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 2c10_1_D DATA FIRST_RESID 39 DATA SEQUENCE PHcPXXXXXX XXXXXXXXXQ LFADLSREEL TAVMRFLTQR LGPGLVDAAQ DATA SEQUENCE ARPSDNCVFS VELQLPPKAA ALAHLDRGSP PPAREALAIV FFGRQPQPNV DATA SEQUENCE SELVVGPLPH PSYMRDVTVE RHGGPLPYHR RPVLFQEYLD IDQMIFNREL DATA SEQUENCE PQASGLLHHC CFYKHRGRNL VTMTTAPRGL QSGDRATWFG LYYNISGAGF DATA SEQUENCE FLHHVGLELL VNHKALDPAR WTIQKVFYQG RYYDSLAQLE AQFEAGLVNV DATA SEQUENCE VLIPDNGTGG SWSLKSPVPP GPAPPLQFYP QGPRFSVQGS RVASSLWTFS DATA SEQUENCE FGLGAFSGPR IFDVRFQGER LVYEISLQEA LAIYGGNSPA AMTTRYVDGG DATA SEQUENCE FGMGKYTTPL TRGVDcPYLA TYVDWHFLLE SQAPKTIRDA FcVFEQNQGL DATA SEQUENCE PLRRHHSDLY SHYFGGLAET VLVVRSMSTL LNXDYVWDTV FHPSGAIEIR DATA SEQUENCE FYATGYISSA FLFGATGKYG NQVSEHTLGT VHTHSAHFKV DLDVAGLENW DATA SEQUENCE VWAEDMVFVP MAVPWSPEHQ LQRLQVTRKL LEMEEQAAFL VGSATPRYLY DATA SEQUENCE LASNHSNKWG HPRGYRIQML SFAGEPLPQN SSMARGFSWE RYQLAVTQRK DATA SEQUENCE EEEPSSSSVF NQNDPWAPTV DFSDFINNET IAGKDLVAWV TAGFLHIPHA DATA SEQUENCE EDIPNTVTVG NGVGFFLRPY NFFDEDPSFY SADSIYFRGD QDAGAcEVNP DATA SEQUENCE LAcLPQAAAc APDLPAFSHG GFSH 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 39 P HA 0.000 nan 4.420 nan 0.000 0.216 39 P C 0.000 177.363 177.300 0.105 0.000 1.155 39 P CA 0.000 63.150 63.100 0.083 0.000 0.800 39 P CB 0.000 31.740 31.700 0.066 0.000 0.726 40 H N -0.997 118.076 119.070 0.005 0.000 2.660 40 H HA 0.313 4.869 4.556 -0.000 0.000 0.374 40 H C -0.278 175.068 175.328 0.031 0.000 1.291 40 H CA 0.187 56.240 56.048 0.008 0.000 1.437 40 H CB 0.874 30.645 29.762 0.014 0.000 1.509 40 H HN 0.369 nan 8.280 nan 0.000 0.614 41 c N 4.503 123.165 118.600 0.102 0.000 2.285 41 c HA 0.232 4.802 4.570 -0.000 0.000 0.335 41 c C -1.329 172.848 174.090 0.146 0.000 1.267 41 c CA -1.397 55.005 56.329 0.121 0.000 1.762 41 c CB -0.020 42.575 42.510 0.143 0.000 2.365 41 c HN 0.619 nan 8.230 nan 0.000 0.527 59 L N 1.030 122.098 121.223 -0.258 0.000 2.131 59 L HA 0.007 4.347 4.340 -0.000 0.000 0.210 59 L C 1.050 177.486 176.870 -0.723 0.000 1.092 59 L CA 2.104 56.598 54.840 -0.577 0.000 0.759 59 L CB -0.127 41.412 42.059 -0.866 0.000 0.903 59 L HN 0.647 nan 8.230 nan 0.000 0.435 60 F N -1.217 118.608 119.950 -0.209 0.000 2.682 60 F HA 0.438 4.965 4.527 -0.000 0.000 0.308 60 F C 1.239 176.930 175.800 -0.182 0.000 1.093 60 F CA -0.219 57.580 58.000 -0.335 0.000 1.244 60 F CB -0.578 38.094 39.000 -0.547 0.000 1.052 60 F HN -0.104 nan 8.300 nan 0.000 0.573 61 A N 0.694 123.505 122.820 -0.014 0.000 2.540 61 A HA 0.090 4.410 4.320 -0.000 0.000 0.239 61 A C 0.253 177.845 177.584 0.015 0.000 1.061 61 A CA -0.334 51.687 52.037 -0.027 0.000 0.758 61 A CB -0.073 18.890 19.000 -0.061 0.000 0.991 61 A HN 0.135 nan 8.150 nan 0.000 0.502 62 D N 0.678 121.126 120.400 0.079 0.000 2.364 62 D HA 0.153 4.792 4.640 -0.000 0.000 0.236 62 D C 0.472 176.803 176.300 0.052 0.000 1.221 62 D CA 0.362 54.446 54.000 0.141 0.000 0.891 62 D CB 0.287 41.280 40.800 0.321 0.000 1.190 62 D HN 0.446 nan 8.370 nan 0.000 0.449 63 L N 1.167 122.404 121.223 0.024 0.000 2.453 63 L HA 0.046 4.385 4.340 -0.000 0.000 0.272 63 L C 1.238 178.066 176.870 -0.070 0.000 1.182 63 L CA -0.264 54.552 54.840 -0.040 0.000 0.858 63 L CB 0.291 42.319 42.059 -0.052 0.000 1.120 63 L HN 0.378 nan 8.230 nan 0.000 0.474 64 S N 3.139 118.770 115.700 -0.114 0.000 2.608 64 S HA 0.230 4.700 4.470 -0.000 0.000 0.261 64 S C 1.121 175.567 174.600 -0.257 0.000 1.314 64 S CA -0.678 57.398 58.200 -0.207 0.000 0.992 64 S CB 1.046 64.131 63.200 -0.192 0.000 0.935 64 S HN 0.589 nan 8.310 nan 0.000 0.564 65 R N 0.799 121.060 120.500 -0.397 0.000 2.080 65 R HA -0.141 4.199 4.340 -0.000 0.000 0.236 65 R C 2.218 178.399 176.300 -0.198 0.000 1.137 65 R CA 1.995 57.915 56.100 -0.301 0.000 0.943 65 R CB -0.713 29.393 30.300 -0.324 0.000 0.846 65 R HN 0.703 nan 8.270 nan 0.000 0.431 66 E N 0.810 120.900 120.200 -0.184 0.000 2.070 66 E HA -0.210 4.140 4.350 -0.000 0.000 0.197 66 E C 1.884 178.405 176.600 -0.133 0.000 1.004 66 E CA 1.529 57.846 56.400 -0.138 0.000 0.805 66 E CB -0.138 29.484 29.700 -0.130 0.000 0.744 66 E HN 0.409 nan 8.360 nan 0.000 0.451 67 E N -0.020 120.093 120.200 -0.145 0.000 2.077 67 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 67 E C 2.115 178.647 176.600 -0.112 0.000 0.989 67 E CA 0.776 57.094 56.400 -0.136 0.000 0.800 67 E CB -0.126 29.494 29.700 -0.133 0.000 0.746 67 E HN 0.199 nan 8.360 nan 0.000 0.452 68 L N 0.511 121.665 121.223 -0.115 0.000 2.046 68 L HA -0.177 4.162 4.340 -0.000 0.000 0.208 68 L C 2.555 179.378 176.870 -0.078 0.000 1.077 68 L CA 1.171 55.952 54.840 -0.098 0.000 0.747 68 L CB -0.532 41.451 42.059 -0.127 0.000 0.896 68 L HN 0.172 nan 8.230 nan 0.000 0.432 69 T N -0.088 114.414 114.554 -0.086 0.000 2.720 69 T HA -0.219 4.131 4.350 -0.000 0.000 0.268 69 T C 1.976 176.657 174.700 -0.031 0.000 1.037 69 T CA 1.478 63.541 62.100 -0.060 0.000 1.144 69 T CB -0.247 68.581 68.868 -0.066 0.000 0.864 69 T HN 0.467 nan 8.240 nan 0.000 0.444 70 A N 0.781 123.576 122.820 -0.041 0.000 1.930 70 A HA 0.003 4.323 4.320 -0.000 0.000 0.217 70 A C 2.576 180.172 177.584 0.019 0.000 1.175 70 A CA 1.134 53.162 52.037 -0.016 0.000 0.627 70 A CB -0.848 18.113 19.000 -0.065 0.000 0.815 70 A HN 0.362 nan 8.150 nan 0.000 0.443 71 V N -0.574 119.335 119.914 -0.009 0.000 2.358 71 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 71 V C 2.548 178.694 176.094 0.086 0.000 1.047 71 V CA 2.232 64.551 62.300 0.030 0.000 1.035 71 V CB -0.659 31.160 31.823 -0.006 0.000 0.658 71 V HN 0.635 nan 8.190 nan 0.000 0.452 72 M N 0.283 119.908 119.600 0.041 0.000 2.229 72 M HA -0.107 4.373 4.480 -0.000 0.000 0.264 72 M C 2.155 178.486 176.300 0.053 0.000 1.063 72 M CA 1.719 57.041 55.300 0.037 0.000 1.114 72 M CB -0.789 31.813 32.600 0.002 0.000 1.387 72 M HN 0.239 nan 8.290 nan 0.000 0.420 73 R N -1.312 119.226 120.500 0.064 0.000 2.090 73 R HA -0.141 4.199 4.340 -0.000 0.000 0.228 73 R C 2.108 178.468 176.300 0.100 0.000 1.110 73 R CA 1.421 57.560 56.100 0.066 0.000 0.973 73 R CB -0.612 29.725 30.300 0.062 0.000 0.869 73 R HN 0.401 nan 8.270 nan 0.000 0.440 74 F N 1.241 121.188 119.950 -0.004 0.000 2.171 74 F HA -0.102 4.425 4.527 -0.000 0.000 0.300 74 F C 1.725 177.535 175.800 0.017 0.000 1.090 74 F CA 1.342 59.343 58.000 0.002 0.000 1.293 74 F CB -0.069 38.922 39.000 -0.015 0.000 1.013 74 F HN -0.013 nan 8.300 nan 0.000 0.486 75 L N -0.366 120.913 121.223 0.093 0.000 2.027 75 L HA -0.200 4.140 4.340 -0.000 0.000 0.206 75 L C 2.565 179.417 176.870 -0.030 0.000 1.074 75 L CA 1.779 56.634 54.840 0.026 0.000 0.745 75 L CB -1.174 40.936 42.059 0.084 0.000 0.898 75 L HN 0.247 nan 8.230 nan 0.000 0.433 76 T N -3.506 111.041 114.554 -0.012 0.000 2.977 76 T HA -0.213 4.137 4.350 -0.000 0.000 0.271 76 T C 1.669 176.344 174.700 -0.041 0.000 1.105 76 T CA 1.081 63.174 62.100 -0.013 0.000 1.116 76 T CB -0.158 68.711 68.868 0.001 0.000 0.878 76 T HN 0.393 nan 8.240 nan 0.000 0.509 77 Q N 0.065 119.806 119.800 -0.099 0.000 2.123 77 Q HA 0.156 4.496 4.340 -0.000 0.000 0.196 77 Q C 2.614 178.522 176.000 -0.153 0.000 0.958 77 Q CA 0.584 56.308 55.803 -0.132 0.000 0.841 77 Q CB 0.151 28.772 28.738 -0.194 0.000 0.915 77 Q HN 0.381 nan 8.270 nan 0.000 0.455 78 R N 0.057 120.422 120.500 -0.225 0.000 2.254 78 R HA 0.127 4.467 4.340 -0.000 0.000 0.195 78 R C 1.583 177.857 176.300 -0.043 0.000 0.957 78 R CA 0.426 56.412 56.100 -0.189 0.000 1.024 78 R CB 0.268 30.366 30.300 -0.336 0.000 0.952 78 R HN 0.256 nan 8.270 nan 0.000 0.484 79 L N 0.428 121.655 121.223 0.006 0.000 2.611 79 L HA 0.204 4.544 4.340 -0.000 0.000 0.229 79 L C 0.575 177.506 176.870 0.102 0.000 1.137 79 L CA 0.035 54.940 54.840 0.108 0.000 0.901 79 L CB -0.138 42.005 42.059 0.139 0.000 1.098 79 L HN 0.236 nan 8.230 nan 0.000 0.456 80 G N 0.917 109.744 108.800 0.045 0.000 2.730 80 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.686 80 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.686 80 G C -2.165 172.757 174.900 0.038 0.000 1.343 80 G CA -0.418 44.707 45.100 0.041 0.000 0.826 80 G HN 0.055 nan 8.290 nan 0.000 0.582 81 P HA 0.103 nan 4.420 nan 0.000 0.241 81 P C 1.609 178.932 177.300 0.038 0.000 1.191 81 P CA 1.417 64.533 63.100 0.027 0.000 0.771 81 P CB 0.053 31.765 31.700 0.020 0.000 0.929 82 G N 0.327 109.158 108.800 0.051 0.000 2.744 82 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.211 82 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.211 82 G C 0.501 175.442 174.900 0.068 0.000 1.143 82 G CA -0.187 44.948 45.100 0.059 0.000 0.788 82 G HN 0.265 nan 8.290 nan 0.000 0.534 83 L N 1.363 122.625 121.223 0.065 0.000 2.453 83 L HA 0.427 4.767 4.340 -0.000 0.000 0.272 83 L C -0.256 176.646 176.870 0.053 0.000 1.182 83 L CA 0.164 55.040 54.840 0.060 0.000 0.858 83 L CB 1.235 43.322 42.059 0.047 0.000 1.120 83 L HN -0.114 nan 8.230 nan 0.000 0.474 84 V N 3.903 123.853 119.914 0.060 0.000 2.769 84 V HA 0.268 4.388 4.120 -0.000 0.000 0.312 84 V C -0.654 175.478 176.094 0.063 0.000 1.061 84 V CA -0.891 61.448 62.300 0.064 0.000 0.931 84 V CB 1.903 33.774 31.823 0.081 0.000 1.010 84 V HN 0.820 nan 8.190 nan 0.000 0.433 85 D N 3.045 123.483 120.400 0.062 0.000 2.434 85 D HA 0.175 4.815 4.640 -0.000 0.000 0.252 85 D C 1.067 177.422 176.300 0.091 0.000 1.185 85 D CA 0.627 54.666 54.000 0.065 0.000 0.886 85 D CB 1.712 42.549 40.800 0.061 0.000 1.148 85 D HN 0.651 nan 8.370 nan 0.000 0.483 86 A N 4.308 127.180 122.820 0.087 0.000 2.024 86 A HA -0.072 4.248 4.320 -0.000 0.000 0.220 86 A C 2.136 179.823 177.584 0.172 0.000 1.164 86 A CA 1.728 53.837 52.037 0.119 0.000 0.643 86 A CB -0.665 18.381 19.000 0.077 0.000 0.806 86 A HN 0.709 nan 8.150 nan 0.000 0.451 87 A N -1.352 121.568 122.820 0.165 0.000 2.131 87 A HA -0.097 4.223 4.320 -0.000 0.000 0.220 87 A C 1.605 179.311 177.584 0.204 0.000 1.158 87 A CA 1.666 53.830 52.037 0.211 0.000 0.665 87 A CB -0.218 18.885 19.000 0.172 0.000 0.795 87 A HN 0.620 nan 8.150 nan 0.000 0.460 88 Q N -1.311 118.588 119.800 0.166 0.000 2.063 88 Q HA 0.477 4.817 4.340 -0.000 0.000 0.245 88 Q C -0.146 175.943 176.000 0.148 0.000 0.828 88 Q CA 0.215 56.109 55.803 0.152 0.000 1.089 88 Q CB 1.026 29.833 28.738 0.115 0.000 1.232 88 Q HN 0.459 nan 8.270 nan 0.000 0.445 89 A N 0.825 123.748 122.820 0.172 0.000 2.401 89 A HA 0.563 4.883 4.320 -0.000 0.000 0.259 89 A C -0.050 177.647 177.584 0.190 0.000 1.103 89 A CA -0.245 51.897 52.037 0.174 0.000 0.789 89 A CB 0.488 19.606 19.000 0.197 0.000 1.035 89 A HN 0.120 nan 8.150 nan 0.000 0.491 90 R N 1.931 122.529 120.500 0.163 0.000 2.543 90 R HA 0.425 4.765 4.340 -0.000 0.000 0.268 90 R C -1.830 174.594 176.300 0.207 0.000 1.067 90 R CA -2.220 53.974 56.100 0.158 0.000 1.142 90 R CB -0.047 30.311 30.300 0.096 0.000 1.110 90 R HN 0.411 nan 8.270 nan 0.000 0.549 91 P HA -0.174 nan 4.420 nan 0.000 0.217 91 P C 0.315 177.788 177.300 0.289 0.000 1.151 91 P CA 1.651 64.931 63.100 0.299 0.000 0.849 91 P CB 0.185 32.078 31.700 0.322 0.000 0.787 92 S N -2.634 113.172 115.700 0.176 0.000 2.660 92 S HA 0.080 4.550 4.470 -0.000 0.000 0.227 92 S C 0.401 175.069 174.600 0.113 0.000 0.948 92 S CA -0.406 57.860 58.200 0.110 0.000 0.948 92 S CB -0.707 62.531 63.200 0.062 0.000 0.779 92 S HN -0.054 nan 8.310 nan 0.000 0.487 93 D N 2.356 122.853 120.400 0.162 0.000 2.294 93 D HA 0.364 5.004 4.640 -0.000 0.000 0.250 93 D C -0.518 175.896 176.300 0.189 0.000 1.058 93 D CA -0.377 53.715 54.000 0.154 0.000 0.950 93 D CB 0.716 41.605 40.800 0.149 0.000 1.158 93 D HN 0.164 nan 8.370 nan 0.000 0.453 94 N N 0.039 118.834 118.700 0.158 0.000 2.472 94 N HA 0.391 5.131 4.740 -0.000 0.000 0.277 94 N C -0.302 175.258 175.510 0.085 0.000 1.081 94 N CA -0.316 52.815 53.050 0.135 0.000 0.973 94 N CB 0.826 39.406 38.487 0.156 0.000 1.105 94 N HN 0.470 nan 8.380 nan 0.000 0.470 95 C N -1.039 118.287 119.300 0.042 0.000 3.311 95 C HA 0.599 5.059 4.460 -0.000 0.000 0.325 95 C C -0.836 174.104 174.990 -0.082 0.000 1.352 95 C CA -0.931 58.093 59.018 0.011 0.000 1.308 95 C CB 0.526 28.312 27.740 0.077 0.000 1.619 95 C HN 0.344 nan 8.230 nan 0.000 0.469 96 V N 2.636 122.509 119.914 -0.068 0.000 2.348 96 V HA 0.295 4.415 4.120 -0.000 0.000 0.270 96 V C 0.575 176.612 176.094 -0.095 0.000 1.037 96 V CA 0.083 62.334 62.300 -0.082 0.000 0.872 96 V CB 0.654 32.456 31.823 -0.035 0.000 1.002 96 V HN 0.891 nan 8.190 nan 0.000 0.464 97 F N 4.093 123.810 119.950 -0.387 0.000 2.234 97 F HA 0.098 4.624 4.527 -0.000 0.000 0.296 97 F C 1.145 176.874 175.800 -0.118 0.000 1.089 97 F CA 0.827 58.553 58.000 -0.457 0.000 1.343 97 F CB 0.431 38.854 39.000 -0.961 0.000 1.040 97 F HN 0.578 nan 8.300 nan 0.000 0.498 98 S N -0.652 114.976 115.700 -0.119 0.000 2.543 98 S HA 0.643 5.113 4.470 -0.000 0.000 0.274 98 S C -1.492 173.131 174.600 0.037 0.000 1.149 98 S CA -0.894 57.248 58.200 -0.098 0.000 0.866 98 S CB 1.534 64.734 63.200 0.000 0.000 1.111 98 S HN -0.051 nan 8.310 nan 0.000 0.457 99 V N 2.454 122.375 119.914 0.013 0.000 2.531 99 V HA 0.805 4.925 4.120 -0.000 0.000 0.301 99 V C -0.286 175.829 176.094 0.034 0.000 1.034 99 V CA -0.360 61.964 62.300 0.040 0.000 0.865 99 V CB 1.174 33.004 31.823 0.011 0.000 0.995 99 V HN 1.132 nan 8.190 nan 0.000 0.424 100 E N 4.056 124.302 120.200 0.077 0.000 2.456 100 E HA 0.614 4.964 4.350 -0.000 0.000 0.278 100 E C -1.244 175.411 176.600 0.093 0.000 1.034 100 E CA -1.216 55.232 56.400 0.080 0.000 0.846 100 E CB 1.840 31.612 29.700 0.120 0.000 1.460 100 E HN 0.374 nan 8.360 nan 0.000 0.463 101 L N 1.499 122.782 121.223 0.101 0.000 2.499 101 L HA 0.122 4.462 4.340 -0.000 0.000 0.273 101 L C -0.287 176.649 176.870 0.109 0.000 1.195 101 L CA 0.471 55.361 54.840 0.083 0.000 0.882 101 L CB 0.620 42.730 42.059 0.083 0.000 1.133 101 L HN 0.607 nan 8.230 nan 0.000 0.483 102 Q N 4.558 124.408 119.800 0.083 0.000 2.349 102 Q HA 0.385 4.725 4.340 -0.000 0.000 0.254 102 Q C -1.084 174.962 176.000 0.076 0.000 0.980 102 Q CA -0.036 55.827 55.803 0.101 0.000 0.924 102 Q CB 0.553 29.349 28.738 0.097 0.000 1.209 102 Q HN 0.720 nan 8.270 nan 0.000 0.445 103 L N 6.903 128.192 121.223 0.110 0.000 2.525 103 L HA 0.217 4.557 4.340 -0.000 0.000 0.278 103 L C -1.645 175.269 176.870 0.075 0.000 1.218 103 L CA -1.403 53.493 54.840 0.094 0.000 0.878 103 L CB 0.100 42.272 42.059 0.188 0.000 1.127 103 L HN 0.639 nan 8.230 nan 0.000 0.492 104 P HA 0.164 nan 4.420 nan 0.000 0.272 104 P C -2.546 174.808 177.300 0.090 0.000 1.223 104 P CA -1.410 61.694 63.100 0.007 0.000 0.784 104 P CB -0.272 31.362 31.700 -0.110 0.000 0.923 105 P HA 0.023 nan 4.420 nan 0.000 0.265 105 P C 0.941 178.282 177.300 0.069 0.000 1.193 105 P CA 0.109 63.245 63.100 0.060 0.000 0.765 105 P CB 0.814 32.531 31.700 0.028 0.000 0.823 106 K N 2.918 123.334 120.400 0.027 0.000 2.032 106 K HA -0.186 4.133 4.320 -0.000 0.000 0.209 106 K C 1.946 178.526 176.600 -0.034 0.000 1.048 106 K CA 1.788 58.028 56.287 -0.078 0.000 0.927 106 K CB -0.539 31.767 32.500 -0.323 0.000 0.712 106 K HN 0.474 nan 8.250 nan 0.000 0.441 107 A N 0.826 123.630 122.820 -0.026 0.000 1.902 107 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 107 A C 2.299 179.900 177.584 0.028 0.000 1.181 107 A CA 1.956 53.989 52.037 -0.007 0.000 0.623 107 A CB -0.818 18.176 19.000 -0.010 0.000 0.818 107 A HN 0.484 nan 8.150 nan 0.000 0.443 108 A N -0.402 122.436 122.820 0.030 0.000 1.968 108 A HA 0.279 4.598 4.320 -0.000 0.000 0.217 108 A C 2.455 180.078 177.584 0.066 0.000 1.169 108 A CA 1.718 53.778 52.037 0.038 0.000 0.638 108 A CB -0.878 18.130 19.000 0.014 0.000 0.812 108 A HN 0.972 nan 8.150 nan 0.000 0.446 109 A N 0.152 123.023 122.820 0.084 0.000 1.865 109 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 109 A C 2.156 179.875 177.584 0.225 0.000 1.191 109 A CA 1.585 53.704 52.037 0.136 0.000 0.623 109 A CB -0.693 18.463 19.000 0.260 0.000 0.826 109 A HN 0.465 nan 8.150 nan 0.000 0.444 110 L N -0.822 120.534 121.223 0.223 0.000 2.046 110 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 110 L C 3.113 180.064 176.870 0.134 0.000 1.077 110 L CA 1.021 55.980 54.840 0.200 0.000 0.747 110 L CB -0.610 41.533 42.059 0.140 0.000 0.896 110 L HN 0.458 nan 8.230 nan 0.000 0.432 111 A N -0.346 122.537 122.820 0.106 0.000 1.908 111 A HA -0.318 4.002 4.320 -0.000 0.000 0.218 111 A C 2.119 179.757 177.584 0.090 0.000 1.181 111 A CA 2.163 54.248 52.037 0.081 0.000 0.627 111 A CB -0.864 18.175 19.000 0.064 0.000 0.818 111 A HN 0.566 nan 8.150 nan 0.000 0.445 112 H N -0.328 118.758 119.070 0.028 0.000 2.357 112 H HA 0.049 4.605 4.556 -0.000 0.000 0.301 112 H C 1.703 177.049 175.328 0.030 0.000 1.082 112 H CA 1.820 57.877 56.048 0.014 0.000 1.342 112 H CB -0.230 29.524 29.762 -0.014 0.000 1.389 112 H HN 0.362 nan 8.280 nan 0.000 0.511 113 L N -0.165 121.068 121.223 0.015 0.000 2.093 113 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 113 L C 1.687 178.544 176.870 -0.022 0.000 1.085 113 L CA 1.322 56.161 54.840 -0.002 0.000 0.755 113 L CB -0.166 41.991 42.059 0.163 0.000 0.904 113 L HN 0.348 nan 8.230 nan 0.000 0.435 114 D N -0.344 120.063 120.400 0.012 0.000 2.202 114 D HA -0.054 4.586 4.640 -0.000 0.000 0.214 114 D C 1.830 178.121 176.300 -0.014 0.000 0.967 114 D CA 0.933 54.942 54.000 0.015 0.000 0.871 114 D CB 0.077 40.903 40.800 0.043 0.000 1.020 114 D HN 0.293 nan 8.370 nan 0.000 0.474 115 R N -0.417 120.072 120.500 -0.018 0.000 2.577 115 R HA 0.368 4.708 4.340 -0.000 0.000 0.344 115 R C 0.794 177.071 176.300 -0.038 0.000 1.037 115 R CA 0.434 56.522 56.100 -0.021 0.000 1.102 115 R CB 0.218 30.518 30.300 -0.000 0.000 1.313 115 R HN 0.060 nan 8.270 nan 0.000 0.561 116 G N 1.313 110.057 108.800 -0.092 0.000 2.160 116 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.251 116 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.251 116 G C -0.091 174.809 174.900 0.000 0.000 1.008 116 G CA 0.471 45.502 45.100 -0.114 0.000 0.724 116 G HN 0.399 nan 8.290 nan 0.000 0.514 117 S N 1.776 117.500 115.700 0.041 0.000 2.563 117 S HA 0.380 4.850 4.470 -0.000 0.000 0.284 117 S C -1.301 173.404 174.600 0.175 0.000 1.331 117 S CA -0.121 58.131 58.200 0.086 0.000 1.047 117 S CB 0.884 64.129 63.200 0.075 0.000 0.859 117 S HN 0.430 nan 8.310 nan 0.000 0.514 118 P HA 0.157 nan 4.420 nan 0.000 0.266 118 P C -2.478 174.834 177.300 0.020 0.000 1.195 118 P CA -1.234 61.917 63.100 0.084 0.000 0.768 118 P CB -0.646 31.072 31.700 0.030 0.000 0.838 119 P HA 0.142 nan 4.420 nan 0.000 0.269 119 P C -2.207 174.990 177.300 -0.172 0.000 1.215 119 P CA -1.164 61.718 63.100 -0.363 0.000 0.780 119 P CB -1.000 30.339 31.700 -0.602 0.000 0.898 120 P HA 0.091 nan 4.420 nan 0.000 0.271 120 P C -0.290 176.950 177.300 -0.100 0.000 1.218 120 P CA -0.133 62.913 63.100 -0.089 0.000 0.780 120 P CB 0.270 31.927 31.700 -0.072 0.000 0.901 121 A N 4.161 126.953 122.820 -0.046 0.000 2.580 121 A HA -0.033 4.287 4.320 -0.000 0.000 0.244 121 A C 0.761 178.313 177.584 -0.053 0.000 1.045 121 A CA 0.093 52.114 52.037 -0.028 0.000 0.761 121 A CB -0.389 18.648 19.000 0.061 0.000 0.962 121 A HN 0.376 nan 8.150 nan 0.000 0.512 122 R N 2.389 122.835 120.500 -0.091 0.000 2.404 122 R HA 0.127 4.467 4.340 -0.000 0.000 0.315 122 R C -0.147 176.103 176.300 -0.083 0.000 1.032 122 R CA 0.589 56.626 56.100 -0.105 0.000 0.992 122 R CB -0.037 30.186 30.300 -0.130 0.000 0.959 122 R HN 0.829 nan 8.270 nan 0.000 0.428 123 E N 0.872 121.042 120.200 -0.049 0.000 2.312 123 E HA 0.595 4.945 4.350 -0.000 0.000 0.267 123 E C -0.976 175.617 176.600 -0.010 0.000 0.894 123 E CA -0.923 55.462 56.400 -0.026 0.000 0.773 123 E CB 2.205 31.936 29.700 0.052 0.000 1.241 123 E HN 0.582 nan 8.360 nan 0.000 0.432 124 A N 1.708 124.523 122.820 -0.008 0.000 2.330 124 A HA 0.688 5.008 4.320 -0.000 0.000 0.329 124 A C -1.294 176.338 177.584 0.080 0.000 1.135 124 A CA -0.603 51.451 52.037 0.029 0.000 0.817 124 A CB 0.864 19.867 19.000 0.006 0.000 1.269 124 A HN 0.478 nan 8.150 nan 0.000 0.469 125 L N 1.138 122.429 121.223 0.113 0.000 2.313 125 L HA 0.748 5.087 4.340 -0.000 0.000 0.283 125 L C 0.052 177.019 176.870 0.163 0.000 1.013 125 L CA 0.014 54.947 54.840 0.155 0.000 0.816 125 L CB 1.497 43.669 42.059 0.189 0.000 1.236 125 L HN 0.836 nan 8.230 nan 0.000 0.419 126 A N 6.152 129.073 122.820 0.168 0.000 2.318 126 A HA 0.725 5.045 4.320 -0.000 0.000 0.324 126 A C -0.744 176.964 177.584 0.206 0.000 1.170 126 A CA -0.490 51.644 52.037 0.162 0.000 0.810 126 A CB 0.566 19.644 19.000 0.129 0.000 1.198 126 A HN 0.683 nan 8.150 nan 0.000 0.484 127 I N 2.890 123.598 120.570 0.231 0.000 2.312 127 I HA 0.332 4.502 4.170 -0.000 0.000 0.290 127 I C -0.648 175.569 176.117 0.168 0.000 1.008 127 I CA -0.478 60.999 61.300 0.295 0.000 1.226 127 I CB 1.620 39.885 38.000 0.441 0.000 1.371 127 I HN 0.300 nan 8.210 nan 0.000 0.468 128 V N 7.105 127.097 119.914 0.131 0.000 2.417 128 V HA 0.355 4.475 4.120 -0.000 0.000 0.291 128 V C -0.142 176.002 176.094 0.084 0.000 1.024 128 V CA -0.550 61.696 62.300 -0.090 0.000 0.861 128 V CB 1.518 33.107 31.823 -0.390 0.000 0.985 128 V HN 0.435 nan 8.190 nan 0.000 0.436 129 F N 4.504 124.405 119.950 -0.081 0.000 2.404 129 F HA 0.385 4.912 4.527 -0.000 0.000 0.359 129 F C 0.185 176.004 175.800 0.032 0.000 1.134 129 F CA -0.417 57.625 58.000 0.069 0.000 1.160 129 F CB 0.467 39.534 39.000 0.112 0.000 1.186 129 F HN 0.434 nan 8.300 nan 0.000 0.526 130 F N 2.263 122.461 119.950 0.413 0.000 2.499 130 F HA 0.207 4.734 4.527 -0.000 0.000 0.353 130 F C 1.276 177.076 175.800 -0.000 0.000 1.196 130 F CA -0.305 57.806 58.000 0.184 0.000 1.244 130 F CB 0.659 39.724 39.000 0.108 0.000 1.577 130 F HN 0.581 nan 8.300 nan 0.000 0.614 131 G N 1.095 110.001 108.800 0.177 0.000 2.595 131 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.213 131 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.213 131 G C 1.145 176.026 174.900 -0.031 0.000 1.141 131 G CA -0.233 44.822 45.100 -0.074 0.000 0.806 131 G HN 0.296 nan 8.290 nan 0.000 0.530 132 R N 1.569 122.115 120.500 0.075 0.000 4.792 132 R HA 0.262 4.602 4.340 -0.000 0.000 0.205 132 R C 0.133 176.453 176.300 0.034 0.000 1.875 132 R CA -0.121 56.014 56.100 0.058 0.000 1.588 132 R CB -0.837 29.517 30.300 0.090 0.000 1.401 132 R HN 0.558 nan 8.270 nan 0.000 0.834 133 Q N -0.881 118.910 119.800 -0.015 0.000 2.522 133 Q HA 0.370 4.710 4.340 -0.000 0.000 0.285 133 Q C -2.275 173.693 176.000 -0.054 0.000 0.982 133 Q CA -1.851 53.933 55.803 -0.031 0.000 0.805 133 Q CB 1.344 30.058 28.738 -0.039 0.000 1.457 133 Q HN -0.042 nan 8.270 nan 0.000 0.394 134 P HA -0.218 nan 4.420 nan 0.000 0.216 134 P C -0.298 176.968 177.300 -0.056 0.000 1.157 134 P CA 1.529 64.604 63.100 -0.043 0.000 0.880 134 P CB 0.232 31.911 31.700 -0.034 0.000 0.791 135 Q N -0.439 119.321 119.800 -0.066 0.000 2.523 135 Q HA 0.337 4.677 4.340 -0.000 0.000 0.251 135 Q C -2.568 173.367 176.000 -0.107 0.000 1.033 135 Q CA -1.979 53.781 55.803 -0.073 0.000 0.746 135 Q CB 1.466 30.176 28.738 -0.048 0.000 1.189 135 Q HN 0.120 nan 8.270 nan 0.000 0.508 136 P HA -0.010 nan 4.420 nan 0.000 0.266 136 P C -0.996 176.195 177.300 -0.183 0.000 1.195 136 P CA 0.007 62.883 63.100 -0.372 0.000 0.768 136 P CB 0.624 31.762 31.700 -0.936 0.000 0.838 137 N N 0.694 119.405 118.700 0.017 0.000 2.647 137 N HA 0.491 5.231 4.740 -0.000 0.000 0.266 137 N C -1.749 173.988 175.510 0.379 0.000 1.373 137 N CA -1.117 52.048 53.050 0.192 0.000 0.807 137 N CB 1.138 39.684 38.487 0.099 0.000 1.513 137 N HN 0.157 nan 8.380 nan 0.000 0.505 138 V N -0.194 119.849 119.914 0.214 0.000 2.435 138 V HA 0.773 4.893 4.120 -0.000 0.000 0.290 138 V C -0.858 175.357 176.094 0.202 0.000 1.030 138 V CA -0.108 62.323 62.300 0.218 0.000 0.881 138 V CB 0.971 32.812 31.823 0.030 0.000 0.983 138 V HN 0.795 nan 8.190 nan 0.000 0.445 139 S N 4.766 120.671 115.700 0.342 0.000 2.503 139 S HA 0.566 5.036 4.470 -0.000 0.000 0.301 139 S C -0.754 174.031 174.600 0.309 0.000 1.087 139 S CA -0.642 57.756 58.200 0.331 0.000 1.042 139 S CB 1.565 65.054 63.200 0.481 0.000 1.043 139 S HN 0.899 nan 8.310 nan 0.000 0.489 140 E N 1.914 122.286 120.200 0.287 0.000 2.134 140 E HA 0.435 4.785 4.350 -0.000 0.000 0.278 140 E C -1.174 175.572 176.600 0.245 0.000 0.959 140 E CA -0.303 56.270 56.400 0.287 0.000 0.783 140 E CB 1.005 30.893 29.700 0.314 0.000 1.095 140 E HN 0.386 nan 8.360 nan 0.000 0.399 141 L N 3.405 124.767 121.223 0.232 0.000 2.343 141 L HA 0.387 4.727 4.340 -0.000 0.000 0.278 141 L C -0.633 176.353 176.870 0.194 0.000 0.996 141 L CA -1.076 53.895 54.840 0.217 0.000 0.831 141 L CB 1.663 43.861 42.059 0.232 0.000 1.232 141 L HN 0.265 nan 8.230 nan 0.000 0.413 142 V N 4.614 124.642 119.914 0.190 0.000 2.427 142 V HA 0.208 4.328 4.120 -0.000 0.000 0.268 142 V C 0.264 176.471 176.094 0.188 0.000 1.046 142 V CA -0.268 62.140 62.300 0.180 0.000 0.970 142 V CB 1.526 33.458 31.823 0.182 0.000 1.001 142 V HN 0.418 nan 8.190 nan 0.000 0.476 143 V N 4.707 124.677 119.914 0.094 0.000 2.483 143 V HA 0.993 5.113 4.120 -0.000 0.000 0.295 143 V C 0.563 176.494 176.094 -0.272 0.000 1.035 143 V CA 0.141 62.412 62.300 -0.049 0.000 0.896 143 V CB 1.439 33.256 31.823 -0.010 0.000 0.986 143 V HN 1.053 nan 8.190 nan 0.000 0.447 144 G N 4.806 113.134 108.800 -0.787 0.000 2.506 144 G HA2 0.653 4.612 3.960 -0.000 0.000 0.292 144 G HA3 0.653 4.612 3.960 -0.000 0.000 0.292 144 G C -3.490 170.523 174.900 -1.478 0.000 1.425 144 G CA -0.802 43.712 45.100 -0.977 0.000 0.788 144 G HN 0.503 nan 8.290 nan 0.000 0.490 145 P HA 0.600 nan 4.420 nan 0.000 0.280 145 P C -0.567 176.559 177.300 -0.288 0.000 1.272 145 P CA -0.621 62.280 63.100 -0.332 0.000 0.819 145 P CB 1.672 33.311 31.700 -0.103 0.000 1.122 146 L N 1.523 122.619 121.223 -0.212 0.000 2.360 146 L HA 0.377 4.716 4.340 -0.000 0.000 0.271 146 L C -0.971 175.781 176.870 -0.196 0.000 1.057 146 L CA -1.588 53.123 54.840 -0.215 0.000 0.803 146 L CB 1.177 43.123 42.059 -0.189 0.000 1.207 146 L HN 0.335 nan 8.230 nan 0.000 0.445 147 P HA 0.003 nan 4.420 nan 0.000 0.245 147 P C -0.185 176.772 177.300 -0.573 0.000 1.206 147 P CA 0.750 63.590 63.100 -0.433 0.000 0.781 147 P CB 0.337 31.720 31.700 -0.528 0.000 0.994 148 H N 0.665 119.657 119.070 -0.130 0.000 2.632 148 H HA 0.367 4.923 4.556 -0.000 0.000 0.258 148 H C -2.391 172.803 175.328 -0.225 0.000 1.278 148 H CA -2.402 53.566 56.048 -0.133 0.000 1.352 148 H CB 0.499 30.211 29.762 -0.083 0.000 1.418 148 H HN 0.119 nan 8.280 nan 0.000 0.513 149 P HA 0.002 nan 4.420 nan 0.000 0.268 149 P C 0.680 177.497 177.300 -0.805 0.000 1.205 149 P CA 0.160 62.869 63.100 -0.652 0.000 0.771 149 P CB 1.031 32.253 31.700 -0.796 0.000 0.858 150 S N 0.273 115.454 115.700 -0.864 0.000 2.800 150 S HA 0.184 4.654 4.470 -0.000 0.000 0.266 150 S C -0.262 174.303 174.600 -0.059 0.000 1.029 150 S CA -0.392 57.603 58.200 -0.342 0.000 1.302 150 S CB -0.488 62.684 63.200 -0.048 0.000 1.212 150 S HN 0.458 nan 8.310 nan 0.000 0.683 151 Y N -0.295 119.866 120.300 -0.231 0.000 2.615 151 Y HA 0.857 5.407 4.550 -0.000 0.000 0.341 151 Y C -0.897 175.067 175.900 0.107 0.000 1.089 151 Y CA -1.695 56.437 58.100 0.053 0.000 1.049 151 Y CB 1.344 39.823 38.460 0.030 0.000 1.296 151 Y HN 0.191 nan 8.280 nan 0.000 0.470 152 M N 2.951 122.841 119.600 0.483 0.000 2.255 152 M HA 0.603 5.083 4.480 -0.000 0.000 0.275 152 M C -2.299 174.187 176.300 0.310 0.000 1.050 152 M CA -0.452 55.082 55.300 0.390 0.000 0.978 152 M CB 1.789 34.652 32.600 0.437 0.000 1.761 152 M HN 0.957 nan 8.290 nan 0.000 0.479 153 R N 2.419 123.081 120.500 0.269 0.000 2.480 153 R HA 0.364 4.704 4.340 -0.000 0.000 0.306 153 R C -1.323 175.077 176.300 0.167 0.000 0.958 153 R CA -0.572 55.640 56.100 0.187 0.000 0.861 153 R CB 1.538 31.923 30.300 0.142 0.000 1.171 153 R HN 0.554 nan 8.270 nan 0.000 0.445 154 D N 2.814 123.299 120.400 0.142 0.000 2.359 154 D HA 0.013 4.653 4.640 -0.000 0.000 0.250 154 D C 0.867 177.234 176.300 0.111 0.000 1.264 154 D CA -0.079 54.004 54.000 0.139 0.000 0.911 154 D CB 1.116 41.988 40.800 0.119 0.000 1.056 154 D HN 0.362 nan 8.370 nan 0.000 0.499 155 V N 1.291 121.278 119.914 0.122 0.000 3.649 155 V HA 0.043 4.163 4.120 -0.000 0.000 0.275 155 V C 1.687 177.828 176.094 0.078 0.000 1.281 155 V CA 0.330 62.683 62.300 0.087 0.000 1.143 155 V CB -0.325 31.550 31.823 0.087 0.000 0.892 155 V HN 0.367 nan 8.190 nan 0.000 0.441 156 T N 1.532 116.163 114.554 0.128 0.000 2.652 156 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 156 T C 1.961 176.743 174.700 0.137 0.000 1.039 156 T CA 2.164 64.374 62.100 0.184 0.000 1.153 156 T CB -0.294 68.689 68.868 0.190 0.000 0.863 156 T HN 0.421 nan 8.240 nan 0.000 0.428 157 V N 1.608 121.573 119.914 0.085 0.000 2.261 157 V HA -0.180 3.940 4.120 -0.000 0.000 0.246 157 V C 2.574 178.681 176.094 0.022 0.000 1.047 157 V CA 2.011 64.346 62.300 0.059 0.000 1.015 157 V CB -0.706 31.141 31.823 0.041 0.000 0.642 157 V HN 0.575 nan 8.190 nan 0.000 0.446 158 E N 0.343 120.546 120.200 0.004 0.000 2.130 158 E HA -0.279 4.071 4.350 -0.000 0.000 0.196 158 E C 2.354 178.909 176.600 -0.074 0.000 0.998 158 E CA 1.631 58.019 56.400 -0.020 0.000 0.806 158 E CB -0.044 29.651 29.700 -0.008 0.000 0.738 158 E HN 0.552 nan 8.360 nan 0.000 0.459 159 R N -1.376 119.021 120.500 -0.171 0.000 2.173 159 R HA 0.035 4.374 4.340 -0.000 0.000 0.208 159 R C 1.484 177.486 176.300 -0.497 0.000 1.035 159 R CA 0.950 56.811 56.100 -0.399 0.000 1.004 159 R CB 0.188 30.106 30.300 -0.636 0.000 0.917 159 R HN 0.341 nan 8.270 nan 0.000 0.462 160 H N -2.181 116.919 119.070 0.050 0.000 3.360 160 H HA 0.259 4.815 4.556 -0.000 0.000 0.262 160 H C 1.050 176.393 175.328 0.026 0.000 1.149 160 H CA 0.729 56.801 56.048 0.040 0.000 1.181 160 H CB 1.717 31.492 29.762 0.022 0.000 1.564 160 H HN 0.381 nan 8.280 nan 0.000 0.565 161 G N 0.509 109.366 108.800 0.095 0.000 2.157 161 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.239 161 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.239 161 G C 0.638 175.573 174.900 0.058 0.000 0.982 161 G CA 0.289 45.427 45.100 0.062 0.000 0.650 161 G HN 0.932 nan 8.290 nan 0.000 0.527 162 G N -1.062 107.783 108.800 0.075 0.000 2.350 162 G HA2 0.576 4.536 3.960 -0.000 0.000 0.276 162 G HA3 0.576 4.536 3.960 -0.000 0.000 0.276 162 G C -3.002 171.932 174.900 0.057 0.000 1.313 162 G CA 0.195 45.327 45.100 0.052 0.000 0.903 162 G HN 0.682 nan 8.290 nan 0.000 0.490 163 P HA 0.369 nan 4.420 nan 0.000 0.269 163 P C -0.226 177.044 177.300 -0.049 0.000 1.209 163 P CA -0.081 63.022 63.100 0.005 0.000 0.776 163 P CB 0.752 32.450 31.700 -0.003 0.000 0.876 164 L N 4.579 125.737 121.223 -0.108 0.000 2.283 164 L HA 0.258 4.598 4.340 -0.000 0.000 0.287 164 L C -1.935 174.793 176.870 -0.237 0.000 1.073 164 L CA -2.029 52.642 54.840 -0.281 0.000 0.822 164 L CB 0.235 41.987 42.059 -0.512 0.000 1.186 164 L HN 0.179 nan 8.230 nan 0.000 0.436 165 P HA -0.126 nan 4.420 nan 0.000 0.265 165 P C 0.085 177.187 177.300 -0.330 0.000 1.187 165 P CA 0.126 63.077 63.100 -0.249 0.000 0.766 165 P CB 0.393 31.885 31.700 -0.346 0.000 0.820 166 Y N 3.369 123.504 120.300 -0.274 0.000 2.274 166 Y HA -0.243 4.307 4.550 -0.000 0.000 0.290 166 Y C 2.346 178.074 175.900 -0.285 0.000 1.145 166 Y CA 1.774 59.725 58.100 -0.248 0.000 1.203 166 Y CB -0.566 37.827 38.460 -0.113 0.000 0.984 166 Y HN 0.525 nan 8.280 nan 0.000 0.533 167 H N -1.434 117.571 119.070 -0.108 0.000 2.546 167 H HA 0.054 4.610 4.556 -0.000 0.000 0.277 167 H C 1.553 176.773 175.328 -0.180 0.000 1.004 167 H CA 0.822 56.775 56.048 -0.160 0.000 1.231 167 H CB -0.265 29.451 29.762 -0.077 0.000 1.382 167 H HN 0.319 nan 8.280 nan 0.000 0.580 168 R N 1.441 121.626 120.500 -0.525 0.000 2.235 168 R HA 0.005 4.344 4.340 -0.000 0.000 0.213 168 R C 1.038 177.229 176.300 -0.181 0.000 1.059 168 R CA 0.041 55.971 56.100 -0.284 0.000 0.997 168 R CB -0.009 30.076 30.300 -0.357 0.000 0.884 168 R HN 0.398 nan 8.270 nan 0.000 0.462 169 R N 2.737 122.985 120.500 -0.419 0.000 2.570 169 R HA 0.093 4.433 4.340 -0.000 0.000 0.277 169 R C -2.559 173.489 176.300 -0.419 0.000 1.039 169 R CA -1.481 54.286 56.100 -0.556 0.000 1.065 169 R CB -0.004 29.437 30.300 -1.431 0.000 0.964 169 R HN -0.219 nan 8.270 nan 0.000 0.428 170 P HA -0.092 nan 4.420 nan 0.000 0.268 170 P C -0.594 176.576 177.300 -0.217 0.000 1.208 170 P CA -0.224 62.709 63.100 -0.278 0.000 0.777 170 P CB 0.472 32.015 31.700 -0.262 0.000 0.875 171 V N 4.382 124.201 119.914 -0.159 0.000 2.479 171 V HA -0.013 4.107 4.120 -0.000 0.000 0.281 171 V C 0.879 176.911 176.094 -0.103 0.000 1.031 171 V CA 0.183 62.361 62.300 -0.202 0.000 1.038 171 V CB -0.436 31.124 31.823 -0.439 0.000 0.981 171 V HN 0.351 nan 8.190 nan 0.000 0.478 172 L N 4.808 126.043 121.223 0.020 0.000 2.473 172 L HA 0.231 4.571 4.340 -0.000 0.000 0.268 172 L C 1.309 178.337 176.870 0.262 0.000 1.215 172 L CA 0.114 55.059 54.840 0.175 0.000 0.823 172 L CB 0.178 42.401 42.059 0.272 0.000 1.099 172 L HN 0.550 nan 8.230 nan 0.000 0.483 173 F N -0.045 120.170 119.950 0.442 0.000 2.126 173 F HA -0.289 4.238 4.527 -0.000 0.000 0.299 173 F C 2.493 178.510 175.800 0.360 0.000 1.096 173 F CA 1.010 59.295 58.000 0.476 0.000 1.255 173 F CB -0.080 39.131 39.000 0.351 0.000 0.997 173 F HN 0.610 nan 8.300 nan 0.000 0.479 174 Q N 0.928 121.004 119.800 0.460 0.000 2.226 174 Q HA -0.213 4.127 4.340 -0.000 0.000 0.204 174 Q C 1.825 178.007 176.000 0.303 0.000 0.975 174 Q CA 1.588 57.589 55.803 0.330 0.000 0.866 174 Q CB -0.296 28.601 28.738 0.266 0.000 0.915 174 Q HN 0.495 nan 8.270 nan 0.000 0.440 175 E N -1.408 118.958 120.200 0.278 0.000 2.072 175 E HA -0.173 4.177 4.350 -0.000 0.000 0.190 175 E C 1.510 178.224 176.600 0.190 0.000 0.982 175 E CA 0.864 57.406 56.400 0.236 0.000 0.803 175 E CB -0.179 29.578 29.700 0.096 0.000 0.755 175 E HN 0.575 nan 8.360 nan 0.000 0.453 176 Y N 0.555 121.020 120.300 0.275 0.000 2.207 176 Y HA -0.218 4.332 4.550 -0.000 0.000 0.287 176 Y C 2.240 178.253 175.900 0.188 0.000 1.156 176 Y CA 0.781 59.026 58.100 0.242 0.000 1.182 176 Y CB 0.022 38.699 38.460 0.363 0.000 0.979 176 Y HN 0.097 nan 8.280 nan 0.000 0.521 177 L N -0.462 120.980 121.223 0.366 0.000 2.056 177 L HA -0.221 4.119 4.340 -0.000 0.000 0.207 177 L C 1.830 178.832 176.870 0.220 0.000 1.078 177 L CA 1.119 56.111 54.840 0.255 0.000 0.749 177 L CB -0.443 41.750 42.059 0.223 0.000 0.901 177 L HN 0.231 nan 8.230 nan 0.000 0.433 178 D N 0.269 120.823 120.400 0.256 0.000 2.144 178 D HA -0.150 4.490 4.640 -0.000 0.000 0.199 178 D C 2.255 178.768 176.300 0.355 0.000 0.984 178 D CA 1.216 55.377 54.000 0.269 0.000 0.834 178 D CB -0.074 40.897 40.800 0.285 0.000 0.955 178 D HN 0.316 nan 8.370 nan 0.000 0.465 179 I N 1.238 122.003 120.570 0.325 0.000 2.163 179 I HA -0.261 3.909 4.170 -0.000 0.000 0.243 179 I C 1.941 178.066 176.117 0.013 0.000 1.085 179 I CA 1.144 62.493 61.300 0.083 0.000 1.347 179 I CB -0.170 37.647 38.000 -0.304 0.000 1.044 179 I HN -0.136 nan 8.210 nan 0.000 0.408 180 D N 0.266 120.713 120.400 0.079 0.000 2.097 180 D HA -0.227 4.413 4.640 -0.000 0.000 0.195 180 D C 2.070 178.549 176.300 0.298 0.000 0.989 180 D CA 1.143 55.277 54.000 0.223 0.000 0.827 180 D CB -0.363 40.603 40.800 0.276 0.000 0.966 180 D HN 0.210 nan 8.370 nan 0.000 0.456 181 Q N 0.283 120.207 119.800 0.207 0.000 2.096 181 Q HA -0.196 4.144 4.340 -0.000 0.000 0.208 181 Q C 2.072 178.158 176.000 0.144 0.000 0.993 181 Q CA 1.547 57.449 55.803 0.164 0.000 0.862 181 Q CB -0.416 28.391 28.738 0.116 0.000 0.915 181 Q HN 0.357 nan 8.270 nan 0.000 0.416 182 M N -1.016 118.661 119.600 0.129 0.000 2.099 182 M HA -0.137 4.343 4.480 -0.000 0.000 0.262 182 M C 1.853 178.171 176.300 0.030 0.000 1.067 182 M CA 1.586 56.944 55.300 0.097 0.000 1.124 182 M CB -0.123 32.581 32.600 0.173 0.000 1.353 182 M HN 0.343 nan 8.290 nan 0.000 0.410 183 I N -0.191 120.355 120.570 -0.041 0.000 2.179 183 I HA -0.296 3.874 4.170 -0.000 0.000 0.242 183 I C 1.914 177.865 176.117 -0.277 0.000 1.088 183 I CA 1.515 62.676 61.300 -0.230 0.000 1.357 183 I CB -0.462 37.277 38.000 -0.434 0.000 1.051 183 I HN 0.215 nan 8.210 nan 0.000 0.409 184 F N 0.618 120.572 119.950 0.007 0.000 2.367 184 F HA -0.046 4.481 4.527 -0.000 0.000 0.298 184 F C 1.940 177.759 175.800 0.033 0.000 1.094 184 F CA 1.167 59.187 58.000 0.032 0.000 1.409 184 F CB -0.310 38.707 39.000 0.027 0.000 1.064 184 F HN 0.109 nan 8.300 nan 0.000 0.528 185 N N -1.130 117.665 118.700 0.159 0.000 2.460 185 N HA 0.108 4.848 4.740 -0.000 0.000 0.193 185 N C 1.486 177.025 175.510 0.049 0.000 1.080 185 N CA 0.012 53.119 53.050 0.095 0.000 0.869 185 N CB 0.236 38.770 38.487 0.078 0.000 1.201 185 N HN 0.043 nan 8.380 nan 0.000 0.457 186 R N 0.241 120.762 120.500 0.035 0.000 2.195 186 R HA 0.205 4.545 4.340 -0.000 0.000 0.197 186 R C 1.020 177.315 176.300 -0.008 0.000 0.990 186 R CA 0.625 56.735 56.100 0.016 0.000 1.048 186 R CB 0.330 30.643 30.300 0.021 0.000 0.997 186 R HN 0.158 nan 8.270 nan 0.000 0.502 187 E N 0.989 121.168 120.200 -0.034 0.000 2.110 187 E HA 0.065 4.415 4.350 -0.000 0.000 0.193 187 E C 2.147 178.677 176.600 -0.118 0.000 0.950 187 E CA 0.519 56.875 56.400 -0.074 0.000 0.840 187 E CB -0.001 29.643 29.700 -0.094 0.000 0.809 187 E HN 0.161 nan 8.360 nan 0.000 0.465 188 L N 1.185 122.315 121.223 -0.156 0.000 2.141 188 L HA -0.072 4.268 4.340 -0.000 0.000 0.209 188 L C -0.614 176.134 176.870 -0.204 0.000 1.094 188 L CA 0.908 55.609 54.840 -0.231 0.000 0.763 188 L CB -1.489 40.407 42.059 -0.272 0.000 0.908 188 L HN 0.068 nan 8.230 nan 0.000 0.437 189 P HA -0.201 nan 4.420 nan 0.000 0.220 189 P C 1.330 178.605 177.300 -0.042 0.000 1.144 189 P CA 1.238 64.351 63.100 0.022 0.000 0.800 189 P CB -0.000 31.732 31.700 0.053 0.000 0.772 190 Q N -1.334 118.419 119.800 -0.078 0.000 2.378 190 Q HA 0.085 4.425 4.340 -0.000 0.000 0.205 190 Q C 1.272 177.202 176.000 -0.117 0.000 0.954 190 Q CA 0.901 56.659 55.803 -0.076 0.000 0.901 190 Q CB -0.091 28.607 28.738 -0.067 0.000 0.981 190 Q HN 0.156 nan 8.270 nan 0.000 0.483 191 A N -0.212 122.492 122.820 -0.193 0.000 2.827 191 A HA 0.220 4.539 4.320 -0.000 0.000 0.300 191 A C 1.301 178.703 177.584 -0.304 0.000 1.237 191 A CA -0.208 51.674 52.037 -0.258 0.000 0.964 191 A CB 0.213 19.003 19.000 -0.350 0.000 1.143 191 A HN 0.109 nan 8.150 nan 0.000 0.554 192 S N 0.287 115.869 115.700 -0.196 0.000 2.372 192 S HA -0.174 4.296 4.470 -0.000 0.000 0.227 192 S C 2.127 176.702 174.600 -0.042 0.000 1.044 192 S CA 2.406 60.541 58.200 -0.107 0.000 1.050 192 S CB -0.315 62.926 63.200 0.068 0.000 0.901 192 S HN 0.819 nan 8.310 nan 0.000 0.447 193 G N 1.494 110.283 108.800 -0.018 0.000 2.459 193 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.217 193 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.217 193 G C 1.396 176.243 174.900 -0.088 0.000 1.183 193 G CA 1.182 46.327 45.100 0.075 0.000 0.776 193 G HN 0.511 nan 8.290 nan 0.000 0.552 194 L N 0.470 121.411 121.223 -0.471 0.000 1.989 194 L HA -0.001 4.339 4.340 -0.000 0.000 0.211 194 L C 2.740 179.249 176.870 -0.601 0.000 1.071 194 L CA 1.637 55.823 54.840 -1.090 0.000 0.749 194 L CB -0.504 40.953 42.059 -1.004 0.000 0.890 194 L HN 0.231 nan 8.230 nan 0.000 0.431 195 L N -1.293 119.670 121.223 -0.434 0.000 2.093 195 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 195 L C 2.595 179.424 176.870 -0.069 0.000 1.085 195 L CA 1.392 56.041 54.840 -0.318 0.000 0.755 195 L CB -0.779 40.933 42.059 -0.580 0.000 0.904 195 L HN 0.452 nan 8.230 nan 0.000 0.435 196 H N -1.055 117.990 119.070 -0.041 0.000 2.387 196 H HA -0.247 4.309 4.556 -0.000 0.000 0.299 196 H C 2.311 177.628 175.328 -0.019 0.000 1.099 196 H CA 2.090 58.180 56.048 0.070 0.000 1.315 196 H CB 0.121 29.956 29.762 0.121 0.000 1.380 196 H HN 0.328 nan 8.280 nan 0.000 0.513 197 H N -0.973 118.045 119.070 -0.087 0.000 2.403 197 H HA -0.033 4.523 4.556 -0.000 0.000 0.298 197 H C 2.356 177.536 175.328 -0.246 0.000 1.059 197 H CA 1.688 57.660 56.048 -0.126 0.000 1.363 197 H CB -0.321 29.424 29.762 -0.028 0.000 1.410 197 H HN 0.576 nan 8.280 nan 0.000 0.528 198 C N -2.265 116.848 119.300 -0.312 0.000 2.551 198 C HA 0.311 4.771 4.460 -0.000 0.000 0.277 198 C C 1.700 176.513 174.990 -0.296 0.000 1.349 198 C CA 0.109 58.948 59.018 -0.298 0.000 1.750 198 C CB -0.693 26.964 27.740 -0.139 0.000 2.058 198 C HN 0.601 nan 8.230 nan 0.000 0.518 199 C N -0.841 118.311 119.300 -0.247 0.000 3.489 199 C HA 0.468 4.928 4.460 -0.000 0.000 0.264 199 C C 0.255 175.439 174.990 0.323 0.000 2.026 199 C CA -0.656 58.436 59.018 0.123 0.000 1.705 199 C CB -2.157 25.628 27.740 0.075 0.000 3.389 199 C HN 0.583 nan 8.230 nan 0.000 0.459 200 F N -0.779 119.220 119.950 0.082 0.000 3.079 200 F HA -0.254 4.273 4.527 -0.000 0.000 0.274 200 F C 0.484 176.336 175.800 0.086 0.000 0.940 200 F CA 0.460 58.466 58.000 0.010 0.000 0.932 200 F CB -2.322 36.672 39.000 -0.010 0.000 0.891 200 F HN 0.535 nan 8.300 nan 0.000 0.722 201 Y N 2.326 122.675 120.300 0.082 0.000 2.442 201 Y HA 0.414 4.964 4.550 -0.000 0.000 0.330 201 Y C 0.555 176.552 175.900 0.160 0.000 1.129 201 Y CA -0.285 57.890 58.100 0.125 0.000 1.365 201 Y CB 0.416 38.932 38.460 0.093 0.000 1.233 201 Y HN -0.050 nan 8.280 nan 0.000 0.529 202 K N 3.910 124.113 120.400 -0.328 0.000 2.295 202 K HA 0.140 4.460 4.320 -0.000 0.000 0.239 202 K C 0.437 176.794 176.600 -0.405 0.000 0.991 202 K CA -0.784 55.377 56.287 -0.210 0.000 0.845 202 K CB 1.076 33.534 32.500 -0.071 0.000 1.197 202 K HN 0.939 nan 8.250 nan 0.000 0.441 203 H N 1.724 120.673 119.070 -0.202 0.000 2.254 203 H HA -0.092 4.464 4.556 -0.000 0.000 0.294 203 H C 1.599 176.838 175.328 -0.148 0.000 1.071 203 H CA 2.484 58.447 56.048 -0.142 0.000 1.228 203 H CB 0.420 30.151 29.762 -0.050 0.000 1.358 203 H HN 0.421 nan 8.280 nan 0.000 0.495 204 R N -0.233 120.269 120.500 0.004 0.000 2.075 204 R HA 0.017 4.357 4.340 -0.000 0.000 0.232 204 R C 1.871 178.092 176.300 -0.131 0.000 1.126 204 R CA 0.603 56.673 56.100 -0.050 0.000 0.963 204 R CB -0.445 29.862 30.300 0.012 0.000 0.858 204 R HN 0.613 nan 8.270 nan 0.000 0.435 205 G N 1.443 110.151 108.800 -0.154 0.000 2.672 205 G HA2 -0.432 3.528 3.960 -0.000 0.000 0.332 205 G HA3 -0.432 3.528 3.960 -0.000 0.000 0.332 205 G C -0.280 174.540 174.900 -0.133 0.000 1.213 205 G CA 0.595 45.580 45.100 -0.192 0.000 0.980 205 G HN 0.394 nan 8.290 nan 0.000 0.548 206 R N 0.701 121.113 120.500 -0.146 0.000 3.251 206 R HA -0.197 4.143 4.340 -0.000 0.000 0.249 206 R C 1.119 177.349 176.300 -0.117 0.000 0.949 206 R CA 1.330 57.273 56.100 -0.262 0.000 0.645 206 R CB -2.445 27.640 30.300 -0.360 0.000 1.065 206 R HN 1.136 nan 8.270 nan 0.000 0.452 207 N N -0.123 118.591 118.700 0.023 0.000 2.280 207 N HA 0.005 4.745 4.740 -0.000 0.000 0.192 207 N C 0.299 175.922 175.510 0.188 0.000 1.109 207 N CA 0.100 53.206 53.050 0.094 0.000 0.855 207 N CB 0.528 39.102 38.487 0.145 0.000 0.974 207 N HN 0.330 nan 8.380 nan 0.000 0.482 208 L N 1.051 122.395 121.223 0.202 0.000 2.341 208 L HA 0.608 4.948 4.340 -0.000 0.000 0.267 208 L C -0.263 176.721 176.870 0.189 0.000 1.009 208 L CA -1.335 53.646 54.840 0.234 0.000 0.819 208 L CB 2.201 44.444 42.059 0.308 0.000 1.323 208 L HN -0.137 nan 8.230 nan 0.000 0.425 209 V N -2.022 117.948 119.914 0.093 0.000 3.040 209 V HA 0.836 4.956 4.120 -0.000 0.000 0.312 209 V C -0.180 175.956 176.094 0.071 0.000 1.115 209 V CA -0.563 61.731 62.300 -0.010 0.000 0.998 209 V CB 1.800 33.384 31.823 -0.399 0.000 1.042 209 V HN 0.846 nan 8.190 nan 0.000 0.433 210 T N 0.404 115.028 114.554 0.117 0.000 2.945 210 T HA 0.772 5.122 4.350 -0.000 0.000 0.286 210 T C -0.512 174.358 174.700 0.282 0.000 1.025 210 T CA -0.646 61.603 62.100 0.250 0.000 1.039 210 T CB 1.818 70.826 68.868 0.234 0.000 1.068 210 T HN 1.034 nan 8.240 nan 0.000 0.497 211 M N 2.237 122.146 119.600 0.516 0.000 2.267 211 M HA 0.345 4.825 4.480 -0.000 0.000 0.289 211 M C -0.147 176.423 176.300 0.450 0.000 1.043 211 M CA -0.529 55.051 55.300 0.466 0.000 0.928 211 M CB 2.251 35.117 32.600 0.442 0.000 1.613 211 M HN 0.958 nan 8.290 nan 0.000 0.450 212 T N 2.572 117.327 114.554 0.334 0.000 2.855 212 T HA 0.365 4.715 4.350 -0.000 0.000 0.314 212 T C 0.183 174.976 174.700 0.156 0.000 1.077 212 T CA 0.329 62.454 62.100 0.042 0.000 1.095 212 T CB 0.397 69.483 68.868 0.364 0.000 0.987 212 T HN 0.852 nan 8.240 nan 0.000 0.546 213 T N 0.068 114.645 114.554 0.037 0.000 2.807 213 T HA 0.875 5.225 4.350 -0.000 0.000 0.277 213 T C -0.737 174.048 174.700 0.143 0.000 1.006 213 T CA -0.495 61.657 62.100 0.087 0.000 1.006 213 T CB 1.547 70.396 68.868 -0.032 0.000 1.274 213 T HN 1.043 nan 8.240 nan 0.000 0.569 214 A N 0.769 123.573 122.820 -0.026 0.000 2.599 214 A HA 0.805 5.125 4.320 -0.000 0.000 0.294 214 A C -3.143 174.424 177.584 -0.029 0.000 1.055 214 A CA -1.515 50.576 52.037 0.089 0.000 0.683 214 A CB 0.858 20.057 19.000 0.332 0.000 1.278 214 A HN 0.707 nan 8.150 nan 0.000 0.412 215 P HA 0.339 nan 4.420 nan 0.000 0.286 215 P C -0.818 176.594 177.300 0.187 0.000 1.293 215 P CA -0.171 62.977 63.100 0.080 0.000 0.770 215 P CB 0.471 32.115 31.700 -0.094 0.000 1.206 216 R N 0.086 120.729 120.500 0.238 0.000 2.860 216 R HA 0.631 4.971 4.340 -0.000 0.000 0.282 216 R C 0.541 176.942 176.300 0.169 0.000 1.408 216 R CA -0.337 55.863 56.100 0.166 0.000 1.636 216 R CB 0.215 30.558 30.300 0.071 0.000 1.187 216 R HN 0.843 nan 8.270 nan 0.000 0.611 217 G N 0.171 109.113 108.800 0.237 0.000 2.260 217 G HA2 -0.103 3.856 3.960 -0.000 0.000 0.250 217 G HA3 -0.103 3.856 3.960 -0.000 0.000 0.250 217 G C -0.418 174.521 174.900 0.065 0.000 1.340 217 G CA -0.920 44.214 45.100 0.056 0.000 1.056 217 G HN 0.252 nan 8.290 nan 0.000 0.471 218 L N 0.780 121.775 121.223 -0.380 0.000 3.217 218 L HA 0.443 4.783 4.340 -0.000 0.000 0.288 218 L C 0.606 176.775 176.870 -1.169 0.000 1.202 218 L CA 0.443 55.040 54.840 -0.405 0.000 1.027 218 L CB 0.672 42.622 42.059 -0.181 0.000 1.427 218 L HN 0.866 nan 8.230 nan 0.000 0.600 219 Q N -1.758 116.956 119.800 -1.809 0.000 2.687 219 Q HA 0.305 4.645 4.340 -0.000 0.000 0.295 219 Q C -0.981 174.374 176.000 -1.076 0.000 0.920 219 Q CA -0.702 54.118 55.803 -1.638 0.000 0.766 219 Q CB 1.427 29.730 28.738 -0.726 0.000 1.467 219 Q HN -0.135 nan 8.270 nan 0.000 0.415 220 S N -0.790 114.658 115.700 -0.420 0.000 2.546 220 S HA 0.388 4.858 4.470 -0.000 0.000 0.290 220 S C 1.100 175.504 174.600 -0.327 0.000 1.290 220 S CA 1.847 60.006 58.200 -0.069 0.000 1.069 220 S CB -0.571 62.669 63.200 0.067 0.000 0.846 220 S HN 1.334 nan 8.310 nan 0.000 0.495 221 G N 4.100 112.516 108.800 -0.640 0.000 2.194 221 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.236 221 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.236 221 G C -0.260 174.287 174.900 -0.588 0.000 0.987 221 G CA 0.045 44.440 45.100 -1.177 0.000 0.635 221 G HN 0.675 nan 8.290 nan 0.000 0.520 222 D N -0.177 119.993 120.400 -0.383 0.000 2.339 222 D HA 0.582 5.222 4.640 -0.000 0.000 0.245 222 D C 0.946 177.141 176.300 -0.176 0.000 1.115 222 D CA 0.077 53.917 54.000 -0.267 0.000 0.917 222 D CB 0.786 41.406 40.800 -0.300 0.000 1.192 222 D HN 0.312 nan 8.370 nan 0.000 0.428 223 R N 0.498 120.857 120.500 -0.236 0.000 2.627 223 R HA 0.503 4.843 4.340 -0.000 0.000 0.251 223 R C -1.648 174.322 176.300 -0.550 0.000 1.524 223 R CA -0.286 55.588 56.100 -0.376 0.000 1.606 223 R CB 0.361 30.396 30.300 -0.441 0.000 1.396 223 R HN 0.374 nan 8.270 nan 0.000 0.724 224 A N 1.233 123.889 122.820 -0.273 0.000 2.310 224 A HA 0.520 4.840 4.320 -0.000 0.000 0.304 224 A C -0.608 176.927 177.584 -0.082 0.000 1.231 224 A CA -0.438 51.485 52.037 -0.190 0.000 0.799 224 A CB 1.368 20.256 19.000 -0.187 0.000 1.162 224 A HN 0.251 nan 8.150 nan 0.000 0.486 225 T N 1.969 116.550 114.554 0.045 0.000 2.794 225 T HA 0.376 4.725 4.350 -0.000 0.000 0.280 225 T C -0.608 174.041 174.700 -0.085 0.000 0.987 225 T CA 0.023 62.125 62.100 0.004 0.000 0.993 225 T CB 0.513 69.364 68.868 -0.029 0.000 0.939 225 T HN 0.584 nan 8.240 nan 0.000 0.449 226 W N 3.167 124.439 121.300 -0.047 0.000 2.437 226 W HA 0.456 5.116 4.660 -0.000 0.000 0.312 226 W C -0.537 175.926 176.519 -0.095 0.000 1.242 226 W CA -0.745 56.605 57.345 0.010 0.000 1.340 226 W CB 0.093 29.557 29.460 0.008 0.000 1.327 226 W HN 0.528 nan 8.180 nan 0.000 0.476 227 F N 2.660 122.815 119.950 0.342 0.000 2.420 227 F HA 0.559 5.086 4.527 -0.000 0.000 0.342 227 F C 1.041 176.990 175.800 0.248 0.000 1.113 227 F CA -0.732 57.433 58.000 0.274 0.000 1.059 227 F CB 1.112 40.218 39.000 0.177 0.000 1.128 227 F HN 0.280 nan 8.300 nan 0.000 0.475 228 G N 3.169 112.204 108.800 0.391 0.000 2.412 228 G HA2 0.626 4.586 3.960 -0.000 0.000 0.318 228 G HA3 0.626 4.586 3.960 -0.000 0.000 0.318 228 G C -1.394 173.431 174.900 -0.126 0.000 1.146 228 G CA -0.581 44.558 45.100 0.066 0.000 0.882 228 G HN 0.470 nan 8.290 nan 0.000 0.501 229 L N 0.858 121.764 121.223 -0.529 0.000 2.322 229 L HA 0.526 4.866 4.340 -0.000 0.000 0.281 229 L C -0.987 175.475 176.870 -0.681 0.000 1.014 229 L CA -0.587 54.028 54.840 -0.376 0.000 0.815 229 L CB 1.538 43.475 42.059 -0.204 0.000 1.247 229 L HN 0.483 nan 8.230 nan 0.000 0.421 230 Y N 0.974 121.173 120.300 -0.168 0.000 2.512 230 Y HA 0.468 5.018 4.550 -0.000 0.000 0.348 230 Y C -0.588 175.282 175.900 -0.050 0.000 0.990 230 Y CA -1.015 57.029 58.100 -0.094 0.000 1.033 230 Y CB 1.228 39.754 38.460 0.109 0.000 1.259 230 Y HN 0.270 nan 8.280 nan 0.000 0.461 231 Y N 1.235 121.693 120.300 0.262 0.000 2.717 231 Y HA -0.051 4.499 4.550 -0.000 0.000 0.330 231 Y C 0.880 176.841 175.900 0.102 0.000 1.217 231 Y CA -0.218 57.989 58.100 0.177 0.000 1.506 231 Y CB 0.099 38.674 38.460 0.193 0.000 1.268 231 Y HN 0.503 nan 8.280 nan 0.000 0.561 232 N N 4.126 122.945 118.700 0.197 0.000 2.498 232 N HA 0.042 4.782 4.740 -0.000 0.000 0.277 232 N C -0.988 174.559 175.510 0.061 0.000 1.208 232 N CA -0.050 53.028 53.050 0.046 0.000 1.029 232 N CB -0.323 38.151 38.487 -0.022 0.000 1.403 232 N HN 0.337 nan 8.380 nan 0.000 0.500 233 I N 1.290 121.911 120.570 0.085 0.000 2.529 233 I HA 0.016 4.186 4.170 -0.000 0.000 0.284 233 I C 0.891 177.023 176.117 0.026 0.000 1.082 233 I CA -0.233 61.093 61.300 0.044 0.000 1.406 233 I CB 0.584 38.600 38.000 0.026 0.000 1.405 233 I HN 0.361 nan 8.210 nan 0.000 0.548 234 S N 4.610 120.315 115.700 0.008 0.000 2.455 234 S HA 0.401 4.871 4.470 -0.000 0.000 0.278 234 S C 1.039 175.647 174.600 0.014 0.000 1.216 234 S CA 0.265 58.462 58.200 -0.005 0.000 1.055 234 S CB -0.068 63.116 63.200 -0.027 0.000 0.939 234 S HN 1.065 nan 8.310 nan 0.000 0.494 235 G N 3.086 111.891 108.800 0.008 0.000 2.179 235 G HA2 0.014 3.974 3.960 -0.000 0.000 0.257 235 G HA3 0.014 3.974 3.960 -0.000 0.000 0.257 235 G C 0.156 175.099 174.900 0.071 0.000 1.010 235 G CA 0.256 45.369 45.100 0.022 0.000 0.736 235 G HN 1.428 nan 8.290 nan 0.000 0.513 236 A N -1.788 121.079 122.820 0.078 0.000 2.557 236 A HA 0.930 5.250 4.320 -0.000 0.000 0.292 236 A C 0.404 177.969 177.584 -0.031 0.000 1.139 236 A CA 0.319 52.429 52.037 0.122 0.000 0.665 236 A CB 0.239 19.348 19.000 0.182 0.000 1.285 236 A HN 1.866 nan 8.150 nan 0.000 0.433 237 G N 0.021 108.664 108.800 -0.261 0.000 2.356 237 G HA2 0.424 4.384 3.960 -0.000 0.000 0.273 237 G HA3 0.424 4.384 3.960 -0.000 0.000 0.273 237 G C 0.448 175.001 174.900 -0.577 0.000 1.213 237 G CA 0.396 44.921 45.100 -0.959 0.000 0.955 237 G HN 1.340 nan 8.290 nan 0.000 0.454 238 F N 1.582 121.116 119.950 -0.693 0.000 2.604 238 F HA 0.147 4.674 4.527 -0.000 0.000 0.298 238 F C 1.487 177.051 175.800 -0.394 0.000 1.131 238 F CA -0.320 57.433 58.000 -0.412 0.000 1.457 238 F CB -0.572 38.158 39.000 -0.450 0.000 1.095 238 F HN 0.368 nan 8.300 nan 0.000 0.574 239 F N 1.032 120.516 119.950 -0.775 0.000 2.408 239 F HA 0.008 4.535 4.527 -0.000 0.000 0.300 239 F C 1.501 177.205 175.800 -0.160 0.000 1.090 239 F CA 0.725 58.336 58.000 -0.648 0.000 1.427 239 F CB -0.638 37.938 39.000 -0.707 0.000 1.070 239 F HN 0.041 nan 8.300 nan 0.000 0.549 240 L N -0.235 120.940 121.223 -0.081 0.000 2.741 240 L HA 0.141 4.481 4.340 -0.000 0.000 0.237 240 L C 0.162 176.705 176.870 -0.545 0.000 1.178 240 L CA 0.152 54.826 54.840 -0.276 0.000 0.973 240 L CB -0.251 41.547 42.059 -0.436 0.000 1.255 240 L HN 0.224 nan 8.230 nan 0.000 0.498 241 H N -1.411 117.817 119.070 0.263 0.000 2.779 241 H HA 0.198 4.754 4.556 -0.000 0.000 0.230 241 H C -0.345 175.196 175.328 0.356 0.000 1.365 241 H CA -0.404 55.823 56.048 0.298 0.000 1.086 241 H CB 0.331 30.269 29.762 0.293 0.000 2.038 241 H HN 0.103 nan 8.280 nan 0.000 0.558 242 H N 2.260 121.505 119.070 0.291 0.000 2.929 242 H HA 0.006 4.562 4.556 -0.000 0.000 0.317 242 H C 1.243 176.521 175.328 -0.083 0.000 1.031 242 H CA 0.290 56.307 56.048 -0.051 0.000 1.466 242 H CB 1.157 30.915 29.762 -0.008 0.000 1.482 242 H HN 0.279 nan 8.280 nan 0.000 0.561 243 V N 2.270 122.087 119.914 -0.162 0.000 3.623 243 V HA 0.233 4.353 4.120 -0.000 0.000 0.271 243 V C 1.337 177.288 176.094 -0.239 0.000 1.248 243 V CA 0.708 62.862 62.300 -0.244 0.000 1.156 243 V CB -0.221 31.321 31.823 -0.467 0.000 0.870 243 V HN 0.985 nan 8.190 nan 0.000 0.453 244 G N 0.139 109.002 108.800 0.104 0.000 2.157 244 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.248 244 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.248 244 G C -0.405 174.450 174.900 -0.075 0.000 0.979 244 G CA 0.292 45.260 45.100 -0.220 0.000 0.650 244 G HN 0.870 nan 8.290 nan 0.000 0.529 245 L N 0.776 122.062 121.223 0.105 0.000 2.341 245 L HA 0.865 5.205 4.340 -0.000 0.000 0.278 245 L C -0.377 176.606 176.870 0.188 0.000 1.005 245 L CA -0.861 54.081 54.840 0.170 0.000 0.818 245 L CB 1.411 43.532 42.059 0.104 0.000 1.259 245 L HN 0.217 nan 8.230 nan 0.000 0.418 246 E N 5.607 125.996 120.200 0.316 0.000 2.314 246 E HA 0.609 4.959 4.350 -0.000 0.000 0.272 246 E C -1.602 175.315 176.600 0.527 0.000 0.884 246 E CA -0.703 55.946 56.400 0.415 0.000 0.753 246 E CB 2.590 32.531 29.700 0.401 0.000 1.213 246 E HN 0.490 nan 8.360 nan 0.000 0.432 247 L N 2.582 124.102 121.223 0.495 0.000 2.410 247 L HA 0.401 4.741 4.340 -0.000 0.000 0.270 247 L C -1.142 175.786 176.870 0.097 0.000 0.983 247 L CA -1.053 53.952 54.840 0.275 0.000 0.822 247 L CB 1.721 43.861 42.059 0.135 0.000 1.285 247 L HN 0.316 nan 8.230 nan 0.000 0.409 248 L N 4.752 125.741 121.223 -0.390 0.000 2.270 248 L HA 0.426 4.766 4.340 -0.000 0.000 0.286 248 L C -0.560 176.146 176.870 -0.274 0.000 1.059 248 L CA -0.123 54.248 54.840 -0.782 0.000 0.839 248 L CB 1.143 42.329 42.059 -1.454 0.000 1.221 248 L HN 0.291 nan 8.230 nan 0.000 0.431 249 V N 5.004 124.899 119.914 -0.032 0.000 2.364 249 V HA 0.302 4.422 4.120 -0.000 0.000 0.272 249 V C 0.302 176.422 176.094 0.043 0.000 1.036 249 V CA -0.661 61.669 62.300 0.051 0.000 0.880 249 V CB 1.021 32.920 31.823 0.128 0.000 0.991 249 V HN 0.762 nan 8.190 nan 0.000 0.460 250 N N 3.940 122.607 118.700 -0.055 0.000 2.439 250 N HA 0.141 4.881 4.740 -0.000 0.000 0.243 250 N C 0.372 175.732 175.510 -0.251 0.000 1.088 250 N CA -0.368 52.601 53.050 -0.134 0.000 0.940 250 N CB 0.244 38.671 38.487 -0.099 0.000 1.180 250 N HN 0.835 nan 8.380 nan 0.000 0.505 251 H N 0.872 119.610 119.070 -0.554 0.000 2.472 251 H HA 0.319 4.874 4.556 -0.000 0.000 0.287 251 H C 1.276 176.294 175.328 -0.516 0.000 1.112 251 H CA -0.631 54.681 56.048 -1.228 0.000 1.021 251 H CB 0.553 29.299 29.762 -1.692 0.000 1.635 251 H HN 0.391 nan 8.280 nan 0.000 0.559 252 K N 1.353 121.577 120.400 -0.293 0.000 2.026 252 K HA 0.026 4.346 4.320 -0.000 0.000 0.208 252 K C 0.981 177.676 176.600 0.159 0.000 1.048 252 K CA 0.738 56.974 56.287 -0.085 0.000 0.929 252 K CB -0.164 32.281 32.500 -0.093 0.000 0.713 252 K HN 0.432 nan 8.250 nan 0.000 0.439 253 A N 1.158 124.156 122.820 0.297 0.000 2.531 253 A HA 0.026 4.346 4.320 -0.000 0.000 0.236 253 A C 1.076 178.897 177.584 0.395 0.000 1.062 253 A CA 0.030 52.260 52.037 0.322 0.000 0.760 253 A CB 0.081 19.257 19.000 0.294 0.000 0.995 253 A HN 0.406 nan 8.150 nan 0.000 0.501 254 L N 0.465 121.826 121.223 0.229 0.000 2.275 254 L HA -0.027 4.313 4.340 -0.000 0.000 0.215 254 L C 0.615 177.547 176.870 0.104 0.000 1.119 254 L CA 0.727 55.685 54.840 0.197 0.000 0.790 254 L CB -0.344 41.787 42.059 0.120 0.000 0.919 254 L HN 0.733 nan 8.230 nan 0.000 0.443 255 D N 0.068 120.483 120.400 0.024 0.000 2.373 255 D HA 0.177 4.817 4.640 -0.000 0.000 0.227 255 D C -1.802 174.267 176.300 -0.384 0.000 1.091 255 D CA -2.443 51.486 54.000 -0.118 0.000 0.840 255 D CB 1.775 42.530 40.800 -0.076 0.000 1.060 255 D HN -0.207 nan 8.370 nan 0.000 0.502 256 P HA -0.098 nan 4.420 nan 0.000 0.219 256 P C 1.066 177.795 177.300 -0.952 0.000 1.146 256 P CA 1.150 63.241 63.100 -1.683 0.000 0.808 256 P CB 0.176 31.074 31.700 -1.337 0.000 0.779 257 A N 0.363 122.910 122.820 -0.454 0.000 1.986 257 A HA -0.231 4.089 4.320 -0.000 0.000 0.220 257 A C 2.035 179.544 177.584 -0.126 0.000 1.171 257 A CA 1.503 53.409 52.037 -0.218 0.000 0.640 257 A CB -1.029 17.890 19.000 -0.134 0.000 0.811 257 A HN 0.183 nan 8.150 nan 0.000 0.451 258 R N -1.706 118.722 120.500 -0.120 0.000 2.320 258 R HA 0.008 4.348 4.340 -0.000 0.000 0.211 258 R C -0.627 175.795 176.300 0.204 0.000 0.931 258 R CA -0.382 55.739 56.100 0.034 0.000 1.071 258 R CB 0.069 30.400 30.300 0.053 0.000 1.025 258 R HN 0.544 nan 8.270 nan 0.000 0.495 259 W N 1.905 123.225 121.300 0.032 0.000 2.202 259 W HA 0.147 4.807 4.660 -0.000 0.000 0.332 259 W C 1.011 177.542 176.519 0.021 0.000 1.263 259 W CA -0.622 56.746 57.345 0.040 0.000 1.223 259 W CB 0.516 30.013 29.460 0.062 0.000 1.128 259 W HN -0.054 nan 8.180 nan 0.000 0.573 260 T N -0.370 114.326 114.554 0.237 0.000 2.831 260 T HA 0.719 5.069 4.350 -0.000 0.000 0.287 260 T C -0.873 173.863 174.700 0.060 0.000 1.070 260 T CA -0.958 61.210 62.100 0.114 0.000 1.010 260 T CB 1.933 70.843 68.868 0.070 0.000 1.264 260 T HN 0.109 nan 8.240 nan 0.000 0.532 261 I N 2.076 122.661 120.570 0.025 0.000 2.382 261 I HA 0.280 4.450 4.170 -0.000 0.000 0.285 261 I C 1.132 177.234 176.117 -0.025 0.000 1.007 261 I CA -0.451 60.843 61.300 -0.011 0.000 1.142 261 I CB 1.439 39.438 38.000 -0.002 0.000 1.289 261 I HN 0.845 nan 8.210 nan 0.000 0.453 262 Q N 3.331 123.085 119.800 -0.076 0.000 2.311 262 Q HA -0.007 4.333 4.340 -0.000 0.000 0.203 262 Q C 0.129 176.114 176.000 -0.026 0.000 0.954 262 Q CA 0.933 56.696 55.803 -0.066 0.000 0.885 262 Q CB 0.486 29.155 28.738 -0.114 0.000 0.963 262 Q HN 0.403 nan 8.270 nan 0.000 0.471 263 K N -0.840 119.539 120.400 -0.035 0.000 2.610 263 K HA 0.370 4.690 4.320 -0.000 0.000 0.278 263 K C -2.068 174.654 176.600 0.204 0.000 0.964 263 K CA -0.335 56.021 56.287 0.115 0.000 0.859 263 K CB 2.275 34.893 32.500 0.196 0.000 1.434 263 K HN -0.179 nan 8.250 nan 0.000 0.410 264 V N 3.028 123.176 119.914 0.390 0.000 2.656 264 V HA 0.588 4.708 4.120 -0.000 0.000 0.307 264 V C -1.257 175.190 176.094 0.589 0.000 1.051 264 V CA -0.770 61.788 62.300 0.430 0.000 0.893 264 V CB 1.588 33.566 31.823 0.258 0.000 0.999 264 V HN 0.693 nan 8.190 nan 0.000 0.426 265 F N 5.008 125.169 119.950 0.352 0.000 2.482 265 F HA 0.713 5.240 4.527 -0.000 0.000 0.331 265 F C -1.168 174.722 175.800 0.150 0.000 1.115 265 F CA -0.783 57.271 58.000 0.089 0.000 0.955 265 F CB 1.491 40.396 39.000 -0.158 0.000 1.136 265 F HN 0.520 nan 8.300 nan 0.000 0.452 266 Y N 5.310 125.345 120.300 -0.443 0.000 2.354 266 Y HA 0.268 4.818 4.550 -0.000 0.000 0.330 266 Y C -0.336 175.234 175.900 -0.550 0.000 1.011 266 Y CA -0.945 56.936 58.100 -0.365 0.000 1.099 266 Y CB 1.151 39.452 38.460 -0.266 0.000 1.179 266 Y HN 0.738 nan 8.280 nan 0.000 0.442 267 Q N 4.842 123.964 119.800 -1.130 0.000 2.423 267 Q HA -0.269 4.071 4.340 -0.000 0.000 0.332 267 Q C 1.062 176.536 176.000 -0.876 0.000 1.355 267 Q CA 1.386 56.650 55.803 -0.898 0.000 0.947 267 Q CB -1.461 26.652 28.738 -1.043 0.000 1.189 267 Q HN 1.394 nan 8.270 nan 0.000 0.418 268 G N -0.381 107.534 108.800 -1.474 0.000 2.199 268 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.254 268 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.254 268 G C 0.085 174.245 174.900 -1.232 0.000 0.982 268 G CA 0.422 44.383 45.100 -1.897 0.000 0.632 268 G HN 0.372 nan 8.290 nan 0.000 0.529 269 R N -0.739 119.030 120.500 -1.218 0.000 2.740 269 R HA 0.597 4.937 4.340 -0.000 0.000 0.282 269 R C -0.896 174.904 176.300 -0.833 0.000 0.969 269 R CA -0.839 54.807 56.100 -0.756 0.000 0.918 269 R CB 1.243 31.273 30.300 -0.449 0.000 1.175 269 R HN 0.168 nan 8.270 nan 0.000 0.464 270 Y N 1.290 121.368 120.300 -0.369 0.000 2.299 270 Y HA 0.280 4.830 4.550 -0.000 0.000 0.326 270 Y C -0.242 175.396 175.900 -0.435 0.000 1.164 270 Y CA 0.156 58.186 58.100 -0.116 0.000 1.234 270 Y CB 0.811 39.314 38.460 0.070 0.000 1.219 270 Y HN 0.404 nan 8.280 nan 0.000 0.497 271 Y N 0.020 120.463 120.300 0.238 0.000 2.581 271 Y HA 0.241 4.791 4.550 -0.000 0.000 0.345 271 Y C 0.358 176.350 175.900 0.154 0.000 1.036 271 Y CA -1.192 56.992 58.100 0.140 0.000 1.042 271 Y CB 1.394 39.892 38.460 0.064 0.000 1.289 271 Y HN 0.524 nan 8.280 nan 0.000 0.471 272 D N 0.090 120.638 120.400 0.246 0.000 2.333 272 D HA 0.060 4.699 4.640 -0.000 0.000 0.208 272 D C -0.004 176.373 176.300 0.128 0.000 0.984 272 D CA 0.876 54.971 54.000 0.158 0.000 0.873 272 D CB 0.364 41.225 40.800 0.102 0.000 0.935 272 D HN 0.435 nan 8.370 nan 0.000 0.521 273 S N -1.658 114.120 115.700 0.129 0.000 2.636 273 S HA 0.310 4.780 4.470 -0.000 0.000 0.268 273 S C 0.455 175.064 174.600 0.016 0.000 1.159 273 S CA -0.755 57.482 58.200 0.062 0.000 0.815 273 S CB 0.810 64.032 63.200 0.036 0.000 1.130 273 S HN -0.084 nan 8.310 nan 0.000 0.471 274 L N 0.935 122.136 121.223 -0.037 0.000 2.156 274 L HA 0.111 4.451 4.340 -0.000 0.000 0.208 274 L C 2.947 179.749 176.870 -0.114 0.000 1.095 274 L CA 1.608 56.381 54.840 -0.112 0.000 0.770 274 L CB -0.808 41.174 42.059 -0.129 0.000 0.914 274 L HN 0.947 nan 8.230 nan 0.000 0.439 275 A N -0.451 122.333 122.820 -0.060 0.000 1.902 275 A HA -0.288 4.032 4.320 -0.000 0.000 0.217 275 A C 2.282 179.845 177.584 -0.035 0.000 1.181 275 A CA 1.905 53.915 52.037 -0.045 0.000 0.623 275 A CB -0.549 18.439 19.000 -0.020 0.000 0.818 275 A HN 0.498 nan 8.150 nan 0.000 0.443 276 Q N -0.892 118.904 119.800 -0.007 0.000 2.079 276 Q HA -0.170 4.170 4.340 -0.000 0.000 0.200 276 Q C 2.002 177.994 176.000 -0.014 0.000 0.974 276 Q CA 1.656 57.479 55.803 0.034 0.000 0.840 276 Q CB -0.251 28.552 28.738 0.108 0.000 0.898 276 Q HN 0.530 nan 8.270 nan 0.000 0.430 277 L N 1.319 122.447 121.223 -0.158 0.000 1.989 277 L HA -0.199 4.141 4.340 -0.000 0.000 0.211 277 L C 2.238 178.945 176.870 -0.272 0.000 1.071 277 L CA 2.493 57.050 54.840 -0.472 0.000 0.749 277 L CB -0.892 40.724 42.059 -0.738 0.000 0.890 277 L HN 0.273 nan 8.230 nan 0.000 0.431 278 E N 0.020 120.102 120.200 -0.197 0.000 2.070 278 E HA -0.247 4.103 4.350 -0.000 0.000 0.197 278 E C 2.072 178.672 176.600 0.001 0.000 1.004 278 E CA 1.990 58.341 56.400 -0.083 0.000 0.805 278 E CB -0.598 29.052 29.700 -0.084 0.000 0.744 278 E HN 0.586 nan 8.360 nan 0.000 0.451 279 A N 0.163 122.970 122.820 -0.021 0.000 1.933 279 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 279 A C 2.204 179.785 177.584 -0.005 0.000 1.175 279 A CA 1.738 53.770 52.037 -0.009 0.000 0.628 279 A CB -0.568 18.429 19.000 -0.004 0.000 0.814 279 A HN 0.381 nan 8.150 nan 0.000 0.444 280 Q N -1.944 117.864 119.800 0.014 0.000 2.119 280 Q HA -0.141 4.199 4.340 -0.000 0.000 0.201 280 Q C 1.887 177.901 176.000 0.023 0.000 0.972 280 Q CA 1.506 57.333 55.803 0.040 0.000 0.847 280 Q CB -0.252 28.562 28.738 0.126 0.000 0.903 280 Q HN 0.773 nan 8.270 nan 0.000 0.433 281 F N 1.823 121.698 119.950 -0.125 0.000 2.102 281 F HA -0.170 4.357 4.527 -0.000 0.000 0.298 281 F C 1.793 177.524 175.800 -0.115 0.000 1.105 281 F CA 1.588 59.504 58.000 -0.139 0.000 1.239 281 F CB -0.034 38.840 39.000 -0.210 0.000 0.991 281 F HN -0.003 nan 8.300 nan 0.000 0.474 282 E N 0.056 120.089 120.200 -0.278 0.000 2.153 282 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 282 E C 2.168 178.604 176.600 -0.273 0.000 0.988 282 E CA 0.871 57.064 56.400 -0.344 0.000 0.811 282 E CB -0.346 29.279 29.700 -0.125 0.000 0.746 282 E HN 0.490 nan 8.360 nan 0.000 0.466 283 A N 0.013 122.729 122.820 -0.172 0.000 2.206 283 A HA 0.168 4.488 4.320 -0.000 0.000 0.211 283 A C 1.711 179.213 177.584 -0.137 0.000 1.158 283 A CA 0.997 52.962 52.037 -0.121 0.000 0.761 283 A CB -0.161 18.803 19.000 -0.061 0.000 0.801 283 A HN 0.352 nan 8.150 nan 0.000 0.473 284 G N -2.217 106.461 108.800 -0.203 0.000 2.148 284 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.203 284 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.203 284 G C 0.430 175.277 174.900 -0.088 0.000 0.993 284 G CA 0.304 45.292 45.100 -0.186 0.000 0.661 284 G HN 0.793 nan 8.290 nan 0.000 0.518 285 L N 0.893 122.092 121.223 -0.040 0.000 2.700 285 L HA 0.589 4.929 4.340 -0.000 0.000 0.234 285 L C 0.447 177.367 176.870 0.083 0.000 1.156 285 L CA 0.114 54.969 54.840 0.025 0.000 0.946 285 L CB 0.959 43.042 42.059 0.040 0.000 1.216 285 L HN 0.068 nan 8.230 nan 0.000 0.493 286 V N 1.019 120.996 119.914 0.105 0.000 2.326 286 V HA 0.364 4.484 4.120 -0.000 0.000 0.281 286 V C -0.420 175.790 176.094 0.193 0.000 1.015 286 V CA -0.891 61.522 62.300 0.187 0.000 0.823 286 V CB 1.069 33.035 31.823 0.239 0.000 1.009 286 V HN 0.163 nan 8.190 nan 0.000 0.436 287 N N 3.718 122.510 118.700 0.154 0.000 2.405 287 N HA 0.218 4.958 4.740 -0.000 0.000 0.260 287 N C -0.370 175.246 175.510 0.177 0.000 1.152 287 N CA 0.028 53.168 53.050 0.150 0.000 0.948 287 N CB 1.625 40.180 38.487 0.114 0.000 1.111 287 N HN 0.419 nan 8.380 nan 0.000 0.485 288 V N 3.230 123.277 119.914 0.222 0.000 2.383 288 V HA 0.197 4.317 4.120 -0.000 0.000 0.275 288 V C 0.388 176.559 176.094 0.129 0.000 1.036 288 V CA -0.791 61.635 62.300 0.210 0.000 0.889 288 V CB 1.503 33.522 31.823 0.326 0.000 0.985 288 V HN 0.272 nan 8.190 nan 0.000 0.459 289 V N 6.984 126.920 119.914 0.036 0.000 2.461 289 V HA 0.272 4.392 4.120 -0.000 0.000 0.275 289 V C 0.226 176.280 176.094 -0.066 0.000 1.047 289 V CA -0.403 61.917 62.300 0.033 0.000 0.955 289 V CB 1.249 33.150 31.823 0.130 0.000 0.988 289 V HN 0.625 nan 8.190 nan 0.000 0.471 290 L N 6.855 128.062 121.223 -0.027 0.000 2.342 290 L HA 0.410 4.749 4.340 -0.000 0.000 0.285 290 L C -0.232 176.636 176.870 -0.002 0.000 1.095 290 L CA 0.137 54.952 54.840 -0.043 0.000 0.843 290 L CB 0.070 42.114 42.059 -0.025 0.000 1.201 290 L HN 0.481 nan 8.230 nan 0.000 0.445 291 I N 6.144 126.739 120.570 0.041 0.000 2.315 291 I HA 0.314 4.484 4.170 -0.000 0.000 0.291 291 I C -1.841 174.594 176.117 0.531 0.000 1.006 291 I CA -1.797 59.642 61.300 0.232 0.000 1.265 291 I CB 1.210 39.349 38.000 0.232 0.000 1.387 291 I HN 0.399 nan 8.210 nan 0.000 0.475 292 P HA 0.172 nan 4.420 nan 0.000 0.279 292 P C -0.692 176.773 177.300 0.275 0.000 1.252 292 P CA -0.283 63.074 63.100 0.429 0.000 0.811 292 P CB 1.063 32.937 31.700 0.290 0.000 1.035 293 D N -0.831 119.361 120.400 -0.346 0.000 2.402 293 D HA 0.143 4.783 4.640 -0.000 0.000 0.216 293 D C -0.239 175.767 176.300 -0.490 0.000 1.128 293 D CA -0.124 53.417 54.000 -0.765 0.000 0.833 293 D CB -0.336 39.602 40.800 -1.436 0.000 0.971 293 D HN 0.108 nan 8.370 nan 0.000 0.503 294 N N -0.740 117.515 118.700 -0.740 0.000 2.396 294 N HA 0.653 5.392 4.740 -0.000 0.000 0.275 294 N C -0.812 173.668 175.510 -1.717 0.000 1.218 294 N CA -0.111 52.315 53.050 -1.040 0.000 0.812 294 N CB 2.257 40.372 38.487 -0.620 0.000 1.592 294 N HN 0.182 nan 8.380 nan 0.000 0.480 295 G N -0.738 106.993 108.800 -1.781 0.000 2.340 295 G HA2 0.457 4.416 3.960 -0.000 0.000 0.299 295 G HA3 0.457 4.416 3.960 -0.000 0.000 0.299 295 G C -1.520 172.916 174.900 -0.775 0.000 1.291 295 G CA -0.234 43.945 45.100 -1.536 0.000 0.841 295 G HN 0.695 nan 8.290 nan 0.000 0.500 296 T N -2.830 111.526 114.554 -0.330 0.000 2.916 296 T HA 0.951 5.301 4.350 -0.000 0.000 0.292 296 T C 0.590 175.434 174.700 0.241 0.000 1.064 296 T CA 0.400 62.506 62.100 0.011 0.000 1.011 296 T CB 1.622 70.478 68.868 -0.019 0.000 1.152 296 T HN 2.744 nan 8.240 nan 0.000 0.510 297 G N -0.190 108.744 108.800 0.224 0.000 2.631 297 G HA2 0.243 4.203 3.960 -0.000 0.000 0.504 297 G HA3 0.243 4.203 3.960 -0.000 0.000 0.504 297 G C 0.703 175.754 174.900 0.251 0.000 1.306 297 G CA -0.062 45.172 45.100 0.223 0.000 0.897 297 G HN 1.542 nan 8.290 nan 0.000 0.520 298 G N -0.520 108.381 108.800 0.168 0.000 2.471 298 G HA2 0.186 4.146 3.960 -0.000 0.000 0.219 298 G HA3 0.186 4.146 3.960 -0.000 0.000 0.219 298 G C 1.932 176.903 174.900 0.118 0.000 1.125 298 G CA 1.999 47.173 45.100 0.123 0.000 0.775 298 G HN 1.917 nan 8.290 nan 0.000 0.548 299 S N -1.509 114.240 115.700 0.082 0.000 2.603 299 S HA 0.049 4.519 4.470 -0.000 0.000 0.220 299 S C 1.456 175.930 174.600 -0.211 0.000 0.967 299 S CA 0.110 58.236 58.200 -0.123 0.000 0.920 299 S CB -0.277 62.763 63.200 -0.268 0.000 0.773 299 S HN 0.638 nan 8.310 nan 0.000 0.529 300 W N 1.628 123.082 121.300 0.256 0.000 2.835 300 W HA 0.426 5.086 4.660 -0.000 0.000 0.278 300 W C 0.907 177.513 176.519 0.145 0.000 1.075 300 W CA 0.132 57.603 57.345 0.209 0.000 1.439 300 W CB 0.416 29.942 29.460 0.109 0.000 0.927 300 W HN 0.363 nan 8.180 nan 0.000 0.604 301 S N -0.825 115.073 115.700 0.331 0.000 2.656 301 S HA 0.459 4.929 4.470 -0.000 0.000 0.273 301 S C -0.502 174.211 174.600 0.188 0.000 1.168 301 S CA -0.690 57.649 58.200 0.232 0.000 0.817 301 S CB 1.060 64.364 63.200 0.174 0.000 1.146 301 S HN -0.003 nan 8.310 nan 0.000 0.475 302 L N 0.217 121.529 121.223 0.149 0.000 2.693 302 L HA 0.435 4.775 4.340 -0.000 0.000 0.235 302 L C 0.738 177.644 176.870 0.060 0.000 1.127 302 L CA -0.015 54.884 54.840 0.098 0.000 0.914 302 L CB 0.133 42.253 42.059 0.103 0.000 1.193 302 L HN 0.645 nan 8.230 nan 0.000 0.502 303 K N 1.114 121.552 120.400 0.063 0.000 2.312 303 K HA 0.116 4.436 4.320 -0.000 0.000 0.287 303 K C 0.253 176.872 176.600 0.032 0.000 1.062 303 K CA -0.061 56.249 56.287 0.038 0.000 0.934 303 K CB 1.063 33.583 32.500 0.033 0.000 1.027 303 K HN -0.142 nan 8.250 nan 0.000 0.478 304 S N 5.379 121.089 115.700 0.016 0.000 2.498 304 S HA 0.126 4.596 4.470 -0.000 0.000 0.281 304 S C -1.143 173.463 174.600 0.010 0.000 1.265 304 S CA -1.426 56.780 58.200 0.011 0.000 1.071 304 S CB 0.634 63.834 63.200 -0.001 0.000 0.894 304 S HN 0.597 nan 8.310 nan 0.000 0.491 305 P HA -0.022 nan 4.420 nan 0.000 0.220 305 P C 0.079 177.381 177.300 0.002 0.000 1.148 305 P CA 0.465 63.570 63.100 0.009 0.000 0.803 305 P CB -0.116 31.592 31.700 0.014 0.000 0.782 306 V N 4.385 124.299 119.914 0.001 0.000 2.470 306 V HA 0.131 4.251 4.120 -0.000 0.000 0.276 306 V C -1.647 174.442 176.094 -0.009 0.000 1.040 306 V CA -1.432 60.865 62.300 -0.004 0.000 1.008 306 V CB 0.107 31.927 31.823 -0.005 0.000 0.990 306 V HN 0.136 nan 8.190 nan 0.000 0.477 307 P HA 0.197 nan 4.420 nan 0.000 0.269 307 P C -2.349 174.940 177.300 -0.019 0.000 1.215 307 P CA -0.965 62.126 63.100 -0.015 0.000 0.780 307 P CB -0.330 31.361 31.700 -0.015 0.000 0.898 308 P HA 0.116 nan 4.420 nan 0.000 0.267 308 P C 0.363 177.648 177.300 -0.026 0.000 1.200 308 P CA 0.238 63.321 63.100 -0.028 0.000 0.772 308 P CB 0.418 32.097 31.700 -0.035 0.000 0.855 309 G N 1.607 110.391 108.800 -0.026 0.000 3.135 309 G HA2 0.557 4.517 3.960 -0.000 0.000 0.159 309 G HA3 0.557 4.517 3.960 -0.000 0.000 0.159 309 G C -2.352 172.531 174.900 -0.027 0.000 1.244 309 G CA -0.757 44.328 45.100 -0.024 0.000 0.965 309 G HN 0.468 nan 8.290 nan 0.000 0.599 310 P HA 0.418 nan 4.420 nan 0.000 0.268 310 P C -0.111 177.171 177.300 -0.030 0.000 1.204 310 P CA -0.083 63.000 63.100 -0.027 0.000 0.768 310 P CB 0.758 32.444 31.700 -0.023 0.000 0.842 311 A N 5.306 128.104 122.820 -0.036 0.000 2.511 311 A HA 0.350 4.670 4.320 -0.000 0.000 0.242 311 A C -1.378 176.186 177.584 -0.034 0.000 1.069 311 A CA -0.788 51.224 52.037 -0.042 0.000 0.763 311 A CB -1.287 17.680 19.000 -0.054 0.000 1.001 311 A HN 0.506 nan 8.150 nan 0.000 0.498 312 P HA 0.322 nan 4.420 nan 0.000 0.271 312 P C -2.414 174.874 177.300 -0.020 0.000 1.244 312 P CA -0.906 62.180 63.100 -0.024 0.000 0.793 312 P CB -0.608 31.078 31.700 -0.024 0.000 0.984 313 P HA 0.297 nan 4.420 nan 0.000 0.272 313 P C -1.033 176.270 177.300 0.004 0.000 1.230 313 P CA -0.165 62.935 63.100 0.001 0.000 0.788 313 P CB 0.506 32.211 31.700 0.008 0.000 0.949 314 L N 0.807 122.043 121.223 0.022 0.000 2.422 314 L HA 0.350 4.690 4.340 -0.000 0.000 0.264 314 L C -0.705 176.213 176.870 0.080 0.000 0.984 314 L CA -0.432 54.426 54.840 0.030 0.000 0.819 314 L CB 2.153 44.212 42.059 -0.000 0.000 1.330 314 L HN 0.292 nan 8.230 nan 0.000 0.410 315 Q N 3.965 123.796 119.800 0.052 0.000 2.230 315 Q HA 0.575 4.915 4.340 -0.000 0.000 0.253 315 Q C -1.419 174.609 176.000 0.046 0.000 0.919 315 Q CA -0.423 55.399 55.803 0.031 0.000 0.908 315 Q CB 2.381 31.110 28.738 -0.015 0.000 1.245 315 Q HN 0.605 nan 8.270 nan 0.000 0.437 316 F N -1.119 118.742 119.950 -0.149 0.000 2.643 316 F HA 0.532 5.059 4.527 -0.000 0.000 0.314 316 F C -1.736 173.990 175.800 -0.123 0.000 1.096 316 F CA -1.393 56.462 58.000 -0.241 0.000 0.953 316 F CB 0.990 39.915 39.000 -0.125 0.000 1.345 316 F HN 0.257 nan 8.300 nan 0.000 0.468 317 Y N 1.996 122.366 120.300 0.117 0.000 2.434 317 Y HA 0.431 4.981 4.550 -0.000 0.000 0.341 317 Y C -2.070 173.901 175.900 0.119 0.000 0.965 317 Y CA -2.976 55.139 58.100 0.026 0.000 1.205 317 Y CB 0.554 39.080 38.460 0.110 0.000 1.121 317 Y HN 0.413 nan 8.280 nan 0.000 0.507 318 P HA -0.142 nan 4.420 nan 0.000 0.219 318 P C 0.279 177.710 177.300 0.218 0.000 1.146 318 P CA 1.594 64.842 63.100 0.247 0.000 0.808 318 P CB 0.352 32.102 31.700 0.082 0.000 0.779 319 Q N -1.154 118.747 119.800 0.169 0.000 2.141 319 Q HA 0.423 4.762 4.340 -0.000 0.000 0.248 319 Q C 0.314 176.388 176.000 0.122 0.000 0.834 319 Q CA -0.176 55.704 55.803 0.128 0.000 1.096 319 Q CB 0.745 29.533 28.738 0.084 0.000 1.189 319 Q HN 0.106 nan 8.270 nan 0.000 0.471 320 G N 1.651 110.565 108.800 0.190 0.000 2.756 320 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.678 320 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.678 320 G C -2.854 172.078 174.900 0.053 0.000 1.349 320 G CA -1.332 43.867 45.100 0.166 0.000 0.847 320 G HN 0.051 nan 8.290 nan 0.000 0.548 321 P HA 0.359 nan 4.420 nan 0.000 0.268 321 P C 0.432 177.542 177.300 -0.316 0.000 1.205 321 P CA 0.059 62.898 63.100 -0.435 0.000 0.771 321 P CB 0.387 31.783 31.700 -0.506 0.000 0.858 322 R N 2.101 122.460 120.500 -0.235 0.000 2.586 322 R HA 0.320 4.660 4.340 -0.000 0.000 0.306 322 R C -0.247 176.119 176.300 0.110 0.000 1.079 322 R CA -0.077 55.998 56.100 -0.042 0.000 1.083 322 R CB -0.427 29.866 30.300 -0.011 0.000 1.306 322 R HN 0.545 nan 8.270 nan 0.000 0.567 323 F N -2.697 117.185 119.950 -0.114 0.000 2.693 323 F HA 0.599 5.126 4.527 -0.000 0.000 0.309 323 F C -0.920 174.843 175.800 -0.061 0.000 1.129 323 F CA -1.327 56.626 58.000 -0.078 0.000 0.948 323 F CB 1.019 39.974 39.000 -0.075 0.000 1.315 323 F HN -0.157 nan 8.300 nan 0.000 0.447 324 S N 0.902 116.593 115.700 -0.015 0.000 2.599 324 S HA 0.907 5.377 4.470 -0.000 0.000 0.294 324 S C -1.700 172.935 174.600 0.060 0.000 1.094 324 S CA -0.723 57.419 58.200 -0.096 0.000 0.931 324 S CB 1.856 65.016 63.200 -0.066 0.000 1.093 324 S HN 0.933 nan 8.310 nan 0.000 0.488 325 V N 1.828 121.767 119.914 0.042 0.000 2.483 325 V HA 0.559 4.679 4.120 -0.000 0.000 0.297 325 V C -0.671 175.466 176.094 0.072 0.000 1.027 325 V CA -0.385 61.984 62.300 0.116 0.000 0.855 325 V CB 1.179 33.119 31.823 0.195 0.000 0.995 325 V HN 0.964 nan 8.190 nan 0.000 0.424 326 Q N 2.635 122.466 119.800 0.052 0.000 2.337 326 Q HA 0.543 4.883 4.340 -0.000 0.000 0.264 326 Q C 0.752 176.755 176.000 0.005 0.000 1.007 326 Q CA 0.431 56.248 55.803 0.023 0.000 0.727 326 Q CB 1.892 30.631 28.738 0.002 0.000 1.256 326 Q HN 1.103 nan 8.270 nan 0.000 0.467 327 G N 1.836 110.642 108.800 0.009 0.000 2.602 327 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.310 327 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.310 327 G C 0.588 175.419 174.900 -0.115 0.000 1.183 327 G CA 0.617 45.699 45.100 -0.030 0.000 0.979 327 G HN 0.555 nan 8.290 nan 0.000 0.545 328 S N 1.334 116.896 115.700 -0.229 0.000 2.540 328 S HA 0.271 4.741 4.470 -0.000 0.000 0.218 328 S C 1.035 175.405 174.600 -0.384 0.000 0.977 328 S CA 0.093 57.938 58.200 -0.592 0.000 0.918 328 S CB 0.179 63.064 63.200 -0.524 0.000 0.806 328 S HN 0.530 nan 8.310 nan 0.000 0.496 329 R N 1.343 121.769 120.500 -0.124 0.000 2.349 329 R HA 0.526 4.866 4.340 -0.000 0.000 0.299 329 R C -0.956 175.293 176.300 -0.084 0.000 1.027 329 R CA -0.223 55.826 56.100 -0.085 0.000 0.958 329 R CB 1.321 31.586 30.300 -0.059 0.000 1.047 329 R HN 0.028 nan 8.270 nan 0.000 0.468 330 V N 1.588 121.299 119.914 -0.339 0.000 2.581 330 V HA 0.704 4.824 4.120 -0.000 0.000 0.303 330 V C -0.377 175.484 176.094 -0.388 0.000 1.041 330 V CA -0.679 61.371 62.300 -0.417 0.000 0.907 330 V CB 1.794 33.071 31.823 -0.911 0.000 0.994 330 V HN 0.928 nan 8.190 nan 0.000 0.442 331 A N 3.046 125.784 122.820 -0.138 0.000 2.429 331 A HA 0.828 5.148 4.320 -0.000 0.000 0.289 331 A C -0.343 177.269 177.584 0.047 0.000 1.043 331 A CA -0.157 51.843 52.037 -0.062 0.000 0.722 331 A CB 1.776 20.749 19.000 -0.044 0.000 1.243 331 A HN 1.048 nan 8.150 nan 0.000 0.415 332 S N 0.646 116.387 115.700 0.068 0.000 2.751 332 S HA 0.638 5.108 4.470 -0.000 0.000 0.310 332 S C 1.162 175.786 174.600 0.041 0.000 1.128 332 S CA 0.256 58.521 58.200 0.108 0.000 0.931 332 S CB 1.219 64.522 63.200 0.171 0.000 1.177 332 S HN 1.737 nan 8.310 nan 0.000 0.530 333 S N 0.084 115.797 115.700 0.021 0.000 2.469 333 S HA 0.031 4.501 4.470 -0.000 0.000 0.238 333 S C 1.351 175.874 174.600 -0.128 0.000 0.998 333 S CA 0.716 58.890 58.200 -0.042 0.000 0.957 333 S CB -0.821 62.359 63.200 -0.033 0.000 0.764 333 S HN 0.645 nan 8.310 nan 0.000 0.514 334 L N -2.208 118.942 121.223 -0.122 0.000 2.467 334 L HA 0.449 4.789 4.340 -0.000 0.000 0.213 334 L C 0.248 176.825 176.870 -0.487 0.000 1.053 334 L CA -0.093 54.498 54.840 -0.416 0.000 0.847 334 L CB 0.161 42.023 42.059 -0.328 0.000 1.075 334 L HN 0.314 nan 8.230 nan 0.000 0.479 335 W N -0.833 120.453 121.300 -0.022 0.000 2.781 335 W HA 0.531 5.191 4.660 -0.000 0.000 0.345 335 W C -0.434 176.052 176.519 -0.054 0.000 1.085 335 W CA -0.422 56.941 57.345 0.030 0.000 1.198 335 W CB 1.935 31.415 29.460 0.034 0.000 1.423 335 W HN -0.423 nan 8.180 nan 0.000 0.532 336 T N 3.158 117.885 114.554 0.288 0.000 2.991 336 T HA 0.617 4.967 4.350 -0.000 0.000 0.303 336 T C -1.278 173.523 174.700 0.169 0.000 1.015 336 T CA -0.461 61.681 62.100 0.069 0.000 1.007 336 T CB 0.586 69.486 68.868 0.054 0.000 1.034 336 T HN 0.298 nan 8.240 nan 0.000 0.446 337 F N -0.116 119.832 119.950 -0.004 0.000 2.899 337 F HA 0.871 5.398 4.527 -0.000 0.000 0.321 337 F C -0.891 174.942 175.800 0.055 0.000 1.181 337 F CA -1.190 56.808 58.000 -0.002 0.000 0.914 337 F CB 1.236 40.174 39.000 -0.103 0.000 1.384 337 F HN 0.395 nan 8.300 nan 0.000 0.484 338 S N 0.896 116.809 115.700 0.355 0.000 2.594 338 S HA 0.745 5.215 4.470 -0.000 0.000 0.296 338 S C -1.185 173.638 174.600 0.371 0.000 1.124 338 S CA -0.634 57.706 58.200 0.233 0.000 1.011 338 S CB 0.425 63.745 63.200 0.201 0.000 1.016 338 S HN 0.867 nan 8.310 nan 0.000 0.485 339 F N 2.745 122.820 119.950 0.207 0.000 2.557 339 F HA 1.046 5.573 4.527 -0.000 0.000 0.336 339 F C 0.453 176.276 175.800 0.038 0.000 1.058 339 F CA -0.250 57.832 58.000 0.136 0.000 0.988 339 F CB 0.950 40.012 39.000 0.103 0.000 1.275 339 F HN 0.827 nan 8.300 nan 0.000 0.488 340 G N 0.208 109.109 108.800 0.167 0.000 2.321 340 G HA2 0.480 4.440 3.960 -0.000 0.000 0.296 340 G HA3 0.480 4.440 3.960 -0.000 0.000 0.296 340 G C -2.824 172.306 174.900 0.384 0.000 1.287 340 G CA -0.849 44.358 45.100 0.180 0.000 0.846 340 G HN 0.895 nan 8.290 nan 0.000 0.508 341 L N 0.977 122.409 121.223 0.349 0.000 2.541 341 L HA 0.693 5.033 4.340 -0.000 0.000 0.266 341 L C 0.526 177.488 176.870 0.153 0.000 0.966 341 L CA 0.132 55.010 54.840 0.065 0.000 0.871 341 L CB 1.391 43.117 42.059 -0.555 0.000 1.232 341 L HN 1.184 nan 8.230 nan 0.000 0.408 342 G N 2.498 111.351 108.800 0.088 0.000 2.406 342 G HA2 0.430 4.390 3.960 -0.000 0.000 0.251 342 G HA3 0.430 4.390 3.960 -0.000 0.000 0.251 342 G C 0.918 175.840 174.900 0.037 0.000 1.271 342 G CA 0.109 45.289 45.100 0.132 0.000 0.859 342 G HN 1.010 nan 8.290 nan 0.000 0.540 343 A N 2.238 125.080 122.820 0.036 0.000 1.940 343 A HA -0.009 4.310 4.320 -0.000 0.000 0.219 343 A C 1.736 179.023 177.584 -0.495 0.000 1.176 343 A CA 1.554 53.438 52.037 -0.254 0.000 0.631 343 A CB -0.269 18.350 19.000 -0.635 0.000 0.814 343 A HN 0.650 nan 8.150 nan 0.000 0.446 344 F N -0.849 119.156 119.950 0.092 0.000 2.553 344 F HA 0.058 4.585 4.527 -0.000 0.000 0.282 344 F C 2.644 178.435 175.800 -0.014 0.000 1.089 344 F CA 0.726 58.765 58.000 0.064 0.000 1.411 344 F CB -0.112 38.922 39.000 0.057 0.000 1.125 344 F HN 0.222 nan 8.300 nan 0.000 0.610 345 S N -0.379 115.395 115.700 0.123 0.000 2.501 345 S HA 0.466 4.936 4.470 -0.000 0.000 0.220 345 S C 1.343 175.809 174.600 -0.224 0.000 0.997 345 S CA 0.414 58.587 58.200 -0.045 0.000 0.919 345 S CB -0.448 62.749 63.200 -0.003 0.000 0.778 345 S HN 0.616 nan 8.310 nan 0.000 0.523 346 G N 1.902 110.582 108.800 -0.200 0.000 2.584 346 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.229 346 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.229 346 G C -3.078 171.648 174.900 -0.290 0.000 1.320 346 G CA -0.530 44.368 45.100 -0.337 0.000 0.891 346 G HN 0.454 nan 8.290 nan 0.000 0.573 347 P HA 0.354 nan 4.420 nan 0.000 0.266 347 P C -0.110 177.119 177.300 -0.119 0.000 1.195 347 P CA 0.563 63.575 63.100 -0.147 0.000 0.768 347 P CB 0.521 32.147 31.700 -0.124 0.000 0.838 348 R N 1.776 122.266 120.500 -0.017 0.000 2.710 348 R HA 0.801 5.141 4.340 -0.000 0.000 0.270 348 R C -1.434 174.793 176.300 -0.122 0.000 1.021 348 R CA -1.040 54.978 56.100 -0.136 0.000 0.889 348 R CB 1.319 31.539 30.300 -0.133 0.000 1.243 348 R HN 0.290 nan 8.270 nan 0.000 0.464 349 I N 1.557 121.898 120.570 -0.382 0.000 2.619 349 I HA 0.504 4.674 4.170 -0.000 0.000 0.292 349 I C -1.364 174.389 176.117 -0.607 0.000 1.100 349 I CA -0.834 60.320 61.300 -0.244 0.000 1.043 349 I CB 2.269 40.170 38.000 -0.165 0.000 1.239 349 I HN 0.502 nan 8.210 nan 0.000 0.420 350 F N 2.656 122.481 119.950 -0.208 0.000 2.588 350 F HA 0.334 4.861 4.527 -0.000 0.000 0.314 350 F C 0.187 175.750 175.800 -0.394 0.000 1.069 350 F CA -0.595 57.056 58.000 -0.582 0.000 0.931 350 F CB 1.483 39.712 39.000 -1.286 0.000 1.260 350 F HN 0.468 nan 8.300 nan 0.000 0.465 351 D N 1.515 121.762 120.400 -0.253 0.000 2.737 351 D HA -0.152 4.488 4.640 -0.000 0.000 0.238 351 D C -1.066 175.305 176.300 0.118 0.000 1.157 351 D CA 0.277 54.254 54.000 -0.039 0.000 0.694 351 D CB -0.630 40.196 40.800 0.043 0.000 1.021 351 D HN 0.161 nan 8.370 nan 0.000 0.420 352 V N 2.279 122.276 119.914 0.139 0.000 2.455 352 V HA 0.346 4.466 4.120 -0.000 0.000 0.273 352 V C 1.185 177.462 176.094 0.305 0.000 1.045 352 V CA 0.183 62.650 62.300 0.277 0.000 0.976 352 V CB 1.197 33.181 31.823 0.269 0.000 0.993 352 V HN 0.174 nan 8.190 nan 0.000 0.475 353 R N 3.929 124.642 120.500 0.355 0.000 2.561 353 R HA 0.506 4.846 4.340 -0.000 0.000 0.297 353 R C -1.343 175.134 176.300 0.295 0.000 0.969 353 R CA -0.617 55.651 56.100 0.280 0.000 0.879 353 R CB 2.402 32.805 30.300 0.171 0.000 1.178 353 R HN 0.620 nan 8.270 nan 0.000 0.445 354 F N 2.720 122.666 119.950 -0.006 0.000 2.388 354 F HA 0.144 4.671 4.527 -0.000 0.000 0.358 354 F C 0.333 176.056 175.800 -0.129 0.000 1.122 354 F CA -0.189 57.603 58.000 -0.346 0.000 1.056 354 F CB 1.063 39.766 39.000 -0.495 0.000 1.155 354 F HN 0.632 nan 8.300 nan 0.000 0.461 355 Q N 4.597 123.969 119.800 -0.713 0.000 2.434 355 Q HA -0.246 4.094 4.340 -0.000 0.000 0.299 355 Q C 1.105 177.009 176.000 -0.160 0.000 1.286 355 Q CA 1.075 56.600 55.803 -0.463 0.000 0.872 355 Q CB -1.458 26.958 28.738 -0.536 0.000 1.193 355 Q HN 1.333 nan 8.270 nan 0.000 0.466 356 G N -0.395 108.356 108.800 -0.081 0.000 2.217 356 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.246 356 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.246 356 G C -0.119 174.819 174.900 0.063 0.000 0.990 356 G CA 0.275 45.373 45.100 -0.004 0.000 0.627 356 G HN 0.462 nan 8.290 nan 0.000 0.522 357 E N 0.568 120.842 120.200 0.123 0.000 2.156 357 E HA 0.538 4.888 4.350 -0.000 0.000 0.279 357 E C 0.565 177.294 176.600 0.215 0.000 0.965 357 E CA -0.975 55.536 56.400 0.187 0.000 0.789 357 E CB 0.547 30.410 29.700 0.271 0.000 1.098 357 E HN 0.367 nan 8.360 nan 0.000 0.397 358 R N 4.618 125.227 120.500 0.181 0.000 2.401 358 R HA 0.084 4.424 4.340 -0.000 0.000 0.299 358 R C 0.267 176.659 176.300 0.153 0.000 1.064 358 R CA 0.198 56.402 56.100 0.174 0.000 1.000 358 R CB 0.398 30.796 30.300 0.163 0.000 0.973 358 R HN 0.708 nan 8.270 nan 0.000 0.438 359 L N 3.762 125.043 121.223 0.097 0.000 2.445 359 L HA 0.250 4.590 4.340 -0.000 0.000 0.207 359 L C -0.201 176.627 176.870 -0.069 0.000 1.053 359 L CA 0.041 54.831 54.840 -0.084 0.000 0.841 359 L CB 0.640 42.542 42.059 -0.263 0.000 1.074 359 L HN 0.338 nan 8.230 nan 0.000 0.479 360 V N -0.870 119.049 119.914 0.008 0.000 2.483 360 V HA 0.128 4.248 4.120 -0.000 0.000 0.297 360 V C 0.275 176.398 176.094 0.049 0.000 1.027 360 V CA -0.658 61.644 62.300 0.003 0.000 0.855 360 V CB 1.746 33.543 31.823 -0.043 0.000 0.995 360 V HN 0.124 nan 8.190 nan 0.000 0.424 361 Y N 3.748 124.040 120.300 -0.013 0.000 2.145 361 Y HA 0.021 4.571 4.550 -0.000 0.000 0.286 361 Y C 1.073 176.945 175.900 -0.047 0.000 1.145 361 Y CA 2.105 60.214 58.100 0.015 0.000 1.148 361 Y CB 0.505 39.001 38.460 0.059 0.000 0.981 361 Y HN 0.675 nan 8.280 nan 0.000 0.507 362 E N 0.203 120.339 120.200 -0.107 0.000 2.321 362 E HA 0.380 4.730 4.350 -0.000 0.000 0.281 362 E C -1.844 174.555 176.600 -0.335 0.000 0.910 362 E CA -0.527 55.617 56.400 -0.426 0.000 0.770 362 E CB 1.213 30.773 29.700 -0.232 0.000 1.225 362 E HN 0.197 nan 8.360 nan 0.000 0.417 363 I N 3.511 123.828 120.570 -0.422 0.000 2.418 363 I HA 0.369 4.539 4.170 -0.000 0.000 0.287 363 I C -0.624 175.318 176.117 -0.292 0.000 1.008 363 I CA -0.593 60.545 61.300 -0.269 0.000 1.104 363 I CB 1.820 39.701 38.000 -0.198 0.000 1.264 363 I HN 0.528 nan 8.210 nan 0.000 0.438 364 S N 6.027 121.617 115.700 -0.184 0.000 2.546 364 S HA 0.582 5.052 4.470 -0.000 0.000 0.274 364 S C -0.929 173.584 174.600 -0.144 0.000 1.121 364 S CA -0.879 57.215 58.200 -0.176 0.000 0.887 364 S CB 2.091 65.166 63.200 -0.209 0.000 1.094 364 S HN 0.458 nan 8.310 nan 0.000 0.474 365 L N 2.141 123.187 121.223 -0.295 0.000 2.456 365 L HA 0.379 4.719 4.340 -0.000 0.000 0.272 365 L C 0.994 177.543 176.870 -0.534 0.000 1.189 365 L CA 0.803 55.219 54.840 -0.707 0.000 0.846 365 L CB 0.218 41.675 42.059 -1.003 0.000 1.111 365 L HN 0.851 nan 8.230 nan 0.000 0.475 366 Q N 2.029 121.460 119.800 -0.615 0.000 2.471 366 Q HA 0.276 4.616 4.340 -0.000 0.000 0.241 366 Q C -0.219 175.537 176.000 -0.407 0.000 0.886 366 Q CA 0.301 55.882 55.803 -0.369 0.000 0.953 366 Q CB 0.904 29.505 28.738 -0.228 0.000 1.108 366 Q HN 0.719 nan 8.270 nan 0.000 0.575 367 E N -1.137 118.695 120.200 -0.613 0.000 2.389 367 E HA 0.626 4.976 4.350 -0.000 0.000 0.281 367 E C -2.055 174.234 176.600 -0.518 0.000 1.072 367 E CA -0.257 55.858 56.400 -0.474 0.000 0.845 367 E CB 1.423 30.848 29.700 -0.459 0.000 1.239 367 E HN 0.068 nan 8.360 nan 0.000 0.434 368 A N 1.858 124.548 122.820 -0.217 0.000 2.435 368 A HA 0.881 5.201 4.320 -0.000 0.000 0.304 368 A C -1.782 175.900 177.584 0.163 0.000 1.064 368 A CA -0.608 51.365 52.037 -0.107 0.000 0.727 368 A CB 1.240 20.043 19.000 -0.328 0.000 1.284 368 A HN 0.523 nan 8.150 nan 0.000 0.415 369 L N 0.919 122.286 121.223 0.240 0.000 2.422 369 L HA 0.886 5.226 4.340 -0.000 0.000 0.264 369 L C -0.510 176.418 176.870 0.097 0.000 0.984 369 L CA -0.085 54.831 54.840 0.126 0.000 0.819 369 L CB 2.011 44.042 42.059 -0.047 0.000 1.330 369 L HN 1.285 nan 8.230 nan 0.000 0.410 370 A N 5.759 128.615 122.820 0.061 0.000 2.375 370 A HA 0.782 5.102 4.320 -0.000 0.000 0.295 370 A C -1.242 176.282 177.584 -0.100 0.000 1.066 370 A CA -0.314 51.710 52.037 -0.022 0.000 0.722 370 A CB 0.745 19.830 19.000 0.142 0.000 1.206 370 A HN 0.631 nan 8.150 nan 0.000 0.435 371 I N 2.494 122.918 120.570 -0.243 0.000 2.378 371 I HA 0.408 4.577 4.170 -0.000 0.000 0.291 371 I C -1.005 174.979 176.117 -0.221 0.000 0.992 371 I CA -0.478 60.713 61.300 -0.182 0.000 1.154 371 I CB 1.358 39.245 38.000 -0.189 0.000 1.315 371 I HN 0.674 nan 8.210 nan 0.000 0.448 372 Y N 3.417 123.666 120.300 -0.084 0.000 2.528 372 Y HA 0.745 5.295 4.550 -0.000 0.000 0.335 372 Y C 0.704 176.584 175.900 -0.034 0.000 1.093 372 Y CA -0.469 57.605 58.100 -0.043 0.000 1.134 372 Y CB 2.153 40.557 38.460 -0.093 0.000 1.253 372 Y HN 0.529 nan 8.280 nan 0.000 0.478 373 G N -0.726 108.177 108.800 0.171 0.000 2.630 373 G HA2 0.696 4.656 3.960 -0.000 0.000 0.296 373 G HA3 0.696 4.656 3.960 -0.000 0.000 0.296 373 G C -0.853 174.093 174.900 0.077 0.000 1.285 373 G CA -0.460 44.710 45.100 0.116 0.000 0.958 373 G HN 0.967 nan 8.290 nan 0.000 0.479 374 G N -1.483 107.234 108.800 -0.139 0.000 2.320 374 G HA2 0.245 4.205 3.960 -0.000 0.000 0.296 374 G HA3 0.245 4.205 3.960 -0.000 0.000 0.296 374 G C -0.211 174.238 174.900 -0.751 0.000 1.306 374 G CA -0.257 44.673 45.100 -0.283 0.000 0.836 374 G HN 0.630 nan 8.290 nan 0.000 0.517 375 N N -1.307 117.091 118.700 -0.503 0.000 2.250 375 N HA 0.223 4.963 4.740 -0.000 0.000 0.190 375 N C 0.165 175.545 175.510 -0.216 0.000 1.116 375 N CA 0.127 52.906 53.050 -0.450 0.000 0.881 375 N CB 0.355 38.579 38.487 -0.438 0.000 1.006 375 N HN 0.350 nan 8.380 nan 0.000 0.491 376 S N 0.537 116.039 115.700 -0.330 0.000 2.537 376 S HA 0.311 4.781 4.470 -0.000 0.000 0.301 376 S C -1.933 172.210 174.600 -0.763 0.000 1.092 376 S CA -1.272 56.529 58.200 -0.666 0.000 1.048 376 S CB 2.101 65.063 63.200 -0.397 0.000 1.053 376 S HN -0.036 nan 8.310 nan 0.000 0.501 377 P HA -0.254 nan 4.420 nan 0.000 0.217 377 P C 1.386 178.129 177.300 -0.928 0.000 1.158 377 P CA 1.963 64.364 63.100 -1.166 0.000 0.887 377 P CB 0.003 30.428 31.700 -2.124 0.000 0.792 378 A N -0.242 122.162 122.820 -0.694 0.000 1.865 378 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 378 A C 2.349 179.782 177.584 -0.252 0.000 1.191 378 A CA 2.588 54.451 52.037 -0.291 0.000 0.623 378 A CB -1.659 17.323 19.000 -0.030 0.000 0.826 378 A HN 0.231 nan 8.150 nan 0.000 0.444 379 A N -1.538 121.131 122.820 -0.251 0.000 2.119 379 A HA 0.088 4.408 4.320 -0.000 0.000 0.217 379 A C 2.155 179.647 177.584 -0.152 0.000 1.153 379 A CA 1.443 53.359 52.037 -0.202 0.000 0.692 379 A CB -0.452 18.462 19.000 -0.144 0.000 0.799 379 A HN 0.583 nan 8.150 nan 0.000 0.458 380 M N -0.093 119.366 119.600 -0.235 0.000 2.132 380 M HA -0.101 4.378 4.480 -0.000 0.000 0.263 380 M C 1.528 177.764 176.300 -0.106 0.000 1.065 380 M CA 1.878 57.060 55.300 -0.198 0.000 1.122 380 M CB 0.073 32.508 32.600 -0.275 0.000 1.365 380 M HN 0.509 nan 8.290 nan 0.000 0.411 381 T N -3.047 111.440 114.554 -0.113 0.000 3.228 381 T HA 0.226 4.576 4.350 -0.000 0.000 0.278 381 T C 0.164 174.841 174.700 -0.039 0.000 1.014 381 T CA -0.467 61.618 62.100 -0.025 0.000 0.904 381 T CB -0.394 68.503 68.868 0.048 0.000 1.110 381 T HN 0.037 nan 8.240 nan 0.000 0.541 382 T N 3.349 117.841 114.554 -0.103 0.000 2.794 382 T HA 0.503 4.853 4.350 -0.000 0.000 0.296 382 T C -0.101 174.515 174.700 -0.139 0.000 0.949 382 T CA -0.386 61.578 62.100 -0.227 0.000 1.101 382 T CB 0.535 69.140 68.868 -0.437 0.000 0.905 382 T HN 0.223 nan 8.240 nan 0.000 0.516 383 R N 2.594 122.972 120.500 -0.204 0.000 2.721 383 R HA 0.253 4.593 4.340 -0.000 0.000 0.272 383 R C -1.260 174.968 176.300 -0.120 0.000 1.721 383 R CA -0.446 55.562 56.100 -0.152 0.000 1.325 383 R CB 0.473 30.721 30.300 -0.086 0.000 1.271 383 R HN 0.654 nan 8.270 nan 0.000 0.556 384 Y N 1.015 121.347 120.300 0.054 0.000 2.442 384 Y HA 0.219 4.769 4.550 -0.000 0.000 0.330 384 Y C 0.651 176.591 175.900 0.067 0.000 1.129 384 Y CA -0.503 57.670 58.100 0.122 0.000 1.365 384 Y CB 1.091 39.639 38.460 0.147 0.000 1.233 384 Y HN 0.102 nan 8.280 nan 0.000 0.529 385 V N 4.393 124.509 119.914 0.338 0.000 2.250 385 V HA 0.045 4.165 4.120 -0.000 0.000 0.268 385 V C 0.165 176.449 176.094 0.317 0.000 1.043 385 V CA -0.749 61.700 62.300 0.248 0.000 0.814 385 V CB 0.794 32.747 31.823 0.217 0.000 1.072 385 V HN 0.869 nan 8.190 nan 0.000 0.451 386 D N 3.866 124.443 120.400 0.295 0.000 2.265 386 D HA -0.129 4.511 4.640 -0.000 0.000 0.208 386 D C 2.102 178.589 176.300 0.311 0.000 0.977 386 D CA 1.639 55.831 54.000 0.320 0.000 0.871 386 D CB 0.240 41.161 40.800 0.200 0.000 0.925 386 D HN 0.680 nan 8.370 nan 0.000 0.485 387 G N 0.752 109.674 108.800 0.203 0.000 2.432 387 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.219 387 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.219 387 G C 1.738 176.762 174.900 0.208 0.000 1.135 387 G CA 0.886 46.103 45.100 0.194 0.000 0.767 387 G HN 0.376 nan 8.290 nan 0.000 0.550 388 G N 0.199 109.069 108.800 0.117 0.000 2.517 388 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.222 388 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.222 388 G C 1.446 176.275 174.900 -0.119 0.000 1.109 388 G CA 0.969 46.029 45.100 -0.067 0.000 0.746 388 G HN 0.429 nan 8.290 nan 0.000 0.576 389 F N 0.170 120.244 119.950 0.206 0.000 2.298 389 F HA 0.441 4.968 4.527 -0.000 0.000 0.282 389 F C 1.523 177.598 175.800 0.458 0.000 1.045 389 F CA 0.890 59.036 58.000 0.244 0.000 1.280 389 F CB 0.014 38.922 39.000 -0.154 0.000 1.114 389 F HN 0.309 nan 8.300 nan 0.000 0.546 390 G N 0.040 109.163 108.800 0.540 0.000 2.952 390 G HA2 0.010 3.970 3.960 -0.000 0.000 0.431 390 G HA3 0.010 3.970 3.960 -0.000 0.000 0.431 390 G C -0.200 174.878 174.900 0.296 0.000 1.325 390 G CA -0.708 44.649 45.100 0.428 0.000 1.146 390 G HN 0.010 nan 8.290 nan 0.000 0.581 391 M N 1.864 121.540 119.600 0.127 0.000 2.296 391 M HA 0.131 4.611 4.480 -0.000 0.000 0.265 391 M C 2.469 178.727 176.300 -0.070 0.000 1.064 391 M CA 2.665 57.993 55.300 0.046 0.000 1.109 391 M CB -0.142 32.376 32.600 -0.138 0.000 1.396 391 M HN 0.752 nan 8.290 nan 0.000 0.430 392 G N -0.771 107.923 108.800 -0.177 0.000 2.395 392 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.214 392 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.214 392 G C 1.576 176.320 174.900 -0.260 0.000 1.177 392 G CA 0.516 45.352 45.100 -0.438 0.000 0.794 392 G HN 0.394 nan 8.290 nan 0.000 0.532 393 K N -0.620 119.737 120.400 -0.073 0.000 2.074 393 K HA -0.146 4.174 4.320 -0.000 0.000 0.209 393 K C 1.259 177.742 176.600 -0.195 0.000 1.048 393 K CA 1.243 57.453 56.287 -0.128 0.000 0.926 393 K CB -0.244 32.237 32.500 -0.031 0.000 0.713 393 K HN 0.423 nan 8.250 nan 0.000 0.444 394 Y N 0.808 121.104 120.300 -0.006 0.000 2.625 394 Y HA 0.146 4.696 4.550 -0.000 0.000 0.285 394 Y C 0.008 175.909 175.900 0.002 0.000 1.168 394 Y CA -0.214 57.910 58.100 0.040 0.000 1.250 394 Y CB 0.231 38.755 38.460 0.105 0.000 1.130 394 Y HN -0.140 nan 8.280 nan 0.000 0.526 395 T N 1.125 115.675 114.554 -0.005 0.000 2.930 395 T HA 0.247 4.597 4.350 -0.000 0.000 0.306 395 T C 0.567 175.249 174.700 -0.030 0.000 1.045 395 T CA -0.013 62.050 62.100 -0.063 0.000 1.134 395 T CB 0.605 69.302 68.868 -0.285 0.000 0.961 395 T HN 0.313 nan 8.240 nan 0.000 0.545 396 T N 0.961 115.506 114.554 -0.015 0.000 2.885 396 T HA 0.556 4.906 4.350 -0.000 0.000 0.285 396 T C -3.017 171.661 174.700 -0.037 0.000 1.019 396 T CA -2.568 59.526 62.100 -0.010 0.000 1.010 396 T CB 1.301 70.184 68.868 0.024 0.000 1.022 396 T HN 0.141 nan 8.240 nan 0.000 0.466 397 P HA 0.133 nan 4.420 nan 0.000 0.265 397 P C -0.608 176.666 177.300 -0.043 0.000 1.187 397 P CA -0.147 62.889 63.100 -0.106 0.000 0.766 397 P CB 0.279 31.821 31.700 -0.264 0.000 0.820 398 L N 2.965 124.180 121.223 -0.013 0.000 2.260 398 L HA 0.187 4.527 4.340 -0.000 0.000 0.289 398 L C 0.626 177.500 176.870 0.007 0.000 1.057 398 L CA -0.274 54.600 54.840 0.057 0.000 0.811 398 L CB 0.266 42.445 42.059 0.201 0.000 1.184 398 L HN 0.282 nan 8.230 nan 0.000 0.429 399 T N 3.880 118.477 114.554 0.072 0.000 2.750 399 T HA 0.034 4.384 4.350 -0.000 0.000 0.286 399 T C 0.598 175.342 174.700 0.074 0.000 0.911 399 T CA -0.161 62.010 62.100 0.117 0.000 1.130 399 T CB -0.165 68.779 68.868 0.126 0.000 0.873 399 T HN 0.424 nan 8.240 nan 0.000 0.536 400 R N 2.699 123.158 120.500 -0.068 0.000 2.473 400 R HA 0.221 4.561 4.340 -0.000 0.000 0.315 400 R C 1.335 177.699 176.300 0.107 0.000 0.972 400 R CA 1.247 57.251 56.100 -0.161 0.000 1.047 400 R CB -0.576 29.347 30.300 -0.628 0.000 0.932 400 R HN 0.998 nan 8.270 nan 0.000 0.411 401 G N 2.120 110.994 108.800 0.123 0.000 2.238 401 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 401 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 401 G C 0.328 175.285 174.900 0.096 0.000 0.996 401 G CA 0.090 45.304 45.100 0.189 0.000 0.632 401 G HN 0.490 nan 8.290 nan 0.000 0.503 402 V N 0.348 120.305 119.914 0.071 0.000 2.854 402 V HA 0.173 4.293 4.120 -0.000 0.000 0.236 402 V C 2.167 178.263 176.094 0.004 0.000 1.157 402 V CA 1.758 64.073 62.300 0.024 0.000 1.187 402 V CB -0.029 31.807 31.823 0.021 0.000 0.949 402 V HN 0.199 nan 8.190 nan 0.000 0.488 403 D N -0.198 120.223 120.400 0.034 0.000 2.137 403 D HA 0.011 4.651 4.640 -0.000 0.000 0.202 403 D C 0.612 176.924 176.300 0.020 0.000 0.970 403 D CA 1.092 55.109 54.000 0.029 0.000 0.837 403 D CB 0.136 40.978 40.800 0.069 0.000 0.981 403 D HN 0.415 nan 8.370 nan 0.000 0.475 404 c N -0.194 118.426 118.600 0.033 0.000 3.044 404 c HA 0.476 5.046 4.570 -0.000 0.000 0.315 404 c C -2.394 171.576 174.090 -0.199 0.000 1.320 404 c CA -1.738 54.499 56.329 -0.153 0.000 1.582 404 c CB 1.703 44.139 42.510 -0.124 0.000 2.039 404 c HN 0.034 nan 8.230 nan 0.000 0.466 405 P HA 0.020 nan 4.420 nan 0.000 0.268 405 P C 0.048 177.335 177.300 -0.022 0.000 1.208 405 P CA 0.240 63.180 63.100 -0.268 0.000 0.777 405 P CB 0.281 31.711 31.700 -0.449 0.000 0.875 406 Y N 1.926 122.224 120.300 -0.003 0.000 2.274 406 Y HA -0.098 4.452 4.550 -0.000 0.000 0.290 406 Y C 1.541 177.536 175.900 0.157 0.000 1.145 406 Y CA 1.481 59.650 58.100 0.115 0.000 1.203 406 Y CB -0.089 38.417 38.460 0.078 0.000 0.984 406 Y HN 0.197 nan 8.280 nan 0.000 0.533 407 L N 0.382 121.756 121.223 0.252 0.000 2.629 407 L HA 0.254 4.594 4.340 -0.000 0.000 0.230 407 L C 1.031 178.015 176.870 0.190 0.000 1.151 407 L CA -0.342 54.612 54.840 0.189 0.000 0.924 407 L CB -0.704 41.351 42.059 -0.007 0.000 1.137 407 L HN 0.140 nan 8.230 nan 0.000 0.457 408 A N -0.038 122.841 122.820 0.099 0.000 2.406 408 A HA 0.307 4.627 4.320 -0.000 0.000 0.243 408 A C 0.389 177.963 177.584 -0.018 0.000 1.082 408 A CA 0.100 52.157 52.037 0.032 0.000 0.786 408 A CB 0.111 18.911 19.000 -0.333 0.000 1.029 408 A HN 0.194 nan 8.150 nan 0.000 0.495 409 T N 1.656 116.273 114.554 0.106 0.000 2.780 409 T HA 0.468 4.818 4.350 -0.000 0.000 0.294 409 T C -0.925 173.722 174.700 -0.088 0.000 0.949 409 T CA 0.575 62.742 62.100 0.112 0.000 1.074 409 T CB -0.063 68.955 68.868 0.251 0.000 0.910 409 T HN 0.362 nan 8.240 nan 0.000 0.501 410 Y N 1.485 121.883 120.300 0.164 0.000 2.360 410 Y HA 0.586 5.136 4.550 -0.000 0.000 0.337 410 Y C 0.105 176.116 175.900 0.185 0.000 1.039 410 Y CA -0.936 57.254 58.100 0.150 0.000 1.109 410 Y CB 1.382 39.882 38.460 0.067 0.000 1.201 410 Y HN 0.307 nan 8.280 nan 0.000 0.458 411 V N 2.859 123.015 119.914 0.404 0.000 2.735 411 V HA 0.339 4.459 4.120 -0.000 0.000 0.310 411 V C -0.698 175.668 176.094 0.453 0.000 1.061 411 V CA -1.155 61.395 62.300 0.417 0.000 0.913 411 V CB 1.986 34.106 31.823 0.496 0.000 1.005 411 V HN 0.650 nan 8.190 nan 0.000 0.428 412 D N 1.204 121.799 120.400 0.326 0.000 2.312 412 D HA 0.344 4.984 4.640 -0.000 0.000 0.248 412 D C -0.895 175.578 176.300 0.288 0.000 1.086 412 D CA -0.034 54.093 54.000 0.211 0.000 0.948 412 D CB 1.494 42.311 40.800 0.028 0.000 1.162 412 D HN 0.566 nan 8.370 nan 0.000 0.446 413 W N 1.525 122.795 121.300 -0.050 0.000 2.702 413 W HA 0.269 4.929 4.660 -0.000 0.000 0.331 413 W C -0.806 175.595 176.519 -0.197 0.000 1.049 413 W CA -0.443 56.909 57.345 0.012 0.000 1.230 413 W CB 0.857 30.424 29.460 0.178 0.000 1.408 413 W HN 0.257 nan 8.180 nan 0.000 0.492 414 H N 5.858 124.723 119.070 -0.341 0.000 2.529 414 H HA 0.610 5.166 4.556 -0.000 0.000 0.348 414 H C -0.838 173.995 175.328 -0.825 0.000 1.152 414 H CA -0.536 55.233 56.048 -0.464 0.000 1.202 414 H CB 1.734 31.321 29.762 -0.292 0.000 1.562 414 H HN 0.414 nan 8.280 nan 0.000 0.515 415 F N 0.394 119.988 119.950 -0.594 0.000 2.693 415 F HA 0.453 4.980 4.527 -0.000 0.000 0.309 415 F C -2.112 173.500 175.800 -0.313 0.000 1.129 415 F CA -1.272 56.344 58.000 -0.639 0.000 0.948 415 F CB 1.277 39.743 39.000 -0.891 0.000 1.315 415 F HN 0.265 nan 8.300 nan 0.000 0.447 416 L N 4.025 125.204 121.223 -0.073 0.000 2.454 416 L HA 0.693 5.033 4.340 -0.000 0.000 0.258 416 L C -1.939 174.938 176.870 0.012 0.000 1.025 416 L CA -0.693 54.106 54.840 -0.069 0.000 0.901 416 L CB 1.122 43.123 42.059 -0.097 0.000 1.210 416 L HN 0.732 nan 8.230 nan 0.000 0.457 417 L N 4.185 125.478 121.223 0.115 0.000 2.439 417 L HA 0.465 4.805 4.340 -0.000 0.000 0.270 417 L C 0.152 177.015 176.870 -0.012 0.000 0.972 417 L CA -0.721 54.097 54.840 -0.038 0.000 0.836 417 L CB 1.960 43.987 42.059 -0.054 0.000 1.255 417 L HN 0.495 nan 8.230 nan 0.000 0.404 418 E N 1.450 121.565 120.200 -0.143 0.000 2.269 418 E HA -0.233 4.117 4.350 -0.000 0.000 0.223 418 E C -0.194 176.468 176.600 0.103 0.000 1.244 418 E CA 0.903 57.306 56.400 0.005 0.000 0.713 418 E CB -0.855 28.883 29.700 0.064 0.000 1.178 418 E HN 0.754 nan 8.360 nan 0.000 0.370 419 S N -2.015 113.716 115.700 0.052 0.000 2.694 419 S HA 0.352 4.822 4.470 -0.000 0.000 0.273 419 S C 0.194 174.801 174.600 0.013 0.000 1.180 419 S CA -0.918 57.314 58.200 0.053 0.000 0.864 419 S CB 1.630 64.865 63.200 0.058 0.000 1.198 419 S HN 0.078 nan 8.310 nan 0.000 0.499 420 Q N -0.466 119.337 119.800 0.004 0.000 2.245 420 Q HA 0.461 4.801 4.340 -0.000 0.000 0.236 420 Q C 0.205 176.186 176.000 -0.030 0.000 0.842 420 Q CA 0.342 56.140 55.803 -0.008 0.000 0.945 420 Q CB 1.419 30.161 28.738 0.006 0.000 1.122 420 Q HN 0.831 nan 8.270 nan 0.000 0.506 421 A N 2.468 125.259 122.820 -0.048 0.000 2.342 421 A HA 0.622 4.942 4.320 -0.000 0.000 0.323 421 A C -2.540 174.959 177.584 -0.142 0.000 1.125 421 A CA -1.628 50.361 52.037 -0.079 0.000 0.785 421 A CB 0.733 19.695 19.000 -0.064 0.000 1.221 421 A HN -0.139 nan 8.150 nan 0.000 0.463 422 P HA 0.296 nan 4.420 nan 0.000 0.270 422 P C -0.598 176.477 177.300 -0.374 0.000 1.223 422 P CA 0.145 63.069 63.100 -0.293 0.000 0.785 422 P CB 0.754 32.310 31.700 -0.240 0.000 0.923 423 K N -0.356 119.629 120.400 -0.692 0.000 2.263 423 K HA 0.670 4.990 4.320 -0.000 0.000 0.249 423 K C -0.664 175.561 176.600 -0.626 0.000 1.076 423 K CA -0.653 55.228 56.287 -0.677 0.000 0.884 423 K CB 1.639 33.633 32.500 -0.843 0.000 1.394 423 K HN 0.308 nan 8.250 nan 0.000 0.476 424 T N 0.937 115.312 114.554 -0.299 0.000 2.916 424 T HA 0.481 4.831 4.350 -0.000 0.000 0.298 424 T C -0.762 174.022 174.700 0.140 0.000 1.031 424 T CA -0.622 61.428 62.100 -0.084 0.000 0.993 424 T CB 0.847 69.696 68.868 -0.033 0.000 1.045 424 T HN 0.300 nan 8.240 nan 0.000 0.454 425 I N 3.100 123.827 120.570 0.261 0.000 2.307 425 I HA 0.358 4.528 4.170 -0.000 0.000 0.289 425 I C 0.594 176.763 176.117 0.088 0.000 1.021 425 I CA -0.673 60.752 61.300 0.208 0.000 1.224 425 I CB 0.883 39.046 38.000 0.272 0.000 1.376 425 I HN 0.318 nan 8.210 nan 0.000 0.470 426 R N 5.540 126.040 120.500 -0.000 0.000 2.438 426 R HA 0.131 4.471 4.340 -0.000 0.000 0.287 426 R C -0.289 175.981 176.300 -0.050 0.000 1.077 426 R CA -0.310 55.767 56.100 -0.039 0.000 1.034 426 R CB 0.254 30.489 30.300 -0.109 0.000 0.993 426 R HN 0.580 nan 8.270 nan 0.000 0.459 427 D N 1.455 121.869 120.400 0.024 0.000 2.689 427 D HA -0.223 4.417 4.640 -0.000 0.000 0.237 427 D C 0.627 176.991 176.300 0.105 0.000 1.148 427 D CA 1.151 55.208 54.000 0.096 0.000 0.656 427 D CB -1.054 39.703 40.800 -0.070 0.000 1.050 427 D HN 0.757 nan 8.370 nan 0.000 0.426 428 A N -0.948 121.927 122.820 0.092 0.000 2.015 428 A HA 0.134 4.454 4.320 -0.000 0.000 0.219 428 A C 0.693 178.094 177.584 -0.305 0.000 1.163 428 A CA 0.819 52.779 52.037 -0.129 0.000 0.646 428 A CB 0.153 19.035 19.000 -0.198 0.000 0.806 428 A HN 0.254 nan 8.150 nan 0.000 0.448 429 F N -1.430 118.621 119.950 0.169 0.000 2.563 429 F HA 0.510 5.036 4.527 -0.000 0.000 0.316 429 F C 0.142 175.991 175.800 0.082 0.000 1.076 429 F CA -1.026 57.037 58.000 0.105 0.000 0.921 429 F CB 1.775 40.834 39.000 0.099 0.000 1.209 429 F HN 0.195 nan 8.300 nan 0.000 0.462 430 c N 1.241 119.951 118.600 0.183 0.000 2.498 430 c HA 0.970 5.540 4.570 -0.000 0.000 0.316 430 c C -1.081 173.010 174.090 0.002 0.000 1.209 430 c CA -0.940 55.374 56.329 -0.025 0.000 1.518 430 c CB 0.667 43.074 42.510 -0.172 0.000 2.147 430 c HN 0.634 nan 8.230 nan 0.000 0.483 431 V N 4.063 123.964 119.914 -0.021 0.000 2.588 431 V HA 0.862 4.982 4.120 -0.000 0.000 0.304 431 V C -0.378 175.724 176.094 0.012 0.000 1.042 431 V CA -0.149 62.080 62.300 -0.118 0.000 0.877 431 V CB 1.204 32.934 31.823 -0.155 0.000 0.996 431 V HN 1.023 nan 8.190 nan 0.000 0.425 432 F N 0.667 120.432 119.950 -0.310 0.000 2.678 432 F HA 0.687 5.214 4.527 -0.000 0.000 0.308 432 F C -0.684 174.976 175.800 -0.233 0.000 1.118 432 F CA -1.040 56.864 58.000 -0.161 0.000 0.959 432 F CB 1.387 40.417 39.000 0.050 0.000 1.305 432 F HN 0.372 nan 8.300 nan 0.000 0.443 433 E N 1.218 121.515 120.200 0.161 0.000 2.301 433 E HA 0.343 4.692 4.350 -0.000 0.000 0.275 433 E C -1.325 175.513 176.600 0.398 0.000 1.030 433 E CA -0.720 55.763 56.400 0.139 0.000 0.852 433 E CB 1.781 31.561 29.700 0.133 0.000 1.060 433 E HN 0.599 nan 8.360 nan 0.000 0.401 434 Q N 3.039 122.984 119.800 0.241 0.000 2.290 434 Q HA 0.147 4.487 4.340 -0.000 0.000 0.269 434 Q C -1.200 174.893 176.000 0.156 0.000 1.016 434 Q CA -0.626 55.339 55.803 0.271 0.000 0.754 434 Q CB 1.060 29.990 28.738 0.320 0.000 1.247 434 Q HN 0.343 nan 8.270 nan 0.000 0.451 435 N N 3.453 122.239 118.700 0.142 0.000 2.405 435 N HA -0.000 4.740 4.740 -0.000 0.000 0.260 435 N C 0.115 175.678 175.510 0.089 0.000 1.152 435 N CA 0.251 53.362 53.050 0.102 0.000 0.948 435 N CB 0.984 39.518 38.487 0.079 0.000 1.111 435 N HN 0.698 nan 8.380 nan 0.000 0.485 436 Q N 2.658 122.510 119.800 0.087 0.000 2.297 436 Q HA 0.002 4.342 4.340 -0.000 0.000 0.204 436 Q C 0.915 176.958 176.000 0.073 0.000 0.962 436 Q CA 0.872 56.725 55.803 0.083 0.000 0.879 436 Q CB -0.000 28.794 28.738 0.094 0.000 0.947 436 Q HN 0.921 nan 8.270 nan 0.000 0.462 437 G N 1.206 110.048 108.800 0.070 0.000 2.137 437 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.237 437 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.237 437 G C -0.144 174.792 174.900 0.061 0.000 1.002 437 G CA 0.591 45.726 45.100 0.058 0.000 0.702 437 G HN 0.366 nan 8.290 nan 0.000 0.515 438 L N -2.682 118.584 121.223 0.073 0.000 2.465 438 L HA 0.961 5.301 4.340 -0.000 0.000 0.257 438 L C -2.649 174.274 176.870 0.089 0.000 0.988 438 L CA -2.412 52.473 54.840 0.074 0.000 0.827 438 L CB 2.036 44.136 42.059 0.068 0.000 1.397 438 L HN -0.097 nan 8.230 nan 0.000 0.410 439 P HA 0.127 nan 4.420 nan 0.000 0.275 439 P C 0.236 177.592 177.300 0.094 0.000 1.228 439 P CA -0.441 62.723 63.100 0.107 0.000 0.786 439 P CB 1.573 33.347 31.700 0.123 0.000 0.927 440 L N 2.709 123.991 121.223 0.099 0.000 2.095 440 L HA 0.049 4.389 4.340 -0.000 0.000 0.204 440 L C 0.962 177.871 176.870 0.065 0.000 1.080 440 L CA 1.636 56.531 54.840 0.091 0.000 0.759 440 L CB -0.327 41.797 42.059 0.108 0.000 0.914 440 L HN 0.512 nan 8.230 nan 0.000 0.439 441 R N -0.778 119.760 120.500 0.064 0.000 2.710 441 R HA 0.664 5.004 4.340 -0.000 0.000 0.270 441 R C -1.078 175.244 176.300 0.037 0.000 1.021 441 R CA -0.960 55.165 56.100 0.042 0.000 0.889 441 R CB 1.198 31.517 30.300 0.032 0.000 1.243 441 R HN -0.022 nan 8.270 nan 0.000 0.464 442 R N 1.858 122.371 120.500 0.023 0.000 2.764 442 R HA 0.205 4.544 4.340 -0.000 0.000 0.250 442 R C -2.233 174.085 176.300 0.030 0.000 1.122 442 R CA -0.637 55.453 56.100 -0.016 0.000 1.022 442 R CB 1.823 32.184 30.300 0.101 0.000 1.266 442 R HN 0.944 nan 8.270 nan 0.000 0.454 443 H N 1.929 120.854 119.070 -0.241 0.000 2.877 443 H HA 0.370 4.926 4.556 -0.000 0.000 0.347 443 H C -1.703 173.538 175.328 -0.145 0.000 1.042 443 H CA -0.342 55.634 56.048 -0.120 0.000 1.276 443 H CB 1.109 30.843 29.762 -0.048 0.000 1.681 443 H HN 0.671 nan 8.280 nan 0.000 0.521 444 H N 2.818 121.557 119.070 -0.551 0.000 2.504 444 H HA 0.486 5.042 4.556 -0.000 0.000 0.322 444 H C -0.949 173.934 175.328 -0.743 0.000 1.055 444 H CA -0.312 55.526 56.048 -0.350 0.000 1.231 444 H CB 1.103 30.843 29.762 -0.037 0.000 1.417 444 H HN 0.441 nan 8.280 nan 0.000 0.472 445 S N 3.497 118.560 115.700 -1.063 0.000 2.456 445 S HA 0.178 4.648 4.470 -0.000 0.000 0.316 445 S C -0.175 174.089 174.600 -0.560 0.000 1.089 445 S CA -0.744 56.955 58.200 -0.836 0.000 1.101 445 S CB 0.519 63.020 63.200 -1.166 0.000 0.995 445 S HN 0.808 nan 8.310 nan 0.000 0.468 446 D N 3.407 123.658 120.400 -0.249 0.000 2.398 446 D HA 0.144 4.784 4.640 -0.000 0.000 0.210 446 D C -0.408 175.787 176.300 -0.175 0.000 1.094 446 D CA 0.060 54.051 54.000 -0.014 0.000 0.839 446 D CB 0.498 41.349 40.800 0.086 0.000 0.963 446 D HN 0.356 nan 8.370 nan 0.000 0.506 447 L N 0.480 121.518 121.223 -0.309 0.000 2.295 447 L HA 0.193 4.533 4.340 -0.000 0.000 0.281 447 L C -0.065 176.562 176.870 -0.405 0.000 1.018 447 L CA -0.109 54.459 54.840 -0.455 0.000 0.841 447 L CB -0.000 41.786 42.059 -0.456 0.000 1.218 447 L HN 0.100 nan 8.230 nan 0.000 0.424 448 Y N 0.935 121.118 120.300 -0.195 0.000 2.865 448 Y HA -0.352 4.197 4.550 -0.000 0.000 0.480 448 Y C 0.820 176.609 175.900 -0.185 0.000 1.252 448 Y CA 1.125 59.140 58.100 -0.141 0.000 2.596 448 Y CB -1.365 37.062 38.460 -0.055 0.000 0.917 448 Y HN 0.617 nan 8.280 nan 0.000 0.522 449 S N 0.446 116.118 115.700 -0.047 0.000 2.733 449 S HA 0.398 4.868 4.470 -0.000 0.000 0.294 449 S C -1.095 173.452 174.600 -0.088 0.000 1.149 449 S CA -0.704 57.504 58.200 0.013 0.000 1.034 449 S CB 0.544 63.894 63.200 0.250 0.000 1.015 449 S HN 0.251 nan 8.310 nan 0.000 0.486 450 H N 5.385 124.505 119.070 0.084 0.000 2.846 450 H HA 0.349 4.905 4.556 -0.000 0.000 0.278 450 H C -0.549 174.789 175.328 0.017 0.000 1.117 450 H CA 0.186 56.200 56.048 -0.057 0.000 1.406 450 H CB -0.252 29.495 29.762 -0.023 0.000 1.445 450 H HN 0.710 nan 8.280 nan 0.000 0.469 451 Y N 1.390 121.659 120.300 -0.051 0.000 2.638 451 Y HA 0.531 5.081 4.550 -0.000 0.000 0.335 451 Y C -1.963 173.774 175.900 -0.272 0.000 1.155 451 Y CA -1.819 56.186 58.100 -0.160 0.000 1.046 451 Y CB 1.390 39.796 38.460 -0.090 0.000 1.303 451 Y HN 0.266 nan 8.280 nan 0.000 0.460 452 F N 1.121 120.789 119.950 -0.470 0.000 2.556 452 F HA 0.898 5.425 4.527 -0.000 0.000 0.314 452 F C -0.605 174.980 175.800 -0.359 0.000 1.106 452 F CA -0.790 56.924 58.000 -0.477 0.000 0.911 452 F CB 2.240 40.839 39.000 -0.668 0.000 1.190 452 F HN 0.947 nan 8.300 nan 0.000 0.448 453 G N 2.475 110.750 108.800 -0.876 0.000 2.662 453 G HA2 0.651 4.611 3.960 -0.000 0.000 0.302 453 G HA3 0.651 4.611 3.960 -0.000 0.000 0.302 453 G C -1.146 173.264 174.900 -0.817 0.000 1.389 453 G CA -0.429 44.366 45.100 -0.509 0.000 0.998 453 G HN 1.182 nan 8.290 nan 0.000 0.502 454 G N -0.734 107.834 108.800 -0.388 0.000 2.554 454 G HA2 0.701 4.660 3.960 -0.000 0.000 0.306 454 G HA3 0.701 4.660 3.960 -0.000 0.000 0.306 454 G C -2.310 172.638 174.900 0.080 0.000 1.320 454 G CA -0.610 44.409 45.100 -0.134 0.000 0.800 454 G HN 1.546 nan 8.290 nan 0.000 0.481 455 L N -0.252 121.040 121.223 0.115 0.000 2.676 455 L HA 0.789 5.129 4.340 -0.000 0.000 0.262 455 L C 0.046 176.992 176.870 0.128 0.000 0.932 455 L CA -0.351 54.562 54.840 0.120 0.000 0.932 455 L CB 1.230 43.342 42.059 0.088 0.000 1.355 455 L HN 1.508 nan 8.230 nan 0.000 0.421 456 A N 3.468 126.366 122.820 0.130 0.000 2.407 456 A HA 0.429 4.749 4.320 -0.000 0.000 0.248 456 A C 0.052 177.703 177.584 0.112 0.000 1.082 456 A CA -0.167 51.940 52.037 0.116 0.000 0.785 456 A CB 0.175 19.238 19.000 0.105 0.000 1.020 456 A HN 0.772 nan 8.150 nan 0.000 0.489 457 E N 1.197 121.464 120.200 0.112 0.000 2.194 457 E HA 0.311 4.660 4.350 -0.000 0.000 0.284 457 E C -0.841 175.825 176.600 0.108 0.000 1.035 457 E CA -0.071 56.403 56.400 0.123 0.000 0.836 457 E CB 0.560 30.346 29.700 0.145 0.000 1.070 457 E HN 0.574 nan 8.360 nan 0.000 0.401 458 T N 3.833 118.452 114.554 0.108 0.000 2.779 458 T HA 0.354 4.704 4.350 -0.000 0.000 0.280 458 T C -0.369 174.370 174.700 0.065 0.000 0.987 458 T CA -0.680 61.475 62.100 0.091 0.000 0.966 458 T CB 1.065 69.994 68.868 0.101 0.000 0.933 458 T HN 0.379 nan 8.240 nan 0.000 0.442 459 V N 2.076 121.986 119.914 -0.007 0.000 2.881 459 V HA 0.865 4.985 4.120 -0.000 0.000 0.316 459 V C -0.801 175.200 176.094 -0.155 0.000 1.070 459 V CA -1.225 60.996 62.300 -0.132 0.000 0.976 459 V CB 1.692 33.320 31.823 -0.325 0.000 1.038 459 V HN 0.647 nan 8.190 nan 0.000 0.446 460 L N 3.150 124.250 121.223 -0.205 0.000 2.325 460 L HA 0.804 5.144 4.340 -0.000 0.000 0.281 460 L C -0.571 176.083 176.870 -0.360 0.000 1.004 460 L CA -0.072 54.596 54.840 -0.287 0.000 0.823 460 L CB 1.535 43.494 42.059 -0.167 0.000 1.236 460 L HN 0.676 nan 8.230 nan 0.000 0.415 461 V N 5.334 124.859 119.914 -0.649 0.000 2.628 461 V HA 0.664 4.784 4.120 -0.000 0.000 0.306 461 V C -0.606 175.150 176.094 -0.564 0.000 1.045 461 V CA -0.741 61.130 62.300 -0.716 0.000 0.905 461 V CB 2.059 33.158 31.823 -1.207 0.000 0.997 461 V HN 0.499 nan 8.190 nan 0.000 0.436 462 V N 4.607 124.324 119.914 -0.328 0.000 2.531 462 V HA 0.653 4.773 4.120 -0.000 0.000 0.301 462 V C -0.253 175.796 176.094 -0.074 0.000 1.034 462 V CA -0.661 61.527 62.300 -0.187 0.000 0.865 462 V CB 1.824 33.577 31.823 -0.116 0.000 0.995 462 V HN 0.918 nan 8.190 nan 0.000 0.424 463 R N 3.176 123.696 120.500 0.033 0.000 2.621 463 R HA 0.768 5.108 4.340 -0.000 0.000 0.284 463 R C -0.717 175.673 176.300 0.149 0.000 0.998 463 R CA -0.139 56.032 56.100 0.117 0.000 0.895 463 R CB 2.179 32.571 30.300 0.153 0.000 1.195 463 R HN 0.889 nan 8.270 nan 0.000 0.450 464 S N 3.608 119.402 115.700 0.157 0.000 2.661 464 S HA 0.670 5.140 4.470 -0.000 0.000 0.285 464 S C -0.632 174.054 174.600 0.143 0.000 1.138 464 S CA -1.016 57.215 58.200 0.051 0.000 0.855 464 S CB 1.981 65.084 63.200 -0.162 0.000 1.136 464 S HN 0.557 nan 8.310 nan 0.000 0.484 465 M N 1.926 121.568 119.600 0.070 0.000 2.263 465 M HA 0.409 4.889 4.480 -0.000 0.000 0.295 465 M C -1.209 175.160 176.300 0.115 0.000 1.028 465 M CA -0.383 54.964 55.300 0.078 0.000 0.921 465 M CB 2.550 35.160 32.600 0.017 0.000 1.601 465 M HN 0.703 nan 8.290 nan 0.000 0.440 466 S N 1.564 117.405 115.700 0.235 0.000 2.429 466 S HA 0.473 4.943 4.470 -0.000 0.000 0.302 466 S C -0.269 174.433 174.600 0.169 0.000 1.115 466 S CA -0.612 57.752 58.200 0.273 0.000 1.095 466 S CB 1.090 64.593 63.200 0.505 0.000 0.987 466 S HN 0.590 nan 8.310 nan 0.000 0.474 467 T N 4.254 118.887 114.554 0.131 0.000 2.853 467 T HA 0.366 4.716 4.350 -0.000 0.000 0.317 467 T C -0.489 174.258 174.700 0.079 0.000 1.059 467 T CA -0.372 61.760 62.100 0.053 0.000 0.954 467 T CB -0.157 68.751 68.868 0.067 0.000 0.994 467 T HN 0.273 nan 8.240 nan 0.000 0.479 468 L N 5.705 126.881 121.223 -0.078 0.000 2.272 468 L HA 0.464 4.804 4.340 -0.000 0.000 0.284 468 L C 0.698 177.350 176.870 -0.363 0.000 1.045 468 L CA 0.074 54.755 54.840 -0.264 0.000 0.842 468 L CB -0.038 41.837 42.059 -0.308 0.000 1.224 468 L HN 0.699 nan 8.230 nan 0.000 0.430 469 L N 0.676 121.753 121.223 -0.243 0.000 5.323 469 L HA -0.412 3.928 4.340 -0.000 0.000 0.053 469 L C 0.900 177.566 176.870 -0.339 0.000 3.097 469 L CA 1.474 56.212 54.840 -0.169 0.000 1.447 469 L CB -1.008 40.873 42.059 -0.298 0.000 2.992 469 L HN 0.888 nan 8.230 nan 0.000 0.968 473 Y N 0.490 120.685 120.300 -0.176 0.000 2.308 473 Y HA 0.532 5.082 4.550 -0.000 0.000 0.329 473 Y C 0.434 175.979 175.900 -0.591 0.000 1.111 473 Y CA -0.896 56.934 58.100 -0.450 0.000 1.179 473 Y CB 1.190 39.232 38.460 -0.698 0.000 1.201 473 Y HN 0.108 nan 8.280 nan 0.000 0.483 474 V N 3.372 123.074 119.914 -0.353 0.000 2.328 474 V HA 0.188 4.308 4.120 -0.000 0.000 0.278 474 V C -1.038 174.916 176.094 -0.234 0.000 1.021 474 V CA -1.177 60.987 62.300 -0.228 0.000 0.838 474 V CB 0.002 31.798 31.823 -0.045 0.000 0.999 474 V HN 0.661 nan 8.190 nan 0.000 0.447 475 W N 2.829 124.258 121.300 0.214 0.000 2.349 475 W HA 0.640 5.300 4.660 -0.000 0.000 0.309 475 W C -0.261 176.308 176.519 0.083 0.000 1.083 475 W CA -0.515 56.930 57.345 0.166 0.000 1.224 475 W CB 0.931 30.447 29.460 0.093 0.000 1.256 475 W HN 0.388 nan 8.180 nan 0.000 0.461 476 D N 1.725 122.256 120.400 0.218 0.000 2.505 476 D HA 0.438 5.078 4.640 -0.000 0.000 0.249 476 D C -0.610 175.593 176.300 -0.160 0.000 1.082 476 D CA -0.486 53.528 54.000 0.024 0.000 0.839 476 D CB 1.977 42.790 40.800 0.022 0.000 1.317 476 D HN 0.072 nan 8.370 nan 0.000 0.497 477 T N 0.959 115.344 114.554 -0.282 0.000 2.807 477 T HA 0.525 4.875 4.350 -0.000 0.000 0.279 477 T C -0.364 173.914 174.700 -0.703 0.000 0.993 477 T CA -0.605 61.151 62.100 -0.573 0.000 0.970 477 T CB 1.372 69.849 68.868 -0.652 0.000 0.950 477 T HN -0.014 nan 8.240 nan 0.000 0.441 478 V N 4.122 123.538 119.914 -0.830 0.000 2.444 478 V HA 0.502 4.622 4.120 -0.000 0.000 0.294 478 V C -1.014 174.537 176.094 -0.905 0.000 1.022 478 V CA -0.910 60.964 62.300 -0.709 0.000 0.850 478 V CB 0.973 32.517 31.823 -0.466 0.000 0.992 478 V HN 0.808 nan 8.190 nan 0.000 0.426 479 F N 3.765 123.333 119.950 -0.637 0.000 2.404 479 F HA 0.517 5.044 4.527 -0.000 0.000 0.354 479 F C 0.820 176.422 175.800 -0.330 0.000 1.122 479 F CA -0.407 57.116 58.000 -0.795 0.000 1.080 479 F CB 0.731 38.795 39.000 -1.559 0.000 1.131 479 F HN 0.464 nan 8.300 nan 0.000 0.471 480 H N 4.404 123.591 119.070 0.195 0.000 2.472 480 H HA 0.180 4.736 4.556 -0.000 0.000 0.335 480 H C -1.656 174.024 175.328 0.586 0.000 1.136 480 H CA -1.703 54.542 56.048 0.329 0.000 1.264 480 H CB 1.802 31.692 29.762 0.213 0.000 1.486 480 H HN 0.336 nan 8.280 nan 0.000 0.517 481 P HA -0.083 nan 4.420 nan 0.000 0.242 481 P C 1.029 178.538 177.300 0.349 0.000 1.197 481 P CA 0.646 64.030 63.100 0.474 0.000 0.765 481 P CB 0.173 32.056 31.700 0.307 0.000 0.936 482 S N -1.770 114.085 115.700 0.259 0.000 2.528 482 S HA 0.304 4.774 4.470 -0.000 0.000 0.219 482 S C 1.672 176.195 174.600 -0.127 0.000 0.985 482 S CA 0.620 58.867 58.200 0.078 0.000 0.914 482 S CB -0.894 62.346 63.200 0.067 0.000 0.776 482 S HN 0.273 nan 8.310 nan 0.000 0.526 483 G N 0.705 109.388 108.800 -0.196 0.000 2.176 483 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.232 483 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.232 483 G C 0.226 175.284 174.900 0.263 0.000 0.986 483 G CA -0.192 44.586 45.100 -0.537 0.000 0.643 483 G HN 1.215 nan 8.290 nan 0.000 0.522 484 A N 0.106 123.100 122.820 0.291 0.000 2.425 484 A HA 0.702 5.022 4.320 -0.000 0.000 0.249 484 A C 0.306 178.082 177.584 0.319 0.000 1.084 484 A CA 0.259 52.461 52.037 0.276 0.000 0.781 484 A CB 0.266 19.302 19.000 0.060 0.000 1.019 484 A HN 0.810 nan 8.150 nan 0.000 0.490 485 I N 1.453 122.118 120.570 0.158 0.000 2.404 485 I HA 0.362 4.532 4.170 -0.000 0.000 0.293 485 I C 0.162 176.117 176.117 -0.269 0.000 0.992 485 I CA -0.168 61.011 61.300 -0.200 0.000 1.149 485 I CB 1.757 39.583 38.000 -0.290 0.000 1.315 485 I HN 0.811 nan 8.210 nan 0.000 0.446 486 E N 6.530 126.452 120.200 -0.464 0.000 2.210 486 E HA 0.549 4.899 4.350 -0.000 0.000 0.266 486 E C -1.596 174.497 176.600 -0.846 0.000 0.883 486 E CA -0.783 55.191 56.400 -0.710 0.000 0.761 486 E CB 1.984 31.286 29.700 -0.664 0.000 1.156 486 E HN 0.425 nan 8.360 nan 0.000 0.412 487 I N 4.070 123.969 120.570 -1.119 0.000 2.378 487 I HA 0.394 4.564 4.170 -0.000 0.000 0.291 487 I C -0.109 175.498 176.117 -0.850 0.000 0.992 487 I CA -0.246 60.407 61.300 -1.080 0.000 1.154 487 I CB 1.380 38.413 38.000 -1.612 0.000 1.315 487 I HN 0.407 nan 8.210 nan 0.000 0.448 488 R N 5.858 126.074 120.500 -0.474 0.000 2.686 488 R HA 0.629 4.969 4.340 -0.000 0.000 0.283 488 R C -1.419 174.871 176.300 -0.018 0.000 0.978 488 R CA -0.843 55.062 56.100 -0.324 0.000 0.897 488 R CB 2.656 32.747 30.300 -0.349 0.000 1.192 488 R HN 0.560 nan 8.270 nan 0.000 0.457 489 F N 0.817 120.631 119.950 -0.227 0.000 2.577 489 F HA 0.673 5.200 4.527 -0.000 0.000 0.318 489 F C -1.728 173.836 175.800 -0.393 0.000 1.065 489 F CA -0.921 56.987 58.000 -0.155 0.000 0.929 489 F CB 1.283 40.334 39.000 0.084 0.000 1.237 489 F HN 0.350 nan 8.300 nan 0.000 0.468 490 Y N 1.559 121.756 120.300 -0.172 0.000 2.545 490 Y HA 0.746 5.296 4.550 -0.000 0.000 0.348 490 Y C -0.519 175.321 175.900 -0.100 0.000 1.002 490 Y CA -1.430 56.530 58.100 -0.233 0.000 1.039 490 Y CB 2.355 40.704 38.460 -0.185 0.000 1.271 490 Y HN 0.938 nan 8.280 nan 0.000 0.467 491 A N 1.758 124.602 122.820 0.041 0.000 2.360 491 A HA 0.625 4.945 4.320 -0.000 0.000 0.309 491 A C -0.243 177.289 177.584 -0.087 0.000 1.311 491 A CA -0.391 51.611 52.037 -0.060 0.000 0.805 491 A CB 0.785 19.655 19.000 -0.217 0.000 1.144 491 A HN 0.711 nan 8.150 nan 0.000 0.486 492 T N 1.081 115.555 114.554 -0.134 0.000 2.708 492 T HA 0.825 5.175 4.350 -0.000 0.000 0.256 492 T C 0.894 175.493 174.700 -0.169 0.000 0.946 492 T CA 1.121 63.145 62.100 -0.127 0.000 1.039 492 T CB 0.739 69.531 68.868 -0.127 0.000 1.557 492 T HN 2.476 nan 8.240 nan 0.000 0.576 493 G N -0.096 108.593 108.800 -0.184 0.000 2.542 493 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.235 493 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.235 493 G C -1.061 173.675 174.900 -0.274 0.000 1.286 493 G CA 0.047 45.014 45.100 -0.223 0.000 0.904 493 G HN 0.814 nan 8.290 nan 0.000 0.577 494 Y N 0.843 120.997 120.300 -0.243 0.000 2.310 494 Y HA 0.551 5.101 4.550 -0.000 0.000 0.326 494 Y C 1.566 177.297 175.900 -0.281 0.000 1.151 494 Y CA -0.116 57.834 58.100 -0.250 0.000 1.195 494 Y CB 0.972 39.232 38.460 -0.333 0.000 1.210 494 Y HN 0.678 nan 8.280 nan 0.000 0.483 495 I N -0.608 119.971 120.570 0.015 0.000 2.882 495 I HA 0.325 4.495 4.170 -0.000 0.000 0.286 495 I C 0.205 176.283 176.117 -0.066 0.000 1.139 495 I CA -0.366 60.923 61.300 -0.018 0.000 1.379 495 I CB 0.803 38.813 38.000 0.017 0.000 1.410 495 I HN 0.363 nan 8.210 nan 0.000 0.594 496 S N 2.265 117.923 115.700 -0.070 0.000 2.580 496 S HA 0.445 4.915 4.470 -0.000 0.000 0.274 496 S C -0.061 174.575 174.600 0.060 0.000 1.329 496 S CA -0.356 57.824 58.200 -0.034 0.000 1.036 496 S CB 0.583 63.679 63.200 -0.173 0.000 0.919 496 S HN 0.871 nan 8.310 nan 0.000 0.515 497 S N 1.176 116.962 115.700 0.145 0.000 2.618 497 S HA 0.904 5.374 4.470 -0.000 0.000 0.277 497 S C -0.862 173.851 174.600 0.187 0.000 1.138 497 S CA -0.868 57.415 58.200 0.138 0.000 0.844 497 S CB 1.716 64.984 63.200 0.114 0.000 1.127 497 S HN 0.912 nan 8.310 nan 0.000 0.474 498 A N 0.863 123.713 122.820 0.050 0.000 2.423 498 A HA 0.781 5.100 4.320 -0.000 0.000 0.304 498 A C -0.862 176.666 177.584 -0.093 0.000 1.104 498 A CA -0.819 51.136 52.037 -0.137 0.000 0.757 498 A CB 0.804 19.709 19.000 -0.157 0.000 1.313 498 A HN 1.205 nan 8.150 nan 0.000 0.423 499 F N 1.253 120.983 119.950 -0.367 0.000 2.578 499 F HA 0.372 4.898 4.527 -0.000 0.000 0.381 499 F C 0.010 175.849 175.800 0.065 0.000 1.069 499 F CA -0.397 57.552 58.000 -0.084 0.000 1.231 499 F CB 0.380 39.318 39.000 -0.102 0.000 1.086 499 F HN 0.439 nan 8.300 nan 0.000 0.564 500 L N 9.809 130.618 121.223 -0.690 0.000 2.278 500 L HA 0.413 4.753 4.340 -0.000 0.000 0.287 500 L C -1.098 175.321 176.870 -0.751 0.000 1.072 500 L CA -0.119 54.388 54.840 -0.555 0.000 0.819 500 L CB -0.253 41.625 42.059 -0.302 0.000 1.176 500 L HN 0.552 nan 8.230 nan 0.000 0.435 501 F N 3.510 123.169 119.950 -0.485 0.000 2.626 501 F HA 0.964 5.491 4.527 -0.000 0.000 0.311 501 F C 0.256 175.997 175.800 -0.098 0.000 1.088 501 F CA -0.239 57.602 58.000 -0.265 0.000 0.949 501 F CB 0.839 39.772 39.000 -0.111 0.000 1.322 501 F HN 0.901 nan 8.300 nan 0.000 0.461 502 G N 0.500 109.261 108.800 -0.065 0.000 2.681 502 G HA2 0.323 4.283 3.960 -0.000 0.000 0.220 502 G HA3 0.323 4.283 3.960 -0.000 0.000 0.220 502 G C -0.432 174.387 174.900 -0.134 0.000 1.353 502 G CA -0.324 44.712 45.100 -0.106 0.000 0.872 502 G HN 2.013 nan 8.290 nan 0.000 0.557 503 A N 0.365 123.133 122.820 -0.087 0.000 2.541 503 A HA 0.558 4.878 4.320 -0.000 0.000 0.293 503 A C 1.020 178.551 177.584 -0.088 0.000 1.307 503 A CA 1.271 53.273 52.037 -0.060 0.000 0.978 503 A CB -0.678 18.308 19.000 -0.024 0.000 1.111 503 A HN 1.628 nan 8.150 nan 0.000 0.535 504 T N 2.135 116.635 114.554 -0.091 0.000 2.784 504 T HA 0.463 4.813 4.350 -0.000 0.000 0.291 504 T C 1.360 176.011 174.700 -0.082 0.000 0.942 504 T CA 0.723 62.769 62.100 -0.090 0.000 1.161 504 T CB 0.896 69.717 68.868 -0.079 0.000 0.885 504 T HN 1.096 nan 8.240 nan 0.000 0.534 505 G N 2.768 111.506 108.800 -0.104 0.000 4.137 505 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.194 505 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.194 505 G C 0.710 175.493 174.900 -0.194 0.000 0.891 505 G CA -0.534 44.491 45.100 -0.125 0.000 0.946 505 G HN 0.545 nan 8.290 nan 0.000 0.332 506 K N -0.295 119.899 120.400 -0.344 0.000 2.358 506 K HA 0.367 4.687 4.320 -0.000 0.000 0.200 506 K C -0.023 176.096 176.600 -0.800 0.000 1.030 506 K CA 0.098 56.014 56.287 -0.619 0.000 1.097 506 K CB 0.616 32.608 32.500 -0.848 0.000 0.862 506 K HN 0.392 nan 8.250 nan 0.000 0.534 507 Y N 0.055 120.316 120.300 -0.065 0.000 2.738 507 Y HA 0.342 4.892 4.550 -0.000 0.000 0.249 507 Y C 0.545 176.418 175.900 -0.045 0.000 1.153 507 Y CA -0.568 57.498 58.100 -0.057 0.000 1.165 507 Y CB 1.439 39.853 38.460 -0.078 0.000 1.235 507 Y HN 0.106 nan 8.280 nan 0.000 0.559 508 G N 0.426 109.245 108.800 0.031 0.000 2.384 508 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.668 508 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.668 508 G C -1.458 173.444 174.900 0.002 0.000 1.280 508 G CA -1.209 43.907 45.100 0.025 0.000 0.992 508 G HN 0.017 nan 8.290 nan 0.000 0.512 509 N N 0.136 118.844 118.700 0.014 0.000 2.430 509 N HA 0.414 5.154 4.740 -0.000 0.000 0.298 509 N C -0.001 175.507 175.510 -0.004 0.000 1.130 509 N CA -0.551 52.503 53.050 0.006 0.000 0.894 509 N CB 1.818 40.327 38.487 0.037 0.000 1.209 509 N HN 0.789 nan 8.380 nan 0.000 0.503 510 Q N 0.788 120.576 119.800 -0.019 0.000 2.311 510 Q HA 0.134 4.474 4.340 -0.000 0.000 0.272 510 Q C 0.642 176.639 176.000 -0.006 0.000 1.012 510 Q CA -0.049 55.739 55.803 -0.025 0.000 0.891 510 Q CB 0.628 29.343 28.738 -0.038 0.000 1.201 510 Q HN 0.588 nan 8.270 nan 0.000 0.391 511 V N -0.502 119.406 119.914 -0.009 0.000 3.548 511 V HA 0.353 4.473 4.120 -0.000 0.000 0.279 511 V C -0.105 175.982 176.094 -0.012 0.000 1.446 511 V CA 0.501 62.799 62.300 -0.004 0.000 1.023 511 V CB 0.223 32.040 31.823 -0.010 0.000 0.820 511 V HN 0.664 nan 8.190 nan 0.000 0.438 512 S N -1.321 114.368 115.700 -0.019 0.000 2.643 512 S HA 0.396 4.866 4.470 -0.000 0.000 0.266 512 S C -1.145 173.446 174.600 -0.015 0.000 1.130 512 S CA -0.767 57.421 58.200 -0.019 0.000 0.817 512 S CB 1.080 64.245 63.200 -0.059 0.000 1.107 512 S HN 0.183 nan 8.310 nan 0.000 0.471 513 E N 0.986 121.191 120.200 0.008 0.000 2.606 513 E HA 0.039 4.389 4.350 -0.000 0.000 0.248 513 E C 0.107 176.727 176.600 0.033 0.000 1.005 513 E CA 1.106 57.482 56.400 -0.039 0.000 0.946 513 E CB -0.456 29.290 29.700 0.076 0.000 0.928 513 E HN 0.891 nan 8.360 nan 0.000 0.494 514 H N -0.972 118.146 119.070 0.079 0.000 3.631 514 H HA -0.189 4.367 4.556 -0.000 0.000 0.202 514 H C 0.323 175.642 175.328 -0.014 0.000 1.029 514 H CA 1.384 57.466 56.048 0.057 0.000 1.208 514 H CB -1.110 28.810 29.762 0.263 0.000 1.124 514 H HN 0.499 nan 8.280 nan 0.000 0.329 515 T N -0.444 114.149 114.554 0.065 0.000 2.824 515 T HA 0.539 4.889 4.350 -0.000 0.000 0.282 515 T C -0.366 174.321 174.700 -0.022 0.000 0.993 515 T CA -1.034 61.083 62.100 0.030 0.000 0.967 515 T CB 1.933 70.820 68.868 0.031 0.000 0.960 515 T HN 0.325 nan 8.240 nan 0.000 0.441 516 L N 4.190 125.390 121.223 -0.038 0.000 2.289 516 L HA 0.827 5.167 4.340 -0.000 0.000 0.285 516 L C 0.402 177.272 176.870 0.001 0.000 1.049 516 L CA -0.075 54.741 54.840 -0.040 0.000 0.804 516 L CB 0.956 42.967 42.059 -0.079 0.000 1.195 516 L HN 0.879 nan 8.230 nan 0.000 0.428 517 G N 2.992 111.798 108.800 0.011 0.000 2.351 517 G HA2 0.422 4.382 3.960 -0.000 0.000 0.287 517 G HA3 0.422 4.382 3.960 -0.000 0.000 0.287 517 G C -0.124 174.812 174.900 0.059 0.000 1.159 517 G CA -0.035 45.083 45.100 0.030 0.000 0.929 517 G HN 0.815 nan 8.290 nan 0.000 0.435 518 T N 0.220 114.842 114.554 0.114 0.000 2.832 518 T HA 0.348 4.698 4.350 -0.000 0.000 0.296 518 T C 0.572 175.423 174.700 0.252 0.000 0.968 518 T CA -0.734 61.474 62.100 0.180 0.000 1.107 518 T CB 1.888 70.883 68.868 0.211 0.000 0.916 518 T HN 0.442 nan 8.240 nan 0.000 0.517 519 V N 5.742 125.743 119.914 0.144 0.000 2.872 519 V HA 0.310 4.430 4.120 -0.000 0.000 0.307 519 V C 0.039 176.127 176.094 -0.009 0.000 1.072 519 V CA 0.491 62.803 62.300 0.022 0.000 1.148 519 V CB -0.417 31.416 31.823 0.016 0.000 0.954 519 V HN 1.209 nan 8.190 nan 0.000 0.490 520 H N 2.385 121.280 119.070 -0.291 0.000 2.987 520 H HA 0.413 4.969 4.556 -0.000 0.000 0.316 520 H C -1.035 174.026 175.328 -0.445 0.000 1.380 520 H CA -0.311 55.399 56.048 -0.563 0.000 1.160 520 H CB 1.244 30.201 29.762 -1.342 0.000 1.865 520 H HN 0.645 nan 8.280 nan 0.000 0.521 521 T N -0.503 113.825 114.554 -0.377 0.000 2.895 521 T HA 0.406 4.756 4.350 -0.000 0.000 0.283 521 T C -0.505 173.942 174.700 -0.421 0.000 1.014 521 T CA -0.798 61.094 62.100 -0.346 0.000 1.037 521 T CB 1.827 70.579 68.868 -0.194 0.000 1.006 521 T HN 0.615 nan 8.240 nan 0.000 0.468 522 H N 0.894 119.789 119.070 -0.292 0.000 2.469 522 H HA 0.686 5.242 4.556 -0.000 0.000 0.342 522 H C -0.509 174.823 175.328 0.006 0.000 1.115 522 H CA -0.649 55.312 56.048 -0.145 0.000 1.204 522 H CB 1.978 31.541 29.762 -0.330 0.000 1.492 522 H HN 0.669 nan 8.280 nan 0.000 0.499 523 S N 0.848 116.733 115.700 0.309 0.000 2.546 523 S HA 0.752 5.222 4.470 -0.000 0.000 0.274 523 S C -0.854 173.982 174.600 0.393 0.000 1.121 523 S CA -0.722 57.729 58.200 0.418 0.000 0.887 523 S CB 2.503 65.904 63.200 0.335 0.000 1.094 523 S HN 0.827 nan 8.310 nan 0.000 0.474 524 A N 1.646 124.637 122.820 0.286 0.000 2.475 524 A HA 0.763 5.083 4.320 -0.000 0.000 0.301 524 A C -1.477 175.947 177.584 -0.266 0.000 1.059 524 A CA -0.530 51.364 52.037 -0.239 0.000 0.710 524 A CB 1.298 19.807 19.000 -0.818 0.000 1.288 524 A HN 0.869 nan 8.150 nan 0.000 0.408 525 H N 0.929 119.405 119.070 -0.990 0.000 2.489 525 H HA 0.657 5.213 4.556 -0.000 0.000 0.343 525 H C -1.814 173.014 175.328 -0.833 0.000 1.086 525 H CA -0.373 55.144 56.048 -0.884 0.000 1.198 525 H CB 1.011 29.811 29.762 -1.604 0.000 1.490 525 H HN 0.508 nan 8.280 nan 0.000 0.504 526 F N 2.829 122.448 119.950 -0.552 0.000 2.520 526 F HA 0.285 4.812 4.527 -0.000 0.000 0.322 526 F C 0.167 175.695 175.800 -0.454 0.000 1.103 526 F CA -0.831 56.948 58.000 -0.369 0.000 0.926 526 F CB 1.825 40.784 39.000 -0.068 0.000 1.154 526 F HN 0.286 nan 8.300 nan 0.000 0.453 527 K N 2.758 123.030 120.400 -0.212 0.000 2.240 527 K HA 0.635 4.955 4.320 -0.000 0.000 0.271 527 K C -1.566 174.831 176.600 -0.339 0.000 1.018 527 K CA -0.350 55.658 56.287 -0.465 0.000 0.874 527 K CB 1.115 33.351 32.500 -0.439 0.000 1.098 527 K HN 0.544 nan 8.250 nan 0.000 0.458 528 V N 4.574 124.241 119.914 -0.412 0.000 2.320 528 V HA 0.058 4.178 4.120 -0.000 0.000 0.268 528 V C -0.668 175.278 176.094 -0.247 0.000 1.021 528 V CA -0.794 61.358 62.300 -0.247 0.000 0.813 528 V CB 0.953 32.642 31.823 -0.223 0.000 1.054 528 V HN 0.752 nan 8.190 nan 0.000 0.444 529 D N 4.445 124.734 120.400 -0.185 0.000 2.631 529 D HA 0.249 4.889 4.640 -0.000 0.000 0.227 529 D C 0.236 176.522 176.300 -0.024 0.000 1.146 529 D CA -0.073 53.867 54.000 -0.100 0.000 1.009 529 D CB 0.208 41.004 40.800 -0.007 0.000 1.057 529 D HN 0.396 nan 8.370 nan 0.000 0.509 530 L N 1.882 123.081 121.223 -0.040 0.000 2.490 530 L HA 0.087 4.427 4.340 -0.000 0.000 0.274 530 L C 0.341 177.233 176.870 0.036 0.000 1.201 530 L CA 0.469 55.302 54.840 -0.011 0.000 0.869 530 L CB 0.572 42.633 42.059 0.004 0.000 1.123 530 L HN 0.157 nan 8.230 nan 0.000 0.484 531 D N 2.552 122.987 120.400 0.058 0.000 2.502 531 D HA 0.169 4.809 4.640 -0.000 0.000 0.301 531 D C -0.532 175.848 176.300 0.134 0.000 1.202 531 D CA -0.234 53.825 54.000 0.099 0.000 0.878 531 D CB 1.064 41.934 40.800 0.117 0.000 1.062 531 D HN 0.023 nan 8.370 nan 0.000 0.499 532 V N 1.325 121.343 119.914 0.174 0.000 2.434 532 V HA 0.180 4.300 4.120 -0.000 0.000 0.281 532 V C 1.400 177.692 176.094 0.330 0.000 1.005 532 V CA 0.064 62.533 62.300 0.282 0.000 1.089 532 V CB -0.048 32.001 31.823 0.376 0.000 0.978 532 V HN 0.694 nan 8.190 nan 0.000 0.474 533 A N 3.525 126.558 122.820 0.354 0.000 2.799 533 A HA 0.088 4.408 4.320 -0.000 0.000 0.287 533 A C 1.123 178.792 177.584 0.142 0.000 1.484 533 A CA 1.306 53.471 52.037 0.213 0.000 0.813 533 A CB -1.469 17.607 19.000 0.127 0.000 1.009 533 A HN 2.669 nan 8.150 nan 0.000 0.545 534 G N -3.303 105.592 108.800 0.157 0.000 2.361 534 G HA2 0.331 4.291 3.960 -0.000 0.000 0.331 534 G HA3 0.331 4.291 3.960 -0.000 0.000 0.331 534 G C 0.236 175.216 174.900 0.132 0.000 1.324 534 G CA -0.279 44.900 45.100 0.131 0.000 0.984 534 G HN 0.824 nan 8.290 nan 0.000 0.586 535 L N -0.161 121.122 121.223 0.099 0.000 2.027 535 L HA 0.091 4.431 4.340 -0.000 0.000 0.206 535 L C 1.395 178.298 176.870 0.054 0.000 1.074 535 L CA 1.297 56.173 54.840 0.059 0.000 0.745 535 L CB -0.256 41.817 42.059 0.024 0.000 0.898 535 L HN 0.617 nan 8.230 nan 0.000 0.433 536 E N 0.985 121.231 120.200 0.078 0.000 2.257 536 E HA 0.166 4.516 4.350 -0.000 0.000 0.278 536 E C -0.827 175.822 176.600 0.082 0.000 1.049 536 E CA 0.227 56.628 56.400 0.001 0.000 0.876 536 E CB 0.492 30.196 29.700 0.007 0.000 1.035 536 E HN 0.243 nan 8.360 nan 0.000 0.419 537 N N 2.176 120.808 118.700 -0.114 0.000 2.262 537 N HA 0.424 5.164 4.740 -0.000 0.000 0.295 537 N C -1.106 174.357 175.510 -0.079 0.000 1.161 537 N CA -0.865 52.260 53.050 0.124 0.000 0.767 537 N CB 1.650 40.221 38.487 0.140 0.000 1.499 537 N HN 0.283 nan 8.380 nan 0.000 0.476 538 W N 0.676 122.021 121.300 0.074 0.000 2.850 538 W HA 0.592 5.252 4.660 -0.000 0.000 0.349 538 W C -0.891 175.564 176.519 -0.105 0.000 1.133 538 W CA -0.667 56.639 57.345 -0.065 0.000 1.117 538 W CB 1.589 30.961 29.460 -0.146 0.000 1.442 538 W HN 0.046 nan 8.180 nan 0.000 0.575 539 V N 0.979 120.865 119.914 -0.047 0.000 2.409 539 V HA 0.296 4.416 4.120 -0.000 0.000 0.291 539 V C -1.160 174.718 176.094 -0.360 0.000 1.020 539 V CA -0.538 61.700 62.300 -0.103 0.000 0.848 539 V CB 1.030 32.837 31.823 -0.027 0.000 0.990 539 V HN 0.401 nan 8.190 nan 0.000 0.430 540 W N 2.712 123.831 121.300 -0.301 0.000 2.520 540 W HA 0.765 5.425 4.660 -0.000 0.000 0.323 540 W C 0.051 176.375 176.519 -0.324 0.000 1.062 540 W CA -0.561 56.523 57.345 -0.434 0.000 1.215 540 W CB 1.910 30.814 29.460 -0.926 0.000 1.340 540 W HN 0.618 nan 8.180 nan 0.000 0.516 541 A N 2.867 125.779 122.820 0.153 0.000 2.291 541 A HA 0.654 4.974 4.320 -0.000 0.000 0.311 541 A C -0.747 176.956 177.584 0.198 0.000 1.224 541 A CA -0.626 51.506 52.037 0.157 0.000 0.821 541 A CB 0.609 19.704 19.000 0.158 0.000 1.172 541 A HN 0.678 nan 8.150 nan 0.000 0.494 542 E N 1.677 121.999 120.200 0.204 0.000 2.238 542 E HA 0.520 4.870 4.350 -0.000 0.000 0.267 542 E C -1.133 175.543 176.600 0.126 0.000 0.887 542 E CA -0.686 55.804 56.400 0.150 0.000 0.769 542 E CB 2.318 32.082 29.700 0.106 0.000 1.187 542 E HN 0.738 nan 8.360 nan 0.000 0.416 543 D N 0.877 121.317 120.400 0.066 0.000 3.455 543 D HA 0.435 5.075 4.640 -0.000 0.000 0.320 543 D C -1.251 175.046 176.300 -0.005 0.000 1.401 543 D CA -0.373 53.662 54.000 0.059 0.000 0.982 543 D CB 1.681 42.519 40.800 0.063 0.000 1.397 543 D HN 0.447 nan 8.370 nan 0.000 0.607 544 M N 0.020 119.608 119.600 -0.021 0.000 2.575 544 M HA 0.733 5.213 4.480 -0.000 0.000 0.284 544 M C -1.743 174.494 176.300 -0.105 0.000 1.253 544 M CA -0.797 54.443 55.300 -0.100 0.000 0.861 544 M CB 2.861 35.380 32.600 -0.134 0.000 1.733 544 M HN 0.118 nan 8.290 nan 0.000 0.462 545 V N 1.310 121.103 119.914 -0.202 0.000 3.204 545 V HA 0.669 4.789 4.120 -0.000 0.000 0.298 545 V C -2.186 173.736 176.094 -0.286 0.000 1.328 545 V CA -0.573 61.648 62.300 -0.131 0.000 1.035 545 V CB 2.962 34.769 31.823 -0.026 0.000 1.095 545 V HN 0.864 nan 8.190 nan 0.000 0.442 546 F N 3.596 123.557 119.950 0.019 0.000 2.426 546 F HA 0.672 5.199 4.527 -0.000 0.000 0.348 546 F C 0.001 175.809 175.800 0.013 0.000 1.124 546 F CA -0.715 57.294 58.000 0.015 0.000 1.008 546 F CB 2.070 41.078 39.000 0.014 0.000 1.139 546 F HN 0.208 nan 8.300 nan 0.000 0.452 547 V N 5.761 125.776 119.914 0.168 0.000 2.334 547 V HA 0.325 4.445 4.120 -0.000 0.000 0.281 547 V C -2.113 174.040 176.094 0.098 0.000 1.016 547 V CA -2.088 60.274 62.300 0.103 0.000 0.832 547 V CB 1.323 33.179 31.823 0.056 0.000 0.999 547 V HN 0.459 nan 8.190 nan 0.000 0.439 548 P HA 0.189 nan 4.420 nan 0.000 0.266 548 P C -0.648 176.666 177.300 0.024 0.000 1.215 548 P CA 0.210 63.336 63.100 0.043 0.000 0.763 548 P CB 0.535 32.251 31.700 0.026 0.000 0.806 549 M N 1.336 120.942 119.600 0.010 0.000 2.664 549 M HA 0.790 5.270 4.480 -0.000 0.000 0.279 549 M C -0.969 175.308 176.300 -0.039 0.000 1.275 549 M CA -1.422 53.872 55.300 -0.011 0.000 0.829 549 M CB 1.969 34.566 32.600 -0.006 0.000 1.727 549 M HN 0.124 nan 8.290 nan 0.000 0.459 550 A N 1.290 124.077 122.820 -0.055 0.000 2.425 550 A HA 0.532 4.852 4.320 -0.000 0.000 0.249 550 A C -0.055 177.435 177.584 -0.158 0.000 1.084 550 A CA -0.570 51.414 52.037 -0.089 0.000 0.781 550 A CB 0.089 19.044 19.000 -0.075 0.000 1.019 550 A HN 0.657 nan 8.150 nan 0.000 0.490 551 V N 5.655 125.419 119.914 -0.250 0.000 2.446 551 V HA 0.050 4.170 4.120 -0.000 0.000 0.276 551 V C -1.321 174.459 176.094 -0.523 0.000 1.030 551 V CA -0.564 61.416 62.300 -0.534 0.000 1.033 551 V CB 0.564 31.935 31.823 -0.753 0.000 0.993 551 V HN 0.837 nan 8.190 nan 0.000 0.477 552 P HA -0.193 nan 4.420 nan 0.000 0.214 552 P C 1.428 178.699 177.300 -0.050 0.000 1.172 552 P CA 2.042 65.073 63.100 -0.114 0.000 0.925 552 P CB -0.077 31.682 31.700 0.099 0.000 0.793 553 W N -1.511 119.803 121.300 0.022 0.000 2.721 553 W HA 0.216 4.876 4.660 -0.000 0.000 0.245 553 W C 0.263 176.805 176.519 0.038 0.000 1.276 553 W CA 0.560 57.918 57.345 0.023 0.000 1.342 553 W CB -0.719 28.748 29.460 0.013 0.000 1.135 553 W HN -0.092 nan 8.180 nan 0.000 0.654 554 S N 0.747 116.255 115.700 -0.320 0.000 2.413 554 S HA 0.263 4.733 4.470 -0.000 0.000 0.170 554 S C -1.945 172.586 174.600 -0.115 0.000 1.294 554 S CA -0.947 57.178 58.200 -0.126 0.000 1.201 554 S CB 0.456 63.626 63.200 -0.050 0.000 1.328 554 S HN -0.230 nan 8.310 nan 0.000 0.418 555 P HA -0.082 nan 4.420 nan 0.000 0.222 555 P C 1.230 178.476 177.300 -0.090 0.000 1.147 555 P CA 0.667 63.713 63.100 -0.088 0.000 0.790 555 P CB 0.094 31.760 31.700 -0.056 0.000 0.780 556 E N -0.745 119.389 120.200 -0.110 0.000 2.502 556 E HA -0.087 4.263 4.350 -0.000 0.000 0.194 556 E C -0.280 176.119 176.600 -0.335 0.000 1.062 556 E CA 0.406 56.684 56.400 -0.203 0.000 0.867 556 E CB -0.666 28.894 29.700 -0.232 0.000 0.888 556 E HN 0.371 nan 8.360 nan 0.000 0.510 557 H N 0.103 119.113 119.070 -0.100 0.000 2.670 557 H HA 0.363 4.918 4.556 -0.000 0.000 0.361 557 H C -0.244 175.015 175.328 -0.115 0.000 1.169 557 H CA -0.761 55.227 56.048 -0.099 0.000 1.198 557 H CB 1.353 31.048 29.762 -0.112 0.000 1.700 557 H HN -0.094 nan 8.280 nan 0.000 0.542 558 Q N 1.759 121.588 119.800 0.047 0.000 2.274 558 Q HA 0.371 4.711 4.340 -0.000 0.000 0.260 558 Q C -0.969 175.021 176.000 -0.016 0.000 0.974 558 Q CA -1.011 54.788 55.803 -0.007 0.000 0.876 558 Q CB 2.558 31.292 28.738 -0.007 0.000 1.297 558 Q HN 0.465 nan 8.270 nan 0.000 0.446 559 L N -0.799 120.404 121.223 -0.033 0.000 2.301 559 L HA 0.547 4.887 4.340 -0.000 0.000 0.264 559 L C -0.527 176.356 176.870 0.022 0.000 1.016 559 L CA -0.916 53.917 54.840 -0.011 0.000 0.821 559 L CB 1.241 43.287 42.059 -0.022 0.000 1.346 559 L HN 0.189 nan 8.230 nan 0.000 0.429 560 Q N 1.547 121.378 119.800 0.053 0.000 2.390 560 Q HA 0.352 4.692 4.340 -0.000 0.000 0.249 560 Q C -0.737 175.415 176.000 0.252 0.000 0.996 560 Q CA -0.285 55.597 55.803 0.131 0.000 0.899 560 Q CB 1.278 30.033 28.738 0.027 0.000 1.216 560 Q HN 0.555 nan 8.270 nan 0.000 0.465 561 R N 2.509 123.124 120.500 0.191 0.000 2.291 561 R HA 0.133 4.473 4.340 -0.000 0.000 0.333 561 R C -0.553 175.807 176.300 0.100 0.000 1.082 561 R CA -0.415 55.766 56.100 0.135 0.000 0.948 561 R CB -0.232 30.109 30.300 0.068 0.000 1.009 561 R HN 0.399 nan 8.270 nan 0.000 0.460 562 L N 3.824 125.070 121.223 0.038 0.000 2.410 562 L HA 0.184 4.524 4.340 -0.000 0.000 0.273 562 L C -0.663 176.090 176.870 -0.195 0.000 1.144 562 L CA 0.963 55.625 54.840 -0.297 0.000 0.863 562 L CB 0.654 42.556 42.059 -0.263 0.000 1.140 562 L HN 0.696 nan 8.230 nan 0.000 0.463 563 Q N 3.068 122.725 119.800 -0.238 0.000 2.423 563 Q HA 0.558 4.898 4.340 -0.000 0.000 0.278 563 Q C -1.286 174.628 176.000 -0.143 0.000 1.097 563 Q CA -1.108 54.614 55.803 -0.135 0.000 0.809 563 Q CB 2.608 31.301 28.738 -0.075 0.000 1.391 563 Q HN 0.490 nan 8.270 nan 0.000 0.428 564 V N 1.787 121.642 119.914 -0.099 0.000 2.498 564 V HA 0.274 4.394 4.120 -0.000 0.000 0.279 564 V C 0.295 176.365 176.094 -0.040 0.000 1.048 564 V CA -0.284 61.966 62.300 -0.084 0.000 0.967 564 V CB 1.058 32.827 31.823 -0.089 0.000 0.988 564 V HN 0.907 nan 8.190 nan 0.000 0.473 565 T N 3.255 117.799 114.554 -0.018 0.000 2.929 565 T HA 0.729 5.079 4.350 -0.000 0.000 0.284 565 T C -0.427 174.310 174.700 0.061 0.000 1.014 565 T CA -0.881 61.234 62.100 0.025 0.000 1.051 565 T CB 1.717 70.607 68.868 0.036 0.000 1.028 565 T HN 0.705 nan 8.240 nan 0.000 0.485 566 R N 0.996 121.556 120.500 0.099 0.000 2.533 566 R HA 0.537 4.877 4.340 -0.000 0.000 0.288 566 R C -1.579 174.856 176.300 0.225 0.000 1.039 566 R CA -0.722 55.481 56.100 0.173 0.000 0.909 566 R CB 1.452 31.838 30.300 0.144 0.000 1.195 566 R HN 0.795 nan 8.270 nan 0.000 0.438 567 K N 4.596 125.158 120.400 0.270 0.000 2.482 567 K HA 0.294 4.614 4.320 -0.000 0.000 0.251 567 K C -1.551 175.143 176.600 0.157 0.000 0.936 567 K CA -0.890 55.516 56.287 0.198 0.000 0.791 567 K CB 1.590 34.166 32.500 0.128 0.000 1.213 567 K HN 0.435 nan 8.250 nan 0.000 0.428 568 L N 5.797 127.000 121.223 -0.033 0.000 2.281 568 L HA 0.326 4.666 4.340 -0.000 0.000 0.285 568 L C -1.112 175.639 176.870 -0.199 0.000 1.074 568 L CA -0.010 54.579 54.840 -0.419 0.000 0.817 568 L CB 0.495 42.190 42.059 -0.606 0.000 1.168 568 L HN 0.527 nan 8.230 nan 0.000 0.434 569 L N 6.105 127.219 121.223 -0.182 0.000 2.261 569 L HA 0.317 4.657 4.340 -0.000 0.000 0.289 569 L C 0.889 177.697 176.870 -0.105 0.000 1.059 569 L CA -0.055 54.733 54.840 -0.085 0.000 0.816 569 L CB 0.531 42.580 42.059 -0.016 0.000 1.191 569 L HN 0.720 nan 8.230 nan 0.000 0.431 570 E N 2.542 122.694 120.200 -0.080 0.000 2.276 570 E HA 0.149 4.499 4.350 -0.000 0.000 0.193 570 E C 0.086 176.644 176.600 -0.069 0.000 0.983 570 E CA 0.514 56.871 56.400 -0.071 0.000 0.861 570 E CB 0.452 30.125 29.700 -0.045 0.000 0.817 570 E HN 0.511 nan 8.360 nan 0.000 0.485 571 M N 0.221 119.783 119.600 -0.063 0.000 2.528 571 M HA 0.236 4.716 4.480 -0.000 0.000 0.321 571 M C 0.709 176.967 176.300 -0.070 0.000 1.153 571 M CA -0.197 55.066 55.300 -0.062 0.000 0.951 571 M CB 1.528 34.097 32.600 -0.053 0.000 1.705 571 M HN -0.109 nan 8.290 nan 0.000 0.451 572 E N 0.841 121.001 120.200 -0.067 0.000 2.097 572 E HA -0.250 4.100 4.350 -0.000 0.000 0.196 572 E C 1.101 177.642 176.600 -0.099 0.000 1.000 572 E CA 1.864 58.223 56.400 -0.069 0.000 0.804 572 E CB 0.208 29.869 29.700 -0.065 0.000 0.740 572 E HN 0.626 nan 8.360 nan 0.000 0.454 573 E N 0.629 120.772 120.200 -0.095 0.000 2.160 573 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 573 E C 1.879 178.385 176.600 -0.157 0.000 0.991 573 E CA 1.007 57.344 56.400 -0.104 0.000 0.810 573 E CB -0.008 29.651 29.700 -0.069 0.000 0.742 573 E HN 0.273 nan 8.360 nan 0.000 0.466 574 Q N -1.050 118.664 119.800 -0.143 0.000 2.291 574 Q HA 0.022 4.362 4.340 -0.000 0.000 0.205 574 Q C 1.076 176.882 176.000 -0.324 0.000 0.970 574 Q CA 1.088 56.788 55.803 -0.171 0.000 0.876 574 Q CB 0.205 28.893 28.738 -0.084 0.000 0.935 574 Q HN 0.216 nan 8.270 nan 0.000 0.455 575 A N -0.169 122.473 122.820 -0.297 0.000 2.535 575 A HA 0.524 4.844 4.320 -0.000 0.000 0.273 575 A C 0.193 177.558 177.584 -0.365 0.000 1.267 575 A CA -0.180 51.679 52.037 -0.296 0.000 0.940 575 A CB 0.496 19.501 19.000 0.008 0.000 1.101 575 A HN 0.166 nan 8.150 nan 0.000 0.521 576 A N 0.288 122.837 122.820 -0.453 0.000 2.249 576 A HA 0.711 5.030 4.320 -0.000 0.000 0.314 576 A C -0.976 176.458 177.584 -0.250 0.000 1.290 576 A CA -0.246 51.677 52.037 -0.191 0.000 0.893 576 A CB -0.219 18.734 19.000 -0.078 0.000 1.165 576 A HN 0.293 nan 8.150 nan 0.000 0.530 577 F N 2.935 123.067 119.950 0.304 0.000 2.427 577 F HA 0.414 4.941 4.527 -0.000 0.000 0.348 577 F C 0.225 176.182 175.800 0.261 0.000 1.125 577 F CA -0.496 57.644 58.000 0.234 0.000 0.989 577 F CB 1.437 40.532 39.000 0.160 0.000 1.165 577 F HN 0.382 nan 8.300 nan 0.000 0.442 578 L N 3.263 124.651 121.223 0.275 0.000 2.452 578 L HA 0.275 4.615 4.340 -0.000 0.000 0.267 578 L C 0.173 177.108 176.870 0.110 0.000 1.188 578 L CA -0.799 54.081 54.840 0.068 0.000 0.821 578 L CB 0.632 42.663 42.059 -0.046 0.000 1.102 578 L HN 0.286 nan 8.230 nan 0.000 0.470 579 V N 2.065 122.007 119.914 0.048 0.000 2.694 579 V HA 0.094 4.214 4.120 -0.000 0.000 0.306 579 V C 1.206 177.333 176.094 0.055 0.000 1.054 579 V CA 1.538 63.879 62.300 0.069 0.000 1.161 579 V CB 0.613 32.462 31.823 0.044 0.000 0.916 579 V HN 1.109 nan 8.190 nan 0.000 0.490 580 G N 3.576 112.416 108.800 0.067 0.000 2.179 580 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.260 580 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.260 580 G C 0.366 175.302 174.900 0.060 0.000 0.977 580 G CA 0.495 45.629 45.100 0.056 0.000 0.641 580 G HN 1.335 nan 8.290 nan 0.000 0.533 581 S N -0.329 115.420 115.700 0.081 0.000 2.745 581 S HA 0.854 5.324 4.470 -0.000 0.000 0.292 581 S C 0.380 175.033 174.600 0.088 0.000 1.133 581 S CA 0.469 58.726 58.200 0.095 0.000 0.998 581 S CB 2.052 65.332 63.200 0.132 0.000 1.087 581 S HN 1.875 nan 8.310 nan 0.000 0.551 582 A N 1.684 124.555 122.820 0.085 0.000 2.328 582 A HA 0.606 4.926 4.320 -0.000 0.000 0.284 582 A C 0.615 178.205 177.584 0.010 0.000 1.160 582 A CA -0.250 51.813 52.037 0.044 0.000 0.818 582 A CB -0.308 18.721 19.000 0.048 0.000 1.087 582 A HN 1.201 nan 8.150 nan 0.000 0.504 583 T N 1.047 115.528 114.554 -0.122 0.000 2.888 583 T HA 0.722 5.072 4.350 -0.000 0.000 0.284 583 T C -2.621 171.930 174.700 -0.248 0.000 1.017 583 T CA -1.919 59.944 62.100 -0.395 0.000 1.022 583 T CB 1.204 69.705 68.868 -0.613 0.000 1.013 583 T HN 0.469 nan 8.240 nan 0.000 0.465 584 P HA 0.185 nan 4.420 nan 0.000 0.266 584 P C 0.594 177.855 177.300 -0.064 0.000 1.195 584 P CA -0.307 62.749 63.100 -0.073 0.000 0.768 584 P CB 0.790 32.485 31.700 -0.008 0.000 0.838 585 R N 1.019 121.527 120.500 0.013 0.000 2.152 585 R HA -0.076 4.264 4.340 -0.000 0.000 0.232 585 R C 0.126 176.386 176.300 -0.066 0.000 1.117 585 R CA 1.319 57.417 56.100 -0.002 0.000 0.981 585 R CB -0.234 30.118 30.300 0.086 0.000 0.870 585 R HN 0.521 nan 8.270 nan 0.000 0.451 586 Y N 0.058 120.323 120.300 -0.058 0.000 2.376 586 Y HA 0.334 4.884 4.550 -0.000 0.000 0.326 586 Y C -0.719 175.198 175.900 0.028 0.000 0.970 586 Y CA -0.925 57.137 58.100 -0.063 0.000 1.248 586 Y CB 1.435 39.808 38.460 -0.145 0.000 1.117 586 Y HN -0.107 nan 8.280 nan 0.000 0.476 587 L N 6.617 127.911 121.223 0.117 0.000 2.333 587 L HA 0.655 4.995 4.340 -0.000 0.000 0.280 587 L C -1.492 175.526 176.870 0.247 0.000 1.004 587 L CA -0.697 54.220 54.840 0.129 0.000 0.820 587 L CB 0.690 42.759 42.059 0.017 0.000 1.247 587 L HN 0.543 nan 8.230 nan 0.000 0.416 588 Y N 3.414 123.809 120.300 0.158 0.000 2.513 588 Y HA 0.660 5.210 4.550 -0.000 0.000 0.340 588 Y C -1.714 174.361 175.900 0.293 0.000 1.055 588 Y CA -1.534 56.687 58.100 0.201 0.000 1.020 588 Y CB 0.937 39.507 38.460 0.184 0.000 1.301 588 Y HN 0.299 nan 8.280 nan 0.000 0.453 589 L N 3.821 125.288 121.223 0.407 0.000 2.326 589 L HA 0.862 5.202 4.340 -0.000 0.000 0.278 589 L C 0.033 177.229 176.870 0.543 0.000 1.092 589 L CA -0.854 54.204 54.840 0.362 0.000 0.810 589 L CB 1.265 43.477 42.059 0.257 0.000 1.153 589 L HN 0.950 nan 8.230 nan 0.000 0.439 590 A N 2.289 125.455 122.820 0.576 0.000 2.498 590 A HA 0.615 4.935 4.320 -0.000 0.000 0.298 590 A C -0.421 177.532 177.584 0.615 0.000 1.075 590 A CA -0.460 51.974 52.037 0.661 0.000 0.714 590 A CB 2.006 21.512 19.000 0.844 0.000 1.299 590 A HN 0.612 nan 8.150 nan 0.000 0.407 591 S N -0.083 115.930 115.700 0.522 0.000 2.614 591 S HA 0.117 4.586 4.470 -0.000 0.000 0.265 591 S C 1.262 176.080 174.600 0.364 0.000 1.303 591 S CA 0.088 58.592 58.200 0.506 0.000 1.000 591 S CB 0.563 64.012 63.200 0.415 0.000 0.935 591 S HN 0.812 nan 8.310 nan 0.000 0.551 592 N N 1.085 119.953 118.700 0.280 0.000 2.149 592 N HA -0.094 4.646 4.740 -0.000 0.000 0.188 592 N C -0.068 175.336 175.510 -0.176 0.000 1.019 592 N CA 1.486 54.407 53.050 -0.216 0.000 0.857 592 N CB -0.542 37.905 38.487 -0.067 0.000 0.997 592 N HN 0.691 nan 8.380 nan 0.000 0.426 593 H N -1.008 118.084 119.070 0.035 0.000 2.562 593 H HA 0.350 4.906 4.556 -0.000 0.000 0.352 593 H C 0.104 175.422 175.328 -0.018 0.000 1.125 593 H CA -0.200 55.847 56.048 -0.002 0.000 1.379 593 H CB 1.146 30.909 29.762 0.001 0.000 1.464 593 H HN -0.064 nan 8.280 nan 0.000 0.563 594 S N 1.380 117.111 115.700 0.052 0.000 2.672 594 S HA 0.160 4.630 4.470 -0.000 0.000 0.276 594 S C 0.363 174.936 174.600 -0.046 0.000 1.207 594 S CA -1.042 57.154 58.200 -0.006 0.000 1.002 594 S CB 0.566 63.732 63.200 -0.057 0.000 0.998 594 S HN 0.801 nan 8.310 nan 0.000 0.542 595 N N 1.008 119.668 118.700 -0.067 0.000 2.418 595 N HA 0.161 4.901 4.740 -0.000 0.000 0.283 595 N C 0.661 176.035 175.510 -0.227 0.000 1.267 595 N CA -0.574 52.389 53.050 -0.145 0.000 0.975 595 N CB 0.061 38.484 38.487 -0.107 0.000 1.167 595 N HN 0.564 nan 8.380 nan 0.000 0.581 596 K N -0.690 119.448 120.400 -0.437 0.000 2.228 596 K HA -0.108 4.212 4.320 -0.000 0.000 0.205 596 K C 0.503 176.708 176.600 -0.658 0.000 1.045 596 K CA 1.467 57.332 56.287 -0.703 0.000 0.931 596 K CB -0.189 31.623 32.500 -1.145 0.000 0.727 596 K HN 0.683 nan 8.250 nan 0.000 0.458 597 W N -0.337 120.941 121.300 -0.038 0.000 3.330 597 W HA 0.280 4.940 4.660 -0.000 0.000 0.348 597 W C 0.973 177.411 176.519 -0.136 0.000 1.205 597 W CA -0.178 57.142 57.345 -0.040 0.000 1.841 597 W CB 0.650 30.126 29.460 0.026 0.000 1.084 597 W HN 0.267 nan 8.180 nan 0.000 0.665 598 G N 0.259 109.039 108.800 -0.035 0.000 2.157 598 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.248 598 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.248 598 G C -0.042 174.665 174.900 -0.321 0.000 0.979 598 G CA -0.295 44.691 45.100 -0.189 0.000 0.650 598 G HN 0.413 nan 8.290 nan 0.000 0.529 599 H N 0.912 119.962 119.070 -0.033 0.000 2.457 599 H HA 0.373 4.929 4.556 -0.000 0.000 0.335 599 H C -2.334 172.954 175.328 -0.068 0.000 1.115 599 H CA -1.650 54.349 56.048 -0.081 0.000 1.219 599 H CB 1.862 31.556 29.762 -0.112 0.000 1.471 599 H HN 0.109 nan 8.280 nan 0.000 0.491 600 P HA 0.003 nan 4.420 nan 0.000 0.267 600 P C -0.103 177.291 177.300 0.156 0.000 1.205 600 P CA -0.083 63.066 63.100 0.083 0.000 0.765 600 P CB 0.658 32.410 31.700 0.087 0.000 0.828 601 R N 1.908 122.507 120.500 0.164 0.000 2.347 601 R HA 0.655 4.994 4.340 -0.000 0.000 0.304 601 R C 0.446 176.981 176.300 0.392 0.000 1.072 601 R CA -0.559 55.650 56.100 0.181 0.000 0.980 601 R CB 0.158 30.449 30.300 -0.015 0.000 0.986 601 R HN 0.502 nan 8.270 nan 0.000 0.448 602 G N 1.956 110.995 108.800 0.399 0.000 2.574 602 G HA2 0.480 4.440 3.960 -0.000 0.000 0.299 602 G HA3 0.480 4.440 3.960 -0.000 0.000 0.299 602 G C -1.891 173.241 174.900 0.386 0.000 1.298 602 G CA -0.678 44.725 45.100 0.506 0.000 0.952 602 G HN 0.467 nan 8.290 nan 0.000 0.477 603 Y N 0.308 120.779 120.300 0.286 0.000 2.341 603 Y HA 0.513 5.063 4.550 -0.000 0.000 0.338 603 Y C 0.652 176.684 175.900 0.220 0.000 0.965 603 Y CA -0.736 57.458 58.100 0.158 0.000 1.108 603 Y CB 1.917 40.400 38.460 0.038 0.000 1.180 603 Y HN 0.518 nan 8.280 nan 0.000 0.458 604 R N 5.048 125.653 120.500 0.175 0.000 2.297 604 R HA 0.534 4.874 4.340 -0.000 0.000 0.308 604 R C -1.269 175.115 176.300 0.140 0.000 1.029 604 R CA -0.360 55.828 56.100 0.147 0.000 0.929 604 R CB 0.478 30.761 30.300 -0.028 0.000 1.046 604 R HN 0.749 nan 8.270 nan 0.000 0.461 605 I N 4.484 125.126 120.570 0.120 0.000 2.304 605 I HA 0.158 4.328 4.170 -0.000 0.000 0.291 605 I C -0.064 176.074 176.117 0.034 0.000 1.018 605 I CA -0.226 61.124 61.300 0.085 0.000 1.260 605 I CB 1.525 39.537 38.000 0.020 0.000 1.390 605 I HN 0.542 nan 8.210 nan 0.000 0.475 606 Q N 7.930 127.782 119.800 0.086 0.000 2.333 606 Q HA 0.550 4.890 4.340 -0.000 0.000 0.268 606 Q C -1.358 174.712 176.000 0.117 0.000 1.007 606 Q CA -0.766 55.060 55.803 0.040 0.000 0.810 606 Q CB 1.739 30.476 28.738 -0.002 0.000 1.264 606 Q HN 0.622 nan 8.270 nan 0.000 0.452 607 M N 4.265 123.887 119.600 0.037 0.000 2.264 607 M HA 0.359 4.839 4.480 -0.000 0.000 0.352 607 M C -1.025 175.268 176.300 -0.013 0.000 1.173 607 M CA -0.661 54.667 55.300 0.048 0.000 1.075 607 M CB 1.194 33.799 32.600 0.009 0.000 1.621 607 M HN 0.506 nan 8.290 nan 0.000 0.457 608 L N 2.460 123.667 121.223 -0.026 0.000 2.337 608 L HA 0.545 4.884 4.340 -0.000 0.000 0.269 608 L C -0.216 176.494 176.870 -0.267 0.000 1.018 608 L CA -0.036 54.704 54.840 -0.166 0.000 0.876 608 L CB 1.151 43.146 42.059 -0.108 0.000 1.236 608 L HN 0.671 nan 8.230 nan 0.000 0.436 609 S N 1.819 117.232 115.700 -0.478 0.000 2.537 609 S HA 0.692 5.162 4.470 -0.000 0.000 0.271 609 S C -1.009 173.216 174.600 -0.624 0.000 1.148 609 S CA -0.427 57.551 58.200 -0.370 0.000 0.868 609 S CB 0.841 64.024 63.200 -0.027 0.000 1.115 609 S HN 0.327 nan 8.310 nan 0.000 0.461 610 F N 2.170 122.193 119.950 0.122 0.000 2.761 610 F HA 0.517 5.044 4.527 -0.000 0.000 0.367 610 F C 0.865 176.754 175.800 0.149 0.000 1.386 610 F CA -0.659 57.407 58.000 0.109 0.000 1.177 610 F CB 0.252 39.300 39.000 0.080 0.000 1.092 610 F HN 0.658 nan 8.300 nan 0.000 0.517 611 A N 0.913 123.881 122.820 0.246 0.000 2.587 611 A HA 0.369 4.689 4.320 -0.000 0.000 0.235 611 A C 1.145 178.829 177.584 0.167 0.000 1.044 611 A CA 0.579 52.746 52.037 0.217 0.000 0.754 611 A CB -0.238 18.866 19.000 0.174 0.000 0.968 611 A HN 0.618 nan 8.150 nan 0.000 0.509 612 G N 1.249 110.124 108.800 0.125 0.000 2.491 612 G HA2 0.376 4.336 3.960 -0.000 0.000 0.242 612 G HA3 0.376 4.336 3.960 -0.000 0.000 0.242 612 G C 0.215 175.135 174.900 0.034 0.000 1.266 612 G CA -0.119 45.016 45.100 0.059 0.000 0.844 612 G HN 0.971 nan 8.290 nan 0.000 0.571 613 E N 2.082 122.293 120.200 0.019 0.000 2.558 613 E HA 0.022 4.372 4.350 -0.000 0.000 0.255 613 E C -1.554 175.034 176.600 -0.020 0.000 0.968 613 E CA -1.016 55.385 56.400 0.002 0.000 0.939 613 E CB 0.513 30.212 29.700 -0.001 0.000 0.921 613 E HN 0.229 nan 8.360 nan 0.000 0.477 614 P HA 0.051 nan 4.420 nan 0.000 0.276 614 P C -0.520 176.761 177.300 -0.033 0.000 1.252 614 P CA -0.584 62.486 63.100 -0.051 0.000 0.802 614 P CB 0.561 32.216 31.700 -0.075 0.000 1.035 615 L N 3.044 124.263 121.223 -0.006 0.000 2.559 615 L HA 0.127 4.467 4.340 -0.000 0.000 0.274 615 L C -2.018 174.845 176.870 -0.012 0.000 1.205 615 L CA -0.985 53.870 54.840 0.026 0.000 0.907 615 L CB -1.093 41.047 42.059 0.137 0.000 1.153 615 L HN 0.299 nan 8.230 nan 0.000 0.490 616 P HA -0.015 nan 4.420 nan 0.000 0.266 616 P C 0.076 177.349 177.300 -0.046 0.000 1.193 616 P CA 0.044 63.126 63.100 -0.029 0.000 0.770 616 P CB 0.433 32.124 31.700 -0.015 0.000 0.836 617 Q N 1.152 120.918 119.800 -0.057 0.000 2.170 617 Q HA -0.193 4.147 4.340 -0.000 0.000 0.203 617 Q C 1.409 177.377 176.000 -0.054 0.000 0.976 617 Q CA 1.480 57.241 55.803 -0.070 0.000 0.858 617 Q CB -0.359 28.338 28.738 -0.068 0.000 0.907 617 Q HN 0.526 nan 8.270 nan 0.000 0.433 618 N N 0.259 118.940 118.700 -0.033 0.000 2.364 618 N HA -0.095 4.645 4.740 -0.000 0.000 0.183 618 N C 0.384 175.889 175.510 -0.007 0.000 1.022 618 N CA 0.156 53.195 53.050 -0.018 0.000 0.883 618 N CB 0.111 38.593 38.487 -0.009 0.000 0.965 618 N HN -0.006 nan 8.380 nan 0.000 0.438 619 S N 0.143 115.835 115.700 -0.013 0.000 2.537 619 S HA 0.014 4.484 4.470 -0.000 0.000 0.286 619 S C 1.295 175.889 174.600 -0.010 0.000 1.299 619 S CA -0.453 57.749 58.200 0.004 0.000 1.067 619 S CB 0.691 63.887 63.200 -0.006 0.000 0.864 619 S HN 0.331 nan 8.310 nan 0.000 0.494 620 S N 4.647 120.389 115.700 0.070 0.000 2.561 620 S HA -0.069 4.401 4.470 -0.000 0.000 0.225 620 S C 1.452 176.084 174.600 0.054 0.000 0.977 620 S CA 0.688 58.959 58.200 0.117 0.000 0.926 620 S CB -0.564 62.773 63.200 0.227 0.000 0.769 620 S HN 0.945 nan 8.310 nan 0.000 0.533 621 M N -0.779 118.732 119.600 -0.148 0.000 2.371 621 M HA 0.591 5.071 4.480 -0.000 0.000 0.246 621 M C 1.880 177.758 176.300 -0.704 0.000 1.103 621 M CA 0.417 55.402 55.300 -0.526 0.000 1.010 621 M CB -0.123 32.067 32.600 -0.684 0.000 1.457 621 M HN 0.185 nan 8.290 nan 0.000 0.486 622 A N 2.224 124.727 122.820 -0.527 0.000 1.908 622 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 622 A C 2.182 179.315 177.584 -0.752 0.000 1.181 622 A CA 1.468 53.106 52.037 -0.666 0.000 0.627 622 A CB -0.593 18.226 19.000 -0.303 0.000 0.818 622 A HN 0.576 nan 8.150 nan 0.000 0.445 623 R N -0.383 119.839 120.500 -0.463 0.000 2.293 623 R HA -0.101 4.239 4.340 -0.000 0.000 0.219 623 R C 1.899 177.983 176.300 -0.361 0.000 1.091 623 R CA 0.913 56.818 56.100 -0.324 0.000 1.004 623 R CB -0.922 29.267 30.300 -0.184 0.000 0.865 623 R HN 0.536 nan 8.270 nan 0.000 0.469 624 G N 0.574 109.018 108.800 -0.594 0.000 2.848 624 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.208 624 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.208 624 G C 0.359 175.107 174.900 -0.252 0.000 1.152 624 G CA 0.033 44.879 45.100 -0.424 0.000 0.789 624 G HN 0.382 nan 8.290 nan 0.000 0.531 625 F N -1.250 118.581 119.950 -0.198 0.000 2.457 625 F HA 0.280 4.807 4.527 -0.000 0.000 0.384 625 F C 1.062 176.454 175.800 -0.680 0.000 1.464 625 F CA -0.819 56.939 58.000 -0.402 0.000 1.060 625 F CB -0.573 38.155 39.000 -0.454 0.000 1.699 625 F HN -0.026 nan 8.300 nan 0.000 0.497 626 S N -0.210 115.327 115.700 -0.272 0.000 2.507 626 S HA -0.156 4.314 4.470 -0.000 0.000 0.235 626 S C 1.485 176.098 174.600 0.022 0.000 0.988 626 S CA 0.644 58.756 58.200 -0.147 0.000 0.944 626 S CB -0.831 62.349 63.200 -0.034 0.000 0.762 626 S HN 0.767 nan 8.310 nan 0.000 0.526 627 W N 1.601 122.887 121.300 -0.023 0.000 2.538 627 W HA 0.143 4.803 4.660 -0.000 0.000 0.254 627 W C 1.282 177.754 176.519 -0.077 0.000 1.249 627 W CA 0.604 57.772 57.345 -0.295 0.000 1.253 627 W CB -0.602 28.003 29.460 -1.424 0.000 1.130 627 W HN 0.437 nan 8.180 nan 0.000 0.618 628 E N 1.434 121.314 120.200 -0.533 0.000 2.274 628 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 628 E C 1.939 178.471 176.600 -0.112 0.000 0.996 628 E CA 0.563 56.709 56.400 -0.424 0.000 0.840 628 E CB -0.011 29.335 29.700 -0.589 0.000 0.772 628 E HN 0.346 nan 8.360 nan 0.000 0.491 629 R N -0.653 119.774 120.500 -0.122 0.000 2.275 629 R HA 0.013 4.353 4.340 -0.000 0.000 0.199 629 R C -0.062 176.044 176.300 -0.324 0.000 0.989 629 R CA 0.354 56.293 56.100 -0.268 0.000 1.016 629 R CB 0.175 30.211 30.300 -0.441 0.000 0.918 629 R HN 0.089 nan 8.270 nan 0.000 0.473 630 Y N 0.176 120.570 120.300 0.157 0.000 2.377 630 Y HA 0.175 4.725 4.550 -0.000 0.000 0.339 630 Y C 1.245 177.300 175.900 0.259 0.000 1.011 630 Y CA -0.799 57.439 58.100 0.230 0.000 1.093 630 Y CB 1.688 40.341 38.460 0.321 0.000 1.201 630 Y HN -0.196 nan 8.280 nan 0.000 0.455 631 Q N 1.516 121.549 119.800 0.389 0.000 2.137 631 Q HA 0.059 4.399 4.340 -0.000 0.000 0.198 631 Q C -0.594 175.606 176.000 0.333 0.000 0.960 631 Q CA 0.850 56.839 55.803 0.311 0.000 0.847 631 Q CB 0.494 29.363 28.738 0.219 0.000 0.915 631 Q HN 0.539 nan 8.270 nan 0.000 0.448 632 L N -1.397 120.080 121.223 0.423 0.000 2.545 632 L HA 0.670 5.009 4.340 -0.000 0.000 0.258 632 L C -2.253 174.881 176.870 0.440 0.000 0.942 632 L CA -0.539 54.529 54.840 0.381 0.000 0.855 632 L CB 2.176 44.418 42.059 0.306 0.000 1.374 632 L HN -0.115 nan 8.230 nan 0.000 0.411 633 A N 3.558 126.615 122.820 0.394 0.000 2.488 633 A HA 0.814 5.134 4.320 -0.000 0.000 0.298 633 A C -1.835 175.984 177.584 0.391 0.000 1.044 633 A CA -0.540 51.685 52.037 0.314 0.000 0.693 633 A CB 1.945 21.081 19.000 0.227 0.000 1.272 633 A HN 0.590 nan 8.150 nan 0.000 0.402 634 V N 2.513 122.578 119.914 0.252 0.000 2.384 634 V HA 0.731 4.851 4.120 -0.000 0.000 0.287 634 V C 0.453 176.660 176.094 0.188 0.000 1.020 634 V CA 0.133 62.567 62.300 0.223 0.000 0.850 634 V CB 1.272 33.174 31.823 0.132 0.000 0.987 634 V HN 1.193 nan 8.190 nan 0.000 0.436 635 T N 1.586 116.305 114.554 0.275 0.000 2.888 635 T HA 0.560 4.910 4.350 -0.000 0.000 0.288 635 T C -0.488 174.287 174.700 0.124 0.000 1.063 635 T CA -0.939 61.280 62.100 0.199 0.000 1.010 635 T CB 1.638 70.688 68.868 0.303 0.000 1.214 635 T HN 0.511 nan 8.240 nan 0.000 0.533 636 Q N 0.749 120.581 119.800 0.054 0.000 2.337 636 Q HA 0.246 4.586 4.340 -0.000 0.000 0.270 636 Q C 0.016 176.039 176.000 0.039 0.000 1.002 636 Q CA -0.419 55.388 55.803 0.007 0.000 0.888 636 Q CB 0.777 29.494 28.738 -0.034 0.000 1.222 636 Q HN 0.539 nan 8.270 nan 0.000 0.400 637 R N 2.676 123.181 120.500 0.010 0.000 2.421 637 R HA 0.051 4.391 4.340 -0.000 0.000 0.305 637 R C -0.921 175.365 176.300 -0.022 0.000 1.039 637 R CA 0.611 56.715 56.100 0.006 0.000 1.003 637 R CB 0.426 30.705 30.300 -0.035 0.000 0.959 637 R HN 0.364 nan 8.270 nan 0.000 0.427 638 K N 3.780 124.165 120.400 -0.026 0.000 2.426 638 K HA 0.075 4.395 4.320 -0.000 0.000 0.254 638 K C -0.073 176.505 176.600 -0.037 0.000 0.936 638 K CA -0.826 55.427 56.287 -0.057 0.000 0.801 638 K CB 1.931 34.365 32.500 -0.110 0.000 1.139 638 K HN 0.544 nan 8.250 nan 0.000 0.424 639 E N 1.976 122.161 120.200 -0.024 0.000 2.147 639 E HA -0.233 4.117 4.350 -0.000 0.000 0.199 639 E C 0.519 177.122 176.600 0.005 0.000 1.005 639 E CA 1.930 58.332 56.400 0.003 0.000 0.810 639 E CB 0.246 29.946 29.700 -0.000 0.000 0.736 639 E HN 0.516 nan 8.360 nan 0.000 0.460 640 E N 0.024 120.206 120.200 -0.029 0.000 2.511 640 E HA 0.002 4.352 4.350 -0.000 0.000 0.196 640 E C -0.037 176.521 176.600 -0.069 0.000 1.066 640 E CA 0.460 56.838 56.400 -0.036 0.000 0.871 640 E CB 0.168 29.839 29.700 -0.048 0.000 0.863 640 E HN 0.284 nan 8.360 nan 0.000 0.520 641 E N 1.218 121.341 120.200 -0.129 0.000 3.312 641 E HA 0.092 4.442 4.350 -0.000 0.000 0.215 641 E C -1.787 174.841 176.600 0.048 0.000 1.160 641 E CA -1.241 54.994 56.400 -0.275 0.000 1.267 641 E CB 0.708 29.873 29.700 -0.891 0.000 1.361 641 E HN 0.117 nan 8.360 nan 0.000 0.433 642 P HA -0.058 nan 4.420 nan 0.000 0.225 642 P C -0.157 177.373 177.300 0.384 0.000 1.156 642 P CA 0.649 63.900 63.100 0.251 0.000 0.787 642 P CB 0.467 32.294 31.700 0.212 0.000 0.802 643 S N -1.185 114.795 115.700 0.467 0.000 2.541 643 S HA 0.282 4.752 4.470 -0.000 0.000 0.271 643 S C 0.581 175.506 174.600 0.543 0.000 1.133 643 S CA -0.418 58.082 58.200 0.500 0.000 0.876 643 S CB 1.537 64.921 63.200 0.307 0.000 1.105 643 S HN 0.042 nan 8.310 nan 0.000 0.470 644 S N 0.100 116.037 115.700 0.394 0.000 2.561 644 S HA 0.229 4.699 4.470 -0.000 0.000 0.225 644 S C 0.730 175.326 174.600 -0.006 0.000 0.977 644 S CA 0.483 58.688 58.200 0.009 0.000 0.926 644 S CB -0.068 62.961 63.200 -0.285 0.000 0.769 644 S HN 0.666 nan 8.310 nan 0.000 0.533 645 S N -0.386 115.365 115.700 0.085 0.000 2.840 645 S HA 0.761 5.231 4.470 -0.000 0.000 0.307 645 S C -1.428 173.251 174.600 0.131 0.000 1.180 645 S CA -0.289 57.971 58.200 0.101 0.000 0.846 645 S CB 1.683 64.914 63.200 0.052 0.000 1.233 645 S HN 0.407 nan 8.310 nan 0.000 0.548 646 S N -0.125 115.636 115.700 0.102 0.000 2.533 646 S HA 0.381 4.851 4.470 -0.000 0.000 0.271 646 S C 0.465 175.019 174.600 -0.078 0.000 1.143 646 S CA 0.013 58.244 58.200 0.052 0.000 0.891 646 S CB 1.226 64.514 63.200 0.146 0.000 1.105 646 S HN 1.148 nan 8.310 nan 0.000 0.468 647 V N 4.643 124.364 119.914 -0.322 0.000 2.660 647 V HA -0.048 4.072 4.120 -0.000 0.000 0.257 647 V C 1.071 176.864 176.094 -0.503 0.000 1.088 647 V CA 2.166 64.137 62.300 -0.549 0.000 1.106 647 V CB -0.888 30.215 31.823 -1.200 0.000 0.686 647 V HN 0.820 nan 8.190 nan 0.000 0.481 648 F N -0.482 119.392 119.950 -0.127 0.000 2.754 648 F HA 0.178 4.705 4.527 -0.000 0.000 0.297 648 F C 2.011 177.752 175.800 -0.098 0.000 1.122 648 F CA 0.429 58.341 58.000 -0.147 0.000 1.400 648 F CB -0.296 38.598 39.000 -0.178 0.000 1.117 648 F HN 0.183 nan 8.300 nan 0.000 0.587 649 N N 0.608 119.362 118.700 0.090 0.000 2.166 649 N HA -0.204 4.536 4.740 -0.000 0.000 0.186 649 N C 1.840 177.372 175.510 0.038 0.000 1.019 649 N CA 0.994 54.085 53.050 0.068 0.000 0.856 649 N CB -0.343 38.204 38.487 0.100 0.000 0.993 649 N HN 0.214 nan 8.380 nan 0.000 0.426 650 Q N 0.870 120.691 119.800 0.036 0.000 2.061 650 Q HA -0.046 4.294 4.340 -0.000 0.000 0.204 650 Q C 0.925 176.924 176.000 -0.002 0.000 0.984 650 Q CA 1.659 57.480 55.803 0.031 0.000 0.846 650 Q CB -0.278 28.459 28.738 -0.002 0.000 0.902 650 Q HN 0.246 nan 8.270 nan 0.000 0.421 651 N N 0.089 118.789 118.700 -0.000 0.000 2.398 651 N HA 0.017 4.757 4.740 -0.000 0.000 0.188 651 N C -0.747 174.849 175.510 0.143 0.000 1.122 651 N CA 0.647 53.723 53.050 0.043 0.000 0.866 651 N CB 0.477 38.959 38.487 -0.008 0.000 0.970 651 N HN 0.223 nan 8.380 nan 0.000 0.462 652 D N -0.835 119.624 120.400 0.097 0.000 2.978 652 D HA 0.145 4.785 4.640 -0.000 0.000 0.268 652 D C -2.081 174.221 176.300 0.002 0.000 1.252 652 D CA -1.334 52.787 54.000 0.201 0.000 0.771 652 D CB 1.076 42.034 40.800 0.264 0.000 1.361 652 D HN -0.030 nan 8.370 nan 0.000 0.558 653 P HA -0.061 nan 4.420 nan 0.000 0.221 653 P C 1.545 178.632 177.300 -0.355 0.000 1.150 653 P CA 0.535 63.389 63.100 -0.410 0.000 0.800 653 P CB 0.031 31.352 31.700 -0.631 0.000 0.787 654 W N 0.670 121.953 121.300 -0.029 0.000 2.421 654 W HA 0.144 4.804 4.660 -0.000 0.000 0.270 654 W C 0.809 177.309 176.519 -0.032 0.000 1.233 654 W CA 0.678 57.997 57.345 -0.043 0.000 1.226 654 W CB -0.601 28.840 29.460 -0.030 0.000 1.121 654 W HN 0.003 nan 8.180 nan 0.000 0.579 655 A N 1.324 124.260 122.820 0.193 0.000 3.030 655 A HA 0.387 4.707 4.320 -0.000 0.000 0.335 655 A C -2.368 175.250 177.584 0.056 0.000 1.089 655 A CA -1.096 51.010 52.037 0.114 0.000 0.807 655 A CB -0.068 19.016 19.000 0.140 0.000 1.099 655 A HN -0.273 nan 8.150 nan 0.000 0.474 656 P HA 0.105 nan 4.420 nan 0.000 0.269 656 P C 0.694 178.015 177.300 0.035 0.000 1.209 656 P CA 0.413 63.516 63.100 0.005 0.000 0.776 656 P CB 0.947 32.630 31.700 -0.028 0.000 0.876 657 T N 0.217 114.803 114.554 0.052 0.000 2.937 657 T HA 0.073 4.423 4.350 -0.000 0.000 0.260 657 T C 0.812 175.606 174.700 0.157 0.000 1.051 657 T CA 0.774 62.912 62.100 0.063 0.000 1.141 657 T CB 0.115 69.013 68.868 0.051 0.000 0.879 657 T HN 0.209 nan 8.240 nan 0.000 0.459 658 V N 2.197 122.199 119.914 0.147 0.000 2.531 658 V HA 0.463 4.583 4.120 -0.000 0.000 0.301 658 V C -1.291 174.843 176.094 0.068 0.000 1.034 658 V CA -1.141 61.254 62.300 0.160 0.000 0.865 658 V CB 1.972 33.919 31.823 0.207 0.000 0.995 658 V HN 0.169 nan 8.190 nan 0.000 0.424 659 D N 2.971 123.383 120.400 0.020 0.000 2.453 659 D HA 0.250 4.889 4.640 -0.000 0.000 0.238 659 D C 0.461 176.630 176.300 -0.220 0.000 1.088 659 D CA -0.552 53.412 54.000 -0.059 0.000 0.854 659 D CB 1.310 42.084 40.800 -0.043 0.000 1.076 659 D HN 0.337 nan 8.370 nan 0.000 0.533 660 F N 3.184 122.872 119.950 -0.436 0.000 2.126 660 F HA -0.196 4.331 4.527 -0.000 0.000 0.299 660 F C 2.022 177.425 175.800 -0.662 0.000 1.096 660 F CA 1.422 58.914 58.000 -0.846 0.000 1.255 660 F CB -0.190 38.468 39.000 -0.571 0.000 0.997 660 F HN 0.320 nan 8.300 nan 0.000 0.479 661 S N 0.317 115.763 115.700 -0.423 0.000 2.423 661 S HA -0.256 4.213 4.470 -0.000 0.000 0.238 661 S C 1.521 175.938 174.600 -0.306 0.000 1.028 661 S CA 1.503 59.503 58.200 -0.332 0.000 1.000 661 S CB -0.598 62.551 63.200 -0.085 0.000 0.797 661 S HN 0.498 nan 8.310 nan 0.000 0.487 662 D N 0.693 120.961 120.400 -0.221 0.000 2.218 662 D HA -0.057 4.583 4.640 -0.000 0.000 0.204 662 D C 1.399 177.735 176.300 0.059 0.000 0.976 662 D CA 0.759 54.738 54.000 -0.035 0.000 0.853 662 D CB -0.257 40.590 40.800 0.079 0.000 0.939 662 D HN 0.353 nan 8.370 nan 0.000 0.481 663 F N 0.737 120.439 119.950 -0.413 0.000 2.186 663 F HA 0.061 4.588 4.527 -0.000 0.000 0.299 663 F C 1.461 177.042 175.800 -0.365 0.000 1.090 663 F CA -0.125 57.628 58.000 -0.411 0.000 1.307 663 F CB -0.809 37.799 39.000 -0.654 0.000 1.019 663 F HN -0.112 nan 8.300 nan 0.000 0.489 664 I N 2.062 122.468 120.570 -0.273 0.000 2.260 664 I HA 0.080 4.250 4.170 -0.000 0.000 0.297 664 I C -0.180 175.857 176.117 -0.134 0.000 1.143 664 I CA -0.228 60.931 61.300 -0.235 0.000 1.271 664 I CB -0.545 37.240 38.000 -0.357 0.000 1.461 664 I HN 0.108 nan 8.210 nan 0.000 0.530 665 N N 3.234 121.882 118.700 -0.087 0.000 3.184 665 N HA 0.224 4.964 4.740 -0.000 0.000 0.353 665 N C 0.084 175.562 175.510 -0.054 0.000 1.441 665 N CA -0.918 52.096 53.050 -0.061 0.000 0.723 665 N CB 0.063 38.523 38.487 -0.045 0.000 1.547 665 N HN 0.116 nan 8.380 nan 0.000 0.624 666 N N -0.291 118.383 118.700 -0.043 0.000 2.652 666 N HA 0.064 4.804 4.740 -0.000 0.000 0.259 666 N C -1.164 174.321 175.510 -0.042 0.000 1.240 666 N CA 0.041 53.067 53.050 -0.040 0.000 0.951 666 N CB -0.466 38.002 38.487 -0.031 0.000 1.281 666 N HN 0.416 nan 8.380 nan 0.000 0.507 667 E N -0.804 119.367 120.200 -0.048 0.000 2.214 667 E HA 0.120 4.470 4.350 -0.000 0.000 0.274 667 E C -0.366 176.199 176.600 -0.058 0.000 0.977 667 E CA -0.571 55.798 56.400 -0.051 0.000 0.827 667 E CB 1.247 30.916 29.700 -0.051 0.000 1.130 667 E HN 0.058 nan 8.360 nan 0.000 0.394 668 T N 1.513 116.028 114.554 -0.065 0.000 2.916 668 T HA 0.183 4.533 4.350 -0.000 0.000 0.303 668 T C 0.687 175.323 174.700 -0.108 0.000 1.025 668 T CA -0.058 61.992 62.100 -0.082 0.000 1.142 668 T CB 0.046 68.865 68.868 -0.083 0.000 0.947 668 T HN 0.470 nan 8.240 nan 0.000 0.544 669 I N 2.271 122.767 120.570 -0.124 0.000 3.856 669 I HA 0.585 4.755 4.170 -0.000 0.000 0.330 669 I C 0.563 176.519 176.117 -0.268 0.000 1.546 669 I CA -0.869 60.336 61.300 -0.159 0.000 1.132 669 I CB 0.278 38.221 38.000 -0.095 0.000 1.157 669 I HN 0.485 nan 8.210 nan 0.000 0.440 670 A N 1.755 124.395 122.820 -0.300 0.000 2.582 670 A HA 0.689 5.009 4.320 -0.000 0.000 0.336 670 A C 1.057 178.122 177.584 -0.865 0.000 1.445 670 A CA 0.123 51.866 52.037 -0.489 0.000 0.997 670 A CB -0.531 18.434 19.000 -0.058 0.000 1.148 670 A HN 1.024 nan 8.150 nan 0.000 0.514 671 G N 1.621 109.356 108.800 -1.775 0.000 2.270 671 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.224 671 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.224 671 G C -0.242 174.217 174.900 -0.734 0.000 1.079 671 G CA -0.117 43.965 45.100 -1.696 0.000 0.807 671 G HN 0.601 nan 8.290 nan 0.000 0.492 672 K N -0.102 119.960 120.400 -0.563 0.000 2.400 672 K HA 0.467 4.787 4.320 -0.000 0.000 0.246 672 K C -0.717 175.766 176.600 -0.195 0.000 0.995 672 K CA -1.051 55.064 56.287 -0.287 0.000 0.840 672 K CB 1.574 33.945 32.500 -0.215 0.000 1.293 672 K HN 0.141 nan 8.250 nan 0.000 0.445 673 D N 2.087 122.416 120.400 -0.119 0.000 2.382 673 D HA 0.124 4.764 4.640 -0.000 0.000 0.259 673 D C -0.567 175.695 176.300 -0.064 0.000 1.224 673 D CA 0.236 54.191 54.000 -0.075 0.000 0.894 673 D CB 0.123 40.883 40.800 -0.067 0.000 1.127 673 D HN 0.265 nan 8.370 nan 0.000 0.487 674 L N 3.215 124.411 121.223 -0.045 0.000 2.330 674 L HA 0.589 4.929 4.340 -0.000 0.000 0.271 674 L C -0.189 176.659 176.870 -0.036 0.000 1.013 674 L CA -1.294 53.530 54.840 -0.027 0.000 0.816 674 L CB 2.027 44.077 42.059 -0.015 0.000 1.287 674 L HN 0.162 nan 8.230 nan 0.000 0.435 675 V N 1.511 121.400 119.914 -0.043 0.000 2.588 675 V HA 0.816 4.936 4.120 -0.000 0.000 0.304 675 V C -0.366 175.596 176.094 -0.220 0.000 1.042 675 V CA -0.327 61.857 62.300 -0.194 0.000 0.877 675 V CB 1.807 33.429 31.823 -0.335 0.000 0.996 675 V HN 0.860 nan 8.190 nan 0.000 0.425 676 A N 5.953 128.614 122.820 -0.266 0.000 2.304 676 A HA 0.807 5.127 4.320 -0.000 0.000 0.301 676 A C -1.357 175.997 177.584 -0.384 0.000 1.132 676 A CA -0.434 51.500 52.037 -0.172 0.000 0.819 676 A CB 0.553 19.484 19.000 -0.115 0.000 1.094 676 A HN 0.961 nan 8.150 nan 0.000 0.492 677 W N 1.684 122.977 121.300 -0.011 0.000 2.475 677 W HA 0.535 5.195 4.660 -0.000 0.000 0.320 677 W C -0.971 175.452 176.519 -0.159 0.000 1.022 677 W CA -0.579 56.676 57.345 -0.151 0.000 1.240 677 W CB 1.616 31.091 29.460 0.025 0.000 1.328 677 W HN 0.402 nan 8.180 nan 0.000 0.439 678 V N 3.061 122.890 119.914 -0.142 0.000 2.417 678 V HA 0.568 4.688 4.120 -0.000 0.000 0.291 678 V C 0.004 176.195 176.094 0.160 0.000 1.024 678 V CA -0.783 61.477 62.300 -0.067 0.000 0.861 678 V CB 1.545 33.064 31.823 -0.508 0.000 0.985 678 V HN 0.498 nan 8.190 nan 0.000 0.436 679 T N 3.814 118.582 114.554 0.356 0.000 2.829 679 T HA 0.785 5.135 4.350 -0.000 0.000 0.282 679 T C -0.045 174.919 174.700 0.439 0.000 0.990 679 T CA -0.333 62.073 62.100 0.509 0.000 1.028 679 T CB 1.648 70.867 68.868 0.586 0.000 0.951 679 T HN 1.022 nan 8.240 nan 0.000 0.460 680 A N 1.714 124.855 122.820 0.535 0.000 2.422 680 A HA 0.985 5.305 4.320 -0.000 0.000 0.302 680 A C 0.006 177.961 177.584 0.619 0.000 1.041 680 A CA -0.412 51.937 52.037 0.520 0.000 0.708 680 A CB 1.782 21.129 19.000 0.578 0.000 1.257 680 A HN 1.204 nan 8.150 nan 0.000 0.414 681 G N -0.162 108.933 108.800 0.492 0.000 2.427 681 G HA2 0.825 4.784 3.960 -0.000 0.000 0.306 681 G HA3 0.825 4.784 3.960 -0.000 0.000 0.306 681 G C -1.211 174.018 174.900 0.549 0.000 1.280 681 G CA 0.214 45.608 45.100 0.491 0.000 0.837 681 G HN 2.107 nan 8.290 nan 0.000 0.482 682 F N -2.213 117.889 119.950 0.254 0.000 2.793 682 F HA 0.662 5.189 4.527 -0.000 0.000 0.316 682 F C -1.604 174.274 175.800 0.131 0.000 1.147 682 F CA -1.369 56.749 58.000 0.197 0.000 0.930 682 F CB 1.008 40.113 39.000 0.175 0.000 1.277 682 F HN 0.711 nan 8.300 nan 0.000 0.443 683 L N 2.776 124.123 121.223 0.206 0.000 2.380 683 L HA 0.450 4.789 4.340 -0.000 0.000 0.273 683 L C -0.796 176.179 176.870 0.174 0.000 1.138 683 L CA 0.224 55.100 54.840 0.060 0.000 0.832 683 L CB 0.549 42.635 42.059 0.045 0.000 1.124 683 L HN 0.851 nan 8.230 nan 0.000 0.454 684 H N 5.434 124.394 119.070 -0.184 0.000 2.887 684 H HA 0.456 5.012 4.556 -0.000 0.000 0.300 684 H C -0.995 174.166 175.328 -0.278 0.000 1.038 684 H CA -0.915 55.033 56.048 -0.166 0.000 1.352 684 H CB 0.733 30.312 29.762 -0.305 0.000 1.473 684 H HN 0.662 nan 8.280 nan 0.000 0.503 685 I N 7.702 128.376 120.570 0.172 0.000 2.291 685 I HA 0.218 4.388 4.170 -0.000 0.000 0.290 685 I C -2.165 174.114 176.117 0.270 0.000 1.050 685 I CA -2.072 59.284 61.300 0.095 0.000 1.245 685 I CB 0.902 38.939 38.000 0.061 0.000 1.405 685 I HN 0.453 nan 8.210 nan 0.000 0.478 686 P HA 0.076 nan 4.420 nan 0.000 0.267 686 P C -1.089 176.314 177.300 0.171 0.000 1.201 686 P CA 0.371 63.511 63.100 0.066 0.000 0.775 686 P CB 0.333 31.999 31.700 -0.057 0.000 0.854 687 H N -1.862 117.259 119.070 0.086 0.000 2.948 687 H HA 0.660 5.216 4.556 -0.000 0.000 0.315 687 H C 0.684 176.036 175.328 0.039 0.000 1.360 687 H CA -0.878 55.197 56.048 0.046 0.000 1.125 687 H CB 0.201 29.984 29.762 0.036 0.000 1.844 687 H HN 0.202 nan 8.280 nan 0.000 0.529 688 A N 0.444 123.329 122.820 0.109 0.000 1.986 688 A HA -0.215 4.105 4.320 -0.000 0.000 0.220 688 A C 1.584 179.168 177.584 -0.000 0.000 1.171 688 A CA 1.825 53.886 52.037 0.039 0.000 0.640 688 A CB -0.710 18.324 19.000 0.057 0.000 0.811 688 A HN 0.777 nan 8.150 nan 0.000 0.451 689 E N 0.068 120.286 120.200 0.029 0.000 2.502 689 E HA -0.044 4.306 4.350 -0.000 0.000 0.194 689 E C -0.221 176.306 176.600 -0.122 0.000 1.062 689 E CA 0.416 56.814 56.400 -0.002 0.000 0.867 689 E CB -0.335 29.424 29.700 0.098 0.000 0.888 689 E HN 0.536 nan 8.360 nan 0.000 0.510 690 D N 0.939 121.184 120.400 -0.258 0.000 2.336 690 D HA 0.088 4.728 4.640 -0.000 0.000 0.229 690 D C 0.167 176.402 176.300 -0.109 0.000 1.061 690 D CA 0.205 54.098 54.000 -0.178 0.000 0.875 690 D CB 0.542 41.246 40.800 -0.160 0.000 0.904 690 D HN 0.183 nan 8.370 nan 0.000 0.525 691 I N 2.321 122.841 120.570 -0.083 0.000 2.362 691 I HA 0.130 4.300 4.170 -0.000 0.000 0.289 691 I C -1.353 174.737 176.117 -0.045 0.000 0.994 691 I CA -1.961 59.309 61.300 -0.049 0.000 1.158 691 I CB 1.705 39.691 38.000 -0.024 0.000 1.315 691 I HN -0.271 nan 8.210 nan 0.000 0.451 692 P HA 0.029 nan 4.420 nan 0.000 0.224 692 P C 0.094 177.204 177.300 -0.317 0.000 1.157 692 P CA 0.842 63.886 63.100 -0.093 0.000 0.799 692 P CB 0.826 32.491 31.700 -0.059 0.000 0.809 693 N N -1.274 117.252 118.700 -0.290 0.000 2.312 693 N HA 0.264 5.004 4.740 -0.000 0.000 0.296 693 N C -0.844 174.561 175.510 -0.175 0.000 1.193 693 N CA -0.532 52.319 53.050 -0.332 0.000 0.773 693 N CB 1.720 39.995 38.487 -0.352 0.000 1.435 693 N HN -0.285 nan 8.380 nan 0.000 0.484 694 T N 1.159 115.638 114.554 -0.125 0.000 2.794 694 T HA 0.187 4.537 4.350 -0.000 0.000 0.296 694 T C 0.560 175.207 174.700 -0.088 0.000 0.949 694 T CA -0.586 61.479 62.100 -0.057 0.000 1.101 694 T CB 0.400 69.309 68.868 0.068 0.000 0.905 694 T HN 0.301 nan 8.240 nan 0.000 0.516 695 V N 2.199 122.061 119.914 -0.086 0.000 3.133 695 V HA 0.392 4.512 4.120 -0.000 0.000 0.305 695 V C 1.397 177.437 176.094 -0.089 0.000 1.084 695 V CA -0.143 62.104 62.300 -0.089 0.000 1.089 695 V CB 0.671 32.450 31.823 -0.074 0.000 1.073 695 V HN 0.953 nan 8.190 nan 0.000 0.477 696 T N -0.290 114.210 114.554 -0.091 0.000 3.088 696 T HA 0.046 4.396 4.350 -0.000 0.000 0.259 696 T C 0.824 175.522 174.700 -0.004 0.000 1.122 696 T CA 0.784 62.858 62.100 -0.044 0.000 1.095 696 T CB -0.141 68.615 68.868 -0.187 0.000 0.930 696 T HN 1.200 nan 8.240 nan 0.000 0.508 697 V N 1.691 121.572 119.914 -0.055 0.000 2.529 697 V HA 0.524 4.644 4.120 -0.000 0.000 0.292 697 V C 1.369 177.406 176.094 -0.095 0.000 1.028 697 V CA 0.793 63.063 62.300 -0.049 0.000 1.074 697 V CB -0.285 31.507 31.823 -0.052 0.000 0.958 697 V HN 0.866 nan 8.190 nan 0.000 0.481 698 G N 5.174 113.919 108.800 -0.092 0.000 2.205 698 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.261 698 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.261 698 G C 0.587 175.312 174.900 -0.293 0.000 0.980 698 G CA 0.556 45.553 45.100 -0.170 0.000 0.632 698 G HN 0.803 nan 8.290 nan 0.000 0.533 699 N N 0.983 119.497 118.700 -0.311 0.000 2.254 699 N HA 0.177 4.916 4.740 -0.000 0.000 0.190 699 N C 1.373 176.520 175.510 -0.604 0.000 1.107 699 N CA 0.770 53.463 53.050 -0.595 0.000 0.869 699 N CB 0.282 38.444 38.487 -0.541 0.000 0.983 699 N HN 0.601 nan 8.380 nan 0.000 0.487 700 G N 1.496 109.995 108.800 -0.501 0.000 2.334 700 G HA2 0.359 4.319 3.960 -0.000 0.000 0.261 700 G HA3 0.359 4.319 3.960 -0.000 0.000 0.261 700 G C 0.259 174.811 174.900 -0.581 0.000 1.257 700 G CA -0.042 44.480 45.100 -0.964 0.000 0.935 700 G HN 0.015 nan 8.290 nan 0.000 0.480 701 V N 1.314 120.858 119.914 -0.618 0.000 2.914 701 V HA 1.068 5.188 4.120 -0.000 0.000 0.314 701 V C 0.474 176.451 176.094 -0.196 0.000 1.084 701 V CA 0.127 62.246 62.300 -0.301 0.000 0.963 701 V CB 1.445 33.212 31.823 -0.093 0.000 1.025 701 V HN 1.562 nan 8.190 nan 0.000 0.432 702 G N 2.206 110.946 108.800 -0.100 0.000 2.600 702 G HA2 0.549 4.508 3.960 -0.000 0.000 0.103 702 G HA3 0.549 4.508 3.960 -0.000 0.000 0.103 702 G C -1.199 173.691 174.900 -0.018 0.000 1.090 702 G CA 0.154 45.200 45.100 -0.090 0.000 1.090 702 G HN 2.068 nan 8.290 nan 0.000 0.500 703 F N -1.845 117.888 119.950 -0.363 0.000 2.719 703 F HA 0.817 5.344 4.527 -0.000 0.000 0.309 703 F C -1.947 173.602 175.800 -0.419 0.000 1.138 703 F CA -1.825 56.004 58.000 -0.285 0.000 0.943 703 F CB 0.998 39.887 39.000 -0.184 0.000 1.304 703 F HN 0.411 nan 8.300 nan 0.000 0.445 704 F N 2.352 122.313 119.950 0.019 0.000 2.443 704 F HA 0.662 5.189 4.527 -0.000 0.000 0.335 704 F C -0.349 175.508 175.800 0.094 0.000 1.104 704 F CA -0.808 57.160 58.000 -0.054 0.000 1.013 704 F CB 1.895 40.829 39.000 -0.110 0.000 1.136 704 F HN 0.375 nan 8.300 nan 0.000 0.470 705 L N 5.718 127.101 121.223 0.266 0.000 2.283 705 L HA 0.523 4.863 4.340 -0.000 0.000 0.281 705 L C -0.425 176.625 176.870 0.301 0.000 1.033 705 L CA -0.657 54.367 54.840 0.307 0.000 0.848 705 L CB 0.486 42.717 42.059 0.286 0.000 1.226 705 L HN 0.571 nan 8.230 nan 0.000 0.429 706 R N 3.240 123.816 120.500 0.126 0.000 2.637 706 R HA 0.600 4.940 4.340 -0.000 0.000 0.291 706 R C -2.903 173.107 176.300 -0.482 0.000 0.963 706 R CA -2.187 53.855 56.100 -0.097 0.000 0.901 706 R CB 1.528 31.771 30.300 -0.095 0.000 1.160 706 R HN 0.152 nan 8.270 nan 0.000 0.457 707 P HA -0.012 nan 4.420 nan 0.000 0.271 707 P C -1.389 175.782 177.300 -0.215 0.000 1.226 707 P CA 0.074 62.668 63.100 -0.844 0.000 0.765 707 P CB 0.274 31.810 31.700 -0.273 0.000 0.835 708 Y N 4.341 124.457 120.300 -0.307 0.000 2.526 708 Y HA 0.237 4.787 4.550 -0.000 0.000 0.328 708 Y C 0.503 176.301 175.900 -0.170 0.000 0.995 708 Y CA -0.310 57.654 58.100 -0.227 0.000 1.304 708 Y CB 0.307 38.560 38.460 -0.346 0.000 1.096 708 Y HN 0.379 nan 8.280 nan 0.000 0.499 709 N N 3.384 121.884 118.700 -0.333 0.000 2.800 709 N HA -0.324 4.416 4.740 -0.000 0.000 0.250 709 N C 0.526 176.030 175.510 -0.010 0.000 1.078 709 N CA 1.551 54.480 53.050 -0.202 0.000 0.804 709 N CB -1.683 36.602 38.487 -0.337 0.000 1.135 709 N HN 0.798 nan 8.380 nan 0.000 0.565 710 F N 0.151 120.012 119.950 -0.148 0.000 2.128 710 F HA 0.152 4.679 4.527 -0.000 0.000 0.295 710 F C 0.912 176.515 175.800 -0.328 0.000 1.100 710 F CA 0.980 58.834 58.000 -0.243 0.000 1.260 710 F CB 0.121 38.891 39.000 -0.383 0.000 1.009 710 F HN -0.030 nan 8.300 nan 0.000 0.476 711 F N 0.486 120.548 119.950 0.186 0.000 2.410 711 F HA 0.221 4.748 4.527 -0.000 0.000 0.324 711 F C 1.335 177.162 175.800 0.045 0.000 1.093 711 F CA -0.777 57.279 58.000 0.093 0.000 1.028 711 F CB 0.222 39.349 39.000 0.211 0.000 1.309 711 F HN -0.244 nan 8.300 nan 0.000 0.499 712 D N -0.390 120.154 120.400 0.241 0.000 2.354 712 D HA 0.047 4.687 4.640 -0.000 0.000 0.209 712 D C 0.108 176.599 176.300 0.319 0.000 1.015 712 D CA 0.653 54.732 54.000 0.130 0.000 0.867 712 D CB 0.200 40.949 40.800 -0.085 0.000 0.933 712 D HN 0.705 nan 8.370 nan 0.000 0.520 713 E N -0.586 119.783 120.200 0.282 0.000 2.435 713 E HA 0.141 4.491 4.350 -0.000 0.000 0.277 713 E C -1.587 175.102 176.600 0.147 0.000 1.106 713 E CA -0.847 55.663 56.400 0.183 0.000 0.868 713 E CB 0.652 30.406 29.700 0.091 0.000 1.454 713 E HN -0.272 nan 8.360 nan 0.000 0.452 714 D N 0.890 121.328 120.400 0.065 0.000 2.401 714 D HA 0.173 4.813 4.640 -0.000 0.000 0.254 714 D C -1.607 174.736 176.300 0.071 0.000 1.192 714 D CA -1.960 52.060 54.000 0.034 0.000 0.885 714 D CB 1.376 42.194 40.800 0.029 0.000 1.147 714 D HN 0.134 nan 8.370 nan 0.000 0.478 715 P HA -0.159 nan 4.420 nan 0.000 0.218 715 P C 1.206 178.636 177.300 0.216 0.000 1.148 715 P CA 1.127 64.285 63.100 0.098 0.000 0.822 715 P CB 0.055 31.731 31.700 -0.039 0.000 0.784 716 S N -1.492 114.291 115.700 0.138 0.000 2.474 716 S HA -0.159 4.311 4.470 -0.000 0.000 0.235 716 S C 1.787 176.436 174.600 0.080 0.000 0.997 716 S CA 0.222 58.495 58.200 0.121 0.000 0.949 716 S CB -1.598 61.666 63.200 0.106 0.000 0.766 716 S HN 0.054 nan 8.310 nan 0.000 0.517 717 F N 2.023 121.919 119.950 -0.089 0.000 2.192 717 F HA -0.069 4.458 4.527 -0.000 0.000 0.301 717 F C 1.259 176.871 175.800 -0.314 0.000 1.079 717 F CA 1.143 58.993 58.000 -0.249 0.000 1.303 717 F CB -0.474 38.287 39.000 -0.398 0.000 1.024 717 F HN 0.269 nan 8.300 nan 0.000 0.494 718 Y N -0.197 120.055 120.300 -0.080 0.000 2.462 718 Y HA 0.192 4.742 4.550 -0.000 0.000 0.293 718 Y C 1.425 177.247 175.900 -0.129 0.000 1.195 718 Y CA 0.104 58.109 58.100 -0.160 0.000 1.276 718 Y CB -0.622 37.818 38.460 -0.034 0.000 1.082 718 Y HN -0.078 nan 8.280 nan 0.000 0.514 719 S N 0.481 116.180 115.700 -0.002 0.000 2.560 719 S HA 0.240 4.710 4.470 -0.000 0.000 0.284 719 S C 1.527 176.122 174.600 -0.009 0.000 1.327 719 S CA 0.200 58.410 58.200 0.018 0.000 1.055 719 S CB 0.972 64.193 63.200 0.035 0.000 0.868 719 S HN 0.486 nan 8.310 nan 0.000 0.506 720 A N 3.527 126.354 122.820 0.011 0.000 2.015 720 A HA -0.001 4.319 4.320 -0.000 0.000 0.219 720 A C 1.481 179.077 177.584 0.022 0.000 1.163 720 A CA 1.335 53.377 52.037 0.009 0.000 0.646 720 A CB -0.274 18.735 19.000 0.014 0.000 0.806 720 A HN 0.870 nan 8.150 nan 0.000 0.448 721 D N -0.427 119.995 120.400 0.036 0.000 2.349 721 D HA 0.091 4.731 4.640 -0.000 0.000 0.214 721 D C 0.635 176.975 176.300 0.066 0.000 1.063 721 D CA 0.270 54.303 54.000 0.055 0.000 0.847 721 D CB 0.097 40.936 40.800 0.066 0.000 0.933 721 D HN 0.306 nan 8.370 nan 0.000 0.513 722 S N 0.584 116.310 115.700 0.043 0.000 2.558 722 S HA 0.157 4.627 4.470 -0.000 0.000 0.288 722 S C 0.046 174.699 174.600 0.089 0.000 1.318 722 S CA -0.034 58.192 58.200 0.044 0.000 1.056 722 S CB 0.328 63.508 63.200 -0.034 0.000 0.853 722 S HN 0.040 nan 8.310 nan 0.000 0.505 723 I N 4.170 124.824 120.570 0.141 0.000 2.498 723 I HA 0.471 4.641 4.170 -0.000 0.000 0.290 723 I C -1.154 175.116 176.117 0.255 0.000 1.032 723 I CA -0.679 60.758 61.300 0.228 0.000 1.073 723 I CB 1.895 40.075 38.000 0.300 0.000 1.251 723 I HN 0.771 nan 8.210 nan 0.000 0.426 724 Y N 8.228 128.610 120.300 0.137 0.000 2.479 724 Y HA 0.693 5.243 4.550 -0.000 0.000 0.338 724 Y C -1.770 174.253 175.900 0.204 0.000 1.055 724 Y CA -1.131 57.000 58.100 0.052 0.000 1.023 724 Y CB 1.574 40.030 38.460 -0.007 0.000 1.287 724 Y HN 0.433 nan 8.280 nan 0.000 0.447 725 F N 2.836 122.395 119.950 -0.651 0.000 2.678 725 F HA 0.737 5.264 4.527 -0.000 0.000 0.308 725 F C -1.377 174.094 175.800 -0.549 0.000 1.118 725 F CA -1.489 56.207 58.000 -0.506 0.000 0.959 725 F CB 1.229 40.157 39.000 -0.120 0.000 1.305 725 F HN 0.430 nan 8.300 nan 0.000 0.443 726 R N 0.195 120.672 120.500 -0.039 0.000 2.546 726 R HA 0.510 4.850 4.340 -0.000 0.000 0.266 726 R C 1.075 177.515 176.300 0.233 0.000 1.086 726 R CA -0.352 55.804 56.100 0.093 0.000 1.160 726 R CB 1.015 31.400 30.300 0.141 0.000 1.138 726 R HN 1.075 nan 8.270 nan 0.000 0.567 727 G N 0.243 109.166 108.800 0.204 0.000 2.650 727 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.214 727 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.214 727 G C 0.336 175.300 174.900 0.106 0.000 1.136 727 G CA 0.349 45.547 45.100 0.164 0.000 0.789 727 G HN 0.709 nan 8.290 nan 0.000 0.536 728 D N -0.599 119.869 120.400 0.114 0.000 2.615 728 D HA 0.123 4.763 4.640 -0.000 0.000 0.236 728 D C 0.541 176.881 176.300 0.067 0.000 1.233 728 D CA -0.523 53.525 54.000 0.080 0.000 0.829 728 D CB -0.293 40.559 40.800 0.086 0.000 1.024 728 D HN 0.493 nan 8.370 nan 0.000 0.490 729 Q N -0.978 118.861 119.800 0.065 0.000 2.340 729 Q HA 0.299 4.638 4.340 -0.000 0.000 0.276 729 Q C -1.475 174.517 176.000 -0.013 0.000 1.048 729 Q CA -0.981 54.848 55.803 0.042 0.000 0.832 729 Q CB 1.298 30.081 28.738 0.075 0.000 1.373 729 Q HN -0.180 nan 8.270 nan 0.000 0.409 730 D N 1.694 122.073 120.400 -0.035 0.000 2.402 730 D HA 0.113 4.753 4.640 -0.000 0.000 0.268 730 D C 0.634 176.833 176.300 -0.167 0.000 1.294 730 D CA 0.603 54.551 54.000 -0.086 0.000 0.945 730 D CB 1.089 41.856 40.800 -0.056 0.000 1.112 730 D HN 0.661 nan 8.370 nan 0.000 0.517 731 A N 3.162 125.791 122.820 -0.317 0.000 2.119 731 A HA 0.094 4.414 4.320 -0.000 0.000 0.217 731 A C 1.871 179.226 177.584 -0.382 0.000 1.153 731 A CA 1.026 52.692 52.037 -0.618 0.000 0.692 731 A CB 0.065 18.399 19.000 -1.109 0.000 0.799 731 A HN 0.566 nan 8.150 nan 0.000 0.458 732 G N -1.247 107.417 108.800 -0.227 0.000 3.088 732 G HA2 0.448 4.408 3.960 -0.000 0.000 0.217 732 G HA3 0.448 4.408 3.960 -0.000 0.000 0.217 732 G C 0.430 175.277 174.900 -0.088 0.000 1.159 732 G CA 0.633 45.647 45.100 -0.143 0.000 0.760 732 G HN 0.701 nan 8.290 nan 0.000 0.550 733 A N -0.934 121.837 122.820 -0.081 0.000 2.312 733 A HA 0.519 4.839 4.320 -0.000 0.000 0.326 733 A C 1.244 178.815 177.584 -0.021 0.000 1.172 733 A CA -0.433 51.580 52.037 -0.041 0.000 0.821 733 A CB 0.858 19.839 19.000 -0.030 0.000 1.166 733 A HN 0.125 nan 8.150 nan 0.000 0.493 734 c N 0.764 119.361 118.600 -0.005 0.000 2.401 734 c HA -0.109 4.461 4.570 -0.000 0.000 0.276 734 c C 2.532 176.636 174.090 0.023 0.000 1.233 734 c CA 1.396 57.731 56.329 0.011 0.000 1.753 734 c CB -0.985 41.533 42.510 0.013 0.000 2.029 734 c HN 0.894 nan 8.230 nan 0.000 0.478 735 E N 0.195 120.408 120.200 0.022 0.000 2.171 735 E HA -0.152 4.198 4.350 -0.000 0.000 0.197 735 E C 2.080 178.710 176.600 0.051 0.000 0.997 735 E CA 1.285 57.705 56.400 0.033 0.000 0.810 735 E CB -0.435 29.283 29.700 0.029 0.000 0.738 735 E HN 0.576 nan 8.360 nan 0.000 0.467 736 V N 0.321 120.265 119.914 0.049 0.000 3.085 736 V HA 0.075 4.195 4.120 -0.000 0.000 0.245 736 V C 0.721 176.883 176.094 0.112 0.000 1.114 736 V CA 0.317 62.666 62.300 0.081 0.000 1.108 736 V CB 0.016 31.872 31.823 0.055 0.000 0.798 736 V HN 0.103 nan 8.190 nan 0.000 0.471 737 N N 0.484 119.226 118.700 0.070 0.000 2.609 737 N HA 0.279 5.019 4.740 -0.000 0.000 0.268 737 N C -2.221 173.331 175.510 0.070 0.000 1.106 737 N CA -1.713 51.391 53.050 0.091 0.000 0.823 737 N CB 2.243 40.739 38.487 0.015 0.000 1.263 737 N HN -0.045 nan 8.380 nan 0.000 0.533 738 P HA -0.151 nan 4.420 nan 0.000 0.221 738 P C 1.334 178.671 177.300 0.061 0.000 1.141 738 P CA 0.478 63.619 63.100 0.069 0.000 0.794 738 P CB 0.650 32.396 31.700 0.076 0.000 0.764 739 L N -0.822 120.443 121.223 0.070 0.000 2.418 739 L HA 0.150 4.490 4.340 -0.000 0.000 0.218 739 L C 2.284 179.170 176.870 0.027 0.000 1.125 739 L CA 0.956 55.829 54.840 0.055 0.000 0.835 739 L CB -1.344 40.760 42.059 0.075 0.000 0.953 739 L HN -0.107 nan 8.230 nan 0.000 0.454 740 A N -2.268 120.560 122.820 0.014 0.000 2.123 740 A HA -0.075 4.245 4.320 -0.000 0.000 0.214 740 A C 2.044 179.632 177.584 0.007 0.000 1.152 740 A CA 0.989 53.023 52.037 -0.005 0.000 0.728 740 A CB -0.820 18.163 19.000 -0.028 0.000 0.814 740 A HN 0.512 nan 8.150 nan 0.000 0.464 741 c N -1.071 117.541 118.600 0.020 0.000 2.626 741 c HA 0.246 4.816 4.570 -0.000 0.000 0.266 741 c C 2.188 176.297 174.090 0.032 0.000 1.317 741 c CA -0.014 56.330 56.329 0.025 0.000 1.716 741 c CB -1.519 41.009 42.510 0.029 0.000 1.819 741 c HN 0.589 nan 8.230 nan 0.000 0.578 742 L N 2.203 123.446 121.223 0.033 0.000 1.994 742 L HA -0.023 4.316 4.340 -0.000 0.000 0.208 742 L C -0.295 176.602 176.870 0.046 0.000 1.071 742 L CA 2.405 57.269 54.840 0.040 0.000 0.745 742 L CB -1.407 40.673 42.059 0.034 0.000 0.892 742 L HN 0.113 nan 8.230 nan 0.000 0.431 743 P HA -0.245 nan 4.420 nan 0.000 0.213 743 P C 1.447 178.769 177.300 0.038 0.000 1.170 743 P CA 1.467 64.588 63.100 0.034 0.000 0.902 743 P CB -0.113 31.598 31.700 0.018 0.000 0.789 744 Q N -0.064 119.754 119.800 0.031 0.000 1.889 744 Q HA -0.103 4.237 4.340 -0.000 0.000 0.211 744 Q C 0.639 176.664 176.000 0.042 0.000 0.988 744 Q CA 1.476 57.298 55.803 0.031 0.000 0.861 744 Q CB -0.765 27.988 28.738 0.024 0.000 0.922 744 Q HN 0.080 nan 8.270 nan 0.000 0.425 745 A N -0.026 122.821 122.820 0.046 0.000 2.805 745 A HA 0.492 4.812 4.320 -0.000 0.000 0.301 745 A C 0.102 177.732 177.584 0.077 0.000 1.557 745 A CA 0.721 52.792 52.037 0.057 0.000 1.254 745 A CB -0.493 18.537 19.000 0.050 0.000 1.114 745 A HN 0.556 nan 8.150 nan 0.000 0.553 746 A N 1.022 123.901 122.820 0.099 0.000 2.386 746 A HA 0.360 4.680 4.320 -0.000 0.000 0.221 746 A C 0.729 178.411 177.584 0.164 0.000 2.888 746 A CA 0.294 52.427 52.037 0.160 0.000 1.612 746 A CB -1.091 17.996 19.000 0.145 0.000 0.163 746 A HN 1.994 nan 8.150 nan 0.000 0.584 747 A N 0.530 123.405 122.820 0.093 0.000 2.988 747 A HA 0.530 4.850 4.320 -0.000 0.000 0.288 747 A C 0.767 178.361 177.584 0.017 0.000 1.385 747 A CA 0.489 52.557 52.037 0.052 0.000 1.001 747 A CB -1.635 17.386 19.000 0.035 0.000 1.071 747 A HN 1.680 nan 8.150 nan 0.000 0.608 748 c N -1.997 116.609 118.600 0.011 0.000 2.407 748 c HA 0.906 5.476 4.570 -0.000 0.000 0.366 748 c C 0.633 174.611 174.090 -0.188 0.000 1.213 748 c CA -0.606 55.693 56.329 -0.049 0.000 2.011 748 c CB 0.928 43.439 42.510 0.001 0.000 2.306 748 c HN 0.809 nan 8.230 nan 0.000 0.527 749 A N 2.358 125.038 122.820 -0.234 0.000 2.252 749 A HA 0.689 5.009 4.320 -0.000 0.000 0.309 749 A C -2.261 175.032 177.584 -0.486 0.000 1.285 749 A CA -1.123 50.703 52.037 -0.351 0.000 0.900 749 A CB -0.541 18.291 19.000 -0.281 0.000 1.157 749 A HN 0.819 nan 8.150 nan 0.000 0.536 750 P HA -0.014 nan 4.420 nan 0.000 0.261 750 P C -0.719 176.380 177.300 -0.335 0.000 1.165 750 P CA 0.439 63.272 63.100 -0.446 0.000 0.759 750 P CB 0.425 31.829 31.700 -0.493 0.000 0.772 751 D N 2.830 123.122 120.400 -0.181 0.000 3.057 751 D HA 0.153 4.793 4.640 -0.000 0.000 0.246 751 D C 0.084 176.436 176.300 0.088 0.000 1.238 751 D CA -0.235 53.746 54.000 -0.032 0.000 0.949 751 D CB -0.815 40.105 40.800 0.200 0.000 1.086 751 D HN 0.225 nan 8.370 nan 0.000 0.487 752 L N 1.185 122.426 121.223 0.031 0.000 2.462 752 L HA 0.245 4.585 4.340 -0.000 0.000 0.272 752 L C -1.375 175.612 176.870 0.196 0.000 1.166 752 L CA -1.485 53.420 54.840 0.108 0.000 0.880 752 L CB -0.344 41.648 42.059 -0.113 0.000 1.142 752 L HN 0.097 nan 8.230 nan 0.000 0.473 753 P HA 0.147 nan 4.420 nan 0.000 0.272 753 P C -0.555 176.899 177.300 0.257 0.000 1.240 753 P CA -0.625 62.611 63.100 0.226 0.000 0.791 753 P CB 0.657 32.469 31.700 0.186 0.000 0.978 754 A N 1.734 124.659 122.820 0.175 0.000 2.546 754 A HA 0.081 4.401 4.320 -0.000 0.000 0.243 754 A C 0.034 177.742 177.584 0.208 0.000 1.063 754 A CA -0.269 51.877 52.037 0.181 0.000 0.757 754 A CB -0.949 18.120 19.000 0.115 0.000 0.991 754 A HN 0.535 nan 8.150 nan 0.000 0.503 755 F N 4.155 124.201 119.950 0.159 0.000 2.541 755 F HA 0.349 4.876 4.527 -0.000 0.000 0.378 755 F C 0.822 176.647 175.800 0.043 0.000 1.068 755 F CA 0.899 58.968 58.000 0.115 0.000 1.199 755 F CB 0.448 39.550 39.000 0.169 0.000 1.091 755 F HN 0.574 nan 8.300 nan 0.000 0.555 756 S N 6.170 121.446 115.700 -0.707 0.000 2.513 756 S HA 0.421 4.891 4.470 -0.000 0.000 0.299 756 S C -1.247 172.881 174.600 -0.787 0.000 1.087 756 S CA -0.760 57.124 58.200 -0.526 0.000 1.012 756 S CB 1.686 64.716 63.200 -0.283 0.000 1.044 756 S HN 0.846 nan 8.310 nan 0.000 0.485 757 H N 0.819 119.604 119.070 -0.475 0.000 2.782 757 H HA 0.564 5.120 4.556 -0.000 0.000 0.347 757 H C -0.911 174.313 175.328 -0.173 0.000 1.038 757 H CA -0.372 55.474 56.048 -0.336 0.000 1.255 757 H CB 1.464 31.142 29.762 -0.139 0.000 1.623 757 H HN 1.038 nan 8.280 nan 0.000 0.525 758 G N 1.780 110.183 108.800 -0.662 0.000 2.702 758 G HA2 0.533 4.493 3.960 -0.000 0.000 0.295 758 G HA3 0.533 4.493 3.960 -0.000 0.000 0.295 758 G C -0.671 173.911 174.900 -0.530 0.000 1.446 758 G CA -0.418 44.434 45.100 -0.414 0.000 0.983 758 G HN 0.808 nan 8.290 nan 0.000 0.520 759 G N 0.512 109.069 108.800 -0.406 0.000 2.141 759 G HA2 0.382 4.342 3.960 -0.000 0.000 0.177 759 G HA3 0.382 4.342 3.960 -0.000 0.000 0.177 759 G C -1.225 173.402 174.900 -0.455 0.000 1.510 759 G CA -0.876 44.021 45.100 -0.337 0.000 1.082 759 G HN 0.679 nan 8.290 nan 0.000 0.622 760 F N 2.277 122.265 119.950 0.064 0.000 2.915 760 F HA 0.439 4.965 4.527 -0.000 0.000 0.350 760 F C 0.630 176.459 175.800 0.049 0.000 1.248 760 F CA -0.854 57.193 58.000 0.078 0.000 1.084 760 F CB 2.311 41.366 39.000 0.092 0.000 1.391 760 F HN 0.532 nan 8.300 nan 0.000 0.548 761 S N 1.726 117.544 115.700 0.198 0.000 2.455 761 S HA 0.801 5.271 4.470 -0.000 0.000 0.278 761 S C -0.249 174.397 174.600 0.078 0.000 1.216 761 S CA 0.420 58.688 58.200 0.114 0.000 1.055 761 S CB 0.143 63.387 63.200 0.074 0.000 0.939 761 S HN 1.094 nan 8.310 nan 0.000 0.494 762 H N 0.000 119.106 119.070 0.059 0.000 2.539 762 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 762 H CA 0.000 nan 56.048 nan 0.000 1.023 762 H CB 0.000 nan 29.762 nan 0.000 1.292 762 H HN 0.000 nan 8.280 nan 0.000 0.496