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 1s6v_1_A DATA FIRST_RESID 1 DATA SEQUENCE TTPLVHVASV EKGRSYEDFQ KVYNAIALKL REDDEYDNYI GYGPVLVRLA DATA SEQUENCE WHTSGTWDKH DNTGGSYGGT YRFKKEFNDP SNAGLQNGFK FLEPIHKEFP DATA SEQUENCE WISSGDLFSL GGVTAVQEMQ GPKIPWRAGR VDTPEDTTPD NGRLPDADKD DATA SEQUENCE ADYVRTFFQR LNMNDREVVA LMGAHALGKT HLKNSGYEGP WGAANNCFTN 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 0.000 174.691 174.700 -0.015 0.000 1.109 1 T CA 0.000 62.093 62.100 -0.011 0.000 1.349 1 T CB 0.000 68.861 68.868 -0.012 0.000 0.612 2 T N 1.027 115.569 114.554 -0.019 0.000 2.843 2 T HA 0.586 4.937 4.350 0.001 0.000 0.337 2 T C -3.032 171.648 174.700 -0.034 0.000 1.754 2 T CA -0.937 61.149 62.100 -0.024 0.000 1.052 2 T CB -0.110 68.745 68.868 -0.022 0.000 1.588 2 T HN 0.337 nan 8.240 nan 0.000 0.493 3 P HA -0.063 nan 4.420 nan 0.000 0.274 3 P C -0.417 176.833 177.300 -0.083 0.000 1.164 3 P CA 0.142 63.212 63.100 -0.050 0.000 0.767 3 P CB 0.088 31.763 31.700 -0.042 0.000 0.733 4 L N 0.708 121.863 121.223 -0.113 0.000 2.416 4 L HA 0.409 4.750 4.340 0.001 0.000 0.272 4 L C 0.116 176.787 176.870 -0.332 0.000 1.161 4 L CA -0.645 54.058 54.840 -0.227 0.000 0.845 4 L CB 0.228 42.133 42.059 -0.256 0.000 1.119 4 L HN -0.006 nan 8.230 nan 0.000 0.464 5 V N 1.912 121.580 119.914 -0.409 0.000 2.656 5 V HA 0.411 4.532 4.120 0.001 0.000 0.307 5 V C -0.577 175.184 176.094 -0.554 0.000 1.051 5 V CA -0.614 61.455 62.300 -0.384 0.000 0.893 5 V CB 1.938 33.641 31.823 -0.201 0.000 0.999 5 V HN 0.626 nan 8.190 nan 0.000 0.426 6 H N 2.777 121.618 119.070 -0.382 0.000 2.762 6 H HA 0.482 5.039 4.556 0.001 0.000 0.310 6 H C -0.699 174.263 175.328 -0.609 0.000 1.004 6 H CA -0.431 55.155 56.048 -0.770 0.000 1.267 6 H CB 1.908 30.825 29.762 -1.409 0.000 1.437 6 H HN 0.377 nan 8.280 nan 0.000 0.498 7 V N 2.498 122.283 119.914 -0.214 0.000 2.465 7 V HA 0.311 4.432 4.120 0.001 0.000 0.279 7 V C 0.847 176.948 176.094 0.011 0.000 1.045 7 V CA -0.846 61.388 62.300 -0.111 0.000 0.938 7 V CB 1.128 32.934 31.823 -0.030 0.000 0.986 7 V HN 0.876 nan 8.190 nan 0.000 0.467 8 A N 4.135 126.881 122.820 -0.123 0.000 2.492 8 A HA 0.482 4.803 4.320 0.001 0.000 0.254 8 A C 0.447 178.070 177.584 0.066 0.000 1.091 8 A CA 0.218 52.228 52.037 -0.044 0.000 0.768 8 A CB 0.275 19.154 19.000 -0.203 0.000 1.028 8 A HN 0.825 nan 8.150 nan 0.000 0.498 9 S N 2.384 118.147 115.700 0.104 0.000 2.774 9 S HA 0.410 4.881 4.470 0.001 0.000 0.297 9 S C -0.834 173.843 174.600 0.129 0.000 1.143 9 S CA -0.461 57.804 58.200 0.108 0.000 1.090 9 S CB 0.898 64.164 63.200 0.110 0.000 1.019 9 S HN 1.437 nan 8.310 nan 0.000 0.482 10 V N 5.266 125.271 119.914 0.152 0.000 2.432 10 V HA 0.478 4.599 4.120 0.001 0.000 0.275 10 V C 0.321 176.543 176.094 0.214 0.000 1.043 10 V CA -0.367 62.071 62.300 0.230 0.000 0.925 10 V CB 1.069 33.057 31.823 0.275 0.000 0.985 10 V HN 0.897 nan 8.190 nan 0.000 0.466 11 E N 4.942 125.288 120.200 0.243 0.000 2.565 11 E HA -0.036 4.314 4.350 0.001 0.000 0.268 11 E C 0.205 176.866 176.600 0.101 0.000 1.000 11 E CA 0.493 56.994 56.400 0.168 0.000 0.964 11 E CB 0.327 30.146 29.700 0.198 0.000 0.955 11 E HN 0.656 nan 8.360 nan 0.000 0.459 12 K N 0.363 120.799 120.400 0.059 0.000 2.518 12 K HA -0.001 4.319 4.320 0.001 0.000 0.276 12 K C 1.234 177.820 176.600 -0.024 0.000 0.974 12 K CA 0.807 57.109 56.287 0.026 0.000 0.986 12 K CB 0.046 32.556 32.500 0.017 0.000 0.901 12 K HN 0.788 nan 8.250 nan 0.000 0.497 13 G N 1.823 110.613 108.800 -0.017 0.000 2.300 13 G HA2 -0.319 3.642 3.960 0.001 0.000 0.267 13 G HA3 -0.319 3.642 3.960 0.001 0.000 0.267 13 G C 0.028 174.862 174.900 -0.109 0.000 0.980 13 G CA 0.378 45.445 45.100 -0.056 0.000 0.635 13 G HN 0.490 nan 8.290 nan 0.000 0.552 14 R N 1.028 121.449 120.500 -0.131 0.000 2.347 14 R HA 0.539 4.880 4.340 0.001 0.000 0.304 14 R C 0.703 177.024 176.300 0.034 0.000 1.072 14 R CA 0.735 56.683 56.100 -0.252 0.000 0.980 14 R CB 1.001 31.090 30.300 -0.352 0.000 0.986 14 R HN 0.693 nan 8.270 nan 0.000 0.448 15 S N 1.427 117.124 115.700 -0.005 0.000 2.900 15 S HA 0.180 4.650 4.470 0.001 0.000 0.320 15 S C 0.938 175.640 174.600 0.170 0.000 1.130 15 S CA -0.793 57.533 58.200 0.210 0.000 0.863 15 S CB 0.397 63.684 63.200 0.145 0.000 1.295 15 S HN 0.623 nan 8.310 nan 0.000 0.596 16 Y N 1.625 121.837 120.300 -0.147 0.000 2.139 16 Y HA -0.186 4.365 4.550 0.001 0.000 0.282 16 Y C 2.019 177.858 175.900 -0.100 0.000 1.179 16 Y CA 2.651 60.467 58.100 -0.473 0.000 1.161 16 Y CB -0.497 37.683 38.460 -0.467 0.000 0.970 16 Y HN 0.774 nan 8.280 nan 0.000 0.511 17 E N 0.248 120.479 120.200 0.053 0.000 2.150 17 E HA -0.177 4.174 4.350 0.001 0.000 0.193 17 E C 1.879 178.415 176.600 -0.106 0.000 0.985 17 E CA 1.458 57.851 56.400 -0.013 0.000 0.814 17 E CB -0.281 29.452 29.700 0.055 0.000 0.752 17 E HN 0.593 nan 8.360 nan 0.000 0.466 18 D N -0.230 120.077 120.400 -0.157 0.000 2.097 18 D HA -0.122 4.519 4.640 0.001 0.000 0.195 18 D C 1.689 177.856 176.300 -0.221 0.000 0.989 18 D CA 0.980 54.835 54.000 -0.241 0.000 0.827 18 D CB -0.186 40.256 40.800 -0.597 0.000 0.966 18 D HN 0.224 nan 8.370 nan 0.000 0.456 19 F N 0.917 120.852 119.950 -0.025 0.000 2.293 19 F HA -0.128 4.400 4.527 0.001 0.000 0.300 19 F C 2.666 178.150 175.800 -0.526 0.000 1.086 19 F CA 0.534 58.451 58.000 -0.137 0.000 1.375 19 F CB -0.136 38.951 39.000 0.145 0.000 1.045 19 F HN -0.119 nan 8.300 nan 0.000 0.516 20 Q N 1.060 120.677 119.800 -0.305 0.000 2.167 20 Q HA -0.142 4.199 4.340 0.001 0.000 0.202 20 Q C 1.893 177.734 176.000 -0.265 0.000 0.970 20 Q CA 1.535 57.095 55.803 -0.405 0.000 0.855 20 Q CB -0.174 28.361 28.738 -0.339 0.000 0.911 20 Q HN 0.242 nan 8.270 nan 0.000 0.438 21 K N -0.894 119.382 120.400 -0.207 0.000 2.097 21 K HA -0.068 4.253 4.320 0.001 0.000 0.205 21 K C 1.879 178.285 176.600 -0.323 0.000 1.050 21 K CA 1.315 57.529 56.287 -0.121 0.000 0.938 21 K CB 0.065 32.591 32.500 0.044 0.000 0.718 21 K HN 0.101 nan 8.250 nan 0.000 0.442 22 V N 0.497 120.015 119.914 -0.660 0.000 2.358 22 V HA -0.257 3.864 4.120 0.001 0.000 0.246 22 V C 1.991 177.796 176.094 -0.482 0.000 1.047 22 V CA 1.581 63.331 62.300 -0.916 0.000 1.035 22 V CB -0.599 30.667 31.823 -0.929 0.000 0.658 22 V HN 0.299 nan 8.190 nan 0.000 0.452 23 Y N 1.945 121.873 120.300 -0.620 0.000 2.081 23 Y HA -0.316 4.235 4.550 0.001 0.000 0.280 23 Y C 2.573 178.293 175.900 -0.300 0.000 1.163 23 Y CA 2.293 60.065 58.100 -0.545 0.000 1.135 23 Y CB -0.261 37.725 38.460 -0.790 0.000 0.970 23 Y HN 0.282 nan 8.280 nan 0.000 0.498 24 N N 0.610 119.360 118.700 0.083 0.000 2.104 24 N HA -0.211 4.530 4.740 0.001 0.000 0.190 24 N C 1.953 177.456 175.510 -0.011 0.000 1.024 24 N CA 1.561 54.661 53.050 0.083 0.000 0.853 24 N CB -0.883 37.650 38.487 0.076 0.000 1.008 24 N HN 0.568 nan 8.380 nan 0.000 0.424 25 A N 0.748 123.549 122.820 -0.031 0.000 1.908 25 A HA -0.093 4.228 4.320 0.001 0.000 0.218 25 A C 2.316 179.870 177.584 -0.049 0.000 1.181 25 A CA 1.078 53.121 52.037 0.011 0.000 0.627 25 A CB -0.664 18.422 19.000 0.142 0.000 0.818 25 A HN 0.248 nan 8.150 nan 0.000 0.445 26 I N -0.478 120.025 120.570 -0.111 0.000 2.286 26 I HA -0.205 3.966 4.170 0.001 0.000 0.245 26 I C 2.929 179.033 176.117 -0.023 0.000 1.104 26 I CA 0.974 62.251 61.300 -0.039 0.000 1.397 26 I CB -0.275 37.642 38.000 -0.138 0.000 1.072 26 I HN 0.327 nan 8.210 nan 0.000 0.417 27 A N 0.733 123.447 122.820 -0.175 0.000 1.972 27 A HA -0.135 4.186 4.320 0.001 0.000 0.219 27 A C 2.286 179.866 177.584 -0.007 0.000 1.169 27 A CA 1.378 53.333 52.037 -0.136 0.000 0.635 27 A CB -0.750 18.132 19.000 -0.196 0.000 0.810 27 A HN 0.372 nan 8.150 nan 0.000 0.446 28 L N -0.894 120.332 121.223 0.004 0.000 2.044 28 L HA -0.141 4.199 4.340 0.001 0.000 0.205 28 L C 2.609 179.502 176.870 0.038 0.000 1.075 28 L CA 1.802 56.657 54.840 0.026 0.000 0.747 28 L CB -0.379 41.689 42.059 0.016 0.000 0.903 28 L HN 0.404 nan 8.230 nan 0.000 0.435 29 K N 0.568 120.981 120.400 0.022 0.000 2.097 29 K HA -0.170 4.151 4.320 0.001 0.000 0.206 29 K C 2.165 178.893 176.600 0.214 0.000 1.049 29 K CA 1.147 57.429 56.287 -0.008 0.000 0.933 29 K CB -0.063 32.252 32.500 -0.308 0.000 0.717 29 K HN 0.211 nan 8.250 nan 0.000 0.442 30 L N 0.399 121.812 121.223 0.318 0.000 2.127 30 L HA -0.210 4.131 4.340 0.001 0.000 0.211 30 L C 2.526 179.512 176.870 0.194 0.000 1.089 30 L CA 1.388 56.390 54.840 0.270 0.000 0.757 30 L CB -0.210 41.904 42.059 0.093 0.000 0.899 30 L HN 0.198 nan 8.230 nan 0.000 0.434 31 R N -0.515 120.065 120.500 0.135 0.000 2.075 31 R HA -0.085 4.256 4.340 0.001 0.000 0.226 31 R C 2.151 178.524 176.300 0.121 0.000 1.114 31 R CA 0.998 57.168 56.100 0.116 0.000 0.972 31 R CB -0.104 30.247 30.300 0.084 0.000 0.869 31 R HN 0.436 nan 8.270 nan 0.000 0.437 32 E N 0.652 120.913 120.200 0.102 0.000 2.047 32 E HA -0.112 4.239 4.350 0.001 0.000 0.191 32 E C 0.069 176.734 176.600 0.109 0.000 0.987 32 E CA 0.792 57.241 56.400 0.082 0.000 0.799 32 E CB 0.061 29.782 29.700 0.035 0.000 0.752 32 E HN 0.220 nan 8.360 nan 0.000 0.449 33 D N 1.705 122.194 120.400 0.149 0.000 2.767 33 D HA -0.015 4.626 4.640 0.001 0.000 0.241 33 D C -0.028 176.439 176.300 0.279 0.000 1.187 33 D CA 0.131 54.256 54.000 0.207 0.000 0.999 33 D CB 0.357 41.288 40.800 0.219 0.000 1.042 33 D HN 0.231 nan 8.370 nan 0.000 0.510 34 D N -0.614 119.894 120.400 0.180 0.000 2.349 34 D HA -0.104 4.537 4.640 0.001 0.000 0.215 34 D C 1.038 177.293 176.300 -0.076 0.000 1.016 34 D CA 0.320 54.411 54.000 0.152 0.000 0.870 34 D CB 0.129 41.058 40.800 0.215 0.000 0.917 34 D HN 0.276 nan 8.370 nan 0.000 0.524 35 E N -0.600 119.428 120.200 -0.288 0.000 2.285 35 E HA -0.115 4.236 4.350 0.001 0.000 0.194 35 E C 0.061 176.333 176.600 -0.546 0.000 0.997 35 E CA -0.146 55.700 56.400 -0.923 0.000 0.845 35 E CB -0.225 29.132 29.700 -0.571 0.000 0.782 35 E HN 0.349 nan 8.360 nan 0.000 0.491 36 Y N 2.707 122.792 120.300 -0.358 0.000 2.895 36 Y HA -0.188 4.363 4.550 0.002 0.000 0.334 36 Y C 0.357 176.066 175.900 -0.319 0.000 1.261 36 Y CA 0.489 58.349 58.100 -0.400 0.000 1.560 36 Y CB 0.128 38.077 38.460 -0.850 0.000 1.253 36 Y HN 0.003 nan 8.280 nan 0.000 0.582 37 D N 5.120 124.934 120.400 -0.977 0.000 2.737 37 D HA -0.293 4.348 4.640 0.001 0.000 0.238 37 D C -0.456 175.667 176.300 -0.295 0.000 1.157 37 D CA 1.368 54.939 54.000 -0.715 0.000 0.694 37 D CB -1.378 38.865 40.800 -0.929 0.000 1.021 37 D HN 0.836 nan 8.370 nan 0.000 0.420 38 N N 0.506 119.089 118.700 -0.195 0.000 2.725 38 N HA -0.296 4.445 4.740 0.001 0.000 0.251 38 N C 0.068 175.666 175.510 0.147 0.000 1.031 38 N CA 1.322 54.374 53.050 0.004 0.000 0.720 38 N CB -1.490 37.011 38.487 0.023 0.000 0.930 38 N HN 0.667 nan 8.380 nan 0.000 0.543 39 Y N -3.248 117.027 120.300 -0.042 0.000 4.604 39 Y HA -0.307 4.244 4.550 0.002 0.000 0.230 39 Y C 1.689 177.595 175.900 0.009 0.000 1.066 39 Y CA 0.952 59.053 58.100 0.002 0.000 1.990 39 Y CB -2.037 36.433 38.460 0.017 0.000 1.619 39 Y HN 0.443 nan 8.280 nan 0.000 0.649 40 I N -0.243 120.362 120.570 0.058 0.000 2.439 40 I HA 0.020 4.190 4.170 0.001 0.000 0.251 40 I C 1.701 177.868 176.117 0.083 0.000 1.139 40 I CA 1.366 62.703 61.300 0.062 0.000 1.438 40 I CB -0.363 37.650 38.000 0.021 0.000 1.085 40 I HN 0.540 nan 8.210 nan 0.000 0.427 41 G N -0.529 108.312 108.800 0.069 0.000 2.712 41 G HA2 -0.284 3.677 3.960 0.001 0.000 0.683 41 G HA3 -0.284 3.677 3.960 0.001 0.000 0.683 41 G C -0.290 174.720 174.900 0.183 0.000 1.320 41 G CA -0.427 44.756 45.100 0.140 0.000 0.847 41 G HN 0.118 nan 8.290 nan 0.000 0.553 42 Y N 1.590 121.933 120.300 0.072 0.000 2.529 42 Y HA 0.240 4.791 4.550 0.002 0.000 0.290 42 Y C 2.685 178.450 175.900 -0.226 0.000 1.177 42 Y CA 1.374 59.370 58.100 -0.174 0.000 1.305 42 Y CB 0.132 38.185 38.460 -0.679 0.000 1.047 42 Y HN 0.794 nan 8.280 nan 0.000 0.522 43 G N 1.436 110.242 108.800 0.010 0.000 2.459 43 G HA2 -0.233 3.728 3.960 0.001 0.000 0.217 43 G HA3 -0.233 3.728 3.960 0.001 0.000 0.217 43 G C -0.578 174.332 174.900 0.017 0.000 1.183 43 G CA 0.815 45.899 45.100 -0.026 0.000 0.776 43 G HN 0.269 nan 8.290 nan 0.000 0.552 44 P HA -0.063 nan 4.420 nan 0.000 0.215 44 P C 2.123 179.488 177.300 0.108 0.000 1.157 44 P CA 0.706 63.862 63.100 0.093 0.000 0.868 44 P CB -0.163 31.613 31.700 0.126 0.000 0.788 45 V N -0.706 119.282 119.914 0.124 0.000 2.594 45 V HA -0.183 3.937 4.120 0.001 0.000 0.253 45 V C 2.066 178.183 176.094 0.039 0.000 1.069 45 V CA 1.493 63.855 62.300 0.103 0.000 1.082 45 V CB -1.036 30.872 31.823 0.142 0.000 0.680 45 V HN 0.017 nan 8.190 nan 0.000 0.469 46 L N -1.168 120.052 121.223 -0.005 0.000 2.109 46 L HA -0.089 4.252 4.340 0.001 0.000 0.207 46 L C 2.453 179.366 176.870 0.072 0.000 1.086 46 L CA 1.133 55.953 54.840 -0.032 0.000 0.760 46 L CB -0.500 41.471 42.059 -0.146 0.000 0.910 46 L HN 0.212 nan 8.230 nan 0.000 0.437 47 V N -0.107 119.871 119.914 0.108 0.000 2.358 47 V HA -0.269 3.851 4.120 0.001 0.000 0.246 47 V C 2.642 178.913 176.094 0.296 0.000 1.047 47 V CA 1.713 64.144 62.300 0.218 0.000 1.035 47 V CB -0.636 31.265 31.823 0.129 0.000 0.658 47 V HN 0.450 nan 8.190 nan 0.000 0.452 48 R N -0.266 120.365 120.500 0.219 0.000 2.120 48 R HA -0.132 4.209 4.340 0.001 0.000 0.234 48 R C 2.316 178.701 176.300 0.142 0.000 1.123 48 R CA 1.285 57.547 56.100 0.270 0.000 0.975 48 R CB -0.244 30.137 30.300 0.135 0.000 0.866 48 R HN 0.428 nan 8.270 nan 0.000 0.446 49 L N 0.694 121.933 121.223 0.026 0.000 2.027 49 L HA -0.075 4.266 4.340 0.001 0.000 0.206 49 L C 2.193 179.051 176.870 -0.022 0.000 1.074 49 L CA 2.261 57.023 54.840 -0.130 0.000 0.745 49 L CB -1.365 40.599 42.059 -0.158 0.000 0.898 49 L HN 0.264 nan 8.230 nan 0.000 0.433 50 A N 0.210 123.118 122.820 0.148 0.000 1.908 50 A HA -0.292 4.029 4.320 0.001 0.000 0.218 50 A C 2.240 180.002 177.584 0.296 0.000 1.181 50 A CA 1.842 54.010 52.037 0.218 0.000 0.627 50 A CB -1.336 17.836 19.000 0.287 0.000 0.818 50 A HN 0.816 nan 8.150 nan 0.000 0.445 51 W N -0.129 121.318 121.300 0.245 0.000 2.379 51 W HA -0.180 4.481 4.660 0.002 0.000 0.307 51 W C 1.849 178.532 176.519 0.273 0.000 1.200 51 W CA 1.681 59.203 57.345 0.295 0.000 1.297 51 W CB -0.692 28.995 29.460 0.378 0.000 1.140 51 W HN 0.571 nan 8.180 nan 0.000 0.507 52 H N 0.367 119.222 119.070 -0.358 0.000 2.423 52 H HA -0.132 4.425 4.556 0.001 0.000 0.297 52 H C 2.433 177.559 175.328 -0.337 0.000 1.075 52 H CA 1.974 57.663 56.048 -0.599 0.000 1.342 52 H CB 0.100 29.608 29.762 -0.424 0.000 1.395 52 H HN 0.207 nan 8.280 nan 0.000 0.530 53 T N -2.458 112.040 114.554 -0.093 0.000 2.985 53 T HA -0.010 4.340 4.350 0.001 0.000 0.266 53 T C 2.143 176.875 174.700 0.053 0.000 1.076 53 T CA 0.908 62.987 62.100 -0.036 0.000 1.135 53 T CB -0.009 68.834 68.868 -0.041 0.000 0.890 53 T HN 0.052 nan 8.240 nan 0.000 0.480 54 S N 1.205 116.945 115.700 0.066 0.000 2.439 54 S HA 0.232 4.703 4.470 0.001 0.000 0.224 54 S C 2.288 176.960 174.600 0.121 0.000 1.029 54 S CA 0.470 58.733 58.200 0.106 0.000 0.946 54 S CB -0.602 62.677 63.200 0.132 0.000 0.797 54 S HN 0.702 nan 8.310 nan 0.000 0.504 55 G N 1.919 110.709 108.800 -0.016 0.000 2.653 55 G HA2 -0.130 3.831 3.960 0.001 0.000 0.212 55 G HA3 -0.130 3.831 3.960 0.001 0.000 0.212 55 G C 1.304 176.184 174.900 -0.033 0.000 1.138 55 G CA 1.343 46.378 45.100 -0.108 0.000 0.782 55 G HN 0.613 nan 8.290 nan 0.000 0.535 56 T N -3.736 110.826 114.554 0.014 0.000 3.148 56 T HA -0.011 4.340 4.350 0.001 0.000 0.253 56 T C 0.851 175.644 174.700 0.156 0.000 1.134 56 T CA -0.609 61.525 62.100 0.057 0.000 1.051 56 T CB -0.086 68.823 68.868 0.070 0.000 0.959 56 T HN 0.220 nan 8.240 nan 0.000 0.525 57 W N 3.121 124.418 121.300 -0.005 0.000 2.223 57 W HA 0.380 5.041 4.660 0.001 0.000 0.334 57 W C -0.521 175.968 176.519 -0.050 0.000 1.334 57 W CA -0.578 56.766 57.345 -0.002 0.000 1.246 57 W CB 0.339 29.809 29.460 0.017 0.000 1.184 57 W HN 0.026 nan 8.180 nan 0.000 0.563 58 D N 5.720 125.752 120.400 -0.615 0.000 2.462 58 D HA 0.055 4.695 4.640 0.001 0.000 0.245 58 D C 0.981 176.495 176.300 -1.309 0.000 1.122 58 D CA -0.356 53.205 54.000 -0.731 0.000 0.864 58 D CB 1.214 41.820 40.800 -0.322 0.000 1.098 58 D HN 0.627 nan 8.370 nan 0.000 0.541 59 K N 2.775 122.162 120.400 -1.687 0.000 2.442 59 K HA -0.151 4.170 4.320 0.001 0.000 0.198 59 K C 0.442 176.581 176.600 -0.768 0.000 1.044 59 K CA 1.150 56.472 56.287 -1.608 0.000 0.948 59 K CB -0.146 31.624 32.500 -1.216 0.000 0.762 59 K HN 0.462 nan 8.250 nan 0.000 0.472 60 H N 0.880 119.689 119.070 -0.434 0.000 2.482 60 H HA -0.015 4.542 4.556 0.001 0.000 0.286 60 H C 0.582 175.804 175.328 -0.178 0.000 1.017 60 H CA 1.175 57.078 56.048 -0.241 0.000 1.322 60 H CB 0.263 29.909 29.762 -0.192 0.000 1.426 60 H HN 0.606 nan 8.280 nan 0.000 0.546 61 D N -1.811 118.529 120.400 -0.100 0.000 2.538 61 D HA 0.000 4.641 4.640 0.001 0.000 0.241 61 D C 0.009 176.280 176.300 -0.048 0.000 1.297 61 D CA -0.330 53.636 54.000 -0.056 0.000 0.804 61 D CB -0.540 40.242 40.800 -0.030 0.000 1.122 61 D HN 0.049 nan 8.370 nan 0.000 0.519 62 N N 0.625 119.271 118.700 -0.090 0.000 2.735 62 N HA -0.182 4.559 4.740 0.001 0.000 0.248 62 N C -0.778 174.860 175.510 0.214 0.000 1.083 62 N CA 1.324 54.454 53.050 0.133 0.000 0.703 62 N CB -1.620 36.967 38.487 0.167 0.000 1.005 62 N HN 0.600 nan 8.380 nan 0.000 0.550 63 T N -3.010 111.602 114.554 0.097 0.000 2.918 63 T HA 0.713 5.064 4.350 0.001 0.000 0.283 63 T C 1.242 176.096 174.700 0.256 0.000 1.001 63 T CA 0.130 62.331 62.100 0.167 0.000 1.041 63 T CB 1.675 70.589 68.868 0.077 0.000 1.028 63 T HN 1.062 nan 8.240 nan 0.000 0.511 64 G N 0.173 109.126 108.800 0.256 0.000 2.598 64 G HA2 0.344 4.304 3.960 0.001 0.000 0.244 64 G HA3 0.344 4.304 3.960 0.001 0.000 0.244 64 G C 0.347 175.453 174.900 0.344 0.000 1.302 64 G CA 0.050 45.308 45.100 0.264 0.000 0.903 64 G HN 2.763 nan 8.290 nan 0.000 0.575 65 G N -2.924 106.053 108.800 0.296 0.000 2.712 65 G HA2 0.329 4.289 3.960 0.001 0.000 0.683 65 G HA3 0.329 4.289 3.960 0.001 0.000 0.683 65 G C 1.133 176.116 174.900 0.139 0.000 1.320 65 G CA 1.101 46.311 45.100 0.184 0.000 0.847 65 G HN 2.477 nan 8.290 nan 0.000 0.553 66 S N -1.135 114.617 115.700 0.087 0.000 2.489 66 S HA -0.048 4.423 4.470 0.001 0.000 0.228 66 S C 1.853 176.523 174.600 0.116 0.000 0.995 66 S CA 1.681 59.956 58.200 0.125 0.000 0.934 66 S CB -0.263 62.996 63.200 0.098 0.000 0.771 66 S HN 1.310 nan 8.310 nan 0.000 0.522 67 Y N 2.996 123.254 120.300 -0.069 0.000 2.014 67 Y HA -0.095 4.456 4.550 0.001 0.000 0.272 67 Y C 2.497 178.339 175.900 -0.098 0.000 1.164 67 Y CA 1.796 59.811 58.100 -0.142 0.000 1.114 67 Y CB -1.074 37.187 38.460 -0.332 0.000 0.961 67 Y HN 0.333 nan 8.280 nan 0.000 0.489 68 G N -1.495 107.325 108.800 0.032 0.000 2.598 68 G HA2 0.090 4.051 3.960 0.001 0.000 0.215 68 G HA3 0.090 4.051 3.960 0.001 0.000 0.215 68 G C 1.341 176.290 174.900 0.083 0.000 1.131 68 G CA 0.495 45.606 45.100 0.019 0.000 0.785 68 G HN 1.026 nan 8.290 nan 0.000 0.539 69 G N 0.241 109.128 108.800 0.145 0.000 2.258 69 G HA2 -0.323 3.638 3.960 0.001 0.000 0.274 69 G HA3 -0.323 3.638 3.960 0.001 0.000 0.274 69 G C 1.212 176.332 174.900 0.366 0.000 1.021 69 G CA 1.508 46.775 45.100 0.279 0.000 0.798 69 G HN 1.179 nan 8.290 nan 0.000 0.507 70 T N -3.242 111.526 114.554 0.355 0.000 3.077 70 T HA -0.134 4.217 4.350 0.001 0.000 0.269 70 T C 1.768 176.680 174.700 0.355 0.000 1.146 70 T CA 1.455 63.812 62.100 0.430 0.000 1.091 70 T CB -0.182 68.944 68.868 0.430 0.000 0.892 70 T HN 0.776 nan 8.240 nan 0.000 0.533 71 Y N 3.280 123.697 120.300 0.195 0.000 2.483 71 Y HA -0.090 4.461 4.550 0.002 0.000 0.291 71 Y C 2.385 178.274 175.900 -0.019 0.000 1.143 71 Y CA 0.988 59.120 58.100 0.054 0.000 1.289 71 Y CB -0.335 38.032 38.460 -0.154 0.000 0.983 71 Y HN 0.346 nan 8.280 nan 0.000 0.556 72 R N -1.050 119.396 120.500 -0.090 0.000 2.280 72 R HA -0.044 4.297 4.340 0.001 0.000 0.207 72 R C -0.455 175.493 176.300 -0.586 0.000 1.043 72 R CA 0.334 56.191 56.100 -0.405 0.000 1.006 72 R CB -0.741 29.444 30.300 -0.193 0.000 0.885 72 R HN 0.177 nan 8.270 nan 0.000 0.467 73 F N 1.870 121.746 119.950 -0.124 0.000 2.379 73 F HA 0.249 4.777 4.527 0.002 0.000 0.332 73 F C 1.607 177.331 175.800 -0.128 0.000 1.096 73 F CA -1.301 56.633 58.000 -0.111 0.000 1.105 73 F CB 1.167 40.154 39.000 -0.022 0.000 1.189 73 F HN -0.250 nan 8.300 nan 0.000 0.515 74 K N 1.849 122.300 120.400 0.085 0.000 2.044 74 K HA -0.338 3.983 4.320 0.001 0.000 0.224 74 K C 2.058 178.719 176.600 0.101 0.000 1.056 74 K CA 2.381 58.696 56.287 0.047 0.000 0.962 74 K CB -0.228 32.299 32.500 0.045 0.000 0.730 74 K HN 0.592 nan 8.250 nan 0.000 0.453 75 K N 1.257 121.717 120.400 0.100 0.000 2.034 75 K HA -0.201 4.120 4.320 0.001 0.000 0.214 75 K C 2.116 178.776 176.600 0.099 0.000 1.051 75 K CA 2.498 58.838 56.287 0.087 0.000 0.931 75 K CB -0.505 32.038 32.500 0.070 0.000 0.715 75 K HN 0.476 nan 8.250 nan 0.000 0.446 76 E N -1.523 118.752 120.200 0.126 0.000 2.112 76 E HA -0.110 4.241 4.350 0.001 0.000 0.190 76 E C 1.912 178.580 176.600 0.115 0.000 0.979 76 E CA 0.548 57.034 56.400 0.143 0.000 0.814 76 E CB -0.296 29.526 29.700 0.203 0.000 0.762 76 E HN 0.332 nan 8.360 nan 0.000 0.460 77 F N 2.069 121.879 119.950 -0.232 0.000 2.120 77 F HA -0.161 4.368 4.527 0.002 0.000 0.300 77 F C 1.580 177.288 175.800 -0.153 0.000 1.095 77 F CA 1.474 59.184 58.000 -0.484 0.000 1.249 77 F CB 0.045 38.693 39.000 -0.588 0.000 0.995 77 F HN 0.040 nan 8.300 nan 0.000 0.480 78 N N 0.534 119.267 118.700 0.055 0.000 2.268 78 N HA -0.046 4.695 4.740 0.001 0.000 0.204 78 N C -0.394 175.129 175.510 0.022 0.000 1.124 78 N CA 0.111 53.171 53.050 0.017 0.000 0.838 78 N CB -0.461 38.073 38.487 0.079 0.000 0.994 78 N HN 0.268 nan 8.380 nan 0.000 0.489 79 D N 2.379 122.803 120.400 0.040 0.000 2.450 79 D HA -0.002 4.639 4.640 0.001 0.000 0.247 79 D C -1.184 175.141 176.300 0.041 0.000 1.162 79 D CA -1.540 52.491 54.000 0.051 0.000 0.879 79 D CB 1.357 42.200 40.800 0.073 0.000 1.163 79 D HN 0.093 nan 8.370 nan 0.000 0.472 80 P HA -0.114 nan 4.420 nan 0.000 0.219 80 P C 1.064 178.404 177.300 0.066 0.000 1.146 80 P CA 0.631 63.754 63.100 0.040 0.000 0.808 80 P CB 0.216 31.938 31.700 0.037 0.000 0.779 81 S N -0.034 115.714 115.700 0.080 0.000 2.469 81 S HA -0.056 4.415 4.470 0.001 0.000 0.238 81 S C 1.366 176.107 174.600 0.236 0.000 0.998 81 S CA 0.872 59.150 58.200 0.130 0.000 0.957 81 S CB -0.697 62.530 63.200 0.045 0.000 0.764 81 S HN 0.239 nan 8.310 nan 0.000 0.514 82 N N 1.334 120.125 118.700 0.153 0.000 2.235 82 N HA 0.291 5.032 4.740 0.001 0.000 0.209 82 N C -0.048 175.460 175.510 -0.004 0.000 1.122 82 N CA -0.038 53.077 53.050 0.110 0.000 0.845 82 N CB 0.180 38.752 38.487 0.142 0.000 1.004 82 N HN 0.290 nan 8.380 nan 0.000 0.499 83 A N 0.062 122.888 122.820 0.012 0.000 2.545 83 A HA 0.427 4.748 4.320 0.001 0.000 0.253 83 A C 1.482 179.047 177.584 -0.032 0.000 1.074 83 A CA 0.927 52.952 52.037 -0.020 0.000 0.760 83 A CB -0.438 18.568 19.000 0.010 0.000 1.005 83 A HN 0.464 nan 8.150 nan 0.000 0.506 84 G N 1.351 110.117 108.800 -0.057 0.000 2.254 84 G HA2 -0.245 3.716 3.960 0.001 0.000 0.225 84 G HA3 -0.245 3.716 3.960 0.001 0.000 0.225 84 G C 0.855 175.737 174.900 -0.031 0.000 1.003 84 G CA 0.282 45.353 45.100 -0.048 0.000 0.622 84 G HN 0.749 nan 8.290 nan 0.000 0.507 85 L N 0.714 121.897 121.223 -0.066 0.000 2.362 85 L HA -0.022 4.319 4.340 0.001 0.000 0.219 85 L C 2.853 179.754 176.870 0.052 0.000 1.134 85 L CA 1.586 56.389 54.840 -0.062 0.000 0.807 85 L CB -0.293 41.656 42.059 -0.183 0.000 0.927 85 L HN 0.319 nan 8.230 nan 0.000 0.447 86 Q N -0.214 119.579 119.800 -0.012 0.000 2.234 86 Q HA -0.180 4.161 4.340 0.001 0.000 0.206 86 Q C 1.908 178.056 176.000 0.248 0.000 0.980 86 Q CA 1.207 57.057 55.803 0.078 0.000 0.869 86 Q CB -0.229 28.483 28.738 -0.042 0.000 0.912 86 Q HN 0.455 nan 8.270 nan 0.000 0.436 87 N N -0.267 118.533 118.700 0.168 0.000 2.106 87 N HA -0.093 4.648 4.740 0.001 0.000 0.188 87 N C 1.788 177.416 175.510 0.195 0.000 1.029 87 N CA 1.513 54.674 53.050 0.186 0.000 0.848 87 N CB -0.620 37.955 38.487 0.148 0.000 1.007 87 N HN 0.404 nan 8.380 nan 0.000 0.423 88 G N 0.123 109.017 108.800 0.157 0.000 2.408 88 G HA2 -0.222 3.739 3.960 0.001 0.000 0.217 88 G HA3 -0.222 3.739 3.960 0.001 0.000 0.217 88 G C 1.405 176.440 174.900 0.225 0.000 1.150 88 G CA 0.130 45.301 45.100 0.119 0.000 0.776 88 G HN 0.243 nan 8.290 nan 0.000 0.542 89 F N 1.672 121.723 119.950 0.169 0.000 2.102 89 F HA 0.005 4.533 4.527 0.001 0.000 0.298 89 F C 2.663 178.592 175.800 0.215 0.000 1.105 89 F CA 1.762 59.931 58.000 0.281 0.000 1.239 89 F CB -0.130 39.160 39.000 0.484 0.000 0.991 89 F HN 0.042 nan 8.300 nan 0.000 0.474 90 K N -0.775 119.753 120.400 0.212 0.000 2.097 90 K HA -0.219 4.102 4.320 0.001 0.000 0.206 90 K C 2.122 178.661 176.600 -0.102 0.000 1.049 90 K CA 1.777 58.082 56.287 0.029 0.000 0.933 90 K CB -0.685 31.886 32.500 0.117 0.000 0.717 90 K HN 0.359 nan 8.250 nan 0.000 0.442 91 F N 1.606 121.393 119.950 -0.271 0.000 2.126 91 F HA -0.178 4.350 4.527 0.001 0.000 0.299 91 F C 1.654 177.263 175.800 -0.318 0.000 1.096 91 F CA 1.365 59.082 58.000 -0.472 0.000 1.255 91 F CB 0.001 38.558 39.000 -0.738 0.000 0.997 91 F HN -0.106 nan 8.300 nan 0.000 0.479 92 L N 0.048 121.280 121.223 0.014 0.000 2.395 92 L HA -0.096 4.244 4.340 0.001 0.000 0.218 92 L C 2.456 179.207 176.870 -0.198 0.000 1.130 92 L CA 0.700 55.508 54.840 -0.053 0.000 0.826 92 L CB -0.822 41.285 42.059 0.080 0.000 0.941 92 L HN 0.229 nan 8.230 nan 0.000 0.451 93 E N 1.773 121.798 120.200 -0.292 0.000 2.048 93 E HA -0.239 4.112 4.350 0.001 0.000 0.202 93 E C -0.591 175.897 176.600 -0.186 0.000 1.021 93 E CA 2.202 58.436 56.400 -0.277 0.000 0.825 93 E CB -1.176 28.350 29.700 -0.290 0.000 0.756 93 E HN 0.289 nan 8.360 nan 0.000 0.454 94 P HA -0.153 nan 4.420 nan 0.000 0.218 94 P C 1.877 179.083 177.300 -0.158 0.000 1.148 94 P CA 1.079 64.062 63.100 -0.195 0.000 0.822 94 P CB -0.203 31.352 31.700 -0.241 0.000 0.784 95 I N -0.299 120.174 120.570 -0.161 0.000 2.179 95 I HA -0.223 3.948 4.170 0.001 0.000 0.242 95 I C 2.653 178.798 176.117 0.045 0.000 1.088 95 I CA 1.632 62.900 61.300 -0.054 0.000 1.357 95 I CB -1.844 36.093 38.000 -0.104 0.000 1.051 95 I HN 0.129 nan 8.210 nan 0.000 0.409 96 H N 0.802 119.787 119.070 -0.142 0.000 2.423 96 H HA -0.183 4.374 4.556 0.002 0.000 0.297 96 H C 2.357 177.587 175.328 -0.164 0.000 1.075 96 H CA 1.314 57.262 56.048 -0.167 0.000 1.342 96 H CB 0.348 29.994 29.762 -0.193 0.000 1.395 96 H HN 0.169 nan 8.280 nan 0.000 0.530 97 K N 0.674 121.041 120.400 -0.054 0.000 2.097 97 K HA -0.158 4.163 4.320 0.001 0.000 0.205 97 K C 2.119 178.616 176.600 -0.172 0.000 1.050 97 K CA 1.443 57.648 56.287 -0.137 0.000 0.938 97 K CB 0.103 32.520 32.500 -0.138 0.000 0.718 97 K HN 0.331 nan 8.250 nan 0.000 0.442 98 E N -0.753 119.318 120.200 -0.216 0.000 2.208 98 E HA -0.096 4.255 4.350 0.001 0.000 0.193 98 E C -0.501 175.703 176.600 -0.660 0.000 0.988 98 E CA 0.625 56.753 56.400 -0.454 0.000 0.828 98 E CB 0.268 29.617 29.700 -0.584 0.000 0.763 98 E HN 0.198 nan 8.360 nan 0.000 0.478 99 F N -0.355 119.463 119.950 -0.219 0.000 2.622 99 F HA 0.318 4.846 4.527 0.001 0.000 0.338 99 F C -2.120 173.339 175.800 -0.568 0.000 1.334 99 F CA -2.022 55.698 58.000 -0.468 0.000 1.179 99 F CB 1.579 40.162 39.000 -0.697 0.000 1.471 99 F HN -0.060 nan 8.300 nan 0.000 0.576 100 P HA -0.179 nan 4.420 nan 0.000 0.221 100 P C 1.589 178.863 177.300 -0.044 0.000 1.145 100 P CA 1.382 64.404 63.100 -0.130 0.000 0.795 100 P CB -0.053 31.611 31.700 -0.059 0.000 0.775 101 W N -1.175 120.179 121.300 0.091 0.000 2.584 101 W HA 0.171 4.831 4.660 0.001 0.000 0.264 101 W C 0.631 177.221 176.519 0.118 0.000 1.264 101 W CA -0.328 57.063 57.345 0.077 0.000 1.306 101 W CB -1.322 28.165 29.460 0.045 0.000 1.110 101 W HN -0.075 nan 8.180 nan 0.000 0.606 102 I N 3.912 124.265 120.570 -0.363 0.000 2.529 102 I HA 0.007 4.177 4.170 0.001 0.000 0.284 102 I C 1.153 177.295 176.117 0.042 0.000 1.082 102 I CA -0.032 61.155 61.300 -0.189 0.000 1.406 102 I CB 1.043 38.664 38.000 -0.631 0.000 1.405 102 I HN -0.112 nan 8.210 nan 0.000 0.548 103 S N 4.323 120.075 115.700 0.086 0.000 2.584 103 S HA 0.117 4.588 4.470 0.001 0.000 0.270 103 S C 1.009 175.497 174.600 -0.188 0.000 1.346 103 S CA -0.424 57.782 58.200 0.011 0.000 1.018 103 S CB 1.545 64.739 63.200 -0.010 0.000 0.899 103 S HN 0.730 nan 8.310 nan 0.000 0.542 104 S N 1.959 117.524 115.700 -0.226 0.000 2.356 104 S HA -0.003 4.468 4.470 0.001 0.000 0.223 104 S C 2.143 176.217 174.600 -0.875 0.000 1.032 104 S CA 1.305 59.143 58.200 -0.603 0.000 1.005 104 S CB -1.169 61.818 63.200 -0.355 0.000 0.867 104 S HN 0.956 nan 8.310 nan 0.000 0.449 105 G N 1.306 109.880 108.800 -0.377 0.000 2.422 105 G HA2 -0.203 3.758 3.960 0.001 0.000 0.218 105 G HA3 -0.203 3.758 3.960 0.001 0.000 0.218 105 G C 1.044 175.915 174.900 -0.048 0.000 1.146 105 G CA 0.912 45.928 45.100 -0.141 0.000 0.769 105 G HN 0.365 nan 8.290 nan 0.000 0.547 106 D N -0.169 120.216 120.400 -0.025 0.000 2.144 106 D HA -0.067 4.574 4.640 0.001 0.000 0.200 106 D C 2.348 178.691 176.300 0.072 0.000 0.978 106 D CA 0.394 54.540 54.000 0.244 0.000 0.833 106 D CB -0.136 40.878 40.800 0.356 0.000 0.961 106 D HN 0.242 nan 8.370 nan 0.000 0.470 107 L N -0.141 120.938 121.223 -0.242 0.000 2.072 107 L HA -0.068 4.273 4.340 0.001 0.000 0.205 107 L C 1.828 178.614 176.870 -0.140 0.000 1.079 107 L CA 1.402 56.039 54.840 -0.339 0.000 0.752 107 L CB -0.647 41.040 42.059 -0.620 0.000 0.906 107 L HN -0.123 nan 8.230 nan 0.000 0.436 108 F N 0.036 119.971 119.950 -0.025 0.000 2.134 108 F HA -0.177 4.351 4.527 0.001 0.000 0.299 108 F C 2.926 178.738 175.800 0.019 0.000 1.097 108 F CA 1.197 59.206 58.000 0.014 0.000 1.264 108 F CB -1.843 37.191 39.000 0.056 0.000 1.001 108 F HN 0.338 nan 8.300 nan 0.000 0.479 109 S N 0.227 116.073 115.700 0.243 0.000 2.383 109 S HA -0.135 4.336 4.470 0.001 0.000 0.227 109 S C 2.001 176.634 174.600 0.056 0.000 1.026 109 S CA 0.903 59.229 58.200 0.210 0.000 0.981 109 S CB -1.011 62.410 63.200 0.369 0.000 0.818 109 S HN 0.258 nan 8.310 nan 0.000 0.472 110 L N 2.829 123.951 121.223 -0.167 0.000 2.141 110 L HA 0.229 4.569 4.340 0.001 0.000 0.209 110 L C 2.363 179.056 176.870 -0.294 0.000 1.094 110 L CA 1.709 56.199 54.840 -0.584 0.000 0.763 110 L CB -1.467 40.063 42.059 -0.881 0.000 0.908 110 L HN 0.394 nan 8.230 nan 0.000 0.437 111 G N -0.910 107.803 108.800 -0.145 0.000 2.440 111 G HA2 -0.229 3.732 3.960 0.001 0.000 0.218 111 G HA3 -0.229 3.732 3.960 0.001 0.000 0.218 111 G C 1.511 176.391 174.900 -0.034 0.000 1.154 111 G CA 0.599 45.644 45.100 -0.092 0.000 0.767 111 G HN 0.574 nan 8.290 nan 0.000 0.552 112 G N 0.264 109.114 108.800 0.084 0.000 2.402 112 G HA2 -0.105 3.856 3.960 0.001 0.000 0.216 112 G HA3 -0.105 3.856 3.960 0.001 0.000 0.216 112 G C 1.780 176.852 174.900 0.286 0.000 1.162 112 G CA 1.139 46.387 45.100 0.248 0.000 0.777 112 G HN 0.316 nan 8.290 nan 0.000 0.539 113 V N 1.025 121.067 119.914 0.214 0.000 2.295 113 V HA -0.190 3.931 4.120 0.001 0.000 0.246 113 V C 3.171 179.327 176.094 0.104 0.000 1.049 113 V CA 2.394 64.828 62.300 0.224 0.000 1.024 113 V CB -0.943 30.980 31.823 0.166 0.000 0.648 113 V HN 0.382 nan 8.190 nan 0.000 0.447 114 T N 0.366 114.871 114.554 -0.082 0.000 2.746 114 T HA -0.164 4.187 4.350 0.001 0.000 0.267 114 T C 2.053 176.608 174.700 -0.241 0.000 1.039 114 T CA 1.638 63.517 62.100 -0.368 0.000 1.142 114 T CB -0.448 67.985 68.868 -0.725 0.000 0.866 114 T HN 0.571 nan 8.240 nan 0.000 0.444 115 A N 0.897 123.628 122.820 -0.147 0.000 1.902 115 A HA -0.045 4.276 4.320 0.001 0.000 0.217 115 A C 2.587 180.127 177.584 -0.074 0.000 1.181 115 A CA 1.323 53.297 52.037 -0.104 0.000 0.623 115 A CB -0.991 17.966 19.000 -0.071 0.000 0.818 115 A HN 0.356 nan 8.150 nan 0.000 0.443 116 V N -0.023 119.844 119.914 -0.079 0.000 2.295 116 V HA -0.310 3.811 4.120 0.001 0.000 0.246 116 V C 2.666 178.609 176.094 -0.253 0.000 1.049 116 V CA 2.254 64.408 62.300 -0.244 0.000 1.024 116 V CB -0.884 30.726 31.823 -0.355 0.000 0.648 116 V HN 0.636 nan 8.190 nan 0.000 0.447 117 Q N -0.592 119.147 119.800 -0.102 0.000 2.079 117 Q HA -0.184 4.157 4.340 0.001 0.000 0.200 117 Q C 2.198 178.211 176.000 0.022 0.000 0.974 117 Q CA 1.233 57.029 55.803 -0.012 0.000 0.840 117 Q CB -0.174 28.678 28.738 0.190 0.000 0.898 117 Q HN 0.579 nan 8.270 nan 0.000 0.430 118 E N 0.060 120.262 120.200 0.004 0.000 2.418 118 E HA -0.047 4.303 4.350 0.001 0.000 0.197 118 E C 1.124 177.737 176.600 0.022 0.000 1.026 118 E CA 0.687 57.096 56.400 0.015 0.000 0.862 118 E CB 0.107 29.778 29.700 -0.048 0.000 0.799 118 E HN 0.441 nan 8.360 nan 0.000 0.518 119 M N -0.063 119.540 119.600 0.006 0.000 2.549 119 M HA 0.068 4.549 4.480 0.001 0.000 0.273 119 M C -0.367 175.979 176.300 0.078 0.000 1.213 119 M CA 0.162 55.492 55.300 0.050 0.000 0.976 119 M CB 0.195 32.835 32.600 0.068 0.000 1.457 119 M HN -0.100 nan 8.290 nan 0.000 0.485 120 Q N -1.143 118.688 119.800 0.053 0.000 2.489 120 Q HA -0.139 4.202 4.340 0.001 0.000 0.259 120 Q C 0.453 176.509 176.000 0.095 0.000 0.934 120 Q CA 0.423 56.283 55.803 0.096 0.000 1.131 120 Q CB -2.265 26.559 28.738 0.144 0.000 1.472 120 Q HN 0.738 nan 8.270 nan 0.000 0.560 121 G N 0.994 109.678 108.800 -0.193 0.000 2.510 121 G HA2 0.566 4.527 3.960 0.001 0.000 0.280 121 G HA3 0.566 4.527 3.960 0.001 0.000 0.280 121 G C -2.245 172.243 174.900 -0.687 0.000 1.386 121 G CA -0.786 43.838 45.100 -0.793 0.000 1.047 121 G HN 0.063 nan 8.290 nan 0.000 0.527 122 P HA 0.215 nan 4.420 nan 0.000 0.274 122 P C -0.725 176.436 177.300 -0.233 0.000 1.237 122 P CA -0.451 62.389 63.100 -0.434 0.000 0.793 122 P CB 0.962 32.378 31.700 -0.474 0.000 0.977 123 K N 1.746 122.111 120.400 -0.058 0.000 2.350 123 K HA 0.279 4.600 4.320 0.001 0.000 0.279 123 K C 0.161 176.771 176.600 0.018 0.000 1.027 123 K CA -0.207 56.083 56.287 0.005 0.000 0.969 123 K CB 0.131 32.649 32.500 0.029 0.000 0.954 123 K HN 0.417 nan 8.250 nan 0.000 0.474 124 I N 5.881 126.502 120.570 0.084 0.000 2.390 124 I HA 0.195 4.366 4.170 0.001 0.000 0.283 124 I C -2.146 174.059 176.117 0.147 0.000 1.016 124 I CA -2.932 58.445 61.300 0.129 0.000 1.151 124 I CB 1.031 39.177 38.000 0.244 0.000 1.293 124 I HN 0.196 nan 8.210 nan 0.000 0.458 125 P HA 0.010 nan 4.420 nan 0.000 0.266 125 P C -0.958 176.407 177.300 0.108 0.000 1.195 125 P CA 0.138 63.259 63.100 0.034 0.000 0.768 125 P CB 0.927 32.592 31.700 -0.058 0.000 0.838 126 W N 3.801 125.046 121.300 -0.092 0.000 3.032 126 W HA 0.471 5.132 4.660 0.001 0.000 0.335 126 W C -0.998 175.414 176.519 -0.179 0.000 1.154 126 W CA -0.668 56.648 57.345 -0.048 0.000 1.204 126 W CB 1.940 31.515 29.460 0.191 0.000 1.416 126 W HN 0.238 nan 8.180 nan 0.000 0.521 127 R N 3.749 123.549 120.500 -1.166 0.000 2.534 127 R HA 0.772 5.113 4.340 0.001 0.000 0.301 127 R C -0.282 175.054 176.300 -1.608 0.000 0.961 127 R CA -0.936 54.447 56.100 -1.194 0.000 0.871 127 R CB 1.852 31.543 30.300 -1.016 0.000 1.170 127 R HN 0.510 nan 8.270 nan 0.000 0.446 128 A N 0.611 122.687 122.820 -1.241 0.000 2.246 128 A HA 0.710 5.031 4.320 0.001 0.000 0.291 128 A C 0.958 178.382 177.584 -0.267 0.000 1.103 128 A CA 0.264 51.754 52.037 -0.912 0.000 0.844 128 A CB 0.545 19.112 19.000 -0.721 0.000 1.136 128 A HN 0.890 nan 8.150 nan 0.000 0.500 129 G N -0.780 107.996 108.800 -0.041 0.000 2.227 129 G HA2 -0.128 3.833 3.960 0.001 0.000 0.168 129 G HA3 -0.128 3.833 3.960 0.001 0.000 0.168 129 G C 0.223 175.121 174.900 -0.003 0.000 1.006 129 G CA -0.080 45.048 45.100 0.048 0.000 0.684 129 G HN 0.790 nan 8.290 nan 0.000 0.489 130 R N -0.038 120.420 120.500 -0.070 0.000 2.594 130 R HA 0.511 4.852 4.340 0.001 0.000 0.272 130 R C -0.266 175.771 176.300 -0.438 0.000 1.074 130 R CA 0.039 55.956 56.100 -0.305 0.000 1.105 130 R CB 1.361 31.547 30.300 -0.191 0.000 1.008 130 R HN 0.084 nan 8.270 nan 0.000 0.472 131 V N 2.739 122.058 119.914 -0.991 0.000 2.531 131 V HA 0.092 4.213 4.120 0.001 0.000 0.301 131 V C -0.619 175.195 176.094 -0.468 0.000 1.034 131 V CA -1.064 60.913 62.300 -0.538 0.000 0.865 131 V CB 1.863 33.525 31.823 -0.269 0.000 0.995 131 V HN 0.675 nan 8.190 nan 0.000 0.424 132 D N 3.258 123.552 120.400 -0.177 0.000 2.488 132 D HA 0.312 4.953 4.640 0.001 0.000 0.238 132 D C 0.572 176.894 176.300 0.036 0.000 1.138 132 D CA 0.571 54.541 54.000 -0.050 0.000 0.873 132 D CB 0.986 41.796 40.800 0.016 0.000 1.183 132 D HN 0.800 nan 8.370 nan 0.000 0.458 133 T N -1.010 113.618 114.554 0.123 0.000 2.932 133 T HA 0.640 4.991 4.350 0.001 0.000 0.289 133 T C -2.686 172.158 174.700 0.240 0.000 1.039 133 T CA -1.989 60.217 62.100 0.176 0.000 1.024 133 T CB 2.051 71.033 68.868 0.190 0.000 1.090 133 T HN 0.038 nan 8.240 nan 0.000 0.496 134 P HA 0.083 nan 4.420 nan 0.000 0.269 134 P C 0.735 177.887 177.300 -0.247 0.000 1.217 134 P CA -0.070 63.054 63.100 0.041 0.000 0.783 134 P CB 0.777 32.480 31.700 0.004 0.000 0.898 135 E N 1.188 120.898 120.200 -0.816 0.000 2.147 135 E HA -0.279 4.072 4.350 0.001 0.000 0.199 135 E C 1.404 177.662 176.600 -0.571 0.000 1.005 135 E CA 1.916 57.428 56.400 -1.480 0.000 0.810 135 E CB -0.295 28.656 29.700 -1.249 0.000 0.736 135 E HN 0.510 nan 8.360 nan 0.000 0.460 136 D N -0.288 119.932 120.400 -0.300 0.000 2.265 136 D HA -0.190 4.451 4.640 0.001 0.000 0.208 136 D C 1.733 177.993 176.300 -0.067 0.000 0.977 136 D CA 1.704 55.621 54.000 -0.138 0.000 0.871 136 D CB -0.736 40.017 40.800 -0.078 0.000 0.925 136 D HN 0.341 nan 8.370 nan 0.000 0.485 137 T N -2.834 111.693 114.554 -0.046 0.000 3.129 137 T HA 0.040 4.391 4.350 0.001 0.000 0.251 137 T C 0.665 175.414 174.700 0.081 0.000 1.117 137 T CA -0.269 61.862 62.100 0.053 0.000 1.034 137 T CB -0.671 68.268 68.868 0.117 0.000 0.968 137 T HN -0.061 nan 8.240 nan 0.000 0.526 138 T N 5.862 120.439 114.554 0.038 0.000 2.769 138 T HA 0.302 4.653 4.350 0.001 0.000 0.293 138 T C -2.139 172.613 174.700 0.087 0.000 0.931 138 T CA -0.999 61.163 62.100 0.104 0.000 1.139 138 T CB 0.770 69.698 68.868 0.100 0.000 0.881 138 T HN 0.369 nan 8.240 nan 0.000 0.532 139 P HA 0.192 nan 4.420 nan 0.000 0.270 139 P C -0.434 176.909 177.300 0.072 0.000 1.223 139 P CA -0.459 62.691 63.100 0.085 0.000 0.785 139 P CB 0.755 32.512 31.700 0.095 0.000 0.923 140 D N 0.465 120.897 120.400 0.054 0.000 2.358 140 D HA 0.143 4.784 4.640 0.001 0.000 0.244 140 D C 0.606 176.935 176.300 0.050 0.000 1.163 140 D CA -0.064 53.964 54.000 0.047 0.000 0.945 140 D CB 0.170 40.992 40.800 0.036 0.000 1.152 140 D HN 0.343 nan 8.370 nan 0.000 0.451 141 N N -0.653 118.075 118.700 0.047 0.000 2.288 141 N HA 0.316 5.057 4.740 0.001 0.000 0.237 141 N C 1.038 176.572 175.510 0.040 0.000 1.311 141 N CA 0.137 53.213 53.050 0.043 0.000 0.909 141 N CB 0.495 39.008 38.487 0.042 0.000 1.167 141 N HN 0.562 nan 8.380 nan 0.000 0.476 142 G N -0.444 108.378 108.800 0.036 0.000 2.179 142 G HA2 -0.253 3.708 3.960 0.001 0.000 0.220 142 G HA3 -0.253 3.708 3.960 0.001 0.000 0.220 142 G C 0.748 175.687 174.900 0.066 0.000 0.990 142 G CA -0.222 44.908 45.100 0.050 0.000 0.646 142 G HN 0.563 nan 8.290 nan 0.000 0.517 143 R N -0.466 120.063 120.500 0.049 0.000 2.300 143 R HA 0.380 4.721 4.340 0.001 0.000 0.199 143 R C 0.959 177.328 176.300 0.113 0.000 0.920 143 R CA 0.044 56.194 56.100 0.083 0.000 1.046 143 R CB 0.252 30.579 30.300 0.046 0.000 0.984 143 R HN 0.382 nan 8.270 nan 0.000 0.493 144 L N 2.622 123.822 121.223 -0.039 0.000 2.379 144 L HA 0.332 4.673 4.340 0.001 0.000 0.269 144 L C -1.910 174.831 176.870 -0.216 0.000 1.084 144 L CA -2.298 52.411 54.840 -0.218 0.000 0.802 144 L CB 0.601 42.360 42.059 -0.500 0.000 1.175 144 L HN -0.138 nan 8.230 nan 0.000 0.448 145 P HA 0.066 nan 4.420 nan 0.000 0.271 145 P C -1.348 175.922 177.300 -0.050 0.000 1.216 145 P CA -0.383 62.439 63.100 -0.464 0.000 0.776 145 P CB 0.695 31.833 31.700 -0.936 0.000 0.881 146 D N 1.660 122.088 120.400 0.047 0.000 2.304 146 D HA 0.224 4.865 4.640 0.001 0.000 0.250 146 D C 1.093 177.373 176.300 -0.033 0.000 1.107 146 D CA -0.220 53.759 54.000 -0.035 0.000 0.885 146 D CB 1.270 41.958 40.800 -0.188 0.000 1.192 146 D HN 0.354 nan 8.370 nan 0.000 0.436 147 A N 1.886 124.723 122.820 0.029 0.000 2.178 147 A HA -0.084 4.237 4.320 0.001 0.000 0.211 147 A C 1.418 178.996 177.584 -0.009 0.000 1.157 147 A CA 0.335 52.373 52.037 0.002 0.000 0.780 147 A CB 0.110 19.036 19.000 -0.124 0.000 0.828 147 A HN 0.379 nan 8.150 nan 0.000 0.476 148 D N -0.019 120.399 120.400 0.030 0.000 2.325 148 D HA 0.065 4.706 4.640 0.001 0.000 0.234 148 D C 0.559 176.858 176.300 -0.001 0.000 1.122 148 D CA 0.320 54.362 54.000 0.071 0.000 0.850 148 D CB 0.066 40.934 40.800 0.113 0.000 0.921 148 D HN 0.158 nan 8.370 nan 0.000 0.513 149 K N 0.293 120.652 120.400 -0.068 0.000 2.502 149 K HA 0.317 4.638 4.320 0.001 0.000 0.252 149 K C 0.215 176.879 176.600 0.106 0.000 1.043 149 K CA -0.601 55.632 56.287 -0.091 0.000 0.999 149 K CB 0.497 32.694 32.500 -0.506 0.000 1.343 149 K HN 0.099 nan 8.250 nan 0.000 0.513 150 D N -1.775 118.731 120.400 0.177 0.000 2.592 150 D HA 0.354 4.995 4.640 0.001 0.000 0.259 150 D C 0.731 177.218 176.300 0.311 0.000 1.144 150 D CA -0.612 53.529 54.000 0.236 0.000 1.080 150 D CB 0.315 41.233 40.800 0.197 0.000 1.225 150 D HN 0.323 nan 8.370 nan 0.000 0.619 151 A N -0.077 122.916 122.820 0.287 0.000 1.908 151 A HA -0.211 4.110 4.320 0.001 0.000 0.218 151 A C 1.583 179.363 177.584 0.326 0.000 1.181 151 A CA 1.891 54.145 52.037 0.362 0.000 0.627 151 A CB -0.848 18.330 19.000 0.297 0.000 0.818 151 A HN 0.589 nan 8.150 nan 0.000 0.445 152 D N -1.804 118.736 120.400 0.234 0.000 2.144 152 D HA -0.155 4.486 4.640 0.001 0.000 0.199 152 D C 1.658 178.109 176.300 0.251 0.000 0.984 152 D CA 1.594 55.709 54.000 0.191 0.000 0.834 152 D CB -0.418 40.473 40.800 0.152 0.000 0.955 152 D HN 0.684 nan 8.370 nan 0.000 0.465 153 Y N 1.485 121.897 120.300 0.186 0.000 2.200 153 Y HA -0.190 4.361 4.550 0.001 0.000 0.290 153 Y C 2.195 178.260 175.900 0.276 0.000 1.137 153 Y CA 1.071 59.290 58.100 0.198 0.000 1.163 153 Y CB -0.256 38.302 38.460 0.164 0.000 0.988 153 Y HN -0.233 nan 8.280 nan 0.000 0.518 154 V N 1.302 121.465 119.914 0.415 0.000 2.287 154 V HA -0.339 3.782 4.120 0.001 0.000 0.248 154 V C 2.565 178.942 176.094 0.472 0.000 1.053 154 V CA 2.403 64.964 62.300 0.434 0.000 1.027 154 V CB -0.792 31.317 31.823 0.477 0.000 0.646 154 V HN 0.401 nan 8.190 nan 0.000 0.447 155 R N 0.434 121.191 120.500 0.429 0.000 2.083 155 R HA -0.195 4.146 4.340 0.001 0.000 0.237 155 R C 2.468 178.903 176.300 0.225 0.000 1.137 155 R CA 2.302 58.618 56.100 0.360 0.000 0.951 155 R CB -0.545 29.879 30.300 0.207 0.000 0.851 155 R HN 0.717 nan 8.270 nan 0.000 0.434 156 T N -1.665 112.965 114.554 0.128 0.000 2.904 156 T HA -0.133 4.218 4.350 0.001 0.000 0.267 156 T C 1.691 176.368 174.700 -0.039 0.000 1.059 156 T CA 0.951 63.076 62.100 0.041 0.000 1.137 156 T CB -0.483 68.400 68.868 0.025 0.000 0.879 156 T HN 0.337 nan 8.240 nan 0.000 0.467 157 F N 1.552 121.369 119.950 -0.221 0.000 2.075 157 F HA 0.073 4.601 4.527 0.001 0.000 0.297 157 F C 1.668 177.375 175.800 -0.155 0.000 1.113 157 F CA 0.891 58.695 58.000 -0.327 0.000 1.218 157 F CB -0.566 38.062 39.000 -0.620 0.000 0.984 157 F HN 0.091 nan 8.300 nan 0.000 0.472 158 F N 1.084 121.029 119.950 -0.007 0.000 2.408 158 F HA -0.130 4.398 4.527 0.002 0.000 0.300 158 F C 2.425 178.171 175.800 -0.090 0.000 1.090 158 F CA 1.235 59.225 58.000 -0.017 0.000 1.427 158 F CB -0.868 38.250 39.000 0.196 0.000 1.070 158 F HN 0.133 nan 8.300 nan 0.000 0.549 159 Q N -0.417 119.415 119.800 0.054 0.000 2.170 159 Q HA -0.198 4.143 4.340 0.001 0.000 0.203 159 Q C 2.405 178.335 176.000 -0.117 0.000 0.976 159 Q CA 0.837 56.647 55.803 0.011 0.000 0.858 159 Q CB -0.202 28.545 28.738 0.014 0.000 0.907 159 Q HN 0.253 nan 8.270 nan 0.000 0.433 160 R N 0.732 121.068 120.500 -0.273 0.000 2.189 160 R HA -0.076 4.265 4.340 0.001 0.000 0.223 160 R C 1.173 177.249 176.300 -0.374 0.000 1.092 160 R CA 0.782 56.633 56.100 -0.415 0.000 0.989 160 R CB 0.070 30.085 30.300 -0.474 0.000 0.876 160 R HN 0.296 nan 8.270 nan 0.000 0.457 161 L N 0.729 121.882 121.223 -0.118 0.000 2.653 161 L HA 0.098 4.439 4.340 0.001 0.000 0.231 161 L C 0.246 177.327 176.870 0.352 0.000 1.153 161 L CA -0.143 54.853 54.840 0.259 0.000 0.933 161 L CB -0.229 42.055 42.059 0.374 0.000 1.175 161 L HN 0.168 nan 8.230 nan 0.000 0.473 162 N N 0.740 119.538 118.700 0.163 0.000 2.747 162 N HA -0.182 4.559 4.740 0.001 0.000 0.249 162 N C -0.404 175.202 175.510 0.160 0.000 1.107 162 N CA 0.774 53.922 53.050 0.164 0.000 0.707 162 N CB -0.434 38.212 38.487 0.266 0.000 1.054 162 N HN 0.108 nan 8.380 nan 0.000 0.555 163 M N 0.598 120.304 119.600 0.177 0.000 2.336 163 M HA 0.339 4.820 4.480 0.001 0.000 0.342 163 M C 0.738 177.105 176.300 0.112 0.000 1.128 163 M CA -0.650 54.733 55.300 0.139 0.000 1.016 163 M CB 1.373 34.066 32.600 0.154 0.000 1.665 163 M HN 0.333 nan 8.290 nan 0.000 0.445 164 N N 0.753 119.498 118.700 0.074 0.000 2.491 164 N HA 0.260 5.001 4.740 0.001 0.000 0.279 164 N C 0.109 175.676 175.510 0.095 0.000 1.236 164 N CA -0.416 52.683 53.050 0.082 0.000 0.982 164 N CB 0.442 38.967 38.487 0.063 0.000 1.194 164 N HN 0.361 nan 8.380 nan 0.000 0.582 165 D N -0.393 120.086 120.400 0.132 0.000 2.133 165 D HA -0.193 4.448 4.640 0.001 0.000 0.192 165 D C 1.726 178.121 176.300 0.158 0.000 1.001 165 D CA 1.567 55.706 54.000 0.232 0.000 0.844 165 D CB -0.132 40.766 40.800 0.164 0.000 0.944 165 D HN 0.617 nan 8.370 nan 0.000 0.447 166 R N 0.555 121.115 120.500 0.100 0.000 2.073 166 R HA -0.111 4.230 4.340 0.001 0.000 0.234 166 R C 2.106 178.474 176.300 0.113 0.000 1.134 166 R CA 1.436 57.598 56.100 0.104 0.000 0.952 166 R CB 0.015 30.371 30.300 0.094 0.000 0.850 166 R HN 0.228 nan 8.270 nan 0.000 0.433 167 E N -0.651 119.579 120.200 0.050 0.000 2.110 167 E HA -0.164 4.187 4.350 0.001 0.000 0.193 167 E C 1.969 178.490 176.600 -0.132 0.000 0.988 167 E CA 1.436 57.829 56.400 -0.011 0.000 0.804 167 E CB 0.038 29.725 29.700 -0.021 0.000 0.745 167 E HN 0.141 nan 8.360 nan 0.000 0.458 168 V N 0.896 120.680 119.914 -0.217 0.000 2.261 168 V HA -0.238 3.883 4.120 0.001 0.000 0.246 168 V C 2.324 178.208 176.094 -0.349 0.000 1.047 168 V CA 1.421 63.405 62.300 -0.527 0.000 1.015 168 V CB -0.348 31.216 31.823 -0.431 0.000 0.642 168 V HN 0.142 nan 8.190 nan 0.000 0.446 169 V N 0.279 120.110 119.914 -0.140 0.000 2.343 169 V HA -0.250 3.871 4.120 0.001 0.000 0.247 169 V C 2.671 178.945 176.094 0.299 0.000 1.051 169 V CA 1.988 64.305 62.300 0.027 0.000 1.036 169 V CB -1.169 30.690 31.823 0.060 0.000 0.654 169 V HN 0.558 nan 8.190 nan 0.000 0.451 170 A N -0.165 122.874 122.820 0.366 0.000 1.877 170 A HA -0.139 4.182 4.320 0.001 0.000 0.216 170 A C 2.214 180.071 177.584 0.455 0.000 1.186 170 A CA 1.730 54.050 52.037 0.472 0.000 0.620 170 A CB -0.570 18.624 19.000 0.322 0.000 0.822 170 A HN 0.486 nan 8.150 nan 0.000 0.443 171 L N -1.803 119.471 121.223 0.085 0.000 2.131 171 L HA -0.180 4.161 4.340 0.001 0.000 0.210 171 L C 2.686 179.459 176.870 -0.163 0.000 1.092 171 L CA 1.524 56.339 54.840 -0.041 0.000 0.759 171 L CB -0.353 41.527 42.059 -0.299 0.000 0.903 171 L HN 0.397 nan 8.230 nan 0.000 0.435 172 M N -0.104 119.294 119.600 -0.336 0.000 2.460 172 M HA -0.040 4.441 4.480 0.001 0.000 0.263 172 M C 1.907 177.509 176.300 -1.164 0.000 1.071 172 M CA 1.097 55.959 55.300 -0.730 0.000 1.096 172 M CB -0.495 31.790 32.600 -0.525 0.000 1.408 172 M HN 0.149 nan 8.290 nan 0.000 0.463 173 G N -0.937 107.469 108.800 -0.657 0.000 2.535 173 G HA2 -0.057 3.904 3.960 0.001 0.000 0.218 173 G HA3 -0.057 3.904 3.960 0.001 0.000 0.218 173 G C 1.461 175.804 174.900 -0.928 0.000 1.122 173 G CA 0.712 45.228 45.100 -0.973 0.000 0.769 173 G HN 0.594 nan 8.290 nan 0.000 0.549 174 A N 0.063 122.437 122.820 -0.743 0.000 2.121 174 A HA -0.012 4.309 4.320 0.001 0.000 0.218 174 A C 1.739 178.856 177.584 -0.779 0.000 1.154 174 A CA 0.909 52.520 52.037 -0.711 0.000 0.679 174 A CB -0.662 18.129 19.000 -0.347 0.000 0.795 174 A HN 0.613 nan 8.150 nan 0.000 0.458 175 H N -0.887 117.425 119.070 -1.263 0.000 2.567 175 H HA 0.105 4.662 4.556 0.001 0.000 0.276 175 H C 2.137 176.807 175.328 -1.097 0.000 1.016 175 H CA 0.039 55.079 56.048 -1.680 0.000 1.186 175 H CB 0.153 28.419 29.762 -2.493 0.000 1.351 175 H HN 0.608 nan 8.280 nan 0.000 0.605 176 A N 0.870 123.290 122.820 -0.667 0.000 2.015 176 A HA -0.029 4.292 4.320 0.001 0.000 0.219 176 A C 1.009 178.474 177.584 -0.199 0.000 1.163 176 A CA 0.442 52.268 52.037 -0.351 0.000 0.646 176 A CB -0.172 18.556 19.000 -0.453 0.000 0.806 176 A HN 0.212 nan 8.150 nan 0.000 0.448 177 L N -0.742 120.327 121.223 -0.257 0.000 2.326 177 L HA 0.539 4.880 4.340 0.001 0.000 0.278 177 L C 1.352 178.279 176.870 0.095 0.000 1.092 177 L CA 0.112 54.907 54.840 -0.075 0.000 0.810 177 L CB 0.378 42.386 42.059 -0.084 0.000 1.153 177 L HN 0.573 nan 8.230 nan 0.000 0.439 178 G N 2.841 111.722 108.800 0.135 0.000 2.564 178 G HA2 -0.259 3.702 3.960 0.001 0.000 0.273 178 G HA3 -0.259 3.702 3.960 0.001 0.000 0.273 178 G C -0.535 174.507 174.900 0.236 0.000 1.242 178 G CA 0.460 45.675 45.100 0.192 0.000 0.951 178 G HN 1.024 nan 8.290 nan 0.000 0.564 179 K N -1.979 118.508 120.400 0.144 0.000 2.615 179 K HA 0.655 4.976 4.320 0.001 0.000 0.291 179 K C -0.402 175.915 176.600 -0.472 0.000 1.017 179 K CA -0.232 55.907 56.287 -0.247 0.000 0.882 179 K CB 0.918 33.204 32.500 -0.357 0.000 1.522 179 K HN 1.336 nan 8.250 nan 0.000 0.412 180 T N -0.728 113.411 114.554 -0.691 0.000 2.909 180 T HA 0.439 4.789 4.350 0.001 0.000 0.289 180 T C -0.664 173.770 174.700 -0.444 0.000 1.005 180 T CA -0.448 61.407 62.100 -0.407 0.000 1.084 180 T CB 0.415 69.072 68.868 -0.353 0.000 0.975 180 T HN 0.595 nan 8.240 nan 0.000 0.509 181 H N 1.316 120.357 119.070 -0.047 0.000 2.547 181 H HA 0.430 4.986 4.556 0.002 0.000 0.342 181 H C 0.618 175.934 175.328 -0.021 0.000 1.048 181 H CA -0.973 55.051 56.048 -0.040 0.000 1.204 181 H CB 1.549 31.291 29.762 -0.033 0.000 1.493 181 H HN 0.470 nan 8.280 nan 0.000 0.511 182 L N 2.901 124.156 121.223 0.054 0.000 2.079 182 L HA -0.197 4.144 4.340 0.001 0.000 0.210 182 L C 2.150 179.031 176.870 0.019 0.000 1.081 182 L CA 1.789 56.635 54.840 0.009 0.000 0.752 182 L CB -0.262 41.781 42.059 -0.026 0.000 0.896 182 L HN 0.705 nan 8.230 nan 0.000 0.433 183 K N -2.082 118.341 120.400 0.039 0.000 2.283 183 K HA -0.094 4.227 4.320 0.001 0.000 0.202 183 K C 1.466 178.082 176.600 0.026 0.000 1.048 183 K CA 1.357 57.656 56.287 0.021 0.000 0.948 183 K CB -0.272 32.237 32.500 0.014 0.000 0.742 183 K HN 0.318 nan 8.250 nan 0.000 0.458 184 N N 1.035 119.769 118.700 0.056 0.000 2.333 184 N HA -0.060 4.681 4.740 0.001 0.000 0.183 184 N C 1.574 177.133 175.510 0.081 0.000 1.030 184 N CA 1.758 54.841 53.050 0.056 0.000 0.867 184 N CB 0.252 38.780 38.487 0.068 0.000 1.027 184 N HN 0.420 nan 8.380 nan 0.000 0.435 185 S N -1.844 113.927 115.700 0.118 0.000 2.578 185 S HA 0.387 4.858 4.470 0.001 0.000 0.228 185 S C 1.232 175.892 174.600 0.100 0.000 1.022 185 S CA 0.393 58.691 58.200 0.164 0.000 0.967 185 S CB 0.999 64.364 63.200 0.275 0.000 0.914 185 S HN 0.397 nan 8.310 nan 0.000 0.515 186 G N 0.292 109.077 108.800 -0.025 0.000 2.143 186 G HA2 -0.239 3.722 3.960 0.001 0.000 0.249 186 G HA3 -0.239 3.722 3.960 0.001 0.000 0.249 186 G C -0.272 174.340 174.900 -0.480 0.000 0.981 186 G CA 0.284 45.245 45.100 -0.231 0.000 0.665 186 G HN 0.571 nan 8.290 nan 0.000 0.528 187 Y N -0.597 119.682 120.300 -0.034 0.000 2.499 187 Y HA 0.693 5.244 4.550 0.001 0.000 0.347 187 Y C 0.054 175.884 175.900 -0.116 0.000 0.987 187 Y CA -1.084 56.970 58.100 -0.076 0.000 1.044 187 Y CB 2.281 40.689 38.460 -0.086 0.000 1.245 187 Y HN 0.137 nan 8.280 nan 0.000 0.461 188 E N 1.052 121.257 120.200 0.007 0.000 2.275 188 E HA 0.708 5.059 4.350 0.001 0.000 0.270 188 E C -0.627 175.889 176.600 -0.140 0.000 0.882 188 E CA -0.309 56.040 56.400 -0.086 0.000 0.758 188 E CB 1.831 31.492 29.700 -0.065 0.000 1.195 188 E HN 0.912 nan 8.360 nan 0.000 0.419 189 G N 3.768 112.431 108.800 -0.229 0.000 2.428 189 G HA2 0.081 4.042 3.960 0.001 0.000 0.681 189 G HA3 0.081 4.042 3.960 0.001 0.000 0.681 189 G C -3.070 171.616 174.900 -0.357 0.000 1.340 189 G CA -0.516 44.454 45.100 -0.216 0.000 0.915 189 G HN 0.488 nan 8.290 nan 0.000 0.645 190 P HA 0.303 nan 4.420 nan 0.000 0.282 190 P C 0.400 177.662 177.300 -0.063 0.000 1.259 190 P CA -0.629 62.383 63.100 -0.148 0.000 0.826 190 P CB 1.145 32.861 31.700 0.027 0.000 1.064 191 W N 0.986 122.296 121.300 0.016 0.000 2.770 191 W HA 0.180 4.841 4.660 0.001 0.000 0.256 191 W C 0.969 177.401 176.519 -0.145 0.000 1.291 191 W CA 0.779 58.158 57.345 0.057 0.000 1.396 191 W CB 0.286 29.802 29.460 0.093 0.000 1.114 191 W HN 0.508 nan 8.180 nan 0.000 0.637 192 G N -1.765 106.963 108.800 -0.121 0.000 2.619 192 G HA2 0.421 4.382 3.960 0.001 0.000 0.305 192 G HA3 0.421 4.382 3.960 0.001 0.000 0.305 192 G C -0.152 174.499 174.900 -0.416 0.000 1.330 192 G CA 0.026 44.706 45.100 -0.701 0.000 0.789 192 G HN -0.142 nan 8.290 nan 0.000 0.487 193 A N -1.117 121.514 122.820 -0.316 0.000 2.115 193 A HA 0.619 4.940 4.320 0.001 0.000 0.211 193 A C 1.685 179.278 177.584 0.016 0.000 1.169 193 A CA 1.595 53.637 52.037 0.009 0.000 0.787 193 A CB -0.083 19.000 19.000 0.138 0.000 0.858 193 A HN 1.808 nan 8.150 nan 0.000 0.474 194 A N 0.686 123.497 122.820 -0.015 0.000 3.168 194 A HA 0.293 4.614 4.320 0.001 0.000 0.260 194 A C 0.588 178.183 177.584 0.017 0.000 1.598 194 A CA -0.222 51.824 52.037 0.014 0.000 1.285 194 A CB -1.310 17.698 19.000 0.015 0.000 1.149 194 A HN 0.623 nan 8.150 nan 0.000 0.630 195 N N 1.179 119.899 118.700 0.033 0.000 2.247 195 N HA -0.217 4.524 4.740 0.001 0.000 0.189 195 N C 0.579 176.119 175.510 0.050 0.000 1.009 195 N CA 1.414 54.493 53.050 0.049 0.000 0.872 195 N CB -0.036 38.486 38.487 0.059 0.000 0.980 195 N HN 0.777 nan 8.380 nan 0.000 0.436 196 N N -0.450 118.283 118.700 0.055 0.000 2.433 196 N HA 0.177 4.918 4.740 0.001 0.000 0.270 196 N C -1.483 174.071 175.510 0.072 0.000 1.354 196 N CA -0.369 52.719 53.050 0.065 0.000 0.889 196 N CB -0.215 38.317 38.487 0.076 0.000 1.285 196 N HN 0.014 nan 8.380 nan 0.000 0.503 197 C N 0.329 119.670 119.300 0.068 0.000 2.441 197 C HA 0.477 4.938 4.460 0.001 0.000 0.318 197 C C -0.577 174.480 174.990 0.112 0.000 1.222 197 C CA -1.163 57.915 59.018 0.101 0.000 1.474 197 C CB 0.011 27.806 27.740 0.091 0.000 2.125 197 C HN 0.482 nan 8.230 nan 0.000 0.479 198 F N 4.045 123.989 119.950 -0.009 0.000 2.404 198 F HA 0.495 5.023 4.527 0.001 0.000 0.359 198 F C 0.986 176.873 175.800 0.146 0.000 1.134 198 F CA 0.566 58.531 58.000 -0.059 0.000 1.160 198 F CB 0.519 39.368 39.000 -0.251 0.000 1.186 198 F HN 0.805 nan 8.300 nan 0.000 0.526 199 T N 0.957 115.576 114.554 0.108 0.000 2.669 199 T HA 0.261 4.612 4.350 0.001 0.000 0.283 199 T C 0.180 175.034 174.700 0.257 0.000 1.019 199 T CA -0.811 61.467 62.100 0.297 0.000 1.039 199 T CB 1.271 70.228 68.868 0.149 0.000 1.374 199 T HN 0.430 nan 8.240 nan 0.000 0.523 200 N N -0.589 118.274 118.700 0.272 0.000 2.295 200 N HA 0.067 4.808 4.740 0.001 0.000 0.221 200 N C 0.853 176.402 175.510 0.065 0.000 1.129 200 N CA -0.163 52.994 53.050 0.180 0.000 0.836 200 N CB -0.004 38.650 38.487 0.278 0.000 1.040 200 N HN 0.841 nan 8.380 nan 0.000 0.494 201 E N 0.033 120.230 120.200 -0.006 0.000 2.160 201 E HA -0.227 4.124 4.350 0.001 0.000 0.195 201 E C 1.026 177.587 176.600 -0.066 0.000 0.991 201 E CA 0.766 57.148 56.400 -0.030 0.000 0.810 201 E CB -0.177 29.491 29.700 -0.055 0.000 0.742 201 E HN 0.382 nan 8.360 nan 0.000 0.466 202 F N 0.583 120.308 119.950 -0.376 0.000 2.065 202 F HA -0.298 4.230 4.527 0.002 0.000 0.298 202 F C 1.637 177.201 175.800 -0.393 0.000 1.112 202 F CA 1.899 59.606 58.000 -0.489 0.000 1.212 202 F CB -0.602 37.857 39.000 -0.903 0.000 0.975 202 F HN 0.091 nan 8.300 nan 0.000 0.476 203 Y N 0.107 120.311 120.300 -0.160 0.000 2.200 203 Y HA -0.147 4.404 4.550 0.001 0.000 0.290 203 Y C 2.421 178.239 175.900 -0.136 0.000 1.137 203 Y CA 1.340 59.314 58.100 -0.209 0.000 1.163 203 Y CB -1.109 37.290 38.460 -0.103 0.000 0.988 203 Y HN 0.072 nan 8.280 nan 0.000 0.518 204 L N -0.204 121.062 121.223 0.071 0.000 2.046 204 L HA -0.245 4.096 4.340 0.001 0.000 0.208 204 L C 2.019 178.921 176.870 0.053 0.000 1.077 204 L CA 1.359 56.232 54.840 0.054 0.000 0.747 204 L CB -0.528 41.561 42.059 0.050 0.000 0.896 204 L HN 0.234 nan 8.230 nan 0.000 0.432 205 N N -0.169 118.560 118.700 0.048 0.000 2.142 205 N HA -0.151 4.589 4.740 0.001 0.000 0.186 205 N C 1.731 177.453 175.510 0.353 0.000 1.023 205 N CA 0.857 54.011 53.050 0.172 0.000 0.852 205 N CB -0.401 38.202 38.487 0.194 0.000 0.998 205 N HN 0.072 nan 8.380 nan 0.000 0.424 206 L N 1.031 122.329 121.223 0.125 0.000 2.043 206 L HA -0.059 4.282 4.340 0.001 0.000 0.212 206 L C 1.875 178.864 176.870 0.199 0.000 1.075 206 L CA 1.456 56.330 54.840 0.056 0.000 0.752 206 L CB -0.740 41.084 42.059 -0.392 0.000 0.891 206 L HN 0.182 nan 8.230 nan 0.000 0.432 207 L N -1.766 119.510 121.223 0.087 0.000 2.375 207 L HA -0.047 4.294 4.340 0.001 0.000 0.215 207 L C 1.588 178.502 176.870 0.074 0.000 1.108 207 L CA 0.768 55.644 54.840 0.060 0.000 0.830 207 L CB -0.259 41.810 42.059 0.015 0.000 0.959 207 L HN 0.379 nan 8.230 nan 0.000 0.457 208 N N -1.632 117.114 118.700 0.077 0.000 2.294 208 N HA 0.038 4.778 4.740 0.001 0.000 0.186 208 N C 0.236 175.719 175.510 -0.045 0.000 1.107 208 N CA -0.244 52.819 53.050 0.022 0.000 0.884 208 N CB 0.780 39.280 38.487 0.021 0.000 1.030 208 N HN 0.133 nan 8.380 nan 0.000 0.482 209 E N 1.177 121.308 120.200 -0.115 0.000 2.314 209 E HA 0.144 4.495 4.350 0.001 0.000 0.262 209 E C -0.916 175.390 176.600 -0.489 0.000 1.093 209 E CA 0.063 56.198 56.400 -0.442 0.000 0.908 209 E CB 0.741 29.850 29.700 -0.984 0.000 1.091 209 E HN 0.024 nan 8.360 nan 0.000 0.425 210 D N 1.057 121.175 120.400 -0.470 0.000 2.373 210 D HA 0.228 4.869 4.640 0.001 0.000 0.227 210 D C -0.793 175.357 176.300 -0.250 0.000 1.091 210 D CA -0.210 53.660 54.000 -0.216 0.000 0.840 210 D CB 0.243 40.975 40.800 -0.113 0.000 1.060 210 D HN 0.135 nan 8.370 nan 0.000 0.502 211 W N 1.991 123.386 121.300 0.159 0.000 2.496 211 W HA 0.406 5.067 4.660 0.002 0.000 0.327 211 W C 0.666 177.350 176.519 0.275 0.000 1.086 211 W CA -0.986 56.492 57.345 0.223 0.000 1.222 211 W CB 1.424 31.046 29.460 0.269 0.000 1.304 211 W HN 0.016 nan 8.180 nan 0.000 0.547 212 K N 3.257 123.951 120.400 0.490 0.000 2.463 212 K HA 0.433 4.754 4.320 0.001 0.000 0.255 212 K C -1.333 175.308 176.600 0.068 0.000 0.942 212 K CA -1.012 55.433 56.287 0.264 0.000 0.814 212 K CB 1.273 33.843 32.500 0.116 0.000 1.122 212 K HN 0.507 nan 8.250 nan 0.000 0.425 213 L N 4.133 125.159 121.223 -0.329 0.000 2.410 213 L HA 0.225 4.566 4.340 0.001 0.000 0.273 213 L C -0.929 175.693 176.870 -0.414 0.000 1.144 213 L CA 1.132 55.440 54.840 -0.886 0.000 0.863 213 L CB 0.241 41.430 42.059 -1.449 0.000 1.140 213 L HN 0.729 nan 8.230 nan 0.000 0.463 214 E N 3.559 123.566 120.200 -0.321 0.000 2.429 214 E HA 0.409 4.760 4.350 0.001 0.000 0.276 214 E C -1.240 175.265 176.600 -0.159 0.000 0.953 214 E CA -1.171 55.120 56.400 -0.181 0.000 0.787 214 E CB 1.820 31.459 29.700 -0.100 0.000 1.307 214 E HN 0.413 nan 8.360 nan 0.000 0.458 215 K N 1.199 121.527 120.400 -0.120 0.000 2.118 215 K HA 0.247 4.568 4.320 0.001 0.000 0.267 215 K C -0.198 176.348 176.600 -0.091 0.000 0.991 215 K CA -0.411 55.812 56.287 -0.107 0.000 0.916 215 K CB 0.627 33.070 32.500 -0.095 0.000 1.041 215 K HN 0.427 nan 8.250 nan 0.000 0.455 216 N N -0.188 118.452 118.700 -0.100 0.000 2.671 216 N HA 0.165 4.906 4.740 0.001 0.000 0.303 216 N C -0.150 175.304 175.510 -0.093 0.000 1.277 216 N CA -0.569 52.427 53.050 -0.090 0.000 0.933 216 N CB 0.305 38.735 38.487 -0.094 0.000 1.190 216 N HN 0.290 nan 8.380 nan 0.000 0.600 217 D N -1.034 119.317 120.400 -0.082 0.000 2.309 217 D HA -0.008 4.632 4.640 0.001 0.000 0.212 217 D C 0.924 177.173 176.300 -0.085 0.000 0.968 217 D CA 1.075 55.032 54.000 -0.073 0.000 0.882 217 D CB -0.335 40.430 40.800 -0.058 0.000 0.918 217 D HN 0.667 nan 8.370 nan 0.000 0.503 218 A N -0.100 122.649 122.820 -0.118 0.000 2.345 218 A HA 0.067 4.388 4.320 0.001 0.000 0.225 218 A C 0.982 178.483 177.584 -0.137 0.000 1.243 218 A CA 0.126 52.085 52.037 -0.130 0.000 0.875 218 A CB -0.411 18.486 19.000 -0.171 0.000 0.929 218 A HN 0.284 nan 8.150 nan 0.000 0.502 219 N N -0.816 117.807 118.700 -0.127 0.000 2.850 219 N HA -0.140 4.601 4.740 0.001 0.000 0.249 219 N C -0.999 174.429 175.510 -0.136 0.000 1.060 219 N CA 0.451 53.434 53.050 -0.113 0.000 0.825 219 N CB -1.006 37.429 38.487 -0.087 0.000 1.132 219 N HN 0.533 nan 8.380 nan 0.000 0.564 220 N N 1.217 119.797 118.700 -0.200 0.000 2.489 220 N HA 0.252 4.993 4.740 0.001 0.000 0.284 220 N C -0.665 174.758 175.510 -0.145 0.000 1.158 220 N CA 0.039 52.956 53.050 -0.222 0.000 0.965 220 N CB 1.027 39.207 38.487 -0.511 0.000 1.195 220 N HN 0.211 nan 8.380 nan 0.000 0.506 221 E N 0.689 120.849 120.200 -0.067 0.000 2.231 221 E HA 0.257 4.608 4.350 0.001 0.000 0.277 221 E C -0.363 176.241 176.600 0.006 0.000 0.999 221 E CA -0.555 55.791 56.400 -0.090 0.000 0.827 221 E CB 1.513 31.111 29.700 -0.170 0.000 1.101 221 E HN 0.486 nan 8.360 nan 0.000 0.393 222 Q N 1.146 120.897 119.800 -0.081 0.000 2.501 222 Q HA 0.424 4.765 4.340 0.001 0.000 0.288 222 Q C -1.462 174.435 176.000 -0.172 0.000 1.051 222 Q CA -1.067 54.728 55.803 -0.015 0.000 0.788 222 Q CB 1.165 30.002 28.738 0.164 0.000 1.469 222 Q HN 0.423 nan 8.270 nan 0.000 0.416 223 W N 1.427 122.672 121.300 -0.091 0.000 2.335 223 W HA 0.424 5.085 4.660 0.001 0.000 0.307 223 W C -0.790 175.834 176.519 0.176 0.000 1.117 223 W CA 0.080 57.369 57.345 -0.094 0.000 1.228 223 W CB 1.234 30.429 29.460 -0.442 0.000 1.240 223 W HN 0.448 nan 8.180 nan 0.000 0.468 224 D N 1.489 122.168 120.400 0.465 0.000 2.342 224 D HA 0.435 5.076 4.640 0.001 0.000 0.243 224 D C -0.170 176.357 176.300 0.378 0.000 1.019 224 D CA -0.405 53.849 54.000 0.423 0.000 0.864 224 D CB 1.964 42.859 40.800 0.160 0.000 1.315 224 D HN 0.255 nan 8.370 nan 0.000 0.468 225 S N -0.191 115.567 115.700 0.097 0.000 2.689 225 S HA 0.389 4.859 4.470 0.001 0.000 0.306 225 S C 0.881 175.342 174.600 -0.231 0.000 1.104 225 S CA -0.684 57.346 58.200 -0.283 0.000 0.973 225 S CB 2.184 64.879 63.200 -0.841 0.000 1.121 225 S HN 0.322 nan 8.310 nan 0.000 0.523 226 K N 0.860 121.108 120.400 -0.253 0.000 2.148 226 K HA 0.059 4.380 4.320 0.001 0.000 0.204 226 K C 1.561 177.994 176.600 -0.279 0.000 1.050 226 K CA 1.858 58.021 56.287 -0.206 0.000 0.942 226 K CB -1.001 31.399 32.500 -0.166 0.000 0.724 226 K HN 0.399 nan 8.250 nan 0.000 0.446 227 S N 0.131 115.571 115.700 -0.432 0.000 2.507 227 S HA 0.099 4.569 4.470 0.001 0.000 0.235 227 S C 1.301 175.464 174.600 -0.728 0.000 0.988 227 S CA 0.750 58.573 58.200 -0.629 0.000 0.944 227 S CB -0.449 62.165 63.200 -0.976 0.000 0.762 227 S HN 0.758 nan 8.310 nan 0.000 0.526 228 G N 0.107 108.604 108.800 -0.504 0.000 2.134 228 G HA2 -0.227 3.734 3.960 0.001 0.000 0.209 228 G HA3 -0.227 3.734 3.960 0.001 0.000 0.209 228 G C -0.089 174.738 174.900 -0.121 0.000 0.993 228 G CA -0.303 44.629 45.100 -0.280 0.000 0.669 228 G HN 0.553 nan 8.290 nan 0.000 0.519 229 Y N -0.720 119.599 120.300 0.032 0.000 2.480 229 Y HA 0.767 5.318 4.550 0.002 0.000 0.323 229 Y C 0.669 176.747 175.900 0.296 0.000 1.267 229 Y CA -0.985 57.199 58.100 0.140 0.000 1.336 229 Y CB 1.210 39.800 38.460 0.217 0.000 1.361 229 Y HN 0.350 nan 8.280 nan 0.000 0.518 230 M N 0.469 120.340 119.600 0.451 0.000 2.664 230 M HA 0.701 5.182 4.480 0.001 0.000 0.279 230 M C -1.725 174.608 176.300 0.056 0.000 1.275 230 M CA -0.897 54.577 55.300 0.290 0.000 0.829 230 M CB 2.244 34.846 32.600 0.004 0.000 1.727 230 M HN 0.351 nan 8.290 nan 0.000 0.459 231 M N 2.105 121.662 119.600 -0.071 0.000 2.378 231 M HA 0.548 5.028 4.480 0.001 0.000 0.289 231 M C -1.418 174.920 176.300 0.063 0.000 1.136 231 M CA -0.458 54.807 55.300 -0.058 0.000 0.917 231 M CB 2.221 34.553 32.600 -0.447 0.000 1.669 231 M HN 0.909 nan 8.290 nan 0.000 0.461 232 L N 3.537 124.834 121.223 0.123 0.000 2.464 232 L HA 0.196 4.537 4.340 0.001 0.000 0.264 232 L C -1.253 175.716 176.870 0.164 0.000 1.199 232 L CA -1.365 53.467 54.840 -0.014 0.000 0.818 232 L CB 0.152 42.181 42.059 -0.050 0.000 1.102 232 L HN 0.438 nan 8.230 nan 0.000 0.473 233 P HA -0.174 nan 4.420 nan 0.000 0.216 233 P C 1.470 178.922 177.300 0.254 0.000 1.153 233 P CA 1.630 64.915 63.100 0.307 0.000 0.858 233 P CB -0.001 31.823 31.700 0.206 0.000 0.789 234 T N -3.773 110.891 114.554 0.184 0.000 2.867 234 T HA -0.133 4.218 4.350 0.001 0.000 0.268 234 T C 1.444 176.262 174.700 0.196 0.000 1.057 234 T CA 1.269 63.492 62.100 0.205 0.000 1.136 234 T CB -0.976 68.018 68.868 0.211 0.000 0.874 234 T HN 0.042 nan 8.240 nan 0.000 0.466 235 D N 0.395 120.931 120.400 0.227 0.000 2.097 235 D HA -0.058 4.583 4.640 0.001 0.000 0.197 235 D C 1.692 178.006 176.300 0.024 0.000 0.984 235 D CA 1.081 55.230 54.000 0.248 0.000 0.826 235 D CB -0.491 40.549 40.800 0.399 0.000 0.973 235 D HN 0.493 nan 8.370 nan 0.000 0.460 236 Y N 1.665 121.856 120.300 -0.180 0.000 2.352 236 Y HA -0.201 4.350 4.550 0.001 0.000 0.292 236 Y C 2.397 178.146 175.900 -0.253 0.000 1.136 236 Y CA 1.457 59.295 58.100 -0.438 0.000 1.227 236 Y CB -0.028 37.919 38.460 -0.855 0.000 0.991 236 Y HN -0.055 nan 8.280 nan 0.000 0.545 237 S N -0.316 115.404 115.700 0.034 0.000 2.469 237 S HA -0.179 4.292 4.470 0.001 0.000 0.238 237 S C 1.712 176.344 174.600 0.054 0.000 0.998 237 S CA 1.252 59.500 58.200 0.080 0.000 0.957 237 S CB -0.920 62.402 63.200 0.203 0.000 0.764 237 S HN 0.567 nan 8.310 nan 0.000 0.514 238 L N 0.940 122.138 121.223 -0.042 0.000 2.376 238 L HA 0.144 4.485 4.340 0.001 0.000 0.219 238 L C 2.209 179.036 176.870 -0.072 0.000 1.133 238 L CA 1.060 55.882 54.840 -0.031 0.000 0.816 238 L CB -0.655 41.334 42.059 -0.115 0.000 0.933 238 L HN 0.543 nan 8.230 nan 0.000 0.449 239 I N -5.066 115.341 120.570 -0.271 0.000 4.018 239 I HA 0.055 4.226 4.170 0.001 0.000 0.337 239 I C 1.820 177.780 176.117 -0.262 0.000 1.327 239 I CA 0.156 61.278 61.300 -0.297 0.000 1.100 239 I CB 0.069 37.795 38.000 -0.457 0.000 1.025 239 I HN 0.119 nan 8.210 nan 0.000 0.396 240 Q N 1.242 120.920 119.800 -0.204 0.000 2.250 240 Q HA 0.080 4.421 4.340 0.001 0.000 0.200 240 Q C 0.460 176.451 176.000 -0.015 0.000 0.941 240 Q CA 0.511 56.258 55.803 -0.093 0.000 0.872 240 Q CB 0.400 29.133 28.738 -0.008 0.000 0.965 240 Q HN 0.526 nan 8.270 nan 0.000 0.480 241 D N 0.307 120.723 120.400 0.026 0.000 2.225 241 D HA 0.074 4.715 4.640 0.001 0.000 0.248 241 D C -2.063 174.226 176.300 -0.018 0.000 1.096 241 D CA -2.123 51.882 54.000 0.008 0.000 0.863 241 D CB 1.895 42.703 40.800 0.015 0.000 1.156 241 D HN -0.154 nan 8.370 nan 0.000 0.450 242 P HA -0.126 nan 4.420 nan 0.000 0.215 242 P C 1.239 178.508 177.300 -0.052 0.000 1.153 242 P CA 1.102 64.174 63.100 -0.046 0.000 0.853 242 P CB 0.360 32.032 31.700 -0.046 0.000 0.788 243 K N -1.060 119.283 120.400 -0.095 0.000 2.057 243 K HA -0.131 4.190 4.320 0.001 0.000 0.207 243 K C 2.374 178.968 176.600 -0.009 0.000 1.049 243 K CA 1.564 57.792 56.287 -0.097 0.000 0.931 243 K CB -1.000 31.386 32.500 -0.190 0.000 0.714 243 K HN 0.356 nan 8.250 nan 0.000 0.440 244 Y N 0.735 121.007 120.300 -0.047 0.000 2.200 244 Y HA -0.201 4.350 4.550 0.001 0.000 0.290 244 Y C 2.443 178.288 175.900 -0.091 0.000 1.137 244 Y CA -0.032 58.035 58.100 -0.056 0.000 1.163 244 Y CB -0.110 38.335 38.460 -0.024 0.000 0.988 244 Y HN -0.036 nan 8.280 nan 0.000 0.518 245 L N -0.177 121.088 121.223 0.070 0.000 2.042 245 L HA -0.248 4.093 4.340 0.001 0.000 0.210 245 L C 2.274 179.106 176.870 -0.064 0.000 1.076 245 L CA 1.833 56.658 54.840 -0.026 0.000 0.749 245 L CB -0.789 41.240 42.059 -0.050 0.000 0.893 245 L HN -0.030 nan 8.230 nan 0.000 0.432 246 S N -0.446 115.217 115.700 -0.062 0.000 2.399 246 S HA -0.110 4.361 4.470 0.001 0.000 0.231 246 S C 1.919 176.420 174.600 -0.166 0.000 1.022 246 S CA 1.719 59.863 58.200 -0.093 0.000 0.983 246 S CB -0.430 62.725 63.200 -0.075 0.000 0.803 246 S HN 0.509 nan 8.310 nan 0.000 0.480 247 I N 0.603 121.057 120.570 -0.193 0.000 2.406 247 I HA -0.076 4.095 4.170 0.001 0.000 0.249 247 I C 2.144 177.913 176.117 -0.580 0.000 1.122 247 I CA 0.548 61.598 61.300 -0.418 0.000 1.431 247 I CB -0.437 37.365 38.000 -0.330 0.000 1.087 247 I HN 0.125 nan 8.210 nan 0.000 0.424 248 V N 1.392 121.128 119.914 -0.296 0.000 2.255 248 V HA -0.333 3.788 4.120 0.001 0.000 0.247 248 V C 2.503 178.463 176.094 -0.223 0.000 1.051 248 V CA 2.018 64.198 62.300 -0.201 0.000 1.018 248 V CB -0.645 31.160 31.823 -0.031 0.000 0.641 248 V HN 0.384 nan 8.190 nan 0.000 0.445 249 K N 0.102 120.403 120.400 -0.164 0.000 2.063 249 K HA -0.259 4.062 4.320 0.001 0.000 0.208 249 K C 2.131 178.650 176.600 -0.134 0.000 1.048 249 K CA 2.023 58.242 56.287 -0.115 0.000 0.928 249 K CB -0.283 32.164 32.500 -0.089 0.000 0.713 249 K HN 0.814 nan 8.250 nan 0.000 0.442 250 E N -0.031 120.041 120.200 -0.213 0.000 2.204 250 E HA -0.201 4.149 4.350 0.001 0.000 0.194 250 E C 1.544 178.106 176.600 -0.064 0.000 0.989 250 E CA 1.152 57.456 56.400 -0.159 0.000 0.824 250 E CB -0.311 29.274 29.700 -0.191 0.000 0.756 250 E HN 0.518 nan 8.360 nan 0.000 0.477 251 Y N 0.475 120.616 120.300 -0.266 0.000 2.365 251 Y HA 0.109 4.659 4.550 0.001 0.000 0.293 251 Y C 2.695 178.462 175.900 -0.221 0.000 1.119 251 Y CA 0.001 57.883 58.100 -0.362 0.000 1.203 251 Y CB 0.115 37.929 38.460 -1.076 0.000 1.026 251 Y HN 0.203 nan 8.280 nan 0.000 0.549 252 A N 0.483 123.295 122.820 -0.013 0.000 2.015 252 A HA -0.157 4.164 4.320 0.001 0.000 0.219 252 A C 1.552 179.166 177.584 0.051 0.000 1.163 252 A CA 1.482 53.559 52.037 0.066 0.000 0.646 252 A CB -0.359 18.674 19.000 0.054 0.000 0.806 252 A HN 0.415 nan 8.150 nan 0.000 0.448 253 N N -0.589 118.130 118.700 0.031 0.000 2.205 253 N HA 0.056 4.797 4.740 0.001 0.000 0.201 253 N C -0.831 174.702 175.510 0.039 0.000 1.128 253 N CA 0.296 53.363 53.050 0.028 0.000 0.867 253 N CB 0.796 39.288 38.487 0.008 0.000 0.996 253 N HN 0.393 nan 8.380 nan 0.000 0.503 254 D N 0.513 120.955 120.400 0.071 0.000 2.351 254 D HA 0.031 4.672 4.640 0.001 0.000 0.235 254 D C 0.594 176.962 176.300 0.115 0.000 1.331 254 D CA -0.235 53.811 54.000 0.076 0.000 0.959 254 D CB 0.761 41.609 40.800 0.081 0.000 1.432 254 D HN -0.103 nan 8.370 nan 0.000 0.544 255 Q N 1.856 121.695 119.800 0.065 0.000 2.124 255 Q HA -0.138 4.203 4.340 0.001 0.000 0.202 255 Q C 0.572 176.529 176.000 -0.072 0.000 0.977 255 Q CA 1.430 57.272 55.803 0.064 0.000 0.850 255 Q CB 0.356 29.051 28.738 -0.071 0.000 0.901 255 Q HN 0.399 nan 8.270 nan 0.000 0.429 256 D N 0.301 120.627 120.400 -0.125 0.000 2.144 256 D HA -0.168 4.473 4.640 0.001 0.000 0.199 256 D C 1.730 178.046 176.300 0.027 0.000 0.984 256 D CA 1.165 55.095 54.000 -0.118 0.000 0.834 256 D CB -0.032 40.725 40.800 -0.072 0.000 0.955 256 D HN 0.121 nan 8.370 nan 0.000 0.465 257 K N 0.876 121.325 120.400 0.082 0.000 2.025 257 K HA -0.108 4.213 4.320 0.001 0.000 0.207 257 K C 2.002 178.678 176.600 0.127 0.000 1.049 257 K CA 0.769 57.140 56.287 0.140 0.000 0.933 257 K CB -0.925 31.698 32.500 0.205 0.000 0.714 257 K HN 0.204 nan 8.250 nan 0.000 0.438 258 F N -0.184 119.698 119.950 -0.113 0.000 2.069 258 F HA -0.242 4.286 4.527 0.001 0.000 0.298 258 F C 1.591 177.397 175.800 0.009 0.000 1.113 258 F CA 1.296 58.999 58.000 -0.495 0.000 1.214 258 F CB -0.237 38.547 39.000 -0.360 0.000 0.978 258 F HN -0.002 nan 8.300 nan 0.000 0.474 259 F N 1.599 121.274 119.950 -0.458 0.000 2.091 259 F HA -0.227 4.301 4.527 0.002 0.000 0.299 259 F C 2.358 178.028 175.800 -0.217 0.000 1.103 259 F CA 1.873 59.614 58.000 -0.431 0.000 1.228 259 F CB -1.069 37.806 39.000 -0.209 0.000 0.984 259 F HN -0.041 nan 8.300 nan 0.000 0.477 260 K N -0.333 120.120 120.400 0.089 0.000 2.057 260 K HA -0.171 4.149 4.320 0.001 0.000 0.207 260 K C 1.716 178.333 176.600 0.028 0.000 1.049 260 K CA 1.668 57.987 56.287 0.053 0.000 0.931 260 K CB -0.310 32.227 32.500 0.062 0.000 0.714 260 K HN 0.156 nan 8.250 nan 0.000 0.440 261 D N 0.324 120.745 120.400 0.035 0.000 2.117 261 D HA -0.133 4.508 4.640 0.001 0.000 0.198 261 D C 1.613 177.926 176.300 0.022 0.000 0.982 261 D CA 0.768 54.802 54.000 0.057 0.000 0.828 261 D CB -0.267 40.621 40.800 0.147 0.000 0.967 261 D HN 0.060 nan 8.370 nan 0.000 0.464 262 F N 1.271 121.122 119.950 -0.164 0.000 2.126 262 F HA -0.226 4.302 4.527 0.002 0.000 0.299 262 F C 2.526 178.260 175.800 -0.109 0.000 1.096 262 F CA 1.475 59.375 58.000 -0.165 0.000 1.255 262 F CB -0.279 38.464 39.000 -0.428 0.000 0.997 262 F HN -0.139 nan 8.300 nan 0.000 0.479 263 S N 0.033 115.732 115.700 -0.001 0.000 2.359 263 S HA -0.261 4.210 4.470 0.001 0.000 0.224 263 S C 2.107 176.674 174.600 -0.055 0.000 1.035 263 S CA 1.912 60.103 58.200 -0.015 0.000 1.018 263 S CB -0.355 62.840 63.200 -0.008 0.000 0.876 263 S HN 0.488 nan 8.310 nan 0.000 0.448 264 K N 0.693 121.061 120.400 -0.053 0.000 2.026 264 K HA 0.012 4.333 4.320 0.001 0.000 0.208 264 K C 2.423 178.977 176.600 -0.077 0.000 1.048 264 K CA 1.246 57.502 56.287 -0.052 0.000 0.929 264 K CB -0.386 32.098 32.500 -0.026 0.000 0.713 264 K HN 0.432 nan 8.250 nan 0.000 0.439 265 A N 0.672 123.423 122.820 -0.115 0.000 1.930 265 A HA -0.123 4.198 4.320 0.001 0.000 0.217 265 A C 1.967 179.471 177.584 -0.134 0.000 1.175 265 A CA 0.963 52.926 52.037 -0.124 0.000 0.627 265 A CB -0.609 18.303 19.000 -0.147 0.000 0.815 265 A HN 0.344 nan 8.150 nan 0.000 0.443 266 F N 0.214 119.876 119.950 -0.479 0.000 2.163 266 F HA -0.098 4.430 4.527 0.002 0.000 0.297 266 F C 2.339 178.046 175.800 -0.156 0.000 1.094 266 F CA 1.625 59.370 58.000 -0.426 0.000 1.290 266 F CB 0.071 38.653 39.000 -0.698 0.000 1.017 266 F HN 0.387 nan 8.300 nan 0.000 0.483 267 E N 0.701 120.838 120.200 -0.104 0.000 2.077 267 E HA -0.298 4.053 4.350 0.001 0.000 0.193 267 E C 2.253 178.768 176.600 -0.141 0.000 0.989 267 E CA 1.357 57.679 56.400 -0.129 0.000 0.800 267 E CB -0.177 29.473 29.700 -0.084 0.000 0.746 267 E HN 0.368 nan 8.360 nan 0.000 0.452 268 K N 0.403 120.739 120.400 -0.107 0.000 2.063 268 K HA -0.203 4.117 4.320 0.001 0.000 0.208 268 K C 2.347 178.889 176.600 -0.096 0.000 1.048 268 K CA 1.273 57.507 56.287 -0.088 0.000 0.928 268 K CB -0.226 32.245 32.500 -0.049 0.000 0.713 268 K HN 0.143 nan 8.250 nan 0.000 0.442 269 L N 1.209 122.390 121.223 -0.069 0.000 1.990 269 L HA -0.191 4.150 4.340 0.001 0.000 0.213 269 L C 1.973 178.791 176.870 -0.087 0.000 1.072 269 L CA 1.562 56.397 54.840 -0.007 0.000 0.755 269 L CB -0.561 41.544 42.059 0.077 0.000 0.889 269 L HN 0.189 nan 8.230 nan 0.000 0.432 270 L N -0.407 120.707 121.223 -0.182 0.000 2.265 270 L HA -0.149 4.192 4.340 0.001 0.000 0.215 270 L C 2.181 178.995 176.870 -0.094 0.000 1.117 270 L CA 1.553 56.304 54.840 -0.148 0.000 0.782 270 L CB -0.848 41.086 42.059 -0.207 0.000 0.914 270 L HN 0.462 nan 8.230 nan 0.000 0.441 271 E N -1.899 118.233 120.200 -0.114 0.000 2.498 271 E HA 0.085 4.436 4.350 0.001 0.000 0.203 271 E C 0.081 176.556 176.600 -0.208 0.000 1.013 271 E CA -0.364 56.005 56.400 -0.052 0.000 0.927 271 E CB 0.216 29.951 29.700 0.059 0.000 1.012 271 E HN 0.336 nan 8.360 nan 0.000 0.482 272 N N 0.988 119.445 118.700 -0.405 0.000 2.412 272 N HA -0.016 4.725 4.740 0.001 0.000 0.258 272 N C 1.031 175.849 175.510 -1.154 0.000 1.236 272 N CA 1.443 53.934 53.050 -0.933 0.000 0.882 272 N CB 1.096 38.805 38.487 -1.298 0.000 1.066 272 N HN 0.367 nan 8.380 nan 0.000 0.465 273 G N 1.556 109.734 108.800 -1.037 0.000 2.195 273 G HA2 -0.260 3.700 3.960 0.001 0.000 0.246 273 G HA3 -0.260 3.700 3.960 0.001 0.000 0.246 273 G C 0.138 174.895 174.900 -0.239 0.000 0.984 273 G CA -0.174 44.657 45.100 -0.449 0.000 0.633 273 G HN 0.549 nan 8.290 nan 0.000 0.525 274 I N 2.045 122.419 120.570 -0.327 0.000 2.331 274 I HA 0.365 4.536 4.170 0.001 0.000 0.292 274 I C 0.164 175.979 176.117 -0.504 0.000 0.998 274 I CA -0.404 60.624 61.300 -0.453 0.000 1.267 274 I CB 1.703 39.330 38.000 -0.622 0.000 1.386 274 I HN -0.039 nan 8.210 nan 0.000 0.476 275 T N 6.900 121.177 114.554 -0.461 0.000 2.738 275 T HA 0.413 4.764 4.350 0.001 0.000 0.298 275 T C -0.408 174.055 174.700 -0.396 0.000 0.962 275 T CA -0.143 61.777 62.100 -0.300 0.000 0.972 275 T CB -0.062 68.695 68.868 -0.186 0.000 0.928 275 T HN 0.124 nan 8.240 nan 0.000 0.474 276 F N 4.582 124.487 119.950 -0.075 0.000 2.405 276 F HA 0.376 4.904 4.527 0.002 0.000 0.355 276 F C -1.650 174.111 175.800 -0.064 0.000 1.121 276 F CA -2.498 55.454 58.000 -0.079 0.000 1.112 276 F CB 0.557 39.486 39.000 -0.119 0.000 1.126 276 F HN 0.358 nan 8.300 nan 0.000 0.481 277 P HA 0.009 nan 4.420 nan 0.000 0.266 277 P C 0.237 177.567 177.300 0.050 0.000 1.193 277 P CA -0.026 63.106 63.100 0.054 0.000 0.770 277 P CB 0.703 32.430 31.700 0.044 0.000 0.836 278 K N 1.378 121.792 120.400 0.023 0.000 2.362 278 K HA -0.106 4.215 4.320 0.001 0.000 0.200 278 K C 0.926 177.522 176.600 -0.007 0.000 1.046 278 K CA 1.224 57.514 56.287 0.005 0.000 0.952 278 K CB -0.131 32.369 32.500 -0.000 0.000 0.753 278 K HN 0.596 nan 8.250 nan 0.000 0.466 279 D N 0.038 120.438 120.400 0.001 0.000 2.340 279 D HA 0.039 4.680 4.640 0.001 0.000 0.217 279 D C 0.199 176.495 176.300 -0.007 0.000 1.081 279 D CA -0.230 53.767 54.000 -0.004 0.000 0.842 279 D CB -0.015 40.787 40.800 0.005 0.000 0.934 279 D HN -0.016 nan 8.370 nan 0.000 0.511 280 A N 1.345 124.160 122.820 -0.008 0.000 2.386 280 A HA 0.460 4.781 4.320 0.001 0.000 0.248 280 A C -2.018 175.510 177.584 -0.092 0.000 1.082 280 A CA -0.890 51.134 52.037 -0.022 0.000 0.789 280 A CB -0.339 18.673 19.000 0.019 0.000 1.025 280 A HN 0.069 nan 8.150 nan 0.000 0.490 281 P HA 0.161 nan 4.420 nan 0.000 0.268 281 P C -0.179 176.935 177.300 -0.311 0.000 1.208 281 P CA -0.044 62.949 63.100 -0.179 0.000 0.777 281 P CB 0.379 31.980 31.700 -0.165 0.000 0.875 282 S N 2.919 118.457 115.700 -0.268 0.000 2.579 282 S HA 0.208 4.679 4.470 0.001 0.000 0.275 282 S C -1.953 172.365 174.600 -0.470 0.000 1.345 282 S CA -0.799 57.222 58.200 -0.298 0.000 1.031 282 S CB -0.659 62.427 63.200 -0.191 0.000 0.892 282 S HN 0.449 nan 8.310 nan 0.000 0.529 283 P HA 0.077 nan 4.420 nan 0.000 0.268 283 P C -0.870 176.205 177.300 -0.376 0.000 1.208 283 P CA 0.054 62.840 63.100 -0.524 0.000 0.777 283 P CB 0.214 31.692 31.700 -0.370 0.000 0.875 284 F N 1.103 120.952 119.950 -0.168 0.000 2.375 284 F HA 0.419 4.947 4.527 0.001 0.000 0.333 284 F C 1.112 176.704 175.800 -0.346 0.000 1.104 284 F CA -0.833 57.038 58.000 -0.216 0.000 1.149 284 F CB 0.852 39.666 39.000 -0.310 0.000 1.190 284 F HN 0.022 nan 8.300 nan 0.000 0.533 285 I N 3.812 124.328 120.570 -0.090 0.000 2.495 285 I HA 0.213 4.384 4.170 0.001 0.000 0.277 285 I C -0.830 175.206 176.117 -0.134 0.000 1.045 285 I CA -0.453 60.778 61.300 -0.116 0.000 1.135 285 I CB 0.617 38.597 38.000 -0.034 0.000 1.241 285 I HN 0.418 nan 8.210 nan 0.000 0.469 286 F N 4.456 124.437 119.950 0.052 0.000 2.459 286 F HA 0.223 4.751 4.527 0.001 0.000 0.346 286 F C 1.039 176.670 175.800 -0.280 0.000 1.128 286 F CA -0.248 57.602 58.000 -0.249 0.000 1.268 286 F CB 0.486 39.022 39.000 -0.775 0.000 1.161 286 F HN 0.279 nan 8.300 nan 0.000 0.583 287 K N 1.109 121.469 120.400 -0.066 0.000 2.218 287 K HA 0.266 4.587 4.320 0.001 0.000 0.276 287 K C 0.267 176.803 176.600 -0.107 0.000 1.022 287 K CA -0.623 55.641 56.287 -0.038 0.000 0.946 287 K CB 0.870 33.387 32.500 0.028 0.000 1.000 287 K HN 0.727 nan 8.250 nan 0.000 0.468 288 T N -0.882 113.698 114.554 0.044 0.000 2.754 288 T HA 0.145 4.495 4.350 0.001 0.000 0.286 288 T C 1.509 176.307 174.700 0.164 0.000 0.997 288 T CA -0.655 61.555 62.100 0.184 0.000 0.982 288 T CB 0.428 69.398 68.868 0.170 0.000 1.027 288 T HN 0.435 nan 8.240 nan 0.000 0.529 289 L N -0.046 121.298 121.223 0.201 0.000 2.056 289 L HA -0.044 4.297 4.340 0.001 0.000 0.207 289 L C 3.100 180.027 176.870 0.095 0.000 1.078 289 L CA 1.748 56.670 54.840 0.137 0.000 0.749 289 L CB -0.681 41.449 42.059 0.118 0.000 0.901 289 L HN 0.898 nan 8.230 nan 0.000 0.433 290 E N 0.877 121.132 120.200 0.092 0.000 2.097 290 E HA -0.266 4.085 4.350 0.001 0.000 0.196 290 E C 1.633 178.272 176.600 0.064 0.000 1.000 290 E CA 1.441 57.885 56.400 0.072 0.000 0.804 290 E CB 0.042 29.784 29.700 0.071 0.000 0.740 290 E HN 0.536 nan 8.360 nan 0.000 0.454 291 E N -0.322 119.919 120.200 0.068 0.000 2.516 291 E HA -0.120 4.231 4.350 0.001 0.000 0.199 291 E C 0.867 177.498 176.600 0.052 0.000 1.069 291 E CA 0.318 56.751 56.400 0.056 0.000 0.876 291 E CB 0.138 29.871 29.700 0.054 0.000 0.843 291 E HN 0.372 nan 8.360 nan 0.000 0.530 292 Q N -0.750 119.084 119.800 0.057 0.000 2.157 292 Q HA 0.180 4.521 4.340 0.001 0.000 0.229 292 Q C 0.696 176.724 176.000 0.047 0.000 0.827 292 Q CA 0.125 55.959 55.803 0.052 0.000 1.055 292 Q CB 1.354 30.126 28.738 0.058 0.000 1.157 292 Q HN 0.310 nan 8.270 nan 0.000 0.482 293 G N 1.042 109.869 108.800 0.045 0.000 2.180 293 G HA2 -0.299 3.662 3.960 0.001 0.000 0.263 293 G HA3 -0.299 3.662 3.960 0.001 0.000 0.263 293 G C 0.170 175.095 174.900 0.042 0.000 0.989 293 G CA 0.617 45.741 45.100 0.040 0.000 0.692 293 G HN 0.302 nan 8.290 nan 0.000 0.526 294 L N 0.000 121.253 121.223 0.050 0.000 2.949 294 L HA 0.000 4.341 4.340 0.001 0.000 0.249 294 L CA 0.000 54.871 54.840 0.051 0.000 0.813 294 L CB 0.000 42.093 42.059 0.057 0.000 0.961 294 L HN 0.000 nan 8.230 nan 0.000 0.502