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 2b0z_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 0.000 174.682 174.700 -0.030 0.000 1.109 1 T CA 0.000 62.085 62.100 -0.024 0.000 1.349 1 T CB 0.000 68.854 68.868 -0.023 0.000 0.612 2 T N 4.527 119.062 114.554 -0.032 0.000 1.922 2 T HA -0.012 4.338 4.350 0.001 0.000 0.486 2 T C -1.679 172.992 174.700 -0.050 0.000 0.980 2 T CA 0.921 62.998 62.100 -0.038 0.000 2.498 2 T CB 0.079 68.924 68.868 -0.038 0.000 1.501 2 T HN 0.573 nan 8.240 nan 0.000 0.381 3 P HA 0.249 nan 4.420 nan 0.000 0.310 3 P C -0.051 177.181 177.300 -0.113 0.000 1.309 3 P CA -0.381 62.676 63.100 -0.073 0.000 0.753 3 P CB 0.400 32.059 31.700 -0.069 0.000 1.491 4 L N 0.062 121.182 121.223 -0.172 0.000 2.275 4 L HA 0.225 4.565 4.340 0.001 0.000 0.288 4 L C -0.024 176.578 176.870 -0.448 0.000 1.046 4 L CA -0.930 53.714 54.840 -0.326 0.000 0.805 4 L CB 1.365 43.157 42.059 -0.444 0.000 1.193 4 L HN 0.079 nan 8.230 nan 0.000 0.426 5 V N 0.908 120.610 119.914 -0.354 0.000 2.385 5 V HA 0.301 4.422 4.120 0.001 0.000 0.269 5 V C -0.123 175.727 176.094 -0.408 0.000 1.043 5 V CA -0.495 61.625 62.300 -0.301 0.000 0.906 5 V CB 0.590 32.314 31.823 -0.165 0.000 0.995 5 V HN 0.545 nan 8.190 nan 0.000 0.467 6 H N 4.131 122.992 119.070 -0.349 0.000 2.724 6 H HA 0.379 4.936 4.556 0.001 0.000 0.278 6 H C -0.011 174.957 175.328 -0.600 0.000 1.159 6 H CA -0.244 55.390 56.048 -0.691 0.000 1.254 6 H CB 1.605 30.619 29.762 -1.245 0.000 1.412 6 H HN 0.694 nan 8.280 nan 0.000 0.488 7 V N 3.140 122.945 119.914 -0.182 0.000 2.508 7 V HA 0.382 4.503 4.120 0.001 0.000 0.281 7 V C 0.313 176.452 176.094 0.076 0.000 1.041 7 V CA -0.599 61.657 62.300 -0.074 0.000 1.016 7 V CB 0.298 32.111 31.823 -0.016 0.000 0.984 7 V HN 0.830 nan 8.190 nan 0.000 0.478 8 A N 5.542 128.372 122.820 0.017 0.000 2.404 8 A HA 0.590 4.910 4.320 0.001 0.000 0.273 8 A C 0.364 178.032 177.584 0.139 0.000 1.144 8 A CA 0.065 52.175 52.037 0.121 0.000 0.806 8 A CB 0.186 19.155 19.000 -0.051 0.000 1.080 8 A HN 0.920 nan 8.150 nan 0.000 0.509 9 S N 1.783 117.574 115.700 0.151 0.000 2.596 9 S HA 0.404 4.875 4.470 0.001 0.000 0.318 9 S C -0.042 174.647 174.600 0.149 0.000 1.097 9 S CA -0.526 57.754 58.200 0.134 0.000 1.080 9 S CB 1.208 64.482 63.200 0.123 0.000 0.991 9 S HN 0.591 nan 8.310 nan 0.000 0.471 10 V N 3.861 123.879 119.914 0.173 0.000 2.673 10 V HA 0.048 4.169 4.120 0.001 0.000 0.303 10 V C 0.499 176.741 176.094 0.247 0.000 1.046 10 V CA -0.146 62.302 62.300 0.246 0.000 1.126 10 V CB 0.166 32.141 31.823 0.253 0.000 0.934 10 V HN 0.755 nan 8.190 nan 0.000 0.487 11 E N 3.123 123.532 120.200 0.348 0.000 2.417 11 E HA 0.110 4.460 4.350 0.001 0.000 0.261 11 E C 0.274 176.972 176.600 0.165 0.000 1.000 11 E CA -0.317 56.262 56.400 0.299 0.000 0.919 11 E CB 0.123 30.113 29.700 0.484 0.000 0.955 11 E HN 0.561 nan 8.360 nan 0.000 0.455 12 K N 2.999 123.464 120.400 0.108 0.000 2.289 12 K HA -0.192 4.129 4.320 0.001 0.000 0.251 12 K C 0.683 177.260 176.600 -0.039 0.000 1.307 12 K CA 1.219 57.529 56.287 0.038 0.000 1.290 12 K CB -1.142 31.381 32.500 0.039 0.000 0.757 12 K HN 0.734 nan 8.250 nan 0.000 0.513 13 G N 3.280 112.066 108.800 -0.022 0.000 2.160 13 G HA2 -0.272 3.689 3.960 0.001 0.000 0.251 13 G HA3 -0.272 3.689 3.960 0.001 0.000 0.251 13 G C -0.345 174.482 174.900 -0.122 0.000 1.008 13 G CA 0.306 45.368 45.100 -0.063 0.000 0.724 13 G HN 0.629 nan 8.290 nan 0.000 0.514 14 R N -0.093 120.346 120.500 -0.102 0.000 2.787 14 R HA 0.857 5.198 4.340 0.001 0.000 0.271 14 R C 0.446 176.763 176.300 0.028 0.000 0.993 14 R CA 0.176 56.164 56.100 -0.186 0.000 0.993 14 R CB 1.826 31.888 30.300 -0.397 0.000 1.155 14 R HN 0.745 nan 8.270 nan 0.000 0.486 15 S N -0.534 115.160 115.700 -0.010 0.000 2.973 15 S HA 0.180 4.650 4.470 0.001 0.000 0.317 15 S C 0.886 175.508 174.600 0.037 0.000 1.196 15 S CA -0.748 57.547 58.200 0.159 0.000 0.894 15 S CB 0.401 63.685 63.200 0.140 0.000 1.292 15 S HN 0.697 nan 8.310 nan 0.000 0.614 16 Y N 1.437 121.598 120.300 -0.231 0.000 1.977 16 Y HA -0.266 4.284 4.550 0.001 0.000 0.264 16 Y C 2.395 178.233 175.900 -0.103 0.000 1.167 16 Y CA 2.618 60.459 58.100 -0.432 0.000 1.102 16 Y CB -0.543 37.770 38.460 -0.245 0.000 0.948 16 Y HN 0.814 nan 8.280 nan 0.000 0.489 17 E N 0.263 120.291 120.200 -0.286 0.000 2.331 17 E HA -0.199 4.152 4.350 0.001 0.000 0.199 17 E C 1.649 178.133 176.600 -0.193 0.000 1.008 17 E CA 1.345 57.559 56.400 -0.310 0.000 0.843 17 E CB -0.117 29.491 29.700 -0.153 0.000 0.761 17 E HN 0.576 nan 8.360 nan 0.000 0.507 18 D N -0.878 119.412 120.400 -0.183 0.000 2.137 18 D HA -0.097 4.544 4.640 0.001 0.000 0.202 18 D C 1.285 177.505 176.300 -0.134 0.000 0.970 18 D CA 0.803 54.697 54.000 -0.176 0.000 0.837 18 D CB 0.015 40.562 40.800 -0.422 0.000 0.981 18 D HN 0.236 nan 8.370 nan 0.000 0.475 19 F N 1.023 120.983 119.950 0.016 0.000 2.293 19 F HA -0.033 4.495 4.527 0.001 0.000 0.297 19 F C 2.568 178.147 175.800 -0.369 0.000 1.089 19 F CA 0.443 58.410 58.000 -0.054 0.000 1.377 19 F CB -0.421 38.724 39.000 0.241 0.000 1.051 19 F HN -0.139 nan 8.300 nan 0.000 0.511 20 Q N 0.985 120.685 119.800 -0.167 0.000 2.167 20 Q HA -0.154 4.187 4.340 0.001 0.000 0.202 20 Q C 1.747 177.596 176.000 -0.252 0.000 0.970 20 Q CA 1.708 57.307 55.803 -0.341 0.000 0.855 20 Q CB -0.185 28.303 28.738 -0.415 0.000 0.911 20 Q HN 0.249 nan 8.270 nan 0.000 0.438 21 K N -1.196 119.096 120.400 -0.180 0.000 2.366 21 K HA 0.039 4.360 4.320 0.001 0.000 0.198 21 K C 1.600 178.085 176.600 -0.192 0.000 1.044 21 K CA 0.692 56.931 56.287 -0.080 0.000 0.973 21 K CB 0.396 32.925 32.500 0.049 0.000 0.767 21 K HN 0.054 nan 8.250 nan 0.000 0.475 22 V N 0.183 119.809 119.914 -0.481 0.000 2.649 22 V HA -0.183 3.938 4.120 0.001 0.000 0.248 22 V C 1.776 177.594 176.094 -0.460 0.000 1.054 22 V CA 1.112 62.908 62.300 -0.840 0.000 1.073 22 V CB -0.427 30.873 31.823 -0.872 0.000 0.699 22 V HN 0.266 nan 8.190 nan 0.000 0.463 23 Y N 2.435 122.401 120.300 -0.556 0.000 2.089 23 Y HA -0.223 4.327 4.550 0.001 0.000 0.282 23 Y C 2.426 178.157 175.900 -0.281 0.000 1.139 23 Y CA 2.059 59.852 58.100 -0.511 0.000 1.123 23 Y CB -0.458 37.565 38.460 -0.727 0.000 0.980 23 Y HN 0.275 nan 8.280 nan 0.000 0.493 24 N N 0.483 119.252 118.700 0.115 0.000 2.348 24 N HA -0.153 4.588 4.740 0.001 0.000 0.185 24 N C 1.724 177.246 175.510 0.020 0.000 1.019 24 N CA 1.239 54.351 53.050 0.104 0.000 0.880 24 N CB -0.561 37.972 38.487 0.077 0.000 0.965 24 N HN 0.570 nan 8.380 nan 0.000 0.437 25 A N 0.383 123.195 122.820 -0.013 0.000 1.935 25 A HA 0.115 4.436 4.320 0.001 0.000 0.214 25 A C 2.171 179.716 177.584 -0.065 0.000 1.178 25 A CA 0.413 52.459 52.037 0.016 0.000 0.640 25 A CB -0.249 18.856 19.000 0.175 0.000 0.825 25 A HN 0.179 nan 8.150 nan 0.000 0.447 26 I N -0.265 120.231 120.570 -0.124 0.000 2.500 26 I HA -0.143 4.027 4.170 0.001 0.000 0.252 26 I C 2.776 178.873 176.117 -0.034 0.000 1.142 26 I CA 0.875 62.118 61.300 -0.095 0.000 1.451 26 I CB -0.193 37.723 38.000 -0.141 0.000 1.093 26 I HN 0.315 nan 8.210 nan 0.000 0.430 27 A N 0.684 123.426 122.820 -0.129 0.000 1.968 27 A HA -0.094 4.227 4.320 0.001 0.000 0.217 27 A C 2.184 179.773 177.584 0.009 0.000 1.169 27 A CA 1.040 53.020 52.037 -0.094 0.000 0.638 27 A CB -0.431 18.493 19.000 -0.126 0.000 0.812 27 A HN 0.279 nan 8.150 nan 0.000 0.446 28 L N -0.269 120.961 121.223 0.012 0.000 2.109 28 L HA 0.024 4.364 4.340 0.001 0.000 0.207 28 L C 2.144 179.033 176.870 0.033 0.000 1.086 28 L CA 2.089 56.944 54.840 0.026 0.000 0.760 28 L CB -0.775 41.293 42.059 0.014 0.000 0.910 28 L HN 0.490 nan 8.230 nan 0.000 0.437 29 K N -1.202 119.208 120.400 0.017 0.000 2.365 29 K HA -0.028 4.293 4.320 0.001 0.000 0.197 29 K C 2.066 178.802 176.600 0.227 0.000 1.042 29 K CA 0.364 56.658 56.287 0.011 0.000 0.987 29 K CB 0.220 32.563 32.500 -0.262 0.000 0.779 29 K HN 0.238 nan 8.250 nan 0.000 0.484 30 L N 0.796 122.171 121.223 0.252 0.000 2.131 30 L HA -0.102 4.238 4.340 0.001 0.000 0.206 30 L C 2.470 179.439 176.870 0.165 0.000 1.087 30 L CA 1.268 56.247 54.840 0.233 0.000 0.767 30 L CB -0.146 41.977 42.059 0.106 0.000 0.917 30 L HN 0.257 nan 8.230 nan 0.000 0.441 31 R N -0.032 120.541 120.500 0.122 0.000 2.173 31 R HA -0.124 4.217 4.340 0.001 0.000 0.208 31 R C 1.914 178.282 176.300 0.114 0.000 1.035 31 R CA 1.181 57.345 56.100 0.107 0.000 1.004 31 R CB -0.365 29.984 30.300 0.082 0.000 0.917 31 R HN 0.425 nan 8.270 nan 0.000 0.462 32 E N 0.265 120.531 120.200 0.110 0.000 2.299 32 E HA -0.085 4.265 4.350 0.001 0.000 0.193 32 E C 0.029 176.700 176.600 0.117 0.000 0.998 32 E CA 0.662 57.120 56.400 0.097 0.000 0.851 32 E CB 0.195 29.933 29.700 0.062 0.000 0.795 32 E HN 0.276 nan 8.360 nan 0.000 0.492 33 D N 1.333 121.834 120.400 0.168 0.000 2.772 33 D HA 0.055 4.695 4.640 0.001 0.000 0.272 33 D C -0.539 175.906 176.300 0.243 0.000 1.314 33 D CA -0.047 54.080 54.000 0.211 0.000 0.835 33 D CB 0.342 41.307 40.800 0.275 0.000 1.080 33 D HN 0.082 nan 8.370 nan 0.000 0.482 34 D N 0.847 121.351 120.400 0.172 0.000 3.008 34 D HA 0.023 4.663 4.640 0.001 0.000 0.242 34 D C 0.791 177.105 176.300 0.023 0.000 1.222 34 D CA 0.221 54.303 54.000 0.136 0.000 0.883 34 D CB 0.386 41.279 40.800 0.154 0.000 1.110 34 D HN 0.244 nan 8.370 nan 0.000 0.455 35 E N -0.734 119.400 120.200 -0.111 0.000 2.330 35 E HA -0.010 4.341 4.350 0.001 0.000 0.200 35 E C 0.226 176.517 176.600 -0.514 0.000 0.922 35 E CA -0.366 55.698 56.400 -0.560 0.000 0.935 35 E CB 0.320 29.826 29.700 -0.323 0.000 0.917 35 E HN 0.315 nan 8.360 nan 0.000 0.491 36 Y N 2.641 122.715 120.300 -0.377 0.000 2.987 36 Y HA -0.238 4.313 4.550 0.001 0.000 0.339 36 Y C 0.376 176.084 175.900 -0.319 0.000 1.272 36 Y CA 0.797 58.649 58.100 -0.413 0.000 1.562 36 Y CB 0.247 38.262 38.460 -0.742 0.000 1.253 36 Y HN 0.105 nan 8.280 nan 0.000 0.604 37 D N 4.658 124.506 120.400 -0.921 0.000 2.697 37 D HA -0.332 4.309 4.640 0.001 0.000 0.235 37 D C -0.536 175.600 176.300 -0.272 0.000 1.167 37 D CA 1.748 55.364 54.000 -0.640 0.000 0.656 37 D CB -1.689 38.637 40.800 -0.789 0.000 1.025 37 D HN 0.871 nan 8.370 nan 0.000 0.419 38 N N -0.233 118.340 118.700 -0.212 0.000 2.708 38 N HA -0.289 4.452 4.740 0.001 0.000 0.255 38 N C -0.230 175.358 175.510 0.131 0.000 1.046 38 N CA 0.581 53.619 53.050 -0.021 0.000 0.715 38 N CB -1.608 36.900 38.487 0.035 0.000 0.895 38 N HN 0.485 nan 8.380 nan 0.000 0.545 39 Y N -3.849 116.433 120.300 -0.030 0.000 4.668 39 Y HA -0.321 4.229 4.550 0.001 0.000 0.234 39 Y C 1.356 177.264 175.900 0.014 0.000 1.056 39 Y CA 0.885 58.988 58.100 0.006 0.000 2.025 39 Y CB -2.062 36.407 38.460 0.016 0.000 1.613 39 Y HN 0.531 nan 8.280 nan 0.000 0.653 40 I N -0.473 120.134 120.570 0.061 0.000 2.333 40 I HA 0.140 4.310 4.170 0.001 0.000 0.246 40 I C 1.714 177.873 176.117 0.071 0.000 1.106 40 I CA 1.237 62.572 61.300 0.060 0.000 1.411 40 I CB -0.311 37.703 38.000 0.023 0.000 1.082 40 I HN 0.510 nan 8.210 nan 0.000 0.420 41 G N -0.409 108.425 108.800 0.056 0.000 2.712 41 G HA2 -0.273 3.688 3.960 0.001 0.000 0.683 41 G HA3 -0.273 3.688 3.960 0.001 0.000 0.683 41 G C -0.239 174.742 174.900 0.136 0.000 1.320 41 G CA -0.392 44.770 45.100 0.103 0.000 0.847 41 G HN 0.134 nan 8.290 nan 0.000 0.553 42 Y N 1.534 121.823 120.300 -0.019 0.000 2.583 42 Y HA 0.174 4.725 4.550 0.001 0.000 0.293 42 Y C 2.811 178.536 175.900 -0.291 0.000 1.157 42 Y CA 1.549 59.464 58.100 -0.308 0.000 1.315 42 Y CB 0.046 37.915 38.460 -0.985 0.000 1.021 42 Y HN 0.802 nan 8.280 nan 0.000 0.536 43 G N 1.469 110.260 108.800 -0.015 0.000 2.514 43 G HA2 -0.260 3.701 3.960 0.001 0.000 0.217 43 G HA3 -0.260 3.701 3.960 0.001 0.000 0.217 43 G C -0.605 174.301 174.900 0.010 0.000 1.198 43 G CA 0.975 46.059 45.100 -0.027 0.000 0.780 43 G HN 0.277 nan 8.290 nan 0.000 0.565 44 P HA -0.030 nan 4.420 nan 0.000 0.216 44 P C 2.008 179.376 177.300 0.114 0.000 1.150 44 P CA 0.532 63.687 63.100 0.091 0.000 0.837 44 P CB -0.049 31.721 31.700 0.117 0.000 0.786 45 V N -0.735 119.246 119.914 0.112 0.000 2.970 45 V HA -0.109 4.012 4.120 0.001 0.000 0.260 45 V C 1.954 178.081 176.094 0.055 0.000 1.100 45 V CA 1.221 63.586 62.300 0.107 0.000 1.122 45 V CB -0.904 31.003 31.823 0.141 0.000 0.721 45 V HN 0.063 nan 8.190 nan 0.000 0.483 46 L N -0.594 120.642 121.223 0.021 0.000 2.179 46 L HA -0.027 4.313 4.340 0.001 0.000 0.208 46 L C 2.568 179.498 176.870 0.100 0.000 1.096 46 L CA 1.602 56.448 54.840 0.010 0.000 0.779 46 L CB -0.488 41.534 42.059 -0.062 0.000 0.922 46 L HN 0.423 nan 8.230 nan 0.000 0.443 47 V N -0.898 119.098 119.914 0.137 0.000 2.591 47 V HA -0.161 3.959 4.120 0.001 0.000 0.249 47 V C 2.505 178.820 176.094 0.368 0.000 1.053 47 V CA 1.267 63.719 62.300 0.253 0.000 1.068 47 V CB -0.427 31.464 31.823 0.114 0.000 0.689 47 V HN 0.413 nan 8.190 nan 0.000 0.462 48 R N -0.628 120.051 120.500 0.298 0.000 2.148 48 R HA 0.015 4.356 4.340 0.001 0.000 0.227 48 R C 2.281 178.779 176.300 0.330 0.000 1.103 48 R CA 1.563 57.916 56.100 0.422 0.000 0.983 48 R CB -0.193 30.274 30.300 0.279 0.000 0.874 48 R HN 0.592 nan 8.270 nan 0.000 0.451 49 L N 0.194 121.482 121.223 0.109 0.000 2.131 49 L HA 0.014 4.355 4.340 0.001 0.000 0.206 49 L C 2.056 178.921 176.870 -0.008 0.000 1.087 49 L CA 1.490 56.265 54.840 -0.109 0.000 0.767 49 L CB -0.549 41.383 42.059 -0.211 0.000 0.917 49 L HN 0.251 nan 8.230 nan 0.000 0.441 50 A N -0.673 122.251 122.820 0.173 0.000 2.119 50 A HA -0.232 4.088 4.320 0.001 0.000 0.217 50 A C 2.057 179.797 177.584 0.260 0.000 1.153 50 A CA 1.036 53.199 52.037 0.210 0.000 0.692 50 A CB -0.722 18.456 19.000 0.296 0.000 0.799 50 A HN 0.806 nan 8.150 nan 0.000 0.458 51 W N -0.678 120.735 121.300 0.188 0.000 2.574 51 W HA -0.024 4.636 4.660 0.001 0.000 0.282 51 W C 1.290 177.874 176.519 0.108 0.000 1.197 51 W CA 1.136 58.589 57.345 0.179 0.000 1.376 51 W CB -0.276 29.359 29.460 0.292 0.000 1.091 51 W HN 0.470 nan 8.180 nan 0.000 0.569 52 H N 0.981 119.856 119.070 -0.325 0.000 2.524 52 H HA -0.075 4.482 4.556 0.001 0.000 0.282 52 H C 2.406 177.563 175.328 -0.285 0.000 1.016 52 H CA 2.518 58.266 56.048 -0.501 0.000 1.270 52 H CB -0.059 29.481 29.762 -0.371 0.000 1.394 52 H HN 0.132 nan 8.280 nan 0.000 0.568 53 T N -4.477 110.028 114.554 -0.082 0.000 3.051 53 T HA 0.084 4.434 4.350 0.001 0.000 0.255 53 T C 1.968 176.688 174.700 0.033 0.000 1.085 53 T CA 0.665 62.761 62.100 -0.006 0.000 1.109 53 T CB 0.120 69.007 68.868 0.031 0.000 0.921 53 T HN 0.073 nan 8.240 nan 0.000 0.488 54 S N 0.935 116.642 115.700 0.010 0.000 2.483 54 S HA 0.282 4.753 4.470 0.001 0.000 0.221 54 S C 2.044 176.680 174.600 0.059 0.000 1.030 54 S CA 0.339 58.560 58.200 0.035 0.000 0.925 54 S CB -0.219 63.006 63.200 0.042 0.000 0.795 54 S HN 0.689 nan 8.310 nan 0.000 0.511 55 G N 1.903 110.651 108.800 -0.085 0.000 3.124 55 G HA2 0.015 3.976 3.960 0.001 0.000 0.212 55 G HA3 0.015 3.976 3.960 0.001 0.000 0.212 55 G C 0.966 175.831 174.900 -0.058 0.000 1.181 55 G CA 0.858 45.870 45.100 -0.146 0.000 0.803 55 G HN 0.560 nan 8.290 nan 0.000 0.529 56 T N -3.911 110.655 114.554 0.020 0.000 3.163 56 T HA 0.128 4.479 4.350 0.001 0.000 0.252 56 T C 0.257 175.052 174.700 0.158 0.000 1.056 56 T CA -0.856 61.286 62.100 0.069 0.000 0.947 56 T CB -0.030 68.884 68.868 0.076 0.000 1.016 56 T HN 0.203 nan 8.240 nan 0.000 0.554 57 W N 2.349 123.629 121.300 -0.033 0.000 2.316 57 W HA 0.575 5.236 4.660 0.001 0.000 0.321 57 W C -1.018 175.451 176.519 -0.083 0.000 1.203 57 W CA -0.822 56.502 57.345 -0.035 0.000 1.214 57 W CB 0.943 30.389 29.460 -0.024 0.000 1.169 57 W HN -0.020 nan 8.180 nan 0.000 0.561 58 D N 4.913 124.934 120.400 -0.631 0.000 2.542 58 D HA 0.074 4.714 4.640 0.001 0.000 0.252 58 D C 0.937 176.485 176.300 -1.253 0.000 1.222 58 D CA -0.305 53.253 54.000 -0.737 0.000 0.895 58 D CB 1.612 42.186 40.800 -0.378 0.000 1.207 58 D HN 0.641 nan 8.370 nan 0.000 0.558 59 K N 2.537 122.038 120.400 -1.498 0.000 2.211 59 K HA -0.191 4.130 4.320 0.001 0.000 0.204 59 K C 0.885 177.047 176.600 -0.730 0.000 1.047 59 K CA 1.258 56.712 56.287 -1.387 0.000 0.935 59 K CB -0.205 31.707 32.500 -0.980 0.000 0.728 59 K HN 0.475 nan 8.250 nan 0.000 0.452 60 H N 0.805 119.640 119.070 -0.393 0.000 2.321 60 H HA -0.097 4.460 4.556 0.001 0.000 0.300 60 H C 0.863 176.075 175.328 -0.193 0.000 1.087 60 H CA 1.601 57.509 56.048 -0.233 0.000 1.319 60 H CB 0.037 29.691 29.762 -0.181 0.000 1.379 60 H HN 0.557 nan 8.280 nan 0.000 0.501 61 D N -0.939 119.388 120.400 -0.121 0.000 2.804 61 D HA 0.020 4.661 4.640 0.001 0.000 0.308 61 D C -0.618 175.607 176.300 -0.126 0.000 1.371 61 D CA -0.354 53.589 54.000 -0.095 0.000 0.823 61 D CB -0.622 40.148 40.800 -0.049 0.000 1.126 61 D HN 0.143 nan 8.370 nan 0.000 0.467 62 N N 0.304 118.877 118.700 -0.212 0.000 2.712 62 N HA -0.246 4.494 4.740 0.001 0.000 0.261 62 N C -1.104 174.437 175.510 0.053 0.000 0.950 62 N CA 1.152 54.142 53.050 -0.100 0.000 0.821 62 N CB -0.490 38.053 38.487 0.094 0.000 0.919 62 N HN 0.312 nan 8.380 nan 0.000 0.551 63 T N -0.282 114.251 114.554 -0.036 0.000 2.794 63 T HA 0.642 4.993 4.350 0.001 0.000 0.280 63 T C 0.562 175.348 174.700 0.143 0.000 0.987 63 T CA 0.569 62.724 62.100 0.091 0.000 0.993 63 T CB 1.103 69.995 68.868 0.040 0.000 0.939 63 T HN 0.717 nan 8.240 nan 0.000 0.449 64 G N 2.871 111.810 108.800 0.232 0.000 2.418 64 G HA2 0.438 4.398 3.960 0.001 0.000 0.206 64 G HA3 0.438 4.398 3.960 0.001 0.000 0.206 64 G C 0.339 175.417 174.900 0.298 0.000 1.202 64 G CA 0.056 45.295 45.100 0.232 0.000 1.061 64 G HN 2.280 nan 8.290 nan 0.000 0.563 65 G N -2.261 106.701 108.800 0.270 0.000 2.710 65 G HA2 0.340 4.301 3.960 0.001 0.000 0.668 65 G HA3 0.340 4.301 3.960 0.001 0.000 0.668 65 G C 1.172 176.134 174.900 0.104 0.000 1.320 65 G CA 1.162 46.355 45.100 0.155 0.000 0.860 65 G HN 2.435 nan 8.290 nan 0.000 0.538 66 S N -1.325 114.401 115.700 0.045 0.000 2.461 66 S HA -0.024 4.447 4.470 0.001 0.000 0.228 66 S C 1.852 176.501 174.600 0.082 0.000 1.005 66 S CA 1.640 59.885 58.200 0.075 0.000 0.942 66 S CB -0.286 62.935 63.200 0.035 0.000 0.776 66 S HN 1.189 nan 8.310 nan 0.000 0.514 67 Y N 2.992 123.234 120.300 -0.097 0.000 2.014 67 Y HA -0.127 4.424 4.550 0.001 0.000 0.272 67 Y C 2.590 178.426 175.900 -0.107 0.000 1.164 67 Y CA 1.863 59.873 58.100 -0.149 0.000 1.114 67 Y CB -1.082 37.203 38.460 -0.292 0.000 0.961 67 Y HN 0.330 nan 8.280 nan 0.000 0.489 68 G N -1.341 107.486 108.800 0.046 0.000 2.470 68 G HA2 -0.007 3.953 3.960 0.001 0.000 0.220 68 G HA3 -0.007 3.953 3.960 0.001 0.000 0.220 68 G C 1.341 176.267 174.900 0.043 0.000 1.121 68 G CA 0.707 45.829 45.100 0.036 0.000 0.766 68 G HN 1.109 nan 8.290 nan 0.000 0.553 69 G N -0.226 108.607 108.800 0.055 0.000 2.198 69 G HA2 -0.266 3.695 3.960 0.001 0.000 0.260 69 G HA3 -0.266 3.695 3.960 0.001 0.000 0.260 69 G C 0.942 175.946 174.900 0.174 0.000 1.025 69 G CA 1.297 46.442 45.100 0.075 0.000 0.769 69 G HN 1.377 nan 8.290 nan 0.000 0.507 70 T N -2.818 111.875 114.554 0.232 0.000 3.658 70 T HA 0.176 4.527 4.350 0.001 0.000 0.250 70 T C 1.328 176.146 174.700 0.196 0.000 1.060 70 T CA 0.922 63.187 62.100 0.275 0.000 0.962 70 T CB -0.184 68.916 68.868 0.387 0.000 1.075 70 T HN 0.648 nan 8.240 nan 0.000 0.610 71 Y N 1.126 121.441 120.300 0.024 0.000 2.476 71 Y HA 0.333 4.883 4.550 0.001 0.000 0.283 71 Y C 2.378 178.164 175.900 -0.190 0.000 1.109 71 Y CA -0.265 57.774 58.100 -0.101 0.000 1.246 71 Y CB -0.028 38.212 38.460 -0.366 0.000 1.068 71 Y HN 0.166 nan 8.280 nan 0.000 0.552 72 R N -0.004 120.246 120.500 -0.416 0.000 2.159 72 R HA -0.123 4.218 4.340 0.001 0.000 0.237 72 R C -0.500 175.412 176.300 -0.645 0.000 1.131 72 R CA 0.624 56.335 56.100 -0.648 0.000 0.982 72 R CB -0.531 29.400 30.300 -0.614 0.000 0.868 72 R HN 0.175 nan 8.270 nan 0.000 0.453 73 F N 1.915 121.795 119.950 -0.118 0.000 2.410 73 F HA 0.125 4.653 4.527 0.001 0.000 0.348 73 F C 1.360 177.093 175.800 -0.112 0.000 1.106 73 F CA -0.796 57.145 58.000 -0.099 0.000 1.163 73 F CB 1.189 40.173 39.000 -0.027 0.000 1.129 73 F HN -0.092 nan 8.300 nan 0.000 0.516 74 K N 2.481 122.904 120.400 0.038 0.000 2.148 74 K HA -0.346 3.975 4.320 0.001 0.000 0.213 74 K C 1.651 178.315 176.600 0.107 0.000 1.050 74 K CA 2.430 58.733 56.287 0.025 0.000 0.932 74 K CB -0.362 32.149 32.500 0.018 0.000 0.717 74 K HN 0.633 nan 8.250 nan 0.000 0.462 75 K N -0.077 120.388 120.400 0.108 0.000 2.057 75 K HA -0.155 4.166 4.320 0.001 0.000 0.207 75 K C 2.181 178.842 176.600 0.101 0.000 1.049 75 K CA 1.715 58.062 56.287 0.100 0.000 0.931 75 K CB -0.034 32.521 32.500 0.092 0.000 0.714 75 K HN 0.318 nan 8.250 nan 0.000 0.440 76 E N -0.381 119.883 120.200 0.107 0.000 2.122 76 E HA -0.101 4.249 4.350 0.001 0.000 0.190 76 E C 1.787 178.403 176.600 0.026 0.000 0.977 76 E CA 0.468 56.928 56.400 0.100 0.000 0.820 76 E CB -0.086 29.697 29.700 0.138 0.000 0.770 76 E HN 0.255 nan 8.360 nan 0.000 0.462 77 F N 1.971 121.713 119.950 -0.347 0.000 2.095 77 F HA -0.182 4.346 4.527 0.001 0.000 0.298 77 F C 1.326 177.014 175.800 -0.187 0.000 1.104 77 F CA 1.515 59.166 58.000 -0.582 0.000 1.232 77 F CB 0.067 38.761 39.000 -0.511 0.000 0.987 77 F HN -0.037 nan 8.300 nan 0.000 0.475 78 N N 0.227 118.998 118.700 0.119 0.000 2.327 78 N HA -0.019 4.721 4.740 0.001 0.000 0.231 78 N C -0.839 174.702 175.510 0.051 0.000 1.130 78 N CA -0.158 52.940 53.050 0.080 0.000 0.845 78 N CB -0.217 38.360 38.487 0.150 0.000 1.073 78 N HN 0.130 nan 8.380 nan 0.000 0.496 79 D N 0.584 121.011 120.400 0.045 0.000 2.390 79 D HA 0.049 4.689 4.640 0.001 0.000 0.249 79 D C -1.500 174.828 176.300 0.047 0.000 1.144 79 D CA -1.992 52.044 54.000 0.060 0.000 0.880 79 D CB 1.400 42.251 40.800 0.086 0.000 1.182 79 D HN 0.023 nan 8.370 nan 0.000 0.451 80 P HA -0.169 nan 4.420 nan 0.000 0.215 80 P C 1.181 178.514 177.300 0.055 0.000 1.157 80 P CA 1.695 64.822 63.100 0.046 0.000 0.874 80 P CB 0.098 31.828 31.700 0.050 0.000 0.790 81 S N -2.461 113.285 115.700 0.077 0.000 2.561 81 S HA -0.015 4.455 4.470 0.001 0.000 0.225 81 S C 1.329 175.986 174.600 0.095 0.000 0.977 81 S CA 0.509 58.774 58.200 0.109 0.000 0.926 81 S CB -1.107 62.170 63.200 0.129 0.000 0.769 81 S HN 0.209 nan 8.310 nan 0.000 0.533 82 N N 1.546 120.276 118.700 0.050 0.000 2.327 82 N HA 0.370 5.111 4.740 0.001 0.000 0.231 82 N C -0.134 175.331 175.510 -0.074 0.000 1.130 82 N CA -0.214 52.823 53.050 -0.021 0.000 0.845 82 N CB 0.308 38.847 38.487 0.087 0.000 1.073 82 N HN 0.464 nan 8.380 nan 0.000 0.496 83 A N -0.407 122.382 122.820 -0.051 0.000 2.401 83 A HA 0.522 4.843 4.320 0.001 0.000 0.259 83 A C 1.349 178.890 177.584 -0.071 0.000 1.103 83 A CA 0.540 52.544 52.037 -0.054 0.000 0.789 83 A CB 0.219 19.212 19.000 -0.012 0.000 1.035 83 A HN 0.391 nan 8.150 nan 0.000 0.491 84 G N 0.950 109.701 108.800 -0.081 0.000 2.258 84 G HA2 -0.264 3.697 3.960 0.001 0.000 0.233 84 G HA3 -0.264 3.697 3.960 0.001 0.000 0.233 84 G C 0.894 175.760 174.900 -0.056 0.000 1.006 84 G CA 0.432 45.483 45.100 -0.081 0.000 0.620 84 G HN 0.769 nan 8.290 nan 0.000 0.511 85 L N 0.508 121.675 121.223 -0.094 0.000 2.353 85 L HA -0.041 4.300 4.340 0.001 0.000 0.220 85 L C 2.891 179.762 176.870 0.002 0.000 1.133 85 L CA 1.720 56.499 54.840 -0.100 0.000 0.798 85 L CB -0.361 41.556 42.059 -0.237 0.000 0.922 85 L HN 0.332 nan 8.230 nan 0.000 0.445 86 Q N 0.084 119.868 119.800 -0.026 0.000 2.112 86 Q HA -0.216 4.125 4.340 0.001 0.000 0.206 86 Q C 2.011 178.130 176.000 0.198 0.000 0.987 86 Q CA 1.730 57.553 55.803 0.035 0.000 0.858 86 Q CB -0.171 28.536 28.738 -0.052 0.000 0.905 86 Q HN 0.522 nan 8.270 nan 0.000 0.420 87 N N -0.777 118.016 118.700 0.154 0.000 2.244 87 N HA -0.089 4.652 4.740 0.001 0.000 0.183 87 N C 1.722 177.362 175.510 0.216 0.000 1.016 87 N CA 1.276 54.447 53.050 0.203 0.000 0.866 87 N CB -0.229 38.411 38.487 0.255 0.000 0.980 87 N HN 0.360 nan 8.380 nan 0.000 0.430 88 G N 0.370 109.272 108.800 0.170 0.000 2.421 88 G HA2 -0.202 3.759 3.960 0.001 0.000 0.217 88 G HA3 -0.202 3.759 3.960 0.001 0.000 0.217 88 G C 1.237 176.279 174.900 0.237 0.000 1.143 88 G CA 0.042 45.220 45.100 0.131 0.000 0.784 88 G HN 0.210 nan 8.290 nan 0.000 0.541 89 F N 2.152 122.165 119.950 0.106 0.000 2.149 89 F HA 0.097 4.624 4.527 0.001 0.000 0.294 89 F C 2.527 178.436 175.800 0.181 0.000 1.095 89 F CA 1.257 59.370 58.000 0.188 0.000 1.276 89 F CB -0.522 38.697 39.000 0.365 0.000 1.023 89 F HN 0.194 nan 8.300 nan 0.000 0.480 90 K N -0.095 120.351 120.400 0.078 0.000 2.173 90 K HA -0.300 4.021 4.320 0.001 0.000 0.207 90 K C 2.111 178.645 176.600 -0.110 0.000 1.046 90 K CA 2.154 58.389 56.287 -0.087 0.000 0.929 90 K CB -1.123 31.398 32.500 0.035 0.000 0.720 90 K HN 0.312 nan 8.250 nan 0.000 0.453 91 F N 0.746 120.554 119.950 -0.238 0.000 2.113 91 F HA 0.034 4.561 4.527 0.001 0.000 0.297 91 F C 1.490 177.137 175.800 -0.255 0.000 1.103 91 F CA 1.298 59.041 58.000 -0.429 0.000 1.248 91 F CB 0.001 38.595 39.000 -0.677 0.000 0.999 91 F HN -0.027 nan 8.300 nan 0.000 0.475 92 L N -0.051 121.186 121.223 0.024 0.000 2.478 92 L HA -0.063 4.278 4.340 0.001 0.000 0.223 92 L C 2.128 178.991 176.870 -0.012 0.000 1.140 92 L CA 0.561 55.419 54.840 0.030 0.000 0.842 92 L CB -0.591 41.645 42.059 0.295 0.000 0.953 92 L HN 0.196 nan 8.230 nan 0.000 0.452 93 E N 0.634 120.755 120.200 -0.131 0.000 2.051 93 E HA -0.198 4.153 4.350 0.001 0.000 0.192 93 E C -0.584 175.947 176.600 -0.114 0.000 0.991 93 E CA 1.195 57.494 56.400 -0.169 0.000 0.799 93 E CB -0.804 28.664 29.700 -0.387 0.000 0.748 93 E HN 0.449 nan 8.360 nan 0.000 0.449 94 P HA -0.086 nan 4.420 nan 0.000 0.226 94 P C 1.256 178.478 177.300 -0.131 0.000 1.153 94 P CA 0.717 63.720 63.100 -0.163 0.000 0.777 94 P CB 0.112 31.686 31.700 -0.209 0.000 0.794 95 I N -1.445 119.058 120.570 -0.112 0.000 3.419 95 I HA -0.051 4.120 4.170 0.001 0.000 0.286 95 I C 1.126 177.332 176.117 0.149 0.000 1.268 95 I CA 1.209 62.507 61.300 -0.003 0.000 1.414 95 I CB -0.469 37.492 38.000 -0.064 0.000 1.074 95 I HN -0.019 nan 8.210 nan 0.000 0.457 96 H N 0.820 119.870 119.070 -0.034 0.000 2.553 96 H HA 0.170 4.727 4.556 0.001 0.000 0.265 96 H C 1.197 176.488 175.328 -0.062 0.000 0.964 96 H CA 0.597 56.629 56.048 -0.027 0.000 1.156 96 H CB 0.382 30.149 29.762 0.008 0.000 1.411 96 H HN 0.089 nan 8.280 nan 0.000 0.558 97 K N -0.147 120.239 120.400 -0.023 0.000 2.387 97 K HA 0.116 4.436 4.320 0.001 0.000 0.203 97 K C 1.391 177.904 176.600 -0.145 0.000 1.030 97 K CA 0.041 56.265 56.287 -0.104 0.000 1.099 97 K CB 0.668 33.106 32.500 -0.103 0.000 0.863 97 K HN 0.280 nan 8.250 nan 0.000 0.529 98 E N -0.948 119.136 120.200 -0.194 0.000 2.399 98 E HA 0.121 4.472 4.350 0.001 0.000 0.205 98 E C -0.818 175.350 176.600 -0.721 0.000 0.906 98 E CA 0.208 56.333 56.400 -0.458 0.000 0.998 98 E CB 0.486 29.858 29.700 -0.547 0.000 1.002 98 E HN 0.100 nan 8.360 nan 0.000 0.501 99 F N 1.091 120.952 119.950 -0.148 0.000 2.809 99 F HA 0.326 4.854 4.527 0.001 0.000 0.369 99 F C -2.070 173.482 175.800 -0.413 0.000 1.225 99 F CA -1.721 56.036 58.000 -0.404 0.000 1.201 99 F CB 1.887 40.468 39.000 -0.699 0.000 1.527 99 F HN -0.078 nan 8.300 nan 0.000 0.565 100 P HA -0.073 nan 4.420 nan 0.000 0.241 100 P C 1.197 178.500 177.300 0.005 0.000 1.191 100 P CA 0.835 63.875 63.100 -0.100 0.000 0.771 100 P CB 0.060 31.732 31.700 -0.047 0.000 0.929 101 W N 0.016 121.390 121.300 0.123 0.000 2.476 101 W HA 0.168 4.829 4.660 0.001 0.000 0.281 101 W C 0.972 177.586 176.519 0.160 0.000 1.230 101 W CA -0.388 57.023 57.345 0.110 0.000 1.287 101 W CB -1.526 27.981 29.460 0.078 0.000 1.108 101 W HN -0.187 nan 8.180 nan 0.000 0.567 102 I N 2.632 123.097 120.570 -0.174 0.000 2.692 102 I HA 0.008 4.179 4.170 0.001 0.000 0.284 102 I C 0.855 177.022 176.117 0.083 0.000 1.159 102 I CA 0.382 61.656 61.300 -0.044 0.000 1.423 102 I CB 1.156 38.920 38.000 -0.393 0.000 1.380 102 I HN -0.228 nan 8.210 nan 0.000 0.580 103 S N 3.693 119.433 115.700 0.066 0.000 2.585 103 S HA 0.092 4.563 4.470 0.001 0.000 0.273 103 S C 1.233 175.696 174.600 -0.228 0.000 1.339 103 S CA -0.365 57.816 58.200 -0.031 0.000 1.028 103 S CB 1.519 64.673 63.200 -0.077 0.000 0.906 103 S HN 0.787 nan 8.310 nan 0.000 0.528 104 S N 2.835 118.356 115.700 -0.299 0.000 2.370 104 S HA -0.080 4.391 4.470 0.001 0.000 0.226 104 S C 2.018 175.834 174.600 -1.308 0.000 1.033 104 S CA 1.419 59.130 58.200 -0.814 0.000 1.011 104 S CB -0.711 62.137 63.200 -0.586 0.000 0.852 104 S HN 0.893 nan 8.310 nan 0.000 0.457 105 G N 0.703 109.140 108.800 -0.606 0.000 2.403 105 G HA2 -0.186 3.775 3.960 0.001 0.000 0.216 105 G HA3 -0.186 3.775 3.960 0.001 0.000 0.216 105 G C 1.075 175.908 174.900 -0.112 0.000 1.154 105 G CA 0.849 45.792 45.100 -0.262 0.000 0.784 105 G HN 0.429 nan 8.290 nan 0.000 0.538 106 D N -0.383 119.961 120.400 -0.093 0.000 2.178 106 D HA -0.063 4.577 4.640 0.001 0.000 0.201 106 D C 2.236 178.620 176.300 0.139 0.000 0.980 106 D CA 0.258 54.357 54.000 0.164 0.000 0.842 106 D CB -0.016 40.883 40.800 0.164 0.000 0.948 106 D HN 0.194 nan 8.370 nan 0.000 0.472 107 L N -0.700 120.418 121.223 -0.174 0.000 2.127 107 L HA -0.006 4.335 4.340 0.001 0.000 0.203 107 L C 1.796 178.623 176.870 -0.071 0.000 1.080 107 L CA 0.972 55.657 54.840 -0.257 0.000 0.768 107 L CB -0.655 41.096 42.059 -0.512 0.000 0.924 107 L HN 0.122 nan 8.230 nan 0.000 0.444 108 F N 0.857 120.772 119.950 -0.058 0.000 2.102 108 F HA -0.262 4.266 4.527 0.001 0.000 0.298 108 F C 2.970 178.768 175.800 -0.003 0.000 1.105 108 F CA 1.213 59.194 58.000 -0.030 0.000 1.239 108 F CB -0.352 38.626 39.000 -0.035 0.000 0.991 108 F HN 0.286 nan 8.300 nan 0.000 0.474 109 S N 0.661 116.507 115.700 0.244 0.000 2.368 109 S HA -0.173 4.298 4.470 0.001 0.000 0.224 109 S C 1.963 176.626 174.600 0.105 0.000 1.029 109 S CA 0.708 59.037 58.200 0.215 0.000 0.988 109 S CB -0.915 62.483 63.200 0.330 0.000 0.838 109 S HN 0.365 nan 8.310 nan 0.000 0.462 110 L N 1.892 123.057 121.223 -0.097 0.000 2.131 110 L HA -0.017 4.324 4.340 0.001 0.000 0.210 110 L C 2.542 179.233 176.870 -0.298 0.000 1.092 110 L CA 1.836 56.344 54.840 -0.553 0.000 0.759 110 L CB -1.644 39.930 42.059 -0.808 0.000 0.903 110 L HN 0.558 nan 8.230 nan 0.000 0.435 111 G N -0.827 107.903 108.800 -0.117 0.000 2.422 111 G HA2 -0.240 3.721 3.960 0.001 0.000 0.218 111 G HA3 -0.240 3.721 3.960 0.001 0.000 0.218 111 G C 1.472 176.363 174.900 -0.015 0.000 1.146 111 G CA 0.697 45.766 45.100 -0.053 0.000 0.769 111 G HN 0.532 nan 8.290 nan 0.000 0.547 112 G N 0.175 109.034 108.800 0.099 0.000 2.403 112 G HA2 -0.052 3.909 3.960 0.001 0.000 0.216 112 G HA3 -0.052 3.909 3.960 0.001 0.000 0.216 112 G C 1.753 176.785 174.900 0.220 0.000 1.154 112 G CA 1.025 46.266 45.100 0.234 0.000 0.784 112 G HN 0.300 nan 8.290 nan 0.000 0.538 113 V N 0.562 120.606 119.914 0.216 0.000 2.295 113 V HA -0.167 3.954 4.120 0.001 0.000 0.246 113 V C 3.020 179.128 176.094 0.023 0.000 1.049 113 V CA 2.327 64.740 62.300 0.189 0.000 1.024 113 V CB -0.605 31.313 31.823 0.160 0.000 0.648 113 V HN 0.462 nan 8.190 nan 0.000 0.447 114 T N -0.800 113.647 114.554 -0.178 0.000 2.951 114 T HA -0.023 4.328 4.350 0.001 0.000 0.268 114 T C 1.834 176.340 174.700 -0.324 0.000 1.073 114 T CA 1.348 63.146 62.100 -0.504 0.000 1.134 114 T CB -0.126 68.159 68.868 -0.972 0.000 0.884 114 T HN 0.514 nan 8.240 nan 0.000 0.479 115 A N 0.492 123.204 122.820 -0.179 0.000 1.872 115 A HA 0.054 4.374 4.320 0.001 0.000 0.214 115 A C 2.477 179.989 177.584 -0.119 0.000 1.187 115 A CA 1.550 53.514 52.037 -0.123 0.000 0.614 115 A CB -0.908 18.050 19.000 -0.070 0.000 0.826 115 A HN 0.409 nan 8.150 nan 0.000 0.442 116 V N 0.193 120.008 119.914 -0.165 0.000 2.358 116 V HA -0.292 3.829 4.120 0.001 0.000 0.246 116 V C 2.629 178.548 176.094 -0.292 0.000 1.047 116 V CA 2.146 64.247 62.300 -0.330 0.000 1.035 116 V CB -0.938 30.549 31.823 -0.560 0.000 0.658 116 V HN 0.603 nan 8.190 nan 0.000 0.452 117 Q N -0.611 119.102 119.800 -0.147 0.000 2.079 117 Q HA -0.178 4.163 4.340 0.001 0.000 0.200 117 Q C 2.298 178.308 176.000 0.017 0.000 0.974 117 Q CA 1.168 56.952 55.803 -0.032 0.000 0.840 117 Q CB -0.153 28.690 28.738 0.176 0.000 0.898 117 Q HN 0.581 nan 8.270 nan 0.000 0.430 118 E N 0.256 120.455 120.200 -0.002 0.000 2.274 118 E HA -0.049 4.302 4.350 0.001 0.000 0.194 118 E C 1.186 177.800 176.600 0.023 0.000 0.996 118 E CA 0.711 57.123 56.400 0.021 0.000 0.840 118 E CB 0.080 29.763 29.700 -0.030 0.000 0.772 118 E HN 0.409 nan 8.360 nan 0.000 0.491 119 M N 0.440 120.038 119.600 -0.003 0.000 2.631 119 M HA 0.042 4.523 4.480 0.001 0.000 0.241 119 M C -0.336 176.004 176.300 0.066 0.000 1.255 119 M CA 0.211 55.533 55.300 0.037 0.000 0.983 119 M CB 0.003 32.630 32.600 0.045 0.000 1.580 119 M HN -0.058 nan 8.290 nan 0.000 0.464 120 Q N -0.909 118.923 119.800 0.053 0.000 2.481 120 Q HA -0.168 4.173 4.340 0.001 0.000 0.272 120 Q C 0.451 176.504 176.000 0.088 0.000 1.157 120 Q CA 0.361 56.219 55.803 0.092 0.000 0.935 120 Q CB -2.134 26.687 28.738 0.138 0.000 1.338 120 Q HN 0.766 nan 8.270 nan 0.000 0.494 121 G N 0.943 109.652 108.800 -0.151 0.000 2.531 121 G HA2 0.593 4.554 3.960 0.001 0.000 0.281 121 G HA3 0.593 4.554 3.960 0.001 0.000 0.281 121 G C -2.326 172.171 174.900 -0.672 0.000 1.382 121 G CA -0.846 43.880 45.100 -0.623 0.000 1.045 121 G HN 0.057 nan 8.290 nan 0.000 0.533 122 P HA 0.251 nan 4.420 nan 0.000 0.274 122 P C -0.957 176.188 177.300 -0.258 0.000 1.237 122 P CA -0.308 62.489 63.100 -0.504 0.000 0.793 122 P CB 1.195 32.582 31.700 -0.522 0.000 0.977 123 K N 1.996 122.343 120.400 -0.088 0.000 2.316 123 K HA 0.350 4.671 4.320 0.001 0.000 0.289 123 K C -0.050 176.554 176.600 0.007 0.000 1.070 123 K CA -0.249 56.034 56.287 -0.006 0.000 0.928 123 K CB -0.086 32.432 32.500 0.031 0.000 1.039 123 K HN 0.409 nan 8.250 nan 0.000 0.480 124 I N 6.119 126.725 120.570 0.059 0.000 2.321 124 I HA 0.219 4.390 4.170 0.001 0.000 0.291 124 I C -2.150 174.054 176.117 0.145 0.000 0.998 124 I CA -2.560 58.797 61.300 0.095 0.000 1.227 124 I CB 1.310 39.412 38.000 0.170 0.000 1.368 124 I HN 0.309 nan 8.210 nan 0.000 0.466 125 P HA -0.003 nan 4.420 nan 0.000 0.267 125 P C -1.369 176.007 177.300 0.127 0.000 1.205 125 P CA 0.015 63.136 63.100 0.035 0.000 0.765 125 P CB 0.352 32.015 31.700 -0.061 0.000 0.828 126 W N 4.861 126.118 121.300 -0.071 0.000 2.819 126 W HA 0.508 5.169 4.660 0.001 0.000 0.337 126 W C -0.882 175.550 176.519 -0.145 0.000 1.077 126 W CA -0.610 56.729 57.345 -0.009 0.000 1.226 126 W CB 1.659 31.276 29.460 0.262 0.000 1.419 126 W HN 0.204 nan 8.180 nan 0.000 0.502 127 R N 3.812 123.691 120.500 -1.035 0.000 2.740 127 R HA 0.624 4.964 4.340 0.001 0.000 0.282 127 R C -0.358 174.972 176.300 -1.617 0.000 0.969 127 R CA -0.709 54.693 56.100 -1.163 0.000 0.918 127 R CB 1.443 31.151 30.300 -0.986 0.000 1.175 127 R HN 0.688 nan 8.270 nan 0.000 0.464 128 C N -1.157 117.504 119.300 -1.066 0.000 2.380 128 C HA 0.940 5.401 4.460 0.001 0.000 0.393 128 C C 1.277 176.155 174.990 -0.187 0.000 1.284 128 C CA 0.389 58.963 59.018 -0.741 0.000 2.033 128 C CB 0.737 28.196 27.740 -0.468 0.000 2.165 128 C HN 1.024 nan 8.230 nan 0.000 0.540 129 G N 0.212 108.992 108.800 -0.033 0.000 2.205 129 G HA2 -0.099 3.862 3.960 0.001 0.000 0.180 129 G HA3 -0.099 3.862 3.960 0.001 0.000 0.180 129 G C 0.009 174.903 174.900 -0.009 0.000 1.004 129 G CA -0.348 44.794 45.100 0.069 0.000 0.670 129 G HN 0.937 nan 8.290 nan 0.000 0.496 130 R N 0.159 120.586 120.500 -0.122 0.000 2.543 130 R HA 0.513 4.854 4.340 0.001 0.000 0.277 130 R C -0.217 175.771 176.300 -0.521 0.000 1.074 130 R CA 0.045 55.895 56.100 -0.418 0.000 1.076 130 R CB 1.419 31.559 30.300 -0.267 0.000 0.993 130 R HN 0.090 nan 8.270 nan 0.000 0.459 131 V N 2.534 121.812 119.914 -1.060 0.000 2.680 131 V HA 0.107 4.227 4.120 0.001 0.000 0.309 131 V C -0.337 175.492 176.094 -0.441 0.000 1.052 131 V CA -0.995 60.986 62.300 -0.532 0.000 0.908 131 V CB 2.132 33.794 31.823 -0.269 0.000 1.001 131 V HN 0.685 nan 8.190 nan 0.000 0.431 132 D N 3.215 123.520 120.400 -0.159 0.000 2.401 132 D HA 0.257 4.897 4.640 0.001 0.000 0.254 132 D C 0.420 176.755 176.300 0.059 0.000 1.192 132 D CA 0.394 54.374 54.000 -0.033 0.000 0.885 132 D CB 1.350 42.170 40.800 0.032 0.000 1.147 132 D HN 0.770 nan 8.370 nan 0.000 0.478 133 T N -0.126 114.505 114.554 0.129 0.000 2.855 133 T HA 0.565 4.916 4.350 0.001 0.000 0.281 133 T C -2.535 172.273 174.700 0.180 0.000 1.007 133 T CA -2.146 60.052 62.100 0.163 0.000 1.009 133 T CB 1.848 70.827 68.868 0.185 0.000 0.983 133 T HN -0.076 nan 8.240 nan 0.000 0.455 134 P HA 0.104 nan 4.420 nan 0.000 0.269 134 P C 1.140 178.199 177.300 -0.402 0.000 1.211 134 P CA -0.261 62.768 63.100 -0.119 0.000 0.781 134 P CB 0.450 32.105 31.700 -0.074 0.000 0.877 135 E N 1.105 120.812 120.200 -0.821 0.000 2.208 135 E HA -0.275 4.076 4.350 0.001 0.000 0.202 135 E C 0.893 177.249 176.600 -0.407 0.000 1.014 135 E CA 1.956 57.773 56.400 -0.971 0.000 0.819 135 E CB -0.374 28.925 29.700 -0.668 0.000 0.735 135 E HN 0.632 nan 8.360 nan 0.000 0.469 136 D N -0.682 119.584 120.400 -0.224 0.000 2.349 136 D HA -0.064 4.576 4.640 0.001 0.000 0.224 136 D C 1.085 177.363 176.300 -0.038 0.000 1.029 136 D CA 0.535 54.475 54.000 -0.101 0.000 0.879 136 D CB -0.069 40.692 40.800 -0.065 0.000 0.906 136 D HN -0.099 nan 8.370 nan 0.000 0.528 137 T N -0.421 114.117 114.554 -0.025 0.000 3.275 137 T HA 0.122 4.473 4.350 0.001 0.000 0.265 137 T C -0.274 174.482 174.700 0.094 0.000 0.978 137 T CA -0.395 61.738 62.100 0.055 0.000 0.923 137 T CB -0.577 68.353 68.868 0.104 0.000 1.126 137 T HN 0.024 nan 8.240 nan 0.000 0.538 138 T N 3.837 118.432 114.554 0.068 0.000 2.743 138 T HA 0.479 4.829 4.350 0.001 0.000 0.293 138 T C -2.586 172.180 174.700 0.110 0.000 0.945 138 T CA -1.670 60.511 62.100 0.136 0.000 1.030 138 T CB 0.711 69.671 68.868 0.152 0.000 0.912 138 T HN 0.192 nan 8.240 nan 0.000 0.483 139 P HA 0.219 nan 4.420 nan 0.000 0.269 139 P C -0.812 176.542 177.300 0.090 0.000 1.209 139 P CA -0.366 62.794 63.100 0.101 0.000 0.776 139 P CB 0.448 32.214 31.700 0.111 0.000 0.876 140 D N 1.878 122.320 120.400 0.071 0.000 2.225 140 D HA 0.134 4.775 4.640 0.001 0.000 0.248 140 D C 0.155 176.495 176.300 0.066 0.000 1.096 140 D CA -0.220 53.818 54.000 0.064 0.000 0.863 140 D CB 0.153 40.984 40.800 0.051 0.000 1.156 140 D HN 0.235 nan 8.370 nan 0.000 0.450 141 N N 0.677 119.418 118.700 0.068 0.000 2.098 141 N HA 0.098 4.839 4.740 0.001 0.000 0.268 141 N C 1.482 177.032 175.510 0.067 0.000 1.238 141 N CA 1.457 54.548 53.050 0.069 0.000 0.822 141 N CB 0.231 38.757 38.487 0.065 0.000 1.063 141 N HN 0.757 nan 8.380 nan 0.000 0.471 142 G N 0.567 109.409 108.800 0.069 0.000 2.179 142 G HA2 -0.316 3.645 3.960 0.001 0.000 0.220 142 G HA3 -0.316 3.645 3.960 0.001 0.000 0.220 142 G C 1.146 176.098 174.900 0.087 0.000 0.990 142 G CA 0.375 45.520 45.100 0.075 0.000 0.646 142 G HN 0.554 nan 8.290 nan 0.000 0.517 143 R N -0.236 120.313 120.500 0.081 0.000 2.115 143 R HA 0.258 4.599 4.340 0.001 0.000 0.230 143 R C 1.458 177.847 176.300 0.148 0.000 1.111 143 R CA 0.662 56.827 56.100 0.108 0.000 0.976 143 R CB -0.203 30.141 30.300 0.073 0.000 0.870 143 R HN 0.497 nan 8.270 nan 0.000 0.445 144 L N 2.290 123.522 121.223 0.015 0.000 2.452 144 L HA 0.162 4.503 4.340 0.001 0.000 0.267 144 L C -1.747 174.977 176.870 -0.243 0.000 1.188 144 L CA -1.958 52.790 54.840 -0.154 0.000 0.821 144 L CB 0.102 42.026 42.059 -0.224 0.000 1.102 144 L HN 0.046 nan 8.230 nan 0.000 0.470 145 P HA 0.033 nan 4.420 nan 0.000 0.271 145 P C -1.371 175.874 177.300 -0.092 0.000 1.233 145 P CA -0.315 62.397 63.100 -0.646 0.000 0.789 145 P CB 0.691 31.790 31.700 -1.001 0.000 0.951 146 D N 0.276 120.729 120.400 0.088 0.000 2.349 146 D HA 0.307 4.948 4.640 0.001 0.000 0.232 146 D C 1.177 177.464 176.300 -0.023 0.000 1.071 146 D CA -0.454 53.550 54.000 0.007 0.000 0.832 146 D CB 1.641 42.390 40.800 -0.086 0.000 1.086 146 D HN 0.284 nan 8.370 nan 0.000 0.504 147 A N 2.610 125.451 122.820 0.034 0.000 1.917 147 A HA -0.183 4.138 4.320 0.001 0.000 0.219 147 A C 1.227 178.810 177.584 -0.001 0.000 1.182 147 A CA 1.181 53.217 52.037 -0.003 0.000 0.633 147 A CB -0.082 18.830 19.000 -0.147 0.000 0.819 147 A HN 0.442 nan 8.150 nan 0.000 0.448 148 D N 0.200 120.629 120.400 0.047 0.000 2.551 148 D HA 0.444 5.085 4.640 0.001 0.000 0.223 148 D C -0.036 176.240 176.300 -0.041 0.000 1.144 148 D CA 0.338 54.383 54.000 0.076 0.000 1.025 148 D CB -0.261 40.625 40.800 0.143 0.000 1.085 148 D HN 0.320 nan 8.370 nan 0.000 0.506 149 K N 0.606 120.984 120.400 -0.038 0.000 2.454 149 K HA 0.255 4.576 4.320 0.001 0.000 0.279 149 K C -0.835 175.816 176.600 0.084 0.000 1.020 149 K CA -0.823 55.415 56.287 -0.082 0.000 0.850 149 K CB 1.235 33.451 32.500 -0.475 0.000 1.529 149 K HN 0.111 nan 8.250 nan 0.000 0.390 150 D N -0.741 119.745 120.400 0.143 0.000 2.712 150 D HA 0.375 5.015 4.640 0.001 0.000 0.252 150 D C 0.690 177.148 176.300 0.263 0.000 1.123 150 D CA -0.137 53.979 54.000 0.194 0.000 1.109 150 D CB 0.325 41.221 40.800 0.160 0.000 1.313 150 D HN 0.424 nan 8.370 nan 0.000 0.629 151 A N -0.336 122.620 122.820 0.226 0.000 1.917 151 A HA -0.156 4.164 4.320 0.001 0.000 0.219 151 A C 2.072 179.801 177.584 0.242 0.000 1.182 151 A CA 3.419 55.607 52.037 0.252 0.000 0.633 151 A CB -1.858 17.226 19.000 0.140 0.000 0.819 151 A HN 0.775 nan 8.150 nan 0.000 0.448 152 D N -2.293 118.224 120.400 0.196 0.000 2.178 152 D HA -0.151 4.489 4.640 0.001 0.000 0.202 152 D C 1.905 178.353 176.300 0.246 0.000 0.974 152 D CA 1.379 55.484 54.000 0.176 0.000 0.841 152 D CB -0.549 nan 40.800 nan 0.000 0.953 152 D HN 0.674 nan 8.370 nan 0.000 0.478 153 Y N 0.341 120.744 120.300 0.173 0.000 2.133 153 Y HA -0.033 4.517 4.550 0.001 0.000 0.287 153 Y C 2.671 178.740 175.900 0.282 0.000 1.134 153 Y CA 1.968 60.186 58.100 0.196 0.000 1.133 153 Y CB -0.346 38.209 38.460 0.159 0.000 0.987 153 Y HN 0.112 nan 8.280 nan 0.000 0.502 154 V N 1.028 121.196 119.914 0.422 0.000 2.490 154 V HA -0.264 3.857 4.120 0.001 0.000 0.250 154 V C 2.481 178.889 176.094 0.523 0.000 1.061 154 V CA 2.464 65.048 62.300 0.474 0.000 1.064 154 V CB -0.585 31.540 31.823 0.503 0.000 0.670 154 V HN 0.525 nan 8.190 nan 0.000 0.461 155 R N 0.203 120.949 120.500 0.410 0.000 2.062 155 R HA -0.121 4.219 4.340 0.001 0.000 0.229 155 R C 2.446 178.875 176.300 0.215 0.000 1.128 155 R CA 2.121 58.420 56.100 0.331 0.000 0.960 155 R CB -0.609 29.802 30.300 0.184 0.000 0.855 155 R HN 0.720 nan 8.270 nan 0.000 0.432 156 T N -1.754 112.881 114.554 0.135 0.000 2.951 156 T HA -0.110 4.240 4.350 0.001 0.000 0.268 156 T C 1.645 176.323 174.700 -0.037 0.000 1.073 156 T CA 0.808 62.939 62.100 0.051 0.000 1.134 156 T CB -0.361 68.535 68.868 0.047 0.000 0.884 156 T HN 0.315 nan 8.240 nan 0.000 0.479 157 F N 1.189 121.031 119.950 -0.181 0.000 2.098 157 F HA 0.166 4.693 4.527 0.001 0.000 0.294 157 F C 1.615 177.312 175.800 -0.172 0.000 1.107 157 F CA 0.727 58.528 58.000 -0.332 0.000 1.234 157 F CB -0.364 38.248 39.000 -0.647 0.000 1.002 157 F HN 0.083 nan 8.300 nan 0.000 0.472 158 F N 1.171 121.060 119.950 -0.102 0.000 2.546 158 F HA -0.113 4.415 4.527 0.001 0.000 0.298 158 F C 2.376 178.112 175.800 -0.106 0.000 1.120 158 F CA 1.100 59.048 58.000 -0.087 0.000 1.456 158 F CB -0.842 38.237 39.000 0.132 0.000 1.088 158 F HN 0.140 nan 8.300 nan 0.000 0.572 159 Q N -0.475 119.350 119.800 0.042 0.000 2.167 159 Q HA -0.162 4.178 4.340 0.001 0.000 0.202 159 Q C 2.295 178.241 176.000 -0.090 0.000 0.970 159 Q CA 0.976 56.786 55.803 0.012 0.000 0.855 159 Q CB -0.112 28.633 28.738 0.012 0.000 0.911 159 Q HN 0.337 nan 8.270 nan 0.000 0.438 160 R N -0.043 120.313 120.500 -0.240 0.000 2.152 160 R HA -0.058 4.282 4.340 0.001 0.000 0.232 160 R C 1.440 177.582 176.300 -0.264 0.000 1.117 160 R CA 0.810 56.691 56.100 -0.364 0.000 0.981 160 R CB 0.095 30.093 30.300 -0.504 0.000 0.870 160 R HN 0.239 nan 8.270 nan 0.000 0.451 161 L N 0.085 121.270 121.223 -0.063 0.000 2.607 161 L HA 0.115 4.455 4.340 0.001 0.000 0.228 161 L C 0.113 177.192 176.870 0.349 0.000 1.123 161 L CA -0.239 54.765 54.840 0.272 0.000 0.890 161 L CB 0.045 42.292 42.059 0.315 0.000 1.103 161 L HN 0.204 nan 8.230 nan 0.000 0.468 162 N N 1.027 119.846 118.700 0.199 0.000 2.756 162 N HA -0.171 4.570 4.740 0.001 0.000 0.248 162 N C -0.663 174.932 175.510 0.143 0.000 1.062 162 N CA 0.665 53.815 53.050 0.167 0.000 0.696 162 N CB -0.457 38.168 38.487 0.230 0.000 0.946 162 N HN 0.059 nan 8.380 nan 0.000 0.548 163 M N 0.629 120.322 119.600 0.155 0.000 2.383 163 M HA 0.372 4.853 4.480 0.001 0.000 0.325 163 M C 0.723 177.077 176.300 0.090 0.000 1.092 163 M CA -0.691 54.672 55.300 0.104 0.000 0.961 163 M CB 1.527 34.178 32.600 0.084 0.000 1.672 163 M HN 0.353 nan 8.290 nan 0.000 0.438 164 N N 0.671 119.405 118.700 0.058 0.000 2.643 164 N HA 0.329 5.069 4.740 0.001 0.000 0.305 164 N C -0.061 175.508 175.510 0.099 0.000 1.283 164 N CA -0.491 52.605 53.050 0.077 0.000 0.946 164 N CB 0.328 38.852 38.487 0.060 0.000 1.149 164 N HN 0.459 nan 8.380 nan 0.000 0.600 165 D N -0.774 119.712 120.400 0.144 0.000 2.106 165 D HA -0.190 4.450 4.640 0.001 0.000 0.191 165 D C 1.753 178.149 176.300 0.161 0.000 0.997 165 D CA 1.752 55.911 54.000 0.264 0.000 0.834 165 D CB -0.030 40.875 40.800 0.175 0.000 0.956 165 D HN 0.572 nan 8.370 nan 0.000 0.448 166 R N 0.795 121.350 120.500 0.092 0.000 2.081 166 R HA -0.141 4.200 4.340 0.001 0.000 0.235 166 R C 1.855 178.220 176.300 0.108 0.000 1.131 166 R CA 1.377 57.526 56.100 0.081 0.000 0.960 166 R CB 0.013 30.358 30.300 0.075 0.000 0.856 166 R HN 0.235 nan 8.270 nan 0.000 0.436 167 E N -0.409 119.820 120.200 0.048 0.000 2.107 167 E HA -0.138 4.213 4.350 0.001 0.000 0.191 167 E C 1.935 178.457 176.600 -0.129 0.000 0.982 167 E CA 1.337 57.733 56.400 -0.006 0.000 0.809 167 E CB 0.072 29.758 29.700 -0.023 0.000 0.756 167 E HN 0.379 nan 8.360 nan 0.000 0.459 168 V N -1.170 118.595 119.914 -0.248 0.000 2.719 168 V HA -0.088 4.032 4.120 0.001 0.000 0.252 168 V C 1.986 177.866 176.094 -0.356 0.000 1.065 168 V CA 0.948 62.907 62.300 -0.569 0.000 1.086 168 V CB -0.075 31.274 31.823 -0.790 0.000 0.700 168 V HN 0.037 nan 8.190 nan 0.000 0.467 169 V N 0.939 120.757 119.914 -0.161 0.000 2.809 169 V HA 0.052 4.173 4.120 0.001 0.000 0.256 169 V C 2.932 179.239 176.094 0.355 0.000 1.080 169 V CA 1.691 64.001 62.300 0.017 0.000 1.102 169 V CB -0.701 31.117 31.823 -0.009 0.000 0.705 169 V HN 0.674 nan 8.190 nan 0.000 0.475 170 A N -0.476 122.554 122.820 0.350 0.000 1.943 170 A HA 0.090 4.410 4.320 0.001 0.000 0.213 170 A C 2.092 179.954 177.584 0.463 0.000 1.181 170 A CA 0.825 53.162 52.037 0.501 0.000 0.653 170 A CB -0.249 18.963 19.000 0.354 0.000 0.833 170 A HN 0.460 nan 8.150 nan 0.000 0.451 171 L N -1.536 119.764 121.223 0.129 0.000 2.217 171 L HA -0.048 4.292 4.340 0.001 0.000 0.211 171 L C 2.526 179.292 176.870 -0.174 0.000 1.107 171 L CA 0.925 55.778 54.840 0.022 0.000 0.783 171 L CB -0.231 41.683 42.059 -0.241 0.000 0.919 171 L HN 0.359 nan 8.230 nan 0.000 0.442 172 M N -0.329 119.077 119.600 -0.324 0.000 2.476 172 M HA -0.000 4.481 4.480 0.001 0.000 0.262 172 M C 1.882 177.494 176.300 -1.146 0.000 1.079 172 M CA 0.931 55.794 55.300 -0.728 0.000 1.104 172 M CB -0.414 31.893 32.600 -0.489 0.000 1.409 172 M HN 0.119 nan 8.290 nan 0.000 0.467 173 G N -1.060 107.372 108.800 -0.614 0.000 2.679 173 G HA2 0.035 3.996 3.960 0.001 0.000 0.212 173 G HA3 0.035 3.996 3.960 0.001 0.000 0.212 173 G C 1.381 175.813 174.900 -0.781 0.000 1.137 173 G CA 0.631 45.270 45.100 -0.769 0.000 0.787 173 G HN 0.569 nan 8.290 nan 0.000 0.534 174 A N -0.208 122.213 122.820 -0.665 0.000 2.209 174 A HA 0.078 4.399 4.320 0.001 0.000 0.212 174 A C 1.670 178.888 177.584 -0.611 0.000 1.158 174 A CA 0.567 52.276 52.037 -0.548 0.000 0.742 174 A CB -0.601 18.260 19.000 -0.232 0.000 0.790 174 A HN 0.603 nan 8.150 nan 0.000 0.472 175 H N -1.151 117.240 119.070 -1.131 0.000 2.556 175 H HA 0.150 4.706 4.556 0.001 0.000 0.268 175 H C 2.129 176.840 175.328 -1.030 0.000 0.996 175 H CA 0.155 55.247 56.048 -1.594 0.000 1.157 175 H CB 0.254 28.554 29.762 -2.436 0.000 1.355 175 H HN 0.591 nan 8.280 nan 0.000 0.597 176 A N 0.798 123.267 122.820 -0.586 0.000 2.119 176 A HA 0.020 4.341 4.320 0.001 0.000 0.217 176 A C 0.912 178.390 177.584 -0.176 0.000 1.153 176 A CA 0.350 52.204 52.037 -0.305 0.000 0.692 176 A CB -0.119 18.640 19.000 -0.400 0.000 0.799 176 A HN 0.187 nan 8.150 nan 0.000 0.458 177 L N -0.881 120.216 121.223 -0.210 0.000 2.357 177 L HA 0.562 4.902 4.340 0.001 0.000 0.273 177 L C 1.356 178.286 176.870 0.099 0.000 1.080 177 L CA 0.022 54.835 54.840 -0.044 0.000 0.803 177 L CB 0.738 42.777 42.059 -0.032 0.000 1.174 177 L HN 0.524 nan 8.230 nan 0.000 0.443 178 G N 2.728 111.612 108.800 0.140 0.000 2.591 178 G HA2 -0.286 3.675 3.960 0.001 0.000 0.278 178 G HA3 -0.286 3.675 3.960 0.001 0.000 0.278 178 G C -0.599 174.449 174.900 0.248 0.000 1.293 178 G CA 0.563 45.776 45.100 0.188 0.000 0.930 178 G HN 0.872 nan 8.290 nan 0.000 0.562 179 K N -2.135 118.324 120.400 0.098 0.000 2.533 179 K HA 0.729 5.050 4.320 0.001 0.000 0.272 179 K C -0.392 175.929 176.600 -0.464 0.000 0.985 179 K CA -0.282 55.855 56.287 -0.249 0.000 0.876 179 K CB 1.137 33.433 32.500 -0.341 0.000 1.452 179 K HN 1.041 nan 8.250 nan 0.000 0.439 180 T N -0.640 113.511 114.554 -0.671 0.000 2.749 180 T HA 0.326 4.677 4.350 0.001 0.000 0.295 180 T C -0.643 173.833 174.700 -0.374 0.000 0.936 180 T CA -0.604 61.239 62.100 -0.428 0.000 1.060 180 T CB -0.265 68.349 68.868 -0.423 0.000 0.904 180 T HN 0.546 nan 8.240 nan 0.000 0.500 181 H N 2.275 121.315 119.070 -0.050 0.000 2.489 181 H HA 0.366 4.923 4.556 0.001 0.000 0.322 181 H C 0.979 176.299 175.328 -0.013 0.000 1.091 181 H CA -0.988 55.037 56.048 -0.040 0.000 1.291 181 H CB 1.537 31.276 29.762 -0.039 0.000 1.436 181 H HN 0.524 nan 8.280 nan 0.000 0.480 182 L N 2.895 124.156 121.223 0.064 0.000 2.201 182 L HA -0.139 4.202 4.340 0.001 0.000 0.212 182 L C 2.051 178.935 176.870 0.024 0.000 1.105 182 L CA 1.339 56.190 54.840 0.018 0.000 0.775 182 L CB -0.133 41.913 42.059 -0.023 0.000 0.913 182 L HN 0.669 nan 8.230 nan 0.000 0.440 183 K N -1.836 118.589 120.400 0.042 0.000 2.288 183 K HA -0.070 4.251 4.320 0.001 0.000 0.201 183 K C 1.537 178.152 176.600 0.025 0.000 1.048 183 K CA 1.396 57.696 56.287 0.021 0.000 0.956 183 K CB -0.236 32.270 32.500 0.010 0.000 0.746 183 K HN 0.241 nan 8.250 nan 0.000 0.461 184 N N 0.451 119.184 118.700 0.054 0.000 2.368 184 N HA -0.030 4.710 4.740 0.001 0.000 0.178 184 N C 0.977 176.534 175.510 0.078 0.000 1.021 184 N CA 1.512 54.594 53.050 0.053 0.000 0.875 184 N CB 0.668 39.190 38.487 0.059 0.000 1.020 184 N HN 0.450 nan 8.380 nan 0.000 0.433 185 S N -2.499 113.269 115.700 0.114 0.000 2.911 185 S HA 0.379 4.850 4.470 0.001 0.000 0.261 185 S C 0.999 175.687 174.600 0.146 0.000 1.021 185 S CA 0.271 58.568 58.200 0.162 0.000 1.222 185 S CB 0.813 64.157 63.200 0.239 0.000 1.171 185 S HN 0.305 nan 8.310 nan 0.000 0.669 186 G N 0.583 109.396 108.800 0.021 0.000 2.147 186 G HA2 -0.247 3.713 3.960 0.001 0.000 0.244 186 G HA3 -0.247 3.713 3.960 0.001 0.000 0.244 186 G C -0.333 174.314 174.900 -0.421 0.000 1.005 186 G CA 0.333 45.327 45.100 -0.176 0.000 0.713 186 G HN 0.598 nan 8.290 nan 0.000 0.515 187 Y N -0.774 119.508 120.300 -0.029 0.000 2.524 187 Y HA 0.725 5.275 4.550 0.001 0.000 0.347 187 Y C 0.036 175.867 175.900 -0.114 0.000 1.005 187 Y CA -1.081 56.978 58.100 -0.068 0.000 1.025 187 Y CB 1.979 40.395 38.460 -0.073 0.000 1.275 187 Y HN 0.038 nan 8.280 nan 0.000 0.460 188 E N 1.064 121.270 120.200 0.009 0.000 2.266 188 E HA 0.665 5.015 4.350 0.001 0.000 0.268 188 E C -0.400 176.116 176.600 -0.140 0.000 0.879 188 E CA -0.175 56.175 56.400 -0.082 0.000 0.762 188 E CB 2.126 31.788 29.700 -0.064 0.000 1.199 188 E HN 0.870 nan 8.360 nan 0.000 0.422 189 G N 3.519 112.192 108.800 -0.210 0.000 2.629 189 G HA2 -0.101 3.860 3.960 0.001 0.000 0.686 189 G HA3 -0.101 3.860 3.960 0.001 0.000 0.686 189 G C -2.970 171.726 174.900 -0.340 0.000 1.232 189 G CA -0.742 44.236 45.100 -0.204 0.000 0.803 189 G HN 0.361 nan 8.290 nan 0.000 0.638 190 P HA 0.315 nan 4.420 nan 0.000 0.278 190 P C 0.370 177.641 177.300 -0.048 0.000 1.258 190 P CA -0.573 62.445 63.100 -0.137 0.000 0.811 190 P CB 0.931 32.642 31.700 0.019 0.000 1.063 191 W N 0.099 121.395 121.300 -0.008 0.000 3.197 191 W HA 0.265 4.925 4.660 0.001 0.000 0.274 191 W C 0.830 177.255 176.519 -0.156 0.000 1.297 191 W CA 0.297 57.666 57.345 0.040 0.000 1.662 191 W CB 0.704 30.223 29.460 0.099 0.000 1.106 191 W HN 0.493 nan 8.180 nan 0.000 0.663 192 G N -1.390 107.338 108.800 -0.120 0.000 2.548 192 G HA2 0.413 4.373 3.960 0.001 0.000 0.301 192 G HA3 0.413 4.373 3.960 0.001 0.000 0.301 192 G C -0.020 174.641 174.900 -0.398 0.000 1.349 192 G CA 0.005 44.754 45.100 -0.586 0.000 0.792 192 G HN -0.156 nan 8.290 nan 0.000 0.481 193 A N -0.983 121.655 122.820 -0.303 0.000 1.984 193 A HA 0.616 4.937 4.320 0.001 0.000 0.214 193 A C 1.635 179.229 177.584 0.016 0.000 1.173 193 A CA 1.757 53.794 52.037 -0.000 0.000 0.673 193 A CB -0.265 18.805 19.000 0.117 0.000 0.830 193 A HN 1.891 nan 8.150 nan 0.000 0.453 194 A N 0.815 123.628 122.820 -0.012 0.000 2.774 194 A HA 0.399 4.719 4.320 0.001 0.000 0.326 194 A C 0.482 178.075 177.584 0.015 0.000 1.478 194 A CA -0.598 51.448 52.037 0.015 0.000 1.099 194 A CB -0.384 18.626 19.000 0.016 0.000 1.148 194 A HN 0.396 nan 8.150 nan 0.000 0.519 195 N N 1.707 120.429 118.700 0.036 0.000 2.270 195 N HA -0.126 4.615 4.740 0.001 0.000 0.181 195 N C 0.822 176.364 175.510 0.053 0.000 1.016 195 N CA 1.564 54.644 53.050 0.050 0.000 0.870 195 N CB 0.038 38.561 38.487 0.060 0.000 0.979 195 N HN 0.926 nan 8.380 nan 0.000 0.431 196 N N -0.197 118.538 118.700 0.059 0.000 2.234 196 N HA 0.119 4.860 4.740 0.001 0.000 0.227 196 N C -0.837 174.718 175.510 0.075 0.000 1.151 196 N CA -0.155 52.935 53.050 0.068 0.000 0.865 196 N CB 0.913 39.445 38.487 0.075 0.000 1.066 196 N HN -0.175 nan 8.380 nan 0.000 0.515 197 V N 1.572 121.530 119.914 0.073 0.000 2.483 197 V HA 0.291 4.411 4.120 0.001 0.000 0.297 197 V C -0.870 175.295 176.094 0.119 0.000 1.027 197 V CA -0.841 61.520 62.300 0.103 0.000 0.855 197 V CB 1.468 33.347 31.823 0.095 0.000 0.995 197 V HN 0.140 nan 8.190 nan 0.000 0.424 198 F N 5.640 125.584 119.950 -0.011 0.000 2.487 198 F HA 0.493 5.020 4.527 0.001 0.000 0.364 198 F C 0.885 176.790 175.800 0.176 0.000 1.126 198 F CA 0.485 58.460 58.000 -0.041 0.000 1.135 198 F CB 0.395 39.250 39.000 -0.242 0.000 1.127 198 F HN 0.733 nan 8.300 nan 0.000 0.559 199 T N 0.639 115.221 114.554 0.047 0.000 2.669 199 T HA 0.269 4.620 4.350 0.001 0.000 0.283 199 T C 0.247 175.046 174.700 0.165 0.000 1.019 199 T CA -0.662 61.580 62.100 0.236 0.000 1.039 199 T CB 1.203 70.134 68.868 0.105 0.000 1.374 199 T HN 0.558 nan 8.240 nan 0.000 0.523 200 N N -0.771 118.027 118.700 0.163 0.000 2.322 200 N HA 0.105 4.846 4.740 0.001 0.000 0.216 200 N C 1.193 176.676 175.510 -0.045 0.000 1.144 200 N CA -0.237 52.834 53.050 0.035 0.000 0.830 200 N CB 0.188 38.746 38.487 0.119 0.000 1.034 200 N HN 0.755 nan 8.380 nan 0.000 0.484 201 E N 0.940 121.091 120.200 -0.082 0.000 2.097 201 E HA -0.295 4.055 4.350 0.001 0.000 0.196 201 E C 1.315 177.842 176.600 -0.122 0.000 1.000 201 E CA 1.270 57.619 56.400 -0.085 0.000 0.804 201 E CB -0.236 29.410 29.700 -0.089 0.000 0.740 201 E HN 0.512 nan 8.360 nan 0.000 0.454 202 F N 0.143 119.836 119.950 -0.427 0.000 2.120 202 F HA -0.274 4.254 4.527 0.001 0.000 0.300 202 F C 1.453 176.974 175.800 -0.466 0.000 1.095 202 F CA 1.842 59.523 58.000 -0.532 0.000 1.249 202 F CB -0.434 38.056 39.000 -0.851 0.000 0.995 202 F HN 0.136 nan 8.300 nan 0.000 0.480 203 Y N -0.320 119.797 120.300 -0.305 0.000 2.243 203 Y HA -0.029 4.522 4.550 0.001 0.000 0.293 203 Y C 2.372 178.158 175.900 -0.191 0.000 1.124 203 Y CA 0.966 58.869 58.100 -0.328 0.000 1.159 203 Y CB -1.002 37.326 38.460 -0.219 0.000 1.008 203 Y HN -0.010 nan 8.280 nan 0.000 0.527 204 L N 0.077 121.324 121.223 0.040 0.000 2.191 204 L HA -0.227 4.114 4.340 0.001 0.000 0.212 204 L C 1.722 178.627 176.870 0.058 0.000 1.103 204 L CA 1.101 55.966 54.840 0.041 0.000 0.769 204 L CB -0.394 41.684 42.059 0.032 0.000 0.908 204 L HN 0.296 nan 8.230 nan 0.000 0.438 205 N N -0.537 118.192 118.700 0.048 0.000 2.333 205 N HA -0.075 4.666 4.740 0.001 0.000 0.178 205 N C 1.723 177.465 175.510 0.387 0.000 1.018 205 N CA 0.636 53.800 53.050 0.190 0.000 0.882 205 N CB -0.022 38.564 38.487 0.166 0.000 0.984 205 N HN 0.112 nan 8.380 nan 0.000 0.434 206 L N 0.762 122.049 121.223 0.107 0.000 2.093 206 L HA -0.057 4.283 4.340 0.001 0.000 0.208 206 L C 1.604 178.599 176.870 0.209 0.000 1.085 206 L CA 1.438 56.295 54.840 0.029 0.000 0.755 206 L CB -0.549 41.285 42.059 -0.376 0.000 0.904 206 L HN 0.164 nan 8.230 nan 0.000 0.435 207 L N -4.152 117.150 121.223 0.131 0.000 2.515 207 L HA 0.303 4.643 4.340 0.001 0.000 0.223 207 L C 1.538 178.481 176.870 0.122 0.000 1.079 207 L CA 0.734 55.641 54.840 0.112 0.000 0.857 207 L CB -1.116 40.960 42.059 0.029 0.000 1.050 207 L HN -0.014 nan 8.230 nan 0.000 0.476 208 N N 0.046 118.814 118.700 0.113 0.000 2.373 208 N HA 0.062 4.803 4.740 0.001 0.000 0.181 208 N C 0.284 175.808 175.510 0.022 0.000 1.082 208 N CA 0.306 53.394 53.050 0.063 0.000 0.885 208 N CB 0.298 38.813 38.487 0.048 0.000 0.977 208 N HN 0.493 nan 8.380 nan 0.000 0.462 209 E N 0.587 120.788 120.200 0.002 0.000 2.254 209 E HA 0.200 4.550 4.350 0.001 0.000 0.261 209 E C -0.833 175.584 176.600 -0.306 0.000 1.051 209 E CA -0.375 55.871 56.400 -0.257 0.000 0.902 209 E CB 0.926 30.259 29.700 -0.610 0.000 1.168 209 E HN -0.080 nan 8.360 nan 0.000 0.423 210 D N 0.595 120.771 120.400 -0.374 0.000 2.412 210 D HA 0.234 4.875 4.640 0.001 0.000 0.224 210 D C -1.153 175.012 176.300 -0.224 0.000 1.093 210 D CA -0.300 53.596 54.000 -0.174 0.000 0.850 210 D CB 0.303 41.045 40.800 -0.097 0.000 1.046 210 D HN 0.135 nan 8.370 nan 0.000 0.507 211 W N 3.131 124.541 121.300 0.183 0.000 2.417 211 W HA 0.425 5.085 4.660 0.001 0.000 0.317 211 W C 0.591 177.289 176.519 0.299 0.000 1.121 211 W CA -0.929 56.579 57.345 0.272 0.000 1.208 211 W CB 1.095 30.756 29.460 0.335 0.000 1.253 211 W HN 0.088 nan 8.180 nan 0.000 0.533 212 K N 3.257 123.879 120.400 0.370 0.000 2.375 212 K HA 0.505 4.825 4.320 0.001 0.000 0.249 212 K C -1.484 174.920 176.600 -0.327 0.000 0.942 212 K CA -0.839 55.447 56.287 -0.001 0.000 0.806 212 K CB 1.782 34.266 32.500 -0.026 0.000 1.227 212 K HN 0.489 nan 8.250 nan 0.000 0.430 213 L N 3.207 123.992 121.223 -0.730 0.000 2.312 213 L HA 0.476 4.817 4.340 0.001 0.000 0.281 213 L C -0.746 175.877 176.870 -0.411 0.000 1.070 213 L CA 0.168 54.473 54.840 -0.891 0.000 0.805 213 L CB 1.193 42.546 42.059 -1.177 0.000 1.174 213 L HN 0.903 nan 8.230 nan 0.000 0.434 214 E N 2.901 122.920 120.200 -0.302 0.000 2.423 214 E HA 0.352 4.702 4.350 0.001 0.000 0.280 214 E C -1.450 175.071 176.600 -0.130 0.000 1.030 214 E CA -0.735 55.562 56.400 -0.171 0.000 0.812 214 E CB 2.678 32.308 29.700 -0.116 0.000 1.313 214 E HN 0.548 nan 8.360 nan 0.000 0.456 215 K N 0.966 121.305 120.400 -0.101 0.000 2.118 215 K HA 0.373 4.694 4.320 0.001 0.000 0.254 215 K C -0.059 176.493 176.600 -0.081 0.000 0.961 215 K CA -0.616 55.618 56.287 -0.088 0.000 0.876 215 K CB 0.954 33.406 32.500 -0.081 0.000 1.077 215 K HN 0.443 nan 8.250 nan 0.000 0.440 216 N N -0.796 117.847 118.700 -0.096 0.000 2.813 216 N HA 0.184 4.924 4.740 0.001 0.000 0.320 216 N C -0.354 175.101 175.510 -0.091 0.000 1.315 216 N CA -0.774 52.221 53.050 -0.091 0.000 0.871 216 N CB 0.435 38.861 38.487 -0.102 0.000 1.241 216 N HN 0.283 nan 8.380 nan 0.000 0.602 217 D N -1.259 119.092 120.400 -0.082 0.000 2.378 217 D HA 0.051 4.692 4.640 0.001 0.000 0.222 217 D C 0.205 176.458 176.300 -0.079 0.000 0.980 217 D CA 0.790 54.748 54.000 -0.070 0.000 0.907 217 D CB -0.227 40.540 40.800 -0.055 0.000 0.899 217 D HN 0.607 nan 8.370 nan 0.000 0.527 218 A N 0.351 123.105 122.820 -0.111 0.000 2.705 218 A HA 0.159 4.480 4.320 0.001 0.000 0.294 218 A C 0.483 177.980 177.584 -0.146 0.000 1.039 218 A CA -0.450 51.515 52.037 -0.120 0.000 1.005 218 A CB -0.142 18.778 19.000 -0.134 0.000 1.192 218 A HN -0.110 nan 8.150 nan 0.000 0.513 219 N N 1.258 119.885 118.700 -0.122 0.000 2.685 219 N HA -0.165 4.575 4.740 0.001 0.000 0.251 219 N C -0.572 174.860 175.510 -0.130 0.000 1.020 219 N CA 0.871 53.855 53.050 -0.110 0.000 0.762 219 N CB -0.880 37.562 38.487 -0.076 0.000 0.958 219 N HN 0.657 nan 8.380 nan 0.000 0.539 220 N N 0.629 119.205 118.700 -0.206 0.000 2.466 220 N HA 0.246 4.987 4.740 0.001 0.000 0.294 220 N C -0.222 175.196 175.510 -0.154 0.000 1.129 220 N CA -0.265 52.641 53.050 -0.239 0.000 0.931 220 N CB 0.959 39.089 38.487 -0.596 0.000 1.193 220 N HN 0.169 nan 8.380 nan 0.000 0.500 221 E N 0.736 120.919 120.200 -0.028 0.000 2.277 221 E HA 0.273 4.623 4.350 0.001 0.000 0.274 221 E C -0.404 176.284 176.600 0.147 0.000 1.022 221 E CA -0.510 55.893 56.400 0.006 0.000 0.853 221 E CB 1.344 31.031 29.700 -0.022 0.000 1.086 221 E HN 0.473 nan 8.360 nan 0.000 0.397 222 Q N 1.145 120.980 119.800 0.060 0.000 2.482 222 Q HA 0.361 4.702 4.340 0.001 0.000 0.286 222 Q C -1.563 174.426 176.000 -0.019 0.000 1.007 222 Q CA -1.019 54.870 55.803 0.143 0.000 0.801 222 Q CB 0.953 29.850 28.738 0.266 0.000 1.455 222 Q HN 0.413 nan 8.270 nan 0.000 0.398 223 W N 1.511 122.812 121.300 0.002 0.000 2.322 223 W HA 0.437 5.098 4.660 0.001 0.000 0.307 223 W C -0.769 175.890 176.519 0.234 0.000 1.220 223 W CA 0.511 57.859 57.345 0.005 0.000 1.210 223 W CB 1.270 30.573 29.460 -0.261 0.000 1.223 223 W HN 0.634 nan 8.180 nan 0.000 0.511 224 D N 1.297 121.978 120.400 0.467 0.000 2.575 224 D HA 0.473 5.114 4.640 0.001 0.000 0.236 224 D C -0.729 175.746 176.300 0.291 0.000 1.075 224 D CA -0.642 53.609 54.000 0.419 0.000 0.860 224 D CB 2.023 42.911 40.800 0.147 0.000 1.475 224 D HN 0.109 nan 8.370 nan 0.000 0.474 225 S N -0.156 115.531 115.700 -0.022 0.000 2.704 225 S HA 0.237 4.708 4.470 0.001 0.000 0.305 225 S C 0.909 175.337 174.600 -0.286 0.000 1.107 225 S CA -0.727 57.227 58.200 -0.409 0.000 0.993 225 S CB 1.144 63.791 63.200 -0.922 0.000 1.110 225 S HN 0.577 nan 8.310 nan 0.000 0.534 226 K N 0.694 120.911 120.400 -0.305 0.000 2.155 226 K HA 0.049 4.370 4.320 0.001 0.000 0.203 226 K C 1.233 177.655 176.600 -0.297 0.000 1.052 226 K CA 1.513 57.658 56.287 -0.238 0.000 0.948 226 K CB -0.429 31.958 32.500 -0.188 0.000 0.728 226 K HN 0.355 nan 8.250 nan 0.000 0.448 227 S N 0.406 115.831 115.700 -0.458 0.000 2.603 227 S HA 0.107 4.577 4.470 0.001 0.000 0.229 227 S C 1.044 175.205 174.600 -0.732 0.000 0.972 227 S CA 0.665 58.492 58.200 -0.621 0.000 0.935 227 S CB 0.022 62.696 63.200 -0.876 0.000 0.769 227 S HN 0.739 nan 8.310 nan 0.000 0.536 228 G N 0.255 108.766 108.800 -0.482 0.000 2.141 228 G HA2 -0.247 3.714 3.960 0.001 0.000 0.242 228 G HA3 -0.247 3.714 3.960 0.001 0.000 0.242 228 G C -0.086 174.768 174.900 -0.076 0.000 0.982 228 G CA 0.006 44.955 45.100 -0.253 0.000 0.662 228 G HN 0.452 nan 8.290 nan 0.000 0.527 229 Y N -0.446 119.859 120.300 0.008 0.000 2.436 229 Y HA 0.868 5.418 4.550 0.001 0.000 0.336 229 Y C 0.626 176.679 175.900 0.257 0.000 1.318 229 Y CA -1.073 57.098 58.100 0.117 0.000 1.493 229 Y CB 0.628 39.209 38.460 0.202 0.000 1.547 229 Y HN 0.515 nan 8.280 nan 0.000 0.549 230 M N 0.270 120.175 119.600 0.510 0.000 2.578 230 M HA 0.738 5.219 4.480 0.001 0.000 0.276 230 M C -1.944 174.438 176.300 0.137 0.000 1.245 230 M CA -1.053 54.466 55.300 0.366 0.000 0.871 230 M CB 2.247 34.895 32.600 0.081 0.000 1.722 230 M HN 0.320 nan 8.290 nan 0.000 0.473 231 M N 2.459 122.077 119.600 0.030 0.000 2.378 231 M HA 0.572 5.052 4.480 0.001 0.000 0.289 231 M C -1.317 175.043 176.300 0.100 0.000 1.136 231 M CA -0.519 54.795 55.300 0.025 0.000 0.917 231 M CB 2.094 34.487 32.600 -0.346 0.000 1.669 231 M HN 0.958 nan 8.290 nan 0.000 0.461 232 L N 3.527 124.840 121.223 0.151 0.000 2.472 232 L HA 0.203 4.544 4.340 0.001 0.000 0.260 232 L C -1.239 175.718 176.870 0.146 0.000 1.209 232 L CA -1.296 53.560 54.840 0.027 0.000 0.817 232 L CB 0.186 42.242 42.059 -0.005 0.000 1.106 232 L HN 0.455 nan 8.230 nan 0.000 0.479 233 P HA -0.114 nan 4.420 nan 0.000 0.220 233 P C 1.264 178.672 177.300 0.180 0.000 1.148 233 P CA 1.108 64.348 63.100 0.235 0.000 0.803 233 P CB 0.078 31.909 31.700 0.218 0.000 0.782 234 T N -4.416 110.231 114.554 0.156 0.000 3.023 234 T HA -0.040 4.311 4.350 0.001 0.000 0.266 234 T C 1.226 176.036 174.700 0.183 0.000 1.093 234 T CA 0.948 63.159 62.100 0.185 0.000 1.129 234 T CB -0.588 68.402 68.868 0.202 0.000 0.899 234 T HN 0.014 nan 8.240 nan 0.000 0.491 235 D N 0.116 120.639 120.400 0.206 0.000 2.216 235 D HA 0.071 4.712 4.640 0.001 0.000 0.208 235 D C 1.439 177.764 176.300 0.041 0.000 0.960 235 D CA 0.553 54.710 54.000 0.262 0.000 0.861 235 D CB -0.371 40.708 40.800 0.465 0.000 0.985 235 D HN 0.426 nan 8.370 nan 0.000 0.493 236 Y N 1.707 121.894 120.300 -0.187 0.000 2.516 236 Y HA -0.106 4.445 4.550 0.001 0.000 0.291 236 Y C 2.143 177.871 175.900 -0.287 0.000 1.131 236 Y CA 0.995 58.823 58.100 -0.453 0.000 1.281 236 Y CB -0.040 37.882 38.460 -0.896 0.000 1.013 236 Y HN -0.081 nan 8.280 nan 0.000 0.554 237 S N -0.965 114.684 115.700 -0.085 0.000 2.507 237 S HA -0.133 4.338 4.470 0.001 0.000 0.235 237 S C 1.604 176.199 174.600 -0.008 0.000 0.988 237 S CA 0.884 59.073 58.200 -0.019 0.000 0.944 237 S CB -0.633 62.650 63.200 0.139 0.000 0.762 237 S HN 0.348 nan 8.310 nan 0.000 0.526 238 L N 1.597 122.767 121.223 -0.089 0.000 2.551 238 L HA 0.261 4.602 4.340 0.001 0.000 0.228 238 L C 1.770 178.571 176.870 -0.114 0.000 1.153 238 L CA 0.770 55.574 54.840 -0.061 0.000 0.851 238 L CB -0.331 41.664 42.059 -0.107 0.000 0.959 238 L HN 0.612 nan 8.230 nan 0.000 0.451 239 I N -5.297 115.082 120.570 -0.319 0.000 4.240 239 I HA 0.136 4.306 4.170 0.001 0.000 0.331 239 I C 1.327 177.238 176.117 -0.343 0.000 1.381 239 I CA 0.302 61.395 61.300 -0.346 0.000 1.136 239 I CB -0.435 37.305 38.000 -0.433 0.000 1.137 239 I HN 0.232 nan 8.210 nan 0.000 0.411 240 Q N 1.178 120.791 119.800 -0.311 0.000 2.134 240 Q HA 0.057 4.398 4.340 0.001 0.000 0.195 240 Q C 0.469 176.419 176.000 -0.084 0.000 0.958 240 Q CA 0.519 56.209 55.803 -0.188 0.000 0.840 240 Q CB 0.308 28.972 28.738 -0.124 0.000 0.918 240 Q HN 0.431 nan 8.270 nan 0.000 0.467 241 D N 2.342 122.717 120.400 -0.041 0.000 2.382 241 D HA -0.009 4.632 4.640 0.001 0.000 0.259 241 D C -1.575 174.689 176.300 -0.059 0.000 1.224 241 D CA -1.463 52.508 54.000 -0.049 0.000 0.894 241 D CB 1.288 42.048 40.800 -0.066 0.000 1.127 241 D HN 0.023 nan 8.370 nan 0.000 0.487 242 P HA -0.140 nan 4.420 nan 0.000 0.221 242 P C 1.043 178.302 177.300 -0.068 0.000 1.145 242 P CA 0.879 63.941 63.100 -0.063 0.000 0.795 242 P CB 0.525 32.192 31.700 -0.056 0.000 0.775 243 K N -1.534 118.800 120.400 -0.110 0.000 2.186 243 K HA -0.068 4.252 4.320 0.001 0.000 0.202 243 K C 2.126 178.712 176.600 -0.023 0.000 1.052 243 K CA 0.923 57.143 56.287 -0.113 0.000 0.965 243 K CB -0.176 32.202 32.500 -0.204 0.000 0.746 243 K HN 0.071 nan 8.250 nan 0.000 0.457 244 Y N 0.792 121.052 120.300 -0.067 0.000 2.420 244 Y HA -0.024 4.527 4.550 0.001 0.000 0.292 244 Y C 1.912 177.743 175.900 -0.115 0.000 1.119 244 Y CA 0.072 58.125 58.100 -0.079 0.000 1.229 244 Y CB -0.371 38.058 38.460 -0.051 0.000 1.026 244 Y HN -0.005 nan 8.280 nan 0.000 0.554 245 L N -1.319 119.928 121.223 0.040 0.000 2.083 245 L HA -0.247 4.093 4.340 0.001 0.000 0.209 245 L C 2.395 179.215 176.870 -0.083 0.000 1.083 245 L CA 1.347 56.159 54.840 -0.048 0.000 0.752 245 L CB -0.306 41.715 42.059 -0.063 0.000 0.899 245 L HN 0.118 nan 8.230 nan 0.000 0.433 246 S N -0.197 115.455 115.700 -0.080 0.000 2.383 246 S HA -0.096 4.375 4.470 0.001 0.000 0.227 246 S C 1.759 176.246 174.600 -0.189 0.000 1.026 246 S CA 1.113 59.247 58.200 -0.110 0.000 0.981 246 S CB -0.150 62.997 63.200 -0.088 0.000 0.818 246 S HN 0.371 nan 8.310 nan 0.000 0.472 247 I N 0.496 120.929 120.570 -0.227 0.000 2.546 247 I HA -0.058 4.112 4.170 0.001 0.000 0.255 247 I C 1.992 177.710 176.117 -0.664 0.000 1.163 247 I CA 0.521 61.542 61.300 -0.465 0.000 1.457 247 I CB -0.308 37.467 38.000 -0.376 0.000 1.092 247 I HN 0.123 nan 8.210 nan 0.000 0.434 248 V N 0.975 120.666 119.914 -0.372 0.000 2.323 248 V HA -0.240 3.881 4.120 0.001 0.000 0.244 248 V C 2.509 178.424 176.094 -0.299 0.000 1.041 248 V CA 1.767 63.877 62.300 -0.317 0.000 1.025 248 V CB -0.534 31.238 31.823 -0.084 0.000 0.656 248 V HN 0.327 nan 8.190 nan 0.000 0.451 249 K N -0.226 120.049 120.400 -0.208 0.000 2.147 249 K HA -0.223 4.098 4.320 0.001 0.000 0.205 249 K C 2.201 178.711 176.600 -0.150 0.000 1.049 249 K CA 1.665 57.868 56.287 -0.141 0.000 0.936 249 K CB -0.056 32.379 32.500 -0.108 0.000 0.722 249 K HN 0.579 nan 8.250 nan 0.000 0.446 250 E N -0.731 119.331 120.200 -0.230 0.000 2.072 250 E HA -0.165 4.186 4.350 0.001 0.000 0.190 250 E C 1.291 177.852 176.600 -0.066 0.000 0.982 250 E CA 0.874 57.167 56.400 -0.178 0.000 0.803 250 E CB 0.057 29.600 29.700 -0.262 0.000 0.755 250 E HN 0.288 nan 8.360 nan 0.000 0.453 251 Y N 0.043 120.161 120.300 -0.303 0.000 2.439 251 Y HA 0.117 4.668 4.550 0.001 0.000 0.292 251 Y C 2.115 177.832 175.900 -0.305 0.000 1.130 251 Y CA 0.506 58.373 58.100 -0.390 0.000 1.254 251 Y CB -0.786 37.092 38.460 -0.970 0.000 1.000 251 Y HN 0.169 nan 8.280 nan 0.000 0.554 252 A N 0.212 122.975 122.820 -0.094 0.000 1.897 252 A HA -0.173 4.148 4.320 0.001 0.000 0.215 252 A C 2.050 179.636 177.584 0.003 0.000 1.181 252 A CA 1.854 53.883 52.037 -0.013 0.000 0.620 252 A CB -0.624 18.369 19.000 -0.013 0.000 0.821 252 A HN 0.374 nan 8.150 nan 0.000 0.443 253 N N -0.478 118.219 118.700 -0.005 0.000 2.376 253 N HA 0.019 4.759 4.740 0.001 0.000 0.177 253 N C -0.453 175.063 175.510 0.010 0.000 1.024 253 N CA 0.924 53.975 53.050 0.001 0.000 0.893 253 N CB 0.212 38.695 38.487 -0.007 0.000 0.980 253 N HN 0.394 nan 8.380 nan 0.000 0.439 254 D N -0.526 119.893 120.400 0.031 0.000 2.469 254 D HA 0.125 4.766 4.640 0.001 0.000 0.251 254 D C 0.170 176.504 176.300 0.057 0.000 1.173 254 D CA -0.274 53.748 54.000 0.037 0.000 0.882 254 D CB 1.009 41.841 40.800 0.052 0.000 1.129 254 D HN -0.043 nan 8.370 nan 0.000 0.549 255 Q N 2.388 122.182 119.800 -0.010 0.000 2.123 255 Q HA -0.119 4.222 4.340 0.001 0.000 0.199 255 Q C 0.451 176.371 176.000 -0.134 0.000 0.966 255 Q CA 1.023 56.789 55.803 -0.062 0.000 0.845 255 Q CB 0.376 28.968 28.738 -0.243 0.000 0.907 255 Q HN 0.486 nan 8.270 nan 0.000 0.439 256 D N 0.454 120.783 120.400 -0.120 0.000 2.149 256 D HA -0.163 4.477 4.640 0.001 0.000 0.198 256 D C 1.709 178.045 176.300 0.060 0.000 0.990 256 D CA 1.113 55.081 54.000 -0.053 0.000 0.839 256 D CB 0.044 40.828 40.800 -0.026 0.000 0.948 256 D HN 0.070 nan 8.370 nan 0.000 0.460 257 K N 0.192 120.646 120.400 0.090 0.000 2.103 257 K HA -0.096 4.224 4.320 0.001 0.000 0.204 257 K C 1.841 178.505 176.600 0.106 0.000 1.052 257 K CA 0.520 56.888 56.287 0.136 0.000 0.945 257 K CB -0.588 32.029 32.500 0.195 0.000 0.722 257 K HN 0.073 nan 8.250 nan 0.000 0.443 258 F N 0.128 119.987 119.950 -0.151 0.000 2.113 258 F HA -0.063 4.464 4.527 0.001 0.000 0.297 258 F C 1.559 177.393 175.800 0.057 0.000 1.103 258 F CA 1.186 58.906 58.000 -0.467 0.000 1.248 258 F CB -0.623 38.129 39.000 -0.414 0.000 0.999 258 F HN -0.032 nan 8.300 nan 0.000 0.475 259 F N 1.196 120.923 119.950 -0.373 0.000 2.161 259 F HA -0.168 4.360 4.527 0.001 0.000 0.300 259 F C 2.367 178.056 175.800 -0.185 0.000 1.089 259 F CA 1.298 59.092 58.000 -0.344 0.000 1.282 259 F CB -0.910 38.006 39.000 -0.140 0.000 1.010 259 F HN -0.034 nan 8.300 nan 0.000 0.485 260 K N -0.032 120.417 120.400 0.081 0.000 2.116 260 K HA -0.081 4.239 4.320 0.001 0.000 0.203 260 K C 1.731 178.340 176.600 0.015 0.000 1.052 260 K CA 0.978 57.291 56.287 0.043 0.000 0.952 260 K CB -0.585 31.951 32.500 0.058 0.000 0.729 260 K HN 0.182 nan 8.250 nan 0.000 0.446 261 D N 0.103 120.514 120.400 0.018 0.000 2.144 261 D HA -0.121 4.520 4.640 0.001 0.000 0.200 261 D C 1.734 178.043 176.300 0.014 0.000 0.978 261 D CA 0.612 54.639 54.000 0.045 0.000 0.833 261 D CB -0.179 40.700 40.800 0.132 0.000 0.961 261 D HN 0.082 nan 8.370 nan 0.000 0.470 262 F N 2.028 121.860 119.950 -0.196 0.000 2.102 262 F HA -0.249 4.279 4.527 0.001 0.000 0.298 262 F C 2.538 178.266 175.800 -0.120 0.000 1.105 262 F CA 1.986 59.864 58.000 -0.202 0.000 1.239 262 F CB -0.241 38.484 39.000 -0.458 0.000 0.991 262 F HN -0.055 nan 8.300 nan 0.000 0.474 263 S N -0.097 115.528 115.700 -0.126 0.000 2.383 263 S HA -0.256 4.215 4.470 0.001 0.000 0.229 263 S C 1.945 176.473 174.600 -0.120 0.000 1.030 263 S CA 1.470 59.594 58.200 -0.125 0.000 1.002 263 S CB -0.689 62.477 63.200 -0.057 0.000 0.829 263 S HN 0.460 nan 8.310 nan 0.000 0.467 264 K N 1.677 122.019 120.400 -0.096 0.000 2.025 264 K HA 0.135 4.456 4.320 0.001 0.000 0.207 264 K C 2.560 179.098 176.600 -0.103 0.000 1.049 264 K CA 1.248 57.488 56.287 -0.077 0.000 0.933 264 K CB -0.540 31.937 32.500 -0.039 0.000 0.714 264 K HN 0.472 nan 8.250 nan 0.000 0.438 265 A N 0.275 123.017 122.820 -0.129 0.000 1.968 265 A HA -0.120 4.201 4.320 0.001 0.000 0.217 265 A C 1.953 179.427 177.584 -0.183 0.000 1.169 265 A CA 0.961 52.915 52.037 -0.137 0.000 0.638 265 A CB -0.506 18.425 19.000 -0.114 0.000 0.812 265 A HN 0.307 nan 8.150 nan 0.000 0.446 266 F N 0.634 120.256 119.950 -0.547 0.000 2.128 266 F HA -0.033 4.495 4.527 0.001 0.000 0.295 266 F C 2.199 177.848 175.800 -0.251 0.000 1.100 266 F CA 1.693 59.361 58.000 -0.553 0.000 1.260 266 F CB -0.293 38.112 39.000 -0.991 0.000 1.009 266 F HN 0.419 nan 8.300 nan 0.000 0.476 267 E N 0.352 120.442 120.200 -0.183 0.000 2.077 267 E HA -0.295 4.055 4.350 0.001 0.000 0.193 267 E C 2.351 178.838 176.600 -0.189 0.000 0.989 267 E CA 1.429 57.728 56.400 -0.169 0.000 0.800 267 E CB -0.252 29.392 29.700 -0.094 0.000 0.746 267 E HN 0.379 nan 8.360 nan 0.000 0.452 268 K N 0.366 120.670 120.400 -0.160 0.000 2.063 268 K HA -0.197 4.124 4.320 0.001 0.000 0.208 268 K C 2.340 178.831 176.600 -0.181 0.000 1.048 268 K CA 1.231 57.432 56.287 -0.143 0.000 0.928 268 K CB -0.188 32.252 32.500 -0.100 0.000 0.713 268 K HN 0.152 nan 8.250 nan 0.000 0.442 269 L N 1.409 122.525 121.223 -0.177 0.000 2.046 269 L HA -0.121 4.220 4.340 0.001 0.000 0.208 269 L C 1.785 178.535 176.870 -0.201 0.000 1.077 269 L CA 1.625 56.383 54.840 -0.137 0.000 0.747 269 L CB -0.282 41.739 42.059 -0.062 0.000 0.896 269 L HN 0.202 nan 8.230 nan 0.000 0.432 270 L N -1.146 119.909 121.223 -0.280 0.000 2.492 270 L HA 0.000 4.341 4.340 0.001 0.000 0.223 270 L C 1.779 178.550 176.870 -0.165 0.000 1.132 270 L CA 0.560 55.268 54.840 -0.221 0.000 0.850 270 L CB -0.427 41.476 42.059 -0.260 0.000 0.966 270 L HN 0.345 nan 8.230 nan 0.000 0.454 271 E N -0.173 119.916 120.200 -0.186 0.000 2.481 271 E HA 0.078 4.429 4.350 0.001 0.000 0.198 271 E C 0.017 176.445 176.600 -0.286 0.000 1.027 271 E CA -0.271 56.054 56.400 -0.125 0.000 0.900 271 E CB 0.318 30.012 29.700 -0.011 0.000 0.993 271 E HN 0.483 nan 8.360 nan 0.000 0.482 272 N N 0.191 118.597 118.700 -0.490 0.000 2.454 272 N HA 0.055 4.795 4.740 0.001 0.000 0.260 272 N C 0.809 175.616 175.510 -1.172 0.000 1.218 272 N CA 0.587 53.021 53.050 -1.028 0.000 0.904 272 N CB 0.764 38.458 38.487 -1.321 0.000 1.065 272 N HN 0.225 nan 8.380 nan 0.000 0.462 273 G N 2.253 110.442 108.800 -1.018 0.000 2.268 273 G HA2 -0.284 3.677 3.960 0.001 0.000 0.240 273 G HA3 -0.284 3.677 3.960 0.001 0.000 0.240 273 G C 0.189 174.963 174.900 -0.212 0.000 1.010 273 G CA -0.309 44.623 45.100 -0.281 0.000 0.618 273 G HN 0.525 nan 8.290 nan 0.000 0.516 274 I N 1.738 122.090 120.570 -0.363 0.000 2.441 274 I HA 0.471 4.642 4.170 0.001 0.000 0.287 274 I C 0.384 176.182 176.117 -0.533 0.000 1.049 274 I CA -0.015 60.983 61.300 -0.503 0.000 1.381 274 I CB 1.718 39.323 38.000 -0.657 0.000 1.409 274 I HN 0.033 nan 8.210 nan 0.000 0.523 275 T N 6.972 121.218 114.554 -0.513 0.000 2.842 275 T HA 0.480 4.831 4.350 0.001 0.000 0.308 275 T C -0.564 173.918 174.700 -0.363 0.000 1.041 275 T CA -0.391 61.518 62.100 -0.318 0.000 0.964 275 T CB -0.094 68.669 68.868 -0.174 0.000 0.972 275 T HN 0.143 nan 8.240 nan 0.000 0.460 276 F N 5.442 125.348 119.950 -0.074 0.000 2.410 276 F HA 0.445 4.973 4.527 0.001 0.000 0.348 276 F C -1.496 174.270 175.800 -0.056 0.000 1.106 276 F CA -2.156 55.801 58.000 -0.072 0.000 1.163 276 F CB 0.382 39.315 39.000 -0.111 0.000 1.129 276 F HN 0.390 nan 8.300 nan 0.000 0.516 277 P HA 0.135 nan 4.420 nan 0.000 0.274 277 P C -0.020 177.317 177.300 0.061 0.000 1.231 277 P CA -0.570 62.572 63.100 0.069 0.000 0.790 277 P CB 0.789 32.524 31.700 0.059 0.000 0.951 278 K N 1.678 122.095 120.400 0.029 0.000 2.551 278 K HA 0.005 4.326 4.320 0.001 0.000 0.204 278 K C 0.240 176.838 176.600 -0.003 0.000 1.033 278 K CA 0.398 56.688 56.287 0.005 0.000 1.187 278 K CB -0.665 31.832 32.500 -0.004 0.000 0.900 278 K HN 0.430 nan 8.250 nan 0.000 0.499 279 D N -1.715 118.692 120.400 0.011 0.000 2.479 279 D HA 0.106 4.747 4.640 0.001 0.000 0.218 279 D C -0.030 176.279 176.300 0.015 0.000 1.177 279 D CA -0.312 53.695 54.000 0.011 0.000 0.830 279 D CB 0.252 41.064 40.800 0.020 0.000 1.014 279 D HN 0.038 nan 8.370 nan 0.000 0.503 280 A N 2.265 125.089 122.820 0.006 0.000 2.302 280 A HA 0.543 4.863 4.320 0.001 0.000 0.285 280 A C -2.081 175.450 177.584 -0.087 0.000 1.105 280 A CA -1.069 50.964 52.037 -0.008 0.000 0.816 280 A CB 0.269 19.286 19.000 0.028 0.000 1.067 280 A HN 0.061 nan 8.150 nan 0.000 0.489 281 P HA 0.162 nan 4.420 nan 0.000 0.271 281 P C 0.000 177.078 177.300 -0.371 0.000 1.218 281 P CA -0.087 62.905 63.100 -0.180 0.000 0.780 281 P CB 0.728 32.371 31.700 -0.094 0.000 0.901 282 S N 2.716 118.234 115.700 -0.304 0.000 2.560 282 S HA 0.190 4.661 4.470 0.001 0.000 0.284 282 S C -1.898 172.392 174.600 -0.518 0.000 1.327 282 S CA -1.058 56.939 58.200 -0.338 0.000 1.055 282 S CB -0.796 62.275 63.200 -0.215 0.000 0.868 282 S HN 0.396 nan 8.310 nan 0.000 0.506 283 P HA -0.011 nan 4.420 nan 0.000 0.261 283 P C -0.801 176.250 177.300 -0.414 0.000 1.173 283 P CA 0.109 62.869 63.100 -0.566 0.000 0.760 283 P CB -0.072 31.391 31.700 -0.394 0.000 0.783 284 F N 3.096 122.901 119.950 -0.242 0.000 2.456 284 F HA 0.300 4.827 4.527 0.001 0.000 0.358 284 F C 1.207 176.713 175.800 -0.489 0.000 1.095 284 F CA -0.489 57.289 58.000 -0.370 0.000 1.216 284 F CB 0.052 38.812 39.000 -0.400 0.000 1.125 284 F HN 0.134 nan 8.300 nan 0.000 0.549 285 I N 4.908 125.339 120.570 -0.231 0.000 2.382 285 I HA 0.255 4.425 4.170 0.001 0.000 0.285 285 I C -0.782 175.271 176.117 -0.107 0.000 1.007 285 I CA -0.585 60.622 61.300 -0.155 0.000 1.142 285 I CB 0.756 38.712 38.000 -0.074 0.000 1.289 285 I HN 0.298 nan 8.210 nan 0.000 0.453 286 F N 4.986 125.015 119.950 0.131 0.000 2.375 286 F HA 0.374 4.901 4.527 0.001 0.000 0.333 286 F C 0.795 176.444 175.800 -0.251 0.000 1.104 286 F CA -0.568 57.368 58.000 -0.106 0.000 1.149 286 F CB 0.617 39.334 39.000 -0.472 0.000 1.190 286 F HN 0.242 nan 8.300 nan 0.000 0.533 287 K N 1.186 121.544 120.400 -0.070 0.000 2.172 287 K HA 0.312 4.633 4.320 0.001 0.000 0.276 287 K C 0.107 176.570 176.600 -0.228 0.000 1.013 287 K CA -0.616 55.618 56.287 -0.088 0.000 0.913 287 K CB 1.113 33.611 32.500 -0.003 0.000 1.055 287 K HN 0.779 nan 8.250 nan 0.000 0.461 288 T N -0.240 114.290 114.554 -0.039 0.000 2.766 288 T HA 0.040 4.391 4.350 0.001 0.000 0.295 288 T C 1.320 176.087 174.700 0.112 0.000 1.024 288 T CA -0.762 61.410 62.100 0.120 0.000 1.018 288 T CB 0.457 69.414 68.868 0.148 0.000 1.002 288 T HN 0.266 nan 8.240 nan 0.000 0.532 289 L N 0.741 122.069 121.223 0.175 0.000 2.131 289 L HA 0.010 4.351 4.340 0.001 0.000 0.210 289 L C 2.766 179.684 176.870 0.080 0.000 1.092 289 L CA 1.926 56.837 54.840 0.118 0.000 0.759 289 L CB -1.421 40.709 42.059 0.118 0.000 0.903 289 L HN 1.005 nan 8.230 nan 0.000 0.435 290 E N -0.437 119.812 120.200 0.080 0.000 2.150 290 E HA -0.219 4.132 4.350 0.001 0.000 0.193 290 E C 1.792 178.424 176.600 0.053 0.000 0.985 290 E CA 1.451 57.890 56.400 0.064 0.000 0.814 290 E CB -0.007 29.733 29.700 0.067 0.000 0.752 290 E HN 0.596 nan 8.360 nan 0.000 0.466 291 E N 0.094 120.325 120.200 0.052 0.000 2.170 291 E HA -0.033 4.318 4.350 0.001 0.000 0.191 291 E C 1.063 177.685 176.600 0.036 0.000 0.981 291 E CA 0.341 56.767 56.400 0.042 0.000 0.830 291 E CB 0.166 29.890 29.700 0.039 0.000 0.775 291 E HN 0.290 nan 8.360 nan 0.000 0.470 292 Q N 0.058 119.879 119.800 0.036 0.000 2.412 292 Q HA 0.119 4.459 4.340 0.001 0.000 0.298 292 Q C 0.444 176.463 176.000 0.033 0.000 0.938 292 Q CA 0.239 56.059 55.803 0.029 0.000 0.968 292 Q CB 0.620 29.369 28.738 0.018 0.000 1.187 292 Q HN 0.440 nan 8.270 nan 0.000 0.421 293 G N -0.256 108.564 108.800 0.034 0.000 2.640 293 G HA2 -0.283 3.677 3.960 0.001 0.000 0.226 293 G HA3 -0.283 3.677 3.960 0.001 0.000 0.226 293 G C 0.376 175.297 174.900 0.035 0.000 1.222 293 G CA -0.237 44.882 45.100 0.032 0.000 0.729 293 G HN 0.325 nan 8.290 nan 0.000 0.516 294 L N 0.000 121.247 121.223 0.040 0.000 2.949 294 L HA 0.000 4.341 4.340 0.001 0.000 0.249 294 L CA 0.000 54.866 54.840 0.043 0.000 0.813 294 L CB 0.000 42.088 42.059 0.049 0.000 0.961 294 L HN 0.000 nan 8.230 nan 0.000 0.502