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 1h9y_1_A DATA FIRST_RESID 48 DATA SEQUENCE ALSDAQYNEA NKIYFERCAG CHGVLRKGAT GKALTPDLTR DLGFDYLQSF DATA SEQUENCE ITYGSPAGMP NWGTSGELSA EQVDLMANYL LLDPAAPPEF GMKEMRESWK DATA SEQUENCE VHVAPEDRPT QQENDWDLEN LFSVTLRDAG QIALIDGATY EIKSVLDTGY DATA SEQUENCE AVHISRLSAS GRYLFVIGRD GKVNMIDLWM KEPTTVAEIK IGSEARSIET DATA SEQUENCE SKMEGWEDKY AIAGAYWPPQ YVIMDGETLE PKKIQSTRGM TYDEQEYHPE DATA SEQUENCE PRVAAILASH YRPEFIVNVK ETGKILLVDY TDLDNLKTTE ISAERFLHDG DATA SEQUENCE GLDGSHRYFI TAANARNKLV VIDTKEGKLV AIEDTGGQTP HPGRGANFVH DATA SEQUENCE PTFGPVWATS HMGDDSVALI GTDPEGHPDN AWKILDSFPA LGGGSLFIKT DATA SEQUENCE HPNSQYLYVD ATLNPEAEIS GSVAVFDIKA MTGDGSDPEF KTLPIAEWAG DATA SEQUENCE ITEGQPRVVQ GEFNKDGTEV WFSVWNGKDQ ESALVVVDDK TLELKHVIKD DATA SEQUENCE ERLVTPTGKF NVYNTMTDTY 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 48 A HA 0.000 nan 4.320 nan 0.000 0.244 48 A C 0.000 177.587 177.584 0.005 0.000 1.274 48 A CA 0.000 52.028 52.037 -0.015 0.000 0.836 48 A CB 0.000 18.987 19.000 -0.021 0.000 0.831 49 L N 2.565 123.803 121.223 0.025 0.000 2.312 49 L HA 0.683 5.023 4.340 -0.000 0.000 0.281 49 L C 1.183 178.092 176.870 0.065 0.000 1.070 49 L CA 0.601 55.483 54.840 0.070 0.000 0.805 49 L CB 1.590 43.737 42.059 0.148 0.000 1.174 49 L HN 0.985 nan 8.230 nan 0.000 0.434 50 S N 1.730 117.475 115.700 0.075 0.000 2.596 50 S HA 0.112 4.582 4.470 -0.000 0.000 0.260 50 S C 0.714 175.382 174.600 0.115 0.000 1.336 50 S CA -0.378 57.864 58.200 0.069 0.000 0.993 50 S CB 0.511 63.746 63.200 0.058 0.000 0.923 50 S HN 0.649 nan 8.310 nan 0.000 0.567 51 D N 1.323 121.779 120.400 0.094 0.000 2.097 51 D HA -0.038 4.602 4.640 -0.000 0.000 0.195 51 D C 2.279 178.676 176.300 0.161 0.000 0.989 51 D CA 1.897 55.975 54.000 0.130 0.000 0.827 51 D CB -1.023 39.829 40.800 0.086 0.000 0.966 51 D HN 0.691 nan 8.370 nan 0.000 0.456 52 A N 0.897 123.782 122.820 0.109 0.000 1.865 52 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 52 A C 2.146 179.787 177.584 0.095 0.000 1.191 52 A CA 1.763 53.853 52.037 0.089 0.000 0.623 52 A CB -0.783 18.255 19.000 0.062 0.000 0.826 52 A HN 0.237 nan 8.150 nan 0.000 0.444 53 Q N -2.113 117.750 119.800 0.106 0.000 2.096 53 Q HA -0.234 4.106 4.340 -0.000 0.000 0.204 53 Q C 2.058 178.134 176.000 0.126 0.000 0.982 53 Q CA 1.962 57.826 55.803 0.102 0.000 0.850 53 Q CB -0.384 28.421 28.738 0.113 0.000 0.901 53 Q HN 0.816 nan 8.270 nan 0.000 0.422 54 Y N 1.848 122.194 120.300 0.077 0.000 2.181 54 Y HA -0.220 4.330 4.550 -0.000 0.000 0.288 54 Y C 1.850 177.818 175.900 0.113 0.000 1.146 54 Y CA 1.478 59.650 58.100 0.121 0.000 1.164 54 Y CB -0.116 38.413 38.460 0.115 0.000 0.982 54 Y HN 0.128 nan 8.280 nan 0.000 0.515 55 N N 0.531 119.288 118.700 0.095 0.000 2.084 55 N HA -0.215 4.525 4.740 -0.000 0.000 0.190 55 N C 1.904 177.384 175.510 -0.050 0.000 1.030 55 N CA 1.639 54.706 53.050 0.029 0.000 0.849 55 N CB -0.632 37.908 38.487 0.088 0.000 1.012 55 N HN 0.566 nan 8.380 nan 0.000 0.423 56 E N 0.660 120.839 120.200 -0.034 0.000 2.049 56 E HA -0.168 4.182 4.350 -0.000 0.000 0.198 56 E C 1.795 178.300 176.600 -0.159 0.000 1.007 56 E CA 1.348 57.712 56.400 -0.060 0.000 0.809 56 E CB -0.065 29.621 29.700 -0.023 0.000 0.749 56 E HN 0.343 nan 8.360 nan 0.000 0.450 57 A N 0.902 123.579 122.820 -0.239 0.000 1.933 57 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 57 A C 1.977 179.087 177.584 -0.790 0.000 1.175 57 A CA 1.729 53.479 52.037 -0.479 0.000 0.628 57 A CB -0.670 18.090 19.000 -0.401 0.000 0.814 57 A HN 0.252 nan 8.150 nan 0.000 0.444 58 N N -0.222 118.115 118.700 -0.605 0.000 2.142 58 N HA -0.147 4.593 4.740 -0.000 0.000 0.186 58 N C 1.698 177.187 175.510 -0.036 0.000 1.023 58 N CA 1.722 54.575 53.050 -0.328 0.000 0.852 58 N CB -0.286 38.148 38.487 -0.089 0.000 0.998 58 N HN 0.629 nan 8.380 nan 0.000 0.424 59 K N 0.386 120.773 120.400 -0.022 0.000 2.026 59 K HA -0.049 4.271 4.320 -0.000 0.000 0.208 59 K C 1.987 178.578 176.600 -0.015 0.000 1.048 59 K CA 1.149 57.472 56.287 0.060 0.000 0.929 59 K CB -0.196 32.323 32.500 0.031 0.000 0.713 59 K HN 0.130 nan 8.250 nan 0.000 0.439 60 I N 0.211 120.697 120.570 -0.141 0.000 2.163 60 I HA -0.303 3.867 4.170 -0.000 0.000 0.243 60 I C 2.309 178.254 176.117 -0.287 0.000 1.085 60 I CA 1.380 62.553 61.300 -0.211 0.000 1.347 60 I CB -0.417 37.420 38.000 -0.271 0.000 1.044 60 I HN 0.257 nan 8.210 nan 0.000 0.408 61 Y N 1.223 121.224 120.300 -0.498 0.000 2.081 61 Y HA -0.318 4.232 4.550 -0.000 0.000 0.280 61 Y C 2.224 177.863 175.900 -0.435 0.000 1.163 61 Y CA 1.820 59.574 58.100 -0.576 0.000 1.135 61 Y CB -0.488 37.452 38.460 -0.866 0.000 0.970 61 Y HN -0.002 nan 8.280 nan 0.000 0.498 62 F N 0.200 120.114 119.950 -0.061 0.000 2.325 62 F HA -0.055 4.472 4.527 -0.000 0.000 0.299 62 F C 2.527 178.288 175.800 -0.064 0.000 1.090 62 F CA 1.588 59.570 58.000 -0.030 0.000 1.392 62 F CB -0.547 38.537 39.000 0.141 0.000 1.053 62 F HN 0.192 nan 8.300 nan 0.000 0.521 63 E N 0.238 120.483 120.200 0.075 0.000 2.086 63 E HA -0.063 4.287 4.350 -0.000 0.000 0.190 63 E C 1.850 178.442 176.600 -0.014 0.000 0.975 63 E CA 0.679 57.116 56.400 0.063 0.000 0.813 63 E CB 0.207 29.957 29.700 0.083 0.000 0.768 63 E HN 0.290 nan 8.360 nan 0.000 0.457 64 R N -1.057 119.362 120.500 -0.136 0.000 2.419 64 R HA 0.224 4.564 4.340 -0.000 0.000 0.235 64 R C 1.664 177.851 176.300 -0.189 0.000 0.899 64 R CA 0.225 56.247 56.100 -0.130 0.000 1.048 64 R CB 0.564 30.679 30.300 -0.309 0.000 1.182 64 R HN 0.231 nan 8.270 nan 0.000 0.544 65 C N -0.056 119.005 119.300 -0.399 0.000 2.478 65 C HA 0.352 4.812 4.460 -0.000 0.000 0.397 65 C C 2.698 177.460 174.990 -0.380 0.000 1.360 65 C CA 0.313 59.092 59.018 -0.397 0.000 2.191 65 C CB 0.006 27.317 27.740 -0.715 0.000 2.654 65 C HN 0.474 nan 8.230 nan 0.000 0.548 66 A N 1.731 124.169 122.820 -0.636 0.000 1.986 66 A HA -0.007 4.313 4.320 -0.000 0.000 0.220 66 A C 2.290 179.865 177.584 -0.014 0.000 1.171 66 A CA 2.269 54.156 52.037 -0.249 0.000 0.640 66 A CB -1.323 17.663 19.000 -0.023 0.000 0.811 66 A HN 0.595 nan 8.150 nan 0.000 0.451 67 G N -1.184 107.607 108.800 -0.016 0.000 2.513 67 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.219 67 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.219 67 G C 1.486 176.399 174.900 0.021 0.000 1.160 67 G CA 1.542 46.657 45.100 0.025 0.000 0.767 67 G HN 0.563 nan 8.290 nan 0.000 0.571 68 C N -1.551 117.740 119.300 -0.014 0.000 2.935 68 C HA 0.342 4.802 4.460 -0.000 0.000 0.308 68 C C 1.983 176.867 174.990 -0.176 0.000 1.263 68 C CA -0.209 58.750 59.018 -0.098 0.000 1.738 68 C CB -0.460 27.166 27.740 -0.189 0.000 2.237 68 C HN 0.496 nan 8.230 nan 0.000 0.600 69 H N 0.656 119.765 119.070 0.064 0.000 2.551 69 H HA 0.292 4.848 4.556 -0.000 0.000 0.271 69 H C 1.274 176.690 175.328 0.146 0.000 0.984 69 H CA 1.229 57.345 56.048 0.113 0.000 1.164 69 H CB 0.241 30.099 29.762 0.160 0.000 1.437 69 H HN 0.528 nan 8.280 nan 0.000 0.550 70 G N 0.304 109.229 108.800 0.208 0.000 2.785 70 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.686 70 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.686 70 G C 0.656 175.715 174.900 0.265 0.000 1.155 70 G CA -0.094 45.128 45.100 0.204 0.000 0.760 70 G HN 0.156 nan 8.290 nan 0.000 0.624 71 V N 1.979 122.022 119.914 0.214 0.000 2.759 71 V HA 0.030 4.150 4.120 -0.000 0.000 0.256 71 V C 2.249 178.500 176.094 0.262 0.000 1.080 71 V CA 2.315 64.790 62.300 0.292 0.000 1.101 71 V CB -0.295 31.514 31.823 -0.023 0.000 0.698 71 V HN 0.529 nan 8.190 nan 0.000 0.477 72 L N -0.421 120.868 121.223 0.110 0.000 2.769 72 L HA 0.362 4.702 4.340 -0.000 0.000 0.240 72 L C 0.901 177.799 176.870 0.047 0.000 1.163 72 L CA -0.110 54.760 54.840 0.049 0.000 0.962 72 L CB 0.074 42.119 42.059 -0.023 0.000 1.258 72 L HN 0.223 nan 8.230 nan 0.000 0.513 73 R N -0.231 120.346 120.500 0.127 0.000 3.651 73 R HA -0.209 4.131 4.340 -0.000 0.000 0.292 73 R C 0.572 176.925 176.300 0.089 0.000 1.161 73 R CA 0.601 56.776 56.100 0.124 0.000 0.787 73 R CB -2.008 28.256 30.300 -0.059 0.000 1.249 73 R HN 0.393 nan 8.270 nan 0.000 0.476 74 K N 0.709 121.166 120.400 0.096 0.000 2.374 74 K HA 0.164 4.484 4.320 -0.000 0.000 0.196 74 K C 0.941 177.600 176.600 0.097 0.000 1.023 74 K CA 0.647 56.977 56.287 0.071 0.000 1.103 74 K CB 0.940 33.470 32.500 0.050 0.000 0.848 74 K HN 0.540 nan 8.250 nan 0.000 0.528 75 G N 0.192 109.079 108.800 0.145 0.000 2.663 75 G HA2 0.073 4.033 3.960 -0.000 0.000 0.686 75 G HA3 0.073 4.033 3.960 -0.000 0.000 0.686 75 G C -0.363 174.605 174.900 0.112 0.000 1.246 75 G CA -0.544 44.644 45.100 0.147 0.000 0.795 75 G HN 0.224 nan 8.290 nan 0.000 0.627 76 A N -0.484 122.386 122.820 0.083 0.000 2.043 76 A HA 0.843 5.163 4.320 -0.000 0.000 0.183 76 A C 2.103 179.724 177.584 0.061 0.000 1.568 76 A CA 1.307 53.395 52.037 0.084 0.000 1.796 76 A CB -0.568 18.488 19.000 0.093 0.000 1.908 76 A HN 2.277 nan 8.150 nan 0.000 0.851 77 T N -1.263 113.311 114.554 0.032 0.000 3.035 77 T HA 0.376 4.726 4.350 -0.000 0.000 0.259 77 T C 1.096 175.790 174.700 -0.010 0.000 1.078 77 T CA 0.922 63.048 62.100 0.045 0.000 1.132 77 T CB -0.503 68.409 68.868 0.072 0.000 0.900 77 T HN 0.962 nan 8.240 nan 0.000 0.480 78 G N 0.945 109.659 108.800 -0.142 0.000 2.504 78 G HA2 0.521 4.481 3.960 -0.000 0.000 0.288 78 G HA3 0.521 4.481 3.960 -0.000 0.000 0.288 78 G C -0.573 174.341 174.900 0.023 0.000 1.182 78 G CA -0.915 44.018 45.100 -0.278 0.000 0.894 78 G HN 0.314 nan 8.290 nan 0.000 0.521 79 K N -0.095 120.436 120.400 0.219 0.000 2.180 79 K HA 0.439 4.759 4.320 -0.000 0.000 0.251 79 K C 0.718 177.475 176.600 0.262 0.000 1.014 79 K CA -0.193 56.211 56.287 0.195 0.000 0.913 79 K CB 0.875 33.438 32.500 0.106 0.000 1.008 79 K HN 0.567 nan 8.250 nan 0.000 0.490 80 A N 1.904 124.800 122.820 0.127 0.000 2.498 80 A HA 0.125 4.445 4.320 -0.000 0.000 0.239 80 A C 0.268 177.871 177.584 0.031 0.000 1.068 80 A CA 0.172 52.262 52.037 0.088 0.000 0.766 80 A CB -0.186 18.838 19.000 0.040 0.000 1.003 80 A HN 0.698 nan 8.150 nan 0.000 0.497 81 L N 2.465 123.685 121.223 -0.005 0.000 3.347 81 L HA 0.143 4.483 4.340 -0.000 0.000 0.306 81 L C 0.622 177.431 176.870 -0.101 0.000 1.301 81 L CA -0.207 54.582 54.840 -0.084 0.000 0.985 81 L CB -0.030 41.937 42.059 -0.154 0.000 1.400 81 L HN 0.872 nan 8.230 nan 0.000 0.601 82 T N -2.984 111.527 114.554 -0.072 0.000 2.918 82 T HA 0.156 4.506 4.350 -0.000 0.000 0.302 82 T C -1.353 173.294 174.700 -0.088 0.000 1.045 82 T CA -1.379 60.670 62.100 -0.084 0.000 1.114 82 T CB 0.884 69.719 68.868 -0.054 0.000 0.965 82 T HN -0.046 nan 8.240 nan 0.000 0.540 83 P HA -0.148 nan 4.420 nan 0.000 0.221 83 P C 1.024 178.284 177.300 -0.067 0.000 1.145 83 P CA 1.168 64.216 63.100 -0.086 0.000 0.795 83 P CB 0.006 31.651 31.700 -0.091 0.000 0.775 84 D N -0.136 120.228 120.400 -0.060 0.000 2.219 84 D HA -0.130 4.510 4.640 -0.000 0.000 0.205 84 D C 1.971 178.235 176.300 -0.059 0.000 0.970 84 D CA 0.942 54.911 54.000 -0.052 0.000 0.851 84 D CB -1.097 39.677 40.800 -0.043 0.000 0.943 84 D HN 0.252 nan 8.370 nan 0.000 0.488 85 L N 0.356 121.539 121.223 -0.068 0.000 2.221 85 L HA 0.023 4.363 4.340 -0.000 0.000 0.202 85 L C 2.761 179.565 176.870 -0.109 0.000 1.074 85 L CA 1.227 56.016 54.840 -0.085 0.000 0.795 85 L CB -0.666 41.344 42.059 -0.081 0.000 0.960 85 L HN 0.120 nan 8.230 nan 0.000 0.458 86 T N -2.274 112.223 114.554 -0.097 0.000 2.821 86 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 86 T C 2.018 176.677 174.700 -0.068 0.000 1.046 86 T CA 0.828 62.874 62.100 -0.091 0.000 1.139 86 T CB -0.272 68.552 68.868 -0.072 0.000 0.871 86 T HN 0.164 nan 8.240 nan 0.000 0.454 87 R N 1.012 121.479 120.500 -0.054 0.000 2.096 87 R HA -0.047 4.293 4.340 -0.000 0.000 0.235 87 R C 2.407 178.683 176.300 -0.040 0.000 1.127 87 R CA 1.597 57.678 56.100 -0.032 0.000 0.968 87 R CB -0.321 29.961 30.300 -0.029 0.000 0.861 87 R HN 0.524 nan 8.270 nan 0.000 0.440 88 D N 0.479 120.838 120.400 -0.068 0.000 2.144 88 D HA -0.111 4.529 4.640 -0.000 0.000 0.200 88 D C 1.910 178.136 176.300 -0.124 0.000 0.978 88 D CA 1.004 54.956 54.000 -0.081 0.000 0.833 88 D CB 0.166 40.912 40.800 -0.090 0.000 0.961 88 D HN 0.203 nan 8.370 nan 0.000 0.470 89 L N 0.211 121.313 121.223 -0.201 0.000 2.072 89 L HA 0.052 4.392 4.340 -0.000 0.000 0.205 89 L C 1.381 178.187 176.870 -0.105 0.000 1.079 89 L CA 0.702 55.324 54.840 -0.363 0.000 0.752 89 L CB -0.585 41.085 42.059 -0.649 0.000 0.906 89 L HN 0.071 nan 8.230 nan 0.000 0.436 90 G N -1.372 107.424 108.800 -0.007 0.000 2.712 90 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.686 90 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.686 90 G C -0.003 175.008 174.900 0.186 0.000 1.321 90 G CA -0.083 45.078 45.100 0.103 0.000 0.813 90 G HN 0.081 nan 8.290 nan 0.000 0.599 91 F N 1.075 121.073 119.950 0.080 0.000 2.024 91 F HA -0.194 4.333 4.527 -0.000 0.000 0.296 91 F C 2.474 178.354 175.800 0.135 0.000 1.137 91 F CA 2.982 61.038 58.000 0.094 0.000 1.200 91 F CB -0.247 38.794 39.000 0.068 0.000 0.954 91 F HN 0.562 nan 8.300 nan 0.000 0.497 92 D N -0.852 119.663 120.400 0.190 0.000 2.133 92 D HA -0.299 4.341 4.640 -0.000 0.000 0.192 92 D C 2.019 178.361 176.300 0.070 0.000 1.001 92 D CA 2.078 56.135 54.000 0.095 0.000 0.844 92 D CB -1.062 39.855 40.800 0.194 0.000 0.944 92 D HN 0.518 nan 8.370 nan 0.000 0.447 93 Y N 1.240 121.560 120.300 0.034 0.000 2.181 93 Y HA -0.137 4.413 4.550 -0.000 0.000 0.288 93 Y C 2.242 178.196 175.900 0.090 0.000 1.146 93 Y CA 1.253 59.404 58.100 0.085 0.000 1.164 93 Y CB -0.457 38.053 38.460 0.085 0.000 0.982 93 Y HN -0.063 nan 8.280 nan 0.000 0.515 94 L N 0.107 121.492 121.223 0.269 0.000 2.093 94 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 94 L C 2.686 179.542 176.870 -0.023 0.000 1.085 94 L CA 1.800 56.724 54.840 0.140 0.000 0.755 94 L CB -0.674 41.412 42.059 0.045 0.000 0.904 94 L HN 0.314 nan 8.230 nan 0.000 0.435 95 Q N -0.432 119.224 119.800 -0.242 0.000 2.119 95 Q HA -0.215 4.124 4.340 -0.000 0.000 0.201 95 Q C 2.383 178.326 176.000 -0.095 0.000 0.972 95 Q CA 1.877 57.506 55.803 -0.290 0.000 0.847 95 Q CB 0.048 28.441 28.738 -0.576 0.000 0.903 95 Q HN 0.391 nan 8.270 nan 0.000 0.433 96 S N -0.529 115.155 115.700 -0.027 0.000 2.355 96 S HA -0.131 4.339 4.470 -0.000 0.000 0.222 96 S C 1.686 176.329 174.600 0.073 0.000 1.031 96 S CA 0.876 59.122 58.200 0.077 0.000 0.993 96 S CB -0.466 62.752 63.200 0.031 0.000 0.859 96 S HN 0.504 nan 8.310 nan 0.000 0.453 97 F N 1.590 121.492 119.950 -0.079 0.000 2.095 97 F HA -0.018 4.509 4.527 -0.000 0.000 0.298 97 F C 2.057 177.882 175.800 0.041 0.000 1.104 97 F CA 1.701 59.674 58.000 -0.045 0.000 1.232 97 F CB -0.211 38.737 39.000 -0.087 0.000 0.987 97 F HN 0.241 nan 8.300 nan 0.000 0.475 98 I N -1.161 119.548 120.570 0.233 0.000 2.315 98 I HA -0.279 3.891 4.170 -0.000 0.000 0.248 98 I C 2.173 178.370 176.117 0.132 0.000 1.117 98 I CA 1.430 62.862 61.300 0.221 0.000 1.404 98 I CB -0.784 37.285 38.000 0.116 0.000 1.071 98 I HN 0.092 nan 8.210 nan 0.000 0.419 99 T N -0.043 114.482 114.554 -0.048 0.000 2.674 99 T HA -0.185 4.165 4.350 -0.000 0.000 0.265 99 T C 1.488 175.958 174.700 -0.383 0.000 1.039 99 T CA 1.751 63.678 62.100 -0.287 0.000 1.150 99 T CB -0.317 68.198 68.868 -0.588 0.000 0.864 99 T HN 0.281 nan 8.240 nan 0.000 0.427 100 Y N 0.742 120.998 120.300 -0.073 0.000 2.458 100 Y HA 0.425 4.975 4.550 -0.000 0.000 0.254 100 Y C 1.791 177.594 175.900 -0.162 0.000 1.120 100 Y CA -0.179 57.846 58.100 -0.125 0.000 1.282 100 Y CB -0.314 38.038 38.460 -0.179 0.000 1.109 100 Y HN 0.428 nan 8.280 nan 0.000 0.526 101 G N 0.892 109.676 108.800 -0.026 0.000 2.601 101 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.261 101 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.261 101 G C -0.198 174.608 174.900 -0.156 0.000 1.289 101 G CA 0.020 45.100 45.100 -0.035 0.000 0.920 101 G HN 0.749 nan 8.290 nan 0.000 0.571 102 S N -0.656 115.020 115.700 -0.041 0.000 2.550 102 S HA 0.745 5.215 4.470 -0.000 0.000 0.270 102 S C -2.117 172.489 174.600 0.010 0.000 1.145 102 S CA 0.070 58.244 58.200 -0.043 0.000 0.852 102 S CB 2.316 65.567 63.200 0.085 0.000 1.119 102 S HN 0.665 nan 8.310 nan 0.000 0.465 103 P HA 0.189 nan 4.420 nan 0.000 0.239 103 P C 0.862 178.191 177.300 0.049 0.000 1.184 103 P CA 0.647 63.758 63.100 0.020 0.000 0.760 103 P CB -0.248 31.457 31.700 0.007 0.000 0.884 104 A N -0.351 122.512 122.820 0.072 0.000 2.238 104 A HA 0.464 4.784 4.320 -0.000 0.000 0.208 104 A C 1.613 179.256 177.584 0.099 0.000 1.177 104 A CA 0.776 52.865 52.037 0.086 0.000 0.804 104 A CB -0.909 18.151 19.000 0.101 0.000 0.823 104 A HN 0.278 nan 8.150 nan 0.000 0.482 105 G N -2.191 106.659 108.800 0.084 0.000 2.227 105 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.168 105 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.168 105 G C 0.012 174.926 174.900 0.023 0.000 1.006 105 G CA 0.087 45.227 45.100 0.068 0.000 0.684 105 G HN 0.574 nan 8.290 nan 0.000 0.489 106 M N 2.502 122.137 119.600 0.058 0.000 2.084 106 M HA 0.638 5.118 4.480 -0.000 0.000 0.351 106 M C -2.388 173.857 176.300 -0.091 0.000 1.240 106 M CA -3.137 52.207 55.300 0.072 0.000 1.083 106 M CB 0.704 33.470 32.600 0.276 0.000 1.593 106 M HN -0.074 nan 8.290 nan 0.000 0.463 107 P HA 0.069 nan 4.420 nan 0.000 0.268 107 P C -0.976 175.995 177.300 -0.549 0.000 1.208 107 P CA 0.137 62.800 63.100 -0.729 0.000 0.777 107 P CB 0.190 30.873 31.700 -1.694 0.000 0.875 108 N N 1.929 120.372 118.700 -0.428 0.000 3.188 108 N HA 0.005 4.745 4.740 -0.000 0.000 0.279 108 N C 0.403 175.776 175.510 -0.228 0.000 1.213 108 N CA -0.404 52.511 53.050 -0.225 0.000 1.138 108 N CB -0.532 37.887 38.487 -0.114 0.000 1.417 108 N HN 0.466 nan 8.380 nan 0.000 0.526 109 W N 1.647 122.922 121.300 -0.041 0.000 2.302 109 W HA -0.105 4.554 4.660 -0.000 0.000 0.320 109 W C 2.321 178.817 176.519 -0.039 0.000 1.241 109 W CA 1.552 58.885 57.345 -0.021 0.000 1.264 109 W CB -0.516 28.933 29.460 -0.019 0.000 1.154 109 W HN 0.505 nan 8.180 nan 0.000 0.483 110 G N -1.299 107.571 108.800 0.117 0.000 2.404 110 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.214 110 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.214 110 G C 1.394 176.267 174.900 -0.044 0.000 1.189 110 G CA 1.520 46.621 45.100 0.002 0.000 0.789 110 G HN 0.167 nan 8.290 nan 0.000 0.533 111 T N 1.016 115.506 114.554 -0.107 0.000 2.962 111 T HA -0.067 4.283 4.350 -0.000 0.000 0.270 111 T C 2.622 177.307 174.700 -0.025 0.000 1.088 111 T CA 1.634 63.687 62.100 -0.078 0.000 1.127 111 T CB -0.200 68.615 68.868 -0.089 0.000 0.883 111 T HN 0.477 nan 8.240 nan 0.000 0.493 112 S N -0.209 115.480 115.700 -0.018 0.000 2.548 112 S HA 0.349 4.819 4.470 -0.000 0.000 0.215 112 S C 1.848 176.470 174.600 0.036 0.000 0.976 112 S CA 0.565 58.766 58.200 0.000 0.000 0.908 112 S CB -0.026 63.159 63.200 -0.024 0.000 0.781 112 S HN 0.586 nan 8.310 nan 0.000 0.519 113 G N 1.609 110.439 108.800 0.050 0.000 2.168 113 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.263 113 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.263 113 G C 0.750 175.716 174.900 0.111 0.000 0.977 113 G CA 0.555 45.694 45.100 0.066 0.000 0.659 113 G HN 0.506 nan 8.290 nan 0.000 0.533 114 E N -0.560 119.746 120.200 0.177 0.000 2.152 114 E HA 0.103 4.453 4.350 -0.000 0.000 0.192 114 E C 1.455 178.217 176.600 0.270 0.000 0.983 114 E CA 0.714 57.279 56.400 0.275 0.000 0.818 114 E CB 0.144 30.120 29.700 0.460 0.000 0.758 114 E HN 0.625 nan 8.360 nan 0.000 0.467 115 L N 1.173 122.553 121.223 0.262 0.000 2.346 115 L HA 0.225 4.565 4.340 -0.000 0.000 0.274 115 L C 0.518 177.444 176.870 0.094 0.000 1.007 115 L CA -0.759 54.168 54.840 0.145 0.000 0.818 115 L CB 1.919 44.043 42.059 0.109 0.000 1.284 115 L HN -0.059 nan 8.230 nan 0.000 0.424 116 S N 1.371 117.105 115.700 0.057 0.000 2.634 116 S HA 0.377 4.847 4.470 -0.000 0.000 0.261 116 S C 1.131 175.751 174.600 0.034 0.000 1.271 116 S CA 0.012 58.237 58.200 0.042 0.000 0.985 116 S CB 1.497 64.719 63.200 0.035 0.000 0.968 116 S HN 0.704 nan 8.310 nan 0.000 0.568 117 A N 0.190 123.027 122.820 0.029 0.000 1.933 117 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 117 A C 2.157 179.768 177.584 0.045 0.000 1.175 117 A CA 1.746 53.800 52.037 0.029 0.000 0.628 117 A CB -1.293 17.724 19.000 0.028 0.000 0.814 117 A HN 1.017 nan 8.150 nan 0.000 0.444 118 E N -0.143 120.083 120.200 0.045 0.000 2.058 118 E HA -0.290 4.060 4.350 -0.000 0.000 0.194 118 E C 2.136 178.764 176.600 0.047 0.000 0.997 118 E CA 1.631 58.061 56.400 0.051 0.000 0.801 118 E CB -0.222 29.502 29.700 0.040 0.000 0.746 118 E HN 0.773 nan 8.360 nan 0.000 0.450 119 Q N -0.025 119.791 119.800 0.027 0.000 2.084 119 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 119 Q C 2.390 178.388 176.000 -0.004 0.000 0.978 119 Q CA 1.606 57.409 55.803 0.001 0.000 0.844 119 Q CB -0.014 28.715 28.738 -0.015 0.000 0.898 119 Q HN 0.209 nan 8.270 nan 0.000 0.426 120 V N 1.748 121.669 119.914 0.012 0.000 2.287 120 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 120 V C 1.515 177.623 176.094 0.023 0.000 1.053 120 V CA 2.100 64.402 62.300 0.003 0.000 1.027 120 V CB -0.466 31.355 31.823 -0.003 0.000 0.646 120 V HN 0.352 nan 8.190 nan 0.000 0.447 121 D N -0.460 119.994 120.400 0.090 0.000 2.178 121 D HA -0.111 4.529 4.640 -0.000 0.000 0.202 121 D C 2.075 178.516 176.300 0.236 0.000 0.974 121 D CA 0.803 54.946 54.000 0.238 0.000 0.841 121 D CB -0.232 40.758 40.800 0.317 0.000 0.953 121 D HN 0.307 nan 8.370 nan 0.000 0.478 122 L N 0.128 121.427 121.223 0.127 0.000 2.046 122 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 122 L C 1.998 178.923 176.870 0.091 0.000 1.077 122 L CA 1.061 55.961 54.840 0.100 0.000 0.747 122 L CB -0.083 41.997 42.059 0.035 0.000 0.896 122 L HN 0.029 nan 8.230 nan 0.000 0.432 123 M N -0.697 118.918 119.600 0.025 0.000 2.175 123 M HA -0.095 4.385 4.480 -0.000 0.000 0.264 123 M C 2.449 178.803 176.300 0.090 0.000 1.063 123 M CA 1.613 56.916 55.300 0.005 0.000 1.119 123 M CB -1.591 30.952 32.600 -0.096 0.000 1.377 123 M HN 0.290 nan 8.290 nan 0.000 0.415 124 A N 0.777 123.642 122.820 0.075 0.000 1.930 124 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 124 A C 2.076 179.795 177.584 0.225 0.000 1.175 124 A CA 1.583 53.653 52.037 0.055 0.000 0.627 124 A CB -0.655 18.190 19.000 -0.258 0.000 0.815 124 A HN 0.482 nan 8.150 nan 0.000 0.443 125 N N -1.423 117.477 118.700 0.333 0.000 2.188 125 N HA -0.154 4.586 4.740 -0.000 0.000 0.184 125 N C 1.607 177.240 175.510 0.206 0.000 1.018 125 N CA 1.603 54.822 53.050 0.283 0.000 0.858 125 N CB -0.561 38.065 38.487 0.230 0.000 0.989 125 N HN 0.687 nan 8.380 nan 0.000 0.426 126 Y N 1.956 122.300 120.300 0.073 0.000 2.207 126 Y HA -0.073 4.477 4.550 -0.000 0.000 0.287 126 Y C 2.103 177.985 175.900 -0.031 0.000 1.156 126 Y CA 1.300 59.418 58.100 0.030 0.000 1.182 126 Y CB -0.328 38.101 38.460 -0.053 0.000 0.979 126 Y HN -0.030 nan 8.280 nan 0.000 0.521 127 L N -0.166 121.089 121.223 0.054 0.000 2.362 127 L HA -0.178 4.162 4.340 -0.000 0.000 0.219 127 L C 1.943 178.755 176.870 -0.097 0.000 1.134 127 L CA 0.728 55.520 54.840 -0.079 0.000 0.807 127 L CB -0.419 41.630 42.059 -0.017 0.000 0.927 127 L HN 0.334 nan 8.230 nan 0.000 0.447 128 L N -0.612 120.591 121.223 -0.033 0.000 2.492 128 L HA 0.040 4.380 4.340 -0.000 0.000 0.223 128 L C 0.903 177.730 176.870 -0.072 0.000 1.132 128 L CA 0.115 54.940 54.840 -0.026 0.000 0.850 128 L CB -0.056 42.028 42.059 0.040 0.000 0.966 128 L HN 0.170 nan 8.230 nan 0.000 0.454 129 L N -0.713 120.435 121.223 -0.125 0.000 2.439 129 L HA 0.228 4.568 4.340 -0.000 0.000 0.259 129 L C -0.188 176.561 176.870 -0.202 0.000 1.129 129 L CA -0.864 53.888 54.840 -0.147 0.000 0.803 129 L CB 0.513 42.494 42.059 -0.131 0.000 1.161 129 L HN -0.103 nan 8.230 nan 0.000 0.462 130 D N 1.269 121.577 120.400 -0.153 0.000 2.443 130 D HA 0.132 4.772 4.640 -0.000 0.000 0.239 130 D C -2.192 174.006 176.300 -0.171 0.000 1.136 130 D CA -0.492 53.426 54.000 -0.137 0.000 0.879 130 D CB 0.337 41.083 40.800 -0.091 0.000 1.195 130 D HN 0.201 nan 8.370 nan 0.000 0.443 131 P HA 0.102 nan 4.420 nan 0.000 0.262 131 P C -0.865 176.414 177.300 -0.036 0.000 1.182 131 P CA -0.027 62.975 63.100 -0.164 0.000 0.761 131 P CB 0.463 32.100 31.700 -0.106 0.000 0.795 132 A N 3.596 126.441 122.820 0.043 0.000 2.346 132 A HA 0.533 4.853 4.320 -0.000 0.000 0.252 132 A C 0.401 178.128 177.584 0.238 0.000 1.089 132 A CA -0.136 52.041 52.037 0.233 0.000 0.797 132 A CB -0.037 19.219 19.000 0.428 0.000 1.047 132 A HN 0.584 nan 8.150 nan 0.000 0.494 133 A N 2.035 124.964 122.820 0.182 0.000 2.451 133 A HA 0.529 4.849 4.320 -0.000 0.000 0.266 133 A C -2.274 175.325 177.584 0.024 0.000 1.119 133 A CA -1.137 50.958 52.037 0.095 0.000 0.786 133 A CB -0.811 18.239 19.000 0.083 0.000 1.061 133 A HN 0.576 nan 8.150 nan 0.000 0.503 134 P HA 0.170 nan 4.420 nan 0.000 0.264 134 P C -2.294 174.943 177.300 -0.105 0.000 1.193 134 P CA -0.432 62.458 63.100 -0.351 0.000 0.763 134 P CB 0.142 31.475 31.700 -0.612 0.000 0.810 135 P HA 0.250 nan 4.420 nan 0.000 0.280 135 P C -0.298 177.138 177.300 0.227 0.000 1.272 135 P CA -0.342 62.758 63.100 -0.000 0.000 0.819 135 P CB 1.057 32.675 31.700 -0.136 0.000 1.122 136 E N -0.067 120.212 120.200 0.131 0.000 2.342 136 E HA 0.334 4.684 4.350 -0.000 0.000 0.257 136 E C -0.985 175.695 176.600 0.133 0.000 1.150 136 E CA -0.187 56.253 56.400 0.066 0.000 0.926 136 E CB 0.372 30.076 29.700 0.006 0.000 1.074 136 E HN 0.435 nan 8.360 nan 0.000 0.449 137 F N 0.239 120.136 119.950 -0.088 0.000 2.971 137 F HA 0.348 4.875 4.527 -0.000 0.000 0.373 137 F C 0.228 175.983 175.800 -0.075 0.000 1.288 137 F CA -0.333 57.633 58.000 -0.056 0.000 1.204 137 F CB 0.537 39.513 39.000 -0.040 0.000 1.852 137 F HN 0.443 nan 8.300 nan 0.000 0.624 138 G N 1.733 110.434 108.800 -0.165 0.000 2.509 138 G HA2 0.212 4.172 3.960 -0.000 0.000 0.269 138 G HA3 0.212 4.172 3.960 -0.000 0.000 0.269 138 G C 0.821 175.620 174.900 -0.168 0.000 1.416 138 G CA -0.356 44.666 45.100 -0.131 0.000 1.052 138 G HN 0.499 nan 8.290 nan 0.000 0.542 139 M N -0.265 119.262 119.600 -0.122 0.000 2.108 139 M HA -0.017 4.463 4.480 -0.000 0.000 0.261 139 M C 2.344 178.574 176.300 -0.117 0.000 1.066 139 M CA 1.958 57.194 55.300 -0.107 0.000 1.107 139 M CB -0.478 32.072 32.600 -0.084 0.000 1.356 139 M HN 0.618 nan 8.290 nan 0.000 0.406 140 K N -0.467 119.857 120.400 -0.127 0.000 2.026 140 K HA -0.222 4.098 4.320 -0.000 0.000 0.208 140 K C 1.616 178.116 176.600 -0.167 0.000 1.048 140 K CA 2.066 58.286 56.287 -0.111 0.000 0.929 140 K CB -0.116 32.327 32.500 -0.095 0.000 0.713 140 K HN 0.384 nan 8.250 nan 0.000 0.439 141 E N 0.381 120.383 120.200 -0.331 0.000 2.106 141 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 141 E C 1.991 178.315 176.600 -0.461 0.000 0.984 141 E CA 1.462 57.528 56.400 -0.556 0.000 0.806 141 E CB -0.070 28.945 29.700 -1.141 0.000 0.750 141 E HN 0.344 nan 8.360 nan 0.000 0.458 142 M N 0.022 119.437 119.600 -0.308 0.000 2.132 142 M HA -0.080 4.400 4.480 -0.000 0.000 0.263 142 M C 2.172 178.527 176.300 0.093 0.000 1.065 142 M CA 1.406 56.725 55.300 0.032 0.000 1.122 142 M CB -0.158 32.483 32.600 0.069 0.000 1.365 142 M HN -0.014 nan 8.290 nan 0.000 0.411 143 R N -0.017 120.516 120.500 0.054 0.000 2.096 143 R HA -0.140 4.200 4.340 -0.000 0.000 0.235 143 R C 2.052 178.471 176.300 0.197 0.000 1.127 143 R CA 1.207 57.419 56.100 0.187 0.000 0.968 143 R CB -0.328 30.056 30.300 0.139 0.000 0.861 143 R HN 0.471 nan 8.270 nan 0.000 0.440 144 E N 0.523 120.775 120.200 0.086 0.000 2.153 144 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 144 E C 1.659 178.318 176.600 0.098 0.000 0.988 144 E CA 1.506 57.945 56.400 0.065 0.000 0.811 144 E CB 0.164 29.871 29.700 0.012 0.000 0.746 144 E HN 0.326 nan 8.360 nan 0.000 0.466 145 S N -0.580 115.209 115.700 0.148 0.000 2.501 145 S HA -0.078 4.392 4.470 -0.000 0.000 0.220 145 S C 0.388 175.114 174.600 0.210 0.000 0.997 145 S CA -0.494 57.813 58.200 0.179 0.000 0.919 145 S CB -0.296 63.054 63.200 0.250 0.000 0.778 145 S HN 0.349 nan 8.310 nan 0.000 0.523 146 W N 3.267 124.578 121.300 0.019 0.000 2.308 146 W HA 0.528 5.188 4.660 -0.000 0.000 0.324 146 W C -0.593 175.894 176.519 -0.054 0.000 1.387 146 W CA -0.668 56.670 57.345 -0.012 0.000 1.250 146 W CB 0.064 29.518 29.460 -0.010 0.000 1.257 146 W HN -0.053 nan 8.180 nan 0.000 0.554 147 K N 4.505 124.744 120.400 -0.268 0.000 2.601 147 K HA 0.379 4.699 4.320 -0.000 0.000 0.249 147 K C -1.494 174.721 176.600 -0.642 0.000 0.966 147 K CA -0.636 55.332 56.287 -0.533 0.000 0.827 147 K CB 1.863 34.114 32.500 -0.415 0.000 1.178 147 K HN 0.165 nan 8.250 nan 0.000 0.437 148 V N 5.360 124.867 119.914 -0.679 0.000 2.318 148 V HA 0.148 4.268 4.120 -0.000 0.000 0.271 148 V C 0.753 176.648 176.094 -0.332 0.000 1.030 148 V CA -0.491 61.558 62.300 -0.419 0.000 0.844 148 V CB 0.772 32.396 31.823 -0.332 0.000 1.015 148 V HN 0.820 nan 8.190 nan 0.000 0.460 149 H N 3.199 122.218 119.070 -0.085 0.000 2.403 149 H HA 0.161 4.717 4.556 -0.000 0.000 0.298 149 H C 0.331 175.632 175.328 -0.045 0.000 1.059 149 H CA 0.961 56.973 56.048 -0.060 0.000 1.363 149 H CB 0.765 30.505 29.762 -0.036 0.000 1.410 149 H HN 0.391 nan 8.280 nan 0.000 0.528 150 V N 1.541 121.501 119.914 0.076 0.000 2.398 150 V HA 0.428 4.548 4.120 -0.000 0.000 0.282 150 V C 0.168 176.273 176.094 0.019 0.000 1.014 150 V CA -0.993 61.334 62.300 0.045 0.000 0.838 150 V CB 1.032 32.889 31.823 0.058 0.000 1.018 150 V HN 0.342 nan 8.190 nan 0.000 0.432 151 A N 6.617 129.436 122.820 -0.001 0.000 2.547 151 A HA 0.371 4.691 4.320 -0.000 0.000 0.233 151 A C -1.117 176.480 177.584 0.022 0.000 1.067 151 A CA -0.356 51.680 52.037 -0.002 0.000 0.763 151 A CB -0.051 18.944 19.000 -0.010 0.000 1.007 151 A HN 0.651 nan 8.150 nan 0.000 0.506 152 P HA -0.144 nan 4.420 nan 0.000 0.216 152 P C 1.000 178.328 177.300 0.046 0.000 1.150 152 P CA 1.520 64.645 63.100 0.043 0.000 0.837 152 P CB 0.110 31.828 31.700 0.030 0.000 0.786 153 E N -0.782 119.437 120.200 0.032 0.000 2.265 153 E HA -0.145 4.205 4.350 -0.000 0.000 0.196 153 E C 0.680 177.298 176.600 0.030 0.000 0.996 153 E CA 0.763 57.180 56.400 0.029 0.000 0.832 153 E CB -0.305 29.407 29.700 0.019 0.000 0.756 153 E HN 0.326 nan 8.360 nan 0.000 0.491 154 D N -0.189 120.229 120.400 0.030 0.000 2.349 154 D HA 0.056 4.696 4.640 -0.000 0.000 0.214 154 D C 0.308 176.632 176.300 0.040 0.000 1.063 154 D CA 0.214 54.231 54.000 0.029 0.000 0.847 154 D CB 0.334 41.146 40.800 0.020 0.000 0.933 154 D HN 0.054 nan 8.370 nan 0.000 0.513 155 R N 1.007 121.542 120.500 0.058 0.000 2.553 155 R HA 0.436 4.776 4.340 -0.000 0.000 0.263 155 R C -2.282 174.072 176.300 0.089 0.000 1.066 155 R CA -1.530 54.616 56.100 0.077 0.000 1.135 155 R CB -0.118 30.245 30.300 0.106 0.000 1.148 155 R HN -0.141 nan 8.270 nan 0.000 0.558 156 P HA -0.021 nan 4.420 nan 0.000 0.268 156 P C 0.339 177.766 177.300 0.212 0.000 1.208 156 P CA 0.150 63.325 63.100 0.124 0.000 0.777 156 P CB 0.550 32.328 31.700 0.129 0.000 0.875 157 T N -2.178 112.466 114.554 0.151 0.000 3.069 157 T HA 0.135 4.485 4.350 -0.000 0.000 0.252 157 T C 0.377 175.178 174.700 0.168 0.000 1.053 157 T CA -0.041 62.175 62.100 0.194 0.000 0.964 157 T CB -0.231 68.693 68.868 0.093 0.000 1.005 157 T HN 0.636 nan 8.240 nan 0.000 0.532 158 Q N -0.044 119.710 119.800 -0.077 0.000 2.482 158 Q HA 0.344 4.684 4.340 -0.000 0.000 0.286 158 Q C -1.206 174.261 176.000 -0.890 0.000 1.007 158 Q CA -1.187 54.202 55.803 -0.690 0.000 0.801 158 Q CB 1.091 29.566 28.738 -0.437 0.000 1.455 158 Q HN 0.167 nan 8.270 nan 0.000 0.398 159 Q N 0.828 119.700 119.800 -1.547 0.000 2.264 159 Q HA -0.082 4.258 4.340 -0.000 0.000 0.296 159 Q C -0.379 175.326 176.000 -0.491 0.000 1.103 159 Q CA 0.810 55.958 55.803 -1.092 0.000 0.967 159 Q CB 0.421 28.605 28.738 -0.922 0.000 1.090 159 Q HN 0.698 nan 8.270 nan 0.000 0.379 160 E N 2.963 122.979 120.200 -0.307 0.000 2.465 160 E HA 0.037 4.387 4.350 -0.000 0.000 0.195 160 E C -0.702 175.767 176.600 -0.219 0.000 1.028 160 E CA -0.122 56.149 56.400 -0.214 0.000 0.899 160 E CB 0.283 29.900 29.700 -0.138 0.000 1.032 160 E HN 0.675 nan 8.360 nan 0.000 0.468 161 N N -0.679 117.847 118.700 -0.290 0.000 2.457 161 N HA 0.050 4.790 4.740 -0.000 0.000 0.290 161 N C 0.147 175.539 175.510 -0.196 0.000 1.232 161 N CA -0.751 52.095 53.050 -0.340 0.000 0.852 161 N CB 0.802 38.824 38.487 -0.774 0.000 1.313 161 N HN -0.187 nan 8.380 nan 0.000 0.522 162 D N -1.706 118.666 120.400 -0.047 0.000 2.339 162 D HA -0.008 4.632 4.640 -0.000 0.000 0.217 162 D C -0.568 175.875 176.300 0.237 0.000 1.050 162 D CA -0.253 53.798 54.000 0.085 0.000 0.856 162 D CB -0.060 40.817 40.800 0.128 0.000 0.922 162 D HN 0.378 nan 8.370 nan 0.000 0.518 163 W N 1.831 123.125 121.300 -0.010 0.000 2.079 163 W HA 0.264 4.924 4.660 -0.000 0.000 0.354 163 W C 0.616 177.139 176.519 0.006 0.000 1.302 163 W CA -0.875 56.474 57.345 0.006 0.000 1.281 163 W CB -0.292 29.183 29.460 0.027 0.000 1.165 163 W HN -0.137 nan 8.180 nan 0.000 0.603 164 D N 1.141 121.705 120.400 0.273 0.000 2.540 164 D HA 0.213 4.853 4.640 -0.000 0.000 0.251 164 D C 1.311 177.719 176.300 0.181 0.000 1.159 164 D CA -0.047 54.048 54.000 0.159 0.000 0.974 164 D CB -0.018 40.834 40.800 0.087 0.000 0.996 164 D HN 0.217 nan 8.370 nan 0.000 0.512 165 L N 1.266 122.618 121.223 0.216 0.000 2.021 165 L HA -0.206 4.134 4.340 -0.000 0.000 0.215 165 L C 1.962 178.933 176.870 0.168 0.000 1.074 165 L CA 1.336 56.311 54.840 0.225 0.000 0.760 165 L CB -0.290 41.904 42.059 0.226 0.000 0.889 165 L HN 0.414 nan 8.230 nan 0.000 0.433 166 E N -0.473 119.819 120.200 0.154 0.000 2.265 166 E HA -0.197 4.153 4.350 -0.000 0.000 0.196 166 E C 1.476 178.134 176.600 0.097 0.000 0.996 166 E CA 0.759 57.255 56.400 0.161 0.000 0.832 166 E CB -0.121 29.697 29.700 0.198 0.000 0.756 166 E HN 0.480 nan 8.360 nan 0.000 0.491 167 N N 0.232 118.971 118.700 0.066 0.000 2.214 167 N HA 0.073 4.813 4.740 -0.000 0.000 0.214 167 N C -0.235 175.301 175.510 0.043 0.000 1.132 167 N CA -0.245 52.820 53.050 0.025 0.000 0.856 167 N CB 0.471 38.985 38.487 0.045 0.000 1.020 167 N HN 0.005 nan 8.380 nan 0.000 0.509 168 L N 1.074 122.331 121.223 0.056 0.000 2.452 168 L HA 0.225 4.565 4.340 -0.000 0.000 0.267 168 L C -0.631 176.236 176.870 -0.004 0.000 1.188 168 L CA 0.001 54.901 54.840 0.100 0.000 0.821 168 L CB 0.393 42.536 42.059 0.140 0.000 1.102 168 L HN -0.032 nan 8.230 nan 0.000 0.470 169 F N 0.489 120.359 119.950 -0.133 0.000 2.467 169 F HA 0.261 4.788 4.527 -0.000 0.000 0.336 169 F C 0.374 176.153 175.800 -0.035 0.000 1.123 169 F CA -0.474 57.412 58.000 -0.190 0.000 0.964 169 F CB 1.898 40.612 39.000 -0.478 0.000 1.136 169 F HN 0.210 nan 8.300 nan 0.000 0.447 170 S N 3.495 119.287 115.700 0.153 0.000 2.410 170 S HA 0.637 5.107 4.470 -0.000 0.000 0.304 170 S C -0.812 173.885 174.600 0.162 0.000 1.095 170 S CA -0.451 57.847 58.200 0.164 0.000 1.089 170 S CB 0.046 63.347 63.200 0.169 0.000 0.968 170 S HN 0.356 nan 8.310 nan 0.000 0.480 171 V N 5.188 125.182 119.914 0.132 0.000 2.483 171 V HA 0.383 4.503 4.120 -0.000 0.000 0.295 171 V C 0.518 176.643 176.094 0.053 0.000 1.035 171 V CA -0.778 61.572 62.300 0.083 0.000 0.896 171 V CB 1.863 33.747 31.823 0.101 0.000 0.986 171 V HN 0.809 nan 8.190 nan 0.000 0.447 172 T N 6.596 121.152 114.554 0.004 0.000 2.752 172 T HA 0.366 4.716 4.350 -0.000 0.000 0.295 172 T C 0.143 174.818 174.700 -0.041 0.000 0.923 172 T CA 0.045 62.136 62.100 -0.016 0.000 1.112 172 T CB -0.110 68.717 68.868 -0.068 0.000 0.884 172 T HN 0.385 nan 8.240 nan 0.000 0.525 173 L N 4.805 126.027 121.223 -0.001 0.000 2.407 173 L HA 0.375 4.715 4.340 -0.000 0.000 0.261 173 L C 1.923 178.805 176.870 0.020 0.000 1.108 173 L CA -0.576 54.268 54.840 0.007 0.000 0.995 173 L CB 0.112 42.190 42.059 0.031 0.000 1.349 173 L HN 0.652 nan 8.230 nan 0.000 0.423 174 R N 1.299 121.788 120.500 -0.017 0.000 2.115 174 R HA -0.199 4.141 4.340 -0.000 0.000 0.239 174 R C 0.785 177.143 176.300 0.097 0.000 1.133 174 R CA 2.210 58.322 56.100 0.020 0.000 0.935 174 R CB 0.186 30.457 30.300 -0.049 0.000 0.853 174 R HN 0.544 nan 8.270 nan 0.000 0.433 175 D N -0.936 119.535 120.400 0.119 0.000 2.328 175 D HA 0.070 4.710 4.640 -0.000 0.000 0.226 175 D C 0.506 176.883 176.300 0.128 0.000 1.066 175 D CA 0.687 54.765 54.000 0.129 0.000 0.861 175 D CB 0.965 41.844 40.800 0.131 0.000 0.912 175 D HN 0.437 nan 8.370 nan 0.000 0.521 176 A N -0.363 122.525 122.820 0.113 0.000 2.343 176 A HA 0.468 4.788 4.320 -0.000 0.000 0.223 176 A C 1.677 179.312 177.584 0.085 0.000 1.214 176 A CA 0.547 52.643 52.037 0.098 0.000 0.900 176 A CB 0.191 19.228 19.000 0.062 0.000 0.942 176 A HN 0.145 nan 8.150 nan 0.000 0.507 177 G N -0.499 108.362 108.800 0.102 0.000 2.198 177 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.260 177 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.260 177 G C -0.070 174.821 174.900 -0.014 0.000 1.025 177 G CA 0.751 45.868 45.100 0.029 0.000 0.769 177 G HN 0.667 nan 8.290 nan 0.000 0.507 178 Q N -1.179 118.633 119.800 0.020 0.000 2.544 178 Q HA 0.775 5.115 4.340 -0.000 0.000 0.291 178 Q C 0.135 176.158 176.000 0.037 0.000 1.068 178 Q CA -0.989 54.825 55.803 0.019 0.000 0.785 178 Q CB 2.142 30.891 28.738 0.018 0.000 1.481 178 Q HN 0.680 nan 8.270 nan 0.000 0.430 179 I N -2.134 118.463 120.570 0.046 0.000 2.569 179 I HA 0.907 5.077 4.170 -0.000 0.000 0.296 179 I C -0.996 175.161 176.117 0.067 0.000 1.028 179 I CA -1.186 60.151 61.300 0.062 0.000 1.082 179 I CB 2.027 40.074 38.000 0.079 0.000 1.264 179 I HN 0.536 nan 8.210 nan 0.000 0.429 180 A N 6.940 129.805 122.820 0.074 0.000 2.271 180 A HA 0.721 5.041 4.320 -0.000 0.000 0.317 180 A C -0.536 177.105 177.584 0.095 0.000 1.245 180 A CA -0.604 51.478 52.037 0.075 0.000 0.857 180 A CB 0.716 19.757 19.000 0.068 0.000 1.175 180 A HN 0.785 nan 8.150 nan 0.000 0.512 181 L N 4.055 125.328 121.223 0.085 0.000 2.283 181 L HA 0.405 4.745 4.340 -0.000 0.000 0.287 181 L C -0.569 176.312 176.870 0.017 0.000 1.073 181 L CA 0.146 55.037 54.840 0.085 0.000 0.822 181 L CB 0.330 42.465 42.059 0.127 0.000 1.186 181 L HN 0.557 nan 8.230 nan 0.000 0.436 182 I N 2.271 122.894 120.570 0.088 0.000 2.474 182 I HA 0.222 4.392 4.170 -0.000 0.000 0.294 182 I C 0.014 176.203 176.117 0.120 0.000 1.005 182 I CA -0.750 60.611 61.300 0.102 0.000 1.113 182 I CB 2.163 40.316 38.000 0.255 0.000 1.289 182 I HN 0.503 nan 8.210 nan 0.000 0.436 183 D N 4.553 124.964 120.400 0.019 0.000 2.417 183 D HA 0.013 4.653 4.640 -0.000 0.000 0.250 183 D C 1.156 177.536 176.300 0.132 0.000 1.166 183 D CA 0.279 54.279 54.000 -0.000 0.000 0.881 183 D CB 1.828 42.555 40.800 -0.122 0.000 1.164 183 D HN 0.812 nan 8.370 nan 0.000 0.467 184 G N 2.901 111.807 108.800 0.177 0.000 2.509 184 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.218 184 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.218 184 G C 1.075 176.010 174.900 0.058 0.000 1.124 184 G CA 0.873 46.148 45.100 0.291 0.000 0.776 184 G HN 0.577 nan 8.290 nan 0.000 0.547 185 A N 0.165 122.862 122.820 -0.205 0.000 1.984 185 A HA 0.212 4.532 4.320 -0.000 0.000 0.203 185 A C 2.452 179.539 177.584 -0.827 0.000 1.292 185 A CA 1.710 53.485 52.037 -0.438 0.000 0.782 185 A CB -0.412 18.469 19.000 -0.197 0.000 0.924 185 A HN 0.365 nan 8.150 nan 0.000 0.475 186 T N -5.253 108.983 114.554 -0.531 0.000 3.043 186 T HA 0.024 4.374 4.350 -0.000 0.000 0.263 186 T C 0.604 175.040 174.700 -0.441 0.000 1.094 186 T CA 1.182 63.022 62.100 -0.434 0.000 1.127 186 T CB -0.543 68.200 68.868 -0.207 0.000 0.905 186 T HN 0.757 nan 8.240 nan 0.000 0.490 187 Y N 0.370 120.575 120.300 -0.160 0.000 4.569 187 Y HA -0.169 4.381 4.550 -0.000 0.000 0.237 187 Y C 0.306 176.120 175.900 -0.145 0.000 1.090 187 Y CA 0.109 58.070 58.100 -0.232 0.000 2.052 187 Y CB -2.708 35.352 38.460 -0.665 0.000 1.621 187 Y HN 0.594 nan 8.280 nan 0.000 0.682 188 E N 1.268 121.452 120.200 -0.027 0.000 2.301 188 E HA 0.429 4.779 4.350 -0.000 0.000 0.275 188 E C -0.057 176.513 176.600 -0.050 0.000 1.030 188 E CA -0.622 55.754 56.400 -0.040 0.000 0.852 188 E CB 0.621 30.269 29.700 -0.087 0.000 1.060 188 E HN 0.358 nan 8.360 nan 0.000 0.401 189 I N 6.147 126.697 120.570 -0.034 0.000 2.389 189 I HA -0.031 4.138 4.170 -0.000 0.000 0.295 189 I C 1.446 177.495 176.117 -0.113 0.000 1.117 189 I CA -0.129 61.146 61.300 -0.041 0.000 1.317 189 I CB 0.461 38.459 38.000 -0.004 0.000 1.431 189 I HN 0.453 nan 8.210 nan 0.000 0.521 190 K N 3.171 123.431 120.400 -0.232 0.000 2.097 190 K HA -0.000 4.320 4.320 -0.000 0.000 0.205 190 K C 0.775 177.256 176.600 -0.198 0.000 1.050 190 K CA 0.730 56.752 56.287 -0.441 0.000 0.938 190 K CB 0.063 31.911 32.500 -1.086 0.000 0.718 190 K HN 0.597 nan 8.250 nan 0.000 0.442 191 S N -0.700 114.954 115.700 -0.077 0.000 2.597 191 S HA 0.306 4.776 4.470 -0.000 0.000 0.274 191 S C -1.897 172.739 174.600 0.059 0.000 1.132 191 S CA -0.860 57.373 58.200 0.056 0.000 0.835 191 S CB 1.619 64.938 63.200 0.198 0.000 1.092 191 S HN -0.148 nan 8.310 nan 0.000 0.457 192 V N 3.941 123.892 119.914 0.063 0.000 2.407 192 V HA 0.539 4.659 4.120 -0.000 0.000 0.291 192 V C -0.716 175.410 176.094 0.053 0.000 1.018 192 V CA -0.456 61.876 62.300 0.053 0.000 0.842 192 V CB 1.090 32.936 31.823 0.038 0.000 0.996 192 V HN 0.769 nan 8.190 nan 0.000 0.426 193 L N 3.927 125.183 121.223 0.055 0.000 2.329 193 L HA 0.603 4.943 4.340 -0.000 0.000 0.279 193 L C -0.432 176.450 176.870 0.020 0.000 1.014 193 L CA -0.821 54.045 54.840 0.043 0.000 0.814 193 L CB 1.919 44.013 42.059 0.059 0.000 1.257 193 L HN 0.490 nan 8.230 nan 0.000 0.424 194 D N 1.087 121.486 120.400 -0.001 0.000 2.351 194 D HA 0.167 4.807 4.640 -0.000 0.000 0.251 194 D C 0.863 177.152 176.300 -0.017 0.000 1.137 194 D CA 0.093 54.077 54.000 -0.027 0.000 0.879 194 D CB 1.877 42.645 40.800 -0.053 0.000 1.181 194 D HN 0.704 nan 8.370 nan 0.000 0.448 195 T N -0.451 114.090 114.554 -0.022 0.000 3.238 195 T HA 0.475 4.825 4.350 -0.000 0.000 0.242 195 T C 0.839 175.525 174.700 -0.024 0.000 0.980 195 T CA 0.328 62.428 62.100 0.000 0.000 1.235 195 T CB 0.594 69.478 68.868 0.026 0.000 1.069 195 T HN 0.580 nan 8.240 nan 0.000 0.407 196 G N -0.439 108.325 108.800 -0.060 0.000 2.347 196 G HA2 0.378 4.338 3.960 -0.000 0.000 0.303 196 G HA3 0.378 4.338 3.960 -0.000 0.000 0.303 196 G C -1.590 173.272 174.900 -0.064 0.000 1.481 196 G CA -1.198 43.831 45.100 -0.120 0.000 0.914 196 G HN 0.407 nan 8.290 nan 0.000 0.638 197 Y N 0.491 120.824 120.300 0.054 0.000 2.683 197 Y HA 0.224 4.774 4.550 -0.000 0.000 0.340 197 Y C 1.637 177.576 175.900 0.065 0.000 1.245 197 Y CA 1.599 59.729 58.100 0.050 0.000 1.485 197 Y CB 0.958 39.456 38.460 0.064 0.000 1.328 197 Y HN 1.974 nan 8.280 nan 0.000 0.603 198 A N 0.831 123.800 122.820 0.249 0.000 3.201 198 A HA -0.234 4.086 4.320 -0.000 0.000 0.260 198 A C 0.293 177.965 177.584 0.146 0.000 1.222 198 A CA 0.403 52.539 52.037 0.165 0.000 1.124 198 A CB -2.212 16.867 19.000 0.131 0.000 1.155 198 A HN 0.789 nan 8.150 nan 0.000 0.924 199 V N 0.228 120.222 119.914 0.133 0.000 2.681 199 V HA 0.211 4.331 4.120 -0.000 0.000 0.306 199 V C 1.297 177.486 176.094 0.159 0.000 1.077 199 V CA 2.042 64.412 62.300 0.117 0.000 1.224 199 V CB 0.760 32.632 31.823 0.082 0.000 0.879 199 V HN 0.743 nan 8.190 nan 0.000 0.494 200 H N 5.586 124.681 119.070 0.043 0.000 2.338 200 H HA 0.476 5.032 4.556 -0.000 0.000 0.291 200 H C 0.320 175.703 175.328 0.092 0.000 0.989 200 H CA 1.245 57.324 56.048 0.051 0.000 1.281 200 H CB 0.546 30.329 29.762 0.035 0.000 1.484 200 H HN 0.748 nan 8.280 nan 0.000 0.576 201 I N -2.047 118.594 120.570 0.118 0.000 3.102 201 I HA 0.594 4.764 4.170 -0.000 0.000 0.310 201 I C -1.112 175.022 176.117 0.028 0.000 1.246 201 I CA -0.911 60.448 61.300 0.098 0.000 0.979 201 I CB 2.629 40.659 38.000 0.050 0.000 1.267 201 I HN -0.094 nan 8.210 nan 0.000 0.451 202 S N 2.165 117.838 115.700 -0.045 0.000 2.532 202 S HA 0.802 5.272 4.470 -0.000 0.000 0.301 202 S C -0.623 173.753 174.600 -0.373 0.000 1.083 202 S CA -0.886 57.266 58.200 -0.079 0.000 1.025 202 S CB 1.489 64.751 63.200 0.102 0.000 1.056 202 S HN 0.502 nan 8.310 nan 0.000 0.494 203 R N 1.206 121.617 120.500 -0.149 0.000 2.771 203 R HA 0.556 4.896 4.340 -0.000 0.000 0.274 203 R C -1.600 174.736 176.300 0.060 0.000 0.987 203 R CA -0.806 55.205 56.100 -0.148 0.000 0.908 203 R CB 1.245 31.450 30.300 -0.158 0.000 1.213 203 R HN 0.431 nan 8.270 nan 0.000 0.468 204 L N 1.253 122.507 121.223 0.052 0.000 2.346 204 L HA 0.409 4.749 4.340 -0.000 0.000 0.274 204 L C 0.830 177.784 176.870 0.139 0.000 1.007 204 L CA -0.489 54.433 54.840 0.136 0.000 0.818 204 L CB 1.852 43.953 42.059 0.070 0.000 1.284 204 L HN 0.815 nan 8.230 nan 0.000 0.424 205 S N 1.185 117.035 115.700 0.250 0.000 2.589 205 S HA 0.233 4.703 4.470 -0.000 0.000 0.265 205 S C 1.343 175.993 174.600 0.082 0.000 1.342 205 S CA 0.147 58.462 58.200 0.192 0.000 1.005 205 S CB 1.032 64.439 63.200 0.345 0.000 0.909 205 S HN 0.726 nan 8.310 nan 0.000 0.555 206 A N 1.862 124.710 122.820 0.047 0.000 1.948 206 A HA -0.091 4.229 4.320 -0.000 0.000 0.220 206 A C 2.461 180.057 177.584 0.021 0.000 1.177 206 A CA 2.113 54.164 52.037 0.023 0.000 0.636 206 A CB -1.596 17.416 19.000 0.020 0.000 0.815 206 A HN 1.410 nan 8.150 nan 0.000 0.449 207 S N -2.347 113.364 115.700 0.019 0.000 2.461 207 S HA 0.336 4.806 4.470 -0.000 0.000 0.228 207 S C 1.570 176.177 174.600 0.012 0.000 1.005 207 S CA 1.224 59.428 58.200 0.007 0.000 0.942 207 S CB -0.227 62.946 63.200 -0.045 0.000 0.776 207 S HN 1.955 nan 8.310 nan 0.000 0.514 208 G N 1.544 110.345 108.800 0.003 0.000 2.176 208 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.232 208 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.232 208 G C 0.851 175.721 174.900 -0.051 0.000 0.986 208 G CA 0.352 45.466 45.100 0.023 0.000 0.643 208 G HN 0.550 nan 8.290 nan 0.000 0.522 209 R N -0.809 119.541 120.500 -0.250 0.000 2.075 209 R HA 0.182 4.522 4.340 -0.000 0.000 0.226 209 R C 0.189 176.134 176.300 -0.592 0.000 1.114 209 R CA 0.756 56.470 56.100 -0.643 0.000 0.972 209 R CB -0.011 29.486 30.300 -1.337 0.000 0.869 209 R HN 0.351 nan 8.270 nan 0.000 0.437 210 Y N 0.552 120.748 120.300 -0.174 0.000 2.330 210 Y HA 0.313 4.863 4.550 -0.000 0.000 0.336 210 Y C -0.444 175.371 175.900 -0.142 0.000 1.036 210 Y CA -1.141 56.834 58.100 -0.209 0.000 1.125 210 Y CB 1.593 39.913 38.460 -0.235 0.000 1.194 210 Y HN -0.008 nan 8.280 nan 0.000 0.469 211 L N 4.769 125.948 121.223 -0.074 0.000 2.287 211 L HA 0.623 4.963 4.340 -0.000 0.000 0.287 211 L C -1.786 174.963 176.870 -0.201 0.000 1.022 211 L CA -0.515 54.309 54.840 -0.025 0.000 0.814 211 L CB 0.068 42.140 42.059 0.022 0.000 1.217 211 L HN 0.366 nan 8.230 nan 0.000 0.420 212 F N 5.305 125.266 119.950 0.020 0.000 2.444 212 F HA 0.626 5.153 4.527 -0.000 0.000 0.342 212 F C 0.095 175.885 175.800 -0.017 0.000 1.121 212 F CA -0.619 57.379 58.000 -0.004 0.000 0.997 212 F CB 1.972 40.949 39.000 -0.038 0.000 1.130 212 F HN 0.405 nan 8.300 nan 0.000 0.454 213 V N 4.728 124.723 119.914 0.136 0.000 2.680 213 V HA 0.750 4.870 4.120 -0.000 0.000 0.309 213 V C -1.308 174.837 176.094 0.086 0.000 1.052 213 V CA -0.723 61.633 62.300 0.092 0.000 0.908 213 V CB 1.893 33.761 31.823 0.075 0.000 1.001 213 V HN 0.770 nan 8.190 nan 0.000 0.431 214 I N 3.916 124.527 120.570 0.069 0.000 2.608 214 I HA 0.895 5.065 4.170 -0.000 0.000 0.295 214 I C 0.370 176.530 176.117 0.072 0.000 1.049 214 I CA -0.252 61.080 61.300 0.053 0.000 1.063 214 I CB 1.872 39.882 38.000 0.016 0.000 1.248 214 I HN 0.988 nan 8.210 nan 0.000 0.424 215 G N 4.852 113.684 108.800 0.053 0.000 2.597 215 G HA2 0.392 4.352 3.960 -0.000 0.000 0.317 215 G HA3 0.392 4.352 3.960 -0.000 0.000 0.317 215 G C 0.223 175.128 174.900 0.009 0.000 1.230 215 G CA -0.667 44.473 45.100 0.066 0.000 0.996 215 G HN 0.712 nan 8.290 nan 0.000 0.490 216 R N -0.339 120.164 120.500 0.006 0.000 2.241 216 R HA -0.062 4.278 4.340 -0.000 0.000 0.224 216 R C 1.274 177.551 176.300 -0.039 0.000 1.101 216 R CA 1.398 57.459 56.100 -0.066 0.000 0.995 216 R CB 0.122 30.393 30.300 -0.048 0.000 0.870 216 R HN 0.656 nan 8.270 nan 0.000 0.463 217 D N -0.790 119.614 120.400 0.005 0.000 2.340 217 D HA 0.025 4.665 4.640 -0.000 0.000 0.220 217 D C 1.088 177.359 176.300 -0.049 0.000 1.039 217 D CA 0.732 54.733 54.000 0.002 0.000 0.866 217 D CB 0.146 40.975 40.800 0.049 0.000 0.913 217 D HN 0.237 nan 8.370 nan 0.000 0.523 218 G N 0.661 109.425 108.800 -0.060 0.000 2.143 218 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.249 218 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.249 218 G C 0.187 175.056 174.900 -0.052 0.000 0.981 218 G CA 0.192 45.239 45.100 -0.089 0.000 0.665 218 G HN 0.584 nan 8.290 nan 0.000 0.528 219 K N 0.907 121.303 120.400 -0.006 0.000 2.349 219 K HA 0.535 4.855 4.320 -0.000 0.000 0.289 219 K C 0.219 176.845 176.600 0.044 0.000 1.064 219 K CA -0.300 56.006 56.287 0.031 0.000 0.947 219 K CB 0.893 33.424 32.500 0.051 0.000 1.007 219 K HN 0.196 nan 8.250 nan 0.000 0.478 220 V N 5.711 125.661 119.914 0.061 0.000 2.398 220 V HA 0.352 4.472 4.120 -0.000 0.000 0.286 220 V C -0.161 175.992 176.094 0.097 0.000 1.026 220 V CA -0.853 61.496 62.300 0.083 0.000 0.868 220 V CB 1.379 33.258 31.823 0.093 0.000 0.982 220 V HN 0.829 nan 8.190 nan 0.000 0.443 221 N N 4.646 123.399 118.700 0.088 0.000 2.321 221 N HA 0.529 5.269 4.740 -0.000 0.000 0.299 221 N C -0.976 174.527 175.510 -0.011 0.000 1.048 221 N CA -0.538 52.547 53.050 0.058 0.000 0.836 221 N CB 2.503 41.018 38.487 0.047 0.000 1.269 221 N HN 0.620 nan 8.380 nan 0.000 0.486 222 M N 3.747 123.298 119.600 -0.080 0.000 2.167 222 M HA 0.474 4.954 4.480 -0.000 0.000 0.333 222 M C -1.643 174.545 176.300 -0.186 0.000 1.030 222 M CA -0.518 54.581 55.300 -0.335 0.000 0.963 222 M CB 0.796 33.147 32.600 -0.415 0.000 1.589 222 M HN 0.454 nan 8.290 nan 0.000 0.431 223 I N 4.128 124.586 120.570 -0.186 0.000 2.389 223 I HA 0.238 4.408 4.170 -0.000 0.000 0.288 223 I C -0.587 175.535 176.117 0.008 0.000 0.999 223 I CA -0.618 60.655 61.300 -0.045 0.000 1.129 223 I CB 1.691 39.684 38.000 -0.013 0.000 1.288 223 I HN 0.588 nan 8.210 nan 0.000 0.444 224 D N 6.949 127.381 120.400 0.052 0.000 2.352 224 D HA 0.163 4.803 4.640 -0.000 0.000 0.245 224 D C 0.767 177.017 176.300 -0.083 0.000 1.224 224 D CA 0.051 54.037 54.000 -0.023 0.000 0.879 224 D CB 1.043 41.873 40.800 0.049 0.000 1.057 224 D HN 0.452 nan 8.370 nan 0.000 0.491 225 L N 2.996 124.142 121.223 -0.128 0.000 2.622 225 L HA -0.002 4.338 4.340 -0.000 0.000 0.233 225 L C 1.169 178.077 176.870 0.064 0.000 1.156 225 L CA 0.042 54.866 54.840 -0.027 0.000 0.866 225 L CB -0.027 42.059 42.059 0.045 0.000 0.980 225 L HN 0.490 nan 8.230 nan 0.000 0.448 226 W N -0.191 120.962 121.300 -0.244 0.000 2.863 226 W HA 0.143 4.803 4.660 -0.000 0.000 0.258 226 W C 1.227 177.609 176.519 -0.228 0.000 1.298 226 W CA -0.753 56.455 57.345 -0.229 0.000 1.451 226 W CB -0.217 29.118 29.460 -0.207 0.000 1.107 226 W HN -0.001 nan 8.180 nan 0.000 0.641 227 M N 0.633 120.229 119.600 -0.006 0.000 2.240 227 M HA 0.000 4.480 4.480 -0.000 0.000 0.317 227 M C 1.613 177.799 176.300 -0.190 0.000 1.087 227 M CA 0.244 55.502 55.300 -0.069 0.000 1.176 227 M CB 0.306 32.873 32.600 -0.054 0.000 1.439 227 M HN -0.245 nan 8.290 nan 0.000 0.452 228 K N 1.145 121.456 120.400 -0.148 0.000 2.034 228 K HA -0.141 4.179 4.320 -0.000 0.000 0.214 228 K C 0.376 176.845 176.600 -0.219 0.000 1.051 228 K CA 1.673 57.857 56.287 -0.172 0.000 0.931 228 K CB 0.153 32.597 32.500 -0.092 0.000 0.715 228 K HN 0.642 nan 8.250 nan 0.000 0.446 229 E N 0.465 120.580 120.200 -0.142 0.000 2.255 229 E HA 0.209 4.558 4.350 -0.000 0.000 0.245 229 E C -2.604 173.948 176.600 -0.079 0.000 0.909 229 E CA -2.640 53.708 56.400 -0.087 0.000 0.747 229 E CB 1.167 30.860 29.700 -0.013 0.000 1.215 229 E HN -0.017 nan 8.360 nan 0.000 0.424 230 P HA 0.037 nan 4.420 nan 0.000 0.265 230 P C -0.545 176.768 177.300 0.023 0.000 1.193 230 P CA 0.083 63.148 63.100 -0.058 0.000 0.765 230 P CB 1.291 32.952 31.700 -0.065 0.000 0.823 231 T N 0.733 115.297 114.554 0.016 0.000 2.665 231 T HA 0.306 4.656 4.350 -0.000 0.000 0.303 231 T C -0.991 173.723 174.700 0.023 0.000 1.334 231 T CA -0.452 61.660 62.100 0.020 0.000 1.011 231 T CB 0.465 69.332 68.868 -0.001 0.000 1.573 231 T HN 0.141 nan 8.240 nan 0.000 0.492 232 T N 2.238 116.806 114.554 0.023 0.000 2.769 232 T HA 0.287 4.637 4.350 -0.000 0.000 0.293 232 T C 1.575 176.350 174.700 0.125 0.000 0.931 232 T CA 0.246 62.384 62.100 0.063 0.000 1.139 232 T CB 0.385 69.304 68.868 0.086 0.000 0.881 232 T HN 0.604 nan 8.240 nan 0.000 0.532 233 V N 1.025 121.000 119.914 0.101 0.000 3.590 233 V HA 0.708 4.828 4.120 -0.000 0.000 0.265 233 V C 0.621 176.768 176.094 0.089 0.000 1.239 233 V CA 0.289 62.658 62.300 0.115 0.000 1.117 233 V CB -0.719 31.149 31.823 0.075 0.000 0.818 233 V HN 0.899 nan 8.190 nan 0.000 0.451 234 A N 0.731 123.589 122.820 0.064 0.000 2.605 234 A HA 0.766 5.085 4.320 -0.000 0.000 0.294 234 A C -0.891 176.723 177.584 0.049 0.000 1.062 234 A CA -0.221 51.809 52.037 -0.012 0.000 0.682 234 A CB 1.483 20.505 19.000 0.036 0.000 1.278 234 A HN 0.654 nan 8.150 nan 0.000 0.410 235 E N 0.747 120.975 120.200 0.046 0.000 2.433 235 E HA 0.876 5.226 4.350 -0.000 0.000 0.278 235 E C -1.321 175.396 176.600 0.196 0.000 0.976 235 E CA -0.763 55.707 56.400 0.116 0.000 0.793 235 E CB 2.130 31.900 29.700 0.116 0.000 1.311 235 E HN 0.928 nan 8.360 nan 0.000 0.460 236 I N -0.276 120.400 120.570 0.177 0.000 3.021 236 I HA 0.374 4.544 4.170 -0.000 0.000 0.305 236 I C -2.083 174.121 176.117 0.146 0.000 1.434 236 I CA -0.797 60.623 61.300 0.200 0.000 0.969 236 I CB 2.381 40.495 38.000 0.189 0.000 1.328 236 I HN 0.660 nan 8.210 nan 0.000 0.486 237 K N 4.097 124.604 120.400 0.178 0.000 2.345 237 K HA 0.534 4.854 4.320 -0.000 0.000 0.255 237 K C -0.246 176.420 176.600 0.110 0.000 0.934 237 K CA -0.518 55.832 56.287 0.104 0.000 0.801 237 K CB 1.473 34.044 32.500 0.118 0.000 1.137 237 K HN 0.553 nan 8.250 nan 0.000 0.424 238 I N -0.176 120.347 120.570 -0.079 0.000 4.081 238 I HA 0.502 4.672 4.170 -0.000 0.000 0.333 238 I C 0.298 176.265 176.117 -0.250 0.000 1.413 238 I CA -0.226 61.049 61.300 -0.042 0.000 1.110 238 I CB 1.177 39.161 38.000 -0.028 0.000 1.082 238 I HN 0.644 nan 8.210 nan 0.000 0.402 239 G N -0.214 108.150 108.800 -0.727 0.000 2.323 239 G HA2 0.264 4.224 3.960 -0.000 0.000 0.291 239 G HA3 0.264 4.224 3.960 -0.000 0.000 0.291 239 G C -0.348 174.199 174.900 -0.588 0.000 1.278 239 G CA 0.127 44.811 45.100 -0.693 0.000 0.860 239 G HN -0.155 nan 8.290 nan 0.000 0.504 240 S N -0.406 115.194 115.700 -0.167 0.000 2.441 240 S HA 0.270 4.740 4.470 -0.000 0.000 0.224 240 S C 0.433 175.076 174.600 0.071 0.000 1.043 240 S CA 0.815 59.038 58.200 0.038 0.000 0.948 240 S CB 0.060 63.452 63.200 0.319 0.000 0.810 240 S HN 0.484 nan 8.310 nan 0.000 0.504 241 E N -0.009 120.263 120.200 0.121 0.000 2.256 241 E HA 0.726 5.076 4.350 -0.000 0.000 0.268 241 E C -1.065 175.535 176.600 -0.001 0.000 0.877 241 E CA -0.540 55.916 56.400 0.092 0.000 0.757 241 E CB 2.243 32.082 29.700 0.231 0.000 1.183 241 E HN 0.277 nan 8.360 nan 0.000 0.418 242 A N 2.047 124.765 122.820 -0.170 0.000 2.609 242 A HA 0.682 5.002 4.320 -0.000 0.000 0.291 242 A C -0.394 176.934 177.584 -0.426 0.000 1.096 242 A CA -0.632 51.246 52.037 -0.265 0.000 0.684 242 A CB 1.498 20.415 19.000 -0.139 0.000 1.282 242 A HN 0.496 nan 8.150 nan 0.000 0.412 243 R N -0.408 119.842 120.500 -0.416 0.000 2.635 243 R HA 0.206 4.546 4.340 -0.000 0.000 0.241 243 R C 0.277 176.501 176.300 -0.126 0.000 0.941 243 R CA 1.102 56.987 56.100 -0.357 0.000 1.014 243 R CB 0.227 30.223 30.300 -0.507 0.000 1.517 243 R HN 0.951 nan 8.270 nan 0.000 0.594 244 S N 0.017 115.649 115.700 -0.114 0.000 2.568 244 S HA 0.781 5.251 4.470 -0.000 0.000 0.293 244 S C -0.330 174.196 174.600 -0.124 0.000 1.089 244 S CA -0.698 57.450 58.200 -0.088 0.000 0.945 244 S CB 2.437 65.585 63.200 -0.087 0.000 1.077 244 S HN 0.147 nan 8.310 nan 0.000 0.485 245 I N 0.523 121.004 120.570 -0.149 0.000 2.913 245 I HA 0.786 4.956 4.170 -0.000 0.000 0.302 245 I C -1.888 174.068 176.117 -0.267 0.000 1.246 245 I CA -0.324 60.849 61.300 -0.213 0.000 1.010 245 I CB 2.229 40.142 38.000 -0.146 0.000 1.259 245 I HN 0.922 nan 8.210 nan 0.000 0.434 246 E N 2.822 122.792 120.200 -0.384 0.000 2.407 246 E HA 0.536 4.886 4.350 -0.000 0.000 0.279 246 E C -1.519 174.837 176.600 -0.406 0.000 1.012 246 E CA -0.445 55.750 56.400 -0.343 0.000 0.800 246 E CB 1.977 31.510 29.700 -0.277 0.000 1.276 246 E HN 0.627 nan 8.360 nan 0.000 0.452 247 T N -0.566 113.855 114.554 -0.222 0.000 2.940 247 T HA 0.640 4.990 4.350 -0.000 0.000 0.288 247 T C -0.139 174.627 174.700 0.111 0.000 1.033 247 T CA -0.566 61.437 62.100 -0.162 0.000 1.033 247 T CB 1.125 69.872 68.868 -0.201 0.000 1.079 247 T HN 0.547 nan 8.240 nan 0.000 0.496 248 S N 1.020 116.764 115.700 0.073 0.000 2.525 248 S HA 0.250 4.720 4.470 -0.000 0.000 0.285 248 S C 0.183 174.741 174.600 -0.071 0.000 1.283 248 S CA -0.670 57.438 58.200 -0.153 0.000 1.072 248 S CB 0.241 63.191 63.200 -0.418 0.000 0.867 248 S HN 0.819 nan 8.310 nan 0.000 0.492 249 K N 1.131 121.459 120.400 -0.121 0.000 2.564 249 K HA 0.242 4.562 4.320 -0.000 0.000 0.205 249 K C -0.234 176.247 176.600 -0.198 0.000 1.053 249 K CA -0.297 55.877 56.287 -0.187 0.000 1.072 249 K CB 0.477 32.754 32.500 -0.372 0.000 0.822 249 K HN 0.669 nan 8.250 nan 0.000 0.497 250 M N 2.029 121.607 119.600 -0.036 0.000 2.185 250 M HA 0.122 4.602 4.480 -0.000 0.000 0.357 250 M C -0.255 176.142 176.300 0.161 0.000 1.260 250 M CA -0.011 55.310 55.300 0.034 0.000 1.124 250 M CB 0.629 33.243 32.600 0.024 0.000 1.600 250 M HN -0.018 nan 8.290 nan 0.000 0.467 251 E N 3.248 123.511 120.200 0.105 0.000 2.558 251 E HA 0.274 4.624 4.350 -0.000 0.000 0.255 251 E C 0.817 177.483 176.600 0.110 0.000 0.968 251 E CA 1.437 57.891 56.400 0.089 0.000 0.939 251 E CB 0.089 29.818 29.700 0.048 0.000 0.921 251 E HN 1.014 nan 8.360 nan 0.000 0.477 252 G N 3.526 112.345 108.800 0.031 0.000 2.213 252 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.226 252 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.226 252 G C 0.113 174.839 174.900 -0.290 0.000 0.992 252 G CA 0.027 45.050 45.100 -0.129 0.000 0.632 252 G HN 0.667 nan 8.290 nan 0.000 0.511 253 W N 1.642 122.936 121.300 -0.010 0.000 2.818 253 W HA 0.623 5.283 4.660 -0.000 0.000 0.403 253 W C 0.363 176.838 176.519 -0.074 0.000 0.991 253 W CA -0.564 56.771 57.345 -0.018 0.000 1.925 253 W CB 0.571 30.091 29.460 0.100 0.000 1.166 253 W HN 0.123 nan 8.180 nan 0.000 0.605 254 E N 1.455 121.697 120.200 0.071 0.000 2.585 254 E HA -0.086 4.264 4.350 -0.000 0.000 0.252 254 E C 0.676 177.280 176.600 0.006 0.000 0.981 254 E CA 1.217 57.636 56.400 0.032 0.000 0.943 254 E CB -0.049 29.658 29.700 0.011 0.000 0.923 254 E HN 0.074 nan 8.360 nan 0.000 0.486 255 D N 2.082 122.494 120.400 0.021 0.000 3.079 255 D HA -0.208 4.432 4.640 -0.000 0.000 0.214 255 D C 0.811 177.071 176.300 -0.067 0.000 1.145 255 D CA 0.774 54.791 54.000 0.028 0.000 0.958 255 D CB -0.142 40.698 40.800 0.068 0.000 1.117 255 D HN 0.378 nan 8.370 nan 0.000 0.416 256 K N -0.701 119.626 120.400 -0.121 0.000 2.076 256 K HA -0.003 4.317 4.320 -0.000 0.000 0.204 256 K C 0.812 177.059 176.600 -0.587 0.000 1.051 256 K CA 1.245 57.326 56.287 -0.343 0.000 0.949 256 K CB 0.141 32.500 32.500 -0.236 0.000 0.726 256 K HN 0.305 nan 8.250 nan 0.000 0.443 257 Y N -1.326 118.911 120.300 -0.104 0.000 2.581 257 Y HA 0.550 5.100 4.550 -0.000 0.000 0.345 257 Y C -0.545 175.250 175.900 -0.175 0.000 1.036 257 Y CA -1.581 56.437 58.100 -0.136 0.000 1.042 257 Y CB 1.946 40.291 38.460 -0.193 0.000 1.289 257 Y HN -0.084 nan 8.280 nan 0.000 0.471 258 A N 1.925 124.707 122.820 -0.062 0.000 2.435 258 A HA 0.847 5.167 4.320 -0.000 0.000 0.304 258 A C -1.783 175.550 177.584 -0.419 0.000 1.064 258 A CA -0.746 51.043 52.037 -0.414 0.000 0.727 258 A CB 1.474 20.034 19.000 -0.734 0.000 1.284 258 A HN 0.760 nan 8.150 nan 0.000 0.415 259 I N 0.913 121.084 120.570 -0.664 0.000 2.582 259 I HA 0.757 4.927 4.170 -0.000 0.000 0.292 259 I C -0.335 175.520 176.117 -0.438 0.000 1.066 259 I CA -0.651 60.261 61.300 -0.647 0.000 1.053 259 I CB 1.873 39.148 38.000 -1.208 0.000 1.241 259 I HN 0.872 nan 8.210 nan 0.000 0.421 260 A N 4.844 127.512 122.820 -0.253 0.000 2.365 260 A HA 0.875 5.195 4.320 -0.000 0.000 0.318 260 A C -0.525 177.003 177.584 -0.094 0.000 1.091 260 A CA -0.449 51.488 52.037 -0.167 0.000 0.763 260 A CB 1.538 20.472 19.000 -0.111 0.000 1.248 260 A HN 0.853 nan 8.150 nan 0.000 0.442 261 G N 0.079 108.830 108.800 -0.083 0.000 2.461 261 G HA2 0.720 4.680 3.960 -0.000 0.000 0.323 261 G HA3 0.720 4.680 3.960 -0.000 0.000 0.323 261 G C -0.350 174.548 174.900 -0.003 0.000 1.229 261 G CA 0.169 45.263 45.100 -0.010 0.000 0.941 261 G HN 1.419 nan 8.290 nan 0.000 0.477 262 A N 1.204 124.049 122.820 0.041 0.000 2.330 262 A HA 0.709 5.029 4.320 -0.000 0.000 0.329 262 A C -0.079 177.641 177.584 0.227 0.000 1.135 262 A CA -0.655 51.414 52.037 0.054 0.000 0.817 262 A CB 1.144 20.138 19.000 -0.009 0.000 1.269 262 A HN 0.649 nan 8.150 nan 0.000 0.469 263 Y N -0.594 119.742 120.300 0.060 0.000 2.436 263 Y HA 0.167 4.717 4.550 -0.000 0.000 0.288 263 Y C 0.452 176.495 175.900 0.238 0.000 1.112 263 Y CA -0.009 58.169 58.100 0.131 0.000 1.220 263 Y CB 0.382 38.926 38.460 0.140 0.000 1.073 263 Y HN 0.659 nan 8.280 nan 0.000 0.552 264 W N 1.623 123.027 121.300 0.172 0.000 3.405 264 W HA 0.296 4.956 4.660 -0.000 0.000 0.329 264 W C -3.238 173.306 176.519 0.042 0.000 1.142 264 W CA -2.094 55.314 57.345 0.104 0.000 1.235 264 W CB 2.121 31.654 29.460 0.122 0.000 1.341 264 W HN -0.174 nan 8.180 nan 0.000 0.481 265 P HA 0.182 nan 4.420 nan 0.000 0.273 265 P C -2.552 174.415 177.300 -0.555 0.000 1.250 265 P CA -0.987 61.318 63.100 -1.325 0.000 0.793 265 P CB 0.130 31.254 31.700 -0.960 0.000 1.011 266 P HA 0.117 nan 4.420 nan 0.000 0.277 266 P C -0.732 176.460 177.300 -0.180 0.000 1.354 266 P CA 0.417 63.400 63.100 -0.195 0.000 0.891 266 P CB -0.246 31.376 31.700 -0.130 0.000 1.058 267 Q N 2.950 122.680 119.800 -0.118 0.000 2.829 267 Q HA 0.452 4.792 4.340 -0.000 0.000 0.296 267 Q C -1.762 174.207 176.000 -0.052 0.000 0.893 267 Q CA -1.020 54.692 55.803 -0.151 0.000 0.772 267 Q CB 0.922 29.538 28.738 -0.205 0.000 1.489 267 Q HN 0.310 nan 8.270 nan 0.000 0.420 268 Y N -1.683 118.561 120.300 -0.093 0.000 2.576 268 Y HA 0.862 5.412 4.550 -0.000 0.000 0.346 268 Y C -1.409 174.421 175.900 -0.116 0.000 1.018 268 Y CA -1.177 56.855 58.100 -0.112 0.000 1.050 268 Y CB 1.719 40.101 38.460 -0.129 0.000 1.280 268 Y HN 0.483 nan 8.280 nan 0.000 0.474 269 V N 3.107 123.057 119.914 0.060 0.000 2.656 269 V HA 0.495 4.615 4.120 -0.000 0.000 0.307 269 V C -0.447 175.634 176.094 -0.021 0.000 1.051 269 V CA -0.987 61.296 62.300 -0.028 0.000 0.893 269 V CB 1.844 33.631 31.823 -0.059 0.000 0.999 269 V HN 0.789 nan 8.190 nan 0.000 0.426 270 I N 4.541 125.086 120.570 -0.042 0.000 2.336 270 I HA 0.541 4.711 4.170 -0.000 0.000 0.292 270 I C -0.150 175.911 176.117 -0.092 0.000 0.991 270 I CA -0.064 61.179 61.300 -0.096 0.000 1.227 270 I CB 1.521 39.449 38.000 -0.120 0.000 1.366 270 I HN 0.518 nan 8.210 nan 0.000 0.466 271 M N 4.508 124.075 119.600 -0.055 0.000 2.662 271 M HA 0.345 4.825 4.480 -0.000 0.000 0.310 271 M C -0.391 175.983 176.300 0.122 0.000 1.204 271 M CA -0.844 54.438 55.300 -0.030 0.000 0.891 271 M CB 1.584 34.134 32.600 -0.084 0.000 1.732 271 M HN 0.417 nan 8.290 nan 0.000 0.467 272 D N 1.051 121.482 120.400 0.053 0.000 2.458 272 D HA 0.012 4.652 4.640 -0.000 0.000 0.243 272 D C 0.881 177.180 176.300 -0.001 0.000 1.146 272 D CA 0.479 54.502 54.000 0.038 0.000 0.877 272 D CB 1.401 42.188 40.800 -0.021 0.000 1.176 272 D HN 0.838 nan 8.370 nan 0.000 0.461 273 G N 3.258 112.014 108.800 -0.073 0.000 2.679 273 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.212 273 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.212 273 G C 1.188 176.035 174.900 -0.089 0.000 1.137 273 G CA 0.323 45.398 45.100 -0.041 0.000 0.787 273 G HN 0.607 nan 8.290 nan 0.000 0.534 274 E N -1.103 119.006 120.200 -0.152 0.000 2.399 274 E HA 0.013 4.362 4.350 -0.000 0.000 0.205 274 E C 2.284 178.781 176.600 -0.171 0.000 0.906 274 E CA 0.932 57.159 56.400 -0.287 0.000 0.998 274 E CB 0.582 30.183 29.700 -0.166 0.000 1.002 274 E HN 0.459 nan 8.360 nan 0.000 0.501 275 T N -2.194 112.355 114.554 -0.009 0.000 2.975 275 T HA 0.240 4.590 4.350 -0.000 0.000 0.257 275 T C 1.106 175.976 174.700 0.283 0.000 1.003 275 T CA -0.258 61.934 62.100 0.153 0.000 0.932 275 T CB 0.387 69.432 68.868 0.295 0.000 1.087 275 T HN 0.120 nan 8.240 nan 0.000 0.512 276 L N 0.096 121.385 121.223 0.111 0.000 4.937 276 L HA -0.165 4.174 4.340 -0.000 0.000 0.422 276 L C 0.401 177.063 176.870 -0.346 0.000 1.059 276 L CA 0.604 55.460 54.840 0.027 0.000 1.111 276 L CB -1.771 40.376 42.059 0.146 0.000 2.033 276 L HN 0.555 nan 8.230 nan 0.000 0.708 277 E N 3.568 123.443 120.200 -0.543 0.000 2.558 277 E HA 0.014 4.364 4.350 -0.000 0.000 0.255 277 E C -1.887 174.336 176.600 -0.628 0.000 0.968 277 E CA -1.214 54.472 56.400 -1.191 0.000 0.939 277 E CB 0.634 29.834 29.700 -0.834 0.000 0.921 277 E HN 0.078 nan 8.360 nan 0.000 0.477 278 P HA -0.017 nan 4.420 nan 0.000 0.271 278 P C -0.560 176.600 177.300 -0.232 0.000 1.233 278 P CA 0.032 62.944 63.100 -0.312 0.000 0.764 278 P CB 1.069 32.619 31.700 -0.250 0.000 0.825 279 K N 1.921 122.233 120.400 -0.146 0.000 2.329 279 K HA 0.151 4.471 4.320 -0.000 0.000 0.198 279 K C 0.515 177.059 176.600 -0.094 0.000 1.085 279 K CA 0.745 56.973 56.287 -0.098 0.000 0.961 279 K CB 0.328 32.809 32.500 -0.032 0.000 0.971 279 K HN 0.303 nan 8.250 nan 0.000 0.502 280 K N 0.837 121.174 120.400 -0.104 0.000 2.553 280 K HA 0.412 4.732 4.320 -0.000 0.000 0.250 280 K C -1.594 174.927 176.600 -0.132 0.000 0.953 280 K CA -0.132 56.091 56.287 -0.106 0.000 0.800 280 K CB 1.117 33.562 32.500 -0.093 0.000 1.243 280 K HN -0.118 nan 8.250 nan 0.000 0.435 281 I N 3.975 124.450 120.570 -0.158 0.000 2.377 281 I HA 0.381 4.551 4.170 -0.000 0.000 0.293 281 I C -0.365 175.562 176.117 -0.318 0.000 0.987 281 I CA -0.794 60.376 61.300 -0.217 0.000 1.185 281 I CB 1.732 39.639 38.000 -0.156 0.000 1.341 281 I HN 0.359 nan 8.210 nan 0.000 0.455 282 Q N 4.350 123.805 119.800 -0.576 0.000 2.330 282 Q HA 0.343 4.683 4.340 -0.000 0.000 0.269 282 Q C -0.542 175.136 176.000 -0.536 0.000 1.022 282 Q CA -0.496 54.927 55.803 -0.634 0.000 0.796 282 Q CB 2.378 30.500 28.738 -1.027 0.000 1.271 282 Q HN 0.684 nan 8.270 nan 0.000 0.450 283 S N 0.889 116.412 115.700 -0.294 0.000 2.576 283 S HA 0.211 4.681 4.470 -0.000 0.000 0.276 283 S C 0.846 175.362 174.600 -0.140 0.000 1.339 283 S CA 0.190 58.271 58.200 -0.199 0.000 1.039 283 S CB 0.457 63.583 63.200 -0.123 0.000 0.902 283 S HN 0.663 nan 8.310 nan 0.000 0.516 284 T N 1.620 116.121 114.554 -0.088 0.000 3.085 284 T HA 0.336 4.686 4.350 -0.000 0.000 0.264 284 T C 0.473 175.158 174.700 -0.025 0.000 1.019 284 T CA -0.435 61.652 62.100 -0.021 0.000 0.910 284 T CB -0.146 68.733 68.868 0.019 0.000 1.059 284 T HN 0.580 nan 8.240 nan 0.000 0.542 285 R N 0.947 121.434 120.500 -0.022 0.000 2.623 285 R HA 0.538 4.878 4.340 -0.000 0.000 0.271 285 R C 0.784 177.107 176.300 0.038 0.000 1.043 285 R CA 0.830 56.931 56.100 0.001 0.000 1.083 285 R CB 0.422 30.783 30.300 0.102 0.000 0.974 285 R HN 0.574 nan 8.270 nan 0.000 0.436 286 G N 1.423 110.190 108.800 -0.055 0.000 2.356 286 G HA2 0.167 4.127 3.960 -0.000 0.000 0.281 286 G HA3 0.167 4.127 3.960 -0.000 0.000 0.281 286 G C -1.528 173.372 174.900 0.001 0.000 1.246 286 G CA -0.903 44.234 45.100 0.062 0.000 0.889 286 G HN 0.249 nan 8.290 nan 0.000 0.486 287 M N 1.996 121.630 119.600 0.057 0.000 2.318 287 M HA 0.403 4.883 4.480 -0.000 0.000 0.347 287 M C 0.849 177.158 176.300 0.015 0.000 1.175 287 M CA -0.677 54.653 55.300 0.050 0.000 1.075 287 M CB 0.601 33.241 32.600 0.067 0.000 1.614 287 M HN 0.819 nan 8.290 nan 0.000 0.456 288 T N -0.062 114.491 114.554 -0.002 0.000 2.926 288 T HA 0.095 4.445 4.350 -0.000 0.000 0.307 288 T C 1.049 175.724 174.700 -0.041 0.000 1.059 288 T CA -0.269 61.811 62.100 -0.034 0.000 1.122 288 T CB 0.241 69.062 68.868 -0.079 0.000 0.972 288 T HN 0.685 nan 8.240 nan 0.000 0.545 289 Y N 2.044 122.304 120.300 -0.067 0.000 2.242 289 Y HA -0.072 4.478 4.550 -0.000 0.000 0.291 289 Y C 1.769 177.645 175.900 -0.040 0.000 1.137 289 Y CA 1.596 59.664 58.100 -0.052 0.000 1.181 289 Y CB -0.621 37.800 38.460 -0.064 0.000 0.989 289 Y HN 0.695 nan 8.280 nan 0.000 0.527 290 D N -0.202 119.453 120.400 -1.242 0.000 2.259 290 D HA -0.090 4.549 4.640 -0.000 0.000 0.216 290 D C 1.461 177.525 176.300 -0.394 0.000 0.961 290 D CA 1.293 54.720 54.000 -0.955 0.000 0.878 290 D CB -0.698 39.406 40.800 -1.161 0.000 1.009 290 D HN 0.599 nan 8.370 nan 0.000 0.490 291 E N -0.218 119.802 120.200 -0.300 0.000 2.447 291 E HA 0.066 4.416 4.350 -0.000 0.000 0.195 291 E C -0.189 176.355 176.600 -0.093 0.000 1.028 291 E CA -0.096 56.213 56.400 -0.151 0.000 0.876 291 E CB 0.159 29.794 29.700 -0.108 0.000 0.885 291 E HN 0.176 nan 8.360 nan 0.000 0.500 292 Q N 1.250 120.994 119.800 -0.093 0.000 2.454 292 Q HA -0.166 4.174 4.340 -0.000 0.000 0.341 292 Q C -1.014 174.987 176.000 0.001 0.000 1.437 292 Q CA 0.597 56.380 55.803 -0.033 0.000 0.935 292 Q CB -0.961 27.762 28.738 -0.025 0.000 1.164 292 Q HN 0.200 nan 8.270 nan 0.000 0.373 293 E N 0.562 120.770 120.200 0.013 0.000 2.266 293 E HA 0.239 4.589 4.350 -0.000 0.000 0.268 293 E C -0.719 175.939 176.600 0.095 0.000 0.879 293 E CA -0.981 55.449 56.400 0.051 0.000 0.762 293 E CB 1.008 30.725 29.700 0.028 0.000 1.199 293 E HN 0.243 nan 8.360 nan 0.000 0.422 294 Y N 2.745 123.055 120.300 0.017 0.000 2.712 294 Y HA -0.023 4.527 4.550 -0.000 0.000 0.333 294 Y C -0.259 175.675 175.900 0.057 0.000 1.225 294 Y CA 0.783 58.904 58.100 0.035 0.000 1.499 294 Y CB 0.354 38.824 38.460 0.017 0.000 1.288 294 Y HN 0.385 nan 8.280 nan 0.000 0.575 295 H N 8.597 127.207 119.070 -0.767 0.000 2.800 295 H HA 0.285 4.841 4.556 -0.000 0.000 0.322 295 H C -2.271 172.559 175.328 -0.829 0.000 0.979 295 H CA -2.447 53.269 56.048 -0.552 0.000 1.277 295 H CB 2.239 31.838 29.762 -0.271 0.000 1.484 295 H HN 0.488 nan 8.280 nan 0.000 0.512 296 P HA 0.062 nan 4.420 nan 0.000 0.241 296 P C -0.313 177.081 177.300 0.155 0.000 1.191 296 P CA 0.550 63.562 63.100 -0.147 0.000 0.771 296 P CB 0.689 32.448 31.700 0.097 0.000 0.929 297 E N -0.229 120.185 120.200 0.357 0.000 4.139 297 E HA 0.224 4.574 4.350 -0.000 0.000 0.227 297 E C -2.674 174.048 176.600 0.204 0.000 1.187 297 E CA -1.519 55.104 56.400 0.371 0.000 1.324 297 E CB 0.691 30.647 29.700 0.426 0.000 1.207 297 E HN 0.203 nan 8.360 nan 0.000 0.422 298 P HA 0.110 nan 4.420 nan 0.000 0.279 298 P C -0.507 176.759 177.300 -0.057 0.000 1.318 298 P CA -0.201 62.805 63.100 -0.157 0.000 0.819 298 P CB 0.418 32.013 31.700 -0.176 0.000 0.927 299 R N 1.913 122.369 120.500 -0.073 0.000 2.543 299 R HA 0.281 4.621 4.340 -0.000 0.000 0.277 299 R C -0.159 176.152 176.300 0.018 0.000 1.074 299 R CA -0.655 55.417 56.100 -0.046 0.000 1.076 299 R CB 0.525 30.623 30.300 -0.337 0.000 0.993 299 R HN 0.225 nan 8.270 nan 0.000 0.459 300 V N 3.389 123.387 119.914 0.139 0.000 2.432 300 V HA 0.215 4.335 4.120 -0.000 0.000 0.271 300 V C 0.729 176.942 176.094 0.198 0.000 1.046 300 V CA 0.122 62.496 62.300 0.124 0.000 0.945 300 V CB 0.857 32.743 31.823 0.106 0.000 0.992 300 V HN 0.994 nan 8.190 nan 0.000 0.471 301 A N 5.124 128.008 122.820 0.108 0.000 3.748 301 A HA 0.871 5.191 4.320 -0.000 0.000 0.180 301 A C 0.970 178.544 177.584 -0.016 0.000 1.758 301 A CA 0.240 52.328 52.037 0.085 0.000 1.736 301 A CB -0.446 18.567 19.000 0.022 0.000 1.559 301 A HN 1.076 nan 8.150 nan 0.000 0.575 302 A N -0.544 122.231 122.820 -0.075 0.000 2.498 302 A HA 0.505 4.825 4.320 -0.000 0.000 0.239 302 A C -0.290 177.246 177.584 -0.079 0.000 1.068 302 A CA 0.310 52.312 52.037 -0.058 0.000 0.766 302 A CB -0.539 18.461 19.000 0.001 0.000 1.003 302 A HN 0.497 nan 8.150 nan 0.000 0.497 303 I N 2.207 122.700 120.570 -0.128 0.000 2.436 303 I HA 0.380 4.550 4.170 -0.000 0.000 0.289 303 I C -0.814 175.185 176.117 -0.196 0.000 1.010 303 I CA -0.389 60.785 61.300 -0.209 0.000 1.098 303 I CB 1.608 39.438 38.000 -0.284 0.000 1.266 303 I HN 0.470 nan 8.210 nan 0.000 0.434 304 L N 4.937 126.015 121.223 -0.242 0.000 2.235 304 L HA 0.883 5.223 4.340 -0.000 0.000 0.260 304 L C -0.219 176.594 176.870 -0.096 0.000 1.025 304 L CA -0.505 54.227 54.840 -0.180 0.000 0.836 304 L CB 1.821 43.728 42.059 -0.254 0.000 1.395 304 L HN 0.654 nan 8.230 nan 0.000 0.443 305 A N 0.001 122.786 122.820 -0.058 0.000 2.356 305 A HA 0.684 5.004 4.320 -0.000 0.000 0.310 305 A C -0.595 176.879 177.584 -0.184 0.000 1.075 305 A CA -0.456 51.554 52.037 -0.045 0.000 0.746 305 A CB 1.510 20.495 19.000 -0.025 0.000 1.221 305 A HN 0.517 nan 8.150 nan 0.000 0.443 306 S N 0.585 116.172 115.700 -0.188 0.000 2.576 306 S HA 0.235 4.705 4.470 -0.000 0.000 0.276 306 S C 0.404 174.892 174.600 -0.188 0.000 1.339 306 S CA -0.198 57.926 58.200 -0.126 0.000 1.039 306 S CB 0.089 63.208 63.200 -0.136 0.000 0.902 306 S HN 0.701 nan 8.310 nan 0.000 0.516 307 H N 3.061 122.159 119.070 0.047 0.000 2.652 307 H HA 0.155 4.711 4.556 -0.000 0.000 0.274 307 H C 0.068 175.387 175.328 -0.015 0.000 1.021 307 H CA 0.245 56.313 56.048 0.033 0.000 1.187 307 H CB 0.313 30.115 29.762 0.066 0.000 1.505 307 H HN 0.702 nan 8.280 nan 0.000 0.530 308 Y N 0.612 120.916 120.300 0.007 0.000 2.522 308 Y HA 0.225 4.775 4.550 -0.000 0.000 0.277 308 Y C 0.837 176.690 175.900 -0.078 0.000 1.104 308 Y CA 0.399 58.481 58.100 -0.030 0.000 1.260 308 Y CB 0.889 39.312 38.460 -0.062 0.000 1.151 308 Y HN -0.132 nan 8.280 nan 0.000 0.539 309 R N -0.276 120.214 120.500 -0.017 0.000 2.836 309 R HA 0.321 4.661 4.340 -0.000 0.000 0.269 309 R C -2.752 173.350 176.300 -0.329 0.000 1.010 309 R CA -2.101 53.909 56.100 -0.151 0.000 0.930 309 R CB 1.462 31.662 30.300 -0.167 0.000 1.218 309 R HN -0.298 nan 8.270 nan 0.000 0.473 310 P HA 0.105 nan 4.420 nan 0.000 0.237 310 P C -1.268 175.059 177.300 -1.622 0.000 1.788 310 P CA 0.262 62.694 63.100 -1.115 0.000 1.061 310 P CB 0.193 31.137 31.700 -1.261 0.000 1.967 311 E N 1.013 120.587 120.200 -1.043 0.000 2.367 311 E HA 0.509 4.859 4.350 -0.000 0.000 0.273 311 E C -0.934 175.399 176.600 -0.446 0.000 0.903 311 E CA -0.780 55.173 56.400 -0.746 0.000 0.764 311 E CB 1.415 30.863 29.700 -0.421 0.000 1.252 311 E HN 0.073 nan 8.360 nan 0.000 0.446 312 F N 1.207 121.061 119.950 -0.160 0.000 2.425 312 F HA 0.463 4.990 4.527 -0.000 0.000 0.331 312 F C 0.199 175.824 175.800 -0.292 0.000 1.085 312 F CA -0.789 57.101 58.000 -0.183 0.000 1.028 312 F CB 0.918 39.799 39.000 -0.199 0.000 1.177 312 F HN 0.253 nan 8.300 nan 0.000 0.487 313 I N 3.627 124.118 120.570 -0.130 0.000 2.371 313 I HA 0.309 4.479 4.170 -0.000 0.000 0.282 313 I C -1.094 174.811 176.117 -0.353 0.000 1.031 313 I CA -0.521 60.578 61.300 -0.334 0.000 1.180 313 I CB 0.923 38.566 38.000 -0.594 0.000 1.336 313 I HN 0.110 nan 8.210 nan 0.000 0.467 314 V N 5.477 125.217 119.914 -0.290 0.000 2.370 314 V HA 0.326 4.446 4.120 -0.000 0.000 0.283 314 V C 0.078 176.089 176.094 -0.139 0.000 1.023 314 V CA -0.746 61.398 62.300 -0.260 0.000 0.857 314 V CB 1.411 32.998 31.823 -0.393 0.000 0.985 314 V HN 0.566 nan 8.190 nan 0.000 0.443 315 N N 3.233 121.891 118.700 -0.070 0.000 2.444 315 N HA 0.383 5.123 4.740 -0.000 0.000 0.271 315 N C -0.613 174.892 175.510 -0.008 0.000 1.069 315 N CA -0.142 52.912 53.050 0.006 0.000 0.965 315 N CB 1.837 40.365 38.487 0.068 0.000 1.092 315 N HN 0.436 nan 8.380 nan 0.000 0.476 316 V N 3.823 123.727 119.914 -0.017 0.000 2.293 316 V HA 0.172 4.292 4.120 -0.000 0.000 0.275 316 V C 1.558 177.618 176.094 -0.057 0.000 1.021 316 V CA -0.685 61.599 62.300 -0.028 0.000 0.815 316 V CB 1.206 33.012 31.823 -0.028 0.000 1.025 316 V HN 0.675 nan 8.190 nan 0.000 0.448 317 K N 3.427 123.797 120.400 -0.049 0.000 1.977 317 K HA -0.211 4.109 4.320 -0.000 0.000 0.218 317 K C 1.639 178.139 176.600 -0.167 0.000 1.051 317 K CA 2.289 58.547 56.287 -0.049 0.000 0.953 317 K CB 0.195 32.697 32.500 0.003 0.000 0.727 317 K HN 0.672 nan 8.250 nan 0.000 0.445 318 E N -0.460 119.585 120.200 -0.259 0.000 2.208 318 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 318 E C 1.762 178.101 176.600 -0.435 0.000 0.988 318 E CA 1.676 57.806 56.400 -0.450 0.000 0.828 318 E CB 0.040 29.289 29.700 -0.751 0.000 0.763 318 E HN 0.613 nan 8.360 nan 0.000 0.478 319 T N -3.345 111.028 114.554 -0.301 0.000 3.081 319 T HA 0.201 4.551 4.350 -0.000 0.000 0.255 319 T C 1.488 176.174 174.700 -0.024 0.000 1.113 319 T CA 0.216 62.227 62.100 -0.148 0.000 1.082 319 T CB 0.131 68.937 68.868 -0.103 0.000 0.939 319 T HN 0.206 nan 8.240 nan 0.000 0.506 320 G N 2.156 110.902 108.800 -0.090 0.000 2.298 320 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.287 320 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.287 320 G C -0.386 174.438 174.900 -0.126 0.000 1.075 320 G CA -0.280 44.760 45.100 -0.100 0.000 0.960 320 G HN 0.545 nan 8.290 nan 0.000 0.502 321 K N -0.139 120.213 120.400 -0.080 0.000 2.345 321 K HA 0.637 4.957 4.320 -0.000 0.000 0.255 321 K C 0.123 176.691 176.600 -0.054 0.000 0.934 321 K CA -0.883 55.366 56.287 -0.064 0.000 0.801 321 K CB 2.100 34.584 32.500 -0.026 0.000 1.137 321 K HN 0.260 nan 8.250 nan 0.000 0.424 322 I N 4.197 124.734 120.570 -0.055 0.000 2.339 322 I HA 0.308 4.478 4.170 -0.000 0.000 0.290 322 I C -0.224 175.859 176.117 -0.056 0.000 0.994 322 I CA -0.775 60.508 61.300 -0.029 0.000 1.191 322 I CB 0.922 38.939 38.000 0.029 0.000 1.343 322 I HN 0.222 nan 8.210 nan 0.000 0.458 323 L N 7.085 128.259 121.223 -0.083 0.000 2.295 323 L HA 0.520 4.860 4.340 -0.000 0.000 0.285 323 L C -0.555 176.232 176.870 -0.139 0.000 1.035 323 L CA -0.673 54.109 54.840 -0.096 0.000 0.806 323 L CB 1.146 43.152 42.059 -0.088 0.000 1.214 323 L HN 0.418 nan 8.230 nan 0.000 0.426 324 L N 4.588 125.738 121.223 -0.123 0.000 2.262 324 L HA 0.449 4.789 4.340 -0.000 0.000 0.288 324 L C -0.555 176.226 176.870 -0.148 0.000 1.035 324 L CA -0.619 54.130 54.840 -0.151 0.000 0.820 324 L CB 1.531 43.502 42.059 -0.147 0.000 1.204 324 L HN 0.321 nan 8.230 nan 0.000 0.424 325 V N 2.100 121.918 119.914 -0.159 0.000 2.347 325 V HA 0.203 4.323 4.120 -0.000 0.000 0.280 325 V C -0.022 175.933 176.094 -0.232 0.000 1.021 325 V CA -0.629 61.592 62.300 -0.132 0.000 0.847 325 V CB 1.825 33.601 31.823 -0.079 0.000 0.990 325 V HN 0.606 nan 8.190 nan 0.000 0.444 326 D N 4.148 124.383 120.400 -0.275 0.000 2.317 326 D HA 0.117 4.757 4.640 -0.000 0.000 0.252 326 D C 0.013 176.061 176.300 -0.419 0.000 1.174 326 D CA -0.221 53.507 54.000 -0.454 0.000 0.866 326 D CB 1.237 41.840 40.800 -0.328 0.000 1.127 326 D HN 0.654 nan 8.370 nan 0.000 0.467 327 Y N 1.213 121.212 120.300 -0.503 0.000 2.625 327 Y HA 0.289 4.839 4.550 -0.000 0.000 0.285 327 Y C 1.593 177.167 175.900 -0.543 0.000 1.168 327 Y CA -0.641 57.129 58.100 -0.549 0.000 1.250 327 Y CB -0.261 37.778 38.460 -0.702 0.000 1.130 327 Y HN 0.104 nan 8.280 nan 0.000 0.526 328 T N 0.270 114.568 114.554 -0.427 0.000 2.867 328 T HA -0.109 4.241 4.350 -0.000 0.000 0.268 328 T C -0.035 174.699 174.700 0.056 0.000 1.057 328 T CA 1.991 63.977 62.100 -0.190 0.000 1.136 328 T CB -0.185 68.594 68.868 -0.148 0.000 0.874 328 T HN 0.443 nan 8.240 nan 0.000 0.466 329 D N -0.104 120.283 120.400 -0.022 0.000 2.318 329 D HA 0.164 4.804 4.640 -0.000 0.000 0.233 329 D C 0.569 176.854 176.300 -0.025 0.000 1.348 329 D CA -0.270 53.741 54.000 0.018 0.000 0.983 329 D CB 0.151 40.962 40.800 0.019 0.000 1.416 329 D HN 0.052 nan 8.370 nan 0.000 0.558 330 L N 1.688 122.896 121.223 -0.024 0.000 2.362 330 L HA 0.015 4.355 4.340 -0.000 0.000 0.219 330 L C 1.198 178.047 176.870 -0.035 0.000 1.134 330 L CA 0.673 55.482 54.840 -0.050 0.000 0.807 330 L CB 0.039 42.056 42.059 -0.071 0.000 0.927 330 L HN 0.326 nan 8.230 nan 0.000 0.447 331 D N -0.263 120.127 120.400 -0.017 0.000 2.216 331 D HA -0.015 4.625 4.640 -0.000 0.000 0.208 331 D C 0.748 177.036 176.300 -0.021 0.000 0.960 331 D CA 0.808 54.797 54.000 -0.018 0.000 0.861 331 D CB 0.108 40.904 40.800 -0.006 0.000 0.985 331 D HN 0.302 nan 8.370 nan 0.000 0.493 332 N N 1.486 120.175 118.700 -0.019 0.000 3.228 332 N HA 0.114 4.854 4.740 -0.000 0.000 0.289 332 N C -0.414 175.076 175.510 -0.033 0.000 1.419 332 N CA -0.256 52.781 53.050 -0.022 0.000 1.088 332 N CB 1.304 39.782 38.487 -0.016 0.000 1.357 332 N HN 0.064 nan 8.380 nan 0.000 0.504 333 L N 1.346 122.547 121.223 -0.037 0.000 2.433 333 L HA 0.103 4.443 4.340 -0.000 0.000 0.275 333 L C 0.210 177.051 176.870 -0.048 0.000 1.128 333 L CA 0.402 55.215 54.840 -0.046 0.000 0.875 333 L CB 0.117 42.154 42.059 -0.037 0.000 1.171 333 L HN 0.052 nan 8.230 nan 0.000 0.463 334 K N 3.467 123.826 120.400 -0.068 0.000 2.185 334 K HA 0.620 4.940 4.320 -0.000 0.000 0.269 334 K C -0.418 176.134 176.600 -0.079 0.000 0.987 334 K CA -0.452 55.791 56.287 -0.073 0.000 0.865 334 K CB 1.340 33.784 32.500 -0.093 0.000 1.090 334 K HN 0.777 nan 8.250 nan 0.000 0.450 335 T N -1.435 113.083 114.554 -0.061 0.000 2.894 335 T HA 0.392 4.742 4.350 -0.000 0.000 0.309 335 T C -0.613 174.053 174.700 -0.057 0.000 1.208 335 T CA -0.830 61.236 62.100 -0.057 0.000 1.016 335 T CB 1.766 70.624 68.868 -0.017 0.000 1.192 335 T HN 0.283 nan 8.240 nan 0.000 0.491 336 T N 1.979 116.493 114.554 -0.066 0.000 2.786 336 T HA 0.463 4.813 4.350 -0.000 0.000 0.283 336 T C -0.659 174.010 174.700 -0.050 0.000 0.992 336 T CA -0.613 61.451 62.100 -0.060 0.000 0.954 336 T CB 1.272 70.096 68.868 -0.074 0.000 0.934 336 T HN 0.794 nan 8.240 nan 0.000 0.440 337 E N 4.589 124.768 120.200 -0.035 0.000 2.035 337 E HA 0.308 4.658 4.350 -0.000 0.000 0.271 337 E C -0.665 175.916 176.600 -0.031 0.000 0.953 337 E CA -0.476 55.909 56.400 -0.025 0.000 0.777 337 E CB 0.384 30.080 29.700 -0.007 0.000 1.104 337 E HN 0.590 nan 8.360 nan 0.000 0.408 338 I N 3.493 124.035 120.570 -0.047 0.000 2.325 338 I HA 0.100 4.270 4.170 -0.000 0.000 0.291 338 I C 0.225 176.295 176.117 -0.079 0.000 1.019 338 I CA -0.506 60.757 61.300 -0.061 0.000 1.302 338 I CB 1.525 39.480 38.000 -0.074 0.000 1.401 338 I HN 0.381 nan 8.210 nan 0.000 0.485 339 S N 5.267 120.927 115.700 -0.067 0.000 2.488 339 S HA 0.400 4.870 4.470 -0.000 0.000 0.278 339 S C 0.563 174.985 174.600 -0.296 0.000 1.259 339 S CA -0.277 57.867 58.200 -0.094 0.000 1.061 339 S CB 1.147 64.384 63.200 0.061 0.000 0.910 339 S HN 0.806 nan 8.310 nan 0.000 0.491 340 A N 3.451 125.937 122.820 -0.557 0.000 2.522 340 A HA 0.808 5.128 4.320 -0.000 0.000 0.204 340 A C -0.229 176.788 177.584 -0.945 0.000 1.826 340 A CA -0.200 51.499 52.037 -0.563 0.000 1.652 340 A CB 0.149 18.954 19.000 -0.326 0.000 1.452 340 A HN 0.584 nan 8.150 nan 0.000 0.477 341 E N -0.090 119.721 120.200 -0.649 0.000 2.343 341 E HA 0.528 4.878 4.350 -0.000 0.000 0.278 341 E C -1.048 175.430 176.600 -0.203 0.000 0.910 341 E CA -0.481 55.657 56.400 -0.437 0.000 0.757 341 E CB 1.294 30.887 29.700 -0.178 0.000 1.218 341 E HN 0.432 nan 8.360 nan 0.000 0.435 342 R N 2.195 122.672 120.500 -0.039 0.000 2.738 342 R HA 0.323 4.663 4.340 -0.000 0.000 0.268 342 R C -0.316 175.836 176.300 -0.247 0.000 1.062 342 R CA 0.168 56.090 56.100 -0.298 0.000 1.158 342 R CB 0.127 30.052 30.300 -0.624 0.000 1.046 342 R HN 0.660 nan 8.270 nan 0.000 0.493 343 F N -1.581 118.381 119.950 0.021 0.000 2.893 343 F HA -0.206 4.321 4.527 -0.000 0.000 0.287 343 F C -0.023 175.802 175.800 0.043 0.000 0.766 343 F CA -0.268 57.747 58.000 0.024 0.000 1.362 343 F CB -2.258 36.758 39.000 0.027 0.000 1.518 343 F HN 0.378 nan 8.300 nan 0.000 0.417 344 L N 0.162 121.452 121.223 0.112 0.000 2.543 344 L HA 0.152 4.492 4.340 -0.000 0.000 0.285 344 L C 1.379 178.365 176.870 0.193 0.000 1.236 344 L CA 0.915 55.813 54.840 0.097 0.000 0.871 344 L CB 0.460 42.536 42.059 0.028 0.000 1.121 344 L HN 0.414 nan 8.230 nan 0.000 0.501 345 H N 0.316 119.427 119.070 0.067 0.000 4.939 345 H HA 0.190 4.746 4.556 -0.000 0.000 0.096 345 H C -0.818 174.559 175.328 0.083 0.000 1.270 345 H CA 0.134 56.235 56.048 0.088 0.000 0.659 345 H CB 0.500 30.317 29.762 0.091 0.000 1.488 345 H HN 0.724 nan 8.280 nan 0.000 0.151 346 D N 0.096 120.517 120.400 0.035 0.000 2.384 346 D HA 0.573 5.213 4.640 -0.000 0.000 0.250 346 D C 0.387 176.726 176.300 0.065 0.000 1.029 346 D CA -0.295 53.701 54.000 -0.006 0.000 0.990 346 D CB 2.016 42.791 40.800 -0.042 0.000 1.175 346 D HN 0.710 nan 8.370 nan 0.000 0.532 347 G N -2.371 106.516 108.800 0.146 0.000 2.430 347 G HA2 0.632 4.592 3.960 -0.000 0.000 0.300 347 G HA3 0.632 4.592 3.960 -0.000 0.000 0.300 347 G C -1.205 173.890 174.900 0.325 0.000 1.330 347 G CA -0.388 44.801 45.100 0.148 0.000 0.813 347 G HN 0.849 nan 8.290 nan 0.000 0.487 348 G N -1.395 107.598 108.800 0.321 0.000 2.660 348 G HA2 0.637 4.597 3.960 -0.000 0.000 0.290 348 G HA3 0.637 4.597 3.960 -0.000 0.000 0.290 348 G C -0.976 174.215 174.900 0.484 0.000 1.432 348 G CA -0.882 44.527 45.100 0.516 0.000 0.807 348 G HN 0.684 nan 8.290 nan 0.000 0.485 349 L N 1.411 123.010 121.223 0.627 0.000 2.418 349 L HA 0.301 4.641 4.340 -0.000 0.000 0.265 349 L C 0.707 177.818 176.870 0.402 0.000 1.143 349 L CA -1.011 54.083 54.840 0.423 0.000 0.809 349 L CB 0.843 43.107 42.059 0.342 0.000 1.124 349 L HN 0.749 nan 8.230 nan 0.000 0.456 350 D N 1.417 122.000 120.400 0.305 0.000 2.414 350 D HA -0.005 4.635 4.640 -0.000 0.000 0.251 350 D C 1.140 177.574 176.300 0.224 0.000 1.252 350 D CA -0.046 54.134 54.000 0.299 0.000 0.999 350 D CB 0.948 41.935 40.800 0.311 0.000 1.093 350 D HN 0.619 nan 8.370 nan 0.000 0.515 351 G N -0.698 108.185 108.800 0.140 0.000 2.462 351 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.220 351 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.220 351 G C 1.429 176.258 174.900 -0.119 0.000 1.121 351 G CA 1.254 46.347 45.100 -0.012 0.000 0.758 351 G HN 0.587 nan 8.290 nan 0.000 0.559 352 S N -1.266 114.441 115.700 0.012 0.000 2.593 352 S HA 0.083 4.553 4.470 -0.000 0.000 0.217 352 S C 0.936 175.589 174.600 0.089 0.000 0.966 352 S CA 0.644 58.852 58.200 0.014 0.000 0.914 352 S CB -0.527 62.753 63.200 0.133 0.000 0.776 352 S HN 0.668 nan 8.310 nan 0.000 0.523 353 H N -0.342 118.767 119.070 0.065 0.000 2.958 353 H HA -0.174 4.382 4.556 -0.000 0.000 0.274 353 H C 1.382 176.786 175.328 0.127 0.000 1.184 353 H CA 0.838 56.915 56.048 0.048 0.000 1.143 353 H CB -0.966 28.699 29.762 -0.161 0.000 1.297 353 H HN 0.508 nan 8.280 nan 0.000 0.356 354 R N 0.060 120.616 120.500 0.093 0.000 2.146 354 R HA 0.101 4.441 4.340 -0.000 0.000 0.206 354 R C -0.221 175.780 176.300 -0.498 0.000 1.049 354 R CA 0.594 56.402 56.100 -0.486 0.000 1.029 354 R CB 0.555 30.383 30.300 -0.787 0.000 0.949 354 R HN 0.178 nan 8.270 nan 0.000 0.471 355 Y N -0.490 119.813 120.300 0.006 0.000 2.377 355 Y HA 0.309 4.859 4.550 -0.000 0.000 0.339 355 Y C -0.757 175.152 175.900 0.016 0.000 1.011 355 Y CA -1.351 56.725 58.100 -0.040 0.000 1.093 355 Y CB 1.351 39.781 38.460 -0.050 0.000 1.201 355 Y HN -0.105 nan 8.280 nan 0.000 0.455 356 F N 4.850 124.756 119.950 -0.073 0.000 2.405 356 F HA 0.617 5.144 4.527 -0.000 0.000 0.355 356 F C -0.949 174.696 175.800 -0.259 0.000 1.121 356 F CA -1.814 56.111 58.000 -0.126 0.000 1.112 356 F CB 0.259 39.189 39.000 -0.116 0.000 1.126 356 F HN 0.322 nan 8.300 nan 0.000 0.481 357 I N 5.864 125.978 120.570 -0.760 0.000 2.382 357 I HA 0.348 4.518 4.170 -0.000 0.000 0.286 357 I C -0.195 175.262 176.117 -1.101 0.000 1.002 357 I CA -0.395 60.290 61.300 -1.026 0.000 1.135 357 I CB 1.784 38.974 38.000 -1.350 0.000 1.288 357 I HN 0.572 nan 8.210 nan 0.000 0.448 358 T N 4.608 118.607 114.554 -0.926 0.000 2.916 358 T HA 0.720 5.070 4.350 -0.000 0.000 0.305 358 T C -0.830 173.698 174.700 -0.287 0.000 1.119 358 T CA -0.461 61.274 62.100 -0.609 0.000 1.008 358 T CB 1.500 69.871 68.868 -0.829 0.000 1.129 358 T HN 0.614 nan 8.240 nan 0.000 0.480 359 A N 2.508 125.270 122.820 -0.097 0.000 2.366 359 A HA 0.710 5.030 4.320 -0.000 0.000 0.272 359 A C 0.566 178.162 177.584 0.019 0.000 1.135 359 A CA -0.234 51.796 52.037 -0.012 0.000 0.804 359 A CB 0.133 19.159 19.000 0.043 0.000 1.064 359 A HN 1.173 nan 8.150 nan 0.000 0.499 360 A N 3.320 126.155 122.820 0.025 0.000 2.880 360 A HA 0.383 4.703 4.320 -0.000 0.000 0.328 360 A C 1.056 178.719 177.584 0.131 0.000 1.440 360 A CA -0.303 51.785 52.037 0.085 0.000 1.068 360 A CB -0.748 18.279 19.000 0.046 0.000 1.163 360 A HN 1.008 nan 8.150 nan 0.000 0.510 361 N N 2.358 121.137 118.700 0.132 0.000 2.094 361 N HA -0.227 4.513 4.740 -0.000 0.000 0.191 361 N C 1.340 176.885 175.510 0.058 0.000 1.023 361 N CA 2.216 55.317 53.050 0.086 0.000 0.857 361 N CB -0.415 38.105 38.487 0.055 0.000 1.013 361 N HN 0.473 nan 8.380 nan 0.000 0.426 362 A N -0.300 122.537 122.820 0.029 0.000 2.119 362 A HA 0.111 4.431 4.320 -0.000 0.000 0.217 362 A C 2.012 179.617 177.584 0.036 0.000 1.153 362 A CA 0.507 52.493 52.037 -0.084 0.000 0.692 362 A CB -0.315 18.406 19.000 -0.465 0.000 0.799 362 A HN 0.332 nan 8.150 nan 0.000 0.458 363 R N -0.501 120.087 120.500 0.146 0.000 2.393 363 R HA 0.088 4.428 4.340 -0.000 0.000 0.244 363 R C -0.289 176.070 176.300 0.098 0.000 0.920 363 R CA 0.059 56.245 56.100 0.143 0.000 1.076 363 R CB 0.189 30.610 30.300 0.203 0.000 1.119 363 R HN 0.447 nan 8.270 nan 0.000 0.524 364 N N 1.350 120.105 118.700 0.092 0.000 2.725 364 N HA -0.163 4.577 4.740 -0.000 0.000 0.249 364 N C -0.992 174.571 175.510 0.088 0.000 1.103 364 N CA 1.297 54.407 53.050 0.099 0.000 0.707 364 N CB -0.668 37.868 38.487 0.083 0.000 1.043 364 N HN 0.160 nan 8.380 nan 0.000 0.553 365 K N 0.371 120.811 120.400 0.066 0.000 2.281 365 K HA 0.602 4.922 4.320 -0.000 0.000 0.242 365 K C 0.496 177.097 176.600 0.001 0.000 0.971 365 K CA -0.594 55.712 56.287 0.031 0.000 0.834 365 K CB 1.800 34.304 32.500 0.007 0.000 1.181 365 K HN 0.045 nan 8.250 nan 0.000 0.435 366 L N 1.421 122.626 121.223 -0.031 0.000 2.333 366 L HA 0.449 4.789 4.340 -0.000 0.000 0.280 366 L C -0.569 176.195 176.870 -0.177 0.000 1.004 366 L CA -1.220 53.560 54.840 -0.100 0.000 0.820 366 L CB 1.943 43.966 42.059 -0.061 0.000 1.247 366 L HN 0.113 nan 8.230 nan 0.000 0.416 367 V N 4.156 123.908 119.914 -0.270 0.000 2.435 367 V HA 0.429 4.549 4.120 -0.000 0.000 0.290 367 V C -0.091 175.742 176.094 -0.435 0.000 1.030 367 V CA -0.597 61.519 62.300 -0.306 0.000 0.881 367 V CB 2.214 33.868 31.823 -0.282 0.000 0.983 367 V HN 0.415 nan 8.190 nan 0.000 0.445 368 V N 6.030 125.677 119.914 -0.445 0.000 2.448 368 V HA 0.533 4.653 4.120 -0.000 0.000 0.295 368 V C -0.409 175.409 176.094 -0.461 0.000 1.025 368 V CA -0.556 61.383 62.300 -0.602 0.000 0.859 368 V CB 1.717 32.935 31.823 -1.008 0.000 0.988 368 V HN 0.562 nan 8.190 nan 0.000 0.431 369 I N 3.297 123.682 120.570 -0.309 0.000 2.433 369 I HA 0.411 4.581 4.170 -0.000 0.000 0.292 369 I C -0.275 175.792 176.117 -0.085 0.000 1.001 369 I CA -0.565 60.648 61.300 -0.145 0.000 1.119 369 I CB 1.839 39.846 38.000 0.012 0.000 1.289 369 I HN 0.603 nan 8.210 nan 0.000 0.438 370 D N 3.999 124.340 120.400 -0.097 0.000 2.316 370 D HA 0.125 4.765 4.640 -0.000 0.000 0.245 370 D C 1.203 177.351 176.300 -0.253 0.000 1.171 370 D CA -0.088 53.787 54.000 -0.207 0.000 0.856 370 D CB 1.322 42.048 40.800 -0.123 0.000 1.090 370 D HN 0.689 nan 8.370 nan 0.000 0.476 371 T N 1.054 115.407 114.554 -0.334 0.000 3.067 371 T HA -0.063 4.287 4.350 -0.000 0.000 0.261 371 T C 1.593 176.148 174.700 -0.241 0.000 1.110 371 T CA 0.592 62.549 62.100 -0.238 0.000 1.113 371 T CB 0.120 68.882 68.868 -0.177 0.000 0.917 371 T HN 0.400 nan 8.240 nan 0.000 0.499 372 K N 1.245 121.416 120.400 -0.382 0.000 2.007 372 K HA -0.039 4.281 4.320 -0.000 0.000 0.206 372 K C 2.074 178.598 176.600 -0.126 0.000 1.047 372 K CA 1.403 57.551 56.287 -0.232 0.000 0.937 372 K CB -0.048 32.254 32.500 -0.330 0.000 0.718 372 K HN 0.363 nan 8.250 nan 0.000 0.438 373 E N -0.935 119.181 120.200 -0.141 0.000 2.442 373 E HA 0.073 4.423 4.350 -0.000 0.000 0.195 373 E C 0.297 176.845 176.600 -0.087 0.000 1.030 373 E CA 0.443 56.791 56.400 -0.087 0.000 0.869 373 E CB 0.533 30.195 29.700 -0.064 0.000 0.857 373 E HN 0.609 nan 8.360 nan 0.000 0.505 374 G N 1.872 110.606 108.800 -0.110 0.000 2.272 374 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.280 374 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.280 374 G C -0.238 174.611 174.900 -0.086 0.000 1.067 374 G CA 0.624 45.664 45.100 -0.101 0.000 0.902 374 G HN 0.124 nan 8.290 nan 0.000 0.500 375 K N -1.169 119.179 120.400 -0.086 0.000 2.482 375 K HA 0.626 4.946 4.320 -0.000 0.000 0.257 375 K C -0.255 176.288 176.600 -0.095 0.000 0.969 375 K CA -1.283 54.958 56.287 -0.077 0.000 0.842 375 K CB 2.260 34.724 32.500 -0.060 0.000 1.359 375 K HN 0.161 nan 8.250 nan 0.000 0.441 376 L N 1.883 123.045 121.223 -0.101 0.000 2.453 376 L HA 0.046 4.386 4.340 -0.000 0.000 0.272 376 L C 0.243 177.024 176.870 -0.149 0.000 1.182 376 L CA 0.582 55.340 54.840 -0.137 0.000 0.858 376 L CB 1.021 43.000 42.059 -0.133 0.000 1.120 376 L HN 0.574 nan 8.230 nan 0.000 0.474 377 V N 4.192 123.967 119.914 -0.232 0.000 3.484 377 V HA 0.594 4.714 4.120 -0.000 0.000 0.252 377 V C 0.415 176.340 176.094 -0.283 0.000 1.282 377 V CA 0.683 62.830 62.300 -0.255 0.000 1.104 377 V CB 0.512 32.121 31.823 -0.356 0.000 0.868 377 V HN 0.974 nan 8.190 nan 0.000 0.457 378 A N -0.197 122.421 122.820 -0.337 0.000 2.608 378 A HA 0.793 5.113 4.320 -0.000 0.000 0.292 378 A C -1.660 175.800 177.584 -0.207 0.000 1.066 378 A CA -0.331 51.567 52.037 -0.230 0.000 0.676 378 A CB 1.465 20.333 19.000 -0.221 0.000 1.277 378 A HN 0.095 nan 8.150 nan 0.000 0.413 379 I N 1.510 122.007 120.570 -0.122 0.000 2.534 379 I HA 0.430 4.600 4.170 -0.000 0.000 0.286 379 I C -1.071 175.015 176.117 -0.051 0.000 1.094 379 I CA -0.361 60.876 61.300 -0.106 0.000 1.055 379 I CB 2.008 39.950 38.000 -0.097 0.000 1.225 379 I HN 0.554 nan 8.210 nan 0.000 0.435 380 E N 4.299 124.475 120.200 -0.041 0.000 2.293 380 E HA 0.277 4.627 4.350 -0.000 0.000 0.270 380 E C -1.378 175.228 176.600 0.010 0.000 0.879 380 E CA -0.726 55.670 56.400 -0.006 0.000 0.756 380 E CB 2.940 32.646 29.700 0.010 0.000 1.208 380 E HN 0.441 nan 8.360 nan 0.000 0.428 381 D N 1.380 121.792 120.400 0.020 0.000 2.348 381 D HA 0.015 4.655 4.640 -0.000 0.000 0.253 381 D C 1.005 177.332 176.300 0.046 0.000 1.161 381 D CA 0.184 54.205 54.000 0.035 0.000 0.876 381 D CB 1.111 41.928 40.800 0.029 0.000 1.160 381 D HN 0.438 nan 8.370 nan 0.000 0.459 382 T N 0.734 115.338 114.554 0.084 0.000 3.118 382 T HA 0.140 4.490 4.350 -0.000 0.000 0.260 382 T C 1.451 176.182 174.700 0.052 0.000 1.139 382 T CA 0.693 62.860 62.100 0.112 0.000 1.085 382 T CB -0.038 68.989 68.868 0.265 0.000 0.934 382 T HN 0.629 nan 8.240 nan 0.000 0.518 383 G N 0.101 108.910 108.800 0.014 0.000 2.184 383 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.264 383 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.264 383 G C 0.383 175.208 174.900 -0.125 0.000 0.975 383 G CA -0.003 45.074 45.100 -0.038 0.000 0.642 383 G HN 1.134 nan 8.290 nan 0.000 0.536 384 G N -1.542 107.132 108.800 -0.211 0.000 2.735 384 G HA2 0.631 4.591 3.960 -0.000 0.000 0.301 384 G HA3 0.631 4.591 3.960 -0.000 0.000 0.301 384 G C -0.709 174.084 174.900 -0.177 0.000 1.279 384 G CA -0.504 44.289 45.100 -0.512 0.000 1.019 384 G HN 0.207 nan 8.290 nan 0.000 0.497 385 Q N 0.882 120.610 119.800 -0.120 0.000 2.340 385 Q HA 0.408 4.748 4.340 -0.000 0.000 0.259 385 Q C -0.531 175.579 176.000 0.183 0.000 0.964 385 Q CA -0.174 55.657 55.803 0.046 0.000 0.900 385 Q CB 1.130 29.868 28.738 -0.000 0.000 1.228 385 Q HN 0.714 nan 8.270 nan 0.000 0.449 386 T N 2.513 117.171 114.554 0.173 0.000 3.389 386 T HA -0.084 4.266 4.350 -0.000 0.000 0.422 386 T C -2.462 172.316 174.700 0.129 0.000 0.767 386 T CA -0.325 61.850 62.100 0.126 0.000 2.199 386 T CB -1.084 67.816 68.868 0.054 0.000 1.700 386 T HN 0.457 nan 8.240 nan 0.000 0.698 387 P HA 0.088 nan 4.420 nan 0.000 0.264 387 P C -0.257 177.000 177.300 -0.072 0.000 1.193 387 P CA 0.319 63.250 63.100 -0.281 0.000 0.763 387 P CB 0.468 32.063 31.700 -0.175 0.000 0.810 388 H N 6.240 125.185 119.070 -0.209 0.000 2.607 388 H HA 0.228 4.784 4.556 -0.000 0.000 0.248 388 H C -2.159 173.082 175.328 -0.146 0.000 1.355 388 H CA -1.991 53.983 56.048 -0.123 0.000 1.524 388 H CB 1.542 31.212 29.762 -0.154 0.000 1.563 388 H HN 0.225 nan 8.280 nan 0.000 0.509 389 P HA 0.089 nan 4.420 nan 0.000 0.235 389 P C 1.022 178.307 177.300 -0.024 0.000 1.177 389 P CA 1.322 64.381 63.100 -0.068 0.000 0.785 389 P CB 1.110 32.927 31.700 0.196 0.000 0.885 390 G N 2.017 110.726 108.800 -0.151 0.000 2.574 390 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.286 390 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.286 390 G C 0.839 175.826 174.900 0.145 0.000 1.212 390 G CA 0.442 45.632 45.100 0.149 0.000 0.979 390 G HN 0.291 nan 8.290 nan 0.000 0.557 391 R N 1.605 122.158 120.500 0.087 0.000 2.310 391 R HA 0.429 4.769 4.340 -0.000 0.000 0.202 391 R C 1.553 177.910 176.300 0.096 0.000 0.933 391 R CA 1.074 57.110 56.100 -0.106 0.000 1.054 391 R CB -0.199 29.654 30.300 -0.745 0.000 0.985 391 R HN 1.992 nan 8.270 nan 0.000 0.489 392 G N 0.644 109.499 108.800 0.091 0.000 2.698 392 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.233 392 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.233 392 G C -0.879 173.966 174.900 -0.093 0.000 1.352 392 G CA -0.463 44.501 45.100 -0.227 0.000 0.879 392 G HN 0.410 nan 8.290 nan 0.000 0.567 393 A N 0.053 122.659 122.820 -0.356 0.000 2.375 393 A HA 0.734 5.054 4.320 -0.000 0.000 0.295 393 A C -0.345 177.299 177.584 0.099 0.000 1.066 393 A CA -0.509 51.566 52.037 0.063 0.000 0.722 393 A CB 1.150 20.256 19.000 0.178 0.000 1.206 393 A HN 0.810 nan 8.150 nan 0.000 0.435 394 N N 1.829 120.703 118.700 0.289 0.000 2.421 394 N HA 0.776 5.516 4.740 -0.000 0.000 0.285 394 N C -1.009 174.668 175.510 0.278 0.000 1.027 394 N CA 0.180 53.378 53.050 0.245 0.000 0.918 394 N CB 1.622 40.256 38.487 0.246 0.000 1.152 394 N HN 0.669 nan 8.380 nan 0.000 0.485 395 F N -1.930 118.088 119.950 0.115 0.000 2.713 395 F HA 0.514 5.041 4.527 -0.000 0.000 0.311 395 F C -1.293 174.557 175.800 0.083 0.000 1.141 395 F CA -1.204 56.846 58.000 0.084 0.000 0.939 395 F CB 0.701 39.755 39.000 0.091 0.000 1.325 395 F HN -0.013 nan 8.300 nan 0.000 0.453 396 V N 2.827 122.938 119.914 0.327 0.000 2.348 396 V HA 0.188 4.308 4.120 -0.000 0.000 0.270 396 V C 0.128 176.427 176.094 0.342 0.000 1.037 396 V CA -0.376 62.041 62.300 0.196 0.000 0.872 396 V CB 0.262 32.157 31.823 0.120 0.000 1.002 396 V HN 0.845 nan 8.190 nan 0.000 0.464 397 H N 8.036 127.214 119.070 0.181 0.000 2.732 397 H HA 0.157 4.713 4.556 -0.000 0.000 0.351 397 H C -1.767 173.634 175.328 0.122 0.000 1.090 397 H CA -1.496 54.710 56.048 0.263 0.000 1.431 397 H CB 2.093 31.995 29.762 0.234 0.000 1.447 397 H HN 0.348 nan 8.280 nan 0.000 0.582 398 P HA -0.124 nan 4.420 nan 0.000 0.218 398 P C 1.107 178.428 177.300 0.034 0.000 1.148 398 P CA 2.237 65.284 63.100 -0.088 0.000 0.822 398 P CB 0.307 31.881 31.700 -0.210 0.000 0.784 399 T N -6.551 108.107 114.554 0.173 0.000 2.964 399 T HA 0.155 4.505 4.350 -0.000 0.000 0.249 399 T C 1.311 176.005 174.700 -0.011 0.000 1.000 399 T CA 0.019 62.132 62.100 0.022 0.000 0.992 399 T CB -0.775 67.987 68.868 -0.178 0.000 1.087 399 T HN -0.164 nan 8.240 nan 0.000 0.489 400 F N 2.738 122.795 119.950 0.179 0.000 2.664 400 F HA 0.520 5.047 4.527 -0.000 0.000 0.296 400 F C 1.921 177.490 175.800 -0.384 0.000 1.125 400 F CA 0.142 58.047 58.000 -0.157 0.000 1.444 400 F CB -0.425 38.309 39.000 -0.443 0.000 1.114 400 F HN 0.614 nan 8.300 nan 0.000 0.576 401 G N -0.230 108.457 108.800 -0.190 0.000 2.548 401 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.208 401 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.208 401 G C -2.861 171.876 174.900 -0.272 0.000 1.308 401 G CA -1.314 43.424 45.100 -0.603 0.000 0.924 401 G HN -0.086 nan 8.290 nan 0.000 0.540 402 P HA 0.417 nan 4.420 nan 0.000 0.263 402 P C 0.178 177.345 177.300 -0.222 0.000 1.195 402 P CA 0.592 63.597 63.100 -0.159 0.000 0.762 402 P CB 1.003 32.643 31.700 -0.100 0.000 0.799 403 V N 1.104 120.868 119.914 -0.250 0.000 3.159 403 V HA 0.746 4.866 4.120 -0.000 0.000 0.308 403 V C -1.715 174.272 176.094 -0.179 0.000 1.190 403 V CA -1.232 60.907 62.300 -0.269 0.000 1.037 403 V CB 2.386 33.983 31.823 -0.377 0.000 1.060 403 V HN 0.599 nan 8.190 nan 0.000 0.437 404 W N 1.991 123.152 121.300 -0.231 0.000 2.819 404 W HA 0.880 5.540 4.660 -0.000 0.000 0.337 404 W C -0.441 176.035 176.519 -0.071 0.000 1.077 404 W CA -0.102 57.190 57.345 -0.088 0.000 1.226 404 W CB 1.949 31.433 29.460 0.040 0.000 1.419 404 W HN 1.060 nan 8.180 nan 0.000 0.502 405 A N 2.930 125.468 122.820 -0.469 0.000 2.384 405 A HA 0.836 5.156 4.320 -0.000 0.000 0.312 405 A C -0.904 176.138 177.584 -0.903 0.000 1.113 405 A CA -0.498 51.284 52.037 -0.425 0.000 0.779 405 A CB 1.930 20.885 19.000 -0.075 0.000 1.307 405 A HN 0.622 nan 8.150 nan 0.000 0.436 406 T N -0.665 113.591 114.554 -0.498 0.000 2.894 406 T HA 0.651 5.001 4.350 -0.000 0.000 0.309 406 T C -0.055 174.496 174.700 -0.249 0.000 1.208 406 T CA 0.259 62.097 62.100 -0.437 0.000 1.016 406 T CB 1.229 69.880 68.868 -0.361 0.000 1.192 406 T HN 1.790 nan 8.240 nan 0.000 0.491 407 S N 2.180 117.768 115.700 -0.187 0.000 2.718 407 S HA 0.793 5.263 4.470 -0.000 0.000 0.292 407 S C -0.933 173.546 174.600 -0.201 0.000 1.125 407 S CA -0.536 57.615 58.200 -0.080 0.000 1.013 407 S CB 0.763 63.968 63.200 0.008 0.000 1.192 407 S HN 0.890 nan 8.310 nan 0.000 0.535 408 H N -0.880 118.174 119.070 -0.026 0.000 2.806 408 H HA 0.473 5.029 4.556 -0.000 0.000 0.367 408 H C 0.380 175.691 175.328 -0.028 0.000 1.136 408 H CA -0.652 55.388 56.048 -0.014 0.000 1.178 408 H CB 1.546 31.294 29.762 -0.022 0.000 1.718 408 H HN 0.511 nan 8.280 nan 0.000 0.540 409 M N 1.020 120.662 119.600 0.070 0.000 2.193 409 M HA 0.026 4.506 4.480 -0.000 0.000 0.265 409 M C 2.057 178.372 176.300 0.024 0.000 1.071 409 M CA 1.727 57.026 55.300 -0.002 0.000 1.140 409 M CB 0.055 32.622 32.600 -0.054 0.000 1.369 409 M HN 0.845 nan 8.290 nan 0.000 0.423 410 G N 0.475 109.310 108.800 0.058 0.000 2.744 410 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.211 410 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.211 410 G C -0.109 174.798 174.900 0.011 0.000 1.143 410 G CA 0.575 45.692 45.100 0.028 0.000 0.788 410 G HN 0.567 nan 8.290 nan 0.000 0.534 411 D N -1.933 118.479 120.400 0.021 0.000 2.779 411 D HA 0.128 4.768 4.640 -0.000 0.000 0.331 411 D C -0.291 176.011 176.300 0.003 0.000 1.331 411 D CA -0.313 53.678 54.000 -0.015 0.000 0.866 411 D CB -0.011 40.748 40.800 -0.070 0.000 1.409 411 D HN -0.036 nan 8.370 nan 0.000 0.486 412 D N -1.007 119.388 120.400 -0.009 0.000 2.328 412 D HA 0.102 4.742 4.640 -0.000 0.000 0.221 412 D C 0.244 176.546 176.300 0.004 0.000 1.072 412 D CA -0.054 53.953 54.000 0.011 0.000 0.850 412 D CB -0.423 40.392 40.800 0.026 0.000 0.922 412 D HN 0.409 nan 8.370 nan 0.000 0.516 413 S N -0.363 115.303 115.700 -0.057 0.000 2.576 413 S HA 0.394 4.864 4.470 -0.000 0.000 0.276 413 S C -0.001 174.580 174.600 -0.033 0.000 1.339 413 S CA -0.742 57.393 58.200 -0.109 0.000 1.039 413 S CB 1.575 64.622 63.200 -0.254 0.000 0.902 413 S HN -0.015 nan 8.310 nan 0.000 0.516 414 V N 2.269 122.027 119.914 -0.260 0.000 2.444 414 V HA 0.748 4.868 4.120 -0.000 0.000 0.294 414 V C 0.306 176.099 176.094 -0.501 0.000 1.022 414 V CA -0.408 61.655 62.300 -0.395 0.000 0.850 414 V CB 1.059 32.456 31.823 -0.710 0.000 0.992 414 V HN 1.229 nan 8.190 nan 0.000 0.426 415 A N 6.078 128.781 122.820 -0.195 0.000 2.340 415 A HA 0.952 5.272 4.320 -0.000 0.000 0.331 415 A C -0.980 176.545 177.584 -0.099 0.000 1.140 415 A CA -0.615 51.345 52.037 -0.128 0.000 0.801 415 A CB 1.125 20.158 19.000 0.055 0.000 1.234 415 A HN 0.775 nan 8.150 nan 0.000 0.469 416 L N 2.261 123.443 121.223 -0.069 0.000 2.346 416 L HA 0.615 4.955 4.340 -0.000 0.000 0.276 416 L C -0.568 176.261 176.870 -0.068 0.000 1.006 416 L CA -0.374 54.435 54.840 -0.051 0.000 0.817 416 L CB 1.702 43.737 42.059 -0.040 0.000 1.272 416 L HN 0.709 nan 8.230 nan 0.000 0.421 417 I N 1.089 121.665 120.570 0.009 0.000 2.509 417 I HA 0.546 4.716 4.170 -0.000 0.000 0.293 417 I C 0.445 176.485 176.117 -0.129 0.000 1.020 417 I CA -0.402 60.887 61.300 -0.018 0.000 1.088 417 I CB 1.913 39.991 38.000 0.131 0.000 1.267 417 I HN 0.668 nan 8.210 nan 0.000 0.430 418 G N 3.193 111.829 108.800 -0.274 0.000 2.378 418 G HA2 0.301 4.261 3.960 -0.000 0.000 0.255 418 G HA3 0.301 4.261 3.960 -0.000 0.000 0.255 418 G C 0.443 174.968 174.900 -0.624 0.000 1.270 418 G CA 0.057 44.919 45.100 -0.397 0.000 0.876 418 G HN 0.729 nan 8.290 nan 0.000 0.521 419 T N -1.029 113.179 114.554 -0.577 0.000 3.266 419 T HA 0.257 4.607 4.350 -0.000 0.000 0.278 419 T C -0.161 174.125 174.700 -0.689 0.000 1.010 419 T CA -0.439 61.169 62.100 -0.820 0.000 0.909 419 T CB 0.477 69.219 68.868 -0.210 0.000 1.122 419 T HN 0.388 nan 8.240 nan 0.000 0.536 420 D N 1.284 121.320 120.400 -0.607 0.000 2.400 420 D HA 0.388 5.028 4.640 -0.000 0.000 0.272 420 D C -2.063 174.083 176.300 -0.258 0.000 1.220 420 D CA -2.336 51.494 54.000 -0.283 0.000 0.897 420 D CB 1.864 42.635 40.800 -0.048 0.000 1.134 420 D HN -0.041 nan 8.370 nan 0.000 0.507 421 P HA -0.112 nan 4.420 nan 0.000 0.217 421 P C 1.172 178.445 177.300 -0.045 0.000 1.150 421 P CA 0.837 63.839 63.100 -0.164 0.000 0.832 421 P CB 0.551 32.235 31.700 -0.026 0.000 0.787 422 E N -0.478 119.724 120.200 0.003 0.000 2.001 422 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 422 E C 2.189 178.775 176.600 -0.024 0.000 0.994 422 E CA 1.460 57.869 56.400 0.014 0.000 0.815 422 E CB -0.925 28.802 29.700 0.045 0.000 0.770 422 E HN 0.133 nan 8.360 nan 0.000 0.453 423 G N -1.469 107.320 108.800 -0.019 0.000 2.572 423 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.216 423 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.216 423 G C -0.012 174.669 174.900 -0.365 0.000 1.133 423 G CA 0.422 45.444 45.100 -0.131 0.000 0.791 423 G HN 0.274 nan 8.290 nan 0.000 0.538 424 H N -0.445 118.580 119.070 -0.075 0.000 2.514 424 H HA 0.247 4.803 4.556 -0.000 0.000 0.226 424 H C -1.699 173.556 175.328 -0.122 0.000 1.421 424 H CA -1.347 54.653 56.048 -0.079 0.000 1.394 424 H CB 1.685 31.400 29.762 -0.078 0.000 1.701 424 H HN 0.055 nan 8.280 nan 0.000 0.515 425 P HA -0.194 nan 4.420 nan 0.000 0.215 425 P C 0.739 178.005 177.300 -0.056 0.000 1.157 425 P CA 1.331 64.397 63.100 -0.056 0.000 0.874 425 P CB 0.641 32.319 31.700 -0.036 0.000 0.790 426 D N -0.799 119.587 120.400 -0.024 0.000 2.219 426 D HA -0.094 4.546 4.640 -0.000 0.000 0.205 426 D C 1.510 177.784 176.300 -0.045 0.000 0.970 426 D CA 0.859 54.848 54.000 -0.018 0.000 0.851 426 D CB -0.607 40.200 40.800 0.011 0.000 0.943 426 D HN 0.174 nan 8.370 nan 0.000 0.488 427 N N 0.456 119.123 118.700 -0.056 0.000 2.424 427 N HA 0.067 4.807 4.740 -0.000 0.000 0.178 427 N C 0.335 175.685 175.510 -0.267 0.000 1.060 427 N CA 0.058 53.025 53.050 -0.138 0.000 0.901 427 N CB 0.021 38.447 38.487 -0.103 0.000 0.979 427 N HN 0.015 nan 8.380 nan 0.000 0.451 428 A N 0.335 122.953 122.820 -0.336 0.000 2.548 428 A HA 0.101 4.421 4.320 -0.000 0.000 0.247 428 A C -0.092 177.163 177.584 -0.548 0.000 1.067 428 A CA -0.087 51.529 52.037 -0.701 0.000 0.757 428 A CB -0.799 17.735 19.000 -0.777 0.000 0.996 428 A HN 0.526 nan 8.150 nan 0.000 0.504 429 W N 0.207 121.401 121.300 -0.175 0.000 4.141 429 W HA -0.224 4.436 4.660 -0.000 0.000 0.336 429 W C 0.298 176.737 176.519 -0.134 0.000 1.258 429 W CA 0.854 58.096 57.345 -0.171 0.000 0.747 429 W CB -1.645 27.708 29.460 -0.179 0.000 2.338 429 W HN 0.679 nan 8.180 nan 0.000 1.410 430 K N 0.525 120.903 120.400 -0.036 0.000 2.259 430 K HA 0.480 4.800 4.320 -0.000 0.000 0.249 430 K C 0.263 176.795 176.600 -0.114 0.000 0.942 430 K CA -1.298 54.952 56.287 -0.063 0.000 0.816 430 K CB 1.658 34.100 32.500 -0.096 0.000 1.155 430 K HN -0.244 nan 8.250 nan 0.000 0.428 431 I N 4.676 125.195 120.570 -0.085 0.000 2.494 431 I HA -0.027 4.143 4.170 -0.000 0.000 0.289 431 I C 1.048 177.046 176.117 -0.198 0.000 1.106 431 I CA 0.467 61.706 61.300 -0.102 0.000 1.369 431 I CB -0.220 37.755 38.000 -0.042 0.000 1.410 431 I HN 0.638 nan 8.210 nan 0.000 0.523 432 L N 3.877 124.891 121.223 -0.348 0.000 2.416 432 L HA 0.210 4.550 4.340 -0.000 0.000 0.216 432 L C 0.277 176.891 176.870 -0.426 0.000 1.098 432 L CA 0.541 54.982 54.840 -0.666 0.000 0.840 432 L CB -0.013 41.206 42.059 -1.401 0.000 0.981 432 L HN 0.557 nan 8.230 nan 0.000 0.462 433 D N -1.334 118.964 120.400 -0.170 0.000 2.663 433 D HA 0.309 4.949 4.640 -0.000 0.000 0.233 433 D C -1.511 174.822 176.300 0.056 0.000 1.240 433 D CA -0.171 53.872 54.000 0.072 0.000 0.774 433 D CB 2.141 43.114 40.800 0.289 0.000 1.443 433 D HN -0.224 nan 8.370 nan 0.000 0.441 434 S N 1.863 117.623 115.700 0.101 0.000 2.677 434 S HA 0.778 5.248 4.470 -0.000 0.000 0.283 434 S C -1.639 173.004 174.600 0.072 0.000 1.159 434 S CA -0.697 57.473 58.200 -0.050 0.000 1.001 434 S CB -0.068 63.105 63.200 -0.045 0.000 1.032 434 S HN 0.365 nan 8.310 nan 0.000 0.487 435 F N 2.308 122.274 119.950 0.026 0.000 2.631 435 F HA 0.847 5.374 4.527 -0.000 0.000 0.308 435 F C -3.054 172.793 175.800 0.078 0.000 1.097 435 F CA -2.455 55.580 58.000 0.060 0.000 0.952 435 F CB 0.789 39.832 39.000 0.071 0.000 1.307 435 F HN 0.259 nan 8.300 nan 0.000 0.450 436 P HA 0.458 nan 4.420 nan 0.000 0.279 436 P C -0.881 176.657 177.300 0.396 0.000 1.239 436 P CA 0.087 63.356 63.100 0.282 0.000 0.789 436 P CB 1.731 33.587 31.700 0.259 0.000 0.933 437 A N 2.854 125.760 122.820 0.143 0.000 3.944 437 A HA 0.429 4.749 4.320 -0.000 0.000 0.151 437 A C 1.686 179.018 177.584 -0.420 0.000 1.301 437 A CA -0.459 51.458 52.037 -0.200 0.000 1.020 437 A CB -0.635 18.367 19.000 0.004 0.000 1.627 437 A HN 0.429 nan 8.150 nan 0.000 0.661 438 L N -0.375 120.590 121.223 -0.430 0.000 2.017 438 L HA 0.197 4.537 4.340 -0.000 0.000 0.208 438 L C 1.340 178.190 176.870 -0.033 0.000 1.073 438 L CA 1.405 56.132 54.840 -0.188 0.000 0.745 438 L CB -0.665 41.314 42.059 -0.134 0.000 0.894 438 L HN 0.921 nan 8.230 nan 0.000 0.432 439 G N -2.250 106.534 108.800 -0.026 0.000 2.313 439 G HA2 0.366 4.326 3.960 -0.000 0.000 0.296 439 G HA3 0.366 4.326 3.960 -0.000 0.000 0.296 439 G C -0.659 174.242 174.900 0.002 0.000 1.356 439 G CA -0.490 44.612 45.100 0.003 0.000 0.833 439 G HN 0.206 nan 8.290 nan 0.000 0.552 440 G N -1.630 107.173 108.800 0.005 0.000 2.750 440 G HA2 0.525 4.485 3.960 -0.000 0.000 0.250 440 G HA3 0.525 4.485 3.960 -0.000 0.000 0.250 440 G C 1.374 176.274 174.900 0.000 0.000 1.230 440 G CA 1.449 46.553 45.100 0.006 0.000 0.883 440 G HN 2.415 nan 8.290 nan 0.000 0.573 441 G N -1.695 107.103 108.800 -0.004 0.000 2.141 441 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.242 441 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.242 441 G C 0.607 175.495 174.900 -0.020 0.000 0.982 441 G CA 0.732 45.822 45.100 -0.017 0.000 0.662 441 G HN 1.288 nan 8.290 nan 0.000 0.527 442 S N -0.770 114.923 115.700 -0.011 0.000 2.564 442 S HA 0.665 5.135 4.470 -0.000 0.000 0.278 442 S C 1.503 176.046 174.600 -0.094 0.000 1.333 442 S CA 0.086 58.282 58.200 -0.007 0.000 1.048 442 S CB 0.887 64.103 63.200 0.025 0.000 0.900 442 S HN 0.397 nan 8.310 nan 0.000 0.505 443 L N 2.494 123.647 121.223 -0.118 0.000 2.663 443 L HA 0.453 4.793 4.340 -0.000 0.000 0.218 443 L C -0.800 175.770 176.870 -0.500 0.000 1.043 443 L CA 0.157 54.733 54.840 -0.441 0.000 0.876 443 L CB 0.284 42.064 42.059 -0.466 0.000 1.263 443 L HN 0.508 nan 8.230 nan 0.000 0.486 444 F N 0.113 120.178 119.950 0.191 0.000 2.540 444 F HA 0.525 5.052 4.527 -0.000 0.000 0.317 444 F C -0.396 175.517 175.800 0.188 0.000 1.104 444 F CA -0.688 57.430 58.000 0.197 0.000 0.913 444 F CB 2.304 41.413 39.000 0.182 0.000 1.170 444 F HN -0.278 nan 8.300 nan 0.000 0.450 445 I N 3.205 123.975 120.570 0.332 0.000 2.569 445 I HA 0.652 4.822 4.170 -0.000 0.000 0.296 445 I C -1.315 174.991 176.117 0.315 0.000 1.028 445 I CA -0.588 60.878 61.300 0.278 0.000 1.082 445 I CB 1.612 39.686 38.000 0.122 0.000 1.264 445 I HN 0.593 nan 8.210 nan 0.000 0.429 446 K N 3.726 124.374 120.400 0.413 0.000 2.532 446 K HA 0.732 5.052 4.320 -0.000 0.000 0.265 446 K C -1.197 175.787 176.600 0.640 0.000 0.948 446 K CA -0.421 56.151 56.287 0.475 0.000 0.842 446 K CB 2.267 35.027 32.500 0.434 0.000 1.392 446 K HN 0.662 nan 8.250 nan 0.000 0.436 447 T N 0.180 115.084 114.554 0.583 0.000 2.661 447 T HA 0.430 4.780 4.350 -0.000 0.000 0.305 447 T C -2.288 172.422 174.700 0.017 0.000 1.441 447 T CA -0.493 61.867 62.100 0.433 0.000 0.999 447 T CB 0.679 69.736 68.868 0.314 0.000 1.650 447 T HN 0.578 nan 8.240 nan 0.000 0.489 448 H N 0.148 119.008 119.070 -0.349 0.000 3.079 448 H HA 0.326 4.882 4.556 -0.000 0.000 0.356 448 H C -2.448 172.764 175.328 -0.194 0.000 1.221 448 H CA -1.306 54.466 56.048 -0.461 0.000 1.185 448 H CB 2.433 31.463 29.762 -1.220 0.000 1.882 448 H HN 0.320 nan 8.280 nan 0.000 0.543 449 P HA -0.134 nan 4.420 nan 0.000 0.217 449 P C 0.898 178.239 177.300 0.068 0.000 1.148 449 P CA 1.292 64.330 63.100 -0.104 0.000 0.828 449 P CB 0.163 31.753 31.700 -0.184 0.000 0.783 450 N N -0.818 118.053 118.700 0.286 0.000 2.434 450 N HA 0.008 4.748 4.740 -0.000 0.000 0.196 450 N C -0.260 175.332 175.510 0.136 0.000 1.183 450 N CA -0.053 53.114 53.050 0.194 0.000 0.849 450 N CB 0.148 38.755 38.487 0.199 0.000 0.992 450 N HN 0.048 nan 8.380 nan 0.000 0.460 451 S N -0.357 115.408 115.700 0.109 0.000 2.599 451 S HA 0.181 4.651 4.470 -0.000 0.000 0.287 451 S C 0.348 174.950 174.600 0.003 0.000 1.105 451 S CA -0.675 57.598 58.200 0.122 0.000 0.899 451 S CB 1.838 65.210 63.200 0.286 0.000 1.100 451 S HN 0.370 nan 8.310 nan 0.000 0.482 452 Q N 1.138 120.831 119.800 -0.178 0.000 2.247 452 Q HA 0.276 4.616 4.340 -0.000 0.000 0.211 452 Q C -1.068 174.663 176.000 -0.448 0.000 0.861 452 Q CA -0.209 55.381 55.803 -0.355 0.000 0.949 452 Q CB -0.001 28.447 28.738 -0.484 0.000 1.115 452 Q HN 0.630 nan 8.270 nan 0.000 0.507 453 Y N 0.666 120.993 120.300 0.044 0.000 2.420 453 Y HA 0.500 5.050 4.550 -0.000 0.000 0.334 453 Y C -0.692 175.184 175.900 -0.040 0.000 1.094 453 Y CA -1.761 56.301 58.100 -0.063 0.000 1.126 453 Y CB 1.599 39.951 38.460 -0.180 0.000 1.217 453 Y HN 0.033 nan 8.280 nan 0.000 0.462 454 L N 3.890 125.169 121.223 0.094 0.000 2.276 454 L HA 0.475 4.815 4.340 -0.000 0.000 0.286 454 L C -1.720 175.279 176.870 0.215 0.000 1.024 454 L CA -0.790 54.164 54.840 0.189 0.000 0.826 454 L CB -0.117 42.014 42.059 0.120 0.000 1.211 454 L HN 0.437 nan 8.230 nan 0.000 0.422 455 Y N 4.294 124.851 120.300 0.428 0.000 2.326 455 Y HA 0.559 5.109 4.550 -0.000 0.000 0.337 455 Y C -0.031 176.096 175.900 0.377 0.000 1.023 455 Y CA -0.715 57.634 58.100 0.415 0.000 1.143 455 Y CB 1.393 40.186 38.460 0.555 0.000 1.183 455 Y HN 0.245 nan 8.280 nan 0.000 0.485 456 V N 4.244 124.404 119.914 0.410 0.000 2.376 456 V HA 0.239 4.359 4.120 -0.000 0.000 0.287 456 V C -0.403 175.816 176.094 0.207 0.000 1.015 456 V CA -1.087 61.394 62.300 0.302 0.000 0.834 456 V CB 0.988 32.964 31.823 0.256 0.000 1.001 456 V HN 0.799 nan 8.190 nan 0.000 0.428 457 D N 4.314 124.865 120.400 0.251 0.000 2.414 457 D HA 0.636 5.276 4.640 -0.000 0.000 0.259 457 D C 0.361 176.716 176.300 0.092 0.000 1.269 457 D CA -0.283 53.818 54.000 0.168 0.000 1.028 457 D CB 1.321 42.286 40.800 0.274 0.000 1.093 457 D HN 0.682 nan 8.370 nan 0.000 0.545 458 A N -1.246 121.612 122.820 0.064 0.000 3.019 458 A HA 0.288 4.608 4.320 -0.000 0.000 0.202 458 A C 1.087 178.692 177.584 0.035 0.000 0.924 458 A CA -0.244 51.811 52.037 0.030 0.000 1.156 458 A CB -0.773 18.222 19.000 -0.009 0.000 1.265 458 A HN 0.430 nan 8.150 nan 0.000 0.526 459 T N 0.848 115.451 114.554 0.081 0.000 2.680 459 T HA -0.222 4.128 4.350 -0.000 0.000 0.268 459 T C 1.411 176.138 174.700 0.045 0.000 1.033 459 T CA 2.139 64.301 62.100 0.104 0.000 1.152 459 T CB -0.350 68.641 68.868 0.207 0.000 0.859 459 T HN 0.497 nan 8.240 nan 0.000 0.452 460 L N 0.543 121.778 121.223 0.020 0.000 2.628 460 L HA 0.233 4.573 4.340 -0.000 0.000 0.229 460 L C 1.055 177.913 176.870 -0.020 0.000 1.137 460 L CA -0.403 54.432 54.840 -0.009 0.000 0.909 460 L CB -0.438 41.614 42.059 -0.013 0.000 1.137 460 L HN 0.214 nan 8.230 nan 0.000 0.470 461 N N 2.259 120.950 118.700 -0.015 0.000 2.441 461 N HA 0.008 4.748 4.740 -0.000 0.000 0.251 461 N C -1.527 173.967 175.510 -0.026 0.000 1.242 461 N CA -0.789 52.250 53.050 -0.018 0.000 0.898 461 N CB 1.518 39.996 38.487 -0.016 0.000 1.100 461 N HN -0.066 nan 8.380 nan 0.000 0.443 462 P HA -0.027 nan 4.420 nan 0.000 0.229 462 P C -0.091 177.192 177.300 -0.028 0.000 1.160 462 P CA 0.811 63.894 63.100 -0.028 0.000 0.777 462 P CB 0.251 31.938 31.700 -0.022 0.000 0.814 463 E N 0.127 120.312 120.200 -0.025 0.000 2.194 463 E HA 0.374 4.724 4.350 -0.000 0.000 0.284 463 E C 1.030 177.611 176.600 -0.033 0.000 1.035 463 E CA -0.383 56.002 56.400 -0.025 0.000 0.836 463 E CB 0.911 30.600 29.700 -0.018 0.000 1.070 463 E HN -0.077 nan 8.360 nan 0.000 0.401 464 A N 4.918 127.716 122.820 -0.037 0.000 2.024 464 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 464 A C 1.767 179.322 177.584 -0.048 0.000 1.164 464 A CA 1.469 53.480 52.037 -0.044 0.000 0.643 464 A CB -0.303 18.671 19.000 -0.043 0.000 0.806 464 A HN 0.865 nan 8.150 nan 0.000 0.451 465 E N -0.523 119.650 120.200 -0.044 0.000 2.072 465 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 465 E C 1.840 178.404 176.600 -0.059 0.000 0.985 465 E CA 1.219 57.588 56.400 -0.052 0.000 0.801 465 E CB -0.195 29.480 29.700 -0.041 0.000 0.750 465 E HN 0.730 nan 8.360 nan 0.000 0.452 466 I N 0.764 121.308 120.570 -0.044 0.000 2.233 466 I HA -0.216 3.954 4.170 -0.000 0.000 0.243 466 I C 2.591 178.678 176.117 -0.051 0.000 1.093 466 I CA 1.085 62.359 61.300 -0.043 0.000 1.380 466 I CB -0.207 37.779 38.000 -0.024 0.000 1.067 466 I HN 0.075 nan 8.210 nan 0.000 0.413 467 S N 0.517 116.192 115.700 -0.042 0.000 2.507 467 S HA -0.037 4.433 4.470 -0.000 0.000 0.235 467 S C 1.804 176.380 174.600 -0.040 0.000 0.988 467 S CA 0.898 59.079 58.200 -0.032 0.000 0.944 467 S CB -0.543 62.639 63.200 -0.032 0.000 0.762 467 S HN 0.477 nan 8.310 nan 0.000 0.526 468 G N -0.084 108.676 108.800 -0.066 0.000 3.088 468 G HA2 0.437 4.397 3.960 -0.000 0.000 0.217 468 G HA3 0.437 4.397 3.960 -0.000 0.000 0.217 468 G C 0.139 174.950 174.900 -0.148 0.000 1.159 468 G CA -0.204 44.845 45.100 -0.086 0.000 0.760 468 G HN 0.489 nan 8.290 nan 0.000 0.550 469 S N -1.182 114.426 115.700 -0.154 0.000 2.689 469 S HA 0.725 5.195 4.470 -0.000 0.000 0.306 469 S C -0.932 173.533 174.600 -0.225 0.000 1.104 469 S CA -0.509 57.558 58.200 -0.221 0.000 0.973 469 S CB 2.589 65.683 63.200 -0.177 0.000 1.121 469 S HN -0.058 nan 8.310 nan 0.000 0.523 470 V N 1.141 120.877 119.914 -0.296 0.000 2.656 470 V HA 0.754 4.874 4.120 -0.000 0.000 0.307 470 V C -0.245 175.746 176.094 -0.172 0.000 1.051 470 V CA -0.762 61.378 62.300 -0.268 0.000 0.893 470 V CB 1.714 33.203 31.823 -0.556 0.000 0.999 470 V HN 1.021 nan 8.190 nan 0.000 0.426 471 A N 4.317 127.057 122.820 -0.133 0.000 2.301 471 A HA 0.824 5.144 4.320 -0.000 0.000 0.312 471 A C -0.714 176.782 177.584 -0.147 0.000 1.182 471 A CA -0.416 51.487 52.037 -0.224 0.000 0.826 471 A CB 1.056 19.691 19.000 -0.608 0.000 1.134 471 A HN 0.744 nan 8.150 nan 0.000 0.501 472 V N 2.481 122.262 119.914 -0.221 0.000 2.487 472 V HA 0.510 4.630 4.120 -0.000 0.000 0.298 472 V C -0.993 174.935 176.094 -0.277 0.000 1.028 472 V CA -0.302 61.837 62.300 -0.268 0.000 0.860 472 V CB 0.940 32.527 31.823 -0.393 0.000 0.991 472 V HN 0.716 nan 8.190 nan 0.000 0.427 473 F N 1.688 121.648 119.950 0.017 0.000 2.450 473 F HA 0.476 5.003 4.527 -0.000 0.000 0.332 473 F C 0.397 176.273 175.800 0.127 0.000 1.093 473 F CA -0.758 57.291 58.000 0.080 0.000 1.003 473 F CB 1.373 40.418 39.000 0.075 0.000 1.151 473 F HN 0.417 nan 8.300 nan 0.000 0.474 474 D N 2.969 123.545 120.400 0.292 0.000 2.365 474 D HA 0.225 4.865 4.640 -0.000 0.000 0.237 474 D C 1.118 177.412 176.300 -0.010 0.000 1.190 474 D CA 0.196 54.306 54.000 0.184 0.000 0.867 474 D CB 0.576 41.478 40.800 0.169 0.000 1.050 474 D HN 0.493 nan 8.370 nan 0.000 0.491 475 I N 3.279 123.759 120.570 -0.151 0.000 2.163 475 I HA -0.296 3.874 4.170 -0.000 0.000 0.243 475 I C 2.235 178.243 176.117 -0.181 0.000 1.085 475 I CA 1.096 62.237 61.300 -0.265 0.000 1.347 475 I CB -0.004 37.721 38.000 -0.459 0.000 1.044 475 I HN 0.321 nan 8.210 nan 0.000 0.408 476 K N 0.586 120.890 120.400 -0.159 0.000 2.286 476 K HA -0.136 4.184 4.320 -0.000 0.000 0.203 476 K C 1.783 178.323 176.600 -0.099 0.000 1.045 476 K CA 1.326 57.541 56.287 -0.120 0.000 0.935 476 K CB -0.181 32.252 32.500 -0.112 0.000 0.737 476 K HN 0.378 nan 8.250 nan 0.000 0.460 477 A N 0.263 123.035 122.820 -0.080 0.000 2.275 477 A HA 0.153 4.473 4.320 -0.000 0.000 0.212 477 A C 0.571 178.108 177.584 -0.077 0.000 1.201 477 A CA -0.102 51.901 52.037 -0.056 0.000 0.843 477 A CB -0.131 18.860 19.000 -0.014 0.000 0.873 477 A HN 0.114 nan 8.150 nan 0.000 0.492 478 M N -0.109 119.411 119.600 -0.133 0.000 2.241 478 M HA 0.195 4.675 4.480 -0.000 0.000 0.335 478 M C 1.318 177.526 176.300 -0.154 0.000 1.122 478 M CA 0.800 56.011 55.300 -0.149 0.000 1.164 478 M CB 0.917 33.397 32.600 -0.200 0.000 1.459 478 M HN 0.363 nan 8.290 nan 0.000 0.461 479 T N -3.578 110.962 114.554 -0.024 0.000 3.009 479 T HA 0.267 4.617 4.350 -0.000 0.000 0.267 479 T C 1.057 175.777 174.700 0.034 0.000 0.942 479 T CA 0.264 62.359 62.100 -0.008 0.000 0.883 479 T CB 0.120 68.978 68.868 -0.018 0.000 1.192 479 T HN 1.026 nan 8.240 nan 0.000 0.524 480 G N 3.570 112.457 108.800 0.145 0.000 2.356 480 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.296 480 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.296 480 G C 0.202 175.090 174.900 -0.019 0.000 1.022 480 G CA 0.588 45.676 45.100 -0.021 0.000 0.961 480 G HN 0.830 nan 8.290 nan 0.000 0.510 481 D N -1.833 118.601 120.400 0.057 0.000 2.469 481 D HA 0.391 5.031 4.640 -0.000 0.000 0.215 481 D C 1.658 178.006 176.300 0.080 0.000 1.154 481 D CA 0.528 54.557 54.000 0.048 0.000 0.832 481 D CB -0.258 40.555 40.800 0.021 0.000 1.008 481 D HN 1.422 nan 8.370 nan 0.000 0.506 482 G N 0.826 109.698 108.800 0.121 0.000 2.317 482 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.227 482 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.227 482 G C 0.433 175.399 174.900 0.110 0.000 1.042 482 G CA 0.243 45.415 45.100 0.119 0.000 0.623 482 G HN 0.931 nan 8.290 nan 0.000 0.509 483 S N 1.583 117.334 115.700 0.085 0.000 2.549 483 S HA 0.449 4.919 4.470 -0.000 0.000 0.283 483 S C -0.193 174.453 174.600 0.077 0.000 1.320 483 S CA 0.082 58.325 58.200 0.072 0.000 1.058 483 S CB 1.112 64.339 63.200 0.046 0.000 0.882 483 S HN 0.261 nan 8.310 nan 0.000 0.498 484 D N 5.224 125.683 120.400 0.099 0.000 2.401 484 D HA 0.259 4.899 4.640 -0.000 0.000 0.254 484 D C -1.739 174.593 176.300 0.053 0.000 1.192 484 D CA -0.865 53.209 54.000 0.122 0.000 0.885 484 D CB 0.399 41.323 40.800 0.206 0.000 1.147 484 D HN 0.487 nan 8.370 nan 0.000 0.478 485 P HA 0.015 nan 4.420 nan 0.000 0.268 485 P C -0.082 177.341 177.300 0.205 0.000 1.208 485 P CA -0.113 62.965 63.100 -0.037 0.000 0.777 485 P CB 0.748 32.270 31.700 -0.297 0.000 0.875 486 E N 1.383 121.661 120.200 0.129 0.000 2.250 486 E HA 0.600 4.950 4.350 -0.000 0.000 0.269 486 E C -0.533 176.036 176.600 -0.051 0.000 1.018 486 E CA -0.720 55.684 56.400 0.007 0.000 0.873 486 E CB 0.760 30.391 29.700 -0.115 0.000 1.134 486 E HN 0.426 nan 8.360 nan 0.000 0.403 487 F N -1.385 118.367 119.950 -0.329 0.000 2.588 487 F HA 0.589 5.116 4.527 -0.000 0.000 0.314 487 F C -0.599 174.990 175.800 -0.351 0.000 1.069 487 F CA -1.501 56.124 58.000 -0.626 0.000 0.931 487 F CB 1.485 39.761 39.000 -1.207 0.000 1.260 487 F HN 0.284 nan 8.300 nan 0.000 0.465 488 K N 1.024 121.340 120.400 -0.140 0.000 2.156 488 K HA 0.484 4.804 4.320 -0.000 0.000 0.271 488 K C -0.998 175.593 176.600 -0.016 0.000 0.995 488 K CA -0.452 55.760 56.287 -0.125 0.000 0.890 488 K CB 1.447 33.862 32.500 -0.141 0.000 1.073 488 K HN 0.882 nan 8.250 nan 0.000 0.454 489 T N 5.072 119.606 114.554 -0.032 0.000 2.744 489 T HA 0.297 4.647 4.350 -0.000 0.000 0.291 489 T C -0.217 174.376 174.700 -0.178 0.000 0.957 489 T CA -0.529 61.550 62.100 -0.036 0.000 1.002 489 T CB 0.205 69.071 68.868 -0.004 0.000 0.919 489 T HN 0.389 nan 8.240 nan 0.000 0.468 490 L N 6.609 127.667 121.223 -0.275 0.000 2.275 490 L HA 0.382 4.722 4.340 -0.000 0.000 0.288 490 L C -1.928 174.537 176.870 -0.675 0.000 1.046 490 L CA -2.281 52.237 54.840 -0.536 0.000 0.805 490 L CB 1.280 43.028 42.059 -0.519 0.000 1.193 490 L HN 0.359 nan 8.230 nan 0.000 0.426 491 P HA 0.145 nan 4.420 nan 0.000 0.219 491 P C 0.895 177.684 177.300 -0.850 0.000 1.847 491 P CA -0.379 62.299 63.100 -0.703 0.000 1.059 491 P CB 0.291 31.672 31.700 -0.531 0.000 1.900 492 I N 1.374 121.561 120.570 -0.640 0.000 2.163 492 I HA -0.238 3.932 4.170 -0.000 0.000 0.243 492 I C 2.275 178.314 176.117 -0.130 0.000 1.085 492 I CA 1.610 62.704 61.300 -0.343 0.000 1.347 492 I CB -2.002 35.816 38.000 -0.304 0.000 1.044 492 I HN 0.160 nan 8.210 nan 0.000 0.408 493 A N 0.487 123.226 122.820 -0.135 0.000 1.877 493 A HA -0.245 4.075 4.320 -0.000 0.000 0.216 493 A C 2.401 179.963 177.584 -0.036 0.000 1.186 493 A CA 1.813 53.815 52.037 -0.058 0.000 0.620 493 A CB -0.799 18.167 19.000 -0.057 0.000 0.822 493 A HN 0.520 nan 8.150 nan 0.000 0.443 494 E N -1.144 119.009 120.200 -0.078 0.000 2.049 494 E HA -0.261 4.089 4.350 -0.000 0.000 0.198 494 E C 1.808 178.461 176.600 0.089 0.000 1.007 494 E CA 1.675 58.057 56.400 -0.030 0.000 0.809 494 E CB -0.269 29.382 29.700 -0.081 0.000 0.749 494 E HN 0.745 nan 8.360 nan 0.000 0.450 495 W N 0.256 121.512 121.300 -0.074 0.000 2.325 495 W HA -0.112 4.548 4.660 -0.000 0.000 0.299 495 W C 2.452 178.912 176.519 -0.098 0.000 1.215 495 W CA 1.220 58.514 57.345 -0.086 0.000 1.244 495 W CB -1.128 28.275 29.460 -0.095 0.000 1.140 495 W HN 0.242 nan 8.180 nan 0.000 0.523 496 A N -0.562 122.339 122.820 0.136 0.000 2.066 496 A HA 0.269 4.589 4.320 -0.000 0.000 0.218 496 A C 1.928 179.515 177.584 0.004 0.000 1.157 496 A CA 1.860 53.916 52.037 0.032 0.000 0.670 496 A CB -0.875 18.135 19.000 0.017 0.000 0.804 496 A HN 0.686 nan 8.150 nan 0.000 0.453 497 G N -1.366 107.446 108.800 0.019 0.000 2.132 497 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.234 497 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.234 497 G C 0.006 174.902 174.900 -0.006 0.000 0.989 497 G CA 0.230 45.331 45.100 0.002 0.000 0.676 497 G HN 0.495 nan 8.290 nan 0.000 0.522 498 I N 1.382 121.949 120.570 -0.004 0.000 2.336 498 I HA 0.493 4.663 4.170 -0.000 0.000 0.292 498 I C 1.369 177.478 176.117 -0.013 0.000 0.991 498 I CA 0.179 61.475 61.300 -0.007 0.000 1.227 498 I CB 1.671 39.671 38.000 -0.001 0.000 1.366 498 I HN 0.218 nan 8.210 nan 0.000 0.466 499 T N 0.405 114.950 114.554 -0.015 0.000 3.105 499 T HA 0.111 4.461 4.350 -0.000 0.000 0.257 499 T C 0.327 175.014 174.700 -0.022 0.000 0.949 499 T CA -0.448 61.639 62.100 -0.020 0.000 0.959 499 T CB -0.183 68.673 68.868 -0.019 0.000 1.205 499 T HN 0.522 nan 8.240 nan 0.000 0.496 500 E N 2.453 122.642 120.200 -0.018 0.000 2.415 500 E HA 0.485 4.835 4.350 -0.000 0.000 0.262 500 E C 1.179 177.765 176.600 -0.024 0.000 1.038 500 E CA 0.196 56.585 56.400 -0.019 0.000 0.921 500 E CB -0.557 29.134 29.700 -0.015 0.000 0.950 500 E HN 0.629 nan 8.360 nan 0.000 0.438 501 G N 1.540 110.324 108.800 -0.027 0.000 2.547 501 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.271 501 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.271 501 G C -0.467 174.401 174.900 -0.052 0.000 1.209 501 G CA 0.412 45.490 45.100 -0.037 0.000 0.959 501 G HN 0.839 nan 8.290 nan 0.000 0.563 502 Q N 1.708 121.462 119.800 -0.076 0.000 2.674 502 Q HA 0.538 4.878 4.340 -0.000 0.000 0.249 502 Q C -2.469 173.461 176.000 -0.118 0.000 1.011 502 Q CA -2.070 53.673 55.803 -0.100 0.000 0.734 502 Q CB 1.540 30.201 28.738 -0.129 0.000 1.201 502 Q HN 0.529 nan 8.270 nan 0.000 0.498 503 P HA 0.210 nan 4.420 nan 0.000 0.276 503 P C -0.853 176.426 177.300 -0.036 0.000 1.264 503 P CA -0.032 63.046 63.100 -0.037 0.000 0.769 503 P CB 0.559 32.249 31.700 -0.016 0.000 0.840 504 R N 2.320 122.811 120.500 -0.014 0.000 2.343 504 R HA 0.468 4.808 4.340 -0.000 0.000 0.320 504 R C -0.509 175.891 176.300 0.167 0.000 0.956 504 R CA -1.051 55.067 56.100 0.030 0.000 0.836 504 R CB 1.749 32.009 30.300 -0.066 0.000 1.151 504 R HN 0.246 nan 8.270 nan 0.000 0.450 505 V N 4.231 124.215 119.914 0.116 0.000 2.498 505 V HA 0.325 4.445 4.120 -0.000 0.000 0.279 505 V C -0.127 176.101 176.094 0.223 0.000 1.048 505 V CA -0.278 62.105 62.300 0.138 0.000 0.967 505 V CB 1.522 33.351 31.823 0.009 0.000 0.988 505 V HN 0.478 nan 8.190 nan 0.000 0.473 506 V N 5.400 125.486 119.914 0.286 0.000 2.932 506 V HA 0.521 4.641 4.120 -0.000 0.000 0.307 506 V C -0.484 175.761 176.094 0.251 0.000 1.147 506 V CA -0.411 62.084 62.300 0.326 0.000 0.951 506 V CB 1.824 33.854 31.823 0.345 0.000 1.031 506 V HN 1.065 nan 8.190 nan 0.000 0.426 507 Q N 2.722 122.680 119.800 0.264 0.000 3.006 507 Q HA -0.145 4.195 4.340 -0.000 0.000 0.074 507 Q C -0.081 175.814 176.000 -0.175 0.000 1.588 507 Q CA 0.904 56.655 55.803 -0.086 0.000 0.373 507 Q CB -0.719 27.567 28.738 -0.753 0.000 0.606 507 Q HN 1.408 nan 8.270 nan 0.000 0.321 508 G N 3.036 111.685 108.800 -0.252 0.000 2.476 508 G HA2 0.440 4.400 3.960 -0.000 0.000 0.269 508 G HA3 0.440 4.400 3.960 -0.000 0.000 0.269 508 G C -0.759 173.877 174.900 -0.441 0.000 1.195 508 G CA 0.102 44.671 45.100 -0.885 0.000 0.843 508 G HN 0.572 nan 8.290 nan 0.000 0.545 509 E N 0.317 120.264 120.200 -0.422 0.000 2.311 509 E HA 0.492 4.842 4.350 -0.000 0.000 0.281 509 E C -1.424 175.134 176.600 -0.071 0.000 0.905 509 E CA -0.681 55.641 56.400 -0.131 0.000 0.778 509 E CB 0.887 30.514 29.700 -0.123 0.000 1.240 509 E HN 0.226 nan 8.360 nan 0.000 0.410 510 F N 2.776 122.724 119.950 -0.002 0.000 2.370 510 F HA 0.379 4.906 4.527 -0.000 0.000 0.319 510 F C 1.320 177.098 175.800 -0.038 0.000 1.129 510 F CA -0.346 57.666 58.000 0.020 0.000 1.109 510 F CB 0.630 39.635 39.000 0.009 0.000 1.262 510 F HN 0.522 nan 8.300 nan 0.000 0.534 511 N N 0.929 119.775 118.700 0.245 0.000 2.364 511 N HA 0.099 4.839 4.740 -0.000 0.000 0.264 511 N C 0.673 176.206 175.510 0.039 0.000 1.263 511 N CA -0.576 52.553 53.050 0.130 0.000 0.959 511 N CB 0.298 38.949 38.487 0.272 0.000 1.204 511 N HN 0.655 nan 8.380 nan 0.000 0.550 512 K N -0.616 119.785 120.400 0.001 0.000 2.044 512 K HA -0.191 4.129 4.320 -0.000 0.000 0.210 512 K C 0.181 176.744 176.600 -0.061 0.000 1.049 512 K CA 1.944 58.209 56.287 -0.036 0.000 0.927 512 K CB -0.143 32.283 32.500 -0.123 0.000 0.713 512 K HN 0.480 nan 8.250 nan 0.000 0.443 513 D N -0.826 119.546 120.400 -0.047 0.000 2.355 513 D HA 0.049 4.689 4.640 -0.000 0.000 0.218 513 D C 0.758 176.991 176.300 -0.111 0.000 1.004 513 D CA 1.030 55.004 54.000 -0.042 0.000 0.880 513 D CB 0.255 41.054 40.800 -0.001 0.000 0.911 513 D HN 0.526 nan 8.370 nan 0.000 0.528 514 G N 1.177 109.799 108.800 -0.297 0.000 2.273 514 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.280 514 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.280 514 G C 1.069 175.985 174.900 0.026 0.000 1.047 514 G CA 1.137 45.878 45.100 -0.598 0.000 0.869 514 G HN 0.420 nan 8.290 nan 0.000 0.502 515 T N -3.704 110.940 114.554 0.150 0.000 3.023 515 T HA 0.412 4.762 4.350 -0.000 0.000 0.249 515 T C 0.605 175.460 174.700 0.258 0.000 1.050 515 T CA 0.890 63.112 62.100 0.203 0.000 1.088 515 T CB 0.844 69.798 68.868 0.143 0.000 0.946 515 T HN 0.501 nan 8.240 nan 0.000 0.480 516 E N 0.448 120.807 120.200 0.265 0.000 2.293 516 E HA 0.631 4.981 4.350 -0.000 0.000 0.270 516 E C -1.890 174.732 176.600 0.036 0.000 0.879 516 E CA -0.904 55.619 56.400 0.204 0.000 0.756 516 E CB 3.319 33.198 29.700 0.298 0.000 1.208 516 E HN 0.080 nan 8.360 nan 0.000 0.428 517 V N 3.424 123.201 119.914 -0.229 0.000 2.448 517 V HA 0.469 4.589 4.120 -0.000 0.000 0.295 517 V C -1.537 174.424 176.094 -0.221 0.000 1.025 517 V CA -0.498 61.410 62.300 -0.653 0.000 0.859 517 V CB 0.535 31.457 31.823 -1.502 0.000 0.988 517 V HN 0.584 nan 8.190 nan 0.000 0.431 518 W N 5.802 126.775 121.300 -0.545 0.000 2.438 518 W HA 0.721 5.381 4.660 -0.000 0.000 0.324 518 W C -0.570 175.602 176.519 -0.579 0.000 1.119 518 W CA -1.006 56.094 57.345 -0.408 0.000 1.221 518 W CB 0.986 30.221 29.460 -0.375 0.000 1.253 518 W HN 0.395 nan 8.180 nan 0.000 0.555 519 F N 0.892 120.864 119.950 0.036 0.000 2.576 519 F HA 0.416 4.943 4.527 -0.000 0.000 0.313 519 F C 0.371 176.176 175.800 0.008 0.000 1.078 519 F CA -1.035 56.968 58.000 0.004 0.000 0.921 519 F CB 1.796 40.790 39.000 -0.009 0.000 1.232 519 F HN -0.044 nan 8.300 nan 0.000 0.459 520 S N 1.439 117.258 115.700 0.198 0.000 2.499 520 S HA 0.462 4.932 4.470 -0.000 0.000 0.279 520 S C -0.494 174.207 174.600 0.169 0.000 1.219 520 S CA -0.631 57.645 58.200 0.127 0.000 1.062 520 S CB 1.194 64.424 63.200 0.050 0.000 0.978 520 S HN 0.329 nan 8.310 nan 0.000 0.489 521 V N 5.147 125.142 119.914 0.136 0.000 2.258 521 V HA 0.152 4.272 4.120 -0.000 0.000 0.258 521 V C -0.429 175.793 176.094 0.214 0.000 1.121 521 V CA -0.713 61.670 62.300 0.140 0.000 0.942 521 V CB -0.374 31.495 31.823 0.076 0.000 1.170 521 V HN 0.856 nan 8.190 nan 0.000 0.487 522 W N 6.054 127.373 121.300 0.032 0.000 2.419 522 W HA 0.406 5.066 4.660 -0.000 0.000 0.312 522 W C -0.102 176.432 176.519 0.025 0.000 1.323 522 W CA -0.478 56.887 57.345 0.034 0.000 1.293 522 W CB 0.289 29.778 29.460 0.047 0.000 1.324 522 W HN 0.444 nan 8.180 nan 0.000 0.512 523 N N 2.595 121.463 118.700 0.280 0.000 2.453 523 N HA 0.590 5.330 4.740 -0.000 0.000 0.290 523 N C -0.061 175.507 175.510 0.098 0.000 1.250 523 N CA -0.372 52.716 53.050 0.063 0.000 0.815 523 N CB 1.678 40.198 38.487 0.055 0.000 1.381 523 N HN 0.480 nan 8.380 nan 0.000 0.510 524 G N 0.266 109.072 108.800 0.010 0.000 2.664 524 G HA2 0.015 3.975 3.960 -0.000 0.000 0.242 524 G HA3 0.015 3.975 3.960 -0.000 0.000 0.242 524 G C 0.896 175.847 174.900 0.086 0.000 1.225 524 G CA -0.071 45.055 45.100 0.044 0.000 0.849 524 G HN 0.711 nan 8.290 nan 0.000 0.581 525 K N -0.603 119.854 120.400 0.094 0.000 2.103 525 K HA -0.116 4.204 4.320 -0.000 0.000 0.207 525 K C 0.956 177.587 176.600 0.051 0.000 1.048 525 K CA 1.699 58.036 56.287 0.083 0.000 0.930 525 K CB 0.044 32.590 32.500 0.076 0.000 0.716 525 K HN 0.395 nan 8.250 nan 0.000 0.444 526 D N 0.367 120.788 120.400 0.035 0.000 2.325 526 D HA 0.045 4.685 4.640 -0.000 0.000 0.225 526 D C -0.022 176.287 176.300 0.015 0.000 1.096 526 D CA 0.300 54.312 54.000 0.019 0.000 0.844 526 D CB 0.418 41.223 40.800 0.007 0.000 0.925 526 D HN 0.181 nan 8.370 nan 0.000 0.513 527 Q N -0.203 119.611 119.800 0.023 0.000 2.712 527 Q HA 0.350 4.690 4.340 -0.000 0.000 0.267 527 Q C -0.317 175.698 176.000 0.025 0.000 1.062 527 Q CA -0.606 55.206 55.803 0.016 0.000 0.888 527 Q CB 1.243 29.987 28.738 0.009 0.000 1.374 527 Q HN 0.069 nan 8.270 nan 0.000 0.498 528 E N 0.295 120.505 120.200 0.018 0.000 2.197 528 E HA 0.426 4.776 4.350 -0.000 0.000 0.281 528 E C -0.903 175.718 176.600 0.034 0.000 0.995 528 E CA -0.016 56.396 56.400 0.020 0.000 0.808 528 E CB 0.987 30.690 29.700 0.006 0.000 1.093 528 E HN 0.400 nan 8.360 nan 0.000 0.394 529 S N 1.251 116.979 115.700 0.046 0.000 2.759 529 S HA 0.958 5.428 4.470 -0.000 0.000 0.310 529 S C -1.120 173.501 174.600 0.035 0.000 1.123 529 S CA -0.385 57.855 58.200 0.066 0.000 0.959 529 S CB 1.809 65.074 63.200 0.108 0.000 1.172 529 S HN 0.713 nan 8.310 nan 0.000 0.539 530 A N 0.399 123.241 122.820 0.037 0.000 2.567 530 A HA 0.631 4.951 4.320 -0.000 0.000 0.291 530 A C -2.237 175.344 177.584 -0.005 0.000 1.048 530 A CA -0.734 51.301 52.037 -0.003 0.000 0.661 530 A CB 0.485 19.469 19.000 -0.026 0.000 1.288 530 A HN 0.595 nan 8.150 nan 0.000 0.424 531 L N 0.777 121.962 121.223 -0.064 0.000 2.329 531 L HA 0.680 5.020 4.340 -0.000 0.000 0.279 531 L C -0.745 176.016 176.870 -0.182 0.000 1.014 531 L CA -1.103 53.676 54.840 -0.101 0.000 0.814 531 L CB 1.753 43.717 42.059 -0.158 0.000 1.257 531 L HN 0.441 nan 8.230 nan 0.000 0.424 532 V N 3.810 123.657 119.914 -0.110 0.000 2.417 532 V HA 0.329 4.448 4.120 -0.000 0.000 0.291 532 V C -0.007 175.967 176.094 -0.200 0.000 1.024 532 V CA -0.610 61.629 62.300 -0.102 0.000 0.861 532 V CB 2.175 34.054 31.823 0.093 0.000 0.985 532 V HN 0.421 nan 8.190 nan 0.000 0.436 533 V N 6.335 126.014 119.914 -0.393 0.000 2.364 533 V HA 0.380 4.500 4.120 -0.000 0.000 0.272 533 V C 0.034 176.027 176.094 -0.169 0.000 1.036 533 V CA -0.451 61.560 62.300 -0.481 0.000 0.880 533 V CB 1.584 32.886 31.823 -0.869 0.000 0.991 533 V HN 0.594 nan 8.190 nan 0.000 0.460 534 V N 3.889 123.801 119.914 -0.003 0.000 2.472 534 V HA 0.272 4.392 4.120 -0.000 0.000 0.290 534 V C 0.031 176.173 176.094 0.080 0.000 1.037 534 V CA -0.621 61.742 62.300 0.106 0.000 0.908 534 V CB 1.924 33.918 31.823 0.286 0.000 0.985 534 V HN 0.980 nan 8.190 nan 0.000 0.454 535 D N 2.557 123.004 120.400 0.079 0.000 2.338 535 D HA 0.077 4.717 4.640 -0.000 0.000 0.255 535 D C 0.932 177.352 176.300 0.201 0.000 1.237 535 D CA -0.008 54.060 54.000 0.113 0.000 0.883 535 D CB 1.032 41.870 40.800 0.065 0.000 1.087 535 D HN 0.691 nan 8.370 nan 0.000 0.485 536 D N 3.035 123.594 120.400 0.265 0.000 2.117 536 D HA -0.197 4.443 4.640 -0.000 0.000 0.197 536 D C 1.425 177.983 176.300 0.430 0.000 0.987 536 D CA 1.194 55.450 54.000 0.427 0.000 0.829 536 D CB 0.385 41.504 40.800 0.533 0.000 0.961 536 D HN 0.209 nan 8.370 nan 0.000 0.460 537 K N -0.575 120.010 120.400 0.308 0.000 2.097 537 K HA -0.080 4.240 4.320 -0.000 0.000 0.206 537 K C 2.226 178.978 176.600 0.254 0.000 1.049 537 K CA 1.737 58.189 56.287 0.276 0.000 0.933 537 K CB -0.685 31.922 32.500 0.178 0.000 0.717 537 K HN 0.461 nan 8.250 nan 0.000 0.442 538 T N -2.210 112.452 114.554 0.181 0.000 2.990 538 T HA 0.218 4.568 4.350 -0.000 0.000 0.250 538 T C 0.945 175.701 174.700 0.093 0.000 1.041 538 T CA -0.216 61.957 62.100 0.122 0.000 1.010 538 T CB -0.002 68.909 68.868 0.073 0.000 1.003 538 T HN 0.192 nan 8.240 nan 0.000 0.499 539 L N 0.539 121.833 121.223 0.119 0.000 3.730 539 L HA -0.155 4.185 4.340 -0.000 0.000 0.410 539 L C -0.443 176.548 176.870 0.203 0.000 1.234 539 L CA 0.352 55.268 54.840 0.127 0.000 0.911 539 L CB -2.046 39.983 42.059 -0.050 0.000 1.942 539 L HN 0.503 nan 8.230 nan 0.000 0.860 540 E N 0.047 120.303 120.200 0.093 0.000 2.244 540 E HA 0.542 4.892 4.350 -0.000 0.000 0.266 540 E C -0.327 176.057 176.600 -0.360 0.000 0.914 540 E CA -1.298 55.042 56.400 -0.100 0.000 0.794 540 E CB 2.389 32.019 29.700 -0.117 0.000 1.210 540 E HN 0.098 nan 8.360 nan 0.000 0.414 541 L N 2.564 123.183 121.223 -1.006 0.000 2.601 541 L HA -0.050 4.290 4.340 -0.000 0.000 0.277 541 L C 0.768 177.362 176.870 -0.459 0.000 1.219 541 L CA 0.920 55.169 54.840 -0.985 0.000 0.915 541 L CB 0.375 41.619 42.059 -1.358 0.000 1.160 541 L HN 0.511 nan 8.230 nan 0.000 0.494 542 K N 3.244 123.460 120.400 -0.306 0.000 2.306 542 K HA 0.176 4.496 4.320 -0.000 0.000 0.200 542 K C -0.421 176.046 176.600 -0.223 0.000 1.083 542 K CA 0.663 56.830 56.287 -0.201 0.000 0.959 542 K CB 0.109 32.543 32.500 -0.110 0.000 0.994 542 K HN 0.842 nan 8.250 nan 0.000 0.492 543 H N -1.698 117.082 119.070 -0.483 0.000 3.060 543 H HA 0.464 5.020 4.556 -0.000 0.000 0.330 543 H C -1.995 173.022 175.328 -0.518 0.000 1.305 543 H CA -0.815 54.892 56.048 -0.570 0.000 1.209 543 H CB 1.539 30.704 29.762 -0.994 0.000 1.913 543 H HN -0.172 nan 8.280 nan 0.000 0.534 544 V N 5.567 125.025 119.914 -0.761 0.000 2.409 544 V HA 0.356 4.476 4.120 -0.000 0.000 0.291 544 V C -0.029 175.812 176.094 -0.421 0.000 1.020 544 V CA -0.528 61.496 62.300 -0.461 0.000 0.848 544 V CB 1.188 32.812 31.823 -0.331 0.000 0.990 544 V HN 0.542 nan 8.190 nan 0.000 0.430 545 I N 5.221 125.645 120.570 -0.244 0.000 2.331 545 I HA 0.512 4.682 4.170 -0.000 0.000 0.292 545 I C 0.038 176.097 176.117 -0.097 0.000 0.998 545 I CA -0.320 60.900 61.300 -0.133 0.000 1.267 545 I CB 1.122 39.028 38.000 -0.157 0.000 1.386 545 I HN 0.497 nan 8.210 nan 0.000 0.476 546 K N 4.883 125.243 120.400 -0.066 0.000 2.464 546 K HA 0.549 4.869 4.320 -0.000 0.000 0.253 546 K C -1.502 175.087 176.600 -0.019 0.000 0.933 546 K CA -0.854 55.407 56.287 -0.043 0.000 0.801 546 K CB 2.654 35.121 32.500 -0.055 0.000 1.271 546 K HN 0.534 nan 8.250 nan 0.000 0.430 547 D N 1.068 121.464 120.400 -0.007 0.000 2.722 547 D HA -0.018 4.622 4.640 -0.000 0.000 0.231 547 D C -0.035 176.270 176.300 0.007 0.000 1.218 547 D CA -0.225 53.776 54.000 0.002 0.000 0.753 547 D CB 1.978 42.782 40.800 0.007 0.000 1.471 547 D HN 0.501 nan 8.370 nan 0.000 0.455 548 E N 1.470 121.674 120.200 0.008 0.000 2.153 548 E HA -0.088 4.262 4.350 -0.000 0.000 0.194 548 E C 1.550 178.161 176.600 0.018 0.000 0.988 548 E CA 1.583 57.989 56.400 0.011 0.000 0.811 548 E CB 0.188 29.894 29.700 0.009 0.000 0.746 548 E HN 0.355 nan 8.360 nan 0.000 0.466 549 R N -0.701 119.811 120.500 0.019 0.000 2.240 549 R HA 0.102 4.442 4.340 -0.000 0.000 0.203 549 R C 0.438 176.756 176.300 0.029 0.000 1.011 549 R CA 0.032 56.146 56.100 0.023 0.000 1.007 549 R CB -0.088 30.225 30.300 0.022 0.000 0.911 549 R HN 0.088 nan 8.270 nan 0.000 0.468 550 L N 2.120 123.360 121.223 0.028 0.000 2.382 550 L HA 0.107 4.447 4.340 -0.000 0.000 0.259 550 L C -0.794 176.103 176.870 0.044 0.000 1.291 550 L CA 0.087 54.947 54.840 0.033 0.000 1.176 550 L CB 0.376 42.451 42.059 0.026 0.000 1.373 550 L HN -0.201 nan 8.230 nan 0.000 0.426 551 V N 2.499 122.443 119.914 0.049 0.000 2.439 551 V HA 0.238 4.358 4.120 -0.000 0.000 0.282 551 V C 0.830 176.973 176.094 0.082 0.000 1.039 551 V CA -0.155 62.186 62.300 0.068 0.000 0.913 551 V CB 1.118 32.980 31.823 0.064 0.000 0.983 551 V HN 0.827 nan 8.190 nan 0.000 0.460 552 T N 3.732 118.369 114.554 0.138 0.000 3.151 552 T HA -0.121 4.229 4.350 -0.000 0.000 0.438 552 T C -1.806 172.885 174.700 -0.016 0.000 0.772 552 T CA -0.110 62.106 62.100 0.194 0.000 2.200 552 T CB -1.671 67.356 68.868 0.265 0.000 1.653 552 T HN 0.586 nan 8.240 nan 0.000 0.581 553 P HA 0.270 nan 4.420 nan 0.000 0.282 553 P C 0.902 178.062 177.300 -0.233 0.000 1.262 553 P CA -0.128 62.924 63.100 -0.079 0.000 0.773 553 P CB 1.591 33.292 31.700 0.001 0.000 0.879 554 T N 0.850 115.216 114.554 -0.314 0.000 2.638 554 T HA 0.380 4.730 4.350 -0.000 0.000 0.169 554 T C 1.012 175.519 174.700 -0.322 0.000 0.790 554 T CA 0.040 61.870 62.100 -0.450 0.000 1.151 554 T CB -0.861 67.574 68.868 -0.722 0.000 2.581 554 T HN 0.321 nan 8.240 nan 0.000 0.391 555 G N 2.024 110.615 108.800 -0.350 0.000 2.380 555 G HA2 0.472 4.432 3.960 -0.000 0.000 0.242 555 G HA3 0.472 4.432 3.960 -0.000 0.000 0.242 555 G C -0.956 173.678 174.900 -0.443 0.000 1.298 555 G CA -0.402 44.425 45.100 -0.455 0.000 0.878 555 G HN 0.632 nan 8.290 nan 0.000 0.542 556 K N 1.138 121.134 120.400 -0.672 0.000 2.426 556 K HA 0.435 4.755 4.320 -0.000 0.000 0.254 556 K C -1.445 174.680 176.600 -0.791 0.000 0.936 556 K CA -0.417 55.614 56.287 -0.427 0.000 0.801 556 K CB 2.279 34.721 32.500 -0.097 0.000 1.139 556 K HN 0.406 nan 8.250 nan 0.000 0.424 557 F N 1.990 121.909 119.950 -0.053 0.000 2.496 557 F HA 0.239 4.766 4.527 -0.000 0.000 0.341 557 F C 0.407 176.027 175.800 -0.300 0.000 1.134 557 F CA -0.969 56.952 58.000 -0.133 0.000 0.968 557 F CB 1.405 40.364 39.000 -0.069 0.000 1.205 557 F HN 0.485 nan 8.300 nan 0.000 0.436 558 N N 2.845 121.321 118.700 -0.374 0.000 2.497 558 N HA 0.064 4.804 4.740 -0.000 0.000 0.271 558 N C 0.972 176.360 175.510 -0.203 0.000 1.142 558 N CA -0.048 52.585 53.050 -0.695 0.000 0.965 558 N CB 1.526 39.490 38.487 -0.871 0.000 1.077 558 N HN 0.474 nan 8.380 nan 0.000 0.462 559 V N 4.623 124.453 119.914 -0.140 0.000 2.231 559 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 559 V C 1.824 177.953 176.094 0.057 0.000 1.054 559 V CA 1.893 64.198 62.300 0.010 0.000 1.015 559 V CB -1.105 30.752 31.823 0.056 0.000 0.638 559 V HN 0.773 nan 8.190 nan 0.000 0.444 560 Y N 1.262 121.547 120.300 -0.024 0.000 2.181 560 Y HA -0.252 4.298 4.550 -0.000 0.000 0.288 560 Y C 2.384 178.319 175.900 0.058 0.000 1.146 560 Y CA 2.328 60.444 58.100 0.027 0.000 1.164 560 Y CB -0.437 38.042 38.460 0.032 0.000 0.982 560 Y HN 0.378 nan 8.280 nan 0.000 0.515 561 N N -1.403 117.410 118.700 0.188 0.000 2.244 561 N HA -0.144 4.596 4.740 -0.000 0.000 0.183 561 N C 1.452 177.042 175.510 0.134 0.000 1.016 561 N CA 1.494 54.655 53.050 0.184 0.000 0.866 561 N CB -0.097 38.535 38.487 0.241 0.000 0.980 561 N HN 0.302 nan 8.380 nan 0.000 0.430 562 T N 1.515 116.128 114.554 0.099 0.000 2.851 562 T HA -0.072 4.278 4.350 -0.000 0.000 0.262 562 T C 2.051 176.774 174.700 0.039 0.000 1.043 562 T CA 0.887 63.048 62.100 0.102 0.000 1.140 562 T CB -0.110 68.798 68.868 0.068 0.000 0.872 562 T HN 0.371 nan 8.240 nan 0.000 0.446 563 M N 2.022 121.609 119.600 -0.021 0.000 2.296 563 M HA -0.007 4.473 4.480 -0.000 0.000 0.265 563 M C 1.957 178.215 176.300 -0.071 0.000 1.064 563 M CA 1.786 57.059 55.300 -0.046 0.000 1.109 563 M CB -0.862 31.702 32.600 -0.059 0.000 1.396 563 M HN 0.199 nan 8.290 nan 0.000 0.430 564 T N -4.004 110.458 114.554 -0.154 0.000 3.069 564 T HA 0.179 4.529 4.350 -0.000 0.000 0.252 564 T C -0.096 174.614 174.700 0.017 0.000 1.053 564 T CA -0.050 61.984 62.100 -0.109 0.000 0.964 564 T CB -0.260 68.404 68.868 -0.339 0.000 1.005 564 T HN 0.479 nan 8.240 nan 0.000 0.532 565 D N 1.438 121.877 120.400 0.064 0.000 2.705 565 D HA -0.108 4.532 4.640 -0.000 0.000 0.240 565 D C -0.746 175.511 176.300 -0.071 0.000 1.137 565 D CA 0.882 54.949 54.000 0.112 0.000 0.677 565 D CB -1.942 38.843 40.800 -0.025 0.000 1.049 565 D HN 0.444 nan 8.370 nan 0.000 0.427 566 T N 1.305 115.887 114.554 0.047 0.000 2.747 566 T HA 0.503 4.853 4.350 -0.000 0.000 0.301 566 T C 0.054 174.807 174.700 0.088 0.000 0.952 566 T CA -0.384 61.699 62.100 -0.029 0.000 0.983 566 T CB 0.295 69.192 68.868 0.048 0.000 0.930 566 T HN 0.291 nan 8.240 nan 0.000 0.494 567 Y N 0.000 120.370 120.300 0.117 0.000 2.660 567 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 567 Y CA 0.000 58.191 58.100 0.151 0.000 1.940 567 Y CB 0.000 38.596 38.460 0.227 0.000 1.050 567 Y HN 0.000 nan 8.280 nan 0.000 0.758