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 7ccp_1_A DATA FIRST_RESID 4 DATA SEQUENCE LVHVASVEKG RSYEDFQKVY NAIALKLRED DEYDNYIGYG PVLVLLAWHI DATA SEQUENCE SGTWDKHDNT GGSYGGTYRF KKEFNDPSNA GLQNGFKFLE PIHKEFPWIS DATA SEQUENCE SGDLFSLGGV TAVQEMQGPK IPWRCGRVDT PEDTTPDNGR LPDADKDAGY DATA SEQUENCE VRTFFQRLNM NDREVVALMG AHALGKTHLK NSGYEGPWGA ANNVFTNEFY DATA SEQUENCE LNLLNEDWKL EKNDANNEQW DSKSGYMMLP TDYSLIQDPK YLSIVKEYAN DATA SEQUENCE DQDKFFKDFS KAFEKLLENG ITFPKDAPSP FIFKTLEEQG L 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 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.649 176.870 -0.368 0.000 1.165 4 L CA 0.000 54.684 54.840 -0.260 0.000 0.813 4 L CB 0.000 41.842 42.059 -0.361 0.000 0.961 5 V N 0.632 120.279 119.914 -0.444 0.000 2.540 5 V HA 0.541 4.663 4.120 0.002 0.000 0.302 5 V C -0.866 174.876 176.094 -0.587 0.000 1.035 5 V CA -0.595 61.469 62.300 -0.393 0.000 0.873 5 V CB 2.034 33.731 31.823 -0.209 0.000 0.992 5 V HN 0.650 nan 8.190 nan 0.000 0.428 6 H N 3.395 122.238 119.070 -0.379 0.000 2.792 6 H HA 0.447 5.004 4.556 0.002 0.000 0.298 6 H C -0.753 174.190 175.328 -0.642 0.000 1.042 6 H CA -0.391 55.172 56.048 -0.809 0.000 1.300 6 H CB 1.831 30.708 29.762 -1.475 0.000 1.431 6 H HN 0.387 nan 8.280 nan 0.000 0.496 7 V N 2.236 121.998 119.914 -0.254 0.000 2.465 7 V HA 0.356 4.477 4.120 0.002 0.000 0.279 7 V C 0.937 177.046 176.094 0.025 0.000 1.045 7 V CA -0.877 61.341 62.300 -0.136 0.000 0.938 7 V CB 1.204 32.992 31.823 -0.059 0.000 0.986 7 V HN 0.840 nan 8.190 nan 0.000 0.467 8 A N 3.825 126.589 122.820 -0.094 0.000 2.440 8 A HA 0.529 4.850 4.320 0.002 0.000 0.251 8 A C 0.443 178.090 177.584 0.105 0.000 1.089 8 A CA 0.101 52.162 52.037 0.040 0.000 0.779 8 A CB 0.455 19.413 19.000 -0.069 0.000 1.022 8 A HN 0.925 nan 8.150 nan 0.000 0.492 9 S N 2.643 118.421 115.700 0.130 0.000 2.774 9 S HA 0.433 4.904 4.470 0.002 0.000 0.297 9 S C -0.450 174.231 174.600 0.134 0.000 1.143 9 S CA -0.605 57.666 58.200 0.118 0.000 1.090 9 S CB 0.409 63.679 63.200 0.116 0.000 1.019 9 S HN 0.790 nan 8.310 nan 0.000 0.482 10 V N 4.709 124.710 119.914 0.144 0.000 2.720 10 V HA 0.002 4.123 4.120 0.002 0.000 0.307 10 V C 0.599 176.829 176.094 0.226 0.000 1.071 10 V CA 0.320 62.742 62.300 0.205 0.000 1.199 10 V CB -0.099 31.846 31.823 0.203 0.000 0.900 10 V HN 0.844 nan 8.190 nan 0.000 0.494 11 E N 3.706 124.107 120.200 0.335 0.000 2.480 11 E HA 0.040 4.391 4.350 0.002 0.000 0.258 11 E C 0.288 176.991 176.600 0.171 0.000 0.984 11 E CA 0.145 56.725 56.400 0.300 0.000 0.930 11 E CB 0.165 30.160 29.700 0.491 0.000 0.936 11 E HN 0.431 nan 8.360 nan 0.000 0.466 12 K N 2.169 122.638 120.400 0.115 0.000 2.440 12 K HA -0.051 4.270 4.320 0.002 0.000 0.275 12 K C 0.796 177.386 176.600 -0.016 0.000 1.082 12 K CA 1.020 57.340 56.287 0.055 0.000 1.135 12 K CB -0.252 32.278 32.500 0.049 0.000 0.864 12 K HN 0.821 nan 8.250 nan 0.000 0.479 13 G N 3.495 112.289 108.800 -0.009 0.000 2.153 13 G HA2 -0.259 3.702 3.960 0.002 0.000 0.252 13 G HA3 -0.259 3.702 3.960 0.002 0.000 0.252 13 G C -0.165 174.661 174.900 -0.124 0.000 0.994 13 G CA 0.028 45.097 45.100 -0.052 0.000 0.698 13 G HN 0.540 nan 8.290 nan 0.000 0.521 14 R N 0.323 120.748 120.500 -0.125 0.000 2.486 14 R HA 0.746 5.087 4.340 0.002 0.000 0.286 14 R C 0.616 176.922 176.300 0.009 0.000 0.999 14 R CA 0.297 56.228 56.100 -0.282 0.000 0.993 14 R CB 1.564 31.507 30.300 -0.594 0.000 1.084 14 R HN 0.644 nan 8.270 nan 0.000 0.487 15 S N 0.333 116.020 115.700 -0.022 0.000 2.841 15 S HA 0.177 4.648 4.470 0.002 0.000 0.318 15 S C 0.929 175.632 174.600 0.172 0.000 1.127 15 S CA -0.705 57.606 58.200 0.184 0.000 0.883 15 S CB 0.415 63.689 63.200 0.123 0.000 1.271 15 S HN 0.639 nan 8.310 nan 0.000 0.567 16 Y N 1.865 122.119 120.300 -0.078 0.000 2.069 16 Y HA -0.199 4.352 4.550 0.002 0.000 0.278 16 Y C 2.057 177.889 175.900 -0.114 0.000 1.175 16 Y CA 2.753 60.591 58.100 -0.436 0.000 1.134 16 Y CB -1.056 37.186 38.460 -0.362 0.000 0.965 16 Y HN 0.805 nan 8.280 nan 0.000 0.498 17 E N 0.487 120.497 120.200 -0.316 0.000 2.130 17 E HA -0.217 4.134 4.350 0.002 0.000 0.196 17 E C 1.884 178.326 176.600 -0.263 0.000 0.998 17 E CA 1.637 57.835 56.400 -0.336 0.000 0.806 17 E CB -0.362 29.260 29.700 -0.130 0.000 0.738 17 E HN 0.610 nan 8.360 nan 0.000 0.459 18 D N -0.215 120.039 120.400 -0.244 0.000 2.097 18 D HA -0.143 4.498 4.640 0.002 0.000 0.195 18 D C 1.777 177.943 176.300 -0.224 0.000 0.989 18 D CA 1.010 54.840 54.000 -0.284 0.000 0.827 18 D CB -0.265 40.157 40.800 -0.631 0.000 0.966 18 D HN 0.205 nan 8.370 nan 0.000 0.456 19 F N 0.987 120.925 119.950 -0.021 0.000 2.146 19 F HA -0.115 4.413 4.527 0.002 0.000 0.298 19 F C 2.675 178.224 175.800 -0.417 0.000 1.096 19 F CA 0.645 58.605 58.000 -0.067 0.000 1.275 19 F CB -0.614 38.526 39.000 0.234 0.000 1.008 19 F HN -0.124 nan 8.300 nan 0.000 0.480 20 Q N 1.039 120.688 119.800 -0.251 0.000 2.181 20 Q HA -0.186 4.155 4.340 0.002 0.000 0.205 20 Q C 1.806 177.650 176.000 -0.261 0.000 0.980 20 Q CA 1.726 57.323 55.803 -0.343 0.000 0.862 20 Q CB -0.233 28.245 28.738 -0.433 0.000 0.905 20 Q HN 0.321 nan 8.270 nan 0.000 0.429 21 K N -1.127 119.133 120.400 -0.233 0.000 2.103 21 K HA -0.047 4.274 4.320 0.002 0.000 0.204 21 K C 1.960 178.287 176.600 -0.455 0.000 1.052 21 K CA 1.228 57.409 56.287 -0.177 0.000 0.945 21 K CB 0.022 32.534 32.500 0.019 0.000 0.722 21 K HN 0.047 nan 8.250 nan 0.000 0.443 22 V N 0.772 120.249 119.914 -0.728 0.000 2.295 22 V HA -0.278 3.843 4.120 0.002 0.000 0.246 22 V C 2.055 177.805 176.094 -0.572 0.000 1.049 22 V CA 1.711 63.400 62.300 -1.018 0.000 1.024 22 V CB -0.606 30.675 31.823 -0.903 0.000 0.648 22 V HN 0.262 nan 8.190 nan 0.000 0.447 23 Y N 1.847 121.767 120.300 -0.634 0.000 2.081 23 Y HA -0.314 4.237 4.550 0.002 0.000 0.280 23 Y C 2.369 178.079 175.900 -0.317 0.000 1.163 23 Y CA 2.254 60.026 58.100 -0.547 0.000 1.135 23 Y CB -0.769 37.239 38.460 -0.755 0.000 0.970 23 Y HN 0.358 nan 8.280 nan 0.000 0.498 24 N N -0.198 118.552 118.700 0.083 0.000 2.149 24 N HA -0.201 4.540 4.740 0.002 0.000 0.188 24 N C 1.963 177.448 175.510 -0.041 0.000 1.019 24 N CA 0.762 53.859 53.050 0.078 0.000 0.857 24 N CB -0.318 38.205 38.487 0.060 0.000 0.997 24 N HN 0.492 nan 8.380 nan 0.000 0.426 25 A N 1.371 124.134 122.820 -0.096 0.000 1.873 25 A HA -0.094 4.227 4.320 0.002 0.000 0.215 25 A C 2.127 179.638 177.584 -0.121 0.000 1.186 25 A CA 0.986 52.989 52.037 -0.056 0.000 0.616 25 A CB -0.555 18.479 19.000 0.057 0.000 0.823 25 A HN 0.168 nan 8.150 nan 0.000 0.442 26 I N -0.266 120.189 120.570 -0.191 0.000 2.179 26 I HA -0.264 3.907 4.170 0.002 0.000 0.242 26 I C 2.975 179.050 176.117 -0.071 0.000 1.088 26 I CA 1.041 62.263 61.300 -0.129 0.000 1.357 26 I CB -0.346 37.525 38.000 -0.215 0.000 1.051 26 I HN 0.354 nan 8.210 nan 0.000 0.409 27 A N 0.884 123.590 122.820 -0.190 0.000 1.902 27 A HA -0.156 4.165 4.320 0.002 0.000 0.217 27 A C 2.301 179.876 177.584 -0.015 0.000 1.181 27 A CA 1.421 53.382 52.037 -0.127 0.000 0.623 27 A CB -0.830 18.080 19.000 -0.150 0.000 0.818 27 A HN 0.381 nan 8.150 nan 0.000 0.443 28 L N -0.957 120.256 121.223 -0.017 0.000 2.093 28 L HA -0.157 4.185 4.340 0.002 0.000 0.208 28 L C 2.619 179.490 176.870 0.003 0.000 1.085 28 L CA 1.786 56.628 54.840 0.003 0.000 0.755 28 L CB -0.328 41.728 42.059 -0.004 0.000 0.904 28 L HN 0.437 nan 8.230 nan 0.000 0.435 29 K N 0.432 120.813 120.400 -0.032 0.000 2.097 29 K HA -0.132 4.189 4.320 0.002 0.000 0.205 29 K C 2.158 178.855 176.600 0.162 0.000 1.050 29 K CA 0.886 57.125 56.287 -0.080 0.000 0.938 29 K CB 0.045 32.288 32.500 -0.428 0.000 0.718 29 K HN 0.212 nan 8.250 nan 0.000 0.442 30 L N 0.504 121.894 121.223 0.278 0.000 2.042 30 L HA -0.195 4.146 4.340 0.002 0.000 0.210 30 L C 2.783 179.761 176.870 0.181 0.000 1.076 30 L CA 1.340 56.339 54.840 0.266 0.000 0.749 30 L CB -0.362 41.766 42.059 0.115 0.000 0.893 30 L HN 0.255 nan 8.230 nan 0.000 0.432 31 R N 0.066 120.638 120.500 0.119 0.000 2.096 31 R HA -0.232 4.109 4.340 0.002 0.000 0.235 31 R C 2.223 178.587 176.300 0.107 0.000 1.127 31 R CA 1.956 58.115 56.100 0.099 0.000 0.968 31 R CB -0.061 30.280 30.300 0.069 0.000 0.861 31 R HN 0.440 nan 8.270 nan 0.000 0.440 32 E N 0.010 120.268 120.200 0.096 0.000 2.076 32 E HA -0.118 4.233 4.350 0.002 0.000 0.190 32 E C -0.113 176.558 176.600 0.118 0.000 0.979 32 E CA 0.966 57.416 56.400 0.083 0.000 0.807 32 E CB 0.155 29.876 29.700 0.035 0.000 0.761 32 E HN 0.171 nan 8.360 nan 0.000 0.454 33 D N 1.903 122.406 120.400 0.172 0.000 2.994 33 D HA -0.023 4.618 4.640 0.002 0.000 0.240 33 D C -0.093 176.383 176.300 0.293 0.000 1.195 33 D CA 0.140 54.290 54.000 0.250 0.000 0.957 33 D CB 0.370 41.373 40.800 0.338 0.000 1.105 33 D HN 0.316 nan 8.370 nan 0.000 0.477 34 D N -1.210 119.302 120.400 0.187 0.000 2.349 34 D HA -0.105 4.536 4.640 0.002 0.000 0.224 34 D C 1.046 177.339 176.300 -0.011 0.000 1.029 34 D CA 0.298 54.389 54.000 0.152 0.000 0.879 34 D CB 0.145 41.054 40.800 0.181 0.000 0.906 34 D HN 0.013 nan 8.370 nan 0.000 0.528 35 E N -0.814 119.289 120.200 -0.163 0.000 2.385 35 E HA -0.007 4.344 4.350 0.002 0.000 0.194 35 E C 0.051 176.325 176.600 -0.544 0.000 1.013 35 E CA -0.369 55.568 56.400 -0.772 0.000 0.866 35 E CB -0.810 28.568 29.700 -0.536 0.000 0.832 35 E HN 0.584 nan 8.360 nan 0.000 0.500 36 Y N 2.164 122.271 120.300 -0.321 0.000 2.811 36 Y HA 0.008 4.559 4.550 0.002 0.000 0.334 36 Y C 0.488 176.202 175.900 -0.310 0.000 1.247 36 Y CA 0.342 58.228 58.100 -0.357 0.000 1.526 36 Y CB 0.032 38.066 38.460 -0.710 0.000 1.284 36 Y HN 0.073 nan 8.280 nan 0.000 0.586 37 D N 5.093 124.841 120.400 -1.085 0.000 2.737 37 D HA -0.295 4.346 4.640 0.002 0.000 0.238 37 D C -0.409 175.711 176.300 -0.299 0.000 1.157 37 D CA 1.435 55.004 54.000 -0.717 0.000 0.694 37 D CB -1.259 39.077 40.800 -0.774 0.000 1.021 37 D HN 0.814 nan 8.370 nan 0.000 0.420 38 N N 0.523 119.091 118.700 -0.219 0.000 2.738 38 N HA -0.296 4.445 4.740 0.002 0.000 0.249 38 N C -0.129 175.474 175.510 0.155 0.000 1.047 38 N CA 1.334 54.392 53.050 0.012 0.000 0.707 38 N CB -1.363 37.147 38.487 0.039 0.000 0.937 38 N HN 0.660 nan 8.380 nan 0.000 0.545 39 Y N -3.385 116.898 120.300 -0.028 0.000 4.569 39 Y HA -0.287 4.264 4.550 0.002 0.000 0.237 39 Y C 1.570 177.483 175.900 0.022 0.000 1.090 39 Y CA 0.884 58.993 58.100 0.015 0.000 2.052 39 Y CB -2.065 36.408 38.460 0.021 0.000 1.621 39 Y HN 0.411 nan 8.280 nan 0.000 0.682 40 I N -0.599 119.999 120.570 0.047 0.000 2.480 40 I HA 0.171 4.342 4.170 0.002 0.000 0.251 40 I C 1.713 177.879 176.117 0.083 0.000 1.124 40 I CA 1.191 62.529 61.300 0.064 0.000 1.444 40 I CB -0.235 37.784 38.000 0.032 0.000 1.098 40 I HN 0.525 nan 8.210 nan 0.000 0.428 41 G N -0.118 108.728 108.800 0.076 0.000 2.655 41 G HA2 -0.269 3.692 3.960 0.002 0.000 0.680 41 G HA3 -0.269 3.692 3.960 0.002 0.000 0.680 41 G C -0.336 174.641 174.900 0.127 0.000 1.302 41 G CA -0.401 44.780 45.100 0.135 0.000 0.872 41 G HN 0.095 nan 8.290 nan 0.000 0.540 42 Y N 1.651 121.937 120.300 -0.023 0.000 2.511 42 Y HA 0.235 4.786 4.550 0.002 0.000 0.279 42 Y C 2.793 178.534 175.900 -0.266 0.000 1.157 42 Y CA 1.551 59.472 58.100 -0.299 0.000 1.300 42 Y CB -0.010 37.919 38.460 -0.884 0.000 1.052 42 Y HN 0.828 nan 8.280 nan 0.000 0.529 43 G N 1.779 110.566 108.800 -0.023 0.000 2.599 43 G HA2 -0.288 3.673 3.960 0.002 0.000 0.219 43 G HA3 -0.288 3.673 3.960 0.002 0.000 0.219 43 G C -0.544 174.353 174.900 -0.006 0.000 1.193 43 G CA 1.154 46.232 45.100 -0.036 0.000 0.778 43 G HN 0.280 nan 8.290 nan 0.000 0.589 44 P HA -0.062 nan 4.420 nan 0.000 0.215 44 P C 2.111 179.462 177.300 0.084 0.000 1.153 44 P CA 0.894 64.041 63.100 0.077 0.000 0.853 44 P CB -0.197 31.572 31.700 0.115 0.000 0.788 45 V N -0.551 119.407 119.914 0.073 0.000 2.515 45 V HA -0.197 3.924 4.120 0.002 0.000 0.250 45 V C 2.137 178.234 176.094 0.005 0.000 1.058 45 V CA 1.553 63.885 62.300 0.052 0.000 1.064 45 V CB -1.077 30.779 31.823 0.056 0.000 0.675 45 V HN -0.006 nan 8.190 nan 0.000 0.461 46 L N -0.868 120.334 121.223 -0.035 0.000 2.056 46 L HA -0.123 4.218 4.340 0.002 0.000 0.207 46 L C 2.505 179.415 176.870 0.066 0.000 1.078 46 L CA 1.401 56.220 54.840 -0.035 0.000 0.749 46 L CB -0.696 41.293 42.059 -0.117 0.000 0.901 46 L HN 0.228 nan 8.230 nan 0.000 0.433 47 V N 0.058 120.025 119.914 0.089 0.000 2.343 47 V HA -0.298 3.823 4.120 0.002 0.000 0.247 47 V C 2.400 178.661 176.094 0.280 0.000 1.051 47 V CA 1.458 63.870 62.300 0.187 0.000 1.036 47 V CB -0.326 31.550 31.823 0.089 0.000 0.654 47 V HN 0.382 nan 8.190 nan 0.000 0.451 48 L N -0.318 121.034 121.223 0.215 0.000 2.046 48 L HA -0.176 4.165 4.340 0.002 0.000 0.208 48 L C 2.429 179.381 176.870 0.138 0.000 1.077 48 L CA 2.117 57.123 54.840 0.277 0.000 0.747 48 L CB -0.326 41.809 42.059 0.125 0.000 0.896 48 L HN 0.410 nan 8.230 nan 0.000 0.432 49 L N 0.487 121.712 121.223 0.003 0.000 2.046 49 L HA -0.101 4.240 4.340 0.002 0.000 0.208 49 L C 2.594 179.437 176.870 -0.044 0.000 1.077 49 L CA 2.107 56.851 54.840 -0.160 0.000 0.747 49 L CB -0.847 41.077 42.059 -0.226 0.000 0.896 49 L HN 0.188 nan 8.230 nan 0.000 0.432 50 A N -0.318 122.581 122.820 0.133 0.000 1.972 50 A HA -0.238 4.083 4.320 0.002 0.000 0.219 50 A C 2.224 179.976 177.584 0.280 0.000 1.169 50 A CA 1.626 53.789 52.037 0.210 0.000 0.635 50 A CB -1.284 17.895 19.000 0.298 0.000 0.810 50 A HN 0.853 nan 8.150 nan 0.000 0.446 51 W N -0.351 121.088 121.300 0.232 0.000 2.443 51 W HA -0.103 4.557 4.660 0.002 0.000 0.296 51 W C 1.711 178.376 176.519 0.244 0.000 1.202 51 W CA 1.440 58.948 57.345 0.271 0.000 1.312 51 W CB -0.720 28.946 29.460 0.342 0.000 1.120 51 W HN 0.538 nan 8.180 nan 0.000 0.536 52 H N 1.445 120.214 119.070 -0.502 0.000 2.387 52 H HA -0.162 4.395 4.556 0.002 0.000 0.299 52 H C 2.224 177.348 175.328 -0.340 0.000 1.090 52 H CA 2.176 57.855 56.048 -0.615 0.000 1.332 52 H CB 0.077 29.582 29.762 -0.428 0.000 1.386 52 H HN 0.309 nan 8.280 nan 0.000 0.516 53 I N -1.555 118.954 120.570 -0.102 0.000 2.761 53 I HA -0.037 4.134 4.170 0.002 0.000 0.261 53 I C 1.970 178.105 176.117 0.031 0.000 1.198 53 I CA 0.980 62.265 61.300 -0.025 0.000 1.482 53 I CB 0.032 38.026 38.000 -0.010 0.000 1.100 53 I HN -0.108 nan 8.210 nan 0.000 0.445 54 S N 1.145 116.858 115.700 0.022 0.000 2.470 54 S HA 0.199 4.671 4.470 0.002 0.000 0.222 54 S C 1.959 176.608 174.600 0.082 0.000 1.024 54 S CA 0.655 58.893 58.200 0.064 0.000 0.931 54 S CB -0.325 62.933 63.200 0.096 0.000 0.791 54 S HN 0.675 nan 8.310 nan 0.000 0.513 55 G N 1.879 110.635 108.800 -0.072 0.000 2.776 55 G HA2 -0.091 3.870 3.960 0.002 0.000 0.209 55 G HA3 -0.091 3.870 3.960 0.002 0.000 0.209 55 G C 1.281 176.155 174.900 -0.044 0.000 1.145 55 G CA 1.230 46.254 45.100 -0.126 0.000 0.791 55 G HN 0.602 nan 8.290 nan 0.000 0.530 56 T N -3.771 110.782 114.554 -0.001 0.000 3.129 56 T HA 0.020 4.371 4.350 0.002 0.000 0.251 56 T C 0.781 175.548 174.700 0.111 0.000 1.117 56 T CA -0.718 61.404 62.100 0.037 0.000 1.034 56 T CB -0.079 68.817 68.868 0.047 0.000 0.968 56 T HN 0.212 nan 8.240 nan 0.000 0.526 57 W N 2.977 124.256 121.300 -0.035 0.000 2.193 57 W HA 0.396 5.058 4.660 0.002 0.000 0.338 57 W C -0.565 175.916 176.519 -0.063 0.000 1.310 57 W CA -0.312 57.017 57.345 -0.027 0.000 1.243 57 W CB 0.422 29.876 29.460 -0.010 0.000 1.165 57 W HN 0.018 nan 8.180 nan 0.000 0.566 58 D N 5.296 125.226 120.400 -0.783 0.000 2.440 58 D HA 0.061 4.702 4.640 0.002 0.000 0.252 58 D C 0.922 176.436 176.300 -1.310 0.000 1.180 58 D CA -0.411 53.116 54.000 -0.788 0.000 0.894 58 D CB 1.098 41.694 40.800 -0.340 0.000 1.111 58 D HN 0.599 nan 8.370 nan 0.000 0.544 59 K N 2.376 121.828 120.400 -1.580 0.000 2.442 59 K HA -0.159 4.162 4.320 0.002 0.000 0.199 59 K C 0.413 176.567 176.600 -0.744 0.000 1.044 59 K CA 1.164 56.620 56.287 -1.385 0.000 0.941 59 K CB -0.113 31.845 32.500 -0.903 0.000 0.759 59 K HN 0.418 nan 8.250 nan 0.000 0.472 60 H N 1.348 120.163 119.070 -0.425 0.000 2.343 60 H HA -0.033 4.525 4.556 0.002 0.000 0.303 60 H C 0.844 176.060 175.328 -0.187 0.000 1.068 60 H CA 1.524 57.429 56.048 -0.238 0.000 1.359 60 H CB 0.153 29.805 29.762 -0.183 0.000 1.402 60 H HN 0.597 nan 8.280 nan 0.000 0.515 61 D N -1.795 118.545 120.400 -0.099 0.000 2.513 61 D HA 0.040 4.681 4.640 0.002 0.000 0.222 61 D C 0.113 176.376 176.300 -0.063 0.000 1.210 61 D CA -0.270 53.692 54.000 -0.062 0.000 0.825 61 D CB -0.229 40.550 40.800 -0.036 0.000 1.037 61 D HN 0.086 nan 8.370 nan 0.000 0.506 62 N N 0.391 119.016 118.700 -0.124 0.000 2.741 62 N HA -0.176 4.565 4.740 0.002 0.000 0.251 62 N C -0.660 174.975 175.510 0.207 0.000 1.112 62 N CA 1.313 54.406 53.050 0.072 0.000 0.750 62 N CB -1.748 36.806 38.487 0.111 0.000 1.119 62 N HN 0.613 nan 8.380 nan 0.000 0.561 63 T N -2.922 111.666 114.554 0.056 0.000 2.874 63 T HA 0.659 5.010 4.350 0.002 0.000 0.281 63 T C 1.200 176.021 174.700 0.203 0.000 0.994 63 T CA 0.340 62.534 62.100 0.156 0.000 1.015 63 T CB 1.621 70.530 68.868 0.067 0.000 1.028 63 T HN 1.079 nan 8.240 nan 0.000 0.523 64 G N 0.105 109.042 108.800 0.228 0.000 2.645 64 G HA2 0.351 4.312 3.960 0.002 0.000 0.239 64 G HA3 0.351 4.312 3.960 0.002 0.000 0.239 64 G C 0.359 175.463 174.900 0.339 0.000 1.331 64 G CA 0.035 45.278 45.100 0.237 0.000 0.890 64 G HN 2.767 nan 8.290 nan 0.000 0.572 65 G N -2.817 106.154 108.800 0.285 0.000 2.710 65 G HA2 0.309 4.270 3.960 0.002 0.000 0.668 65 G HA3 0.309 4.270 3.960 0.002 0.000 0.668 65 G C 1.209 176.174 174.900 0.109 0.000 1.320 65 G CA 1.208 46.411 45.100 0.172 0.000 0.860 65 G HN 2.489 nan 8.290 nan 0.000 0.538 66 S N -1.328 114.408 115.700 0.060 0.000 2.461 66 S HA -0.046 4.425 4.470 0.002 0.000 0.228 66 S C 1.884 176.548 174.600 0.108 0.000 1.005 66 S CA 1.689 59.952 58.200 0.104 0.000 0.942 66 S CB -0.295 62.956 63.200 0.085 0.000 0.776 66 S HN 1.321 nan 8.310 nan 0.000 0.514 67 Y N 3.028 123.274 120.300 -0.089 0.000 2.030 67 Y HA -0.177 4.374 4.550 0.002 0.000 0.272 67 Y C 2.462 178.329 175.900 -0.055 0.000 1.185 67 Y CA 1.805 59.825 58.100 -0.134 0.000 1.120 67 Y CB -1.052 37.200 38.460 -0.347 0.000 0.955 67 Y HN 0.353 nan 8.280 nan 0.000 0.495 68 G N -1.642 107.187 108.800 0.048 0.000 2.650 68 G HA2 0.117 4.078 3.960 0.002 0.000 0.214 68 G HA3 0.117 4.078 3.960 0.002 0.000 0.214 68 G C 1.319 176.274 174.900 0.093 0.000 1.136 68 G CA 0.462 45.599 45.100 0.063 0.000 0.789 68 G HN 1.016 nan 8.290 nan 0.000 0.536 69 G N 0.280 109.163 108.800 0.138 0.000 2.283 69 G HA2 -0.325 3.636 3.960 0.002 0.000 0.280 69 G HA3 -0.325 3.636 3.960 0.002 0.000 0.280 69 G C 1.276 176.330 174.900 0.257 0.000 1.029 69 G CA 1.553 46.796 45.100 0.238 0.000 0.840 69 G HN 1.164 nan 8.290 nan 0.000 0.505 70 T N -3.334 111.383 114.554 0.270 0.000 2.929 70 T HA -0.202 4.149 4.350 0.002 0.000 0.271 70 T C 1.875 176.719 174.700 0.241 0.000 1.085 70 T CA 1.638 63.922 62.100 0.306 0.000 1.125 70 T CB -0.227 68.878 68.868 0.396 0.000 0.874 70 T HN 0.879 nan 8.240 nan 0.000 0.494 71 Y N 3.625 124.018 120.300 0.155 0.000 2.365 71 Y HA -0.211 4.340 4.550 0.002 0.000 0.287 71 Y C 2.437 178.367 175.900 0.050 0.000 1.162 71 Y CA 1.495 59.642 58.100 0.079 0.000 1.260 71 Y CB -0.448 37.951 38.460 -0.100 0.000 0.976 71 Y HN 0.387 nan 8.280 nan 0.000 0.548 72 R N -1.022 119.422 120.500 -0.092 0.000 2.189 72 R HA -0.084 4.257 4.340 0.002 0.000 0.223 72 R C -0.338 175.619 176.300 -0.572 0.000 1.092 72 R CA 0.565 56.452 56.100 -0.356 0.000 0.989 72 R CB -0.821 29.316 30.300 -0.271 0.000 0.876 72 R HN 0.176 nan 8.270 nan 0.000 0.457 73 F N 1.819 121.721 119.950 -0.079 0.000 2.384 73 F HA 0.327 4.855 4.527 0.002 0.000 0.338 73 F C 1.489 177.230 175.800 -0.098 0.000 1.103 73 F CA -1.249 56.703 58.000 -0.080 0.000 1.157 73 F CB 1.218 40.216 39.000 -0.003 0.000 1.167 73 F HN -0.257 nan 8.300 nan 0.000 0.529 74 K N 1.595 122.062 120.400 0.111 0.000 2.034 74 K HA -0.293 4.028 4.320 0.002 0.000 0.214 74 K C 2.108 178.778 176.600 0.116 0.000 1.051 74 K CA 2.108 58.432 56.287 0.063 0.000 0.931 74 K CB -0.087 32.439 32.500 0.042 0.000 0.715 74 K HN 0.602 nan 8.250 nan 0.000 0.446 75 K N 1.115 121.586 120.400 0.117 0.000 2.015 75 K HA -0.279 4.043 4.320 0.002 0.000 0.216 75 K C 2.078 178.745 176.600 0.112 0.000 1.052 75 K CA 2.288 58.634 56.287 0.099 0.000 0.937 75 K CB -0.119 32.432 32.500 0.084 0.000 0.719 75 K HN 0.184 nan 8.250 nan 0.000 0.446 76 E N -0.829 119.459 120.200 0.147 0.000 2.152 76 E HA -0.164 4.187 4.350 0.002 0.000 0.192 76 E C 1.847 178.532 176.600 0.143 0.000 0.983 76 E CA 0.724 57.219 56.400 0.158 0.000 0.818 76 E CB -0.152 29.676 29.700 0.213 0.000 0.758 76 E HN 0.417 nan 8.360 nan 0.000 0.467 77 F N 1.392 121.247 119.950 -0.157 0.000 2.234 77 F HA -0.035 4.493 4.527 0.002 0.000 0.299 77 F C 1.388 177.110 175.800 -0.131 0.000 1.087 77 F CA 1.041 58.805 58.000 -0.394 0.000 1.340 77 F CB 0.200 38.800 39.000 -0.666 0.000 1.031 77 F HN 0.002 nan 8.300 nan 0.000 0.500 78 N N 0.700 119.436 118.700 0.060 0.000 2.276 78 N HA -0.036 4.705 4.740 0.002 0.000 0.212 78 N C -0.523 174.999 175.510 0.020 0.000 1.127 78 N CA 0.152 53.216 53.050 0.023 0.000 0.834 78 N CB -0.589 37.947 38.487 0.081 0.000 1.014 78 N HN 0.255 nan 8.380 nan 0.000 0.491 79 D N 1.484 121.904 120.400 0.035 0.000 2.434 79 D HA 0.042 4.683 4.640 0.002 0.000 0.252 79 D C -1.413 174.912 176.300 0.042 0.000 1.185 79 D CA -1.720 52.311 54.000 0.053 0.000 0.886 79 D CB 1.488 42.334 40.800 0.076 0.000 1.148 79 D HN 0.019 nan 8.370 nan 0.000 0.483 80 P HA -0.144 nan 4.420 nan 0.000 0.217 80 P C 1.078 178.420 177.300 0.071 0.000 1.151 80 P CA 1.165 64.293 63.100 0.045 0.000 0.849 80 P CB 0.171 31.898 31.700 0.044 0.000 0.787 81 S N -1.137 114.618 115.700 0.091 0.000 2.474 81 S HA -0.060 4.412 4.470 0.002 0.000 0.235 81 S C 1.360 176.110 174.600 0.251 0.000 0.997 81 S CA 0.843 59.134 58.200 0.151 0.000 0.949 81 S CB -0.744 62.507 63.200 0.085 0.000 0.766 81 S HN 0.228 nan 8.310 nan 0.000 0.517 82 N N 1.383 120.176 118.700 0.155 0.000 2.280 82 N HA 0.290 5.031 4.740 0.002 0.000 0.192 82 N C 0.211 175.702 175.510 -0.031 0.000 1.109 82 N CA 0.015 53.125 53.050 0.100 0.000 0.855 82 N CB 0.034 38.601 38.487 0.132 0.000 0.974 82 N HN 0.338 nan 8.380 nan 0.000 0.482 83 A N 0.060 122.879 122.820 -0.003 0.000 2.584 83 A HA 0.381 4.702 4.320 0.002 0.000 0.239 83 A C 1.516 179.071 177.584 -0.048 0.000 1.043 83 A CA 1.012 53.030 52.037 -0.032 0.000 0.756 83 A CB -0.380 18.625 19.000 0.008 0.000 0.963 83 A HN 0.475 nan 8.150 nan 0.000 0.511 84 G N 1.040 109.799 108.800 -0.067 0.000 2.241 84 G HA2 -0.258 3.703 3.960 0.002 0.000 0.244 84 G HA3 -0.258 3.703 3.960 0.002 0.000 0.244 84 G C 0.857 175.724 174.900 -0.055 0.000 0.998 84 G CA 0.415 45.477 45.100 -0.063 0.000 0.621 84 G HN 0.783 nan 8.290 nan 0.000 0.519 85 L N 1.734 122.898 121.223 -0.099 0.000 2.291 85 L HA -0.069 4.272 4.340 0.002 0.000 0.214 85 L C 3.124 180.015 176.870 0.035 0.000 1.120 85 L CA 1.664 56.443 54.840 -0.101 0.000 0.799 85 L CB -0.450 41.468 42.059 -0.236 0.000 0.925 85 L HN 0.532 nan 8.230 nan 0.000 0.446 86 Q N -0.318 119.474 119.800 -0.013 0.000 2.297 86 Q HA -0.207 4.134 4.340 0.002 0.000 0.208 86 Q C 1.318 177.493 176.000 0.292 0.000 0.981 86 Q CA 1.289 57.173 55.803 0.136 0.000 0.876 86 Q CB -0.826 27.947 28.738 0.059 0.000 0.921 86 Q HN 0.494 nan 8.270 nan 0.000 0.446 87 N N 1.148 119.962 118.700 0.188 0.000 2.216 87 N HA -0.059 4.682 4.740 0.002 0.000 0.183 87 N C 1.892 177.532 175.510 0.216 0.000 1.017 87 N CA 1.497 54.670 53.050 0.206 0.000 0.861 87 N CB -0.544 38.039 38.487 0.160 0.000 0.986 87 N HN 0.529 nan 8.380 nan 0.000 0.428 88 G N -0.282 108.617 108.800 0.164 0.000 2.421 88 G HA2 -0.181 3.780 3.960 0.002 0.000 0.217 88 G HA3 -0.181 3.780 3.960 0.002 0.000 0.217 88 G C 1.389 176.426 174.900 0.228 0.000 1.143 88 G CA 0.003 45.172 45.100 0.115 0.000 0.784 88 G HN 0.258 nan 8.290 nan 0.000 0.541 89 F N 2.113 122.176 119.950 0.189 0.000 2.051 89 F HA -0.068 4.460 4.527 0.002 0.000 0.296 89 F C 2.873 178.819 175.800 0.243 0.000 1.122 89 F CA 2.135 60.321 58.000 0.310 0.000 1.201 89 F CB -0.262 39.056 39.000 0.529 0.000 0.978 89 F HN 0.032 nan 8.300 nan 0.000 0.472 90 K N 0.026 120.595 120.400 0.282 0.000 2.211 90 K HA -0.200 4.121 4.320 0.002 0.000 0.204 90 K C 1.827 178.409 176.600 -0.030 0.000 1.047 90 K CA 1.322 57.663 56.287 0.091 0.000 0.935 90 K CB -1.480 31.125 32.500 0.176 0.000 0.728 90 K HN 0.565 nan 8.250 nan 0.000 0.452 91 F N 0.845 120.679 119.950 -0.194 0.000 2.146 91 F HA 0.043 4.571 4.527 0.001 0.000 0.298 91 F C 1.696 177.325 175.800 -0.285 0.000 1.096 91 F CA 1.347 59.115 58.000 -0.387 0.000 1.275 91 F CB -0.104 38.498 39.000 -0.663 0.000 1.008 91 F HN -0.038 nan 8.300 nan 0.000 0.480 92 L N -0.175 121.055 121.223 0.012 0.000 2.240 92 L HA -0.083 4.258 4.340 0.002 0.000 0.211 92 L C 2.289 179.039 176.870 -0.201 0.000 1.106 92 L CA 0.766 55.562 54.840 -0.074 0.000 0.793 92 L CB -0.722 41.376 42.059 0.064 0.000 0.927 92 L HN 0.156 nan 8.230 nan 0.000 0.446 93 E N 0.710 120.740 120.200 -0.283 0.000 2.035 93 E HA -0.247 4.104 4.350 0.002 0.000 0.204 93 E C -0.595 175.904 176.600 -0.168 0.000 1.025 93 E CA 2.027 58.266 56.400 -0.269 0.000 0.835 93 E CB -1.008 28.518 29.700 -0.289 0.000 0.764 93 E HN 0.390 nan 8.360 nan 0.000 0.457 94 P HA -0.193 nan 4.420 nan 0.000 0.217 94 P C 1.395 178.609 177.300 -0.143 0.000 1.148 94 P CA 1.426 64.421 63.100 -0.175 0.000 0.834 94 P CB -0.185 31.380 31.700 -0.225 0.000 0.783 95 I N -1.219 119.262 120.570 -0.148 0.000 2.286 95 I HA -0.196 3.975 4.170 0.002 0.000 0.245 95 I C 2.743 178.892 176.117 0.053 0.000 1.104 95 I CA 1.286 62.553 61.300 -0.054 0.000 1.397 95 I CB -1.105 36.810 38.000 -0.141 0.000 1.072 95 I HN 0.060 nan 8.210 nan 0.000 0.417 96 H N 1.172 120.158 119.070 -0.139 0.000 2.353 96 H HA -0.168 4.389 4.556 0.002 0.000 0.300 96 H C 2.509 177.742 175.328 -0.159 0.000 1.090 96 H CA 1.504 57.450 56.048 -0.170 0.000 1.327 96 H CB 0.336 29.977 29.762 -0.201 0.000 1.383 96 H HN -0.031 nan 8.280 nan 0.000 0.508 97 K N 0.314 120.697 120.400 -0.029 0.000 2.103 97 K HA -0.174 4.147 4.320 0.002 0.000 0.207 97 K C 1.982 178.492 176.600 -0.150 0.000 1.048 97 K CA 1.629 57.846 56.287 -0.116 0.000 0.930 97 K CB -0.226 32.202 32.500 -0.120 0.000 0.716 97 K HN 0.552 nan 8.250 nan 0.000 0.444 98 E N -1.712 118.383 120.200 -0.174 0.000 2.216 98 E HA -0.021 4.330 4.350 0.002 0.000 0.192 98 E C -0.421 175.804 176.600 -0.625 0.000 0.988 98 E CA 0.720 56.872 56.400 -0.413 0.000 0.834 98 E CB 0.231 29.617 29.700 -0.523 0.000 0.772 98 E HN 0.464 nan 8.360 nan 0.000 0.479 99 F N -0.243 119.583 119.950 -0.206 0.000 2.584 99 F HA 0.316 4.843 4.527 0.002 0.000 0.328 99 F C -2.104 173.367 175.800 -0.548 0.000 1.407 99 F CA -2.059 55.672 58.000 -0.448 0.000 1.145 99 F CB 1.535 40.164 39.000 -0.618 0.000 1.440 99 F HN -0.052 nan 8.300 nan 0.000 0.580 100 P HA -0.145 nan 4.420 nan 0.000 0.225 100 P C 1.502 178.753 177.300 -0.082 0.000 1.148 100 P CA 1.160 64.166 63.100 -0.156 0.000 0.779 100 P CB -0.110 31.523 31.700 -0.110 0.000 0.780 101 W N -1.102 120.252 121.300 0.089 0.000 2.800 101 W HA 0.222 4.883 4.660 0.002 0.000 0.249 101 W C 0.499 177.090 176.519 0.120 0.000 1.294 101 W CA -0.444 56.946 57.345 0.075 0.000 1.402 101 W CB -1.102 28.382 29.460 0.040 0.000 1.126 101 W HN -0.100 nan 8.180 nan 0.000 0.652 102 I N 3.875 124.218 120.570 -0.379 0.000 2.474 102 I HA 0.043 4.214 4.170 0.002 0.000 0.287 102 I C 1.124 177.270 176.117 0.049 0.000 1.048 102 I CA -0.121 61.052 61.300 -0.212 0.000 1.383 102 I CB 1.153 38.758 38.000 -0.658 0.000 1.412 102 I HN -0.119 nan 8.210 nan 0.000 0.531 103 S N 4.395 120.157 115.700 0.104 0.000 2.593 103 S HA 0.129 4.600 4.470 0.002 0.000 0.269 103 S C 1.043 175.565 174.600 -0.129 0.000 1.334 103 S CA -0.329 57.892 58.200 0.034 0.000 1.015 103 S CB 1.606 64.819 63.200 0.022 0.000 0.912 103 S HN 0.742 nan 8.310 nan 0.000 0.541 104 S N 2.187 117.780 115.700 -0.179 0.000 2.353 104 S HA -0.042 4.429 4.470 0.002 0.000 0.222 104 S C 2.158 176.355 174.600 -0.673 0.000 1.035 104 S CA 1.539 59.416 58.200 -0.539 0.000 1.025 104 S CB -1.352 61.641 63.200 -0.346 0.000 0.902 104 S HN 0.973 nan 8.310 nan 0.000 0.440 105 G N 1.516 110.172 108.800 -0.241 0.000 2.440 105 G HA2 -0.259 3.702 3.960 0.002 0.000 0.218 105 G HA3 -0.259 3.702 3.960 0.002 0.000 0.218 105 G C 1.055 175.977 174.900 0.037 0.000 1.154 105 G CA 1.258 46.343 45.100 -0.026 0.000 0.767 105 G HN 0.390 nan 8.290 nan 0.000 0.552 106 D N -0.093 120.336 120.400 0.048 0.000 2.097 106 D HA -0.086 4.555 4.640 0.002 0.000 0.195 106 D C 2.384 178.789 176.300 0.175 0.000 0.989 106 D CA 0.582 54.776 54.000 0.324 0.000 0.827 106 D CB -0.365 40.702 40.800 0.444 0.000 0.966 106 D HN 0.247 nan 8.370 nan 0.000 0.456 107 L N -0.054 121.070 121.223 -0.166 0.000 2.017 107 L HA -0.142 4.199 4.340 0.002 0.000 0.208 107 L C 1.992 178.797 176.870 -0.107 0.000 1.073 107 L CA 1.484 56.140 54.840 -0.306 0.000 0.745 107 L CB -0.561 41.108 42.059 -0.649 0.000 0.894 107 L HN -0.111 nan 8.230 nan 0.000 0.432 108 F N 0.065 120.011 119.950 -0.007 0.000 2.126 108 F HA -0.201 4.327 4.527 0.002 0.000 0.299 108 F C 2.934 178.759 175.800 0.042 0.000 1.096 108 F CA 1.262 59.280 58.000 0.030 0.000 1.255 108 F CB -1.799 37.243 39.000 0.072 0.000 0.997 108 F HN 0.368 nan 8.300 nan 0.000 0.479 109 S N -0.052 115.820 115.700 0.287 0.000 2.387 109 S HA -0.103 4.368 4.470 0.002 0.000 0.226 109 S C 1.970 176.649 174.600 0.131 0.000 1.026 109 S CA 0.738 59.094 58.200 0.261 0.000 0.972 109 S CB -0.948 62.476 63.200 0.373 0.000 0.814 109 S HN 0.257 nan 8.310 nan 0.000 0.477 110 L N 2.812 123.992 121.223 -0.072 0.000 2.141 110 L HA 0.237 4.578 4.340 0.002 0.000 0.209 110 L C 2.358 179.067 176.870 -0.267 0.000 1.094 110 L CA 1.708 56.252 54.840 -0.494 0.000 0.763 110 L CB -1.403 40.177 42.059 -0.798 0.000 0.908 110 L HN 0.384 nan 8.230 nan 0.000 0.437 111 G N -0.945 107.781 108.800 -0.124 0.000 2.440 111 G HA2 -0.225 3.736 3.960 0.002 0.000 0.218 111 G HA3 -0.225 3.736 3.960 0.002 0.000 0.218 111 G C 1.522 176.403 174.900 -0.033 0.000 1.154 111 G CA 0.610 45.658 45.100 -0.086 0.000 0.767 111 G HN 0.577 nan 8.290 nan 0.000 0.552 112 G N 0.469 109.323 108.800 0.088 0.000 2.459 112 G HA2 -0.179 3.782 3.960 0.002 0.000 0.217 112 G HA3 -0.179 3.782 3.960 0.002 0.000 0.217 112 G C 1.805 176.861 174.900 0.260 0.000 1.183 112 G CA 1.316 46.565 45.100 0.249 0.000 0.776 112 G HN 0.316 nan 8.290 nan 0.000 0.552 113 V N 1.088 121.142 119.914 0.232 0.000 2.255 113 V HA -0.213 3.908 4.120 0.002 0.000 0.247 113 V C 3.212 179.360 176.094 0.090 0.000 1.051 113 V CA 2.482 64.918 62.300 0.227 0.000 1.018 113 V CB -1.055 30.884 31.823 0.193 0.000 0.641 113 V HN 0.432 nan 8.190 nan 0.000 0.445 114 T N 0.426 114.929 114.554 -0.086 0.000 2.684 114 T HA -0.202 4.149 4.350 0.002 0.000 0.267 114 T C 2.064 176.638 174.700 -0.210 0.000 1.036 114 T CA 1.706 63.593 62.100 -0.355 0.000 1.148 114 T CB -0.538 67.900 68.868 -0.717 0.000 0.863 114 T HN 0.580 nan 8.240 nan 0.000 0.436 115 A N 1.142 123.879 122.820 -0.139 0.000 1.865 115 A HA -0.088 4.233 4.320 0.002 0.000 0.217 115 A C 2.636 180.165 177.584 -0.093 0.000 1.191 115 A CA 1.718 53.695 52.037 -0.100 0.000 0.623 115 A CB -1.213 17.746 19.000 -0.067 0.000 0.826 115 A HN 0.337 nan 8.150 nan 0.000 0.444 116 V N 0.123 119.966 119.914 -0.119 0.000 2.255 116 V HA -0.354 3.767 4.120 0.002 0.000 0.247 116 V C 2.705 178.638 176.094 -0.268 0.000 1.051 116 V CA 2.419 64.543 62.300 -0.294 0.000 1.018 116 V CB -0.998 30.562 31.823 -0.439 0.000 0.641 116 V HN 0.662 nan 8.190 nan 0.000 0.445 117 Q N -0.757 118.972 119.800 -0.118 0.000 2.119 117 Q HA -0.182 4.159 4.340 0.002 0.000 0.201 117 Q C 2.229 178.236 176.000 0.011 0.000 0.972 117 Q CA 1.205 56.989 55.803 -0.032 0.000 0.847 117 Q CB -0.175 28.648 28.738 0.143 0.000 0.903 117 Q HN 0.590 nan 8.270 nan 0.000 0.433 118 E N 0.176 120.382 120.200 0.009 0.000 2.347 118 E HA -0.031 4.320 4.350 0.002 0.000 0.196 118 E C 1.215 177.827 176.600 0.021 0.000 1.008 118 E CA 0.701 57.115 56.400 0.024 0.000 0.852 118 E CB 0.114 29.808 29.700 -0.010 0.000 0.783 118 E HN 0.427 nan 8.360 nan 0.000 0.505 119 M N 0.039 119.638 119.600 -0.002 0.000 2.551 119 M HA 0.058 4.539 4.480 0.002 0.000 0.252 119 M C -0.313 176.025 176.300 0.062 0.000 1.219 119 M CA 0.205 55.528 55.300 0.037 0.000 0.978 119 M CB 0.160 32.790 32.600 0.050 0.000 1.533 119 M HN -0.074 nan 8.290 nan 0.000 0.474 120 Q N -1.109 118.711 119.800 0.034 0.000 2.489 120 Q HA -0.143 4.198 4.340 0.002 0.000 0.259 120 Q C 0.493 176.500 176.000 0.012 0.000 0.934 120 Q CA 0.321 56.162 55.803 0.063 0.000 1.131 120 Q CB -2.166 26.648 28.738 0.127 0.000 1.472 120 Q HN 0.752 nan 8.270 nan 0.000 0.560 121 G N 1.006 109.655 108.800 -0.251 0.000 2.516 121 G HA2 0.499 4.460 3.960 0.002 0.000 0.276 121 G HA3 0.499 4.460 3.960 0.002 0.000 0.276 121 G C -2.100 172.375 174.900 -0.708 0.000 1.390 121 G CA -0.641 43.945 45.100 -0.857 0.000 1.050 121 G HN 0.066 nan 8.290 nan 0.000 0.519 122 P HA 0.258 nan 4.420 nan 0.000 0.276 122 P C -0.760 176.389 177.300 -0.252 0.000 1.261 122 P CA -0.606 62.224 63.100 -0.450 0.000 0.800 122 P CB 0.789 32.230 31.700 -0.432 0.000 1.066 123 K N 1.138 121.482 120.400 -0.094 0.000 2.322 123 K HA 0.342 4.663 4.320 0.002 0.000 0.283 123 K C 0.040 176.638 176.600 -0.002 0.000 1.042 123 K CA -0.255 56.020 56.287 -0.021 0.000 0.958 123 K CB 0.032 32.531 32.500 -0.001 0.000 0.984 123 K HN 0.405 nan 8.250 nan 0.000 0.473 124 I N 5.591 126.198 120.570 0.062 0.000 2.382 124 I HA 0.248 4.419 4.170 0.002 0.000 0.285 124 I C -2.274 173.921 176.117 0.129 0.000 1.007 124 I CA -2.657 58.711 61.300 0.113 0.000 1.142 124 I CB 1.256 39.397 38.000 0.234 0.000 1.289 124 I HN 0.126 nan 8.210 nan 0.000 0.453 125 P HA 0.060 nan 4.420 nan 0.000 0.268 125 P C -1.042 176.317 177.300 0.098 0.000 1.204 125 P CA 0.174 63.280 63.100 0.010 0.000 0.768 125 P CB 0.550 32.206 31.700 -0.073 0.000 0.842 126 W N 4.397 125.624 121.300 -0.122 0.000 2.915 126 W HA 0.502 5.163 4.660 0.002 0.000 0.337 126 W C -0.955 175.434 176.519 -0.217 0.000 1.102 126 W CA -0.673 56.632 57.345 -0.066 0.000 1.224 126 W CB 1.753 31.330 29.460 0.196 0.000 1.416 126 W HN 0.213 nan 8.180 nan 0.000 0.503 127 R N 4.284 124.138 120.500 -1.078 0.000 2.599 127 R HA 0.564 4.905 4.340 0.002 0.000 0.295 127 R C -0.181 175.109 176.300 -1.684 0.000 0.963 127 R CA -0.767 54.592 56.100 -1.234 0.000 0.883 127 R CB 1.182 30.841 30.300 -1.068 0.000 1.171 127 R HN 0.665 nan 8.270 nan 0.000 0.450 128 C N -0.549 117.957 119.300 -1.324 0.000 2.396 128 C HA 0.900 5.361 4.460 0.002 0.000 0.359 128 C C 1.401 176.233 174.990 -0.263 0.000 1.307 128 C CA 0.569 59.070 59.018 -0.861 0.000 2.392 128 C CB 0.491 27.868 27.740 -0.604 0.000 2.245 128 C HN 1.054 nan 8.230 nan 0.000 0.615 129 G N 0.324 109.107 108.800 -0.028 0.000 2.205 129 G HA2 -0.108 3.853 3.960 0.002 0.000 0.180 129 G HA3 -0.108 3.853 3.960 0.002 0.000 0.180 129 G C 0.028 174.934 174.900 0.011 0.000 1.004 129 G CA -0.263 44.875 45.100 0.063 0.000 0.670 129 G HN 0.942 nan 8.290 nan 0.000 0.496 130 R N 0.012 120.471 120.500 -0.068 0.000 2.643 130 R HA 0.502 4.843 4.340 0.002 0.000 0.270 130 R C -0.204 175.844 176.300 -0.420 0.000 1.061 130 R CA 0.098 55.999 56.100 -0.331 0.000 1.107 130 R CB 1.281 31.456 30.300 -0.208 0.000 0.999 130 R HN 0.085 nan 8.270 nan 0.000 0.460 131 V N 2.754 122.118 119.914 -0.917 0.000 2.487 131 V HA 0.097 4.218 4.120 0.002 0.000 0.298 131 V C -0.592 175.285 176.094 -0.361 0.000 1.028 131 V CA -0.986 61.040 62.300 -0.456 0.000 0.860 131 V CB 1.870 33.546 31.823 -0.245 0.000 0.991 131 V HN 0.685 nan 8.190 nan 0.000 0.427 132 D N 3.208 123.530 120.400 -0.129 0.000 2.488 132 D HA 0.332 4.973 4.640 0.002 0.000 0.238 132 D C 0.564 176.901 176.300 0.062 0.000 1.138 132 D CA 0.650 54.637 54.000 -0.021 0.000 0.873 132 D CB 0.903 41.713 40.800 0.017 0.000 1.183 132 D HN 0.810 nan 8.370 nan 0.000 0.458 133 T N -0.800 113.845 114.554 0.152 0.000 2.942 133 T HA 0.711 5.062 4.350 0.002 0.000 0.289 133 T C -2.728 172.150 174.700 0.296 0.000 1.044 133 T CA -2.164 60.065 62.100 0.215 0.000 1.023 133 T CB 1.752 70.768 68.868 0.246 0.000 1.123 133 T HN -0.038 nan 8.240 nan 0.000 0.512 134 P HA 0.197 nan 4.420 nan 0.000 0.270 134 P C 0.610 177.828 177.300 -0.136 0.000 1.223 134 P CA -0.271 62.877 63.100 0.079 0.000 0.785 134 P CB 0.447 32.160 31.700 0.021 0.000 0.923 135 E N 1.118 120.894 120.200 -0.708 0.000 2.396 135 E HA -0.229 4.122 4.350 0.002 0.000 0.200 135 E C 0.824 177.077 176.600 -0.578 0.000 1.023 135 E CA 1.024 56.494 56.400 -1.550 0.000 0.857 135 E CB -0.073 28.724 29.700 -1.504 0.000 0.775 135 E HN 0.445 nan 8.360 nan 0.000 0.525 136 D N -0.577 119.657 120.400 -0.277 0.000 2.340 136 D HA -0.092 4.549 4.640 0.002 0.000 0.220 136 D C 1.471 177.750 176.300 -0.036 0.000 1.039 136 D CA 1.024 54.949 54.000 -0.125 0.000 0.866 136 D CB -0.119 40.630 40.800 -0.085 0.000 0.913 136 D HN 0.158 nan 8.370 nan 0.000 0.523 137 T N -3.069 111.485 114.554 0.001 0.000 3.086 137 T HA 0.078 4.429 4.350 0.002 0.000 0.250 137 T C 0.668 175.442 174.700 0.123 0.000 1.074 137 T CA -0.301 61.855 62.100 0.093 0.000 0.988 137 T CB -0.687 68.277 68.868 0.159 0.000 0.988 137 T HN -0.115 nan 8.240 nan 0.000 0.530 138 T N 5.915 120.526 114.554 0.095 0.000 2.817 138 T HA 0.262 4.614 4.350 0.002 0.000 0.295 138 T C -2.365 172.400 174.700 0.109 0.000 0.958 138 T CA -0.837 61.355 62.100 0.153 0.000 1.157 138 T CB 0.690 69.645 68.868 0.145 0.000 0.898 138 T HN 0.324 nan 8.240 nan 0.000 0.536 139 P HA 0.176 nan 4.420 nan 0.000 0.271 139 P C -0.273 177.073 177.300 0.077 0.000 1.218 139 P CA -0.473 62.682 63.100 0.092 0.000 0.780 139 P CB 0.726 32.484 31.700 0.097 0.000 0.901 140 D N 1.811 122.245 120.400 0.055 0.000 2.382 140 D HA 0.077 4.718 4.640 0.002 0.000 0.240 140 D C 0.506 176.837 176.300 0.051 0.000 1.146 140 D CA 0.294 54.323 54.000 0.048 0.000 0.897 140 D CB 0.448 41.269 40.800 0.035 0.000 1.197 140 D HN 0.290 nan 8.370 nan 0.000 0.432 141 N N -0.180 118.550 118.700 0.051 0.000 2.381 141 N HA 0.265 5.007 4.740 0.002 0.000 0.241 141 N C 1.223 176.761 175.510 0.047 0.000 1.279 141 N CA 0.563 53.643 53.050 0.050 0.000 0.896 141 N CB 0.584 39.100 38.487 0.049 0.000 1.118 141 N HN 0.647 nan 8.380 nan 0.000 0.438 142 G N -0.124 108.705 108.800 0.048 0.000 2.144 142 G HA2 -0.265 3.697 3.960 0.002 0.000 0.218 142 G HA3 -0.265 3.697 3.960 0.002 0.000 0.218 142 G C 0.762 175.710 174.900 0.080 0.000 0.988 142 G CA -0.043 45.095 45.100 0.062 0.000 0.659 142 G HN 0.573 nan 8.290 nan 0.000 0.522 143 R N -0.757 119.781 120.500 0.063 0.000 2.290 143 R HA 0.373 4.714 4.340 0.002 0.000 0.197 143 R C 1.069 177.460 176.300 0.152 0.000 0.913 143 R CA 0.007 56.159 56.100 0.086 0.000 1.040 143 R CB 0.295 30.616 30.300 0.035 0.000 0.992 143 R HN 0.397 nan 8.270 nan 0.000 0.500 144 L N 2.773 124.023 121.223 0.045 0.000 2.375 144 L HA 0.336 4.677 4.340 0.002 0.000 0.271 144 L C -1.943 174.904 176.870 -0.037 0.000 1.107 144 L CA -2.223 52.573 54.840 -0.074 0.000 0.806 144 L CB 0.705 42.566 42.059 -0.331 0.000 1.146 144 L HN -0.142 nan 8.230 nan 0.000 0.447 145 P HA 0.141 nan 4.420 nan 0.000 0.277 145 P C -1.340 175.958 177.300 -0.003 0.000 1.240 145 P CA -0.509 62.380 63.100 -0.351 0.000 0.798 145 P CB 0.823 31.938 31.700 -0.976 0.000 0.979 146 D N 0.404 120.855 120.400 0.084 0.000 2.283 146 D HA 0.268 4.909 4.640 0.002 0.000 0.248 146 D C 0.989 177.296 176.300 0.011 0.000 1.072 146 D CA -0.365 53.635 54.000 0.001 0.000 0.929 146 D CB 1.375 42.089 40.800 -0.143 0.000 1.182 146 D HN 0.332 nan 8.370 nan 0.000 0.433 147 A N 1.179 124.028 122.820 0.049 0.000 2.095 147 A HA -0.066 4.255 4.320 0.002 0.000 0.212 147 A C 0.829 178.430 177.584 0.029 0.000 1.162 147 A CA 0.308 52.354 52.037 0.015 0.000 0.753 147 A CB 0.017 18.928 19.000 -0.148 0.000 0.840 147 A HN 0.517 nan 8.150 nan 0.000 0.468 148 D N 0.098 120.533 120.400 0.059 0.000 3.060 148 D HA 0.190 4.831 4.640 0.002 0.000 0.245 148 D C 0.056 176.357 176.300 0.000 0.000 1.274 148 D CA -0.012 54.038 54.000 0.083 0.000 0.864 148 D CB 0.062 40.929 40.800 0.111 0.000 1.073 148 D HN 0.066 nan 8.370 nan 0.000 0.473 149 K N 0.296 120.689 120.400 -0.013 0.000 2.263 149 K HA 0.344 4.665 4.320 0.002 0.000 0.249 149 K C -0.050 176.633 176.600 0.138 0.000 1.076 149 K CA -0.617 55.652 56.287 -0.029 0.000 0.884 149 K CB 1.236 33.530 32.500 -0.343 0.000 1.394 149 K HN 0.198 nan 8.250 nan 0.000 0.476 150 D N -1.299 119.218 120.400 0.194 0.000 2.569 150 D HA 0.326 4.967 4.640 0.002 0.000 0.266 150 D C 0.729 177.212 176.300 0.305 0.000 1.164 150 D CA -0.563 53.578 54.000 0.235 0.000 1.071 150 D CB 0.720 41.637 40.800 0.196 0.000 1.183 150 D HN 0.343 nan 8.370 nan 0.000 0.613 151 A N -0.176 122.816 122.820 0.287 0.000 1.978 151 A HA -0.002 4.319 4.320 0.002 0.000 0.220 151 A C 2.015 179.803 177.584 0.341 0.000 1.170 151 A CA 2.181 54.444 52.037 0.377 0.000 0.636 151 A CB -1.394 17.808 19.000 0.336 0.000 0.810 151 A HN 0.691 nan 8.150 nan 0.000 0.448 152 G N -1.749 107.202 108.800 0.252 0.000 2.402 152 G HA2 -0.217 3.744 3.960 0.002 0.000 0.216 152 G HA3 -0.217 3.744 3.960 0.002 0.000 0.216 152 G C 1.510 176.565 174.900 0.258 0.000 1.162 152 G CA 1.136 46.361 45.100 0.208 0.000 0.777 152 G HN 0.591 nan 8.290 nan 0.000 0.539 153 Y N 1.469 121.885 120.300 0.193 0.000 2.097 153 Y HA -0.193 4.358 4.550 0.002 0.000 0.282 153 Y C 2.829 178.902 175.900 0.287 0.000 1.152 153 Y CA 1.946 60.169 58.100 0.205 0.000 1.136 153 Y CB -0.435 38.125 38.460 0.166 0.000 0.975 153 Y HN 0.031 nan 8.280 nan 0.000 0.498 154 V N 1.207 121.341 119.914 0.367 0.000 2.332 154 V HA -0.343 3.778 4.120 0.002 0.000 0.248 154 V C 2.554 178.941 176.094 0.488 0.000 1.055 154 V CA 2.409 64.957 62.300 0.413 0.000 1.038 154 V CB -0.856 31.231 31.823 0.440 0.000 0.651 154 V HN 0.409 nan 8.190 nan 0.000 0.450 155 R N -0.346 120.405 120.500 0.419 0.000 2.066 155 R HA -0.157 4.184 4.340 0.002 0.000 0.232 155 R C 2.435 178.880 176.300 0.242 0.000 1.131 155 R CA 2.071 58.389 56.100 0.363 0.000 0.955 155 R CB -0.534 29.905 30.300 0.231 0.000 0.851 155 R HN 0.492 nan 8.270 nan 0.000 0.432 156 T N 0.774 115.420 114.554 0.154 0.000 2.674 156 T HA -0.178 4.173 4.350 0.002 0.000 0.265 156 T C 1.314 176.011 174.700 -0.005 0.000 1.039 156 T CA 1.640 63.778 62.100 0.063 0.000 1.150 156 T CB -0.399 68.497 68.868 0.046 0.000 0.864 156 T HN 0.300 nan 8.240 nan 0.000 0.427 157 F N 1.154 120.980 119.950 -0.206 0.000 2.043 157 F HA -0.156 4.372 4.527 0.002 0.000 0.297 157 F C 1.758 177.445 175.800 -0.187 0.000 1.121 157 F CA 1.479 59.288 58.000 -0.320 0.000 1.199 157 F CB -0.593 38.047 39.000 -0.601 0.000 0.968 157 F HN 0.117 nan 8.300 nan 0.000 0.478 158 F N 0.522 120.534 119.950 0.104 0.000 2.333 158 F HA -0.184 4.344 4.527 0.002 0.000 0.300 158 F C 2.455 178.243 175.800 -0.021 0.000 1.083 158 F CA 1.165 59.222 58.000 0.096 0.000 1.395 158 F CB -0.715 38.429 39.000 0.241 0.000 1.056 158 F HN 0.106 nan 8.300 nan 0.000 0.529 159 Q N -0.104 119.748 119.800 0.087 0.000 2.224 159 Q HA -0.142 4.199 4.340 0.002 0.000 0.203 159 Q C 2.371 178.321 176.000 -0.083 0.000 0.970 159 Q CA 0.821 56.645 55.803 0.034 0.000 0.865 159 Q CB -0.387 28.373 28.738 0.038 0.000 0.922 159 Q HN 0.395 nan 8.270 nan 0.000 0.445 160 R N 0.182 120.548 120.500 -0.223 0.000 2.148 160 R HA -0.024 4.317 4.340 0.002 0.000 0.227 160 R C 1.417 177.544 176.300 -0.288 0.000 1.103 160 R CA 0.624 56.526 56.100 -0.330 0.000 0.983 160 R CB 0.100 30.145 30.300 -0.426 0.000 0.874 160 R HN 0.202 nan 8.270 nan 0.000 0.451 161 L N 0.196 121.361 121.223 -0.097 0.000 2.700 161 L HA 0.149 4.490 4.340 0.002 0.000 0.234 161 L C 0.068 177.136 176.870 0.330 0.000 1.156 161 L CA -0.162 54.816 54.840 0.230 0.000 0.946 161 L CB 0.008 42.233 42.059 0.276 0.000 1.216 161 L HN 0.215 nan 8.230 nan 0.000 0.493 162 N N 0.120 118.927 118.700 0.177 0.000 2.776 162 N HA -0.156 4.585 4.740 0.002 0.000 0.250 162 N C -0.310 175.299 175.510 0.165 0.000 1.112 162 N CA 0.770 53.923 53.050 0.171 0.000 0.733 162 N CB -0.370 38.278 38.487 0.269 0.000 1.097 162 N HN 0.103 nan 8.380 nan 0.000 0.558 163 M N 0.512 120.234 119.600 0.203 0.000 2.300 163 M HA 0.341 4.822 4.480 0.002 0.000 0.348 163 M C 0.784 177.174 176.300 0.150 0.000 1.151 163 M CA -0.615 54.792 55.300 0.178 0.000 1.046 163 M CB 1.284 34.026 32.600 0.235 0.000 1.647 163 M HN 0.266 nan 8.290 nan 0.000 0.451 164 N N 1.128 119.891 118.700 0.104 0.000 2.538 164 N HA 0.237 4.979 4.740 0.002 0.000 0.292 164 N C 0.100 175.682 175.510 0.120 0.000 1.262 164 N CA -0.372 52.739 53.050 0.103 0.000 0.976 164 N CB 0.344 38.877 38.487 0.076 0.000 1.161 164 N HN 0.353 nan 8.380 nan 0.000 0.598 165 D N -0.330 120.156 120.400 0.143 0.000 2.092 165 D HA -0.182 4.459 4.640 0.002 0.000 0.193 165 D C 1.769 178.181 176.300 0.185 0.000 0.994 165 D CA 1.529 55.675 54.000 0.243 0.000 0.828 165 D CB -0.219 40.676 40.800 0.157 0.000 0.963 165 D HN 0.650 nan 8.370 nan 0.000 0.450 166 R N 0.823 121.396 120.500 0.121 0.000 2.083 166 R HA -0.168 4.173 4.340 0.002 0.000 0.237 166 R C 2.037 178.416 176.300 0.132 0.000 1.137 166 R CA 1.642 57.816 56.100 0.123 0.000 0.951 166 R CB -0.029 30.334 30.300 0.105 0.000 0.851 166 R HN 0.227 nan 8.270 nan 0.000 0.434 167 E N -0.442 119.801 120.200 0.072 0.000 2.077 167 E HA -0.174 4.178 4.350 0.002 0.000 0.193 167 E C 2.035 178.572 176.600 -0.105 0.000 0.989 167 E CA 1.557 57.964 56.400 0.011 0.000 0.800 167 E CB -0.023 29.682 29.700 0.008 0.000 0.746 167 E HN 0.159 nan 8.360 nan 0.000 0.452 168 V N 1.017 120.822 119.914 -0.182 0.000 2.255 168 V HA -0.255 3.866 4.120 0.002 0.000 0.247 168 V C 2.344 178.232 176.094 -0.343 0.000 1.051 168 V CA 1.587 63.589 62.300 -0.497 0.000 1.018 168 V CB -0.406 31.170 31.823 -0.411 0.000 0.641 168 V HN 0.149 nan 8.190 nan 0.000 0.445 169 V N 0.251 120.094 119.914 -0.117 0.000 2.407 169 V HA -0.220 3.901 4.120 0.002 0.000 0.248 169 V C 2.651 178.923 176.094 0.296 0.000 1.055 169 V CA 1.804 64.141 62.300 0.062 0.000 1.049 169 V CB -1.257 30.645 31.823 0.132 0.000 0.662 169 V HN 0.548 nan 8.190 nan 0.000 0.455 170 A N 0.070 123.086 122.820 0.326 0.000 1.858 170 A HA -0.149 4.172 4.320 0.002 0.000 0.216 170 A C 2.241 180.087 177.584 0.438 0.000 1.190 170 A CA 1.796 54.085 52.037 0.421 0.000 0.617 170 A CB -0.605 18.554 19.000 0.264 0.000 0.827 170 A HN 0.473 nan 8.150 nan 0.000 0.443 171 L N -1.844 119.432 121.223 0.088 0.000 2.079 171 L HA -0.201 4.140 4.340 0.002 0.000 0.210 171 L C 2.730 179.487 176.870 -0.189 0.000 1.081 171 L CA 1.685 56.491 54.840 -0.056 0.000 0.752 171 L CB -0.345 41.553 42.059 -0.268 0.000 0.896 171 L HN 0.427 nan 8.230 nan 0.000 0.433 172 M N -0.173 119.219 119.600 -0.347 0.000 2.374 172 M HA -0.035 4.446 4.480 0.002 0.000 0.264 172 M C 1.843 177.467 176.300 -1.127 0.000 1.067 172 M CA 1.100 55.963 55.300 -0.727 0.000 1.103 172 M CB -0.452 31.837 32.600 -0.519 0.000 1.402 172 M HN 0.125 nan 8.290 nan 0.000 0.444 173 G N -0.993 107.428 108.800 -0.632 0.000 2.708 173 G HA2 0.023 3.984 3.960 0.002 0.000 0.210 173 G HA3 0.023 3.984 3.960 0.002 0.000 0.210 173 G C 1.386 175.785 174.900 -0.836 0.000 1.141 173 G CA 0.663 45.179 45.100 -0.973 0.000 0.788 173 G HN 0.587 nan 8.290 nan 0.000 0.531 174 A N -0.103 122.305 122.820 -0.687 0.000 2.168 174 A HA 0.058 4.379 4.320 0.002 0.000 0.215 174 A C 1.701 178.846 177.584 -0.732 0.000 1.152 174 A CA 0.733 52.427 52.037 -0.572 0.000 0.716 174 A CB -0.553 18.284 19.000 -0.272 0.000 0.794 174 A HN 0.580 nan 8.150 nan 0.000 0.465 175 H N -0.978 117.385 119.070 -1.179 0.000 2.563 175 H HA 0.151 4.708 4.556 0.002 0.000 0.272 175 H C 2.127 176.819 175.328 -1.060 0.000 1.005 175 H CA 0.149 55.233 56.048 -1.608 0.000 1.171 175 H CB 0.203 28.600 29.762 -2.275 0.000 1.351 175 H HN 0.588 nan 8.280 nan 0.000 0.602 176 A N 0.677 123.134 122.820 -0.604 0.000 2.066 176 A HA 0.011 4.332 4.320 0.002 0.000 0.218 176 A C 0.858 178.352 177.584 -0.150 0.000 1.157 176 A CA 0.447 52.308 52.037 -0.293 0.000 0.670 176 A CB -0.069 18.695 19.000 -0.394 0.000 0.804 176 A HN 0.200 nan 8.150 nan 0.000 0.453 177 L N -1.112 119.996 121.223 -0.191 0.000 2.325 177 L HA 0.594 4.935 4.340 0.002 0.000 0.279 177 L C 1.222 178.171 176.870 0.132 0.000 1.054 177 L CA 0.058 54.882 54.840 -0.027 0.000 0.804 177 L CB 0.878 42.912 42.059 -0.041 0.000 1.200 177 L HN 0.547 nan 8.230 nan 0.000 0.436 178 G N 2.446 111.349 108.800 0.171 0.000 2.539 178 G HA2 -0.219 3.742 3.960 0.002 0.000 0.256 178 G HA3 -0.219 3.742 3.960 0.002 0.000 0.256 178 G C -0.664 174.409 174.900 0.288 0.000 1.233 178 G CA 0.325 45.562 45.100 0.229 0.000 0.936 178 G HN 1.023 nan 8.290 nan 0.000 0.571 179 K N -2.224 118.310 120.400 0.224 0.000 2.672 179 K HA 0.648 4.969 4.320 0.002 0.000 0.295 179 K C -0.423 175.935 176.600 -0.404 0.000 1.042 179 K CA -0.253 55.918 56.287 -0.193 0.000 0.869 179 K CB 0.760 33.075 32.500 -0.308 0.000 1.541 179 K HN 1.440 nan 8.250 nan 0.000 0.396 180 T N -0.967 113.188 114.554 -0.666 0.000 2.922 180 T HA 0.441 4.792 4.350 0.002 0.000 0.285 180 T C -0.719 173.710 174.700 -0.451 0.000 1.005 180 T CA -0.448 61.419 62.100 -0.389 0.000 1.061 180 T CB 0.445 69.118 68.868 -0.326 0.000 1.007 180 T HN 0.589 nan 8.240 nan 0.000 0.502 181 H N 1.678 120.736 119.070 -0.019 0.000 2.727 181 H HA 0.407 4.964 4.556 0.002 0.000 0.330 181 H C 0.638 175.966 175.328 -0.000 0.000 0.986 181 H CA -0.869 55.168 56.048 -0.018 0.000 1.251 181 H CB 1.499 31.255 29.762 -0.010 0.000 1.493 181 H HN 0.456 nan 8.280 nan 0.000 0.515 182 L N 2.012 123.274 121.223 0.066 0.000 2.021 182 L HA -0.245 4.096 4.340 0.002 0.000 0.215 182 L C 1.828 178.717 176.870 0.031 0.000 1.074 182 L CA 1.817 56.669 54.840 0.020 0.000 0.760 182 L CB -0.115 41.933 42.059 -0.018 0.000 0.889 182 L HN 0.494 nan 8.230 nan 0.000 0.433 183 K N -0.403 120.026 120.400 0.050 0.000 2.097 183 K HA -0.102 4.219 4.320 0.002 0.000 0.206 183 K C 1.915 178.540 176.600 0.041 0.000 1.049 183 K CA 1.275 57.581 56.287 0.033 0.000 0.933 183 K CB -0.766 31.749 32.500 0.025 0.000 0.717 183 K HN 0.434 nan 8.250 nan 0.000 0.442 184 N N 0.212 118.956 118.700 0.074 0.000 2.132 184 N HA -0.075 4.666 4.740 0.002 0.000 0.187 184 N C 1.662 177.231 175.510 0.099 0.000 1.038 184 N CA 1.846 54.940 53.050 0.075 0.000 0.846 184 N CB -0.233 38.309 38.487 0.090 0.000 1.012 184 N HN 0.243 nan 8.380 nan 0.000 0.429 185 S N -2.033 113.753 115.700 0.142 0.000 2.540 185 S HA 0.384 4.855 4.470 0.002 0.000 0.222 185 S C 1.203 175.877 174.600 0.124 0.000 1.008 185 S CA 0.329 58.643 58.200 0.190 0.000 0.939 185 S CB 0.877 64.262 63.200 0.309 0.000 0.865 185 S HN 0.444 nan 8.310 nan 0.000 0.499 186 G N 0.409 109.210 108.800 0.001 0.000 2.137 186 G HA2 -0.233 3.728 3.960 0.002 0.000 0.237 186 G HA3 -0.233 3.728 3.960 0.002 0.000 0.237 186 G C -0.319 174.310 174.900 -0.452 0.000 1.002 186 G CA 0.262 45.236 45.100 -0.210 0.000 0.702 186 G HN 0.568 nan 8.290 nan 0.000 0.515 187 Y N -0.958 119.324 120.300 -0.031 0.000 2.512 187 Y HA 0.717 5.268 4.550 0.002 0.000 0.348 187 Y C 0.011 175.839 175.900 -0.120 0.000 0.990 187 Y CA -1.205 56.849 58.100 -0.078 0.000 1.033 187 Y CB 2.297 40.704 38.460 -0.089 0.000 1.259 187 Y HN 0.111 nan 8.280 nan 0.000 0.461 188 E N 0.888 121.089 120.200 0.002 0.000 2.275 188 E HA 0.709 5.060 4.350 0.002 0.000 0.270 188 E C -0.617 175.892 176.600 -0.150 0.000 0.882 188 E CA -0.274 56.069 56.400 -0.094 0.000 0.758 188 E CB 1.916 31.574 29.700 -0.070 0.000 1.195 188 E HN 0.918 nan 8.360 nan 0.000 0.419 189 G N 3.854 112.515 108.800 -0.233 0.000 2.484 189 G HA2 0.051 4.012 3.960 0.002 0.000 0.685 189 G HA3 0.051 4.012 3.960 0.002 0.000 0.685 189 G C -3.012 171.658 174.900 -0.383 0.000 1.294 189 G CA -0.504 44.463 45.100 -0.223 0.000 0.879 189 G HN 0.480 nan 8.290 nan 0.000 0.646 190 P HA 0.316 nan 4.420 nan 0.000 0.278 190 P C 0.363 177.577 177.300 -0.143 0.000 1.266 190 P CA -0.551 62.443 63.100 -0.177 0.000 0.807 190 P CB 1.034 32.745 31.700 0.018 0.000 1.094 191 W N -0.159 121.132 121.300 -0.015 0.000 2.942 191 W HA 0.227 4.888 4.660 0.001 0.000 0.263 191 W C 0.963 177.335 176.519 -0.245 0.000 1.296 191 W CA 0.674 58.020 57.345 0.002 0.000 1.504 191 W CB 0.476 29.969 29.460 0.054 0.000 1.096 191 W HN 0.507 nan 8.180 nan 0.000 0.639 192 G N -1.431 107.219 108.800 -0.249 0.000 2.570 192 G HA2 0.408 4.369 3.960 0.002 0.000 0.310 192 G HA3 0.408 4.369 3.960 0.002 0.000 0.310 192 G C 0.017 174.653 174.900 -0.441 0.000 1.266 192 G CA 0.081 44.669 45.100 -0.853 0.000 0.825 192 G HN -0.130 nan 8.290 nan 0.000 0.483 193 A N -0.937 121.729 122.820 -0.257 0.000 1.924 193 A HA 0.640 4.961 4.320 0.002 0.000 0.211 193 A C 1.714 179.314 177.584 0.027 0.000 1.198 193 A CA 1.805 53.856 52.037 0.022 0.000 0.657 193 A CB -0.387 18.680 19.000 0.111 0.000 0.852 193 A HN 1.873 nan 8.150 nan 0.000 0.454 194 A N 1.395 124.217 122.820 0.003 0.000 3.094 194 A HA 0.374 4.695 4.320 0.002 0.000 0.288 194 A C 0.341 177.936 177.584 0.019 0.000 1.519 194 A CA -0.073 51.978 52.037 0.024 0.000 1.227 194 A CB -1.482 17.533 19.000 0.024 0.000 1.175 194 A HN 0.711 nan 8.150 nan 0.000 0.568 195 N N 0.333 119.054 118.700 0.036 0.000 2.362 195 N HA -0.045 4.696 4.740 0.002 0.000 0.204 195 N C 0.357 175.901 175.510 0.056 0.000 1.166 195 N CA 0.326 53.404 53.050 0.047 0.000 0.831 195 N CB 0.089 38.623 38.487 0.078 0.000 1.008 195 N HN 0.474 nan 8.380 nan 0.000 0.472 196 N N -0.415 118.319 118.700 0.058 0.000 2.307 196 N HA 0.079 4.820 4.740 0.002 0.000 0.248 196 N C -1.329 174.225 175.510 0.074 0.000 1.322 196 N CA -0.375 52.716 53.050 0.069 0.000 0.861 196 N CB 0.442 38.976 38.487 0.078 0.000 1.303 196 N HN -0.016 nan 8.380 nan 0.000 0.498 197 V N 0.980 120.936 119.914 0.071 0.000 2.588 197 V HA 0.453 4.574 4.120 0.002 0.000 0.304 197 V C -1.067 175.088 176.094 0.102 0.000 1.042 197 V CA -0.952 61.407 62.300 0.098 0.000 0.877 197 V CB 1.764 33.642 31.823 0.091 0.000 0.996 197 V HN 0.141 nan 8.190 nan 0.000 0.425 198 F N 5.002 124.946 119.950 -0.009 0.000 2.404 198 F HA 0.593 5.121 4.527 0.002 0.000 0.359 198 F C 0.674 176.576 175.800 0.170 0.000 1.134 198 F CA 0.407 58.381 58.000 -0.043 0.000 1.160 198 F CB 0.648 39.502 39.000 -0.243 0.000 1.186 198 F HN 0.752 nan 8.300 nan 0.000 0.526 199 T N 0.886 115.433 114.554 -0.011 0.000 2.696 199 T HA 0.260 4.611 4.350 0.002 0.000 0.291 199 T C 0.200 174.966 174.700 0.109 0.000 1.095 199 T CA -0.655 61.565 62.100 0.199 0.000 1.026 199 T CB 1.187 70.115 68.868 0.099 0.000 1.390 199 T HN 0.589 nan 8.240 nan 0.000 0.513 200 N N -0.686 118.099 118.700 0.141 0.000 2.322 200 N HA 0.096 4.837 4.740 0.002 0.000 0.216 200 N C 1.190 176.696 175.510 -0.006 0.000 1.144 200 N CA -0.345 52.733 53.050 0.046 0.000 0.830 200 N CB 0.174 38.741 38.487 0.133 0.000 1.034 200 N HN 0.713 nan 8.380 nan 0.000 0.484 201 E N 0.830 120.998 120.200 -0.053 0.000 2.147 201 E HA -0.283 4.068 4.350 0.002 0.000 0.199 201 E C 1.234 177.783 176.600 -0.085 0.000 1.005 201 E CA 1.215 57.581 56.400 -0.057 0.000 0.810 201 E CB -0.149 29.506 29.700 -0.075 0.000 0.736 201 E HN 0.565 nan 8.360 nan 0.000 0.460 202 F N 0.429 120.147 119.950 -0.386 0.000 2.091 202 F HA -0.311 4.217 4.527 0.002 0.000 0.299 202 F C 1.701 177.262 175.800 -0.399 0.000 1.103 202 F CA 1.953 59.657 58.000 -0.493 0.000 1.228 202 F CB -0.558 37.939 39.000 -0.838 0.000 0.984 202 F HN 0.096 nan 8.300 nan 0.000 0.477 203 Y N 0.232 120.431 120.300 -0.169 0.000 2.200 203 Y HA -0.163 4.388 4.550 0.002 0.000 0.290 203 Y C 2.384 178.187 175.900 -0.162 0.000 1.137 203 Y CA 1.422 59.384 58.100 -0.230 0.000 1.163 203 Y CB -1.066 37.322 38.460 -0.121 0.000 0.988 203 Y HN 0.084 nan 8.280 nan 0.000 0.518 204 L N -0.277 120.966 121.223 0.033 0.000 2.056 204 L HA -0.223 4.119 4.340 0.002 0.000 0.207 204 L C 2.037 178.939 176.870 0.053 0.000 1.078 204 L CA 1.235 56.098 54.840 0.037 0.000 0.749 204 L CB -0.567 41.514 42.059 0.037 0.000 0.901 204 L HN 0.217 nan 8.230 nan 0.000 0.433 205 N N 0.240 118.969 118.700 0.049 0.000 2.084 205 N HA -0.171 4.570 4.740 0.002 0.000 0.190 205 N C 1.926 177.684 175.510 0.413 0.000 1.030 205 N CA 1.110 54.290 53.050 0.217 0.000 0.849 205 N CB -0.425 38.197 38.487 0.224 0.000 1.012 205 N HN 0.221 nan 8.380 nan 0.000 0.423 206 L N 0.576 121.853 121.223 0.089 0.000 1.990 206 L HA -0.184 4.157 4.340 0.002 0.000 0.213 206 L C 2.079 179.066 176.870 0.194 0.000 1.072 206 L CA 1.280 56.119 54.840 -0.002 0.000 0.755 206 L CB -0.346 41.447 42.059 -0.442 0.000 0.889 206 L HN 0.188 nan 8.230 nan 0.000 0.432 207 L N -0.919 120.351 121.223 0.078 0.000 2.044 207 L HA -0.208 4.133 4.340 0.002 0.000 0.205 207 L C 1.890 178.818 176.870 0.097 0.000 1.075 207 L CA 1.767 56.646 54.840 0.064 0.000 0.747 207 L CB -0.565 41.505 42.059 0.019 0.000 0.903 207 L HN 0.384 nan 8.230 nan 0.000 0.435 208 N N -1.283 117.469 118.700 0.087 0.000 2.463 208 N HA -0.019 4.722 4.740 0.002 0.000 0.181 208 N C 0.216 175.699 175.510 -0.046 0.000 1.078 208 N CA -0.006 53.062 53.050 0.030 0.000 0.902 208 N CB 0.363 38.864 38.487 0.022 0.000 0.970 208 N HN 0.267 nan 8.380 nan 0.000 0.451 209 E N 1.022 121.147 120.200 -0.125 0.000 2.283 209 E HA 0.060 4.411 4.350 0.002 0.000 0.267 209 E C -0.871 175.386 176.600 -0.571 0.000 1.045 209 E CA -0.209 55.869 56.400 -0.535 0.000 0.884 209 E CB 1.027 30.041 29.700 -1.144 0.000 1.106 209 E HN 0.021 nan 8.360 nan 0.000 0.408 210 D N 1.699 121.799 120.400 -0.500 0.000 2.479 210 D HA 0.126 4.767 4.640 0.002 0.000 0.218 210 D C -1.106 175.059 176.300 -0.225 0.000 1.131 210 D CA -0.446 53.419 54.000 -0.225 0.000 0.916 210 D CB -0.114 40.605 40.800 -0.135 0.000 1.022 210 D HN 0.178 nan 8.370 nan 0.000 0.515 211 W N 4.096 125.486 121.300 0.150 0.000 2.287 211 W HA 0.341 5.002 4.660 0.002 0.000 0.313 211 W C 0.626 177.325 176.519 0.299 0.000 1.267 211 W CA -0.805 56.676 57.345 0.228 0.000 1.201 211 W CB 0.942 30.549 29.460 0.245 0.000 1.196 211 W HN -0.077 nan 8.180 nan 0.000 0.536 212 K N 4.316 124.991 120.400 0.459 0.000 2.358 212 K HA 0.332 4.653 4.320 0.002 0.000 0.260 212 K C -1.008 175.600 176.600 0.013 0.000 0.956 212 K CA -1.328 55.093 56.287 0.224 0.000 0.834 212 K CB 2.170 34.722 32.500 0.088 0.000 1.102 212 K HN 0.394 nan 8.250 nan 0.000 0.431 213 L N 3.321 124.335 121.223 -0.348 0.000 2.410 213 L HA 0.118 4.459 4.340 0.002 0.000 0.273 213 L C -0.305 176.315 176.870 -0.416 0.000 1.144 213 L CA 1.019 55.335 54.840 -0.873 0.000 0.863 213 L CB 0.127 41.369 42.059 -1.361 0.000 1.140 213 L HN 0.595 nan 8.230 nan 0.000 0.463 214 E N 3.670 123.658 120.200 -0.353 0.000 2.433 214 E HA 0.437 4.788 4.350 0.002 0.000 0.278 214 E C -1.370 175.120 176.600 -0.184 0.000 0.976 214 E CA -1.160 55.117 56.400 -0.204 0.000 0.793 214 E CB 1.568 31.195 29.700 -0.122 0.000 1.311 214 E HN 0.391 nan 8.360 nan 0.000 0.460 215 K N 1.318 121.635 120.400 -0.137 0.000 2.130 215 K HA 0.275 4.596 4.320 0.002 0.000 0.268 215 K C -0.283 176.256 176.600 -0.102 0.000 0.983 215 K CA -0.626 55.588 56.287 -0.121 0.000 0.893 215 K CB 0.771 33.207 32.500 -0.107 0.000 1.066 215 K HN 0.459 nan 8.250 nan 0.000 0.450 216 N N 0.193 118.826 118.700 -0.111 0.000 2.491 216 N HA 0.116 4.857 4.740 0.002 0.000 0.279 216 N C -0.053 175.396 175.510 -0.102 0.000 1.236 216 N CA -0.509 52.480 53.050 -0.101 0.000 0.982 216 N CB 0.436 38.858 38.487 -0.109 0.000 1.194 216 N HN 0.347 nan 8.380 nan 0.000 0.582 217 D N -0.971 119.376 120.400 -0.088 0.000 2.351 217 D HA -0.056 4.585 4.640 0.002 0.000 0.216 217 D C 0.872 177.118 176.300 -0.090 0.000 0.968 217 D CA 1.001 54.955 54.000 -0.077 0.000 0.899 217 D CB -0.255 40.510 40.800 -0.059 0.000 0.907 217 D HN 0.681 nan 8.370 nan 0.000 0.514 218 A N 0.442 123.187 122.820 -0.125 0.000 2.308 218 A HA 0.069 4.390 4.320 0.002 0.000 0.217 218 A C 0.896 178.394 177.584 -0.144 0.000 1.216 218 A CA 0.236 52.189 52.037 -0.139 0.000 0.864 218 A CB -0.273 18.616 19.000 -0.185 0.000 0.902 218 A HN 0.180 nan 8.150 nan 0.000 0.499 219 N N -0.449 118.169 118.700 -0.136 0.000 2.815 219 N HA -0.128 4.613 4.740 0.002 0.000 0.249 219 N C -1.244 174.182 175.510 -0.141 0.000 1.114 219 N CA 0.841 53.821 53.050 -0.118 0.000 0.717 219 N CB -1.621 36.813 38.487 -0.088 0.000 1.074 219 N HN 0.521 nan 8.380 nan 0.000 0.555 220 N N 0.706 119.286 118.700 -0.199 0.000 2.319 220 N HA 0.277 5.018 4.740 0.002 0.000 0.305 220 N C -0.818 174.600 175.510 -0.153 0.000 1.103 220 N CA -0.422 52.491 53.050 -0.229 0.000 0.815 220 N CB 1.082 39.259 38.487 -0.516 0.000 1.288 220 N HN 0.241 nan 8.380 nan 0.000 0.493 221 E N 1.072 121.227 120.200 -0.075 0.000 2.283 221 E HA 0.200 4.551 4.350 0.002 0.000 0.278 221 E C -0.306 176.299 176.600 0.008 0.000 1.027 221 E CA -0.385 55.958 56.400 -0.095 0.000 0.843 221 E CB 1.141 30.750 29.700 -0.151 0.000 1.062 221 E HN 0.472 nan 8.360 nan 0.000 0.401 222 Q N 1.547 121.287 119.800 -0.100 0.000 2.456 222 Q HA 0.394 4.735 4.340 0.002 0.000 0.284 222 Q C -1.426 174.444 176.000 -0.216 0.000 1.061 222 Q CA -1.044 54.744 55.803 -0.025 0.000 0.799 222 Q CB 1.060 29.884 28.738 0.144 0.000 1.445 222 Q HN 0.409 nan 8.270 nan 0.000 0.411 223 W N 1.605 122.866 121.300 -0.066 0.000 2.335 223 W HA 0.379 5.040 4.660 0.002 0.000 0.306 223 W C -0.672 175.963 176.519 0.194 0.000 1.216 223 W CA 0.155 57.471 57.345 -0.047 0.000 1.237 223 W CB 1.033 30.299 29.460 -0.323 0.000 1.243 223 W HN 0.444 nan 8.180 nan 0.000 0.493 224 D N 1.729 122.370 120.400 0.403 0.000 2.256 224 D HA 0.332 4.973 4.640 0.002 0.000 0.246 224 D C -0.275 176.197 176.300 0.286 0.000 1.042 224 D CA -0.400 53.791 54.000 0.317 0.000 0.841 224 D CB 1.977 42.842 40.800 0.109 0.000 1.223 224 D HN 0.217 nan 8.370 nan 0.000 0.470 225 S N -0.219 115.538 115.700 0.094 0.000 2.664 225 S HA 0.339 4.810 4.470 0.002 0.000 0.304 225 S C 0.983 175.440 174.600 -0.238 0.000 1.099 225 S CA -0.631 57.402 58.200 -0.277 0.000 1.003 225 S CB 1.838 64.552 63.200 -0.810 0.000 1.092 225 S HN 0.198 nan 8.310 nan 0.000 0.525 226 K N 0.809 121.049 120.400 -0.267 0.000 2.365 226 K HA 0.110 4.431 4.320 0.002 0.000 0.199 226 K C 1.774 178.205 176.600 -0.281 0.000 1.045 226 K CA 1.196 57.354 56.287 -0.215 0.000 0.962 226 K CB -1.578 30.820 32.500 -0.170 0.000 0.759 226 K HN 0.570 nan 8.250 nan 0.000 0.469 227 S N 0.165 115.597 115.700 -0.447 0.000 2.515 227 S HA 0.243 4.714 4.470 0.002 0.000 0.231 227 S C 1.533 175.734 174.600 -0.666 0.000 0.987 227 S CA 0.697 58.520 58.200 -0.628 0.000 0.936 227 S CB -0.177 62.399 63.200 -1.041 0.000 0.766 227 S HN 0.940 nan 8.310 nan 0.000 0.528 228 G N 0.268 108.791 108.800 -0.463 0.000 2.144 228 G HA2 -0.209 3.752 3.960 0.002 0.000 0.218 228 G HA3 -0.209 3.752 3.960 0.002 0.000 0.218 228 G C -0.214 174.641 174.900 -0.076 0.000 0.988 228 G CA -0.297 44.665 45.100 -0.231 0.000 0.659 228 G HN 0.395 nan 8.290 nan 0.000 0.522 229 Y N -0.255 120.060 120.300 0.024 0.000 2.458 229 Y HA 0.854 5.405 4.550 0.002 0.000 0.322 229 Y C 0.606 176.652 175.900 0.245 0.000 1.259 229 Y CA -1.347 56.828 58.100 0.126 0.000 1.302 229 Y CB 1.006 39.606 38.460 0.233 0.000 1.314 229 Y HN 0.412 nan 8.280 nan 0.000 0.509 230 M N 0.753 120.592 119.600 0.399 0.000 2.593 230 M HA 0.803 5.284 4.480 0.002 0.000 0.290 230 M C -1.599 174.736 176.300 0.059 0.000 1.244 230 M CA -0.906 54.540 55.300 0.242 0.000 0.857 230 M CB 2.460 35.057 32.600 -0.004 0.000 1.738 230 M HN 0.320 nan 8.290 nan 0.000 0.461 231 M N 2.458 122.052 119.600 -0.010 0.000 2.386 231 M HA 0.566 5.047 4.480 0.002 0.000 0.293 231 M C -1.434 174.913 176.300 0.078 0.000 1.120 231 M CA -0.392 54.879 55.300 -0.048 0.000 0.909 231 M CB 2.247 34.586 32.600 -0.435 0.000 1.661 231 M HN 0.904 nan 8.290 nan 0.000 0.452 232 L N 3.115 124.403 121.223 0.110 0.000 2.439 232 L HA 0.274 4.615 4.340 0.002 0.000 0.261 232 L C -1.344 175.644 176.870 0.195 0.000 1.153 232 L CA -1.539 53.307 54.840 0.010 0.000 0.808 232 L CB 0.185 42.173 42.059 -0.118 0.000 1.126 232 L HN 0.431 nan 8.230 nan 0.000 0.460 233 P HA -0.194 nan 4.420 nan 0.000 0.216 233 P C 1.509 178.959 177.300 0.251 0.000 1.153 233 P CA 1.723 65.024 63.100 0.336 0.000 0.858 233 P CB -0.055 31.794 31.700 0.249 0.000 0.789 234 T N -3.761 110.901 114.554 0.180 0.000 2.833 234 T HA -0.158 4.193 4.350 0.002 0.000 0.269 234 T C 1.451 176.250 174.700 0.165 0.000 1.054 234 T CA 1.415 63.625 62.100 0.183 0.000 1.135 234 T CB -1.008 67.972 68.868 0.186 0.000 0.869 234 T HN 0.045 nan 8.240 nan 0.000 0.466 235 D N 0.275 120.788 120.400 0.188 0.000 2.084 235 D HA -0.048 4.593 4.640 0.002 0.000 0.196 235 D C 1.795 178.097 176.300 0.004 0.000 0.985 235 D CA 1.091 55.214 54.000 0.203 0.000 0.826 235 D CB -0.653 40.331 40.800 0.307 0.000 0.978 235 D HN 0.395 nan 8.370 nan 0.000 0.456 236 Y N 2.074 122.257 120.300 -0.195 0.000 2.151 236 Y HA -0.279 4.272 4.550 0.002 0.000 0.284 236 Y C 2.537 178.293 175.900 -0.241 0.000 1.166 236 Y CA 1.871 59.715 58.100 -0.428 0.000 1.163 236 Y CB -0.453 37.552 38.460 -0.759 0.000 0.974 236 Y HN -0.025 nan 8.280 nan 0.000 0.511 237 S N -0.420 115.279 115.700 -0.002 0.000 2.465 237 S HA -0.177 4.294 4.470 0.002 0.000 0.241 237 S C 1.851 176.469 174.600 0.031 0.000 1.000 237 S CA 1.275 59.502 58.200 0.046 0.000 0.964 237 S CB -0.928 62.377 63.200 0.177 0.000 0.763 237 S HN 0.548 nan 8.310 nan 0.000 0.512 238 L N 0.980 122.168 121.223 -0.058 0.000 2.275 238 L HA 0.084 4.425 4.340 0.002 0.000 0.215 238 L C 2.317 179.160 176.870 -0.046 0.000 1.119 238 L CA 1.226 56.048 54.840 -0.029 0.000 0.790 238 L CB -0.618 41.391 42.059 -0.082 0.000 0.919 238 L HN 0.564 nan 8.230 nan 0.000 0.443 239 I N -4.658 115.766 120.570 -0.242 0.000 3.941 239 I HA -0.006 4.165 4.170 0.002 0.000 0.321 239 I C 1.880 177.856 176.117 -0.235 0.000 1.284 239 I CA 0.263 61.397 61.300 -0.278 0.000 1.226 239 I CB -0.064 37.681 38.000 -0.425 0.000 1.045 239 I HN 0.163 nan 8.210 nan 0.000 0.420 240 Q N 1.306 120.990 119.800 -0.193 0.000 2.212 240 Q HA 0.057 4.398 4.340 0.002 0.000 0.199 240 Q C 0.543 176.532 176.000 -0.019 0.000 0.950 240 Q CA 0.615 56.363 55.803 -0.092 0.000 0.863 240 Q CB 0.203 28.922 28.738 -0.032 0.000 0.944 240 Q HN 0.510 nan 8.270 nan 0.000 0.465 241 D N 0.900 121.315 120.400 0.026 0.000 2.249 241 D HA 0.046 4.687 4.640 0.002 0.000 0.246 241 D C -1.763 174.519 176.300 -0.031 0.000 1.114 241 D CA -2.137 51.860 54.000 -0.006 0.000 0.854 241 D CB 1.717 42.497 40.800 -0.032 0.000 1.132 241 D HN -0.100 nan 8.370 nan 0.000 0.461 242 P HA -0.134 nan 4.420 nan 0.000 0.217 242 P C 0.919 178.180 177.300 -0.065 0.000 1.150 242 P CA 1.179 64.246 63.100 -0.055 0.000 0.832 242 P CB 0.562 32.231 31.700 -0.051 0.000 0.787 243 K N -1.272 119.058 120.400 -0.117 0.000 2.057 243 K HA -0.127 4.194 4.320 0.002 0.000 0.206 243 K C 2.407 178.987 176.600 -0.034 0.000 1.050 243 K CA 1.262 57.479 56.287 -0.117 0.000 0.935 243 K CB -0.695 31.687 32.500 -0.197 0.000 0.715 243 K HN 0.061 nan 8.250 nan 0.000 0.439 244 Y N 0.850 121.129 120.300 -0.035 0.000 2.145 244 Y HA -0.186 4.365 4.550 0.002 0.000 0.286 244 Y C 2.148 178.006 175.900 -0.069 0.000 1.145 244 Y CA 0.575 58.652 58.100 -0.038 0.000 1.148 244 Y CB -0.941 37.511 38.460 -0.013 0.000 0.981 244 Y HN 0.002 nan 8.280 nan 0.000 0.507 245 L N 0.314 121.586 121.223 0.081 0.000 2.081 245 L HA -0.230 4.111 4.340 0.002 0.000 0.212 245 L C 2.368 179.208 176.870 -0.050 0.000 1.080 245 L CA 2.365 57.199 54.840 -0.010 0.000 0.754 245 L CB -1.084 40.951 42.059 -0.040 0.000 0.893 245 L HN 0.275 nan 8.230 nan 0.000 0.433 246 S N -0.968 114.700 115.700 -0.054 0.000 2.402 246 S HA -0.111 4.360 4.470 0.002 0.000 0.229 246 S C 1.995 176.500 174.600 -0.158 0.000 1.021 246 S CA 1.354 59.499 58.200 -0.090 0.000 0.974 246 S CB -0.927 62.227 63.200 -0.077 0.000 0.800 246 S HN 0.565 nan 8.310 nan 0.000 0.484 247 I N 1.436 121.904 120.570 -0.170 0.000 2.286 247 I HA -0.086 4.085 4.170 0.002 0.000 0.245 247 I C 2.417 178.243 176.117 -0.485 0.000 1.104 247 I CA 0.668 61.746 61.300 -0.370 0.000 1.397 247 I CB -0.672 37.169 38.000 -0.265 0.000 1.072 247 I HN 0.152 nan 8.210 nan 0.000 0.417 248 V N 1.389 121.170 119.914 -0.221 0.000 2.282 248 V HA -0.344 3.777 4.120 0.002 0.000 0.249 248 V C 2.525 178.498 176.094 -0.203 0.000 1.057 248 V CA 2.028 64.243 62.300 -0.142 0.000 1.032 248 V CB -0.762 31.068 31.823 0.012 0.000 0.645 248 V HN 0.407 nan 8.190 nan 0.000 0.447 249 K N -0.434 119.867 120.400 -0.164 0.000 2.063 249 K HA -0.257 4.064 4.320 0.002 0.000 0.208 249 K C 2.255 178.761 176.600 -0.156 0.000 1.048 249 K CA 1.855 58.067 56.287 -0.125 0.000 0.928 249 K CB -0.238 32.203 32.500 -0.097 0.000 0.713 249 K HN 0.549 nan 8.250 nan 0.000 0.442 250 E N -0.078 119.968 120.200 -0.256 0.000 2.085 250 E HA -0.206 4.145 4.350 0.002 0.000 0.194 250 E C 1.710 178.223 176.600 -0.146 0.000 0.994 250 E CA 1.268 57.524 56.400 -0.241 0.000 0.801 250 E CB 0.045 29.517 29.700 -0.380 0.000 0.743 250 E HN 0.305 nan 8.360 nan 0.000 0.453 251 Y N -0.295 119.839 120.300 -0.278 0.000 2.314 251 Y HA 0.053 4.604 4.550 0.002 0.000 0.293 251 Y C 2.198 177.942 175.900 -0.260 0.000 1.129 251 Y CA 0.612 58.467 58.100 -0.407 0.000 1.201 251 Y CB -0.929 36.865 38.460 -1.111 0.000 0.999 251 Y HN 0.113 nan 8.280 nan 0.000 0.541 252 A N 0.142 122.932 122.820 -0.050 0.000 1.969 252 A HA -0.165 4.156 4.320 0.002 0.000 0.218 252 A C 2.103 179.699 177.584 0.020 0.000 1.169 252 A CA 1.668 53.725 52.037 0.033 0.000 0.635 252 A CB -0.514 18.504 19.000 0.029 0.000 0.810 252 A HN 0.432 nan 8.150 nan 0.000 0.445 253 N N -0.795 117.905 118.700 0.000 0.000 2.415 253 N HA -0.037 4.704 4.740 0.002 0.000 0.176 253 N C -0.644 174.877 175.510 0.019 0.000 1.042 253 N CA 0.707 53.759 53.050 0.003 0.000 0.902 253 N CB 0.293 38.770 38.487 -0.015 0.000 0.986 253 N HN 0.395 nan 8.380 nan 0.000 0.447 254 D N 0.088 120.518 120.400 0.051 0.000 2.386 254 D HA 0.065 4.706 4.640 0.002 0.000 0.247 254 D C 0.585 176.945 176.300 0.100 0.000 1.336 254 D CA -0.297 53.739 54.000 0.061 0.000 0.976 254 D CB 1.206 42.048 40.800 0.070 0.000 1.257 254 D HN -0.089 nan 8.370 nan 0.000 0.570 255 Q N 2.349 122.160 119.800 0.018 0.000 2.170 255 Q HA -0.168 4.173 4.340 0.002 0.000 0.203 255 Q C 0.404 176.302 176.000 -0.171 0.000 0.976 255 Q CA 1.812 57.586 55.803 -0.047 0.000 0.858 255 Q CB 0.316 28.931 28.738 -0.205 0.000 0.907 255 Q HN 0.411 nan 8.270 nan 0.000 0.433 256 D N 0.098 120.419 120.400 -0.131 0.000 2.084 256 D HA -0.174 4.467 4.640 0.002 0.000 0.194 256 D C 1.658 177.998 176.300 0.068 0.000 0.990 256 D CA 1.405 55.359 54.000 -0.076 0.000 0.826 256 D CB -0.100 40.682 40.800 -0.029 0.000 0.971 256 D HN 0.051 nan 8.370 nan 0.000 0.453 257 K N 0.270 120.740 120.400 0.116 0.000 2.044 257 K HA -0.176 4.145 4.320 0.002 0.000 0.210 257 K C 1.913 178.634 176.600 0.203 0.000 1.049 257 K CA 1.088 57.492 56.287 0.195 0.000 0.927 257 K CB -0.928 31.724 32.500 0.253 0.000 0.713 257 K HN 0.202 nan 8.250 nan 0.000 0.443 258 F N 0.101 120.026 119.950 -0.041 0.000 2.134 258 F HA -0.123 4.405 4.527 0.002 0.000 0.299 258 F C 1.717 177.545 175.800 0.047 0.000 1.097 258 F CA 1.299 59.029 58.000 -0.451 0.000 1.264 258 F CB -0.565 38.161 39.000 -0.457 0.000 1.001 258 F HN -0.005 nan 8.300 nan 0.000 0.479 259 F N 1.265 120.986 119.950 -0.382 0.000 2.102 259 F HA -0.128 4.400 4.527 0.002 0.000 0.298 259 F C 2.422 178.107 175.800 -0.192 0.000 1.105 259 F CA 1.582 59.365 58.000 -0.361 0.000 1.239 259 F CB -1.208 37.706 39.000 -0.143 0.000 0.991 259 F HN -0.016 nan 8.300 nan 0.000 0.474 260 K N -0.093 120.365 120.400 0.097 0.000 2.026 260 K HA -0.166 4.155 4.320 0.002 0.000 0.208 260 K C 1.747 178.369 176.600 0.036 0.000 1.048 260 K CA 1.681 58.005 56.287 0.062 0.000 0.929 260 K CB -0.254 32.292 32.500 0.077 0.000 0.713 260 K HN 0.073 nan 8.250 nan 0.000 0.439 261 D N 0.070 120.495 120.400 0.042 0.000 2.117 261 D HA -0.153 4.488 4.640 0.002 0.000 0.198 261 D C 1.586 177.896 176.300 0.017 0.000 0.982 261 D CA 0.834 54.873 54.000 0.065 0.000 0.828 261 D CB -0.206 40.701 40.800 0.178 0.000 0.967 261 D HN 0.070 nan 8.370 nan 0.000 0.464 262 F N 1.120 120.943 119.950 -0.211 0.000 2.102 262 F HA -0.223 4.305 4.527 0.002 0.000 0.298 262 F C 2.551 178.286 175.800 -0.107 0.000 1.105 262 F CA 1.561 59.431 58.000 -0.217 0.000 1.239 262 F CB -0.385 38.305 39.000 -0.516 0.000 0.991 262 F HN -0.137 nan 8.300 nan 0.000 0.474 263 S N 0.126 115.835 115.700 0.015 0.000 2.359 263 S HA -0.302 4.169 4.470 0.002 0.000 0.222 263 S C 2.137 176.706 174.600 -0.051 0.000 1.038 263 S CA 2.130 60.329 58.200 -0.002 0.000 1.051 263 S CB -0.421 62.778 63.200 -0.003 0.000 0.944 263 S HN 0.475 nan 8.310 nan 0.000 0.433 264 K N 0.668 121.039 120.400 -0.048 0.000 2.026 264 K HA -0.011 4.310 4.320 0.002 0.000 0.208 264 K C 2.418 178.972 176.600 -0.076 0.000 1.048 264 K CA 1.284 57.541 56.287 -0.050 0.000 0.929 264 K CB -0.432 32.054 32.500 -0.023 0.000 0.713 264 K HN 0.446 nan 8.250 nan 0.000 0.439 265 A N 0.629 123.386 122.820 -0.106 0.000 1.933 265 A HA -0.164 4.157 4.320 0.002 0.000 0.218 265 A C 1.998 179.499 177.584 -0.138 0.000 1.175 265 A CA 1.139 53.106 52.037 -0.118 0.000 0.628 265 A CB -0.606 18.317 19.000 -0.129 0.000 0.814 265 A HN 0.313 nan 8.150 nan 0.000 0.444 266 F N 0.634 120.302 119.950 -0.470 0.000 2.113 266 F HA -0.087 4.441 4.527 0.002 0.000 0.297 266 F C 2.230 177.929 175.800 -0.169 0.000 1.103 266 F CA 1.862 59.601 58.000 -0.434 0.000 1.248 266 F CB -0.445 38.084 39.000 -0.785 0.000 0.999 266 F HN 0.449 nan 8.300 nan 0.000 0.475 267 E N 0.332 120.432 120.200 -0.167 0.000 2.058 267 E HA -0.303 4.048 4.350 0.002 0.000 0.194 267 E C 2.398 178.896 176.600 -0.171 0.000 0.997 267 E CA 1.633 57.931 56.400 -0.169 0.000 0.801 267 E CB -0.314 29.325 29.700 -0.102 0.000 0.746 267 E HN 0.395 nan 8.360 nan 0.000 0.450 268 K N 0.343 120.665 120.400 -0.130 0.000 2.044 268 K HA -0.233 4.088 4.320 0.002 0.000 0.210 268 K C 2.354 178.878 176.600 -0.126 0.000 1.049 268 K CA 1.606 57.828 56.287 -0.109 0.000 0.927 268 K CB -0.328 32.133 32.500 -0.065 0.000 0.713 268 K HN 0.205 nan 8.250 nan 0.000 0.443 269 L N 1.434 122.595 121.223 -0.104 0.000 2.013 269 L HA -0.176 4.165 4.340 0.002 0.000 0.212 269 L C 1.989 178.787 176.870 -0.120 0.000 1.073 269 L CA 1.657 56.469 54.840 -0.046 0.000 0.753 269 L CB -0.255 41.824 42.059 0.034 0.000 0.890 269 L HN 0.257 nan 8.230 nan 0.000 0.432 270 L N -1.106 119.992 121.223 -0.209 0.000 2.313 270 L HA -0.075 4.267 4.340 0.002 0.000 0.214 270 L C 1.877 178.671 176.870 -0.128 0.000 1.119 270 L CA 0.808 55.545 54.840 -0.171 0.000 0.809 270 L CB -0.372 41.548 42.059 -0.232 0.000 0.933 270 L HN 0.363 nan 8.230 nan 0.000 0.449 271 E N -0.925 119.185 120.200 -0.149 0.000 2.481 271 E HA 0.061 4.412 4.350 0.002 0.000 0.198 271 E C -0.025 176.421 176.600 -0.256 0.000 1.027 271 E CA -0.385 55.959 56.400 -0.093 0.000 0.900 271 E CB 0.347 30.055 29.700 0.013 0.000 0.993 271 E HN 0.327 nan 8.360 nan 0.000 0.482 272 N N 0.781 119.215 118.700 -0.444 0.000 2.412 272 N HA -0.003 4.738 4.740 0.002 0.000 0.254 272 N C 0.965 175.762 175.510 -1.190 0.000 1.232 272 N CA 1.347 53.806 53.050 -0.984 0.000 0.880 272 N CB 1.082 38.756 38.487 -1.356 0.000 1.076 272 N HN 0.324 nan 8.380 nan 0.000 0.458 273 G N 1.099 109.221 108.800 -1.131 0.000 2.179 273 G HA2 -0.248 3.713 3.960 0.002 0.000 0.260 273 G HA3 -0.248 3.713 3.960 0.002 0.000 0.260 273 G C 0.012 174.785 174.900 -0.210 0.000 0.977 273 G CA 0.014 44.868 45.100 -0.409 0.000 0.641 273 G HN 0.550 nan 8.290 nan 0.000 0.533 274 I N 1.163 121.528 120.570 -0.343 0.000 2.474 274 I HA 0.451 4.622 4.170 0.002 0.000 0.294 274 I C -0.007 175.774 176.117 -0.561 0.000 1.005 274 I CA -0.793 60.224 61.300 -0.472 0.000 1.113 274 I CB 2.144 39.804 38.000 -0.567 0.000 1.289 274 I HN -0.037 nan 8.210 nan 0.000 0.436 275 T N 5.737 119.960 114.554 -0.551 0.000 2.749 275 T HA 0.492 4.843 4.350 0.002 0.000 0.287 275 T C -0.578 173.798 174.700 -0.540 0.000 0.970 275 T CA -0.210 61.650 62.100 -0.401 0.000 0.980 275 T CB 0.292 69.024 68.868 -0.225 0.000 0.924 275 T HN 0.130 nan 8.240 nan 0.000 0.456 276 F N 4.918 124.820 119.950 -0.079 0.000 2.361 276 F HA 0.375 4.903 4.527 0.002 0.000 0.364 276 F C -1.592 174.168 175.800 -0.067 0.000 1.117 276 F CA -2.569 55.381 58.000 -0.083 0.000 1.071 276 F CB 0.567 39.493 39.000 -0.123 0.000 1.188 276 F HN 0.348 nan 8.300 nan 0.000 0.464 277 P HA 0.010 nan 4.420 nan 0.000 0.269 277 P C 0.797 178.126 177.300 0.049 0.000 1.217 277 P CA -0.248 62.880 63.100 0.046 0.000 0.783 277 P CB 0.598 32.318 31.700 0.033 0.000 0.898 278 K N 0.236 120.650 120.400 0.022 0.000 2.280 278 K HA -0.128 4.193 4.320 0.002 0.000 0.202 278 K C 0.977 177.576 176.600 -0.003 0.000 1.047 278 K CA 1.811 58.101 56.287 0.005 0.000 0.942 278 K CB -1.380 31.119 32.500 -0.002 0.000 0.739 278 K HN 0.708 nan 8.250 nan 0.000 0.457 279 D N 0.149 120.554 120.400 0.007 0.000 2.348 279 D HA 0.146 4.787 4.640 0.002 0.000 0.211 279 D C 0.751 177.053 176.300 0.003 0.000 0.998 279 D CA 0.431 54.434 54.000 0.005 0.000 0.873 279 D CB -0.214 40.594 40.800 0.013 0.000 0.925 279 D HN 0.522 nan 8.370 nan 0.000 0.524 280 A N 2.431 125.255 122.820 0.008 0.000 2.531 280 A HA 0.297 4.618 4.320 0.002 0.000 0.236 280 A C -1.891 175.645 177.584 -0.081 0.000 1.062 280 A CA -0.756 51.278 52.037 -0.005 0.000 0.760 280 A CB -0.344 18.686 19.000 0.050 0.000 0.995 280 A HN 0.164 nan 8.150 nan 0.000 0.501 281 P HA 0.163 nan 4.420 nan 0.000 0.272 281 P C -0.043 177.051 177.300 -0.342 0.000 1.223 281 P CA -0.216 62.782 63.100 -0.170 0.000 0.784 281 P CB 0.535 32.163 31.700 -0.121 0.000 0.923 282 S N 2.617 118.138 115.700 -0.297 0.000 2.580 282 S HA 0.172 4.643 4.470 0.002 0.000 0.266 282 S C -2.038 172.228 174.600 -0.556 0.000 1.354 282 S CA -0.520 57.470 58.200 -0.350 0.000 1.008 282 S CB -0.980 62.083 63.200 -0.229 0.000 0.898 282 S HN 0.435 nan 8.310 nan 0.000 0.555 283 P HA 0.138 nan 4.420 nan 0.000 0.265 283 P C -0.850 176.219 177.300 -0.385 0.000 1.193 283 P CA 0.155 62.943 63.100 -0.521 0.000 0.765 283 P CB 0.129 31.612 31.700 -0.361 0.000 0.823 284 F N 2.529 122.326 119.950 -0.254 0.000 2.375 284 F HA 0.428 4.956 4.527 0.002 0.000 0.333 284 F C 0.864 176.371 175.800 -0.487 0.000 1.104 284 F CA -0.514 57.257 58.000 -0.381 0.000 1.149 284 F CB 0.252 39.041 39.000 -0.352 0.000 1.190 284 F HN 0.101 nan 8.300 nan 0.000 0.533 285 I N 3.429 123.822 120.570 -0.296 0.000 2.437 285 I HA 0.252 4.424 4.170 0.002 0.000 0.279 285 I C -0.950 175.019 176.117 -0.246 0.000 1.028 285 I CA -0.366 60.786 61.300 -0.246 0.000 1.142 285 I CB 0.415 38.336 38.000 -0.132 0.000 1.266 285 I HN 0.279 nan 8.210 nan 0.000 0.461 286 F N 5.340 125.323 119.950 0.055 0.000 2.418 286 F HA 0.331 4.859 4.527 0.002 0.000 0.341 286 F C 0.989 176.607 175.800 -0.304 0.000 1.120 286 F CA -0.467 57.412 58.000 -0.202 0.000 1.232 286 F CB 0.441 39.036 39.000 -0.675 0.000 1.175 286 F HN 0.257 nan 8.300 nan 0.000 0.569 287 K N 0.938 121.274 120.400 -0.105 0.000 2.118 287 K HA 0.365 4.686 4.320 0.002 0.000 0.264 287 K C 0.214 176.706 176.600 -0.180 0.000 1.000 287 K CA -0.639 55.595 56.287 -0.087 0.000 0.929 287 K CB 0.821 33.314 32.500 -0.011 0.000 1.021 287 K HN 0.739 nan 8.250 nan 0.000 0.463 288 T N -1.610 112.946 114.554 0.002 0.000 2.788 288 T HA 0.191 4.542 4.350 0.002 0.000 0.280 288 T C 1.659 176.441 174.700 0.137 0.000 0.984 288 T CA -0.782 61.408 62.100 0.151 0.000 0.972 288 T CB 0.476 69.428 68.868 0.140 0.000 1.039 288 T HN 0.456 nan 8.240 nan 0.000 0.530 289 L N -0.008 121.326 121.223 0.185 0.000 2.012 289 L HA -0.109 4.232 4.340 0.002 0.000 0.210 289 L C 3.054 179.972 176.870 0.080 0.000 1.073 289 L CA 2.132 57.045 54.840 0.121 0.000 0.748 289 L CB -0.703 41.420 42.059 0.108 0.000 0.891 289 L HN 0.922 nan 8.230 nan 0.000 0.431 290 E N 0.535 120.783 120.200 0.080 0.000 2.097 290 E HA -0.271 4.080 4.350 0.002 0.000 0.196 290 E C 1.894 178.525 176.600 0.052 0.000 1.000 290 E CA 1.640 58.077 56.400 0.062 0.000 0.804 290 E CB 0.060 29.798 29.700 0.063 0.000 0.740 290 E HN 0.510 nan 8.360 nan 0.000 0.454 291 E N -0.307 119.924 120.200 0.052 0.000 2.274 291 E HA -0.149 4.202 4.350 0.002 0.000 0.194 291 E C 1.837 178.459 176.600 0.035 0.000 0.996 291 E CA 0.718 57.142 56.400 0.040 0.000 0.840 291 E CB 0.098 29.819 29.700 0.035 0.000 0.772 291 E HN 0.400 nan 8.360 nan 0.000 0.491 292 Q N -0.624 119.199 119.800 0.039 0.000 2.356 292 Q HA 0.120 4.461 4.340 0.002 0.000 0.205 292 Q C 0.764 176.784 176.000 0.033 0.000 0.901 292 Q CA 0.335 56.158 55.803 0.033 0.000 0.938 292 Q CB 1.062 29.819 28.738 0.032 0.000 1.081 292 Q HN 0.317 nan 8.270 nan 0.000 0.517 293 G N 1.017 109.839 108.800 0.036 0.000 2.198 293 G HA2 -0.231 3.730 3.960 0.002 0.000 0.257 293 G HA3 -0.231 3.730 3.960 0.002 0.000 0.257 293 G C -0.395 174.525 174.900 0.034 0.000 1.042 293 G CA -0.004 45.116 45.100 0.033 0.000 0.791 293 G HN 0.088 nan 8.290 nan 0.000 0.502 294 L N 0.000 121.247 121.223 0.040 0.000 2.949 294 L HA 0.000 4.341 4.340 0.002 0.000 0.249 294 L CA 0.000 54.863 54.840 0.039 0.000 0.813 294 L CB 0.000 42.084 42.059 0.042 0.000 0.961 294 L HN 0.000 nan 8.230 nan 0.000 0.502