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 1g2v_1_H DATA FIRST_RESID 2 DATA SEQUENCE KRKGIILAGG SGTRLHPATL AISKQLLPVY DKPMIYYPLS TLMLAGIREI DATA SEQUENCE LIISTPQDTP RFQQLLGDGS NWGLDLQYAV QPSPDGLAQA FLIGESFIGN DATA SEQUENCE DLSALVLGDN LYYGHDFHEL LGSASQRQTG ASVFAYHVLD PERYGVVEFD DATA SEQUENCE QGGKAISLEE KPLEPKSNYA VTGLYFYDQQ VVDIARDLKP SPRGELEITD DATA SEQUENCE VNRAYLERGQ LSVEIMGRGY AWLDTGTHDS LLEAGQFIAT LENRQGLKVA DATA SEQUENCE CPEEIAYRQK WIDAAQLEKL AAPLAKNGYG QYLKRLLTET VY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.605 176.600 0.009 0.000 0.988 2 K CA 0.000 56.287 56.287 0.000 0.000 0.838 2 K CB 0.000 32.488 32.500 -0.020 0.000 1.064 3 R N 2.905 123.420 120.500 0.025 0.000 2.637 3 R HA 0.540 4.880 4.340 -0.000 0.000 0.291 3 R C -0.734 175.582 176.300 0.027 0.000 0.963 3 R CA -0.815 55.312 56.100 0.045 0.000 0.901 3 R CB 1.124 31.480 30.300 0.094 0.000 1.160 3 R HN 0.479 nan 8.270 nan 0.000 0.457 4 K N 1.160 121.579 120.400 0.032 0.000 2.156 4 K HA 0.454 4.774 4.320 -0.000 0.000 0.250 4 K C -0.358 176.333 176.600 0.152 0.000 0.955 4 K CA -0.808 55.514 56.287 0.059 0.000 0.855 4 K CB 2.125 34.578 32.500 -0.078 0.000 1.101 4 K HN 0.765 nan 8.250 nan 0.000 0.434 5 G N 1.508 110.433 108.800 0.208 0.000 2.481 5 G HA2 0.692 4.652 3.960 -0.000 0.000 0.315 5 G HA3 0.692 4.652 3.960 -0.000 0.000 0.315 5 G C -0.795 174.146 174.900 0.069 0.000 1.231 5 G CA -0.655 44.512 45.100 0.111 0.000 0.968 5 G HN 0.444 nan 8.290 nan 0.000 0.482 6 I N 0.756 121.313 120.570 -0.021 0.000 2.545 6 I HA 0.421 4.591 4.170 -0.000 0.000 0.292 6 I C -0.768 175.284 176.117 -0.109 0.000 1.040 6 I CA -0.738 60.480 61.300 -0.137 0.000 1.068 6 I CB 2.521 40.416 38.000 -0.175 0.000 1.251 6 I HN 0.175 nan 8.210 nan 0.000 0.424 7 I N 6.192 126.673 120.570 -0.148 0.000 2.410 7 I HA 0.242 4.412 4.170 -0.000 0.000 0.286 7 I C -0.855 175.185 176.117 -0.129 0.000 1.009 7 I CA -0.756 60.486 61.300 -0.097 0.000 1.111 7 I CB 2.065 40.005 38.000 -0.100 0.000 1.262 7 I HN 0.286 nan 8.210 nan 0.000 0.443 8 L N 7.271 128.453 121.223 -0.069 0.000 2.302 8 L HA 0.472 4.812 4.340 -0.000 0.000 0.285 8 L C 0.559 177.396 176.870 -0.055 0.000 1.090 8 L CA 0.159 54.959 54.840 -0.067 0.000 0.866 8 L CB 0.672 42.723 42.059 -0.015 0.000 1.244 8 L HN 0.694 nan 8.230 nan 0.000 0.435 9 A N 3.822 126.569 122.820 -0.122 0.000 3.041 9 A HA 0.715 5.035 4.320 -0.000 0.000 0.307 9 A C 0.668 178.234 177.584 -0.030 0.000 1.116 9 A CA 0.148 52.109 52.037 -0.127 0.000 1.001 9 A CB -0.406 18.350 19.000 -0.407 0.000 1.112 9 A HN 0.725 nan 8.150 nan 0.000 0.556 10 G N -0.438 108.369 108.800 0.013 0.000 3.134 10 G HA2 0.703 4.663 3.960 -0.000 0.000 0.158 10 G HA3 0.703 4.663 3.960 -0.000 0.000 0.158 10 G C 0.576 175.513 174.900 0.061 0.000 1.334 10 G CA -0.225 44.909 45.100 0.056 0.000 1.001 10 G HN 1.780 nan 8.290 nan 0.000 0.600 11 G N -2.032 106.797 108.800 0.049 0.000 2.663 11 G HA2 0.223 4.183 3.960 -0.000 0.000 0.686 11 G HA3 0.223 4.183 3.960 -0.000 0.000 0.686 11 G C 0.703 175.626 174.900 0.039 0.000 1.246 11 G CA 0.656 45.780 45.100 0.039 0.000 0.795 11 G HN 1.561 nan 8.290 nan 0.000 0.627 12 S N -0.382 115.332 115.700 0.024 0.000 2.478 12 S HA 0.389 4.859 4.470 -0.000 0.000 0.222 12 S C 2.266 176.851 174.600 -0.025 0.000 1.008 12 S CA 1.301 59.517 58.200 0.026 0.000 0.928 12 S CB 0.386 63.610 63.200 0.041 0.000 0.781 12 S HN 2.840 nan 8.310 nan 0.000 0.518 13 G N 1.966 110.729 108.800 -0.062 0.000 2.179 13 G HA2 -0.356 3.603 3.960 -0.000 0.000 0.257 13 G HA3 -0.356 3.603 3.960 -0.000 0.000 0.257 13 G C 0.875 175.572 174.900 -0.340 0.000 1.010 13 G CA 1.064 46.081 45.100 -0.139 0.000 0.736 13 G HN 0.873 nan 8.290 nan 0.000 0.513 14 T N -1.726 112.636 114.554 -0.319 0.000 2.759 14 T HA -0.146 4.204 4.350 -0.000 0.000 0.269 14 T C 2.158 176.684 174.700 -0.291 0.000 1.042 14 T CA 1.634 63.469 62.100 -0.442 0.000 1.140 14 T CB -0.291 68.564 68.868 -0.022 0.000 0.864 14 T HN 0.593 nan 8.240 nan 0.000 0.455 15 R N 0.828 121.206 120.500 -0.202 0.000 2.193 15 R HA 0.146 4.486 4.340 -0.000 0.000 0.229 15 R C 2.175 178.292 176.300 -0.305 0.000 1.110 15 R CA 1.049 57.031 56.100 -0.197 0.000 0.988 15 R CB -0.515 29.671 30.300 -0.190 0.000 0.871 15 R HN 0.443 nan 8.270 nan 0.000 0.458 16 L N -0.309 120.747 121.223 -0.277 0.000 2.591 16 L HA 0.078 4.418 4.340 -0.000 0.000 0.228 16 L C 0.288 177.234 176.870 0.127 0.000 1.133 16 L CA -0.171 54.578 54.840 -0.152 0.000 0.880 16 L CB -0.495 41.528 42.059 -0.059 0.000 1.033 16 L HN 0.220 nan 8.230 nan 0.000 0.450 17 H N 1.282 120.406 119.070 0.089 0.000 3.073 17 H HA -0.056 4.500 4.556 -0.000 0.000 0.340 17 H C -1.384 174.044 175.328 0.166 0.000 1.054 17 H CA -0.821 55.289 56.048 0.104 0.000 1.372 17 H CB 0.426 30.221 29.762 0.055 0.000 1.314 17 H HN -0.020 nan 8.280 nan 0.000 0.603 18 P HA 0.092 nan 4.420 nan 0.000 0.261 18 P C 0.879 178.292 177.300 0.188 0.000 1.268 18 P CA 0.501 63.733 63.100 0.221 0.000 0.833 18 P CB 0.330 32.081 31.700 0.085 0.000 1.231 19 A N 0.758 123.673 122.820 0.158 0.000 1.986 19 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 19 A C 1.863 179.506 177.584 0.098 0.000 1.171 19 A CA 2.472 54.569 52.037 0.100 0.000 0.640 19 A CB -1.720 17.337 19.000 0.095 0.000 0.811 19 A HN 0.357 nan 8.150 nan 0.000 0.451 20 T N -2.610 112.016 114.554 0.120 0.000 3.145 20 T HA 0.439 4.789 4.350 -0.000 0.000 0.255 20 T C 1.266 176.061 174.700 0.158 0.000 1.039 20 T CA 0.034 62.181 62.100 0.080 0.000 0.928 20 T CB -0.032 68.823 68.868 -0.021 0.000 1.029 20 T HN 0.276 nan 8.240 nan 0.000 0.554 21 L N 0.470 121.843 121.223 0.249 0.000 2.217 21 L HA 0.132 4.472 4.340 -0.000 0.000 0.211 21 L C 3.044 179.967 176.870 0.089 0.000 1.107 21 L CA 1.024 55.972 54.840 0.180 0.000 0.783 21 L CB -0.530 41.577 42.059 0.080 0.000 0.919 21 L HN 0.409 nan 8.230 nan 0.000 0.442 22 A N -0.374 122.489 122.820 0.071 0.000 1.873 22 A HA 0.011 4.331 4.320 -0.000 0.000 0.215 22 A C 1.198 178.793 177.584 0.020 0.000 1.186 22 A CA 1.347 53.403 52.037 0.032 0.000 0.616 22 A CB 0.047 19.059 19.000 0.021 0.000 0.823 22 A HN 0.347 nan 8.150 nan 0.000 0.442 23 I N -3.504 117.080 120.570 0.025 0.000 3.171 23 I HA 0.227 4.397 4.170 -0.000 0.000 0.312 23 I C -0.517 175.610 176.117 0.017 0.000 1.402 23 I CA -0.534 60.768 61.300 0.003 0.000 0.926 23 I CB 1.645 39.624 38.000 -0.035 0.000 1.320 23 I HN 0.057 nan 8.210 nan 0.000 0.522 24 S N 2.182 117.888 115.700 0.010 0.000 2.549 24 S HA 0.084 4.554 4.470 -0.000 0.000 0.283 24 S C 1.092 175.736 174.600 0.074 0.000 1.320 24 S CA 0.509 58.747 58.200 0.063 0.000 1.058 24 S CB 0.870 64.150 63.200 0.135 0.000 0.882 24 S HN 0.710 nan 8.310 nan 0.000 0.498 25 K N 3.129 123.574 120.400 0.076 0.000 2.127 25 K HA -0.229 4.091 4.320 -0.000 0.000 0.208 25 K C 1.584 178.253 176.600 0.114 0.000 1.047 25 K CA 2.100 58.428 56.287 0.068 0.000 0.927 25 K CB -0.204 32.323 32.500 0.045 0.000 0.716 25 K HN 0.707 nan 8.250 nan 0.000 0.450 26 Q N 0.218 120.138 119.800 0.200 0.000 2.515 26 Q HA 0.056 4.396 4.340 -0.000 0.000 0.212 26 Q C 1.428 177.620 176.000 0.320 0.000 0.970 26 Q CA 0.587 56.560 55.803 0.283 0.000 0.941 26 Q CB 0.224 29.169 28.738 0.346 0.000 0.998 26 Q HN 0.375 nan 8.270 nan 0.000 0.518 27 L N -0.634 120.688 121.223 0.164 0.000 2.513 27 L HA 0.166 4.506 4.340 -0.000 0.000 0.222 27 L C 0.251 177.130 176.870 0.014 0.000 1.096 27 L CA -0.166 54.693 54.840 0.032 0.000 0.857 27 L CB 0.051 42.021 42.059 -0.149 0.000 1.026 27 L HN 0.175 nan 8.230 nan 0.000 0.469 28 L N 0.901 122.143 121.223 0.033 0.000 2.483 28 L HA 0.112 4.452 4.340 -0.000 0.000 0.275 28 L C -2.143 174.741 176.870 0.024 0.000 1.220 28 L CA -1.680 53.170 54.840 0.018 0.000 0.833 28 L CB -0.436 41.640 42.059 0.028 0.000 1.102 28 L HN -0.196 nan 8.230 nan 0.000 0.490 29 P HA 0.151 nan 4.420 nan 0.000 0.279 29 P C -0.922 176.410 177.300 0.053 0.000 1.239 29 P CA -0.303 62.802 63.100 0.009 0.000 0.789 29 P CB 1.132 32.814 31.700 -0.030 0.000 0.933 30 V N 5.731 125.716 119.914 0.118 0.000 2.294 30 V HA 0.154 4.274 4.120 -0.000 0.000 0.272 30 V C 0.530 176.760 176.094 0.227 0.000 1.027 30 V CA 0.041 62.402 62.300 0.101 0.000 0.823 30 V CB -0.777 30.997 31.823 -0.082 0.000 1.030 30 V HN 0.682 nan 8.190 nan 0.000 0.457 31 Y N 4.593 124.910 120.300 0.027 0.000 2.749 31 Y HA -0.431 4.119 4.550 -0.000 0.000 0.477 31 Y C 1.333 177.248 175.900 0.026 0.000 1.115 31 Y CA 2.593 60.709 58.100 0.026 0.000 2.869 31 Y CB -0.950 37.532 38.460 0.036 0.000 1.077 31 Y HN 0.751 nan 8.280 nan 0.000 0.595 32 D N 0.870 121.157 120.400 -0.189 0.000 2.520 32 D HA 0.220 4.860 4.640 -0.000 0.000 0.223 32 D C -0.079 176.102 176.300 -0.198 0.000 1.186 32 D CA 0.511 54.289 54.000 -0.369 0.000 0.821 32 D CB 0.147 40.631 40.800 -0.527 0.000 1.072 32 D HN 0.700 nan 8.370 nan 0.000 0.518 33 K N -0.720 119.615 120.400 -0.108 0.000 2.536 33 K HA 0.607 4.927 4.320 -0.000 0.000 0.269 33 K C -3.401 173.039 176.600 -0.266 0.000 0.965 33 K CA -2.017 54.089 56.287 -0.301 0.000 0.860 33 K CB 1.596 33.904 32.500 -0.320 0.000 1.423 33 K HN -0.348 nan 8.250 nan 0.000 0.438 34 P HA -0.007 nan 4.420 nan 0.000 0.268 34 P C 0.709 178.017 177.300 0.014 0.000 1.205 34 P CA -0.247 62.717 63.100 -0.227 0.000 0.771 34 P CB 0.510 32.040 31.700 -0.283 0.000 0.858 35 M N 3.834 123.539 119.600 0.176 0.000 2.103 35 M HA -0.236 4.244 4.480 -0.000 0.000 0.255 35 M C 1.638 178.181 176.300 0.405 0.000 1.074 35 M CA 2.047 57.541 55.300 0.325 0.000 1.090 35 M CB -0.515 32.203 32.600 0.196 0.000 1.325 35 M HN 0.332 nan 8.290 nan 0.000 0.403 36 I N -0.205 120.570 120.570 0.342 0.000 2.850 36 I HA -0.296 3.874 4.170 -0.000 0.000 0.266 36 I C 1.324 177.700 176.117 0.432 0.000 1.257 36 I CA 0.867 62.382 61.300 0.359 0.000 1.465 36 I CB -0.162 38.055 38.000 0.362 0.000 1.091 36 I HN 0.333 nan 8.210 nan 0.000 0.467 37 Y N 0.173 120.566 120.300 0.155 0.000 2.274 37 Y HA -0.254 4.296 4.550 -0.000 0.000 0.290 37 Y C 2.129 178.005 175.900 -0.040 0.000 1.145 37 Y CA 1.093 59.203 58.100 0.017 0.000 1.203 37 Y CB -1.297 37.064 38.460 -0.165 0.000 0.984 37 Y HN 0.254 nan 8.280 nan 0.000 0.533 38 Y N -0.148 120.342 120.300 0.316 0.000 2.070 38 Y HA -0.188 4.362 4.550 -0.000 0.000 0.279 38 Y C -0.052 175.994 175.900 0.243 0.000 1.134 38 Y CA 1.666 59.914 58.100 0.246 0.000 1.113 38 Y CB -2.182 36.392 38.460 0.190 0.000 0.981 38 Y HN 0.077 nan 8.280 nan 0.000 0.487 39 P HA -0.175 nan 4.420 nan 0.000 0.215 39 P C 1.842 179.275 177.300 0.221 0.000 1.153 39 P CA 1.192 64.468 63.100 0.294 0.000 0.853 39 P CB -0.133 31.709 31.700 0.237 0.000 0.788 40 L N 0.888 122.230 121.223 0.198 0.000 1.997 40 L HA -0.226 4.114 4.340 -0.000 0.000 0.216 40 L C 2.433 179.395 176.870 0.154 0.000 1.074 40 L CA 2.825 57.759 54.840 0.157 0.000 0.763 40 L CB -1.767 40.390 42.059 0.164 0.000 0.890 40 L HN 0.060 nan 8.230 nan 0.000 0.434 41 S N -2.867 112.921 115.700 0.146 0.000 2.419 41 S HA -0.184 4.286 4.470 -0.000 0.000 0.233 41 S C 1.866 176.579 174.600 0.188 0.000 1.016 41 S CA 1.457 59.735 58.200 0.130 0.000 0.974 41 S CB -1.105 62.157 63.200 0.103 0.000 0.786 41 S HN 0.572 nan 8.310 nan 0.000 0.492 42 T N 3.255 117.957 114.554 0.247 0.000 2.674 42 T HA 0.057 4.407 4.350 -0.000 0.000 0.265 42 T C 1.722 176.510 174.700 0.146 0.000 1.039 42 T CA 1.698 63.959 62.100 0.269 0.000 1.150 42 T CB -0.601 68.462 68.868 0.326 0.000 0.864 42 T HN 0.359 nan 8.240 nan 0.000 0.427 43 L N 0.384 121.680 121.223 0.122 0.000 2.042 43 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 43 L C 2.732 179.689 176.870 0.145 0.000 1.076 43 L CA 1.402 56.295 54.840 0.088 0.000 0.749 43 L CB -0.683 41.419 42.059 0.072 0.000 0.893 43 L HN 0.329 nan 8.230 nan 0.000 0.432 44 M N -0.390 119.323 119.600 0.188 0.000 2.080 44 M HA -0.247 4.233 4.480 -0.000 0.000 0.260 44 M C 2.228 178.609 176.300 0.136 0.000 1.068 44 M CA 1.848 57.321 55.300 0.288 0.000 1.109 44 M CB -0.552 32.204 32.600 0.260 0.000 1.342 44 M HN 0.217 nan 8.290 nan 0.000 0.405 45 L N -0.186 121.068 121.223 0.053 0.000 2.362 45 L HA -0.053 4.287 4.340 -0.000 0.000 0.219 45 L C 2.299 179.100 176.870 -0.115 0.000 1.134 45 L CA 0.333 55.138 54.840 -0.058 0.000 0.807 45 L CB -0.595 41.474 42.059 0.017 0.000 0.927 45 L HN 0.256 nan 8.230 nan 0.000 0.447 46 A N -0.287 122.527 122.820 -0.010 0.000 2.302 46 A HA 0.370 4.690 4.320 -0.000 0.000 0.219 46 A C 1.738 179.366 177.584 0.073 0.000 1.243 46 A CA 0.560 52.610 52.037 0.021 0.000 0.856 46 A CB -0.628 18.459 19.000 0.145 0.000 0.893 46 A HN 0.471 nan 8.150 nan 0.000 0.491 47 G N -0.699 108.166 108.800 0.109 0.000 2.148 47 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.254 47 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.254 47 G C 0.078 175.173 174.900 0.326 0.000 0.981 47 G CA 0.404 45.661 45.100 0.262 0.000 0.670 47 G HN 0.517 nan 8.290 nan 0.000 0.528 48 I N -0.085 120.638 120.570 0.254 0.000 2.342 48 I HA 0.385 4.555 4.170 -0.000 0.000 0.291 48 I C 1.492 177.618 176.117 0.014 0.000 1.010 48 I CA -0.542 60.825 61.300 0.111 0.000 1.308 48 I CB 1.261 39.312 38.000 0.085 0.000 1.400 48 I HN 0.051 nan 8.210 nan 0.000 0.488 49 R N 3.230 123.604 120.500 -0.211 0.000 2.373 49 R HA 0.172 4.512 4.340 -0.000 0.000 0.221 49 R C 0.137 176.322 176.300 -0.191 0.000 0.893 49 R CA 0.006 55.845 56.100 -0.435 0.000 1.049 49 R CB 0.620 30.413 30.300 -0.845 0.000 1.119 49 R HN 0.551 nan 8.270 nan 0.000 0.535 50 E N 1.519 121.672 120.200 -0.079 0.000 2.129 50 E HA 0.412 4.762 4.350 -0.000 0.000 0.268 50 E C -1.201 175.510 176.600 0.184 0.000 0.900 50 E CA -0.278 56.140 56.400 0.030 0.000 0.755 50 E CB 0.919 30.619 29.700 -0.000 0.000 1.117 50 E HN 0.032 nan 8.360 nan 0.000 0.410 51 I N 4.609 125.261 120.570 0.137 0.000 2.692 51 I HA 0.248 4.418 4.170 -0.000 0.000 0.293 51 I C -1.386 174.523 176.117 -0.347 0.000 1.200 51 I CA -1.036 60.257 61.300 -0.012 0.000 1.036 51 I CB 1.924 39.889 38.000 -0.059 0.000 1.258 51 I HN 0.446 nan 8.210 nan 0.000 0.421 52 L N 7.516 128.325 121.223 -0.689 0.000 2.296 52 L HA 0.615 4.955 4.340 -0.000 0.000 0.286 52 L C -0.987 175.550 176.870 -0.555 0.000 1.023 52 L CA -0.018 54.274 54.840 -0.913 0.000 0.812 52 L CB 1.185 42.299 42.059 -1.576 0.000 1.223 52 L HN 0.384 nan 8.230 nan 0.000 0.421 53 I N 6.380 126.628 120.570 -0.536 0.000 2.339 53 I HA 0.386 4.556 4.170 -0.000 0.000 0.290 53 I C -0.482 175.484 176.117 -0.252 0.000 0.994 53 I CA -0.349 60.714 61.300 -0.395 0.000 1.191 53 I CB 1.314 39.044 38.000 -0.449 0.000 1.343 53 I HN 0.517 nan 8.210 nan 0.000 0.458 54 I N 5.351 125.793 120.570 -0.213 0.000 2.441 54 I HA 0.491 4.661 4.170 -0.000 0.000 0.295 54 I C 0.105 176.164 176.117 -0.097 0.000 0.994 54 I CA -0.071 61.154 61.300 -0.125 0.000 1.144 54 I CB 1.927 39.850 38.000 -0.129 0.000 1.314 54 I HN 0.517 nan 8.210 nan 0.000 0.445 55 S N 2.325 118.023 115.700 -0.004 0.000 2.672 55 S HA 0.471 4.941 4.470 -0.000 0.000 0.271 55 S C -0.493 174.161 174.600 0.089 0.000 1.171 55 S CA -0.540 57.694 58.200 0.056 0.000 0.817 55 S CB 1.540 64.836 63.200 0.160 0.000 1.150 55 S HN 0.765 nan 8.310 nan 0.000 0.478 56 T N 1.086 115.708 114.554 0.115 0.000 2.855 56 T HA 0.278 4.628 4.350 -0.000 0.000 0.314 56 T C -1.995 172.755 174.700 0.083 0.000 1.077 56 T CA -0.573 61.578 62.100 0.086 0.000 1.095 56 T CB -0.013 68.906 68.868 0.086 0.000 0.987 56 T HN 0.355 nan 8.240 nan 0.000 0.546 57 P HA -0.152 nan 4.420 nan 0.000 0.216 57 P C 1.909 179.232 177.300 0.039 0.000 1.153 57 P CA 1.122 64.248 63.100 0.043 0.000 0.848 57 P CB -0.051 31.667 31.700 0.030 0.000 0.787 58 Q N -0.651 119.172 119.800 0.037 0.000 2.230 58 Q HA -0.102 4.238 4.340 -0.000 0.000 0.202 58 Q C 0.939 176.952 176.000 0.021 0.000 0.963 58 Q CA 1.471 57.287 55.803 0.022 0.000 0.866 58 Q CB -0.994 27.754 28.738 0.016 0.000 0.931 58 Q HN 0.282 nan 8.270 nan 0.000 0.452 59 D N 0.672 121.108 120.400 0.061 0.000 2.346 59 D HA 0.033 4.672 4.640 -0.000 0.000 0.206 59 D C 1.336 177.723 176.300 0.145 0.000 1.001 59 D CA 0.610 54.641 54.000 0.052 0.000 0.871 59 D CB 0.277 41.139 40.800 0.104 0.000 0.943 59 D HN 0.205 nan 8.370 nan 0.000 0.518 60 T N 1.856 116.525 114.554 0.192 0.000 2.665 60 T HA -0.116 4.234 4.350 -0.000 0.000 0.268 60 T C -0.879 173.846 174.700 0.043 0.000 1.035 60 T CA 1.212 63.439 62.100 0.212 0.000 1.151 60 T CB -0.867 68.084 68.868 0.139 0.000 0.862 60 T HN 0.161 nan 8.240 nan 0.000 0.438 61 P HA -0.068 nan 4.420 nan 0.000 0.216 61 P C 1.433 178.658 177.300 -0.124 0.000 1.153 61 P CA 1.249 64.284 63.100 -0.109 0.000 0.858 61 P CB -0.066 31.589 31.700 -0.076 0.000 0.789 62 R N -1.747 118.678 120.500 -0.125 0.000 2.092 62 R HA -0.039 4.301 4.340 -0.000 0.000 0.231 62 R C 2.298 178.473 176.300 -0.208 0.000 1.119 62 R CA 1.164 57.144 56.100 -0.199 0.000 0.970 62 R CB -0.924 29.197 30.300 -0.300 0.000 0.864 62 R HN 0.246 nan 8.270 nan 0.000 0.440 63 F N 1.401 121.351 119.950 0.000 0.000 2.171 63 F HA -0.172 4.355 4.527 -0.000 0.000 0.300 63 F C 2.708 178.518 175.800 0.016 0.000 1.090 63 F CA 1.226 59.279 58.000 0.088 0.000 1.293 63 F CB -0.212 38.922 39.000 0.223 0.000 1.013 63 F HN 0.032 nan 8.300 nan 0.000 0.486 64 Q N -0.201 119.499 119.800 -0.166 0.000 2.084 64 Q HA -0.281 4.059 4.340 -0.000 0.000 0.202 64 Q C 2.206 178.113 176.000 -0.155 0.000 0.978 64 Q CA 1.585 57.092 55.803 -0.494 0.000 0.844 64 Q CB -0.226 28.087 28.738 -0.709 0.000 0.898 64 Q HN 0.271 nan 8.270 nan 0.000 0.426 65 Q N 0.425 120.155 119.800 -0.116 0.000 2.170 65 Q HA -0.164 4.176 4.340 -0.000 0.000 0.203 65 Q C 1.697 177.684 176.000 -0.022 0.000 0.976 65 Q CA 1.102 56.863 55.803 -0.071 0.000 0.858 65 Q CB -0.095 28.598 28.738 -0.076 0.000 0.907 65 Q HN 0.354 nan 8.270 nan 0.000 0.433 66 L N -1.380 119.857 121.223 0.023 0.000 2.162 66 L HA 0.140 4.480 4.340 -0.000 0.000 0.205 66 L C 1.387 178.317 176.870 0.099 0.000 1.086 66 L CA 1.404 56.295 54.840 0.085 0.000 0.778 66 L CB 0.080 42.219 42.059 0.133 0.000 0.928 66 L HN 0.285 nan 8.230 nan 0.000 0.446 67 L N -1.044 120.244 121.223 0.108 0.000 2.638 67 L HA 0.421 4.761 4.340 -0.000 0.000 0.232 67 L C 1.424 178.227 176.870 -0.111 0.000 1.099 67 L CA 0.167 54.998 54.840 -0.014 0.000 0.883 67 L CB -0.601 41.556 42.059 0.164 0.000 1.136 67 L HN 0.430 nan 8.230 nan 0.000 0.492 68 G N 2.386 111.176 108.800 -0.018 0.000 2.581 68 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.291 68 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.291 68 G C 0.333 175.274 174.900 0.068 0.000 1.277 68 G CA 0.587 45.672 45.100 -0.026 0.000 0.959 68 G HN 0.528 nan 8.290 nan 0.000 0.554 69 D N 0.269 120.672 120.400 0.004 0.000 2.339 69 D HA 0.375 5.015 4.640 -0.000 0.000 0.217 69 D C 1.836 178.108 176.300 -0.047 0.000 1.050 69 D CA 1.240 55.258 54.000 0.031 0.000 0.856 69 D CB -0.220 40.593 40.800 0.022 0.000 0.922 69 D HN 2.169 nan 8.370 nan 0.000 0.518 70 G N 0.493 109.204 108.800 -0.148 0.000 2.225 70 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.254 70 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.254 70 G C 1.367 176.200 174.900 -0.112 0.000 0.988 70 G CA 1.011 46.001 45.100 -0.183 0.000 0.625 70 G HN 0.678 nan 8.290 nan 0.000 0.527 71 S N 0.902 116.555 115.700 -0.079 0.000 2.387 71 S HA -0.190 4.280 4.470 -0.000 0.000 0.230 71 S C 1.895 176.500 174.600 0.008 0.000 1.035 71 S CA 1.811 59.998 58.200 -0.022 0.000 1.014 71 S CB -0.385 62.805 63.200 -0.018 0.000 0.836 71 S HN 0.488 nan 8.310 nan 0.000 0.466 72 N N 0.299 118.959 118.700 -0.067 0.000 2.453 72 N HA -0.022 4.718 4.740 -0.000 0.000 0.183 72 N C 0.111 175.782 175.510 0.268 0.000 1.041 72 N CA 0.869 53.931 53.050 0.020 0.000 0.900 72 N CB -0.321 38.121 38.487 -0.075 0.000 0.961 72 N HN 0.652 nan 8.380 nan 0.000 0.443 73 W N -0.118 121.232 121.300 0.084 0.000 2.966 73 W HA 0.463 5.123 4.660 0.000 0.000 0.406 73 W C 1.131 177.751 176.519 0.168 0.000 1.027 73 W CA -0.586 56.830 57.345 0.118 0.000 1.930 73 W CB -0.832 28.688 29.460 0.099 0.000 1.144 73 W HN 0.029 nan 8.180 nan 0.000 0.626 74 G N 1.087 110.067 108.800 0.300 0.000 2.187 74 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.261 74 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.261 74 G C 0.223 175.155 174.900 0.054 0.000 1.000 74 G CA 0.532 45.750 45.100 0.196 0.000 0.718 74 G HN 0.224 nan 8.290 nan 0.000 0.519 75 L N -0.755 120.523 121.223 0.093 0.000 2.416 75 L HA 0.688 5.028 4.340 -0.000 0.000 0.263 75 L C 0.154 176.994 176.870 -0.049 0.000 1.065 75 L CA -0.858 53.973 54.840 -0.015 0.000 0.798 75 L CB 0.940 43.052 42.059 0.089 0.000 1.267 75 L HN 0.083 nan 8.230 nan 0.000 0.467 76 D N 1.197 121.559 120.400 -0.063 0.000 2.408 76 D HA 0.374 5.014 4.640 -0.000 0.000 0.261 76 D C -0.999 175.281 176.300 -0.034 0.000 1.190 76 D CA -0.255 53.722 54.000 -0.038 0.000 0.910 76 D CB 0.437 41.215 40.800 -0.036 0.000 1.097 76 D HN 0.246 nan 8.370 nan 0.000 0.522 77 L N 2.275 123.460 121.223 -0.063 0.000 2.334 77 L HA 0.490 4.830 4.340 -0.000 0.000 0.277 77 L C 0.592 177.345 176.870 -0.195 0.000 1.075 77 L CA -0.535 54.205 54.840 -0.167 0.000 0.804 77 L CB 1.408 43.346 42.059 -0.201 0.000 1.174 77 L HN 0.260 nan 8.230 nan 0.000 0.438 78 Q N 1.395 120.971 119.800 -0.372 0.000 2.528 78 Q HA 0.581 4.920 4.340 -0.000 0.000 0.289 78 Q C -1.863 173.782 176.000 -0.591 0.000 1.091 78 Q CA -0.811 54.829 55.803 -0.272 0.000 0.797 78 Q CB 3.044 31.716 28.738 -0.109 0.000 1.466 78 Q HN 0.346 nan 8.270 nan 0.000 0.436 79 Y N -0.616 119.624 120.300 -0.100 0.000 2.492 79 Y HA 0.793 5.343 4.550 -0.000 0.000 0.346 79 Y C -0.551 175.300 175.900 -0.081 0.000 0.997 79 Y CA -0.831 57.212 58.100 -0.094 0.000 1.025 79 Y CB 2.379 40.817 38.460 -0.036 0.000 1.263 79 Y HN 0.673 nan 8.280 nan 0.000 0.454 80 A N 1.322 124.175 122.820 0.054 0.000 2.539 80 A HA 0.852 5.172 4.320 -0.000 0.000 0.296 80 A C -1.774 175.828 177.584 0.031 0.000 1.073 80 A CA -0.774 51.278 52.037 0.025 0.000 0.700 80 A CB 1.198 20.179 19.000 -0.033 0.000 1.296 80 A HN 0.460 nan 8.150 nan 0.000 0.405 81 V N 1.045 120.977 119.914 0.030 0.000 2.612 81 V HA 0.510 4.630 4.120 -0.000 0.000 0.301 81 V C 0.185 176.288 176.094 0.014 0.000 1.046 81 V CA -0.404 61.915 62.300 0.032 0.000 0.946 81 V CB 1.586 33.430 31.823 0.035 0.000 1.003 81 V HN 0.903 nan 8.190 nan 0.000 0.459 82 Q N 4.905 124.714 119.800 0.016 0.000 2.425 82 Q HA 0.339 4.678 4.340 -0.000 0.000 0.254 82 Q C -2.006 174.006 176.000 0.020 0.000 1.032 82 Q CA -1.743 54.065 55.803 0.010 0.000 0.798 82 Q CB 1.979 30.718 28.738 0.002 0.000 1.210 82 Q HN 0.462 nan 8.270 nan 0.000 0.491 83 P HA -0.109 nan 4.420 nan 0.000 0.218 83 P C -0.319 176.995 177.300 0.022 0.000 1.146 83 P CA 0.889 64.001 63.100 0.020 0.000 0.813 83 P CB 0.346 32.056 31.700 0.016 0.000 0.778 84 S N -2.426 113.287 115.700 0.020 0.000 2.537 84 S HA 0.443 4.913 4.470 -0.000 0.000 0.271 84 S C -3.007 171.605 174.600 0.021 0.000 1.148 84 S CA -1.471 56.742 58.200 0.022 0.000 0.868 84 S CB 1.069 64.281 63.200 0.019 0.000 1.115 84 S HN -0.285 nan 8.310 nan 0.000 0.461 85 P HA 0.339 nan 4.420 nan 0.000 0.237 85 P C -0.616 176.697 177.300 0.021 0.000 1.788 85 P CA -0.075 63.039 63.100 0.023 0.000 1.061 85 P CB -0.221 31.495 31.700 0.027 0.000 1.967 86 D N 1.142 121.553 120.400 0.019 0.000 2.325 86 D HA 0.284 4.924 4.640 -0.000 0.000 0.225 86 D C 1.085 177.396 176.300 0.020 0.000 1.096 86 D CA 0.624 54.635 54.000 0.018 0.000 0.844 86 D CB 0.299 41.108 40.800 0.015 0.000 0.925 86 D HN 0.351 nan 8.370 nan 0.000 0.513 87 G N -0.259 108.555 108.800 0.022 0.000 2.326 87 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.478 87 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.478 87 G C 0.481 175.397 174.900 0.027 0.000 1.551 87 G CA -0.870 44.246 45.100 0.028 0.000 0.946 87 G HN 0.087 nan 8.290 nan 0.000 0.671 88 L N 1.151 122.396 121.223 0.038 0.000 2.079 88 L HA -0.063 4.277 4.340 -0.000 0.000 0.210 88 L C 3.239 180.127 176.870 0.029 0.000 1.081 88 L CA 2.053 56.913 54.840 0.033 0.000 0.752 88 L CB -0.581 41.510 42.059 0.054 0.000 0.896 88 L HN 0.851 nan 8.230 nan 0.000 0.433 89 A N -0.506 122.346 122.820 0.053 0.000 2.076 89 A HA -0.246 4.074 4.320 -0.000 0.000 0.220 89 A C 2.244 179.888 177.584 0.100 0.000 1.160 89 A CA 1.400 53.505 52.037 0.114 0.000 0.653 89 A CB -0.472 18.569 19.000 0.068 0.000 0.801 89 A HN 0.500 nan 8.150 nan 0.000 0.455 90 Q N -0.874 118.946 119.800 0.033 0.000 2.297 90 Q HA -0.165 4.175 4.340 -0.000 0.000 0.208 90 Q C 2.331 178.309 176.000 -0.035 0.000 0.981 90 Q CA 0.962 56.773 55.803 0.013 0.000 0.876 90 Q CB -0.388 28.351 28.738 0.002 0.000 0.921 90 Q HN 0.749 nan 8.270 nan 0.000 0.446 91 A N 0.194 122.944 122.820 -0.117 0.000 1.948 91 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 91 A C 1.601 178.963 177.584 -0.370 0.000 1.177 91 A CA 1.348 53.205 52.037 -0.299 0.000 0.636 91 A CB -0.728 17.980 19.000 -0.486 0.000 0.815 91 A HN 0.376 nan 8.150 nan 0.000 0.449 92 F N -0.456 119.483 119.950 -0.018 0.000 2.367 92 F HA 0.066 4.593 4.527 -0.000 0.000 0.298 92 F C 2.025 177.823 175.800 -0.004 0.000 1.094 92 F CA 0.629 58.620 58.000 -0.015 0.000 1.409 92 F CB -0.121 38.839 39.000 -0.067 0.000 1.064 92 F HN 0.105 nan 8.300 nan 0.000 0.528 93 L N -0.423 120.862 121.223 0.104 0.000 2.049 93 L HA -0.141 4.199 4.340 -0.000 0.000 0.203 93 L C 2.294 179.188 176.870 0.040 0.000 1.074 93 L CA 1.285 56.164 54.840 0.066 0.000 0.749 93 L CB -0.719 41.366 42.059 0.043 0.000 0.907 93 L HN 0.087 nan 8.230 nan 0.000 0.439 94 I N 0.331 120.905 120.570 0.007 0.000 2.335 94 I HA -0.197 3.973 4.170 -0.000 0.000 0.251 94 I C 2.159 178.279 176.117 0.005 0.000 1.129 94 I CA 1.491 62.789 61.300 -0.005 0.000 1.402 94 I CB -0.488 37.491 38.000 -0.034 0.000 1.069 94 I HN 0.277 nan 8.210 nan 0.000 0.424 95 G N -0.509 108.290 108.800 -0.001 0.000 3.189 95 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.225 95 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.225 95 G C 1.232 176.229 174.900 0.162 0.000 1.159 95 G CA -0.127 45.009 45.100 0.059 0.000 0.763 95 G HN 0.369 nan 8.290 nan 0.000 0.549 96 E N 1.514 121.787 120.200 0.122 0.000 2.048 96 E HA -0.272 4.078 4.350 -0.000 0.000 0.202 96 E C 2.663 179.325 176.600 0.103 0.000 1.021 96 E CA 2.041 58.512 56.400 0.117 0.000 0.825 96 E CB -0.111 29.637 29.700 0.080 0.000 0.756 96 E HN 0.478 nan 8.360 nan 0.000 0.454 97 S N -0.410 115.347 115.700 0.096 0.000 2.428 97 S HA -0.152 4.317 4.470 -0.000 0.000 0.230 97 S C 1.914 176.565 174.600 0.085 0.000 1.014 97 S CA 0.794 59.037 58.200 0.072 0.000 0.957 97 S CB -0.570 62.668 63.200 0.063 0.000 0.784 97 S HN 0.463 nan 8.310 nan 0.000 0.499 98 F N 2.271 122.223 119.950 0.003 0.000 2.134 98 F HA 0.106 4.633 4.527 -0.000 0.000 0.299 98 F C 1.786 177.589 175.800 0.006 0.000 1.097 98 F CA 1.152 59.148 58.000 -0.006 0.000 1.264 98 F CB -0.309 38.676 39.000 -0.023 0.000 1.001 98 F HN 0.176 nan 8.300 nan 0.000 0.479 99 I N -0.158 120.387 120.570 -0.040 0.000 2.333 99 I HA 0.018 4.188 4.170 -0.000 0.000 0.246 99 I C 2.033 178.079 176.117 -0.118 0.000 1.106 99 I CA 0.801 62.034 61.300 -0.112 0.000 1.411 99 I CB -1.150 36.915 38.000 0.108 0.000 1.082 99 I HN 0.436 nan 8.210 nan 0.000 0.420 100 G N 1.366 110.134 108.800 -0.053 0.000 2.583 100 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.292 100 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.292 100 G C 0.375 175.261 174.900 -0.023 0.000 1.203 100 G CA 0.455 45.528 45.100 -0.045 0.000 0.987 100 G HN 0.329 nan 8.290 nan 0.000 0.554 101 N N 2.687 121.368 118.700 -0.031 0.000 2.320 101 N HA 0.236 4.976 4.740 -0.000 0.000 0.237 101 N C -0.331 175.172 175.510 -0.013 0.000 1.129 101 N CA 0.345 53.386 53.050 -0.014 0.000 0.854 101 N CB 0.059 38.538 38.487 -0.015 0.000 1.083 101 N HN 0.497 nan 8.380 nan 0.000 0.504 102 D N -0.040 120.347 120.400 -0.022 0.000 2.385 102 D HA 0.278 4.918 4.640 -0.000 0.000 0.254 102 D C 0.793 177.113 176.300 0.033 0.000 1.053 102 D CA -0.514 53.478 54.000 -0.012 0.000 0.992 102 D CB 1.941 42.710 40.800 -0.053 0.000 1.145 102 D HN -0.070 nan 8.370 nan 0.000 0.523 103 L N 0.560 121.812 121.223 0.047 0.000 2.482 103 L HA 0.163 4.503 4.340 -0.000 0.000 0.273 103 L C 0.987 177.923 176.870 0.110 0.000 1.228 103 L CA 0.310 55.204 54.840 0.090 0.000 0.827 103 L CB 0.320 42.431 42.059 0.088 0.000 1.099 103 L HN 0.467 nan 8.230 nan 0.000 0.494 104 S N 0.293 116.094 115.700 0.168 0.000 2.671 104 S HA 0.924 5.393 4.470 -0.000 0.000 0.277 104 S C -1.105 173.583 174.600 0.146 0.000 1.165 104 S CA -0.461 57.855 58.200 0.194 0.000 0.822 104 S CB 2.219 65.614 63.200 0.325 0.000 1.150 104 S HN 0.882 nan 8.310 nan 0.000 0.479 105 A N 0.491 123.355 122.820 0.073 0.000 2.488 105 A HA 0.732 5.052 4.320 -0.000 0.000 0.295 105 A C -1.626 175.950 177.584 -0.014 0.000 1.045 105 A CA -0.581 51.358 52.037 -0.163 0.000 0.703 105 A CB 1.450 20.082 19.000 -0.613 0.000 1.271 105 A HN 1.413 nan 8.150 nan 0.000 0.400 106 L N 2.851 124.131 121.223 0.095 0.000 2.322 106 L HA 0.860 5.200 4.340 -0.000 0.000 0.281 106 L C -1.081 175.890 176.870 0.169 0.000 1.014 106 L CA -0.586 54.352 54.840 0.164 0.000 0.815 106 L CB 1.678 43.942 42.059 0.342 0.000 1.247 106 L HN 0.807 nan 8.230 nan 0.000 0.421 107 V N 6.251 126.231 119.914 0.110 0.000 2.656 107 V HA 0.514 4.634 4.120 -0.000 0.000 0.307 107 V C -0.525 175.671 176.094 0.171 0.000 1.051 107 V CA -0.757 61.632 62.300 0.148 0.000 0.893 107 V CB 2.090 33.983 31.823 0.118 0.000 0.999 107 V HN 0.748 nan 8.190 nan 0.000 0.426 108 L N 5.725 127.087 121.223 0.231 0.000 2.380 108 L HA 0.351 4.691 4.340 -0.000 0.000 0.273 108 L C 1.823 178.788 176.870 0.159 0.000 1.138 108 L CA 0.495 55.453 54.840 0.195 0.000 0.832 108 L CB 0.971 43.175 42.059 0.241 0.000 1.124 108 L HN 0.849 nan 8.230 nan 0.000 0.454 109 G N 1.357 110.220 108.800 0.104 0.000 2.498 109 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.219 109 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.219 109 G C 0.724 175.696 174.900 0.121 0.000 1.119 109 G CA 0.636 45.792 45.100 0.094 0.000 0.766 109 G HN 0.873 nan 8.290 nan 0.000 0.552 110 D N -0.975 119.489 120.400 0.106 0.000 2.424 110 D HA 0.053 4.693 4.640 -0.000 0.000 0.220 110 D C 0.081 176.394 176.300 0.022 0.000 1.150 110 D CA -0.554 53.485 54.000 0.066 0.000 0.831 110 D CB -0.621 40.205 40.800 0.043 0.000 0.981 110 D HN 0.143 nan 8.370 nan 0.000 0.500 111 N N 0.553 119.298 118.700 0.074 0.000 2.399 111 N HA 0.436 5.176 4.740 -0.000 0.000 0.295 111 N C -1.283 174.211 175.510 -0.027 0.000 1.048 111 N CA -0.616 52.442 53.050 0.013 0.000 0.886 111 N CB 2.220 40.831 38.487 0.207 0.000 1.185 111 N HN 0.072 nan 8.380 nan 0.000 0.487 112 L N 3.385 124.456 121.223 -0.254 0.000 2.376 112 L HA 0.461 4.801 4.340 -0.000 0.000 0.275 112 L C -1.536 175.135 176.870 -0.332 0.000 0.987 112 L CA -0.668 54.063 54.840 -0.181 0.000 0.828 112 L CB 0.915 42.796 42.059 -0.297 0.000 1.249 112 L HN 0.520 nan 8.230 nan 0.000 0.409 113 Y N 3.712 124.039 120.300 0.045 0.000 2.446 113 Y HA 0.583 5.132 4.550 -0.000 0.000 0.338 113 Y C -0.932 174.907 175.900 -0.101 0.000 1.055 113 Y CA -0.490 57.520 58.100 -0.151 0.000 1.101 113 Y CB 1.917 40.087 38.460 -0.484 0.000 1.221 113 Y HN 0.423 nan 8.280 nan 0.000 0.460 114 Y N 0.338 120.561 120.300 -0.128 0.000 2.480 114 Y HA 0.670 5.220 4.550 -0.000 0.000 0.329 114 Y C -0.447 175.525 175.900 0.121 0.000 1.127 114 Y CA -0.732 57.367 58.100 -0.002 0.000 1.037 114 Y CB 2.130 40.702 38.460 0.185 0.000 1.320 114 Y HN 0.771 nan 8.280 nan 0.000 0.446 115 G N 2.508 111.062 108.800 -0.411 0.000 2.358 115 G HA2 0.229 4.189 3.960 -0.000 0.000 0.301 115 G HA3 0.229 4.189 3.960 -0.000 0.000 0.301 115 G C -2.173 172.685 174.900 -0.069 0.000 1.539 115 G CA -1.186 43.832 45.100 -0.138 0.000 0.893 115 G HN 0.923 nan 8.290 nan 0.000 0.636 116 H N 0.397 119.345 119.070 -0.203 0.000 3.001 116 H HA 0.365 4.921 4.556 -0.000 0.000 0.334 116 H C 0.881 176.182 175.328 -0.046 0.000 1.034 116 H CA 2.067 58.039 56.048 -0.126 0.000 1.420 116 H CB 0.627 30.305 29.762 -0.141 0.000 1.405 116 H HN 0.667 nan 8.280 nan 0.000 0.593 117 D N 2.580 122.595 120.400 -0.642 0.000 3.012 117 D HA -0.276 4.364 4.640 -0.000 0.000 0.222 117 D C 0.732 177.062 176.300 0.050 0.000 1.167 117 D CA 1.004 54.773 54.000 -0.384 0.000 0.854 117 D CB -1.547 39.050 40.800 -0.339 0.000 1.107 117 D HN 0.490 nan 8.370 nan 0.000 0.421 118 F N 0.716 120.689 119.950 0.040 0.000 2.126 118 F HA -0.166 4.361 4.527 -0.000 0.000 0.299 118 F C 2.261 178.079 175.800 0.030 0.000 1.096 118 F CA 2.444 60.524 58.000 0.134 0.000 1.255 118 F CB -0.512 38.543 39.000 0.092 0.000 0.997 118 F HN 0.512 nan 8.300 nan 0.000 0.479 119 H N -1.289 117.724 119.070 -0.096 0.000 2.521 119 H HA -0.056 4.500 4.556 -0.000 0.000 0.286 119 H C 1.422 176.619 175.328 -0.219 0.000 1.034 119 H CA 1.202 57.102 56.048 -0.247 0.000 1.278 119 H CB 0.060 29.747 29.762 -0.124 0.000 1.386 119 H HN 0.261 nan 8.280 nan 0.000 0.567 120 E N 0.776 120.952 120.200 -0.040 0.000 2.158 120 E HA -0.051 4.299 4.350 -0.000 0.000 0.191 120 E C 2.111 178.674 176.600 -0.061 0.000 0.982 120 E CA 0.382 56.775 56.400 -0.011 0.000 0.823 120 E CB -0.077 29.555 29.700 -0.113 0.000 0.766 120 E HN 0.343 nan 8.360 nan 0.000 0.468 121 L N 0.290 121.442 121.223 -0.118 0.000 2.046 121 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 121 L C 1.776 178.474 176.870 -0.287 0.000 1.077 121 L CA 1.576 56.311 54.840 -0.174 0.000 0.747 121 L CB -0.451 41.455 42.059 -0.255 0.000 0.896 121 L HN 0.158 nan 8.230 nan 0.000 0.432 122 L N -0.907 120.047 121.223 -0.448 0.000 2.017 122 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 122 L C 2.538 179.241 176.870 -0.280 0.000 1.073 122 L CA 1.346 55.942 54.840 -0.407 0.000 0.745 122 L CB -1.429 40.385 42.059 -0.408 0.000 0.894 122 L HN 0.438 nan 8.230 nan 0.000 0.432 123 G N -0.858 107.842 108.800 -0.167 0.000 2.440 123 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.218 123 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.218 123 G C 1.708 176.525 174.900 -0.138 0.000 1.154 123 G CA 1.070 46.105 45.100 -0.108 0.000 0.767 123 G HN 0.374 nan 8.290 nan 0.000 0.552 124 S N 0.747 116.362 115.700 -0.142 0.000 2.423 124 S HA 0.114 4.584 4.470 -0.000 0.000 0.231 124 S C 2.620 177.088 174.600 -0.221 0.000 1.014 124 S CA 1.007 59.126 58.200 -0.135 0.000 0.965 124 S CB -0.120 63.024 63.200 -0.094 0.000 0.785 124 S HN 0.591 nan 8.310 nan 0.000 0.495 125 A N 0.615 123.213 122.820 -0.370 0.000 1.935 125 A HA 0.112 4.432 4.320 -0.000 0.000 0.214 125 A C 2.168 179.396 177.584 -0.593 0.000 1.178 125 A CA 1.173 52.854 52.037 -0.594 0.000 0.640 125 A CB -0.796 17.625 19.000 -0.965 0.000 0.825 125 A HN 0.408 nan 8.150 nan 0.000 0.447 126 S N -0.062 115.346 115.700 -0.486 0.000 2.419 126 S HA -0.202 4.268 4.470 -0.000 0.000 0.235 126 S C 2.111 176.688 174.600 -0.038 0.000 1.019 126 S CA 1.671 59.827 58.200 -0.073 0.000 0.982 126 S CB -0.316 62.931 63.200 0.078 0.000 0.789 126 S HN 0.812 nan 8.310 nan 0.000 0.490 127 Q N 0.150 119.892 119.800 -0.096 0.000 2.408 127 Q HA 0.116 4.456 4.340 -0.000 0.000 0.205 127 Q C 0.089 176.059 176.000 -0.051 0.000 0.919 127 Q CA -0.119 55.654 55.803 -0.050 0.000 0.932 127 Q CB -0.036 28.674 28.738 -0.046 0.000 1.058 127 Q HN 0.351 nan 8.270 nan 0.000 0.517 128 R N 1.573 122.023 120.500 -0.083 0.000 2.449 128 R HA 0.048 4.388 4.340 -0.000 0.000 0.296 128 R C 0.221 176.505 176.300 -0.026 0.000 1.047 128 R CA 0.271 56.334 56.100 -0.063 0.000 1.018 128 R CB 0.410 30.655 30.300 -0.092 0.000 0.962 128 R HN 0.376 nan 8.270 nan 0.000 0.428 129 Q N 0.573 120.367 119.800 -0.010 0.000 2.246 129 Q HA 0.049 4.389 4.340 -0.000 0.000 0.202 129 Q C 0.040 176.053 176.000 0.022 0.000 0.883 129 Q CA 0.291 56.101 55.803 0.012 0.000 0.952 129 Q CB 1.047 29.791 28.738 0.011 0.000 1.078 129 Q HN 0.462 nan 8.270 nan 0.000 0.493 130 T N -1.168 113.395 114.554 0.014 0.000 2.894 130 T HA 0.572 4.922 4.350 -0.000 0.000 0.309 130 T C -0.154 174.564 174.700 0.029 0.000 1.208 130 T CA 0.356 62.476 62.100 0.034 0.000 1.016 130 T CB 1.391 70.275 68.868 0.027 0.000 1.192 130 T HN 0.472 nan 8.240 nan 0.000 0.491 131 G N 1.798 110.651 108.800 0.088 0.000 2.598 131 G HA2 0.353 4.313 3.960 -0.000 0.000 0.244 131 G HA3 0.353 4.313 3.960 -0.000 0.000 0.244 131 G C -0.133 174.679 174.900 -0.147 0.000 1.302 131 G CA -0.136 45.013 45.100 0.082 0.000 0.903 131 G HN 1.678 nan 8.290 nan 0.000 0.575 132 A N -1.413 121.186 122.820 -0.369 0.000 2.515 132 A HA 0.941 5.261 4.320 -0.000 0.000 0.296 132 A C -0.180 177.194 177.584 -0.350 0.000 1.094 132 A CA 0.670 52.407 52.037 -0.501 0.000 0.718 132 A CB 1.833 20.277 19.000 -0.926 0.000 1.307 132 A HN 1.958 nan 8.150 nan 0.000 0.408 133 S N -0.329 115.160 115.700 -0.351 0.000 2.557 133 S HA 0.713 5.183 4.470 -0.000 0.000 0.291 133 S C -0.365 173.965 174.600 -0.449 0.000 1.116 133 S CA -0.226 57.736 58.200 -0.397 0.000 0.992 133 S CB 1.417 64.346 63.200 -0.452 0.000 1.028 133 S HN 1.848 nan 8.310 nan 0.000 0.484 134 V N -0.046 119.526 119.914 -0.571 0.000 3.156 134 V HA 0.883 5.003 4.120 -0.000 0.000 0.310 134 V C -1.819 173.755 176.094 -0.866 0.000 1.234 134 V CA -1.029 60.948 62.300 -0.538 0.000 1.065 134 V CB 1.511 33.248 31.823 -0.143 0.000 1.088 134 V HN 0.693 nan 8.190 nan 0.000 0.451 135 F N 0.204 120.064 119.950 -0.150 0.000 2.565 135 F HA 0.920 5.447 4.527 -0.000 0.000 0.313 135 F C 0.326 176.078 175.800 -0.080 0.000 1.091 135 F CA -0.250 57.675 58.000 -0.126 0.000 0.915 135 F CB 2.244 41.123 39.000 -0.202 0.000 1.208 135 F HN 0.911 nan 8.300 nan 0.000 0.453 136 A N 2.193 125.148 122.820 0.224 0.000 2.342 136 A HA 0.757 5.077 4.320 -0.000 0.000 0.323 136 A C -2.259 175.602 177.584 0.461 0.000 1.125 136 A CA -0.643 51.571 52.037 0.295 0.000 0.785 136 A CB 0.977 20.185 19.000 0.346 0.000 1.221 136 A HN 0.737 nan 8.150 nan 0.000 0.463 137 Y N 2.212 122.706 120.300 0.325 0.000 2.386 137 Y HA 0.334 4.884 4.550 -0.000 0.000 0.334 137 Y C -0.069 175.990 175.900 0.266 0.000 1.002 137 Y CA -0.607 57.687 58.100 0.323 0.000 1.068 137 Y CB 1.228 39.797 38.460 0.182 0.000 1.203 137 Y HN 0.829 nan 8.280 nan 0.000 0.443 138 H N 5.678 124.629 119.070 -0.199 0.000 2.929 138 H HA 0.465 5.021 4.556 -0.000 0.000 0.317 138 H C -0.716 174.444 175.328 -0.279 0.000 1.031 138 H CA 1.026 56.763 56.048 -0.519 0.000 1.466 138 H CB 0.468 29.907 29.762 -0.539 0.000 1.482 138 H HN 0.632 nan 8.280 nan 0.000 0.561 139 V N 3.110 122.925 119.914 -0.164 0.000 3.167 139 V HA 0.201 4.321 4.120 -0.000 0.000 0.310 139 V C 0.639 176.736 176.094 0.004 0.000 1.207 139 V CA -0.971 61.361 62.300 0.053 0.000 1.059 139 V CB 1.581 33.505 31.823 0.169 0.000 1.079 139 V HN 0.589 nan 8.190 nan 0.000 0.446 140 L N 0.067 121.332 121.223 0.069 0.000 2.131 140 L HA 0.357 4.697 4.340 -0.000 0.000 0.206 140 L C 0.923 177.821 176.870 0.046 0.000 1.087 140 L CA 1.852 56.724 54.840 0.052 0.000 0.767 140 L CB -0.277 41.813 42.059 0.051 0.000 0.917 140 L HN 0.855 nan 8.230 nan 0.000 0.441 141 D N 0.104 120.557 120.400 0.089 0.000 2.634 141 D HA 0.209 4.849 4.640 -0.000 0.000 0.318 141 D C -1.757 174.638 176.300 0.159 0.000 1.226 141 D CA -1.231 52.822 54.000 0.087 0.000 0.899 141 D CB 0.766 41.602 40.800 0.060 0.000 1.025 141 D HN 0.196 nan 8.370 nan 0.000 0.501 142 P HA -0.197 nan 4.420 nan 0.000 0.217 142 P C 1.354 178.763 177.300 0.181 0.000 1.148 142 P CA 1.064 64.288 63.100 0.206 0.000 0.828 142 P CB 0.333 32.086 31.700 0.089 0.000 0.783 143 E N 0.874 121.121 120.200 0.078 0.000 2.401 143 E HA -0.186 4.164 4.350 -0.000 0.000 0.199 143 E C 1.602 178.176 176.600 -0.043 0.000 1.023 143 E CA 0.896 57.312 56.400 0.026 0.000 0.859 143 E CB -0.672 29.032 29.700 0.006 0.000 0.780 143 E HN 0.290 nan 8.360 nan 0.000 0.523 144 R N -0.814 119.600 120.500 -0.144 0.000 2.310 144 R HA 0.173 4.513 4.340 -0.000 0.000 0.202 144 R C 0.003 175.896 176.300 -0.678 0.000 0.933 144 R CA 0.286 56.121 56.100 -0.440 0.000 1.054 144 R CB 0.253 30.159 30.300 -0.656 0.000 0.985 144 R HN 0.165 nan 8.270 nan 0.000 0.489 145 Y N -1.945 118.421 120.300 0.109 0.000 2.790 145 Y HA 0.473 5.023 4.550 -0.000 0.000 0.323 145 Y C 0.875 176.854 175.900 0.132 0.000 1.230 145 Y CA -1.516 56.676 58.100 0.154 0.000 1.121 145 Y CB 0.535 39.134 38.460 0.232 0.000 1.328 145 Y HN -0.168 nan 8.280 nan 0.000 0.514 146 G N 0.692 109.710 108.800 0.363 0.000 2.361 146 G HA2 0.446 4.406 3.960 -0.000 0.000 0.260 146 G HA3 0.446 4.406 3.960 -0.000 0.000 0.260 146 G C -1.164 173.868 174.900 0.220 0.000 1.261 146 G CA -0.157 45.085 45.100 0.236 0.000 0.897 146 G HN 0.310 nan 8.290 nan 0.000 0.499 147 V N 2.953 122.960 119.914 0.155 0.000 2.513 147 V HA 0.517 4.637 4.120 -0.000 0.000 0.299 147 V C 0.029 176.162 176.094 0.065 0.000 1.035 147 V CA -0.838 61.541 62.300 0.132 0.000 0.889 147 V CB 1.671 33.561 31.823 0.112 0.000 0.988 147 V HN 0.594 nan 8.190 nan 0.000 0.440 148 V N 4.520 124.456 119.914 0.037 0.000 2.448 148 V HA 0.572 4.692 4.120 -0.000 0.000 0.295 148 V C -0.267 175.685 176.094 -0.236 0.000 1.025 148 V CA -0.264 61.958 62.300 -0.130 0.000 0.859 148 V CB 1.617 33.299 31.823 -0.234 0.000 0.988 148 V HN 1.033 nan 8.190 nan 0.000 0.431 149 E N 5.177 125.220 120.200 -0.261 0.000 2.216 149 E HA 0.478 4.828 4.350 -0.000 0.000 0.279 149 E C -1.601 174.786 176.600 -0.355 0.000 0.997 149 E CA -0.554 55.742 56.400 -0.172 0.000 0.817 149 E CB 1.219 30.888 29.700 -0.053 0.000 1.096 149 E HN 0.658 nan 8.360 nan 0.000 0.393 150 F N 2.419 122.389 119.950 0.033 0.000 2.492 150 F HA 0.194 4.721 4.527 -0.000 0.000 0.327 150 F C 0.623 176.432 175.800 0.015 0.000 1.079 150 F CA -0.917 57.085 58.000 0.003 0.000 0.967 150 F CB 1.075 40.056 39.000 -0.031 0.000 1.169 150 F HN 0.456 nan 8.300 nan 0.000 0.472 151 D N 0.628 121.142 120.400 0.190 0.000 2.398 151 D HA 0.055 4.695 4.640 -0.000 0.000 0.247 151 D C 0.541 176.909 176.300 0.113 0.000 1.227 151 D CA -0.348 53.724 54.000 0.119 0.000 0.980 151 D CB 0.502 41.347 40.800 0.075 0.000 1.106 151 D HN 0.674 nan 8.370 nan 0.000 0.493 152 Q N -0.155 119.689 119.800 0.074 0.000 2.291 152 Q HA -0.029 4.311 4.340 -0.000 0.000 0.206 152 Q C 1.890 177.911 176.000 0.035 0.000 0.976 152 Q CA 1.330 57.164 55.803 0.052 0.000 0.875 152 Q CB -0.317 28.445 28.738 0.040 0.000 0.927 152 Q HN 0.752 nan 8.270 nan 0.000 0.450 153 G N -0.026 108.798 108.800 0.040 0.000 2.679 153 G HA2 0.108 4.068 3.960 -0.000 0.000 0.212 153 G HA3 0.108 4.068 3.960 -0.000 0.000 0.212 153 G C 0.968 175.879 174.900 0.017 0.000 1.137 153 G CA 0.412 45.526 45.100 0.024 0.000 0.787 153 G HN 0.499 nan 8.290 nan 0.000 0.534 154 G N -0.619 108.203 108.800 0.036 0.000 2.175 154 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.244 154 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.244 154 G C 0.366 175.358 174.900 0.153 0.000 0.982 154 G CA 0.222 45.313 45.100 -0.014 0.000 0.641 154 G HN 0.566 nan 8.290 nan 0.000 0.527 155 K N 0.960 121.469 120.400 0.181 0.000 2.205 155 K HA 0.635 4.955 4.320 -0.000 0.000 0.279 155 K C 0.770 177.500 176.600 0.216 0.000 1.027 155 K CA 0.118 56.515 56.287 0.183 0.000 0.932 155 K CB 1.415 33.966 32.500 0.085 0.000 1.032 155 K HN 0.506 nan 8.250 nan 0.000 0.466 156 A N 3.342 126.234 122.820 0.120 0.000 2.520 156 A HA 0.138 4.458 4.320 -0.000 0.000 0.245 156 A C 0.875 178.399 177.584 -0.099 0.000 1.072 156 A CA 0.010 51.935 52.037 -0.186 0.000 0.761 156 A CB -0.508 18.360 19.000 -0.219 0.000 1.004 156 A HN 0.950 nan 8.150 nan 0.000 0.499 157 I N -0.068 120.428 120.570 -0.123 0.000 4.526 157 I HA 0.316 4.486 4.170 -0.000 0.000 0.330 157 I C 0.347 176.431 176.117 -0.055 0.000 1.323 157 I CA 0.428 61.694 61.300 -0.057 0.000 1.218 157 I CB 0.152 38.140 38.000 -0.019 0.000 1.233 157 I HN 0.579 nan 8.210 nan 0.000 0.430 158 S N 0.798 116.447 115.700 -0.086 0.000 2.588 158 S HA 0.772 5.242 4.470 -0.000 0.000 0.269 158 S C -1.347 173.217 174.600 -0.059 0.000 1.157 158 S CA -0.716 57.454 58.200 -0.051 0.000 0.824 158 S CB 2.162 65.345 63.200 -0.027 0.000 1.126 158 S HN 0.222 nan 8.310 nan 0.000 0.464 159 L N 0.821 122.032 121.223 -0.021 0.000 2.455 159 L HA 0.687 5.027 4.340 -0.000 0.000 0.264 159 L C -0.916 175.968 176.870 0.023 0.000 0.968 159 L CA -0.455 54.386 54.840 0.001 0.000 0.827 159 L CB 2.289 44.359 42.059 0.019 0.000 1.317 159 L HN 0.820 nan 8.230 nan 0.000 0.407 160 E N 1.498 121.722 120.200 0.040 0.000 2.331 160 E HA 0.347 4.697 4.350 -0.000 0.000 0.275 160 E C -1.530 175.111 176.600 0.068 0.000 0.895 160 E CA -0.904 55.524 56.400 0.047 0.000 0.753 160 E CB 3.266 32.989 29.700 0.038 0.000 1.216 160 E HN 0.375 nan 8.360 nan 0.000 0.434 161 E N 2.195 122.433 120.200 0.064 0.000 2.174 161 E HA 0.131 4.481 4.350 -0.000 0.000 0.282 161 E C -1.039 175.596 176.600 0.059 0.000 0.992 161 E CA -0.380 56.067 56.400 0.077 0.000 0.803 161 E CB 0.503 30.245 29.700 0.071 0.000 1.090 161 E HN 0.380 nan 8.360 nan 0.000 0.396 162 K N 3.793 124.230 120.400 0.062 0.000 3.540 162 K HA -0.155 4.165 4.320 -0.000 0.000 0.274 162 K C -2.175 174.440 176.600 0.025 0.000 0.890 162 K CA 0.589 56.893 56.287 0.028 0.000 0.701 162 K CB -1.302 31.199 32.500 0.003 0.000 1.523 162 K HN 0.536 nan 8.250 nan 0.000 0.450 163 P HA -0.006 nan 4.420 nan 0.000 0.275 163 P C 0.804 178.116 177.300 0.021 0.000 1.227 163 P CA -0.235 62.882 63.100 0.028 0.000 0.781 163 P CB 0.868 32.589 31.700 0.036 0.000 0.906 164 L N 1.090 122.323 121.223 0.016 0.000 2.217 164 L HA -0.036 4.304 4.340 -0.000 0.000 0.211 164 L C 0.966 177.845 176.870 0.015 0.000 1.107 164 L CA 1.514 56.361 54.840 0.012 0.000 0.783 164 L CB -0.156 41.908 42.059 0.010 0.000 0.919 164 L HN 0.481 nan 8.230 nan 0.000 0.442 165 E N 0.074 120.286 120.200 0.020 0.000 3.108 165 E HA 0.237 4.587 4.350 -0.000 0.000 0.228 165 E C -2.301 174.316 176.600 0.028 0.000 1.176 165 E CA -1.793 54.620 56.400 0.022 0.000 0.881 165 E CB 1.079 30.791 29.700 0.020 0.000 1.354 165 E HN 0.027 nan 8.360 nan 0.000 0.400 166 P HA -0.058 nan 4.420 nan 0.000 0.264 166 P C 0.313 177.639 177.300 0.042 0.000 1.183 166 P CA 0.197 63.322 63.100 0.041 0.000 0.763 166 P CB 0.806 32.532 31.700 0.042 0.000 0.807 167 K N 0.510 120.939 120.400 0.048 0.000 2.459 167 K HA 0.088 4.408 4.320 -0.000 0.000 0.193 167 K C 0.799 177.445 176.600 0.077 0.000 1.030 167 K CA 0.478 56.797 56.287 0.053 0.000 1.026 167 K CB 0.172 32.697 32.500 0.041 0.000 0.809 167 K HN 0.675 nan 8.250 nan 0.000 0.504 168 S N -1.397 114.354 115.700 0.084 0.000 2.703 168 S HA 0.241 4.711 4.470 -0.000 0.000 0.273 168 S C -0.536 174.084 174.600 0.032 0.000 1.178 168 S CA -1.015 57.252 58.200 0.112 0.000 0.838 168 S CB 0.676 64.030 63.200 0.257 0.000 1.178 168 S HN -0.038 nan 8.310 nan 0.000 0.494 169 N N -0.152 118.495 118.700 -0.088 0.000 2.276 169 N HA 0.203 4.943 4.740 -0.000 0.000 0.212 169 N C -1.298 173.960 175.510 -0.419 0.000 1.127 169 N CA 0.220 53.062 53.050 -0.347 0.000 0.834 169 N CB -0.032 37.988 38.487 -0.777 0.000 1.014 169 N HN 0.519 nan 8.380 nan 0.000 0.491 170 Y N 0.980 121.297 120.300 0.029 0.000 2.341 170 Y HA 0.429 4.979 4.550 -0.000 0.000 0.340 170 Y C 0.504 176.478 175.900 0.124 0.000 0.997 170 Y CA -0.780 57.395 58.100 0.126 0.000 1.149 170 Y CB 1.106 39.756 38.460 0.316 0.000 1.171 170 Y HN -0.061 nan 8.280 nan 0.000 0.494 171 A N 3.320 126.288 122.820 0.246 0.000 2.312 171 A HA 0.671 4.991 4.320 -0.000 0.000 0.328 171 A C -0.840 176.810 177.584 0.111 0.000 1.158 171 A CA -0.709 51.447 52.037 0.199 0.000 0.821 171 A CB 0.645 19.739 19.000 0.156 0.000 1.170 171 A HN 0.532 nan 8.150 nan 0.000 0.490 172 V N 2.865 122.839 119.914 0.099 0.000 2.432 172 V HA 0.318 4.438 4.120 -0.000 0.000 0.271 172 V C 1.264 177.268 176.094 -0.151 0.000 1.046 172 V CA 0.255 62.572 62.300 0.028 0.000 0.945 172 V CB 0.735 32.640 31.823 0.138 0.000 0.992 172 V HN 1.143 nan 8.190 nan 0.000 0.471 173 T N 2.147 116.431 114.554 -0.449 0.000 2.729 173 T HA 0.302 4.652 4.350 -0.000 0.000 0.298 173 T C 0.972 175.426 174.700 -0.411 0.000 1.013 173 T CA 0.082 61.632 62.100 -0.916 0.000 0.957 173 T CB 1.021 68.966 68.868 -1.538 0.000 1.130 173 T HN 0.825 nan 8.240 nan 0.000 0.526 174 G N 0.321 109.041 108.800 -0.133 0.000 3.741 174 G HA2 0.468 4.428 3.960 -0.000 0.000 0.263 174 G HA3 0.468 4.428 3.960 -0.000 0.000 0.263 174 G C -0.667 174.149 174.900 -0.140 0.000 1.175 174 G CA -0.340 44.771 45.100 0.018 0.000 1.642 174 G HN 0.658 nan 8.290 nan 0.000 0.644 175 L N 0.527 121.372 121.223 -0.630 0.000 2.482 175 L HA 0.687 5.027 4.340 -0.000 0.000 0.269 175 L C -1.905 174.634 176.870 -0.552 0.000 0.967 175 L CA -1.588 53.036 54.840 -0.360 0.000 0.851 175 L CB 1.200 43.097 42.059 -0.270 0.000 1.242 175 L HN 0.169 nan 8.230 nan 0.000 0.404 176 Y N 4.509 124.796 120.300 -0.021 0.000 2.442 176 Y HA 0.654 5.204 4.550 -0.000 0.000 0.344 176 Y C -0.943 174.706 175.900 -0.417 0.000 0.976 176 Y CA -0.754 57.243 58.100 -0.171 0.000 1.040 176 Y CB 1.849 40.214 38.460 -0.158 0.000 1.228 176 Y HN 0.369 nan 8.280 nan 0.000 0.451 177 F N 2.615 122.317 119.950 -0.413 0.000 2.458 177 F HA 0.593 5.120 4.527 -0.000 0.000 0.336 177 F C -0.739 174.702 175.800 -0.600 0.000 1.114 177 F CA -1.242 56.550 58.000 -0.346 0.000 0.987 177 F CB 0.931 39.808 39.000 -0.206 0.000 1.130 177 F HN 0.375 nan 8.300 nan 0.000 0.458 178 Y N 0.927 121.282 120.300 0.091 0.000 2.576 178 Y HA 0.371 4.921 4.550 -0.000 0.000 0.346 178 Y C -0.107 175.805 175.900 0.021 0.000 1.018 178 Y CA -1.294 56.781 58.100 -0.042 0.000 1.050 178 Y CB 1.594 39.995 38.460 -0.098 0.000 1.280 178 Y HN 0.579 nan 8.280 nan 0.000 0.474 179 D N -0.720 119.805 120.400 0.209 0.000 2.530 179 D HA 0.119 4.759 4.640 -0.000 0.000 0.282 179 D C 0.139 176.529 176.300 0.151 0.000 1.204 179 D CA -0.465 53.629 54.000 0.156 0.000 1.093 179 D CB 0.344 41.226 40.800 0.137 0.000 1.154 179 D HN 0.612 nan 8.370 nan 0.000 0.593 180 Q N -1.195 118.666 119.800 0.101 0.000 2.515 180 Q HA -0.024 4.316 4.340 -0.000 0.000 0.212 180 Q C 1.576 177.594 176.000 0.030 0.000 0.970 180 Q CA 0.674 56.512 55.803 0.059 0.000 0.941 180 Q CB -0.127 28.632 28.738 0.035 0.000 0.998 180 Q HN 0.461 nan 8.270 nan 0.000 0.518 181 Q N -0.300 119.531 119.800 0.051 0.000 2.435 181 Q HA -0.032 4.308 4.340 -0.000 0.000 0.207 181 Q C 2.008 177.935 176.000 -0.121 0.000 0.956 181 Q CA 0.468 56.244 55.803 -0.045 0.000 0.917 181 Q CB 0.167 28.842 28.738 -0.104 0.000 0.997 181 Q HN 0.230 nan 8.270 nan 0.000 0.497 182 V N 0.031 119.878 119.914 -0.111 0.000 2.358 182 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 182 V C 2.022 177.901 176.094 -0.360 0.000 1.047 182 V CA 1.344 63.414 62.300 -0.383 0.000 1.035 182 V CB -0.065 31.253 31.823 -0.841 0.000 0.658 182 V HN 0.182 nan 8.190 nan 0.000 0.452 183 V N 0.582 120.387 119.914 -0.182 0.000 2.287 183 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 183 V C 2.379 178.426 176.094 -0.078 0.000 1.053 183 V CA 2.580 64.842 62.300 -0.063 0.000 1.027 183 V CB -0.800 31.037 31.823 0.022 0.000 0.646 183 V HN 0.614 nan 8.190 nan 0.000 0.447 184 D N -0.358 119.989 120.400 -0.089 0.000 2.144 184 D HA -0.094 4.546 4.640 -0.000 0.000 0.200 184 D C 2.067 178.300 176.300 -0.111 0.000 0.978 184 D CA 1.208 55.159 54.000 -0.082 0.000 0.833 184 D CB -0.103 40.650 40.800 -0.077 0.000 0.961 184 D HN 0.414 nan 8.370 nan 0.000 0.470 185 I N 1.254 121.721 120.570 -0.171 0.000 2.226 185 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 185 I C 2.465 178.495 176.117 -0.146 0.000 1.100 185 I CA 0.993 62.177 61.300 -0.193 0.000 1.374 185 I CB -0.078 37.749 38.000 -0.288 0.000 1.057 185 I HN -0.085 nan 8.210 nan 0.000 0.413 186 A N 0.368 123.100 122.820 -0.147 0.000 1.968 186 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 186 A C 2.346 179.911 177.584 -0.032 0.000 1.169 186 A CA 1.085 53.077 52.037 -0.074 0.000 0.638 186 A CB -0.472 18.512 19.000 -0.026 0.000 0.812 186 A HN 0.275 nan 8.150 nan 0.000 0.446 187 R N -0.096 120.385 120.500 -0.032 0.000 2.105 187 R HA -0.133 4.207 4.340 -0.000 0.000 0.239 187 R C 0.678 176.963 176.300 -0.025 0.000 1.135 187 R CA 1.571 57.660 56.100 -0.019 0.000 0.967 187 R CB -0.230 30.058 30.300 -0.020 0.000 0.861 187 R HN 0.437 nan 8.270 nan 0.000 0.442 188 D N 0.161 120.537 120.400 -0.040 0.000 2.340 188 D HA 0.046 4.686 4.640 -0.000 0.000 0.220 188 D C 0.331 176.612 176.300 -0.033 0.000 1.039 188 D CA 0.343 54.321 54.000 -0.037 0.000 0.866 188 D CB 0.110 40.881 40.800 -0.049 0.000 0.913 188 D HN 0.134 nan 8.370 nan 0.000 0.523 189 L N 0.715 121.919 121.223 -0.031 0.000 2.464 189 L HA 0.163 4.503 4.340 -0.000 0.000 0.264 189 L C 0.865 177.728 176.870 -0.013 0.000 1.199 189 L CA -0.000 54.825 54.840 -0.023 0.000 0.818 189 L CB 0.567 42.614 42.059 -0.020 0.000 1.102 189 L HN -0.350 nan 8.230 nan 0.000 0.473 190 K N 1.300 121.694 120.400 -0.009 0.000 2.328 190 K HA 0.509 4.829 4.320 -0.000 0.000 0.246 190 K C -2.452 174.148 176.600 0.000 0.000 0.955 190 K CA -2.100 54.185 56.287 -0.004 0.000 0.817 190 K CB 1.521 34.018 32.500 -0.005 0.000 1.208 190 K HN 0.162 nan 8.250 nan 0.000 0.432 191 P HA 0.015 nan 4.420 nan 0.000 0.268 191 P C -0.031 177.273 177.300 0.007 0.000 1.205 191 P CA 0.039 63.143 63.100 0.007 0.000 0.771 191 P CB 0.515 32.220 31.700 0.007 0.000 0.858 192 S N 3.673 119.379 115.700 0.010 0.000 2.641 192 S HA 0.241 4.711 4.470 -0.000 0.000 0.261 192 S C -1.507 173.098 174.600 0.010 0.000 1.257 192 S CA -0.779 57.427 58.200 0.010 0.000 0.983 192 S CB -0.537 62.672 63.200 0.015 0.000 0.990 192 S HN 0.243 nan 8.310 nan 0.000 0.572 193 P HA -0.063 nan 4.420 nan 0.000 0.216 193 P C 1.266 178.572 177.300 0.009 0.000 1.153 193 P CA 1.267 64.372 63.100 0.008 0.000 0.858 193 P CB -0.052 31.653 31.700 0.009 0.000 0.789 194 R N -1.502 119.005 120.500 0.011 0.000 2.293 194 R HA 0.048 4.388 4.340 -0.000 0.000 0.219 194 R C 1.312 177.620 176.300 0.012 0.000 1.091 194 R CA 0.918 57.025 56.100 0.012 0.000 1.004 194 R CB -0.850 29.459 30.300 0.014 0.000 0.865 194 R HN 0.237 nan 8.270 nan 0.000 0.469 195 G N 0.969 109.776 108.800 0.012 0.000 2.160 195 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.244 195 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.244 195 G C -0.395 174.513 174.900 0.014 0.000 1.022 195 G CA 0.021 45.128 45.100 0.012 0.000 0.741 195 G HN 0.278 nan 8.290 nan 0.000 0.508 196 E N -0.734 119.476 120.200 0.017 0.000 2.263 196 E HA 0.572 4.922 4.350 -0.000 0.000 0.264 196 E C 0.165 176.776 176.600 0.018 0.000 0.923 196 E CA -1.003 55.409 56.400 0.020 0.000 0.802 196 E CB 1.499 31.215 29.700 0.025 0.000 1.228 196 E HN 0.212 nan 8.360 nan 0.000 0.417 197 L N 2.320 123.555 121.223 0.019 0.000 2.282 197 L HA 0.171 4.511 4.340 -0.000 0.000 0.287 197 L C 0.343 177.227 176.870 0.024 0.000 1.075 197 L CA -0.309 54.542 54.840 0.018 0.000 0.839 197 L CB 0.116 42.187 42.059 0.019 0.000 1.219 197 L HN 0.133 nan 8.230 nan 0.000 0.434 198 E N 2.955 123.168 120.200 0.022 0.000 2.223 198 E HA 0.023 4.373 4.350 -0.000 0.000 0.282 198 E C 0.917 177.528 176.600 0.019 0.000 1.046 198 E CA -0.340 56.077 56.400 0.028 0.000 0.857 198 E CB 2.246 31.965 29.700 0.032 0.000 1.055 198 E HN 0.460 nan 8.360 nan 0.000 0.409 199 I N 3.403 123.980 120.570 0.012 0.000 2.423 199 I HA -0.262 3.908 4.170 -0.000 0.000 0.254 199 I C 1.893 178.013 176.117 0.005 0.000 1.151 199 I CA 1.653 62.934 61.300 -0.032 0.000 1.421 199 I CB -0.153 37.762 38.000 -0.141 0.000 1.079 199 I HN 0.454 nan 8.210 nan 0.000 0.431 200 T N 0.265 114.847 114.554 0.048 0.000 2.788 200 T HA -0.152 4.198 4.350 -0.000 0.000 0.268 200 T C 1.484 176.216 174.700 0.055 0.000 1.044 200 T CA 1.657 63.801 62.100 0.074 0.000 1.139 200 T CB -0.291 68.627 68.868 0.085 0.000 0.867 200 T HN 0.374 nan 8.240 nan 0.000 0.454 201 D N 0.722 121.141 120.400 0.032 0.000 2.178 201 D HA -0.035 4.605 4.640 -0.000 0.000 0.202 201 D C 2.166 178.472 176.300 0.009 0.000 0.974 201 D CA 0.493 54.503 54.000 0.016 0.000 0.841 201 D CB -0.428 40.373 40.800 0.001 0.000 0.953 201 D HN 0.227 nan 8.370 nan 0.000 0.478 202 V N 1.578 121.493 119.914 0.002 0.000 2.358 202 V HA -0.200 3.920 4.120 -0.000 0.000 0.246 202 V C 2.015 178.190 176.094 0.135 0.000 1.047 202 V CA 1.364 63.657 62.300 -0.012 0.000 1.035 202 V CB -0.378 31.379 31.823 -0.110 0.000 0.658 202 V HN 0.168 nan 8.190 nan 0.000 0.452 203 N N 0.115 118.911 118.700 0.160 0.000 2.188 203 N HA -0.140 4.600 4.740 -0.000 0.000 0.184 203 N C 1.964 177.578 175.510 0.172 0.000 1.018 203 N CA 1.146 54.333 53.050 0.228 0.000 0.858 203 N CB -0.416 38.181 38.487 0.184 0.000 0.989 203 N HN 0.423 nan 8.380 nan 0.000 0.426 204 R N 0.846 121.405 120.500 0.098 0.000 2.096 204 R HA -0.023 4.317 4.340 -0.000 0.000 0.235 204 R C 1.953 178.280 176.300 0.045 0.000 1.127 204 R CA 1.304 57.439 56.100 0.059 0.000 0.968 204 R CB -0.121 30.198 30.300 0.031 0.000 0.861 204 R HN 0.176 nan 8.270 nan 0.000 0.440 205 A N -0.264 122.567 122.820 0.020 0.000 1.933 205 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 205 A C 1.819 179.365 177.584 -0.063 0.000 1.175 205 A CA 1.112 53.112 52.037 -0.062 0.000 0.628 205 A CB -0.663 18.246 19.000 -0.152 0.000 0.814 205 A HN 0.460 nan 8.150 nan 0.000 0.444 206 Y N -1.107 119.190 120.300 -0.006 0.000 2.293 206 Y HA -0.099 4.451 4.550 -0.000 0.000 0.291 206 Y C 2.193 178.093 175.900 -0.001 0.000 1.137 206 Y CA 1.262 59.365 58.100 0.005 0.000 1.202 206 Y CB -0.169 38.314 38.460 0.039 0.000 0.990 206 Y HN 0.360 nan 8.280 nan 0.000 0.537 207 L N 0.367 121.675 121.223 0.142 0.000 2.072 207 L HA -0.135 4.205 4.340 -0.000 0.000 0.205 207 L C 1.887 178.780 176.870 0.038 0.000 1.079 207 L CA 1.790 56.673 54.840 0.072 0.000 0.752 207 L CB -0.526 41.560 42.059 0.045 0.000 0.906 207 L HN 0.138 nan 8.230 nan 0.000 0.436 208 E N -0.607 119.607 120.200 0.023 0.000 2.333 208 E HA -0.181 4.169 4.350 -0.000 0.000 0.198 208 E C 1.723 178.322 176.600 -0.002 0.000 1.007 208 E CA 0.575 56.977 56.400 0.002 0.000 0.845 208 E CB 0.019 29.712 29.700 -0.011 0.000 0.766 208 E HN 0.491 nan 8.360 nan 0.000 0.507 209 R N -0.723 119.780 120.500 0.005 0.000 2.334 209 R HA 0.096 4.436 4.340 -0.000 0.000 0.216 209 R C 0.956 177.269 176.300 0.022 0.000 0.905 209 R CA 0.429 56.530 56.100 0.001 0.000 1.064 209 R CB 0.779 31.069 30.300 -0.016 0.000 1.046 209 R HN 0.153 nan 8.270 nan 0.000 0.508 210 G N 1.378 110.197 108.800 0.031 0.000 2.198 210 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.260 210 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.260 210 G C 0.393 175.320 174.900 0.046 0.000 1.025 210 G CA 0.259 45.377 45.100 0.030 0.000 0.769 210 G HN 0.432 nan 8.290 nan 0.000 0.507 211 Q N -1.394 118.459 119.800 0.087 0.000 2.172 211 Q HA 0.414 4.754 4.340 -0.000 0.000 0.217 211 Q C 0.412 176.473 176.000 0.101 0.000 0.832 211 Q CA -0.343 55.531 55.803 0.117 0.000 1.010 211 Q CB 0.880 29.735 28.738 0.195 0.000 1.133 211 Q HN 0.508 nan 8.270 nan 0.000 0.489 212 L N 0.602 121.863 121.223 0.063 0.000 2.282 212 L HA 0.451 4.791 4.340 -0.000 0.000 0.288 212 L C -0.602 176.235 176.870 -0.055 0.000 1.033 212 L CA -0.124 54.712 54.840 -0.006 0.000 0.807 212 L CB 1.881 43.962 42.059 0.037 0.000 1.209 212 L HN -0.161 nan 8.230 nan 0.000 0.423 213 S N 4.385 120.012 115.700 -0.120 0.000 2.451 213 S HA 0.748 5.218 4.470 -0.000 0.000 0.301 213 S C -0.949 173.538 174.600 -0.189 0.000 1.116 213 S CA -0.570 57.549 58.200 -0.135 0.000 1.093 213 S CB 1.151 64.252 63.200 -0.166 0.000 1.017 213 S HN 0.499 nan 8.310 nan 0.000 0.482 214 V N 5.766 125.604 119.914 -0.127 0.000 2.349 214 V HA 0.463 4.583 4.120 -0.000 0.000 0.284 214 V C -0.396 175.656 176.094 -0.070 0.000 1.014 214 V CA -0.695 61.537 62.300 -0.113 0.000 0.826 214 V CB 1.339 33.156 31.823 -0.011 0.000 1.009 214 V HN 0.841 nan 8.190 nan 0.000 0.431 215 E N 4.074 124.172 120.200 -0.170 0.000 2.231 215 E HA 0.466 4.816 4.350 -0.000 0.000 0.277 215 E C -0.487 176.167 176.600 0.091 0.000 0.999 215 E CA -0.752 55.623 56.400 -0.042 0.000 0.827 215 E CB 2.560 32.244 29.700 -0.027 0.000 1.101 215 E HN 0.358 nan 8.360 nan 0.000 0.393 216 I N 2.344 122.959 120.570 0.076 0.000 2.529 216 I HA 0.113 4.283 4.170 -0.000 0.000 0.284 216 I C 0.608 176.854 176.117 0.215 0.000 1.082 216 I CA -0.008 61.357 61.300 0.107 0.000 1.406 216 I CB 0.286 38.286 38.000 -0.001 0.000 1.405 216 I HN 0.431 nan 8.210 nan 0.000 0.548 217 M N 5.729 125.502 119.600 0.288 0.000 2.047 217 M HA 0.437 4.917 4.480 -0.000 0.000 0.342 217 M C 0.340 176.919 176.300 0.465 0.000 1.058 217 M CA -0.421 55.054 55.300 0.293 0.000 0.991 217 M CB 0.789 33.491 32.600 0.171 0.000 1.474 217 M HN 0.703 nan 8.290 nan 0.000 0.419 218 G N 3.636 112.714 108.800 0.463 0.000 2.664 218 G HA2 0.067 4.027 3.960 -0.000 0.000 0.242 218 G HA3 0.067 4.027 3.960 -0.000 0.000 0.242 218 G C 0.743 175.829 174.900 0.311 0.000 1.225 218 G CA -0.597 44.706 45.100 0.338 0.000 0.849 218 G HN 1.000 nan 8.290 nan 0.000 0.581 219 R N 0.171 120.741 120.500 0.117 0.000 2.261 219 R HA -0.079 4.261 4.340 -0.000 0.000 0.236 219 R C 2.004 178.369 176.300 0.109 0.000 1.141 219 R CA 1.422 57.539 56.100 0.027 0.000 1.001 219 R CB -0.483 29.792 30.300 -0.041 0.000 0.866 219 R HN 0.485 nan 8.270 nan 0.000 0.468 220 G N 0.192 109.060 108.800 0.113 0.000 2.484 220 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.218 220 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.218 220 G C -0.011 174.925 174.900 0.060 0.000 1.130 220 G CA 0.060 45.181 45.100 0.035 0.000 0.784 220 G HN 0.251 nan 8.290 nan 0.000 0.543 221 Y N 0.030 120.472 120.300 0.238 0.000 2.326 221 Y HA 0.557 5.107 4.550 -0.000 0.000 0.324 221 Y C 0.564 176.645 175.900 0.303 0.000 1.291 221 Y CA -0.707 57.534 58.100 0.234 0.000 1.348 221 Y CB 1.348 39.929 38.460 0.202 0.000 1.294 221 Y HN 0.093 nan 8.280 nan 0.000 0.525 222 A N 1.624 124.672 122.820 0.380 0.000 2.276 222 A HA 0.454 4.774 4.320 -0.000 0.000 0.316 222 A C -1.894 175.696 177.584 0.009 0.000 1.229 222 A CA -0.432 51.710 52.037 0.175 0.000 0.851 222 A CB 0.017 18.997 19.000 -0.034 0.000 1.165 222 A HN 0.762 nan 8.150 nan 0.000 0.513 223 W N 5.167 126.216 121.300 -0.418 0.000 2.453 223 W HA 0.609 5.269 4.660 -0.000 0.000 0.310 223 W C -1.873 174.342 176.519 -0.505 0.000 1.000 223 W CA -0.912 55.983 57.345 -0.751 0.000 1.367 223 W CB 0.726 29.372 29.460 -1.358 0.000 1.269 223 W HN 0.547 nan 8.180 nan 0.000 0.418 224 L N 5.665 126.377 121.223 -0.853 0.000 2.334 224 L HA 0.556 4.896 4.340 -0.000 0.000 0.273 224 L C -0.330 176.052 176.870 -0.813 0.000 1.013 224 L CA -1.014 53.377 54.840 -0.749 0.000 0.816 224 L CB 1.915 43.659 42.059 -0.525 0.000 1.278 224 L HN 0.451 nan 8.230 nan 0.000 0.431 225 D N -1.542 118.481 120.400 -0.628 0.000 2.575 225 D HA 0.295 4.935 4.640 -0.000 0.000 0.236 225 D C 0.071 176.224 176.300 -0.245 0.000 1.075 225 D CA -0.582 53.163 54.000 -0.425 0.000 0.860 225 D CB 1.917 42.493 40.800 -0.374 0.000 1.475 225 D HN 0.508 nan 8.370 nan 0.000 0.474 226 T N -0.653 113.803 114.554 -0.163 0.000 3.284 226 T HA 0.343 4.693 4.350 -0.000 0.000 0.249 226 T C 1.505 176.155 174.700 -0.084 0.000 0.944 226 T CA -0.218 61.814 62.100 -0.114 0.000 0.919 226 T CB -0.096 68.722 68.868 -0.084 0.000 1.089 226 T HN 0.524 nan 8.240 nan 0.000 0.576 227 G N 1.953 110.696 108.800 -0.094 0.000 2.408 227 G HA2 0.100 4.060 3.960 -0.000 0.000 0.217 227 G HA3 0.100 4.060 3.960 -0.000 0.000 0.217 227 G C 0.815 175.644 174.900 -0.119 0.000 1.150 227 G CA 0.876 45.925 45.100 -0.086 0.000 0.776 227 G HN 0.753 nan 8.290 nan 0.000 0.542 228 T N -4.356 110.124 114.554 -0.123 0.000 2.924 228 T HA 0.437 4.787 4.350 -0.000 0.000 0.291 228 T C 0.812 175.454 174.700 -0.097 0.000 1.045 228 T CA -0.441 61.557 62.100 -0.170 0.000 1.015 228 T CB 1.809 70.596 68.868 -0.134 0.000 1.103 228 T HN 0.296 nan 8.240 nan 0.000 0.496 229 H N 0.522 119.572 119.070 -0.034 0.000 2.292 229 H HA -0.151 4.405 4.556 -0.000 0.000 0.292 229 H C 1.550 176.860 175.328 -0.030 0.000 1.100 229 H CA 2.081 58.113 56.048 -0.027 0.000 1.238 229 H CB 0.037 29.789 29.762 -0.017 0.000 1.355 229 H HN 0.634 nan 8.280 nan 0.000 0.484 230 D N 0.009 120.462 120.400 0.089 0.000 2.084 230 D HA -0.139 4.501 4.640 -0.000 0.000 0.194 230 D C 2.472 178.767 176.300 -0.008 0.000 0.990 230 D CA 1.717 55.736 54.000 0.032 0.000 0.826 230 D CB -0.551 40.257 40.800 0.014 0.000 0.971 230 D HN 0.434 nan 8.370 nan 0.000 0.453 231 S N 0.676 116.354 115.700 -0.037 0.000 2.419 231 S HA -0.146 4.324 4.470 -0.000 0.000 0.233 231 S C 1.994 176.548 174.600 -0.076 0.000 1.016 231 S CA 0.562 58.717 58.200 -0.075 0.000 0.974 231 S CB -0.428 62.705 63.200 -0.111 0.000 0.786 231 S HN 0.201 nan 8.310 nan 0.000 0.492 232 L N 0.799 121.996 121.223 -0.042 0.000 2.109 232 L HA 0.249 4.589 4.340 -0.000 0.000 0.207 232 L C 2.138 178.995 176.870 -0.021 0.000 1.086 232 L CA 1.340 56.158 54.840 -0.036 0.000 0.760 232 L CB -0.926 41.132 42.059 -0.001 0.000 0.910 232 L HN 0.367 nan 8.230 nan 0.000 0.437 233 L N -0.201 121.022 121.223 -0.000 0.000 2.027 233 L HA -0.145 4.195 4.340 -0.000 0.000 0.206 233 L C 2.390 179.259 176.870 -0.003 0.000 1.074 233 L CA 1.751 56.595 54.840 0.007 0.000 0.745 233 L CB -0.700 41.367 42.059 0.014 0.000 0.898 233 L HN 0.382 nan 8.230 nan 0.000 0.433 234 E N -0.486 119.704 120.200 -0.016 0.000 2.085 234 E HA -0.252 4.098 4.350 -0.000 0.000 0.194 234 E C 2.149 178.741 176.600 -0.014 0.000 0.994 234 E CA 1.226 57.616 56.400 -0.016 0.000 0.801 234 E CB -0.285 29.390 29.700 -0.041 0.000 0.743 234 E HN 0.672 nan 8.360 nan 0.000 0.453 235 A N 0.867 123.649 122.820 -0.064 0.000 1.898 235 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 235 A C 2.418 179.990 177.584 -0.020 0.000 1.181 235 A CA 1.626 53.611 52.037 -0.088 0.000 0.620 235 A CB -1.094 17.798 19.000 -0.180 0.000 0.819 235 A HN 0.380 nan 8.150 nan 0.000 0.442 236 G N -0.728 108.066 108.800 -0.010 0.000 2.440 236 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.218 236 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.218 236 G C 1.603 176.485 174.900 -0.032 0.000 1.154 236 G CA 1.052 46.176 45.100 0.040 0.000 0.767 236 G HN 0.653 nan 8.290 nan 0.000 0.552 237 Q N -1.034 118.749 119.800 -0.028 0.000 2.172 237 Q HA 0.012 4.352 4.340 -0.000 0.000 0.200 237 Q C 2.206 178.142 176.000 -0.107 0.000 0.964 237 Q CA 0.778 56.530 55.803 -0.085 0.000 0.855 237 Q CB -0.196 28.521 28.738 -0.033 0.000 0.918 237 Q HN 0.531 nan 8.270 nan 0.000 0.444 238 F N 1.387 121.238 119.950 -0.164 0.000 2.075 238 F HA -0.240 4.287 4.527 -0.000 0.000 0.297 238 F C 1.935 177.607 175.800 -0.214 0.000 1.113 238 F CA 1.103 59.004 58.000 -0.165 0.000 1.218 238 F CB -0.021 38.892 39.000 -0.144 0.000 0.984 238 F HN -0.025 nan 8.300 nan 0.000 0.472 239 I N 0.723 121.247 120.570 -0.076 0.000 2.179 239 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 239 I C 2.738 178.635 176.117 -0.368 0.000 1.088 239 I CA 1.541 62.737 61.300 -0.174 0.000 1.357 239 I CB -2.094 35.923 38.000 0.027 0.000 1.051 239 I HN 0.239 nan 8.210 nan 0.000 0.409 240 A N -0.002 122.441 122.820 -0.629 0.000 1.972 240 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 240 A C 2.429 179.705 177.584 -0.513 0.000 1.169 240 A CA 2.256 53.680 52.037 -1.021 0.000 0.635 240 A CB -0.956 17.128 19.000 -1.526 0.000 0.810 240 A HN 0.405 nan 8.150 nan 0.000 0.446 241 T N 0.222 114.530 114.554 -0.410 0.000 2.737 241 T HA -0.045 4.305 4.350 -0.000 0.000 0.265 241 T C 1.809 176.334 174.700 -0.293 0.000 1.038 241 T CA 1.375 63.287 62.100 -0.314 0.000 1.144 241 T CB -0.336 68.342 68.868 -0.317 0.000 0.866 241 T HN 0.391 nan 8.240 nan 0.000 0.434 242 L N 0.617 121.615 121.223 -0.374 0.000 2.017 242 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 242 L C 2.717 179.484 176.870 -0.171 0.000 1.073 242 L CA 1.546 56.211 54.840 -0.291 0.000 0.745 242 L CB -0.542 41.279 42.059 -0.396 0.000 0.894 242 L HN 0.341 nan 8.230 nan 0.000 0.432 243 E N -0.067 120.032 120.200 -0.169 0.000 2.077 243 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 243 E C 1.858 178.423 176.600 -0.058 0.000 0.989 243 E CA 1.023 57.376 56.400 -0.078 0.000 0.800 243 E CB -0.048 29.649 29.700 -0.004 0.000 0.746 243 E HN 0.453 nan 8.360 nan 0.000 0.452 244 N N 0.506 119.151 118.700 -0.091 0.000 2.409 244 N HA -0.097 4.643 4.740 -0.000 0.000 0.179 244 N C 1.741 177.226 175.510 -0.041 0.000 1.032 244 N CA 0.587 53.607 53.050 -0.049 0.000 0.898 244 N CB 0.041 38.491 38.487 -0.063 0.000 0.971 244 N HN 0.002 nan 8.380 nan 0.000 0.441 245 R N 1.527 121.990 120.500 -0.061 0.000 2.080 245 R HA 0.099 4.439 4.340 -0.000 0.000 0.222 245 R C 1.776 178.066 176.300 -0.016 0.000 1.107 245 R CA 1.408 57.482 56.100 -0.043 0.000 0.980 245 R CB -0.280 29.981 30.300 -0.065 0.000 0.879 245 R HN 0.250 nan 8.270 nan 0.000 0.439 246 Q N -1.051 118.744 119.800 -0.009 0.000 2.302 246 Q HA 0.203 4.543 4.340 -0.000 0.000 0.202 246 Q C 0.815 176.844 176.000 0.048 0.000 0.936 246 Q CA 0.675 56.494 55.803 0.026 0.000 0.886 246 Q CB 0.403 29.169 28.738 0.046 0.000 0.986 246 Q HN 0.560 nan 8.270 nan 0.000 0.487 247 G N 1.258 110.083 108.800 0.042 0.000 2.168 247 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.257 247 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.257 247 G C -0.081 174.906 174.900 0.146 0.000 0.997 247 G CA 0.333 45.479 45.100 0.076 0.000 0.708 247 G HN 0.200 nan 8.290 nan 0.000 0.520 248 L N -1.314 119.974 121.223 0.109 0.000 2.319 248 L HA 0.715 5.055 4.340 -0.000 0.000 0.267 248 L C 0.369 177.217 176.870 -0.037 0.000 1.011 248 L CA -1.138 53.811 54.840 0.181 0.000 0.818 248 L CB 1.911 44.085 42.059 0.191 0.000 1.316 248 L HN -0.025 nan 8.230 nan 0.000 0.432 249 K N 0.436 120.741 120.400 -0.158 0.000 2.259 249 K HA 0.614 4.934 4.320 -0.000 0.000 0.249 249 K C -1.253 175.342 176.600 -0.007 0.000 0.942 249 K CA -0.764 55.368 56.287 -0.260 0.000 0.816 249 K CB 2.686 34.730 32.500 -0.761 0.000 1.155 249 K HN 0.191 nan 8.250 nan 0.000 0.428 250 V N 1.881 121.834 119.914 0.066 0.000 2.481 250 V HA 0.313 4.433 4.120 -0.000 0.000 0.286 250 V C 0.222 176.395 176.094 0.132 0.000 1.042 250 V CA -0.299 62.111 62.300 0.182 0.000 0.928 250 V CB 1.021 32.974 31.823 0.217 0.000 0.986 250 V HN 1.034 nan 8.190 nan 0.000 0.462 251 A N 3.108 126.014 122.820 0.142 0.000 2.466 251 A HA -0.209 4.111 4.320 -0.000 0.000 0.295 251 A C 0.416 177.983 177.584 -0.027 0.000 1.465 251 A CA 0.728 52.779 52.037 0.022 0.000 0.744 251 A CB -1.734 17.200 19.000 -0.109 0.000 1.098 251 A HN 1.626 nan 8.150 nan 0.000 0.402 252 C N 1.349 120.656 119.300 0.012 0.000 2.225 252 C HA 0.687 5.146 4.460 -0.000 0.000 0.323 252 C C -0.372 174.514 174.990 -0.174 0.000 1.164 252 C CA -1.587 57.435 59.018 0.008 0.000 1.565 252 C CB 0.126 27.889 27.740 0.039 0.000 2.124 252 C HN 0.504 nan 8.230 nan 0.000 0.461 253 P HA -0.132 nan 4.420 nan 0.000 0.216 253 P C 1.195 178.145 177.300 -0.583 0.000 1.150 253 P CA 1.653 64.384 63.100 -0.615 0.000 0.843 253 P CB 0.255 31.176 31.700 -1.298 0.000 0.787 254 E N -0.267 119.531 120.200 -0.668 0.000 2.058 254 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 254 E C 2.062 178.567 176.600 -0.159 0.000 0.997 254 E CA 1.349 57.503 56.400 -0.410 0.000 0.801 254 E CB -0.725 28.823 29.700 -0.253 0.000 0.746 254 E HN 0.437 nan 8.360 nan 0.000 0.450 255 E N 0.623 120.751 120.200 -0.120 0.000 2.058 255 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 255 E C 2.056 178.649 176.600 -0.011 0.000 0.997 255 E CA 1.266 57.652 56.400 -0.022 0.000 0.801 255 E CB -0.171 29.546 29.700 0.028 0.000 0.746 255 E HN 0.251 nan 8.360 nan 0.000 0.450 256 I N 1.111 121.638 120.570 -0.071 0.000 2.226 256 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 256 I C 2.636 178.642 176.117 -0.186 0.000 1.100 256 I CA 1.059 62.292 61.300 -0.112 0.000 1.374 256 I CB -0.366 37.576 38.000 -0.097 0.000 1.057 256 I HN 0.245 nan 8.210 nan 0.000 0.413 257 A N 0.271 123.030 122.820 -0.102 0.000 1.892 257 A HA -0.318 4.002 4.320 -0.000 0.000 0.218 257 A C 2.316 179.879 177.584 -0.035 0.000 1.188 257 A CA 2.042 54.071 52.037 -0.014 0.000 0.631 257 A CB -1.173 17.929 19.000 0.170 0.000 0.822 257 A HN 0.563 nan 8.150 nan 0.000 0.447 258 Y N 0.658 120.898 120.300 -0.101 0.000 2.200 258 Y HA -0.175 4.375 4.550 -0.000 0.000 0.290 258 Y C 2.458 178.278 175.900 -0.133 0.000 1.137 258 Y CA 2.009 60.059 58.100 -0.084 0.000 1.163 258 Y CB -0.286 38.129 38.460 -0.076 0.000 0.988 258 Y HN 0.277 nan 8.280 nan 0.000 0.518 259 R N -0.052 120.324 120.500 -0.208 0.000 2.096 259 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 259 R C 1.922 178.012 176.300 -0.351 0.000 1.127 259 R CA 1.499 57.420 56.100 -0.298 0.000 0.968 259 R CB -0.329 29.880 30.300 -0.151 0.000 0.861 259 R HN 0.477 nan 8.270 nan 0.000 0.440 260 Q N 0.882 120.412 119.800 -0.450 0.000 2.482 260 Q HA 0.007 4.347 4.340 -0.000 0.000 0.209 260 Q C 0.027 175.725 176.000 -0.504 0.000 0.961 260 Q CA 0.374 55.803 55.803 -0.623 0.000 0.945 260 Q CB 0.398 28.381 28.738 -1.259 0.000 1.012 260 Q HN 0.253 nan 8.270 nan 0.000 0.515 261 K N -1.472 118.721 120.400 -0.344 0.000 3.391 261 K HA -0.155 4.165 4.320 -0.000 0.000 0.307 261 K C 0.131 176.774 176.600 0.071 0.000 1.304 261 K CA 0.847 57.044 56.287 -0.151 0.000 0.904 261 K CB -1.853 30.588 32.500 -0.098 0.000 1.293 261 K HN 0.332 nan 8.250 nan 0.000 0.470 262 W N 1.196 122.498 121.300 0.005 0.000 2.800 262 W HA 0.246 4.906 4.660 -0.000 0.000 0.249 262 W C 1.459 178.021 176.519 0.071 0.000 1.294 262 W CA 0.379 57.748 57.345 0.039 0.000 1.402 262 W CB -0.250 29.243 29.460 0.055 0.000 1.126 262 W HN 0.286 nan 8.180 nan 0.000 0.652 263 I N -1.406 119.325 120.570 0.269 0.000 2.994 263 I HA 0.488 4.658 4.170 -0.000 0.000 0.306 263 I C -0.590 175.658 176.117 0.217 0.000 1.195 263 I CA -1.215 60.224 61.300 0.232 0.000 1.001 263 I CB 2.111 40.260 38.000 0.249 0.000 1.244 263 I HN -0.293 nan 8.210 nan 0.000 0.437 264 D N 2.941 123.460 120.400 0.199 0.000 2.494 264 D HA 0.576 5.216 4.640 -0.000 0.000 0.259 264 D C 1.058 177.519 176.300 0.269 0.000 1.109 264 D CA -0.304 53.828 54.000 0.220 0.000 1.040 264 D CB 1.274 42.153 40.800 0.133 0.000 1.175 264 D HN 0.699 nan 8.370 nan 0.000 0.584 265 A N 0.065 123.056 122.820 0.285 0.000 1.917 265 A HA -0.066 4.254 4.320 -0.000 0.000 0.219 265 A C 2.158 179.755 177.584 0.021 0.000 1.182 265 A CA 2.895 55.002 52.037 0.117 0.000 0.633 265 A CB -1.499 17.575 19.000 0.125 0.000 0.819 265 A HN 0.715 nan 8.150 nan 0.000 0.448 266 A N -1.091 121.760 122.820 0.052 0.000 1.902 266 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 266 A C 2.117 179.723 177.584 0.037 0.000 1.181 266 A CA 1.872 53.929 52.037 0.033 0.000 0.623 266 A CB -0.572 18.453 19.000 0.041 0.000 0.818 266 A HN 0.625 nan 8.150 nan 0.000 0.443 267 Q N -1.230 118.610 119.800 0.066 0.000 2.084 267 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 267 Q C 2.051 178.089 176.000 0.063 0.000 0.978 267 Q CA 1.530 57.382 55.803 0.082 0.000 0.844 267 Q CB -0.285 28.528 28.738 0.126 0.000 0.898 267 Q HN 0.588 nan 8.270 nan 0.000 0.426 268 L N 0.771 122.002 121.223 0.014 0.000 2.056 268 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 268 L C 2.003 178.832 176.870 -0.067 0.000 1.078 268 L CA 1.932 56.732 54.840 -0.065 0.000 0.749 268 L CB -0.540 41.350 42.059 -0.283 0.000 0.901 268 L HN 0.180 nan 8.230 nan 0.000 0.433 269 E N -0.270 119.889 120.200 -0.069 0.000 2.085 269 E HA -0.305 4.045 4.350 -0.000 0.000 0.194 269 E C 2.266 178.863 176.600 -0.005 0.000 0.994 269 E CA 1.719 58.090 56.400 -0.049 0.000 0.801 269 E CB -0.191 29.487 29.700 -0.037 0.000 0.743 269 E HN 0.497 nan 8.360 nan 0.000 0.453 270 K N 0.189 120.600 120.400 0.019 0.000 2.211 270 K HA -0.109 4.211 4.320 -0.000 0.000 0.203 270 K C 2.013 178.652 176.600 0.065 0.000 1.050 270 K CA 0.836 57.148 56.287 0.040 0.000 0.945 270 K CB -0.023 32.505 32.500 0.047 0.000 0.732 270 K HN 0.215 nan 8.250 nan 0.000 0.451 271 L N 0.445 121.717 121.223 0.083 0.000 2.201 271 L HA -0.091 4.249 4.340 -0.000 0.000 0.212 271 L C 2.574 179.513 176.870 0.116 0.000 1.105 271 L CA 0.938 55.858 54.840 0.134 0.000 0.775 271 L CB -0.422 41.743 42.059 0.177 0.000 0.913 271 L HN 0.261 nan 8.230 nan 0.000 0.440 272 A N 0.165 123.022 122.820 0.062 0.000 1.872 272 A HA -0.095 4.225 4.320 -0.000 0.000 0.214 272 A C 2.588 180.208 177.584 0.061 0.000 1.187 272 A CA 1.389 53.457 52.037 0.052 0.000 0.614 272 A CB -0.696 18.301 19.000 -0.005 0.000 0.826 272 A HN 0.343 nan 8.150 nan 0.000 0.442 273 A N 0.777 123.624 122.820 0.045 0.000 1.882 273 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 273 A C 0.390 178.006 177.584 0.053 0.000 1.253 273 A CA 2.334 54.395 52.037 0.041 0.000 0.664 273 A CB -2.075 16.945 19.000 0.033 0.000 0.838 273 A HN 0.497 nan 8.150 nan 0.000 0.460 274 P HA -0.083 nan 4.420 nan 0.000 0.221 274 P C 0.925 178.270 177.300 0.074 0.000 1.145 274 P CA 0.994 64.132 63.100 0.064 0.000 0.795 274 P CB -0.111 31.633 31.700 0.073 0.000 0.775 275 L N -1.616 119.666 121.223 0.098 0.000 2.728 275 L HA 0.296 4.636 4.340 -0.000 0.000 0.238 275 L C 2.270 179.202 176.870 0.103 0.000 1.143 275 L CA 0.017 54.929 54.840 0.121 0.000 0.937 275 L CB -0.363 41.818 42.059 0.202 0.000 1.225 275 L HN -0.151 nan 8.230 nan 0.000 0.507 276 A N 0.432 123.295 122.820 0.073 0.000 2.070 276 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 276 A C 2.172 179.785 177.584 0.048 0.000 1.159 276 A CA 1.334 53.403 52.037 0.054 0.000 0.656 276 A CB -0.181 18.841 19.000 0.037 0.000 0.800 276 A HN 0.343 nan 8.150 nan 0.000 0.453 277 K N -0.133 120.295 120.400 0.046 0.000 2.366 277 K HA -0.047 4.273 4.320 -0.000 0.000 0.198 277 K C 0.266 176.891 176.600 0.042 0.000 1.044 277 K CA 0.804 57.114 56.287 0.037 0.000 0.973 277 K CB -0.154 32.364 32.500 0.029 0.000 0.767 277 K HN 0.858 nan 8.250 nan 0.000 0.475 278 N N -2.253 116.482 118.700 0.058 0.000 2.531 278 N HA 0.172 4.912 4.740 -0.000 0.000 0.290 278 N C 0.989 176.553 175.510 0.090 0.000 1.257 278 N CA -0.539 52.550 53.050 0.063 0.000 0.863 278 N CB 0.871 39.393 38.487 0.060 0.000 1.320 278 N HN -0.166 nan 8.380 nan 0.000 0.538 279 G N -0.803 108.050 108.800 0.087 0.000 2.442 279 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.219 279 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.219 279 G C 0.926 175.917 174.900 0.152 0.000 1.141 279 G CA 0.760 45.920 45.100 0.099 0.000 0.763 279 G HN 0.642 nan 8.290 nan 0.000 0.554 280 Y N 1.726 122.052 120.300 0.043 0.000 2.181 280 Y HA -0.013 4.537 4.550 -0.000 0.000 0.288 280 Y C 2.832 178.803 175.900 0.119 0.000 1.146 280 Y CA 1.585 59.729 58.100 0.072 0.000 1.164 280 Y CB -0.424 38.063 38.460 0.045 0.000 0.982 280 Y HN 0.146 nan 8.280 nan 0.000 0.515 281 G N -0.640 108.296 108.800 0.226 0.000 2.446 281 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.217 281 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.217 281 G C 1.444 176.379 174.900 0.057 0.000 1.168 281 G CA 1.032 46.209 45.100 0.129 0.000 0.771 281 G HN 0.446 nan 8.290 nan 0.000 0.551 282 Q N -1.044 118.798 119.800 0.070 0.000 2.096 282 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 282 Q C 2.206 178.227 176.000 0.034 0.000 0.982 282 Q CA 1.577 57.406 55.803 0.043 0.000 0.850 282 Q CB -0.345 28.425 28.738 0.054 0.000 0.901 282 Q HN 0.671 nan 8.270 nan 0.000 0.422 283 Y N 0.791 121.039 120.300 -0.086 0.000 2.181 283 Y HA -0.214 4.336 4.550 -0.000 0.000 0.288 283 Y C 1.655 177.457 175.900 -0.164 0.000 1.146 283 Y CA 1.346 59.370 58.100 -0.128 0.000 1.164 283 Y CB -0.091 38.264 38.460 -0.175 0.000 0.982 283 Y HN 0.030 nan 8.280 nan 0.000 0.515 284 L N 0.069 121.196 121.223 -0.159 0.000 2.046 284 L HA -0.249 4.091 4.340 -0.000 0.000 0.208 284 L C 2.467 179.176 176.870 -0.269 0.000 1.077 284 L CA 1.737 56.420 54.840 -0.261 0.000 0.747 284 L CB -0.550 41.423 42.059 -0.142 0.000 0.896 284 L HN 0.184 nan 8.230 nan 0.000 0.432 285 K N -0.132 120.167 120.400 -0.170 0.000 2.057 285 K HA -0.199 4.121 4.320 -0.000 0.000 0.206 285 K C 2.234 178.727 176.600 -0.179 0.000 1.050 285 K CA 1.162 57.360 56.287 -0.149 0.000 0.935 285 K CB -0.153 32.298 32.500 -0.082 0.000 0.715 285 K HN 0.146 nan 8.250 nan 0.000 0.439 286 R N 1.411 121.801 120.500 -0.183 0.000 2.127 286 R HA -0.104 4.236 4.340 -0.000 0.000 0.238 286 R C 2.020 178.174 176.300 -0.244 0.000 1.134 286 R CA 1.040 57.032 56.100 -0.180 0.000 0.975 286 R CB -0.246 29.967 30.300 -0.144 0.000 0.865 286 R HN 0.143 nan 8.270 nan 0.000 0.447 287 L N 0.636 121.638 121.223 -0.369 0.000 2.349 287 L HA -0.167 4.173 4.340 -0.000 0.000 0.220 287 L C 1.985 178.706 176.870 -0.247 0.000 1.130 287 L CA 0.786 55.422 54.840 -0.339 0.000 0.791 287 L CB -0.287 41.522 42.059 -0.416 0.000 0.918 287 L HN 0.325 nan 8.230 nan 0.000 0.444 288 L N -0.523 120.547 121.223 -0.255 0.000 2.478 288 L HA -0.057 4.283 4.340 -0.000 0.000 0.223 288 L C 1.892 178.700 176.870 -0.102 0.000 1.140 288 L CA 1.259 55.977 54.840 -0.202 0.000 0.842 288 L CB -0.324 41.617 42.059 -0.197 0.000 0.953 288 L HN 0.414 nan 8.230 nan 0.000 0.452 289 T N -5.080 109.413 114.554 -0.101 0.000 3.170 289 T HA 0.179 4.529 4.350 -0.000 0.000 0.288 289 T C 0.158 174.819 174.700 -0.065 0.000 0.992 289 T CA -0.429 61.632 62.100 -0.066 0.000 0.909 289 T CB 0.407 69.240 68.868 -0.058 0.000 1.133 289 T HN 0.132 nan 8.240 nan 0.000 0.530 290 E N 1.200 121.349 120.200 -0.085 0.000 2.248 290 E HA 0.456 4.806 4.350 -0.000 0.000 0.267 290 E C -1.168 175.363 176.600 -0.115 0.000 0.877 290 E CA -0.595 55.753 56.400 -0.087 0.000 0.759 290 E CB 1.829 31.474 29.700 -0.092 0.000 1.182 290 E HN 0.156 nan 8.360 nan 0.000 0.418 291 T N 2.491 116.953 114.554 -0.153 0.000 2.780 291 T HA 0.297 4.647 4.350 -0.000 0.000 0.294 291 T C -0.504 173.954 174.700 -0.404 0.000 0.949 291 T CA -0.430 61.498 62.100 -0.287 0.000 1.074 291 T CB 0.921 69.582 68.868 -0.346 0.000 0.910 291 T HN 0.168 nan 8.240 nan 0.000 0.501 292 V N 4.855 124.545 119.914 -0.373 0.000 2.378 292 V HA 0.359 4.479 4.120 -0.000 0.000 0.288 292 V C -0.631 175.273 176.094 -0.317 0.000 1.016 292 V CA -0.992 61.146 62.300 -0.271 0.000 0.840 292 V CB 0.426 32.194 31.823 -0.091 0.000 0.994 292 V HN 0.798 nan 8.190 nan 0.000 0.431 293 Y N 0.000 120.310 120.300 0.017 0.000 2.660 293 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 293 Y CA 0.000 58.108 58.100 0.014 0.000 1.940 293 Y CB 0.000 38.467 38.460 0.011 0.000 1.050 293 Y HN 0.000 nan 8.280 nan 0.000 0.758