363 4.550 0.040 0.000 0.272 67 Y C 2.594 178.435 175.900 -0.099 0.000 1.185 67 Y CA 1.794 59.818 58.100 -0.126 0.000 1.120 67 Y CB -1.114 37.174 38.460 -0.287 0.000 0.955 67 Y HN 0.336 nan 8.280 nan 0.000 0.495 68 G N -1.576 107.287 108.800 0.106 0.000 2.448 68 G HA2 -0.027 3.958 3.960 0.042 0.000 0.219 68 G HA3 -0.027 3.958 3.960 0.042 0.000 0.219 68 G C 1.434 176.382 174.900 0.080 0.000 1.127 68 G CA 0.799 45.954 45.100 0.090 0.000 0.766 68 G HN 1.139 nan 8.290 nan 0.000 0.552 69 G N -0.528 108.348 108.800 0.127 0.000 2.160 69 G HA2 -0.296 3.689 3.960 0.042 0.000 0.251 69 G HA3 -0.296 3.689 3.960 0.042 0.000 0.251 69 G C 1.144 176.180 174.900 0.226 0.000 1.008 69 G CA 1.440 46.651 45.100 0.185 0.000 0.724 69 G HN 1.305 nan 8.290 nan 0.000 0.514 70 T N -2.992 111.713 114.554 0.253 0.000 3.155 70 T HA -0.055 4.320 4.350 0.042 0.000 0.264 70 T C 1.681 176.533 174.700 0.254 0.000 1.160 70 T CA 1.410 63.682 62.100 0.288 0.000 1.075 70 T CB -0.142 68.959 68.868 0.389 0.000 0.921 70 T HN 0.712 nan 8.240 nan 0.000 0.533 71 Y N 2.942 123.336 120.300 0.156 0.000 2.516 71 Y HA 0.077 4.653 4.550 0.044 0.000 0.291 71 Y C 2.349 178.248 175.900 -0.001 0.000 1.131 71 Y CA 0.252 58.393 58.100 0.069 0.000 1.281 71 Y CB -0.190 38.209 38.460 -0.103 0.000 1.013 71 Y HN 0.295 nan 8.280 nan 0.000 0.554 72 R N -1.065 119.321 120.500 -0.189 0.000 2.280 72 R HA -0.029 4.336 4.340 0.042 0.000 0.207 72 R C -0.567 175.401 176.300 -0.553 0.000 1.043 72 R CA 0.257 56.090 56.100 -0.446 0.000 1.006 72 R CB -0.711 29.470 30.300 -0.199 0.000 0.885 72 R HN 0.145 nan 8.270 nan 0.000 0.467 73 F N 3.012 122.868 119.950 -0.158 0.000 2.394 73 F HA 0.241 4.793 4.527 0.041 0.000 0.340 73 F C 1.483 177.207 175.800 -0.127 0.000 1.105 73 F CA -1.796 56.129 58.000 -0.125 0.000 1.124 73 F CB 1.618 40.602 39.000 -0.026 0.000 1.145 73 F HN -0.095 nan 8.300 nan 0.000 0.505 74 K N 0.916 121.372 120.400 0.094 0.000 2.228 74 K HA -0.262 4.083 4.320 0.042 0.000 0.205 74 K C 1.493 178.151 176.600 0.097 0.000 1.045 74 K CA 1.897 58.223 56.287 0.064 0.000 0.931 74 K CB -0.076 32.442 32.500 0.029 0.000 0.727 74 K HN 0.552 nan 8.250 nan 0.000 0.458 75 K N 1.057 121.515 120.400 0.097 0.000 2.076 75 K HA -0.091 4.254 4.320 0.042 0.000 0.204 75 K C 2.101 178.754 176.600 0.089 0.000 1.051 75 K CA 1.243 57.576 56.287 0.077 0.000 0.949 75 K CB 0.174 32.709 32.500 0.059 0.000 0.726 75 K HN 0.318 nan 8.250 nan 0.000 0.443 76 E N -0.804 119.469 120.200 0.121 0.000 2.170 76 E HA -0.097 4.278 4.350 0.042 0.000 0.191 76 E C 1.600 178.267 176.600 0.111 0.000 0.981 76 E CA 0.311 56.792 56.400 0.135 0.000 0.830 76 E CB 0.006 29.824 29.700 0.197 0.000 0.775 76 E HN 0.283 nan 8.360 nan 0.000 0.470 77 F N 1.466 121.295 119.950 -0.201 0.000 2.234 77 F HA -0.074 4.478 4.527 0.041 0.000 0.299 77 F C 1.315 177.024 175.800 -0.152 0.000 1.087 77 F CA 1.032 58.778 58.000 -0.424 0.000 1.340 77 F CB 0.311 38.967 39.000 -0.573 0.000 1.031 77 F HN -0.002 nan 8.300 nan 0.000 0.500 78 N N 0.515 119.233 118.700 0.030 0.000 2.251 78 N HA -0.019 4.746 4.740 0.042 0.000 0.217 78 N C -0.649 174.858 175.510 -0.004 0.000 1.124 78 N CA 0.099 53.145 53.050 -0.006 0.000 0.843 78 N CB -0.485 38.036 38.487 0.057 0.000 1.024 78 N HN 0.228 nan 8.380 nan 0.000 0.501 79 D N 1.415 121.817 120.400 0.004 0.000 2.417 79 D HA 0.070 4.735 4.640 0.042 0.000 0.250 79 D C -1.434 174.866 176.300 0.000 0.000 1.166 79 D CA -1.717 52.290 54.000 0.010 0.000 0.881 79 D CB 1.607 42.417 40.800 0.016 0.000 1.164 79 D HN -0.006 nan 8.370 nan 0.000 0.467 80 P HA -0.160 nan 4.420 nan 0.000 0.217 80 P C 1.033 178.352 177.300 0.031 0.000 1.148 80 P CA 1.412 64.521 63.100 0.016 0.000 0.834 80 P CB 0.129 31.841 31.700 0.020 0.000 0.783 81 S N -2.369 113.341 115.700 0.017 0.000 2.561 81 S HA 0.012 4.507 4.470 0.042 0.000 0.225 81 S C 1.362 176.011 174.600 0.081 0.000 0.977 81 S CA 0.511 58.731 58.200 0.033 0.000 0.926 81 S CB -1.054 62.118 63.200 -0.047 0.000 0.769 81 S HN 0.280 nan 8.310 nan 0.000 0.533 82 N N 1.447 120.179 118.700 0.054 0.000 2.270 82 N HA 0.321 5.086 4.740 0.042 0.000 0.198 82 N C 0.079 175.624 175.510 0.058 0.000 1.117 82 N CA -0.079 53.038 53.050 0.112 0.000 0.845 82 N CB 0.182 38.729 38.487 0.100 0.000 0.980 82 N HN 0.428 nan 8.380 nan 0.000 0.486 83 A N 0.603 123.450 122.820 0.045 0.000 2.537 83 A HA 0.399 4.744 4.320 0.042 0.000 0.260 83 A C 1.388 178.991 177.584 0.031 0.000 1.082 83 A CA 0.899 52.945 52.037 0.014 0.000 0.765 83 A CB -0.467 18.551 19.000 0.030 0.000 1.019 83 A HN 0.428 nan 8.150 nan 0.000 0.507 84 G N 1.372 110.170 108.800 -0.002 0.000 2.316 84 G HA2 -0.221 3.764 3.960 0.042 0.000 0.203 84 G HA3 -0.221 3.764 3.960 0.042 0.000 0.203 84 G C 0.740 175.665 174.900 0.041 0.000 0.999 84 G CA 0.142 45.249 45.100 0.012 0.000 0.649 84 G HN 0.751 nan 8.290 nan 0.000 0.489 85 L N 0.919 122.156 121.223 0.024 0.000 2.622 85 L HA 0.096 4.461 4.340 0.042 0.000 0.233 85 L C 2.699 179.638 176.870 0.115 0.000 1.156 85 L CA 1.013 55.873 54.840 0.034 0.000 0.866 85 L CB -0.183 41.840 42.059 -0.059 0.000 0.980 85 L HN 0.248 nan 8.230 nan 0.000 0.448 86 Q N -0.008 119.811 119.800 0.031 0.000 2.084 86 Q HA -0.145 4.220 4.340 0.042 0.000 0.202 86 Q C 2.020 178.189 176.000 0.282 0.000 0.978 86 Q CA 1.300 57.159 55.803 0.094 0.000 0.844 86 Q CB -0.160 28.576 28.738 -0.003 0.000 0.898 86 Q HN 0.399 nan 8.270 nan 0.000 0.426 87 N N -0.294 118.528 118.700 0.204 0.000 2.223 87 N HA -0.107 4.658 4.740 0.042 0.000 0.185 87 N C 1.674 177.315 175.510 0.218 0.000 1.016 87 N CA 1.440 54.619 53.050 0.215 0.000 0.863 87 N CB -0.437 38.162 38.487 0.186 0.000 0.983 87 N HN 0.403 nan 8.380 nan 0.000 0.429 88 G N -0.268 108.647 108.800 0.192 0.000 2.403 88 G HA2 -0.187 3.798 3.960 0.042 0.000 0.216 88 G HA3 -0.187 3.798 3.960 0.042 0.000 0.216 88 G C 1.397 176.446 174.900 0.249 0.000 1.154 88 G CA -0.013 45.170 45.100 0.139 0.000 0.784 88 G HN 0.299 nan 8.290 nan 0.000 0.538 89 F N 1.224 121.304 119.950 0.218 0.000 2.146 89 F HA 0.123 4.674 4.527 0.040 0.000 0.298 89 F C 2.613 178.571 175.800 0.264 0.000 1.096 89 F CA 1.511 59.707 58.000 0.327 0.000 1.275 89 F CB 0.092 39.406 39.000 0.523 0.000 1.008 89 F HN -0.001 nan 8.300 nan 0.000 0.480 90 K N -0.637 119.971 120.400 0.345 0.000 2.211 90 K HA -0.185 4.160 4.320 0.042 0.000 0.203 90 K C 2.000 178.608 176.600 0.013 0.000 1.050 90 K CA 1.530 57.918 56.287 0.169 0.000 0.945 90 K CB -0.414 32.221 32.500 0.226 0.000 0.732 90 K HN 0.393 nan 8.250 nan 0.000 0.451 91 F N 1.067 120.899 119.950 -0.196 0.000 2.163 91 F HA -0.087 4.466 4.527 0.043 0.000 0.297 91 F C 1.562 177.195 175.800 -0.278 0.000 1.094 91 F CA 1.083 58.842 58.000 -0.400 0.000 1.290 91 F CB 0.085 38.671 39.000 -0.690 0.000 1.017 91 F HN -0.122 nan 8.300 nan 0.000 0.483 92 L N 0.612 121.872 121.223 0.061 0.000 2.217 92 L HA -0.124 4.241 4.340 0.042 0.000 0.211 92 L C 2.395 179.154 176.870 -0.185 0.000 1.107 92 L CA 1.359 56.179 54.840 -0.034 0.000 0.783 92 L CB -0.902 41.222 42.059 0.108 0.000 0.919 92 L HN 0.329 nan 8.230 nan 0.000 0.442 93 E N 0.491 120.525 120.200 -0.275 0.000 2.153 93 E HA -0.187 4.188 4.350 0.042 0.000 0.194 93 E C -0.811 175.684 176.600 -0.174 0.000 0.988 93 E CA 0.633 56.877 56.400 -0.261 0.000 0.811 93 E CB -1.234 28.244 29.700 -0.370 0.000 0.746 93 E HN 0.355 nan 8.360 nan 0.000 0.466 94 P HA -0.093 nan 4.420 nan 0.000 0.219 94 P C 1.654 178.841 177.300 -0.189 0.000 1.150 94 P CA 1.197 64.182 63.100 -0.192 0.000 0.814 94 P CB -0.140 31.422 31.700 -0.229 0.000 0.787 95 I N -4.451 116.005 120.570 -0.190 0.000 3.251 95 I HA -0.022 4.173 4.170 0.042 0.000 0.277 95 I C 2.026 178.122 176.117 -0.036 0.000 1.268 95 I CA 1.215 62.441 61.300 -0.124 0.000 1.449 95 I CB -1.004 36.936 38.000 -0.099 0.000 1.083 95 I HN -0.048 nan 8.210 nan 0.000 0.464 96 H N 0.943 119.901 119.070 -0.186 0.000 2.470 96 H HA 0.073 4.654 4.556 0.043 0.000 0.289 96 H C 1.815 177.027 175.328 -0.194 0.000 1.033 96 H CA 0.698 56.626 56.048 -0.200 0.000 1.331 96 H CB 0.379 30.004 29.762 -0.227 0.000 1.414 96 H HN 0.268 nan 8.280 nan 0.000 0.545 97 K N 0.121 120.473 120.400 -0.080 0.000 2.228 97 K HA -0.110 4.235 4.320 0.042 0.000 0.202 97 K C 1.968 178.459 176.600 -0.181 0.000 1.051 97 K CA 1.131 57.335 56.287 -0.138 0.000 0.960 97 K CB 0.300 32.715 32.500 -0.141 0.000 0.743 97 K HN 0.225 nan 8.250 nan 0.000 0.458 98 E N -0.223 119.812 120.200 -0.274 0.000 2.216 98 E HA -0.061 4.314 4.350 0.042 0.000 0.192 98 E C -0.469 175.704 176.600 -0.712 0.000 0.988 98 E CA 0.831 56.918 56.400 -0.520 0.000 0.834 98 E CB 0.275 29.586 29.700 -0.649 0.000 0.772 98 E HN 0.108 nan 8.360 nan 0.000 0.479 99 F N 0.618 120.441 119.950 -0.213 0.000 2.622 99 F HA 0.333 4.886 4.527 0.044 0.000 0.338 99 F C -1.924 173.555 175.800 -0.536 0.000 1.334 99 F CA -2.217 55.494 58.000 -0.482 0.000 1.179 99 F CB 1.794 40.331 39.000 -0.772 0.000 1.471 99 F HN -0.036 nan 8.300 nan 0.000 0.576 100 P HA -0.153 nan 4.420 nan 0.000 0.225 100 P C 1.494 178.818 177.300 0.041 0.000 1.148 100 P CA 1.308 64.398 63.100 -0.017 0.000 0.779 100 P CB -0.034 31.668 31.700 0.004 0.000 0.780 101 W N -0.112 121.248 121.300 0.100 0.000 2.519 101 W HA 0.131 4.815 4.660 0.040 0.000 0.266 101 W C 0.849 177.417 176.519 0.081 0.000 1.253 101 W CA -0.389 56.997 57.345 0.069 0.000 1.274 101 W CB -1.387 28.093 29.460 0.034 0.000 1.114 101 W HN -0.145 nan 8.180 nan 0.000 0.596 102 I N 4.032 124.417 120.570 -0.308 0.000 2.441 102 I HA 0.025 4.220 4.170 0.042 0.000 0.287 102 I C 1.089 177.149 176.117 -0.095 0.000 1.049 102 I CA -0.147 61.011 61.300 -0.238 0.000 1.381 102 I CB 0.985 38.573 38.000 -0.688 0.000 1.409 102 I HN -0.126 nan 8.210 nan 0.000 0.523 103 S N 4.411 120.110 115.700 -0.002 0.000 2.584 103 S HA 0.083 4.578 4.470 0.042 0.000 0.270 103 S C 1.078 175.540 174.600 -0.230 0.000 1.346 103 S CA -0.399 57.768 58.200 -0.054 0.000 1.018 103 S CB 1.517 64.684 63.200 -0.056 0.000 0.899 103 S HN 0.734 nan 8.310 nan 0.000 0.542 104 S N 2.318 117.870 115.700 -0.247 0.000 2.368 104 S HA -0.026 4.469 4.470 0.042 0.000 0.225 104 S C 2.144 176.293 174.600 -0.752 0.000 1.030 104 S CA 1.326 59.176 58.200 -0.582 0.000 0.999 104 S CB -1.172 61.851 63.200 -0.294 0.000 0.844 104 S HN 0.958 nan 8.310 nan 0.000 0.459 105 G N 1.516 110.151 108.800 -0.276 0.000 2.418 105 G HA2 -0.227 3.758 3.960 0.042 0.000 0.217 105 G HA3 -0.227 3.758 3.960 0.042 0.000 0.217 105 G C 1.034 175.930 174.900 -0.006 0.000 1.158 105 G CA 1.072 46.133 45.100 -0.066 0.000 0.771 105 G HN 0.382 nan 8.290 nan 0.000 0.545 106 D N -0.093 120.309 120.400 0.004 0.000 2.144 106 D HA -0.042 4.623 4.640 0.042 0.000 0.199 106 D C 2.379 178.748 176.300 0.115 0.000 0.984 106 D CA 0.195 54.355 54.000 0.267 0.000 0.834 106 D CB -0.141 40.858 40.800 0.331 0.000 0.955 106 D HN 0.221 nan 8.370 nan 0.000 0.465 107 L N -0.415 120.676 121.223 -0.219 0.000 2.072 107 L HA -0.126 4.239 4.340 0.042 0.000 0.205 107 L C 1.897 178.679 176.870 -0.146 0.000 1.079 107 L CA 0.926 55.562 54.840 -0.340 0.000 0.752 107 L CB -0.147 41.525 42.059 -0.644 0.000 0.906 107 L HN -0.016 nan 8.230 nan 0.000 0.436 108 F N 0.162 120.118 119.950 0.010 0.000 2.146 108 F HA -0.164 4.387 4.527 0.039 0.000 0.298 108 F C 3.019 178.854 175.800 0.058 0.000 1.096 108 F CA 1.215 59.242 58.000 0.045 0.000 1.275 108 F CB -1.423 37.627 39.000 0.083 0.000 1.008 108 F HN 0.193 nan 8.300 nan 0.000 0.480 109 S N -0.033 115.832 115.700 0.275 0.000 2.406 109 S HA -0.110 4.385 4.470 0.042 0.000 0.228 109 S C 2.096 176.790 174.600 0.157 0.000 1.020 109 S CA 0.671 59.032 58.200 0.269 0.000 0.965 109 S CB -0.990 62.436 63.200 0.377 0.000 0.798 109 S HN 0.414 nan 8.310 nan 0.000 0.488 110 L N 1.492 122.671 121.223 -0.073 0.000 2.056 110 L HA 0.058 4.423 4.340 0.042 0.000 0.207 110 L C 2.769 179.503 176.870 -0.228 0.000 1.078 110 L CA 1.263 55.803 54.840 -0.500 0.000 0.749 110 L CB -1.035 40.609 42.059 -0.691 0.000 0.901 110 L HN 0.530 nan 8.230 nan 0.000 0.433 111 G N -0.952 107.793 108.800 -0.091 0.000 2.442 111 G HA2 -0.244 3.741 3.960 0.042 0.000 0.219 111 G HA3 -0.244 3.741 3.960 0.042 0.000 0.219 111 G C 1.442 176.344 174.900 0.004 0.000 1.141 111 G CA 0.725 45.803 45.100 -0.038 0.000 0.763 111 G HN 0.541 nan 8.290 nan 0.000 0.554 112 G N 0.213 109.080 108.800 0.111 0.000 2.394 112 G HA2 -0.080 3.905 3.960 0.042 0.000 0.214 112 G HA3 -0.080 3.905 3.960 0.042 0.000 0.214 112 G C 1.757 176.781 174.900 0.206 0.000 1.176 112 G CA 1.021 46.257 45.100 0.227 0.000 0.786 112 G HN 0.294 nan 8.290 nan 0.000 0.533 113 V N 1.261 121.311 119.914 0.227 0.000 2.343 113 V HA -0.192 3.953 4.120 0.042 0.000 0.247 113 V C 3.195 179.358 176.094 0.114 0.000 1.051 113 V CA 2.409 64.834 62.300 0.210 0.000 1.036 113 V CB -0.831 31.113 31.823 0.201 0.000 0.654 113 V HN 0.404 nan 8.190 nan 0.000 0.451 114 T N 0.319 114.869 114.554 -0.007 0.000 2.777 114 T HA -0.132 4.243 4.350 0.042 0.000 0.266 114 T C 2.060 176.652 174.700 -0.179 0.000 1.040 114 T CA 1.504 63.474 62.100 -0.216 0.000 1.141 114 T CB -0.443 68.121 68.868 -0.507 0.000 0.868 114 T HN 0.564 nan 8.240 nan 0.000 0.444 115 A N 0.909 123.657 122.820 -0.119 0.000 1.933 115 A HA -0.033 4.312 4.320 0.042 0.000 0.218 115 A C 2.568 180.087 177.584 -0.108 0.000 1.175 115 A CA 1.269 53.246 52.037 -0.100 0.000 0.628 115 A CB -0.924 18.034 19.000 -0.071 0.000 0.814 115 A HN 0.363 nan 8.150 nan 0.000 0.444 116 V N -0.305 119.512 119.914 -0.162 0.000 2.488 116 V HA -0.238 3.907 4.120 0.042 0.000 0.246 116 V C 2.590 178.500 176.094 -0.306 0.000 1.046 116 V CA 1.986 64.080 62.300 -0.344 0.000 1.053 116 V CB -0.726 30.759 31.823 -0.563 0.000 0.679 116 V HN 0.615 nan 8.190 nan 0.000 0.458 117 Q N -0.581 119.134 119.800 -0.142 0.000 2.079 117 Q HA -0.173 4.192 4.340 0.042 0.000 0.200 117 Q C 2.256 178.258 176.000 0.003 0.000 0.974 117 Q CA 1.174 56.953 55.803 -0.039 0.000 0.840 117 Q CB -0.105 28.726 28.738 0.155 0.000 0.898 117 Q HN 0.561 nan 8.270 nan 0.000 0.430 118 E N 0.203 120.399 120.200 -0.007 0.000 2.274 118 E HA -0.058 4.317 4.350 0.042 0.000 0.194 118 E C 1.131 177.739 176.600 0.013 0.000 0.996 118 E CA 0.762 57.163 56.400 0.002 0.000 0.840 118 E CB 0.080 29.749 29.700 -0.052 0.000 0.772 118 E HN 0.422 nan 8.360 nan 0.000 0.491 119 M N 0.221 119.818 119.600 -0.005 0.000 2.719 119 M HA 0.070 4.575 4.480 0.042 0.000 0.247 119 M C 0.180 176.522 176.300 0.070 0.000 1.287 119 M CA 0.146 55.470 55.300 0.039 0.000 1.004 119 M CB 0.159 32.789 32.600 0.051 0.000 1.514 119 M HN -0.014 nan 8.290 nan 0.000 0.462 120 Q N -0.419 119.412 119.800 0.052 0.000 2.452 120 Q HA -0.150 4.215 4.340 0.042 0.000 0.248 120 Q C 0.348 176.395 176.000 0.078 0.000 0.874 120 Q CA 0.420 56.279 55.803 0.093 0.000 1.208 120 Q CB -1.093 27.733 28.738 0.146 0.000 1.569 120 Q HN 0.782 nan 8.270 nan 0.000 0.579 121 G N 0.884 109.592 108.800 -0.153 0.000 2.553 121 G HA2 0.458 4.443 3.960 0.042 0.000 0.278 121 G HA3 0.458 4.443 3.960 0.042 0.000 0.278 121 G C -2.297 172.234 174.900 -0.615 0.000 1.349 121 G CA -0.465 44.261 45.100 -0.623 0.000 1.037 121 G HN 0.196 nan 8.290 nan 0.000 0.508 122 P HA 0.237 nan 4.420 nan 0.000 0.274 122 P C -0.817 176.333 177.300 -0.251 0.000 1.237 122 P CA -0.435 62.392 63.100 -0.455 0.000 0.793 122 P CB 0.983 32.387 31.700 -0.493 0.000 0.977 123 K N 1.561 121.905 120.400 -0.094 0.000 2.312 123 K HA 0.291 4.636 4.320 0.042 0.000 0.287 123 K C -0.061 176.524 176.600 -0.024 0.000 1.062 123 K CA -0.206 56.062 56.287 -0.032 0.000 0.934 123 K CB -0.214 32.286 32.500 0.001 0.000 1.027 123 K HN 0.399 nan 8.250 nan 0.000 0.478 124 I N 7.171 127.751 120.570 0.017 0.000 2.355 124 I HA 0.366 4.561 4.170 0.042 0.000 0.288 124 I C -2.477 173.701 176.117 0.103 0.000 0.999 124 I CA -2.784 58.551 61.300 0.059 0.000 1.163 124 I CB 1.444 39.506 38.000 0.104 0.000 1.316 124 I HN 0.499 nan 8.210 nan 0.000 0.454 125 P HA 0.027 nan 4.420 nan 0.000 0.267 125 P C -1.531 175.811 177.300 0.070 0.000 1.205 125 P CA 0.366 63.469 63.100 0.005 0.000 0.765 125 P CB 0.218 31.873 31.700 -0.075 0.000 0.828 126 W N 5.099 126.318 121.300 -0.135 0.000 2.785 126 W HA 0.478 5.162 4.660 0.039 0.000 0.333 126 W C -0.819 175.540 176.519 -0.268 0.000 1.062 126 W CA -0.634 56.652 57.345 -0.098 0.000 1.233 126 W CB 1.595 31.131 29.460 0.126 0.000 1.413 126 W HN 0.226 nan 8.180 nan 0.000 0.489 127 R N 4.525 124.311 120.500 -1.191 0.000 2.637 127 R HA 0.596 4.961 4.340 0.042 0.000 0.291 127 R C -0.172 175.188 176.300 -1.568 0.000 0.963 127 R CA -0.747 54.596 56.100 -1.261 0.000 0.901 127 R CB 1.213 30.863 30.300 -1.083 0.000 1.160 127 R HN 0.667 nan 8.270 nan 0.000 0.457 128 C N -0.828 117.747 119.300 -1.209 0.000 2.365 128 C HA 0.918 5.403 4.460 0.042 0.000 0.374 128 C C 1.359 176.194 174.990 -0.259 0.000 1.318 128 C CA 0.447 58.964 59.018 -0.835 0.000 2.239 128 C CB 0.560 27.892 27.740 -0.681 0.000 2.144 128 C HN 1.040 nan 8.230 nan 0.000 0.581 129 G N 0.104 108.851 108.800 -0.089 0.000 2.205 129 G HA2 -0.110 3.875 3.960 0.042 0.000 0.180 129 G HA3 -0.110 3.875 3.960 0.042 0.000 0.180 129 G C -0.019 174.824 174.900 -0.095 0.000 1.004 129 G CA -0.285 44.807 45.100 -0.013 0.000 0.670 129 G HN 0.944 nan 8.290 nan 0.000 0.496 130 R N 0.126 120.524 120.500 -0.171 0.000 2.491 130 R HA 0.511 4.876 4.340 0.042 0.000 0.283 130 R C -0.152 175.828 176.300 -0.533 0.000 1.072 130 R CA -0.010 55.814 56.100 -0.460 0.000 1.048 130 R CB 1.414 31.545 30.300 -0.282 0.000 0.983 130 R HN 0.101 nan 8.270 nan 0.000 0.450 131 V N 2.546 121.843 119.914 -1.029 0.000 2.604 131 V HA 0.115 4.260 4.120 0.042 0.000 0.305 131 V C -0.129 175.710 176.094 -0.424 0.000 1.043 131 V CA -1.036 60.942 62.300 -0.536 0.000 0.888 131 V CB 1.995 33.632 31.823 -0.311 0.000 0.995 131 V HN 0.693 nan 8.190 nan 0.000 0.429 132 D N 3.143 123.445 120.400 -0.163 0.000 2.455 132 D HA 0.268 4.933 4.640 0.042 0.000 0.241 132 D C 0.390 176.713 176.300 0.038 0.000 1.138 132 D CA 0.552 54.527 54.000 -0.042 0.000 0.877 132 D CB 1.381 42.187 40.800 0.010 0.000 1.187 132 D HN 0.801 nan 8.370 nan 0.000 0.451 133 T N -0.680 113.951 114.554 0.128 0.000 2.924 133 T HA 0.599 4.974 4.350 0.042 0.000 0.291 133 T C -2.618 172.240 174.700 0.262 0.000 1.045 133 T CA -2.041 60.167 62.100 0.180 0.000 1.015 133 T CB 1.899 70.881 68.868 0.191 0.000 1.103 133 T HN -0.050 nan 8.240 nan 0.000 0.496 134 P HA 0.204 nan 4.420 nan 0.000 0.272 134 P C 0.826 178.073 177.300 -0.088 0.000 1.248 134 P CA -0.371 62.785 63.100 0.093 0.000 0.799 134 P CB 0.430 32.147 31.700 0.027 0.000 0.997 135 E N -0.015 119.894 120.200 -0.484 0.000 2.204 135 E HA -0.225 4.150 4.350 0.042 0.000 0.195 135 E C 0.923 177.303 176.600 -0.368 0.000 0.990 135 E CA 1.353 57.218 56.400 -0.892 0.000 0.821 135 E CB -0.200 29.006 29.700 -0.824 0.000 0.750 135 E HN 0.517 nan 8.360 nan 0.000 0.477 136 D N -1.234 119.060 120.400 -0.177 0.000 2.317 136 D HA -0.127 4.538 4.640 0.042 0.000 0.211 136 D C 1.652 177.946 176.300 -0.009 0.000 0.966 136 D CA 1.252 55.206 54.000 -0.076 0.000 0.876 136 D CB -0.363 40.410 40.800 -0.045 0.000 0.927 136 D HN 0.115 nan 8.370 nan 0.000 0.519 137 T N -3.589 110.983 114.554 0.030 0.000 3.129 137 T HA 0.035 4.410 4.350 0.042 0.000 0.251 137 T C 0.781 175.559 174.700 0.130 0.000 1.117 137 T CA -0.300 61.861 62.100 0.102 0.000 1.034 137 T CB -0.749 68.214 68.868 0.159 0.000 0.968 137 T HN -0.075 nan 8.240 nan 0.000 0.526 138 T N 5.036 119.654 114.554 0.106 0.000 2.829 138 T HA 0.271 4.646 4.350 0.042 0.000 0.293 138 T C -2.388 172.380 174.700 0.113 0.000 0.970 138 T CA -0.748 61.443 62.100 0.152 0.000 1.168 138 T CB 0.499 69.452 68.868 0.142 0.000 0.911 138 T HN 0.267 nan 8.240 nan 0.000 0.535 139 P HA 0.107 nan 4.420 nan 0.000 0.268 139 P C 0.047 177.393 177.300 0.076 0.000 1.204 139 P CA -0.234 62.925 63.100 0.099 0.000 0.768 139 P CB 0.480 32.246 31.700 0.110 0.000 0.842 140 D N 1.996 122.429 120.400 0.055 0.000 2.341 140 D HA 0.045 4.710 4.640 0.042 0.000 0.245 140 D C 0.295 176.620 176.300 0.041 0.000 1.106 140 D CA 0.094 54.120 54.000 0.043 0.000 0.905 140 D CB 0.651 41.469 40.800 0.032 0.000 1.202 140 D HN 0.398 nan 8.370 nan 0.000 0.426 141 N N -0.245 118.476 118.700 0.036 0.000 2.329 141 N HA 0.133 4.898 4.740 0.042 0.000 0.237 141 N C 1.065 176.592 175.510 0.028 0.000 1.258 141 N CA 0.467 53.533 53.050 0.027 0.000 0.866 141 N CB 0.494 38.995 38.487 0.024 0.000 1.102 141 N HN 0.636 nan 8.380 nan 0.000 0.440 142 G N 0.318 109.131 108.800 0.022 0.000 2.163 142 G HA2 -0.252 3.733 3.960 0.042 0.000 0.213 142 G HA3 -0.252 3.733 3.960 0.042 0.000 0.213 142 G C 0.672 175.613 174.900 0.068 0.000 0.991 142 G CA -0.279 44.845 45.100 0.040 0.000 0.653 142 G HN 0.602 nan 8.290 nan 0.000 0.518 143 R N -0.679 119.856 120.500 0.057 0.000 2.317 143 R HA 0.386 4.751 4.340 0.042 0.000 0.208 143 R C 0.961 177.370 176.300 0.181 0.000 0.914 143 R CA -0.010 56.159 56.100 0.116 0.000 1.060 143 R CB 0.224 30.567 30.300 0.072 0.000 1.015 143 R HN 0.397 nan 8.270 nan 0.000 0.498 144 L N 2.312 123.541 121.223 0.010 0.000 2.379 144 L HA 0.344 4.709 4.340 0.042 0.000 0.269 144 L C -1.890 174.858 176.870 -0.203 0.000 1.084 144 L CA -2.204 52.552 54.840 -0.140 0.000 0.802 144 L CB 0.692 42.514 42.059 -0.395 0.000 1.175 144 L HN -0.121 nan 8.230 nan 0.000 0.448 145 P HA 0.114 nan 4.420 nan 0.000 0.275 145 P C -1.354 175.910 177.300 -0.060 0.000 1.228 145 P CA -0.421 62.404 63.100 -0.457 0.000 0.786 145 P CB 0.978 32.244 31.700 -0.723 0.000 0.927 146 D N 0.763 121.146 120.400 -0.028 0.000 2.253 146 D HA 0.276 4.941 4.640 0.042 0.000 0.249 146 D C 0.908 177.182 176.300 -0.042 0.000 1.049 146 D CA -0.390 53.574 54.000 -0.060 0.000 0.929 146 D CB 1.942 42.636 40.800 -0.176 0.000 1.176 146 D HN 0.345 nan 8.370 nan 0.000 0.437 147 A N 1.102 123.934 122.820 0.019 0.000 2.044 147 A HA -0.060 4.285 4.320 0.042 0.000 0.213 147 A C 1.156 178.740 177.584 -0.001 0.000 1.169 147 A CA 0.449 52.480 52.037 -0.011 0.000 0.724 147 A CB 0.137 19.031 19.000 -0.177 0.000 0.840 147 A HN 0.421 nan 8.150 nan 0.000 0.463 148 D N 0.754 121.188 120.400 0.058 0.000 3.085 148 D HA 0.182 4.847 4.640 0.042 0.000 0.243 148 D C 0.064 176.366 176.300 0.003 0.000 1.232 148 D CA 0.256 54.313 54.000 0.095 0.000 0.913 148 D CB -0.111 40.775 40.800 0.143 0.000 1.108 148 D HN 0.088 nan 8.370 nan 0.000 0.468 149 K N 0.354 120.745 120.400 -0.015 0.000 2.372 149 K HA 0.352 4.697 4.320 0.042 0.000 0.251 149 K C -0.159 176.517 176.600 0.125 0.000 1.055 149 K CA -0.754 55.511 56.287 -0.038 0.000 0.879 149 K CB 0.967 33.248 32.500 -0.364 0.000 1.384 149 K HN 0.140 nan 8.250 nan 0.000 0.465 150 D N -1.291 119.221 120.400 0.186 0.000 2.569 150 D HA 0.356 5.021 4.640 0.042 0.000 0.266 150 D C 0.711 177.191 176.300 0.300 0.000 1.164 150 D CA -0.584 53.555 54.000 0.231 0.000 1.071 150 D CB 0.589 41.506 40.800 0.196 0.000 1.183 150 D HN 0.327 nan 8.370 nan 0.000 0.613 151 A N -0.527 122.454 122.820 0.269 0.000 1.972 151 A HA -0.072 4.273 4.320 0.042 0.000 0.219 151 A C 2.023 179.779 177.584 0.287 0.000 1.169 151 A CA 2.712 54.942 52.037 0.321 0.000 0.635 151 A CB -1.663 17.485 19.000 0.246 0.000 0.810 151 A HN 0.769 nan 8.150 nan 0.000 0.446 152 D N -1.721 118.811 120.400 0.221 0.000 2.117 152 D HA -0.228 4.437 4.640 0.042 0.000 0.197 152 D C 1.914 178.358 176.300 0.240 0.000 0.987 152 D CA 1.480 55.590 54.000 0.184 0.000 0.829 152 D CB -0.655 nan 40.800 nan 0.000 0.961 152 D HN 0.665 nan 8.370 nan 0.000 0.460 153 Y N 0.994 121.410 120.300 0.194 0.000 2.114 153 Y HA -0.131 4.446 4.550 0.046 0.000 0.284 153 Y C 2.731 178.822 175.900 0.318 0.000 1.143 153 Y CA 2.039 60.273 58.100 0.222 0.000 1.135 153 Y CB -0.317 38.256 38.460 0.188 0.000 0.980 153 Y HN 0.123 nan 8.280 nan 0.000 0.499 154 V N 1.075 121.256 119.914 0.445 0.000 2.324 154 V HA -0.362 3.783 4.120 0.042 0.000 0.250 154 V C 2.490 178.902 176.094 0.529 0.000 1.060 154 V CA 2.428 65.039 62.300 0.519 0.000 1.042 154 V CB -0.854 31.262 31.823 0.489 0.000 0.650 154 V HN 0.385 nan 8.190 nan 0.000 0.450 155 R N -0.360 120.385 120.500 0.410 0.000 2.092 155 R HA -0.141 4.224 4.340 0.042 0.000 0.231 155 R C 2.330 178.758 176.300 0.214 0.000 1.119 155 R CA 1.941 58.235 56.100 0.323 0.000 0.970 155 R CB -0.330 30.079 30.300 0.181 0.000 0.864 155 R HN 0.530 nan 8.270 nan 0.000 0.440 156 T N 0.237 114.873 114.554 0.136 0.000 2.896 156 T HA -0.077 4.298 4.350 0.042 0.000 0.263 156 T C 1.179 175.871 174.700 -0.014 0.000 1.050 156 T CA 1.030 63.159 62.100 0.049 0.000 1.140 156 T CB -0.217 68.665 68.868 0.024 0.000 0.877 156 T HN 0.250 nan 8.240 nan 0.000 0.457 157 F N 1.017 120.869 119.950 -0.163 0.000 2.113 157 F HA 0.021 4.573 4.527 0.042 0.000 0.297 157 F C 1.521 177.246 175.800 -0.126 0.000 1.103 157 F CA 1.194 59.041 58.000 -0.255 0.000 1.248 157 F CB -0.347 38.364 39.000 -0.482 0.000 0.999 157 F HN 0.090 nan 8.300 nan 0.000 0.475 158 F N 0.752 120.689 119.950 -0.021 0.000 2.604 158 F HA -0.084 4.468 4.527 0.042 0.000 0.298 158 F C 2.373 178.141 175.800 -0.054 0.000 1.131 158 F CA 0.951 58.944 58.000 -0.013 0.000 1.457 158 F CB -0.677 38.425 39.000 0.169 0.000 1.095 158 F HN 0.073 nan 8.300 nan 0.000 0.574 159 Q N -0.259 119.585 119.800 0.074 0.000 2.170 159 Q HA -0.193 4.172 4.340 0.042 0.000 0.203 159 Q C 2.313 178.265 176.000 -0.080 0.000 0.976 159 Q CA 0.958 56.777 55.803 0.026 0.000 0.858 159 Q CB -0.157 28.594 28.738 0.021 0.000 0.907 159 Q HN 0.339 nan 8.270 nan 0.000 0.433 160 R N 0.284 120.664 120.500 -0.201 0.000 2.189 160 R HA -0.048 4.317 4.340 0.042 0.000 0.223 160 R C 1.285 177.415 176.300 -0.283 0.000 1.092 160 R CA 0.695 56.616 56.100 -0.299 0.000 0.989 160 R CB 0.152 30.226 30.300 -0.377 0.000 0.876 160 R HN 0.245 nan 8.270 nan 0.000 0.457 161 L N 0.184 121.360 121.223 -0.078 0.000 2.667 161 L HA 0.123 4.488 4.340 0.042 0.000 0.232 161 L C 0.191 177.292 176.870 0.384 0.000 1.138 161 L CA -0.202 54.803 54.840 0.276 0.000 0.921 161 L CB 0.015 42.240 42.059 0.277 0.000 1.180 161 L HN 0.209 nan 8.230 nan 0.000 0.487 162 N N 0.653 119.472 118.700 0.197 0.000 2.747 162 N HA -0.179 4.586 4.740 0.042 0.000 0.249 162 N C -0.363 175.250 175.510 0.171 0.000 1.107 162 N CA 0.723 53.878 53.050 0.175 0.000 0.707 162 N CB -0.435 38.210 38.487 0.264 0.000 1.054 162 N HN 0.089 nan 8.380 nan 0.000 0.555 163 M N 0.797 120.519 119.600 0.203 0.000 2.238 163 M HA 0.306 4.811 4.480 0.042 0.000 0.350 163 M C 0.735 177.125 176.300 0.151 0.000 1.138 163 M CA -0.607 54.806 55.300 0.189 0.000 1.040 163 M CB 1.094 33.858 32.600 0.274 0.000 1.639 163 M HN 0.299 nan 8.290 nan 0.000 0.451 164 N N 1.446 120.210 118.700 0.106 0.000 2.476 164 N HA 0.211 4.976 4.740 0.042 0.000 0.287 164 N C 0.181 175.759 175.510 0.113 0.000 1.262 164 N CA -0.416 52.693 53.050 0.099 0.000 0.980 164 N CB 0.406 38.938 38.487 0.074 0.000 1.163 164 N HN 0.359 nan 8.380 nan 0.000 0.592 165 D N -0.540 119.945 120.400 0.140 0.000 2.133 165 D HA -0.210 4.455 4.640 0.042 0.000 0.195 165 D C 1.699 178.100 176.300 0.167 0.000 0.997 165 D CA 1.443 55.589 54.000 0.244 0.000 0.840 165 D CB -0.153 40.756 40.800 0.181 0.000 0.947 165 D HN 0.659 nan 8.370 nan 0.000 0.452 166 R N 0.757 121.320 120.500 0.104 0.000 2.075 166 R HA -0.100 4.265 4.340 0.042 0.000 0.232 166 R C 2.014 178.394 176.300 0.132 0.000 1.126 166 R CA 1.232 57.393 56.100 0.101 0.000 0.963 166 R CB 0.058 30.414 30.300 0.094 0.000 0.858 166 R HN 0.156 nan 8.270 nan 0.000 0.435 167 E N -0.100 120.146 120.200 0.077 0.000 2.077 167 E HA -0.174 4.201 4.350 0.042 0.000 0.193 167 E C 1.991 178.552 176.600 -0.066 0.000 0.989 167 E CA 1.603 58.025 56.400 0.037 0.000 0.800 167 E CB -0.020 29.700 29.700 0.033 0.000 0.746 167 E HN 0.375 nan 8.360 nan 0.000 0.452 168 V N -1.210 118.587 119.914 -0.194 0.000 2.427 168 V HA -0.163 3.982 4.120 0.042 0.000 0.248 168 V C 2.121 177.997 176.094 -0.363 0.000 1.051 168 V CA 1.286 63.263 62.300 -0.537 0.000 1.048 168 V CB -0.490 30.861 31.823 -0.786 0.000 0.666 168 V HN 0.056 nan 8.190 nan 0.000 0.456 169 V N 1.223 121.043 119.914 -0.155 0.000 2.358 169 V HA -0.128 4.017 4.120 0.042 0.000 0.246 169 V C 3.158 179.457 176.094 0.343 0.000 1.047 169 V CA 2.176 64.495 62.300 0.031 0.000 1.035 169 V CB -1.349 30.497 31.823 0.038 0.000 0.658 169 V HN 0.689 nan 8.190 nan 0.000 0.452 170 A N -0.121 122.961 122.820 0.436 0.000 1.858 170 A HA -0.154 4.191 4.320 0.042 0.000 0.216 170 A C 2.213 180.120 177.584 0.538 0.000 1.190 170 A CA 1.802 54.174 52.037 0.559 0.000 0.617 170 A CB -0.601 18.630 19.000 0.385 0.000 0.827 170 A HN 0.479 nan 8.150 nan 0.000 0.443 171 L N -1.816 119.512 121.223 0.174 0.000 2.083 171 L HA -0.183 4.182 4.340 0.042 0.000 0.209 171 L C 2.686 179.477 176.870 -0.131 0.000 1.083 171 L CA 1.562 56.428 54.840 0.042 0.000 0.752 171 L CB -0.346 41.603 42.059 -0.183 0.000 0.899 171 L HN 0.401 nan 8.230 nan 0.000 0.433 172 M N -0.131 119.277 119.600 -0.319 0.000 2.460 172 M HA -0.041 4.464 4.480 0.042 0.000 0.263 172 M C 1.854 177.482 176.300 -1.120 0.000 1.071 172 M CA 1.088 55.963 55.300 -0.709 0.000 1.096 172 M CB -0.487 31.800 32.600 -0.522 0.000 1.408 172 M HN 0.141 nan 8.290 nan 0.000 0.463 173 G N -1.120 107.340 108.800 -0.567 0.000 2.598 173 G HA2 0.016 4.001 3.960 0.042 0.000 0.215 173 G HA3 0.016 4.001 3.960 0.042 0.000 0.215 173 G C 1.452 175.931 174.900 -0.703 0.000 1.131 173 G CA 0.640 45.272 45.100 -0.779 0.000 0.785 173 G HN 0.583 nan 8.290 nan 0.000 0.539 174 A N 0.034 122.551 122.820 -0.504 0.000 2.121 174 A HA 0.005 4.350 4.320 0.042 0.000 0.218 174 A C 1.755 179.031 177.584 -0.513 0.000 1.154 174 A CA 0.872 52.671 52.037 -0.397 0.000 0.679 174 A CB -0.655 18.291 19.000 -0.091 0.000 0.795 174 A HN 0.594 nan 8.150 nan 0.000 0.458 175 H N -0.959 117.508 119.070 -1.005 0.000 2.567 175 H HA 0.097 4.682 4.556 0.048 0.000 0.276 175 H C 2.093 176.917 175.328 -0.839 0.000 1.016 175 H CA 0.106 55.328 56.048 -1.377 0.000 1.186 175 H CB 0.174 28.636 29.762 -2.166 0.000 1.351 175 H HN 0.596 nan 8.280 nan 0.000 0.605 176 A N 0.681 123.208 122.820 -0.489 0.000 2.119 176 A HA 0.032 4.377 4.320 0.042 0.000 0.217 176 A C 0.847 178.360 177.584 -0.118 0.000 1.153 176 A CA 0.349 52.237 52.037 -0.249 0.000 0.692 176 A CB -0.030 18.738 19.000 -0.387 0.000 0.799 176 A HN 0.186 nan 8.150 nan 0.000 0.458 177 L N -1.082 120.069 121.223 -0.120 0.000 2.325 177 L HA 0.594 4.959 4.340 0.042 0.000 0.279 177 L C 1.286 178.243 176.870 0.145 0.000 1.054 177 L CA -0.007 54.842 54.840 0.014 0.000 0.804 177 L CB 0.998 43.069 42.059 0.020 0.000 1.200 177 L HN 0.514 nan 8.230 nan 0.000 0.436 178 G N 2.524 111.421 108.800 0.160 0.000 2.564 178 G HA2 -0.253 3.732 3.960 0.042 0.000 0.273 178 G HA3 -0.253 3.732 3.960 0.042 0.000 0.273 178 G C -0.529 174.505 174.900 0.223 0.000 1.242 178 G CA 0.512 45.730 45.100 0.196 0.000 0.951 178 G HN 0.968 nan 8.290 nan 0.000 0.564 179 K N -2.211 118.272 120.400 0.138 0.000 2.499 179 K HA 0.715 5.060 4.320 0.042 0.000 0.284 179 K C -0.683 175.719 176.600 -0.330 0.000 1.039 179 K CA -0.258 55.907 56.287 -0.204 0.000 0.873 179 K CB 1.079 33.382 32.500 -0.327 0.000 1.545 179 K HN 1.234 nan 8.250 nan 0.000 0.402 180 T N -0.816 113.392 114.554 -0.576 0.000 2.829 180 T HA 0.413 4.788 4.350 0.042 0.000 0.282 180 T C -0.562 173.924 174.700 -0.356 0.000 0.990 180 T CA -0.740 61.154 62.100 -0.344 0.000 1.028 180 T CB 0.623 69.280 68.868 -0.353 0.000 0.951 180 T HN 0.485 nan 8.240 nan 0.000 0.460 181 H N 2.702 121.764 119.070 -0.014 0.000 2.505 181 H HA 0.311 4.892 4.556 0.041 0.000 0.338 181 H C 0.592 175.925 175.328 0.010 0.000 1.057 181 H CA -0.737 55.304 56.048 -0.011 0.000 1.202 181 H CB 2.373 32.133 29.762 -0.004 0.000 1.466 181 H HN 0.472 nan 8.280 nan 0.000 0.499 182 L N 2.816 124.088 121.223 0.082 0.000 2.131 182 L HA -0.174 4.191 4.340 0.042 0.000 0.210 182 L C 2.111 179.005 176.870 0.040 0.000 1.092 182 L CA 1.473 56.332 54.840 0.032 0.000 0.759 182 L CB -0.088 41.964 42.059 -0.012 0.000 0.903 182 L HN 0.383 nan 8.230 nan 0.000 0.435 183 K N -0.439 119.997 120.400 0.060 0.000 2.148 183 K HA -0.058 4.287 4.320 0.042 0.000 0.204 183 K C 1.696 178.323 176.600 0.044 0.000 1.050 183 K CA 0.991 57.301 56.287 0.038 0.000 0.942 183 K CB -0.434 32.083 32.500 0.028 0.000 0.724 183 K HN 0.437 nan 8.250 nan 0.000 0.446 184 N N 0.149 118.896 118.700 0.078 0.000 2.258 184 N HA -0.065 4.700 4.740 0.042 0.000 0.183 184 N C 1.772 177.346 175.510 0.107 0.000 1.029 184 N CA 1.626 54.726 53.050 0.083 0.000 0.857 184 N CB -0.078 38.470 38.487 0.102 0.000 1.008 184 N HN 0.205 nan 8.380 nan 0.000 0.433 185 S N -2.002 113.785 115.700 0.145 0.000 2.520 185 S HA 0.386 4.881 4.470 0.042 0.000 0.219 185 S C 1.296 175.985 174.600 0.148 0.000 1.028 185 S CA 0.509 58.821 58.200 0.187 0.000 0.921 185 S CB 1.047 64.415 63.200 0.280 0.000 0.844 185 S HN 0.408 nan 8.310 nan 0.000 0.495 186 G N 0.068 108.893 108.800 0.042 0.000 2.144 186 G HA2 -0.183 3.802 3.960 0.042 0.000 0.218 186 G HA3 -0.183 3.802 3.960 0.042 0.000 0.218 186 G C -0.312 174.355 174.900 -0.388 0.000 0.988 186 G CA 0.048 45.054 45.100 -0.156 0.000 0.659 186 G HN 0.527 nan 8.290 nan 0.000 0.522 187 Y N -0.481 119.808 120.300 -0.019 0.000 2.536 187 Y HA 0.727 5.304 4.550 0.045 0.000 0.347 187 Y C 0.061 175.898 175.900 -0.105 0.000 1.000 187 Y CA -1.107 56.956 58.100 -0.061 0.000 1.051 187 Y CB 2.289 40.710 38.460 -0.065 0.000 1.259 187 Y HN 0.141 nan 8.280 nan 0.000 0.468 188 E N 0.753 120.964 120.200 0.018 0.000 2.292 188 E HA 0.694 5.069 4.350 0.042 0.000 0.272 188 E C -0.562 175.957 176.600 -0.135 0.000 0.881 188 E CA -0.141 56.211 56.400 -0.081 0.000 0.754 188 E CB 1.938 31.600 29.700 -0.063 0.000 1.201 188 E HN 0.918 nan 8.360 nan 0.000 0.425 189 G N 3.474 112.147 108.800 -0.212 0.000 2.515 189 G HA2 0.009 3.994 3.960 0.042 0.000 0.686 189 G HA3 0.009 3.994 3.960 0.042 0.000 0.686 189 G C -2.940 171.764 174.900 -0.327 0.000 1.274 189 G CA -0.509 44.471 45.100 -0.200 0.000 0.874 189 G HN 0.517 nan 8.290 nan 0.000 0.631 190 P HA 0.325 nan 4.420 nan 0.000 0.281 190 P C 0.340 177.570 177.300 -0.117 0.000 1.264 190 P CA -0.539 62.466 63.100 -0.158 0.000 0.824 190 P CB 1.002 32.711 31.700 0.014 0.000 1.092 191 W N 0.166 121.462 121.300 -0.006 0.000 2.942 191 W HA 0.237 4.928 4.660 0.051 0.000 0.263 191 W C 0.896 177.310 176.519 -0.174 0.000 1.296 191 W CA 0.618 57.972 57.345 0.015 0.000 1.504 191 W CB 0.494 29.991 29.460 0.061 0.000 1.096 191 W HN 0.472 nan 8.180 nan 0.000 0.639 192 G N -1.645 107.094 108.800 -0.102 0.000 2.663 192 G HA2 0.440 4.425 3.960 0.042 0.000 0.299 192 G HA3 0.440 4.425 3.960 0.042 0.000 0.299 192 G C 0.005 174.698 174.900 -0.345 0.000 1.372 192 G CA 0.037 44.839 45.100 -0.497 0.000 0.781 192 G HN -0.138 nan 8.290 nan 0.000 0.491 193 A N -0.894 121.763 122.820 -0.270 0.000 1.984 193 A HA 0.569 4.914 4.320 0.042 0.000 0.214 193 A C 1.825 179.423 177.584 0.023 0.000 1.173 193 A CA 1.763 53.805 52.037 0.008 0.000 0.673 193 A CB -0.242 18.826 19.000 0.114 0.000 0.830 193 A HN 1.767 nan 8.150 nan 0.000 0.453 194 A N 1.209 124.027 122.820 -0.003 0.000 3.202 194 A HA 0.336 4.681 4.320 0.042 0.000 0.258 194 A C 0.562 178.162 177.584 0.026 0.000 1.572 194 A CA -0.018 52.032 52.037 0.022 0.000 1.241 194 A CB -1.352 17.661 19.000 0.021 0.000 1.127 194 A HN 0.627 nan 8.150 nan 0.000 0.648 195 N N 0.765 119.490 118.700 0.041 0.000 2.586 195 N HA -0.206 4.559 4.740 0.042 0.000 0.191 195 N C 0.598 176.149 175.510 0.069 0.000 1.085 195 N CA 1.521 54.607 53.050 0.060 0.000 0.921 195 N CB -0.223 38.306 38.487 0.070 0.000 0.954 195 N HN 0.666 nan 8.380 nan 0.000 0.448 196 N N -1.420 117.321 118.700 0.069 0.000 2.240 196 N HA 0.115 4.880 4.740 0.042 0.000 0.240 196 N C -1.295 174.266 175.510 0.085 0.000 1.277 196 N CA -0.405 52.693 53.050 0.079 0.000 0.873 196 N CB 0.346 38.885 38.487 0.087 0.000 1.222 196 N HN -0.014 nan 8.380 nan 0.000 0.507 197 V N 1.129 121.092 119.914 0.082 0.000 2.487 197 V HA 0.430 4.575 4.120 0.042 0.000 0.298 197 V C -0.993 175.175 176.094 0.124 0.000 1.028 197 V CA -0.950 61.416 62.300 0.110 0.000 0.860 197 V CB 1.579 33.460 31.823 0.096 0.000 0.991 197 V HN 0.158 nan 8.190 nan 0.000 0.427 198 F N 5.312 125.266 119.950 0.006 0.000 2.438 198 F HA 0.547 5.095 4.527 0.035 0.000 0.360 198 F C 0.772 176.689 175.800 0.195 0.000 1.118 198 F CA 0.368 58.355 58.000 -0.021 0.000 1.164 198 F CB 0.533 39.395 39.000 -0.230 0.000 1.131 198 F HN 0.736 nan 8.300 nan 0.000 0.527 199 T N 0.659 115.203 114.554 -0.018 0.000 2.716 199 T HA 0.263 4.638 4.350 0.042 0.000 0.286 199 T C 0.256 175.020 174.700 0.107 0.000 1.052 199 T CA -0.632 61.574 62.100 0.177 0.000 1.024 199 T CB 1.288 70.207 68.868 0.086 0.000 1.349 199 T HN 0.584 nan 8.240 nan 0.000 0.525 200 N N -0.780 118.007 118.700 0.146 0.000 2.314 200 N HA 0.045 4.810 4.740 0.042 0.000 0.200 200 N C 1.293 176.822 175.510 0.032 0.000 1.135 200 N CA -0.006 53.083 53.050 0.065 0.000 0.835 200 N CB -0.148 38.419 38.487 0.133 0.000 0.989 200 N HN 0.835 nan 8.380 nan 0.000 0.478 201 E N 0.412 120.593 120.200 -0.032 0.000 2.171 201 E HA -0.305 4.070 4.350 0.042 0.000 0.197 201 E C 1.399 177.950 176.600 -0.081 0.000 0.997 201 E CA 0.817 57.191 56.400 -0.044 0.000 0.810 201 E CB -0.539 29.124 29.700 -0.062 0.000 0.738 201 E HN 0.482 nan 8.360 nan 0.000 0.467 202 F N 1.529 121.255 119.950 -0.374 0.000 2.091 202 F HA -0.256 4.296 4.527 0.041 0.000 0.299 202 F C 1.651 177.177 175.800 -0.457 0.000 1.103 202 F CA 1.681 59.380 58.000 -0.501 0.000 1.228 202 F CB -0.325 38.168 39.000 -0.845 0.000 0.984 202 F HN -0.047 nan 8.300 nan 0.000 0.477 203 Y N -0.078 120.098 120.300 -0.206 0.000 2.263 203 Y HA -0.073 4.501 4.550 0.039 0.000 0.292 203 Y C 2.357 178.164 175.900 -0.156 0.000 1.130 203 Y CA 1.116 59.073 58.100 -0.239 0.000 1.179 203 Y CB -0.905 37.479 38.460 -0.127 0.000 0.998 203 Y HN 0.057 nan 8.280 nan 0.000 0.532 204 L N -0.238 121.015 121.223 0.051 0.000 2.093 204 L HA -0.197 4.168 4.340 0.042 0.000 0.208 204 L C 1.821 178.720 176.870 0.048 0.000 1.085 204 L CA 1.092 55.958 54.840 0.043 0.000 0.755 204 L CB -0.421 41.661 42.059 0.039 0.000 0.904 204 L HN 0.215 nan 8.230 nan 0.000 0.435 205 N N -0.069 118.655 118.700 0.040 0.000 2.270 205 N HA -0.094 4.671 4.740 0.042 0.000 0.181 205 N C 1.913 177.644 175.510 0.369 0.000 1.016 205 N CA 0.882 54.038 53.050 0.177 0.000 0.870 205 N CB -0.168 38.421 38.487 0.171 0.000 0.979 205 N HN 0.247 nan 8.380 nan 0.000 0.431 206 L N 0.013 121.285 121.223 0.081 0.000 2.046 206 L HA -0.131 4.234 4.340 0.042 0.000 0.208 206 L C 1.197 178.176 176.870 0.183 0.000 1.077 206 L CA 1.141 55.981 54.840 -0.000 0.000 0.747 206 L CB -0.124 41.678 42.059 -0.429 0.000 0.896 206 L HN 0.202 nan 8.230 nan 0.000 0.432 207 L N -4.687 116.594 121.223 0.096 0.000 2.731 207 L HA 0.258 4.623 4.340 0.042 0.000 0.240 207 L C 1.314 178.234 176.870 0.082 0.000 1.120 207 L CA 0.441 55.325 54.840 0.074 0.000 0.913 207 L CB -0.476 41.578 42.059 -0.007 0.000 1.213 207 L HN -0.057 nan 8.230 nan 0.000 0.515 208 N N -0.340 118.412 118.700 0.086 0.000 2.322 208 N HA 0.096 4.861 4.740 0.042 0.000 0.181 208 N C 0.297 175.797 175.510 -0.016 0.000 1.088 208 N CA 0.286 53.357 53.050 0.035 0.000 0.885 208 N CB 0.438 38.943 38.487 0.030 0.000 1.013 208 N HN 0.381 nan 8.380 nan 0.000 0.472 209 E N 0.817 120.984 120.200 -0.056 0.000 2.250 209 E HA 0.195 4.570 4.350 0.042 0.000 0.269 209 E C -0.661 175.666 176.600 -0.455 0.000 1.018 209 E CA -0.246 55.949 56.400 -0.342 0.000 0.873 209 E CB 1.246 30.540 29.700 -0.677 0.000 1.134 209 E HN 0.054 nan 8.360 nan 0.000 0.403 210 D N 1.705 121.833 120.400 -0.452 0.000 2.359 210 D HA 0.166 4.831 4.640 0.042 0.000 0.230 210 D C -0.654 175.468 176.300 -0.298 0.000 1.118 210 D CA -0.112 53.742 54.000 -0.242 0.000 0.844 210 D CB 0.502 41.229 40.800 -0.121 0.000 1.059 210 D HN 0.151 nan 8.370 nan 0.000 0.493 211 W N 2.302 123.709 121.300 0.178 0.000 2.433 211 W HA 0.360 5.047 4.660 0.044 0.000 0.315 211 W C 0.427 177.125 176.519 0.297 0.000 1.087 211 W CA -0.873 56.620 57.345 0.247 0.000 1.205 211 W CB 1.260 30.887 29.460 0.278 0.000 1.288 211 W HN -0.052 nan 8.180 nan 0.000 0.504 212 K N 2.300 122.968 120.400 0.446 0.000 2.397 212 K HA 0.440 4.785 4.320 0.042 0.000 0.253 212 K C -1.351 175.206 176.600 -0.071 0.000 0.932 212 K CA -0.884 55.507 56.287 0.174 0.000 0.795 212 K CB 1.566 34.106 32.500 0.066 0.000 1.159 212 K HN 0.320 nan 8.250 nan 0.000 0.424 213 L N 3.403 124.324 121.223 -0.503 0.000 2.315 213 L HA 0.293 4.658 4.340 0.042 0.000 0.283 213 L C -0.462 176.167 176.870 -0.402 0.000 1.089 213 L CA 0.895 55.226 54.840 -0.848 0.000 0.833 213 L CB 0.023 41.296 42.059 -1.310 0.000 1.170 213 L HN 0.635 nan 8.230 nan 0.000 0.442 214 E N 4.073 124.098 120.200 -0.291 0.000 2.404 214 E HA 0.480 4.855 4.350 0.042 0.000 0.264 214 E C -1.013 175.497 176.600 -0.149 0.000 0.946 214 E CA -1.099 55.199 56.400 -0.170 0.000 0.806 214 E CB 1.978 31.618 29.700 -0.100 0.000 1.334 214 E HN 0.401 nan 8.360 nan 0.000 0.429 215 K N 1.788 122.121 120.400 -0.111 0.000 2.244 215 K HA 0.278 4.623 4.320 0.042 0.000 0.260 215 K C -0.254 176.292 176.600 -0.089 0.000 0.951 215 K CA -0.644 55.581 56.287 -0.103 0.000 0.826 215 K CB 1.158 33.602 32.500 -0.093 0.000 1.108 215 K HN 0.462 nan 8.250 nan 0.000 0.433 216 N N 0.324 118.963 118.700 -0.102 0.000 2.495 216 N HA 0.083 4.848 4.740 0.042 0.000 0.294 216 N C 0.005 175.458 175.510 -0.095 0.000 1.276 216 N CA -0.438 52.556 53.050 -0.094 0.000 0.973 216 N CB 0.292 38.714 38.487 -0.107 0.000 1.143 216 N HN 0.299 nan 8.380 nan 0.000 0.589 217 D N -1.617 118.733 120.400 -0.085 0.000 2.336 217 D HA 0.147 4.812 4.640 0.042 0.000 0.229 217 D C 0.280 176.530 176.300 -0.083 0.000 1.061 217 D CA 0.377 54.334 54.000 -0.073 0.000 0.875 217 D CB -0.266 40.501 40.800 -0.055 0.000 0.904 217 D HN 0.632 nan 8.370 nan 0.000 0.525 218 A N 0.039 122.789 122.820 -0.118 0.000 2.538 218 A HA 0.218 4.563 4.320 0.042 0.000 0.269 218 A C 0.824 178.323 177.584 -0.141 0.000 1.231 218 A CA -0.287 51.673 52.037 -0.129 0.000 0.948 218 A CB -0.153 18.746 19.000 -0.168 0.000 1.110 218 A HN 0.082 nan 8.150 nan 0.000 0.529 219 N N -0.510 118.113 118.700 -0.129 0.000 2.900 219 N HA -0.146 4.619 4.740 0.042 0.000 0.240 219 N C -0.379 175.046 175.510 -0.142 0.000 0.953 219 N CA 1.047 54.028 53.050 -0.115 0.000 0.950 219 N CB -1.146 37.289 38.487 -0.086 0.000 1.102 219 N HN 0.561 nan 8.380 nan 0.000 0.593 220 N N 1.211 119.778 118.700 -0.222 0.000 2.513 220 N HA 0.132 4.897 4.740 0.042 0.000 0.274 220 N C -0.403 175.001 175.510 -0.177 0.000 1.189 220 N CA 0.284 53.169 53.050 -0.275 0.000 0.975 220 N CB 0.556 38.640 38.487 -0.671 0.000 1.157 220 N HN 0.216 nan 8.380 nan 0.000 0.465 221 E N 1.308 121.469 120.200 -0.065 0.000 2.115 221 E HA 0.140 4.515 4.350 0.042 0.000 0.282 221 E C -0.398 176.240 176.600 0.062 0.000 0.987 221 E CA -0.436 55.933 56.400 -0.052 0.000 0.797 221 E CB 0.981 30.620 29.700 -0.101 0.000 1.086 221 E HN 0.470 nan 8.360 nan 0.000 0.397 222 Q N 1.905 121.701 119.800 -0.007 0.000 2.423 222 Q HA 0.413 4.778 4.340 0.042 0.000 0.278 222 Q C -1.271 174.665 176.000 -0.107 0.000 1.097 222 Q CA -1.059 54.783 55.803 0.065 0.000 0.809 222 Q CB 1.230 30.114 28.738 0.243 0.000 1.391 222 Q HN 0.374 nan 8.270 nan 0.000 0.428 223 W N 2.025 123.307 121.300 -0.030 0.000 2.387 223 W HA 0.331 5.018 4.660 0.044 0.000 0.310 223 W C -0.681 175.972 176.519 0.223 0.000 1.181 223 W CA 0.195 57.528 57.345 -0.020 0.000 1.333 223 W CB 0.816 30.099 29.460 -0.295 0.000 1.286 223 W HN 0.535 nan 8.180 nan 0.000 0.455 224 D N 1.367 122.028 120.400 0.435 0.000 2.272 224 D HA 0.445 5.110 4.640 0.042 0.000 0.247 224 D C -0.113 176.392 176.300 0.341 0.000 0.990 224 D CA -0.442 53.791 54.000 0.389 0.000 0.931 224 D CB 1.694 42.578 40.800 0.141 0.000 1.195 224 D HN 0.205 nan 8.370 nan 0.000 0.477 225 S N -0.720 115.018 115.700 0.064 0.000 2.648 225 S HA 0.347 4.842 4.470 0.042 0.000 0.305 225 S C 0.797 175.250 174.600 -0.246 0.000 1.094 225 S CA -0.764 57.240 58.200 -0.327 0.000 0.983 225 S CB 2.034 64.764 63.200 -0.784 0.000 1.101 225 S HN 0.458 nan 8.310 nan 0.000 0.514 226 K N 0.247 120.488 120.400 -0.266 0.000 2.283 226 K HA 0.061 4.406 4.320 0.042 0.000 0.202 226 K C 1.516 177.958 176.600 -0.263 0.000 1.048 226 K CA 1.483 57.645 56.287 -0.209 0.000 0.948 226 K CB -0.363 32.037 32.500 -0.167 0.000 0.742 226 K HN 0.375 nan 8.250 nan 0.000 0.458 227 S N -0.314 115.139 115.700 -0.411 0.000 2.631 227 S HA 0.193 4.688 4.470 0.042 0.000 0.217 227 S C 1.006 175.208 174.600 -0.663 0.000 0.958 227 S CA 0.421 58.289 58.200 -0.552 0.000 0.920 227 S CB -0.407 62.352 63.200 -0.735 0.000 0.776 227 S HN 0.753 nan 8.310 nan 0.000 0.517 228 G N 0.181 108.726 108.800 -0.425 0.000 2.176 228 G HA2 -0.236 3.749 3.960 0.042 0.000 0.253 228 G HA3 -0.236 3.749 3.960 0.042 0.000 0.253 228 G C -0.145 174.711 174.900 -0.074 0.000 0.979 228 G CA 0.305 45.264 45.100 -0.234 0.000 0.641 228 G HN 0.492 nan 8.290 nan 0.000 0.530 229 Y N -0.164 120.152 120.300 0.027 0.000 2.392 229 Y HA 0.819 5.395 4.550 0.044 0.000 0.323 229 Y C 0.634 176.697 175.900 0.273 0.000 1.291 229 Y CA -1.081 57.097 58.100 0.129 0.000 1.345 229 Y CB 0.844 39.440 38.460 0.225 0.000 1.320 229 Y HN 0.434 nan 8.280 nan 0.000 0.518 230 M N 0.772 120.617 119.600 0.407 0.000 2.631 230 M HA 0.807 5.312 4.480 0.042 0.000 0.288 230 M C -1.675 174.643 176.300 0.031 0.000 1.260 230 M CA -0.882 54.570 55.300 0.253 0.000 0.842 230 M CB 2.392 34.997 32.600 0.008 0.000 1.743 230 M HN 0.346 nan 8.290 nan 0.000 0.461 231 M N 2.270 121.852 119.600 -0.029 0.000 2.446 231 M HA 0.582 5.087 4.480 0.042 0.000 0.294 231 M C -1.430 174.923 176.300 0.089 0.000 1.158 231 M CA -0.459 54.817 55.300 -0.040 0.000 0.899 231 M CB 2.279 34.621 32.600 -0.430 0.000 1.687 231 M HN 0.923 nan 8.290 nan 0.000 0.455 232 L N 2.842 124.155 121.223 0.151 0.000 2.439 232 L HA 0.314 4.679 4.340 0.042 0.000 0.259 232 L C -1.372 175.596 176.870 0.164 0.000 1.129 232 L CA -1.495 53.358 54.840 0.023 0.000 0.803 232 L CB 0.330 42.378 42.059 -0.019 0.000 1.161 232 L HN 0.447 nan 8.230 nan 0.000 0.462 233 P HA -0.136 nan 4.420 nan 0.000 0.221 233 P C 1.298 178.725 177.300 0.212 0.000 1.145 233 P CA 1.185 64.452 63.100 0.279 0.000 0.795 233 P CB 0.112 31.956 31.700 0.241 0.000 0.775 234 T N -4.912 109.743 114.554 0.169 0.000 2.978 234 T HA -0.042 4.333 4.350 0.042 0.000 0.262 234 T C 1.465 176.266 174.700 0.168 0.000 1.063 234 T CA 0.831 63.045 62.100 0.190 0.000 1.140 234 T CB -0.701 68.293 68.868 0.210 0.000 0.886 234 T HN -0.009 nan 8.240 nan 0.000 0.470 235 D N 0.476 120.988 120.400 0.188 0.000 2.103 235 D HA -0.030 4.635 4.640 0.042 0.000 0.199 235 D C 1.569 177.865 176.300 -0.006 0.000 0.978 235 D CA 1.017 55.139 54.000 0.204 0.000 0.829 235 D CB -0.392 40.617 40.800 0.349 0.000 0.981 235 D HN 0.483 nan 8.370 nan 0.000 0.464 236 Y N 1.425 121.571 120.300 -0.256 0.000 2.571 236 Y HA -0.129 4.447 4.550 0.043 0.000 0.294 236 Y C 2.251 177.967 175.900 -0.306 0.000 1.141 236 Y CA 1.012 58.808 58.100 -0.507 0.000 1.308 236 Y CB 0.054 37.897 38.460 -1.029 0.000 1.002 236 Y HN -0.093 nan 8.280 nan 0.000 0.551 237 S N -0.473 115.225 115.700 -0.003 0.000 2.474 237 S HA -0.135 4.360 4.470 0.042 0.000 0.235 237 S C 1.653 176.287 174.600 0.056 0.000 0.997 237 S CA 0.988 59.229 58.200 0.068 0.000 0.949 237 S CB -0.762 62.547 63.200 0.181 0.000 0.766 237 S HN 0.568 nan 8.310 nan 0.000 0.517 238 L N 1.074 122.265 121.223 -0.054 0.000 2.376 238 L HA 0.194 4.559 4.340 0.042 0.000 0.219 238 L C 2.202 179.018 176.870 -0.090 0.000 1.133 238 L CA 0.982 55.789 54.840 -0.055 0.000 0.816 238 L CB -0.571 41.410 42.059 -0.131 0.000 0.933 238 L HN 0.559 nan 8.230 nan 0.000 0.449 239 I N -5.005 115.399 120.570 -0.277 0.000 4.139 239 I HA 0.043 4.238 4.170 0.042 0.000 0.335 239 I C 1.803 177.762 176.117 -0.263 0.000 1.327 239 I CA 0.147 61.261 61.300 -0.309 0.000 1.112 239 I CB 0.119 37.840 38.000 -0.466 0.000 1.058 239 I HN 0.136 nan 8.210 nan 0.000 0.396 240 Q N 1.571 121.245 119.800 -0.211 0.000 2.204 240 Q HA 0.032 4.397 4.340 0.042 0.000 0.198 240 Q C 0.064 176.049 176.000 -0.026 0.000 0.946 240 Q CA 0.753 56.497 55.803 -0.098 0.000 0.859 240 Q CB 0.154 28.880 28.738 -0.021 0.000 0.946 240 Q HN 0.519 nan 8.270 nan 0.000 0.474 241 D N 1.272 121.680 120.400 0.013 0.000 2.312 241 D HA 0.022 4.687 4.640 0.042 0.000 0.252 241 D C -1.526 174.757 176.300 -0.027 0.000 1.150 241 D CA -1.937 52.059 54.000 -0.007 0.000 0.870 241 D CB 1.288 42.080 40.800 -0.013 0.000 1.153 241 D HN -0.114 nan 8.370 nan 0.000 0.457 242 P HA -0.203 nan 4.420 nan 0.000 0.216 242 P C 0.787 178.055 177.300 -0.053 0.000 1.150 242 P CA 1.142 64.213 63.100 -0.048 0.000 0.837 242 P CB 0.290 31.963 31.700 -0.046 0.000 0.786 243 K N -1.113 119.230 120.400 -0.096 0.000 2.103 243 K HA -0.102 4.243 4.320 0.042 0.000 0.204 243 K C 2.347 178.944 176.600 -0.005 0.000 1.052 243 K CA 1.195 57.423 56.287 -0.100 0.000 0.945 243 K CB -0.647 31.735 32.500 -0.196 0.000 0.722 243 K HN 0.206 nan 8.250 nan 0.000 0.443 244 Y N 1.332 121.599 120.300 -0.055 0.000 2.263 244 Y HA -0.037 4.530 4.550 0.029 0.000 0.292 244 Y C 2.231 178.074 175.900 -0.095 0.000 1.130 244 Y CA -0.044 58.017 58.100 -0.065 0.000 1.179 244 Y CB -0.699 37.737 38.460 -0.040 0.000 0.998 244 Y HN -0.030 nan 8.280 nan 0.000 0.532 245 L N -0.920 120.343 121.223 0.067 0.000 2.042 245 L HA -0.273 4.092 4.340 0.042 0.000 0.210 245 L C 2.178 179.013 176.870 -0.059 0.000 1.076 245 L CA 1.740 56.565 54.840 -0.025 0.000 0.749 245 L CB -0.449 41.582 42.059 -0.046 0.000 0.893 245 L HN 0.179 nan 8.230 nan 0.000 0.432 246 S N 0.100 115.765 115.700 -0.057 0.000 2.368 246 S HA -0.153 4.342 4.470 0.042 0.000 0.225 246 S C 1.803 176.311 174.600 -0.155 0.000 1.030 246 S CA 1.433 59.581 58.200 -0.086 0.000 0.999 246 S CB -0.220 62.939 63.200 -0.069 0.000 0.844 246 S HN 0.403 nan 8.310 nan 0.000 0.459 247 I N 0.795 121.249 120.570 -0.193 0.000 2.353 247 I HA -0.078 4.117 4.170 0.042 0.000 0.248 247 I C 2.104 177.873 176.117 -0.579 0.000 1.119 247 I CA 0.582 61.630 61.300 -0.421 0.000 1.417 247 I CB -0.439 37.341 38.000 -0.367 0.000 1.078 247 I HN 0.113 nan 8.210 nan 0.000 0.421 248 V N 1.277 121.016 119.914 -0.292 0.000 2.343 248 V HA -0.292 3.853 4.120 0.042 0.000 0.247 248 V C 2.438 178.427 176.094 -0.175 0.000 1.051 248 V CA 1.949 64.148 62.300 -0.168 0.000 1.036 248 V CB -0.672 31.149 31.823 -0.004 0.000 0.654 248 V HN 0.395 nan 8.190 nan 0.000 0.451 249 K N -0.166 120.149 120.400 -0.142 0.000 2.097 249 K HA -0.207 4.138 4.320 0.042 0.000 0.205 249 K C 2.200 178.734 176.600 -0.109 0.000 1.050 249 K CA 1.558 57.788 56.287 -0.096 0.000 0.938 249 K CB -0.162 32.292 32.500 -0.076 0.000 0.718 249 K HN 0.567 nan 8.250 nan 0.000 0.442 250 E N -0.031 120.061 120.200 -0.181 0.000 2.106 250 E HA -0.184 4.191 4.350 0.042 0.000 0.192 250 E C 1.282 177.863 176.600 -0.031 0.000 0.984 250 E CA 1.041 57.357 56.400 -0.139 0.000 0.806 250 E CB 0.107 29.674 29.700 -0.222 0.000 0.750 250 E HN 0.306 nan 8.360 nan 0.000 0.458 251 Y N -0.334 119.796 120.300 -0.284 0.000 2.420 251 Y HA 0.200 4.762 4.550 0.020 0.000 0.292 251 Y C 2.160 177.867 175.900 -0.322 0.000 1.119 251 Y CA 0.456 58.297 58.100 -0.431 0.000 1.229 251 Y CB -0.698 37.100 38.460 -1.102 0.000 1.026 251 Y HN 0.144 nan 8.280 nan 0.000 0.554 252 A N 0.210 122.993 122.820 -0.062 0.000 1.968 252 A HA -0.125 4.220 4.320 0.042 0.000 0.217 252 A C 1.929 179.523 177.584 0.016 0.000 1.169 252 A CA 1.547 53.598 52.037 0.023 0.000 0.638 252 A CB -0.349 18.674 19.000 0.038 0.000 0.812 252 A HN 0.332 nan 8.150 nan 0.000 0.446 253 N N -0.228 118.475 118.700 0.005 0.000 2.368 253 N HA 0.011 4.776 4.740 0.042 0.000 0.176 253 N C -0.413 175.104 175.510 0.012 0.000 1.021 253 N CA 0.687 53.740 53.050 0.006 0.000 0.888 253 N CB 0.133 38.619 38.487 -0.002 0.000 0.995 253 N HN 0.358 nan 8.380 nan 0.000 0.437 254 D N 0.259 120.679 120.400 0.032 0.000 2.469 254 D HA 0.121 4.786 4.640 0.042 0.000 0.251 254 D C 0.360 176.689 176.300 0.048 0.000 1.173 254 D CA -0.231 53.791 54.000 0.036 0.000 0.882 254 D CB 1.540 42.375 40.800 0.058 0.000 1.129 254 D HN -0.046 nan 8.370 nan 0.000 0.549 255 Q N 2.432 122.219 119.800 -0.022 0.000 2.137 255 Q HA -0.093 4.272 4.340 0.042 0.000 0.198 255 Q C 0.529 176.427 176.000 -0.171 0.000 0.960 255 Q CA 0.951 56.708 55.803 -0.078 0.000 0.847 255 Q CB 0.419 29.015 28.738 -0.237 0.000 0.915 255 Q HN 0.449 nan 8.270 nan 0.000 0.448 256 D N 0.369 120.678 120.400 -0.151 0.000 2.178 256 D HA -0.152 4.513 4.640 0.042 0.000 0.201 256 D C 1.713 178.036 176.300 0.037 0.000 0.980 256 D CA 0.825 54.774 54.000 -0.085 0.000 0.842 256 D CB 0.092 40.863 40.800 -0.048 0.000 0.948 256 D HN 0.065 nan 8.370 nan 0.000 0.472 257 K N 0.405 120.844 120.400 0.066 0.000 2.103 257 K HA -0.086 4.259 4.320 0.042 0.000 0.204 257 K C 1.994 178.641 176.600 0.078 0.000 1.052 257 K CA 0.231 56.588 56.287 0.116 0.000 0.945 257 K CB -0.591 32.019 32.500 0.184 0.000 0.722 257 K HN 0.152 nan 8.250 nan 0.000 0.443 258 F N 0.959 120.804 119.950 -0.175 0.000 2.075 258 F HA -0.179 4.367 4.527 0.033 0.000 0.297 258 F C 1.893 177.713 175.800 0.034 0.000 1.113 258 F CA 1.164 58.874 58.000 -0.483 0.000 1.218 258 F CB -0.717 38.036 39.000 -0.413 0.000 0.984 258 F HN -0.119 nan 8.300 nan 0.000 0.472 259 F N 1.253 120.966 119.950 -0.396 0.000 2.091 259 F HA -0.180 4.369 4.527 0.037 0.000 0.299 259 F C 2.599 178.284 175.800 -0.192 0.000 1.103 259 F CA 1.798 59.587 58.000 -0.351 0.000 1.228 259 F CB -1.185 37.727 39.000 -0.148 0.000 0.984 259 F HN 0.019 nan 8.300 nan 0.000 0.477 260 K N -0.343 120.109 120.400 0.087 0.000 2.155 260 K HA -0.132 4.213 4.320 0.042 0.000 0.203 260 K C 1.582 178.194 176.600 0.020 0.000 1.052 260 K CA 1.234 57.549 56.287 0.046 0.000 0.948 260 K CB -0.064 32.471 32.500 0.058 0.000 0.728 260 K HN 0.087 nan 8.250 nan 0.000 0.448 261 D N -0.256 120.154 120.400 0.016 0.000 2.194 261 D HA -0.109 4.556 4.640 0.042 0.000 0.204 261 D C 1.413 177.727 176.300 0.023 0.000 0.964 261 D CA 0.603 54.630 54.000 0.045 0.000 0.846 261 D CB -0.042 40.829 40.800 0.118 0.000 0.962 261 D HN 0.102 nan 8.370 nan 0.000 0.490 262 F N 1.227 121.058 119.950 -0.198 0.000 2.113 262 F HA -0.166 4.398 4.527 0.061 0.000 0.297 262 F C 2.401 178.138 175.800 -0.106 0.000 1.103 262 F CA 1.135 59.020 58.000 -0.191 0.000 1.248 262 F CB -0.085 38.629 39.000 -0.476 0.000 0.999 262 F HN -0.188 nan 8.300 nan 0.000 0.475 263 S N 0.612 116.271 115.700 -0.069 0.000 2.370 263 S HA -0.263 4.232 4.470 0.042 0.000 0.226 263 S C 1.812 176.370 174.600 -0.070 0.000 1.033 263 S CA 1.934 60.091 58.200 -0.072 0.000 1.011 263 S CB -0.397 62.778 63.200 -0.042 0.000 0.852 263 S HN 0.553 nan 8.310 nan 0.000 0.457 264 K N 1.690 122.053 120.400 -0.061 0.000 2.103 264 K HA 0.204 4.549 4.320 0.042 0.000 0.204 264 K C 2.090 178.649 176.600 -0.069 0.000 1.052 264 K CA 1.204 57.460 56.287 -0.052 0.000 0.945 264 K CB -0.478 32.007 32.500 -0.026 0.000 0.722 264 K HN 0.225 nan 8.250 nan 0.000 0.443 265 A N 0.621 123.386 122.820 -0.092 0.000 1.930 265 A HA -0.037 4.308 4.320 0.042 0.000 0.217 265 A C 1.969 179.477 177.584 -0.126 0.000 1.175 265 A CA 0.963 52.942 52.037 -0.096 0.000 0.627 265 A CB -0.692 18.252 19.000 -0.093 0.000 0.815 265 A HN 0.411 nan 8.150 nan 0.000 0.443 266 F N 0.453 120.145 119.950 -0.430 0.000 2.234 266 F HA -0.005 4.540 4.527 0.030 0.000 0.296 266 F C 2.189 177.885 175.800 -0.174 0.000 1.089 266 F CA 1.612 59.367 58.000 -0.408 0.000 1.343 266 F CB -0.119 38.450 39.000 -0.717 0.000 1.040 266 F HN 0.423 nan 8.300 nan 0.000 0.498 267 E N 0.228 120.378 120.200 -0.083 0.000 2.072 267 E HA -0.262 4.113 4.350 0.042 0.000 0.191 267 E C 2.300 178.810 176.600 -0.149 0.000 0.985 267 E CA 1.204 57.544 56.400 -0.100 0.000 0.801 267 E CB -0.178 29.481 29.700 -0.068 0.000 0.750 267 E HN 0.358 nan 8.360 nan 0.000 0.452 268 K N 0.255 120.577 120.400 -0.129 0.000 2.097 268 K HA -0.167 4.178 4.320 0.042 0.000 0.206 268 K C 2.290 178.799 176.600 -0.151 0.000 1.049 268 K CA 0.970 57.185 56.287 -0.118 0.000 0.933 268 K CB -0.108 32.350 32.500 -0.069 0.000 0.717 268 K HN 0.136 nan 8.250 nan 0.000 0.442 269 L N 1.003 122.132 121.223 -0.156 0.000 2.046 269 L HA -0.150 4.215 4.340 0.042 0.000 0.208 269 L C 1.848 178.603 176.870 -0.191 0.000 1.077 269 L CA 1.416 56.179 54.840 -0.128 0.000 0.747 269 L CB -0.336 41.657 42.059 -0.110 0.000 0.896 269 L HN 0.147 nan 8.230 nan 0.000 0.432 270 L N -0.658 120.398 121.223 -0.278 0.000 2.217 270 L HA -0.079 4.286 4.340 0.042 0.000 0.211 270 L C 2.288 179.084 176.870 -0.122 0.000 1.107 270 L CA 1.430 56.151 54.840 -0.197 0.000 0.783 270 L CB -0.797 41.137 42.059 -0.208 0.000 0.919 270 L HN 0.376 nan 8.230 nan 0.000 0.442 271 E N -1.321 118.794 120.200 -0.141 0.000 2.472 271 E HA 0.029 4.404 4.350 0.042 0.000 0.196 271 E C 0.106 176.580 176.600 -0.210 0.000 1.033 271 E CA -0.332 56.028 56.400 -0.068 0.000 0.886 271 E CB 0.152 29.859 29.700 0.012 0.000 0.944 271 E HN 0.351 nan 8.360 nan 0.000 0.492 272 N N 0.924 119.368 118.700 -0.428 0.000 2.411 272 N HA -0.023 4.742 4.740 0.042 0.000 0.265 272 N C 0.825 175.639 175.510 -1.160 0.000 1.266 272 N CA 1.281 53.753 53.050 -0.962 0.000 0.889 272 N CB 1.007 38.729 38.487 -1.276 0.000 1.069 272 N HN 0.340 nan 8.380 nan 0.000 0.476 273 G N 1.712 109.952 108.800 -0.933 0.000 2.175 273 G HA2 -0.247 3.738 3.960 0.042 0.000 0.244 273 G HA3 -0.247 3.738 3.960 0.042 0.000 0.244 273 G C 0.058 174.855 174.900 -0.170 0.000 0.982 273 G CA -0.202 44.709 45.100 -0.314 0.000 0.641 273 G HN 0.540 nan 8.290 nan 0.000 0.527 274 I N 1.451 121.858 120.570 -0.272 0.000 2.412 274 I HA 0.473 4.668 4.170 0.042 0.000 0.296 274 I C 0.005 175.852 176.117 -0.451 0.000 0.987 274 I CA -0.693 60.370 61.300 -0.396 0.000 1.180 274 I CB 2.057 39.739 38.000 -0.530 0.000 1.340 274 I HN -0.026 nan 8.210 nan 0.000 0.455 275 T N 6.002 120.286 114.554 -0.450 0.000 2.770 275 T HA 0.468 4.843 4.350 0.042 0.000 0.297 275 T C -0.490 173.978 174.700 -0.386 0.000 0.997 275 T CA -0.299 61.625 62.100 -0.294 0.000 0.949 275 T CB 0.091 68.860 68.868 -0.165 0.000 0.941 275 T HN 0.104 nan 8.240 nan 0.000 0.457 276 F N 4.065 123.972 119.950 -0.072 0.000 2.411 276 F HA 0.413 4.961 4.527 0.036 0.000 0.355 276 F C -1.599 174.164 175.800 -0.063 0.000 1.117 276 F CA -2.285 55.667 58.000 -0.079 0.000 1.139 276 F CB 0.301 39.226 39.000 -0.124 0.000 1.120 276 F HN 0.363 nan 8.300 nan 0.000 0.493 277 P HA 0.146 nan 4.420 nan 0.000 0.274 277 P C 0.279 177.608 177.300 0.048 0.000 1.260 277 P CA -0.385 62.745 63.100 0.050 0.000 0.793 277 P CB 0.869 32.590 31.700 0.035 0.000 1.048 278 K N 0.387 120.801 120.400 0.023 0.000 2.155 278 K HA -0.110 4.235 4.320 0.042 0.000 0.203 278 K C 1.264 177.866 176.600 0.003 0.000 1.052 278 K CA 1.724 58.016 56.287 0.008 0.000 0.948 278 K CB -0.706 31.795 32.500 0.003 0.000 0.728 278 K HN 0.603 nan 8.250 nan 0.000 0.448 279 D N -0.309 120.098 120.400 0.012 0.000 2.317 279 D HA 0.008 4.673 4.640 0.042 0.000 0.211 279 D C 0.276 176.583 176.300 0.013 0.000 0.966 279 D CA 0.125 54.133 54.000 0.012 0.000 0.876 279 D CB 0.001 40.812 40.800 0.018 0.000 0.927 279 D HN 0.073 nan 8.370 nan 0.000 0.519 280 A N 1.705 124.536 122.820 0.017 0.000 2.498 280 A HA 0.314 4.659 4.320 0.042 0.000 0.239 280 A C -1.618 175.936 177.584 -0.050 0.000 1.068 280 A CA -1.030 51.013 52.037 0.010 0.000 0.766 280 A CB -0.193 18.843 19.000 0.060 0.000 1.003 280 A HN 0.224 nan 8.150 nan 0.000 0.497 281 P HA 0.122 nan 4.420 nan 0.000 0.269 281 P C -0.196 176.951 177.300 -0.257 0.000 1.215 281 P CA -0.160 62.874 63.100 -0.111 0.000 0.780 281 P CB 0.517 32.194 31.700 -0.037 0.000 0.898 282 S N 2.629 118.204 115.700 -0.208 0.000 2.576 282 S HA 0.224 4.719 4.470 0.042 0.000 0.276 282 S C -1.891 172.476 174.600 -0.388 0.000 1.339 282 S CA -0.737 57.308 58.200 -0.258 0.000 1.039 282 S CB -0.497 62.611 63.200 -0.154 0.000 0.902 282 S HN 0.467 nan 8.310 nan 0.000 0.516 283 P HA -0.071 nan 4.420 nan 0.000 0.265 283 P C -0.920 176.207 177.300 -0.288 0.000 1.167 283 P CA 0.315 63.117 63.100 -0.497 0.000 0.760 283 P CB 0.086 31.568 31.700 -0.363 0.000 0.783 284 F N 2.159 121.984 119.950 -0.209 0.000 2.404 284 F HA 0.397 4.951 4.527 0.045 0.000 0.345 284 F C 1.069 176.616 175.800 -0.423 0.000 1.110 284 F CA -0.931 56.902 58.000 -0.278 0.000 1.130 284 F CB 0.356 39.065 39.000 -0.485 0.000 1.129 284 F HN 0.108 nan 8.300 nan 0.000 0.500 285 I N 4.716 125.229 120.570 -0.095 0.000 2.354 285 I HA 0.255 4.450 4.170 0.042 0.000 0.286 285 I C -0.812 175.224 176.117 -0.135 0.000 1.007 285 I CA -0.518 60.706 61.300 -0.127 0.000 1.167 285 I CB 0.656 38.634 38.000 -0.037 0.000 1.320 285 I HN 0.287 nan 8.210 nan 0.000 0.458 286 F N 5.210 125.126 119.950 -0.057 0.000 2.375 286 F HA 0.346 4.898 4.527 0.042 0.000 0.333 286 F C 0.859 176.442 175.800 -0.362 0.000 1.104 286 F CA -0.627 57.147 58.000 -0.377 0.000 1.149 286 F CB 0.554 38.923 39.000 -1.052 0.000 1.190 286 F HN 0.230 nan 8.300 nan 0.000 0.533 287 K N 1.567 121.931 120.400 -0.060 0.000 2.297 287 K HA 0.217 4.562 4.320 0.042 0.000 0.286 287 K C 0.243 176.845 176.600 0.002 0.000 1.053 287 K CA -0.379 55.908 56.287 0.000 0.000 0.940 287 K CB 0.776 33.322 32.500 0.077 0.000 1.019 287 K HN 0.813 nan 8.250 nan 0.000 0.475 288 T N 0.052 114.677 114.554 0.119 0.000 2.766 288 T HA 0.052 4.427 4.350 0.042 0.000 0.295 288 T C 1.339 176.164 174.700 0.208 0.000 1.024 288 T CA -0.720 61.540 62.100 0.266 0.000 1.018 288 T CB 0.511 69.495 68.868 0.194 0.000 1.002 288 T HN 0.294 nan 8.240 nan 0.000 0.532 289 L N 0.790 122.128 121.223 0.191 0.000 2.093 289 L HA 0.057 4.422 4.340 0.042 0.000 0.208 289 L C 2.849 179.774 176.870 0.091 0.000 1.085 289 L CA 2.039 56.951 54.840 0.120 0.000 0.755 289 L CB -1.221 40.887 42.059 0.082 0.000 0.904 289 L HN 1.003 nan 8.230 nan 0.000 0.435 290 E N -0.327 119.926 120.200 0.088 0.000 2.150 290 E HA -0.236 4.139 4.350 0.042 0.000 0.193 290 E C 1.730 178.371 176.600 0.068 0.000 0.985 290 E CA 1.348 57.791 56.400 0.071 0.000 0.814 290 E CB -0.116 29.625 29.700 0.070 0.000 0.752 290 E HN 0.560 nan 8.360 nan 0.000 0.466 291 E N -0.062 120.184 120.200 0.077 0.000 2.427 291 E HA -0.086 4.289 4.350 0.042 0.000 0.196 291 E C 1.375 178.013 176.600 0.063 0.000 1.028 291 E CA 0.539 56.980 56.400 0.067 0.000 0.864 291 E CB 0.200 29.942 29.700 0.070 0.000 0.813 291 E HN 0.408 nan 8.360 nan 0.000 0.514 292 Q N -0.877 118.965 119.800 0.069 0.000 2.247 292 Q HA 0.155 4.520 4.340 0.042 0.000 0.204 292 Q C 0.730 176.762 176.000 0.052 0.000 0.872 292 Q CA 0.303 56.143 55.803 0.062 0.000 0.951 292 Q CB 1.277 30.058 28.738 0.072 0.000 1.099 292 Q HN 0.332 nan 8.270 nan 0.000 0.501 293 G N 0.623 109.453 108.800 0.050 0.000 2.157 293 G HA2 -0.254 3.731 3.960 0.042 0.000 0.248 293 G HA3 -0.254 3.731 3.960 0.042 0.000 0.248 293 G C 0.111 175.036 174.900 0.042 0.000 0.979 293 G CA -0.028 45.097 45.100 0.042 0.000 0.650 293 G HN 0.239 nan 8.290 nan 0.000 0.529 294 L N 0.000 121.252 121.223 0.048 0.000 2.949 294 L HA 0.000 4.365 4.340 0.042 0.000 0.249 294 L CA 0.000 54.867 54.840 0.045 0.000 0.813 294 L CB 0.000 42.087 42.059 0.046 0.000 0.961 294 L HN 0.000 nan 8.230 nan 0.000 0.502