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_B 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 0.000 177.368 177.300 0.113 0.000 1.155 39 P CA 0.000 63.151 63.100 0.085 0.000 0.800 39 P CB 0.000 31.746 31.700 0.077 0.000 0.726 40 H N -0.449 118.637 119.070 0.026 0.000 2.683 40 H HA 0.269 4.822 4.556 -0.006 0.000 0.339 40 H C -0.095 175.269 175.328 0.059 0.000 1.081 40 H CA 0.111 56.179 56.048 0.035 0.000 1.432 40 H CB 0.826 30.608 29.762 0.033 0.000 1.462 40 H HN 0.346 nan 8.280 nan 0.000 0.557 41 c N 7.136 125.751 118.600 0.026 0.000 2.648 41 c HA 0.090 4.657 4.570 -0.005 0.000 0.419 41 c C -1.293 172.880 174.090 0.138 0.000 1.352 41 c CA -1.247 55.145 56.329 0.104 0.000 1.816 41 c CB -0.521 42.087 42.510 0.163 0.000 2.598 41 c HN 0.701 nan 8.230 nan 0.000 0.598 59 L N 0.914 121.991 121.223 -0.244 0.000 2.149 59 L HA -0.244 4.093 4.340 -0.005 0.000 0.223 59 L C 1.077 177.535 176.870 -0.687 0.000 1.089 59 L CA 2.353 56.860 54.840 -0.555 0.000 0.800 59 L CB -0.312 41.227 42.059 -0.866 0.000 0.897 59 L HN 0.676 nan 8.230 nan 0.000 0.443 60 F N -1.584 118.235 119.950 -0.219 0.000 2.678 60 F HA 0.423 4.947 4.527 -0.005 0.000 0.305 60 F C 1.308 176.979 175.800 -0.215 0.000 1.090 60 F CA -0.047 57.733 58.000 -0.367 0.000 1.272 60 F CB -0.525 38.143 39.000 -0.554 0.000 1.060 60 F HN -0.034 nan 8.300 nan 0.000 0.576 61 A N 0.636 123.443 122.820 -0.022 0.000 2.498 61 A HA 0.121 4.438 4.320 -0.005 0.000 0.239 61 A C 0.133 177.720 177.584 0.005 0.000 1.068 61 A CA -0.415 51.601 52.037 -0.034 0.000 0.766 61 A CB -0.055 18.904 19.000 -0.068 0.000 1.003 61 A HN 0.097 nan 8.150 nan 0.000 0.497 62 D N 0.764 121.208 120.400 0.073 0.000 2.378 62 D HA 0.211 4.848 4.640 -0.005 0.000 0.238 62 D C 0.378 176.709 176.300 0.051 0.000 1.180 62 D CA 0.325 54.405 54.000 0.133 0.000 0.895 62 D CB 0.347 41.336 40.800 0.315 0.000 1.192 62 D HN 0.439 nan 8.370 nan 0.000 0.438 63 L N 1.279 122.514 121.223 0.020 0.000 2.455 63 L HA 0.042 4.379 4.340 -0.005 0.000 0.272 63 L C 1.216 178.046 176.870 -0.067 0.000 1.174 63 L CA -0.233 54.583 54.840 -0.040 0.000 0.869 63 L CB 0.116 42.144 42.059 -0.053 0.000 1.130 63 L HN 0.350 nan 8.230 nan 0.000 0.474 64 S N 2.975 118.611 115.700 -0.107 0.000 2.608 64 S HA 0.247 4.714 4.470 -0.005 0.000 0.261 64 S C 1.144 175.593 174.600 -0.253 0.000 1.314 64 S CA -0.729 57.354 58.200 -0.196 0.000 0.992 64 S CB 1.081 64.173 63.200 -0.179 0.000 0.935 64 S HN 0.602 nan 8.310 nan 0.000 0.564 65 R N 0.910 121.169 120.500 -0.402 0.000 2.112 65 R HA -0.190 4.147 4.340 -0.005 0.000 0.242 65 R C 2.180 178.362 176.300 -0.197 0.000 1.137 65 R CA 2.196 58.112 56.100 -0.307 0.000 0.944 65 R CB -0.756 29.349 30.300 -0.326 0.000 0.857 65 R HN 0.721 nan 8.270 nan 0.000 0.435 66 E N 0.646 120.740 120.200 -0.177 0.000 2.070 66 E HA -0.212 4.135 4.350 -0.005 0.000 0.197 66 E C 1.920 178.448 176.600 -0.120 0.000 1.004 66 E CA 1.595 57.918 56.400 -0.129 0.000 0.805 66 E CB -0.123 29.505 29.700 -0.119 0.000 0.744 66 E HN 0.410 nan 8.360 nan 0.000 0.451 67 E N 0.057 120.177 120.200 -0.133 0.000 2.051 67 E HA -0.160 4.187 4.350 -0.005 0.000 0.192 67 E C 2.165 178.703 176.600 -0.103 0.000 0.991 67 E CA 0.934 57.259 56.400 -0.124 0.000 0.799 67 E CB -0.180 29.446 29.700 -0.123 0.000 0.748 67 E HN 0.177 nan 8.360 nan 0.000 0.449 68 L N 0.669 121.827 121.223 -0.108 0.000 2.012 68 L HA -0.236 4.101 4.340 -0.005 0.000 0.210 68 L C 2.603 179.427 176.870 -0.076 0.000 1.073 68 L CA 1.446 56.228 54.840 -0.095 0.000 0.748 68 L CB -0.756 41.226 42.059 -0.129 0.000 0.891 68 L HN 0.214 nan 8.230 nan 0.000 0.431 69 T N -0.139 114.364 114.554 -0.085 0.000 2.684 69 T HA -0.236 4.111 4.350 -0.005 0.000 0.267 69 T C 1.995 176.679 174.700 -0.028 0.000 1.036 69 T CA 1.483 63.547 62.100 -0.060 0.000 1.148 69 T CB -0.359 68.469 68.868 -0.065 0.000 0.863 69 T HN 0.475 nan 8.240 nan 0.000 0.436 70 A N 0.918 123.717 122.820 -0.034 0.000 1.933 70 A HA -0.034 4.283 4.320 -0.005 0.000 0.218 70 A C 2.609 180.206 177.584 0.023 0.000 1.175 70 A CA 1.356 53.389 52.037 -0.006 0.000 0.628 70 A CB -0.974 18.001 19.000 -0.043 0.000 0.814 70 A HN 0.365 nan 8.150 nan 0.000 0.444 71 V N -0.659 119.252 119.914 -0.004 0.000 2.295 71 V HA -0.285 3.832 4.120 -0.005 0.000 0.246 71 V C 2.549 178.698 176.094 0.092 0.000 1.049 71 V CA 2.298 64.618 62.300 0.034 0.000 1.024 71 V CB -0.704 31.120 31.823 0.002 0.000 0.648 71 V HN 0.629 nan 8.190 nan 0.000 0.447 72 M N 0.405 120.031 119.600 0.043 0.000 2.108 72 M HA -0.163 4.314 4.480 -0.005 0.000 0.261 72 M C 2.230 178.563 176.300 0.056 0.000 1.066 72 M CA 1.875 57.198 55.300 0.039 0.000 1.107 72 M CB -0.811 31.789 32.600 0.001 0.000 1.356 72 M HN 0.238 nan 8.290 nan 0.000 0.406 73 R N -1.324 119.213 120.500 0.063 0.000 2.096 73 R HA -0.195 4.142 4.340 -0.005 0.000 0.235 73 R C 2.084 178.447 176.300 0.105 0.000 1.127 73 R CA 1.790 57.931 56.100 0.067 0.000 0.968 73 R CB -0.601 29.737 30.300 0.063 0.000 0.861 73 R HN 0.442 nan 8.270 nan 0.000 0.440 74 F N 0.657 120.604 119.950 -0.004 0.000 2.259 74 F HA 0.013 4.537 4.527 -0.005 0.000 0.298 74 F C 1.643 177.453 175.800 0.017 0.000 1.088 74 F CA 0.999 59.000 58.000 0.002 0.000 1.358 74 F CB 0.078 39.070 39.000 -0.014 0.000 1.040 74 F HN -0.027 nan 8.300 nan 0.000 0.505 75 L N -0.337 120.949 121.223 0.104 0.000 2.072 75 L HA -0.153 4.184 4.340 -0.005 0.000 0.205 75 L C 2.132 178.987 176.870 -0.025 0.000 1.079 75 L CA 1.632 56.493 54.840 0.035 0.000 0.752 75 L CB -1.118 40.992 42.059 0.086 0.000 0.906 75 L HN 0.169 nan 8.230 nan 0.000 0.436 76 T N -3.169 111.378 114.554 -0.011 0.000 3.308 76 T HA -0.062 4.285 4.350 -0.005 0.000 0.255 76 T C 1.331 176.005 174.700 -0.044 0.000 1.162 76 T CA 0.551 62.642 62.100 -0.015 0.000 1.031 76 T CB 0.047 68.915 68.868 0.001 0.000 0.973 76 T HN 0.438 nan 8.240 nan 0.000 0.544 77 Q N -0.245 119.490 119.800 -0.108 0.000 2.548 77 Q HA 0.243 4.580 4.340 -0.005 0.000 0.230 77 Q C 2.367 178.275 176.000 -0.154 0.000 0.899 77 Q CA -0.386 55.335 55.803 -0.136 0.000 0.936 77 Q CB 0.327 28.951 28.738 -0.191 0.000 1.114 77 Q HN 0.206 nan 8.270 nan 0.000 0.606 78 R N 0.872 121.227 120.500 -0.242 0.000 2.115 78 R HA 0.050 4.387 4.340 -0.005 0.000 0.226 78 R C 1.919 178.196 176.300 -0.038 0.000 1.100 78 R CA 0.822 56.812 56.100 -0.183 0.000 0.980 78 R CB -0.203 29.930 30.300 -0.279 0.000 0.875 78 R HN 0.253 nan 8.270 nan 0.000 0.445 79 L N 0.194 121.422 121.223 0.008 0.000 2.599 79 L HA 0.149 4.487 4.340 -0.005 0.000 0.230 79 L C 0.781 177.713 176.870 0.103 0.000 1.141 79 L CA 0.245 55.151 54.840 0.109 0.000 0.877 79 L CB -0.374 41.768 42.059 0.138 0.000 1.009 79 L HN 0.282 nan 8.230 nan 0.000 0.447 80 G N 0.642 109.469 108.800 0.045 0.000 2.661 80 G HA2 -0.152 3.805 3.960 -0.005 0.000 0.685 80 G HA3 -0.152 3.805 3.960 -0.005 0.000 0.685 80 G C -2.347 172.575 174.900 0.037 0.000 1.298 80 G CA -0.383 44.743 45.100 0.042 0.000 0.855 80 G HN 0.026 nan 8.290 nan 0.000 0.560 81 P HA 0.217 nan 4.420 nan 0.000 0.255 81 P C 1.278 178.599 177.300 0.035 0.000 1.248 81 P CA 1.341 64.457 63.100 0.026 0.000 0.807 81 P CB 0.448 32.159 31.700 0.019 0.000 1.150 82 G N 0.360 109.190 108.800 0.048 0.000 3.448 82 G HA2 0.213 4.170 3.960 -0.005 0.000 0.261 82 G HA3 0.213 4.170 3.960 -0.005 0.000 0.261 82 G C -0.114 174.825 174.900 0.065 0.000 1.173 82 G CA -0.104 45.029 45.100 0.055 0.000 0.835 82 G HN 0.208 nan 8.290 nan 0.000 0.534 83 L N 1.589 122.847 121.223 0.058 0.000 2.281 83 L HA 0.511 4.848 4.340 -0.005 0.000 0.285 83 L C -0.171 176.728 176.870 0.050 0.000 1.074 83 L CA -0.372 54.501 54.840 0.055 0.000 0.817 83 L CB 1.378 43.462 42.059 0.042 0.000 1.168 83 L HN -0.117 nan 8.230 nan 0.000 0.434 84 V N 4.127 124.077 119.914 0.060 0.000 2.539 84 V HA 0.235 4.352 4.120 -0.005 0.000 0.292 84 V C 0.001 176.132 176.094 0.063 0.000 1.045 84 V CA -0.891 61.448 62.300 0.065 0.000 0.945 84 V CB 1.436 33.310 31.823 0.085 0.000 0.993 84 V HN 0.747 nan 8.190 nan 0.000 0.464 85 D N 3.108 123.544 120.400 0.061 0.000 2.487 85 D HA 0.083 4.720 4.640 -0.005 0.000 0.243 85 D C 1.086 177.440 176.300 0.091 0.000 1.154 85 D CA 0.648 54.686 54.000 0.063 0.000 0.876 85 D CB 1.635 42.471 40.800 0.061 0.000 1.161 85 D HN 0.661 nan 8.370 nan 0.000 0.478 86 A N 4.351 127.224 122.820 0.088 0.000 2.024 86 A HA -0.075 4.242 4.320 -0.005 0.000 0.220 86 A C 2.133 179.824 177.584 0.178 0.000 1.164 86 A CA 1.786 53.897 52.037 0.122 0.000 0.643 86 A CB -0.557 18.492 19.000 0.082 0.000 0.806 86 A HN 0.692 nan 8.150 nan 0.000 0.451 87 A N -1.467 121.457 122.820 0.173 0.000 2.070 87 A HA -0.122 4.195 4.320 -0.005 0.000 0.220 87 A C 1.796 179.504 177.584 0.207 0.000 1.159 87 A CA 1.709 53.879 52.037 0.222 0.000 0.656 87 A CB -0.222 18.887 19.000 0.181 0.000 0.800 87 A HN 0.589 nan 8.150 nan 0.000 0.453 88 Q N -1.313 118.586 119.800 0.165 0.000 2.110 88 Q HA 0.482 4.819 4.340 -0.005 0.000 0.232 88 Q C -0.047 176.042 176.000 0.148 0.000 0.810 88 Q CA 0.104 55.997 55.803 0.149 0.000 1.083 88 Q CB 1.059 29.864 28.738 0.112 0.000 1.193 88 Q HN 0.538 nan 8.270 nan 0.000 0.471 89 A N 0.573 123.497 122.820 0.173 0.000 2.354 89 A HA 0.598 4.915 4.320 -0.005 0.000 0.269 89 A C -0.128 177.572 177.584 0.193 0.000 1.109 89 A CA -0.275 51.867 52.037 0.176 0.000 0.800 89 A CB 0.594 19.711 19.000 0.195 0.000 1.045 89 A HN 0.154 nan 8.150 nan 0.000 0.489 90 R N 1.418 122.021 120.500 0.172 0.000 2.596 90 R HA 0.495 4.832 4.340 -0.005 0.000 0.267 90 R C -1.930 174.503 176.300 0.221 0.000 1.026 90 R CA -2.040 54.161 56.100 0.169 0.000 1.087 90 R CB 0.250 30.613 30.300 0.105 0.000 1.132 90 R HN 0.400 nan 8.270 nan 0.000 0.531 91 P HA -0.154 nan 4.420 nan 0.000 0.216 91 P C 0.298 177.769 177.300 0.286 0.000 1.150 91 P CA 1.524 64.817 63.100 0.321 0.000 0.843 91 P CB 0.156 32.062 31.700 0.343 0.000 0.787 92 S N -2.599 113.203 115.700 0.170 0.000 2.701 92 S HA 0.053 4.520 4.470 -0.005 0.000 0.220 92 S C 0.475 175.140 174.600 0.107 0.000 0.954 92 S CA -0.213 58.046 58.200 0.099 0.000 0.936 92 S CB -0.757 62.477 63.200 0.057 0.000 0.777 92 S HN -0.038 nan 8.310 nan 0.000 0.518 93 D N 2.288 122.784 120.400 0.161 0.000 2.277 93 D HA 0.389 5.026 4.640 -0.005 0.000 0.250 93 D C -0.650 175.761 176.300 0.185 0.000 1.032 93 D CA -0.432 53.660 54.000 0.153 0.000 0.947 93 D CB 0.823 41.714 40.800 0.152 0.000 1.159 93 D HN 0.130 nan 8.370 nan 0.000 0.460 94 N N 0.189 118.979 118.700 0.150 0.000 2.434 94 N HA 0.361 5.099 4.740 -0.005 0.000 0.272 94 N C -0.433 175.120 175.510 0.072 0.000 1.040 94 N CA -0.336 52.786 53.050 0.120 0.000 0.956 94 N CB 0.659 39.230 38.487 0.140 0.000 1.108 94 N HN 0.415 nan 8.380 nan 0.000 0.481 95 C N -0.666 118.659 119.300 0.042 0.000 3.173 95 C HA 0.656 5.113 4.460 -0.005 0.000 0.310 95 C C -0.547 174.394 174.990 -0.082 0.000 1.306 95 C CA -0.925 58.101 59.018 0.013 0.000 1.426 95 C CB 0.661 28.449 27.740 0.081 0.000 1.800 95 C HN 0.342 nan 8.230 nan 0.000 0.470 96 V N 2.569 122.441 119.914 -0.070 0.000 2.350 96 V HA 0.309 4.426 4.120 -0.005 0.000 0.276 96 V C 0.402 176.441 176.094 -0.092 0.000 1.028 96 V CA 0.090 62.341 62.300 -0.082 0.000 0.860 96 V CB 0.845 32.647 31.823 -0.035 0.000 0.990 96 V HN 0.914 nan 8.190 nan 0.000 0.453 97 F N 4.192 123.922 119.950 -0.367 0.000 2.262 97 F HA 0.181 4.705 4.527 -0.005 0.000 0.292 97 F C 1.136 176.875 175.800 -0.102 0.000 1.081 97 F CA 0.783 58.526 58.000 -0.428 0.000 1.355 97 F CB 0.491 38.902 39.000 -0.982 0.000 1.069 97 F HN 0.552 nan 8.300 nan 0.000 0.506 98 S N -0.187 115.455 115.700 -0.097 0.000 2.535 98 S HA 0.677 5.144 4.470 -0.005 0.000 0.272 98 S C -1.535 173.094 174.600 0.048 0.000 1.149 98 S CA -0.768 57.383 58.200 -0.080 0.000 0.888 98 S CB 1.575 64.803 63.200 0.047 0.000 1.110 98 S HN -0.044 nan 8.310 nan 0.000 0.463 99 V N 2.574 122.496 119.914 0.014 0.000 2.577 99 V HA 0.792 4.909 4.120 -0.005 0.000 0.303 99 V C -0.522 175.587 176.094 0.026 0.000 1.042 99 V CA -0.370 61.953 62.300 0.039 0.000 0.872 99 V CB 1.209 33.039 31.823 0.012 0.000 0.998 99 V HN 1.130 nan 8.190 nan 0.000 0.423 100 E N 4.018 124.257 120.200 0.066 0.000 2.437 100 E HA 0.604 4.951 4.350 -0.005 0.000 0.280 100 E C -1.140 175.511 176.600 0.086 0.000 1.044 100 E CA -1.265 55.175 56.400 0.067 0.000 0.826 100 E CB 1.870 31.626 29.700 0.093 0.000 1.358 100 E HN 0.378 nan 8.360 nan 0.000 0.459 101 L N 1.440 122.714 121.223 0.086 0.000 2.615 101 L HA 0.020 4.357 4.340 -0.005 0.000 0.284 101 L C -0.244 176.686 176.870 0.099 0.000 1.237 101 L CA 0.748 55.631 54.840 0.072 0.000 0.905 101 L CB 0.390 42.492 42.059 0.072 0.000 1.149 101 L HN 0.632 nan 8.230 nan 0.000 0.499 102 Q N 4.950 124.795 119.800 0.075 0.000 2.421 102 Q HA 0.376 4.713 4.340 -0.005 0.000 0.242 102 Q C -0.979 175.062 176.000 0.068 0.000 1.024 102 Q CA -0.131 55.729 55.803 0.096 0.000 0.891 102 Q CB 0.208 29.002 28.738 0.094 0.000 1.222 102 Q HN 0.676 nan 8.270 nan 0.000 0.483 103 L N 6.152 127.433 121.223 0.097 0.000 2.593 103 L HA 0.094 4.431 4.340 -0.005 0.000 0.287 103 L C -1.595 175.309 176.870 0.057 0.000 1.243 103 L CA -1.020 53.863 54.840 0.071 0.000 0.890 103 L CB -0.210 41.954 42.059 0.174 0.000 1.134 103 L HN 0.569 nan 8.230 nan 0.000 0.502 104 P HA 0.214 nan 4.420 nan 0.000 0.274 104 P C -2.573 174.776 177.300 0.081 0.000 1.237 104 P CA -1.487 61.607 63.100 -0.010 0.000 0.793 104 P CB -0.231 31.391 31.700 -0.130 0.000 0.977 105 P HA 0.136 nan 4.420 nan 0.000 0.271 105 P C 0.985 178.325 177.300 0.068 0.000 1.216 105 P CA -0.085 63.051 63.100 0.059 0.000 0.771 105 P CB 0.573 32.289 31.700 0.027 0.000 0.864 106 K N 2.776 123.191 120.400 0.025 0.000 2.063 106 K HA -0.199 4.118 4.320 -0.005 0.000 0.208 106 K C 1.783 178.363 176.600 -0.033 0.000 1.048 106 K CA 1.742 57.977 56.287 -0.087 0.000 0.928 106 K CB -0.477 31.796 32.500 -0.378 0.000 0.713 106 K HN 0.484 nan 8.250 nan 0.000 0.442 107 A N 0.850 123.655 122.820 -0.025 0.000 1.877 107 A HA -0.086 4.232 4.320 -0.005 0.000 0.216 107 A C 2.303 179.906 177.584 0.032 0.000 1.186 107 A CA 1.839 53.874 52.037 -0.003 0.000 0.620 107 A CB -0.784 18.211 19.000 -0.009 0.000 0.822 107 A HN 0.467 nan 8.150 nan 0.000 0.443 108 A N -0.243 122.596 122.820 0.031 0.000 1.930 108 A HA 0.232 4.549 4.320 -0.005 0.000 0.217 108 A C 2.482 180.106 177.584 0.067 0.000 1.175 108 A CA 1.857 53.916 52.037 0.037 0.000 0.627 108 A CB -0.962 18.044 19.000 0.010 0.000 0.815 108 A HN 1.010 nan 8.150 nan 0.000 0.443 109 A N -0.044 122.826 122.820 0.084 0.000 1.883 109 A HA -0.109 4.208 4.320 -0.005 0.000 0.217 109 A C 2.188 179.909 177.584 0.229 0.000 1.186 109 A CA 1.660 53.779 52.037 0.138 0.000 0.624 109 A CB -0.647 18.510 19.000 0.262 0.000 0.822 109 A HN 0.472 nan 8.150 nan 0.000 0.444 110 L N -1.000 120.354 121.223 0.217 0.000 2.072 110 L HA -0.136 4.201 4.340 -0.005 0.000 0.205 110 L C 3.113 180.064 176.870 0.136 0.000 1.079 110 L CA 0.914 55.875 54.840 0.201 0.000 0.752 110 L CB -0.555 41.592 42.059 0.146 0.000 0.906 110 L HN 0.436 nan 8.230 nan 0.000 0.436 111 A N -0.386 122.498 122.820 0.106 0.000 1.948 111 A HA -0.328 3.989 4.320 -0.005 0.000 0.220 111 A C 2.107 179.748 177.584 0.094 0.000 1.177 111 A CA 2.212 54.298 52.037 0.081 0.000 0.636 111 A CB -0.866 18.173 19.000 0.066 0.000 0.815 111 A HN 0.558 nan 8.150 nan 0.000 0.449 112 H N -0.247 118.843 119.070 0.033 0.000 2.326 112 H HA 0.033 4.586 4.556 -0.005 0.000 0.301 112 H C 1.686 177.036 175.328 0.036 0.000 1.081 112 H CA 1.954 58.014 56.048 0.020 0.000 1.334 112 H CB -0.253 29.505 29.762 -0.007 0.000 1.385 112 H HN 0.366 nan 8.280 nan 0.000 0.504 113 L N -0.201 121.016 121.223 -0.010 0.000 2.156 113 L HA -0.088 4.249 4.340 -0.005 0.000 0.208 113 L C 1.775 178.626 176.870 -0.033 0.000 1.095 113 L CA 1.106 55.925 54.840 -0.035 0.000 0.770 113 L CB -0.170 41.976 42.059 0.145 0.000 0.914 113 L HN 0.321 nan 8.230 nan 0.000 0.439 114 D N 0.083 120.488 120.400 0.009 0.000 2.154 114 D HA -0.071 4.566 4.640 -0.005 0.000 0.211 114 D C 1.857 178.148 176.300 -0.014 0.000 0.977 114 D CA 1.042 55.050 54.000 0.013 0.000 0.869 114 D CB -0.027 40.798 40.800 0.042 0.000 1.022 114 D HN 0.273 nan 8.370 nan 0.000 0.461 115 R N -0.061 120.431 120.500 -0.014 0.000 2.546 115 R HA 0.351 4.688 4.340 -0.005 0.000 0.320 115 R C 0.756 177.037 176.300 -0.031 0.000 1.021 115 R CA 0.411 56.502 56.100 -0.016 0.000 1.088 115 R CB 0.073 30.375 30.300 0.003 0.000 1.278 115 R HN 0.096 nan 8.270 nan 0.000 0.557 116 G N 1.455 110.204 108.800 -0.085 0.000 2.249 116 G HA2 -0.307 3.650 3.960 -0.005 0.000 0.273 116 G HA3 -0.307 3.650 3.960 -0.005 0.000 0.273 116 G C -0.180 174.733 174.900 0.021 0.000 1.036 116 G CA 0.519 45.557 45.100 -0.104 0.000 0.824 116 G HN 0.420 nan 8.290 nan 0.000 0.504 117 S N 1.539 117.277 115.700 0.064 0.000 2.573 117 S HA 0.423 4.890 4.470 -0.005 0.000 0.277 117 S C -1.398 173.324 174.600 0.203 0.000 1.346 117 S CA -0.478 57.784 58.200 0.103 0.000 1.034 117 S CB 0.917 64.166 63.200 0.081 0.000 0.879 117 S HN 0.388 nan 8.310 nan 0.000 0.528 118 P HA 0.065 nan 4.420 nan 0.000 0.263 118 P C -2.429 174.857 177.300 -0.023 0.000 1.175 118 P CA -0.890 62.247 63.100 0.062 0.000 0.761 118 P CB -0.794 30.916 31.700 0.015 0.000 0.794 119 P HA 0.160 nan 4.420 nan 0.000 0.272 119 P C -2.265 174.910 177.300 -0.208 0.000 1.223 119 P CA -1.332 61.487 63.100 -0.467 0.000 0.784 119 P CB -0.878 30.410 31.700 -0.688 0.000 0.923 120 P HA 0.102 nan 4.420 nan 0.000 0.271 120 P C -0.290 176.946 177.300 -0.106 0.000 1.218 120 P CA -0.184 62.857 63.100 -0.098 0.000 0.780 120 P CB 0.267 31.921 31.700 -0.076 0.000 0.901 121 A N 3.962 126.752 122.820 -0.051 0.000 2.598 121 A HA -0.075 4.242 4.320 -0.005 0.000 0.239 121 A C 0.721 178.271 177.584 -0.057 0.000 1.032 121 A CA 0.265 52.286 52.037 -0.028 0.000 0.760 121 A CB -0.448 18.591 19.000 0.065 0.000 0.946 121 A HN 0.375 nan 8.150 nan 0.000 0.512 122 R N 2.476 122.922 120.500 -0.091 0.000 2.351 122 R HA 0.174 4.511 4.340 -0.005 0.000 0.318 122 R C -0.113 176.138 176.300 -0.080 0.000 1.055 122 R CA 0.436 56.473 56.100 -0.106 0.000 0.968 122 R CB 0.081 30.302 30.300 -0.132 0.000 0.974 122 R HN 0.837 nan 8.270 nan 0.000 0.439 123 E N 0.954 121.126 120.200 -0.046 0.000 2.299 123 E HA 0.627 4.974 4.350 -0.005 0.000 0.265 123 E C -0.966 175.631 176.600 -0.005 0.000 0.911 123 E CA -1.007 55.383 56.400 -0.016 0.000 0.789 123 E CB 2.248 31.984 29.700 0.060 0.000 1.246 123 E HN 0.545 nan 8.360 nan 0.000 0.427 124 A N 1.616 124.438 122.820 0.003 0.000 2.356 124 A HA 0.643 4.960 4.320 -0.005 0.000 0.323 124 A C -1.316 176.320 177.584 0.086 0.000 1.119 124 A CA -0.640 51.417 52.037 0.034 0.000 0.790 124 A CB 0.899 19.905 19.000 0.010 0.000 1.273 124 A HN 0.472 nan 8.150 nan 0.000 0.452 125 L N 1.830 123.124 121.223 0.118 0.000 2.298 125 L HA 0.726 5.063 4.340 -0.005 0.000 0.284 125 L C 0.135 177.109 176.870 0.174 0.000 1.013 125 L CA 0.019 54.956 54.840 0.162 0.000 0.824 125 L CB 1.250 43.427 42.059 0.195 0.000 1.221 125 L HN 0.807 nan 8.230 nan 0.000 0.418 126 A N 6.339 129.264 122.820 0.176 0.000 2.276 126 A HA 0.658 4.975 4.320 -0.005 0.000 0.316 126 A C -0.484 177.233 177.584 0.222 0.000 1.229 126 A CA -0.472 51.668 52.037 0.172 0.000 0.851 126 A CB 0.262 19.344 19.000 0.137 0.000 1.165 126 A HN 0.711 nan 8.150 nan 0.000 0.513 127 I N 3.259 123.984 120.570 0.259 0.000 2.312 127 I HA 0.264 4.431 4.170 -0.005 0.000 0.291 127 I C -0.549 175.677 176.117 0.182 0.000 1.031 127 I CA -0.270 61.224 61.300 0.324 0.000 1.293 127 I CB 1.355 39.647 38.000 0.487 0.000 1.403 127 I HN 0.297 nan 8.210 nan 0.000 0.484 128 V N 7.253 127.256 119.914 0.148 0.000 2.459 128 V HA 0.358 4.475 4.120 -0.005 0.000 0.295 128 V C -0.112 176.043 176.094 0.101 0.000 1.029 128 V CA -0.556 61.701 62.300 -0.072 0.000 0.874 128 V CB 1.486 33.105 31.823 -0.341 0.000 0.985 128 V HN 0.422 nan 8.190 nan 0.000 0.438 129 F N 4.323 124.220 119.950 -0.088 0.000 2.390 129 F HA 0.413 4.937 4.527 -0.005 0.000 0.361 129 F C 0.100 175.914 175.800 0.024 0.000 1.124 129 F CA -0.466 57.571 58.000 0.062 0.000 1.149 129 F CB 0.619 39.684 39.000 0.108 0.000 1.160 129 F HN 0.424 nan 8.300 nan 0.000 0.501 130 F N 2.302 122.508 119.950 0.426 0.000 2.425 130 F HA 0.222 4.747 4.527 -0.005 0.000 0.354 130 F C 1.259 177.056 175.800 -0.004 0.000 1.162 130 F CA -0.316 57.796 58.000 0.187 0.000 1.250 130 F CB 0.725 39.790 39.000 0.109 0.000 1.579 130 F HN 0.593 nan 8.300 nan 0.000 0.589 131 G N 1.201 110.102 108.800 0.169 0.000 2.459 131 G HA2 -0.128 3.829 3.960 -0.005 0.000 0.213 131 G HA3 -0.128 3.829 3.960 -0.005 0.000 0.213 131 G C 1.143 176.027 174.900 -0.028 0.000 1.155 131 G CA -0.223 44.832 45.100 -0.076 0.000 0.811 131 G HN 0.298 nan 8.290 nan 0.000 0.534 132 R N 1.649 122.197 120.500 0.080 0.000 4.576 132 R HA 0.242 4.579 4.340 -0.005 0.000 0.185 132 R C 0.060 176.385 176.300 0.042 0.000 1.837 132 R CA -0.022 56.116 56.100 0.063 0.000 1.520 132 R CB -0.911 29.445 30.300 0.093 0.000 1.403 132 R HN 0.595 nan 8.270 nan 0.000 0.831 133 Q N -0.695 119.101 119.800 -0.007 0.000 2.578 133 Q HA 0.333 4.670 4.340 -0.005 0.000 0.284 133 Q C -2.345 173.626 176.000 -0.049 0.000 0.960 133 Q CA -1.785 54.003 55.803 -0.026 0.000 0.809 133 Q CB 1.406 30.123 28.738 -0.034 0.000 1.462 133 Q HN -0.029 nan 8.270 nan 0.000 0.392 134 P HA -0.216 nan 4.420 nan 0.000 0.217 134 P C -0.306 176.963 177.300 -0.053 0.000 1.151 134 P CA 1.460 64.536 63.100 -0.041 0.000 0.849 134 P CB 0.279 31.959 31.700 -0.033 0.000 0.787 135 Q N -0.435 119.327 119.800 -0.064 0.000 2.674 135 Q HA 0.339 4.676 4.340 -0.005 0.000 0.249 135 Q C -2.613 173.326 176.000 -0.102 0.000 1.011 135 Q CA -2.017 53.743 55.803 -0.072 0.000 0.734 135 Q CB 1.657 30.366 28.738 -0.048 0.000 1.201 135 Q HN 0.107 nan 8.270 nan 0.000 0.498 136 P HA -0.001 nan 4.420 nan 0.000 0.268 136 P C -1.025 176.168 177.300 -0.178 0.000 1.205 136 P CA 0.011 62.907 63.100 -0.341 0.000 0.771 136 P CB 0.620 31.819 31.700 -0.835 0.000 0.858 137 N N 0.575 119.288 118.700 0.022 0.000 2.647 137 N HA 0.505 5.242 4.740 -0.005 0.000 0.266 137 N C -1.694 174.052 175.510 0.393 0.000 1.373 137 N CA -1.106 52.060 53.050 0.194 0.000 0.807 137 N CB 1.195 39.741 38.487 0.099 0.000 1.513 137 N HN 0.167 nan 8.380 nan 0.000 0.505 138 V N -0.440 119.604 119.914 0.217 0.000 2.483 138 V HA 0.814 4.931 4.120 -0.005 0.000 0.295 138 V C -0.885 175.332 176.094 0.204 0.000 1.035 138 V CA -0.090 62.343 62.300 0.221 0.000 0.896 138 V CB 1.061 32.895 31.823 0.019 0.000 0.986 138 V HN 0.794 nan 8.190 nan 0.000 0.447 139 S N 4.436 120.344 115.700 0.346 0.000 2.536 139 S HA 0.578 5.046 4.470 -0.005 0.000 0.298 139 S C -0.823 173.968 174.600 0.320 0.000 1.083 139 S CA -0.660 57.740 58.200 0.335 0.000 0.995 139 S CB 1.638 65.132 63.200 0.490 0.000 1.058 139 S HN 0.909 nan 8.310 nan 0.000 0.488 140 E N 1.893 122.268 120.200 0.292 0.000 2.134 140 E HA 0.458 4.805 4.350 -0.005 0.000 0.278 140 E C -1.192 175.557 176.600 0.248 0.000 0.959 140 E CA -0.315 56.262 56.400 0.295 0.000 0.783 140 E CB 1.034 30.924 29.700 0.317 0.000 1.095 140 E HN 0.380 nan 8.360 nan 0.000 0.399 141 L N 3.403 124.769 121.223 0.238 0.000 2.372 141 L HA 0.395 4.732 4.340 -0.005 0.000 0.274 141 L C -0.637 176.352 176.870 0.199 0.000 0.988 141 L CA -1.105 53.867 54.840 0.220 0.000 0.833 141 L CB 1.668 43.868 42.059 0.235 0.000 1.236 141 L HN 0.266 nan 8.230 nan 0.000 0.410 142 V N 4.476 124.505 119.914 0.192 0.000 2.427 142 V HA 0.185 4.302 4.120 -0.005 0.000 0.268 142 V C 0.314 176.528 176.094 0.200 0.000 1.046 142 V CA -0.288 62.122 62.300 0.183 0.000 0.970 142 V CB 1.468 33.399 31.823 0.180 0.000 1.001 142 V HN 0.420 nan 8.190 nan 0.000 0.476 143 V N 4.755 124.737 119.914 0.113 0.000 2.483 143 V HA 0.974 5.091 4.120 -0.005 0.000 0.295 143 V C 0.603 176.554 176.094 -0.238 0.000 1.035 143 V CA 0.130 62.416 62.300 -0.024 0.000 0.896 143 V CB 1.317 33.138 31.823 -0.004 0.000 0.986 143 V HN 1.044 nan 8.190 nan 0.000 0.447 144 G N 4.962 113.317 108.800 -0.743 0.000 2.550 144 G HA2 0.709 4.666 3.960 -0.005 0.000 0.293 144 G HA3 0.709 4.666 3.960 -0.005 0.000 0.293 144 G C -3.477 170.548 174.900 -1.458 0.000 1.402 144 G CA -0.920 43.612 45.100 -0.947 0.000 0.784 144 G HN 0.498 nan 8.290 nan 0.000 0.482 145 P HA 0.622 nan 4.420 nan 0.000 0.281 145 P C -0.659 176.465 177.300 -0.292 0.000 1.281 145 P CA -0.689 62.209 63.100 -0.337 0.000 0.811 145 P CB 1.462 33.092 31.700 -0.118 0.000 1.154 146 L N 1.206 122.299 121.223 -0.216 0.000 2.334 146 L HA 0.400 4.737 4.340 -0.005 0.000 0.275 146 L C -1.220 175.519 176.870 -0.219 0.000 1.036 146 L CA -1.512 53.195 54.840 -0.222 0.000 0.807 146 L CB 1.130 43.076 42.059 -0.187 0.000 1.231 146 L HN 0.318 nan 8.230 nan 0.000 0.438 147 P HA 0.021 nan 4.420 nan 0.000 0.240 147 P C -0.303 176.658 177.300 -0.565 0.000 1.190 147 P CA 0.710 63.537 63.100 -0.455 0.000 0.781 147 P CB 0.315 31.673 31.700 -0.571 0.000 0.931 148 H N 0.301 119.289 119.070 -0.137 0.000 2.645 148 H HA 0.361 4.914 4.556 -0.005 0.000 0.257 148 H C -2.450 172.730 175.328 -0.247 0.000 1.269 148 H CA -2.688 53.273 56.048 -0.145 0.000 1.409 148 H CB 0.402 30.108 29.762 -0.093 0.000 1.434 148 H HN 0.079 nan 8.280 nan 0.000 0.505 149 P HA -0.006 nan 4.420 nan 0.000 0.268 149 P C 0.756 177.563 177.300 -0.820 0.000 1.204 149 P CA 0.232 62.926 63.100 -0.676 0.000 0.768 149 P CB 1.085 32.287 31.700 -0.830 0.000 0.842 150 S N 0.984 116.179 115.700 -0.843 0.000 2.648 150 S HA 0.152 4.619 4.470 -0.005 0.000 0.270 150 S C -0.007 174.538 174.600 -0.091 0.000 1.080 150 S CA -0.281 57.714 58.200 -0.343 0.000 1.159 150 S CB -0.324 62.835 63.200 -0.069 0.000 1.091 150 S HN 0.441 nan 8.310 nan 0.000 0.605 151 Y N 0.311 120.495 120.300 -0.194 0.000 2.602 151 Y HA 0.862 5.409 4.550 -0.005 0.000 0.342 151 Y C -0.715 175.248 175.900 0.104 0.000 1.029 151 Y CA -1.809 56.324 58.100 0.055 0.000 1.080 151 Y CB 1.331 39.810 38.460 0.033 0.000 1.284 151 Y HN 0.183 nan 8.280 nan 0.000 0.485 152 M N 2.938 122.830 119.600 0.486 0.000 2.238 152 M HA 0.591 5.068 4.480 -0.005 0.000 0.278 152 M C -2.231 174.253 176.300 0.306 0.000 1.040 152 M CA -0.485 55.055 55.300 0.399 0.000 0.969 152 M CB 1.792 34.658 32.600 0.444 0.000 1.694 152 M HN 0.963 nan 8.290 nan 0.000 0.472 153 R N 2.518 123.174 120.500 0.261 0.000 2.476 153 R HA 0.325 4.662 4.340 -0.005 0.000 0.305 153 R C -1.372 175.022 176.300 0.157 0.000 0.965 153 R CA -0.857 55.347 56.100 0.174 0.000 0.867 153 R CB 1.571 31.942 30.300 0.119 0.000 1.176 153 R HN 0.567 nan 8.270 nan 0.000 0.447 154 D N 2.963 123.445 120.400 0.136 0.000 2.346 154 D HA 0.014 4.651 4.640 -0.005 0.000 0.260 154 D C 0.875 177.238 176.300 0.104 0.000 1.252 154 D CA -0.010 54.070 54.000 0.134 0.000 0.895 154 D CB 1.261 42.129 40.800 0.112 0.000 1.097 154 D HN 0.394 nan 8.370 nan 0.000 0.489 155 V N 1.165 121.147 119.914 0.115 0.000 3.578 155 V HA 0.075 4.192 4.120 -0.005 0.000 0.290 155 V C 1.732 177.860 176.094 0.057 0.000 1.376 155 V CA 0.122 62.467 62.300 0.076 0.000 1.083 155 V CB -0.188 31.680 31.823 0.076 0.000 0.911 155 V HN 0.382 nan 8.190 nan 0.000 0.433 156 T N 1.924 116.543 114.554 0.109 0.000 2.635 156 T HA -0.205 4.142 4.350 -0.005 0.000 0.267 156 T C 1.915 176.664 174.700 0.082 0.000 1.040 156 T CA 2.393 64.583 62.100 0.150 0.000 1.156 156 T CB -0.354 68.616 68.868 0.171 0.000 0.863 156 T HN 0.441 nan 8.240 nan 0.000 0.430 157 V N 1.424 121.373 119.914 0.057 0.000 2.323 157 V HA -0.130 3.987 4.120 -0.005 0.000 0.244 157 V C 2.539 178.634 176.094 0.001 0.000 1.041 157 V CA 1.814 64.137 62.300 0.038 0.000 1.025 157 V CB -0.698 31.144 31.823 0.031 0.000 0.656 157 V HN 0.553 nan 8.190 nan 0.000 0.451 158 E N 0.472 120.665 120.200 -0.013 0.000 2.118 158 E HA -0.270 4.077 4.350 -0.005 0.000 0.195 158 E C 2.371 178.923 176.600 -0.079 0.000 0.992 158 E CA 1.592 57.974 56.400 -0.030 0.000 0.804 158 E CB 0.005 29.696 29.700 -0.016 0.000 0.741 158 E HN 0.559 nan 8.360 nan 0.000 0.458 159 R N -1.335 119.057 120.500 -0.179 0.000 2.140 159 R HA 0.047 4.384 4.340 -0.005 0.000 0.213 159 R C 1.573 177.602 176.300 -0.452 0.000 1.059 159 R CA 0.985 56.857 56.100 -0.381 0.000 1.000 159 R CB 0.179 30.100 30.300 -0.632 0.000 0.910 159 R HN 0.308 nan 8.270 nan 0.000 0.455 160 H N -1.910 117.189 119.070 0.050 0.000 3.058 160 H HA 0.286 4.839 4.556 -0.005 0.000 0.266 160 H C 1.044 176.386 175.328 0.024 0.000 1.135 160 H CA 0.652 56.723 56.048 0.038 0.000 1.174 160 H CB 1.597 31.372 29.762 0.021 0.000 1.581 160 H HN 0.411 nan 8.280 nan 0.000 0.553 161 G N 0.569 109.420 108.800 0.086 0.000 2.179 161 G HA2 -0.123 3.834 3.960 -0.005 0.000 0.260 161 G HA3 -0.123 3.834 3.960 -0.005 0.000 0.260 161 G C 0.637 175.568 174.900 0.053 0.000 0.977 161 G CA 0.366 45.500 45.100 0.057 0.000 0.641 161 G HN 0.934 nan 8.290 nan 0.000 0.533 162 G N -1.236 107.606 108.800 0.070 0.000 2.343 162 G HA2 0.605 4.562 3.960 -0.005 0.000 0.289 162 G HA3 0.605 4.562 3.960 -0.005 0.000 0.289 162 G C -2.983 171.949 174.900 0.053 0.000 1.295 162 G CA 0.135 45.264 45.100 0.048 0.000 0.869 162 G HN 0.632 nan 8.290 nan 0.000 0.522 163 P HA 0.258 nan 4.420 nan 0.000 0.267 163 P C -0.136 177.134 177.300 -0.049 0.000 1.200 163 P CA 0.005 63.107 63.100 0.003 0.000 0.772 163 P CB 0.675 32.370 31.700 -0.008 0.000 0.855 164 L N 4.965 126.127 121.223 -0.101 0.000 2.325 164 L HA 0.234 4.571 4.340 -0.005 0.000 0.284 164 L C -1.905 174.808 176.870 -0.261 0.000 1.089 164 L CA -1.986 52.683 54.840 -0.285 0.000 0.836 164 L CB 0.403 42.165 42.059 -0.494 0.000 1.184 164 L HN 0.183 nan 8.230 nan 0.000 0.444 165 P HA -0.100 nan 4.420 nan 0.000 0.266 165 P C 0.080 177.152 177.300 -0.379 0.000 1.195 165 P CA 0.017 62.939 63.100 -0.297 0.000 0.768 165 P CB 0.449 31.898 31.700 -0.419 0.000 0.838 166 Y N 2.978 123.079 120.300 -0.332 0.000 2.333 166 Y HA -0.237 4.310 4.550 -0.005 0.000 0.290 166 Y C 2.291 178.008 175.900 -0.306 0.000 1.144 166 Y CA 1.733 59.660 58.100 -0.288 0.000 1.228 166 Y CB -0.550 37.825 38.460 -0.141 0.000 0.985 166 Y HN 0.517 nan 8.280 nan 0.000 0.542 167 H N -1.682 117.328 119.070 -0.100 0.000 2.559 167 H HA 0.102 4.655 4.556 -0.005 0.000 0.273 167 H C 1.380 176.603 175.328 -0.175 0.000 1.000 167 H CA 0.637 56.594 56.048 -0.152 0.000 1.195 167 H CB -0.178 29.540 29.762 -0.073 0.000 1.368 167 H HN 0.322 nan 8.280 nan 0.000 0.592 168 R N 1.484 121.718 120.500 -0.443 0.000 2.297 168 R HA 0.058 4.396 4.340 -0.005 0.000 0.197 168 R C 0.690 176.884 176.300 -0.176 0.000 0.943 168 R CA -0.175 55.780 56.100 -0.241 0.000 1.038 168 R CB 0.247 30.355 30.300 -0.320 0.000 0.957 168 R HN 0.411 nan 8.270 nan 0.000 0.484 169 R N 2.312 122.552 120.500 -0.433 0.000 2.537 169 R HA 0.163 4.500 4.340 -0.005 0.000 0.280 169 R C -2.576 173.467 176.300 -0.429 0.000 1.058 169 R CA -1.734 54.010 56.100 -0.593 0.000 1.057 169 R CB -0.170 29.233 30.300 -1.495 0.000 0.973 169 R HN -0.264 nan 8.270 nan 0.000 0.438 170 P HA -0.103 nan 4.420 nan 0.000 0.265 170 P C -0.485 176.692 177.300 -0.206 0.000 1.187 170 P CA -0.113 62.817 63.100 -0.284 0.000 0.766 170 P CB 0.448 31.974 31.700 -0.291 0.000 0.820 171 V N 5.003 124.821 119.914 -0.159 0.000 2.485 171 V HA -0.044 4.073 4.120 -0.005 0.000 0.287 171 V C 0.958 176.983 176.094 -0.114 0.000 1.022 171 V CA 0.275 62.454 62.300 -0.201 0.000 1.067 171 V CB -0.507 31.058 31.823 -0.430 0.000 0.967 171 V HN 0.354 nan 8.190 nan 0.000 0.479 172 L N 4.771 125.998 121.223 0.008 0.000 2.464 172 L HA 0.259 4.596 4.340 -0.005 0.000 0.264 172 L C 1.328 178.346 176.870 0.248 0.000 1.199 172 L CA -0.000 54.934 54.840 0.158 0.000 0.818 172 L CB 0.201 42.416 42.059 0.260 0.000 1.102 172 L HN 0.542 nan 8.230 nan 0.000 0.473 173 F N -0.004 120.217 119.950 0.451 0.000 2.120 173 F HA -0.309 4.216 4.527 -0.005 0.000 0.300 173 F C 2.528 178.552 175.800 0.373 0.000 1.095 173 F CA 1.195 59.483 58.000 0.480 0.000 1.249 173 F CB -0.121 39.090 39.000 0.352 0.000 0.995 173 F HN 0.605 nan 8.300 nan 0.000 0.480 174 Q N 0.877 120.958 119.800 0.468 0.000 2.170 174 Q HA -0.217 4.120 4.340 -0.005 0.000 0.203 174 Q C 1.859 178.046 176.000 0.313 0.000 0.976 174 Q CA 1.662 57.668 55.803 0.339 0.000 0.858 174 Q CB -0.314 28.587 28.738 0.272 0.000 0.907 174 Q HN 0.498 nan 8.270 nan 0.000 0.433 175 E N -1.368 119.003 120.200 0.284 0.000 2.047 175 E HA -0.192 4.155 4.350 -0.005 0.000 0.191 175 E C 1.578 178.303 176.600 0.208 0.000 0.987 175 E CA 1.067 57.617 56.400 0.249 0.000 0.799 175 E CB -0.195 29.574 29.700 0.115 0.000 0.752 175 E HN 0.577 nan 8.360 nan 0.000 0.449 176 Y N 0.608 121.086 120.300 0.297 0.000 2.165 176 Y HA -0.232 4.315 4.550 -0.005 0.000 0.286 176 Y C 2.312 178.331 175.900 0.200 0.000 1.155 176 Y CA 0.870 59.122 58.100 0.254 0.000 1.164 176 Y CB -0.087 38.592 38.460 0.364 0.000 0.978 176 Y HN 0.090 nan 8.280 nan 0.000 0.513 177 L N -0.264 121.189 121.223 0.384 0.000 2.017 177 L HA -0.262 4.075 4.340 -0.005 0.000 0.208 177 L C 1.901 178.908 176.870 0.228 0.000 1.073 177 L CA 1.326 56.327 54.840 0.268 0.000 0.745 177 L CB -0.500 41.701 42.059 0.237 0.000 0.894 177 L HN 0.269 nan 8.230 nan 0.000 0.432 178 D N 0.130 120.686 120.400 0.259 0.000 2.144 178 D HA -0.162 4.475 4.640 -0.005 0.000 0.199 178 D C 2.235 178.733 176.300 0.330 0.000 0.984 178 D CA 1.232 55.388 54.000 0.260 0.000 0.834 178 D CB -0.105 40.858 40.800 0.273 0.000 0.955 178 D HN 0.343 nan 8.370 nan 0.000 0.465 179 I N 1.205 121.967 120.570 0.320 0.000 2.179 179 I HA -0.254 3.913 4.170 -0.005 0.000 0.242 179 I C 1.930 178.060 176.117 0.022 0.000 1.088 179 I CA 1.125 62.487 61.300 0.103 0.000 1.357 179 I CB -0.174 37.674 38.000 -0.254 0.000 1.051 179 I HN -0.142 nan 8.210 nan 0.000 0.409 180 D N 0.276 120.727 120.400 0.084 0.000 2.117 180 D HA -0.224 4.413 4.640 -0.005 0.000 0.197 180 D C 2.118 178.589 176.300 0.284 0.000 0.987 180 D CA 1.143 55.276 54.000 0.222 0.000 0.829 180 D CB -0.285 40.676 40.800 0.268 0.000 0.961 180 D HN 0.210 nan 8.370 nan 0.000 0.460 181 Q N 0.136 120.057 119.800 0.200 0.000 2.112 181 Q HA -0.133 4.204 4.340 -0.005 0.000 0.206 181 Q C 2.061 178.147 176.000 0.143 0.000 0.987 181 Q CA 1.229 57.130 55.803 0.163 0.000 0.858 181 Q CB -0.347 28.463 28.738 0.121 0.000 0.905 181 Q HN 0.357 nan 8.270 nan 0.000 0.420 182 M N -1.025 118.654 119.600 0.132 0.000 2.077 182 M HA -0.145 4.332 4.480 -0.005 0.000 0.261 182 M C 1.792 178.117 176.300 0.042 0.000 1.070 182 M CA 1.579 56.941 55.300 0.103 0.000 1.125 182 M CB -0.122 32.583 32.600 0.174 0.000 1.339 182 M HN 0.297 nan 8.290 nan 0.000 0.409 183 I N -0.233 120.320 120.570 -0.028 0.000 2.179 183 I HA -0.289 3.878 4.170 -0.005 0.000 0.242 183 I C 1.924 177.907 176.117 -0.224 0.000 1.088 183 I CA 1.521 62.699 61.300 -0.203 0.000 1.357 183 I CB -0.441 37.307 38.000 -0.419 0.000 1.051 183 I HN 0.220 nan 8.210 nan 0.000 0.409 184 F N 0.550 120.516 119.950 0.026 0.000 2.456 184 F HA -0.043 4.481 4.527 -0.005 0.000 0.298 184 F C 1.989 177.829 175.800 0.066 0.000 1.104 184 F CA 1.122 59.156 58.000 0.057 0.000 1.435 184 F CB -0.366 38.663 39.000 0.050 0.000 1.078 184 F HN 0.094 nan 8.300 nan 0.000 0.546 185 N N -1.042 117.774 118.700 0.194 0.000 2.454 185 N HA 0.099 4.836 4.740 -0.005 0.000 0.177 185 N C 1.553 177.113 175.510 0.084 0.000 1.049 185 N CA 0.101 53.232 53.050 0.134 0.000 0.887 185 N CB 0.241 38.794 38.487 0.110 0.000 1.095 185 N HN 0.048 nan 8.380 nan 0.000 0.446 186 R N -0.069 120.465 120.500 0.058 0.000 2.279 186 R HA 0.209 4.546 4.340 -0.005 0.000 0.195 186 R C 0.888 177.192 176.300 0.007 0.000 0.905 186 R CA 0.525 56.645 56.100 0.033 0.000 1.044 186 R CB 0.524 30.843 30.300 0.032 0.000 1.056 186 R HN 0.158 nan 8.270 nan 0.000 0.535 187 E N 0.669 120.860 120.200 -0.016 0.000 2.192 187 E HA 0.101 4.448 4.350 -0.005 0.000 0.196 187 E C 2.106 178.647 176.600 -0.098 0.000 0.922 187 E CA 0.285 56.651 56.400 -0.058 0.000 0.924 187 E CB 0.028 29.683 29.700 -0.076 0.000 0.911 187 E HN 0.105 nan 8.360 nan 0.000 0.478 188 L N 1.474 122.622 121.223 -0.125 0.000 2.046 188 L HA -0.108 4.229 4.340 -0.005 0.000 0.208 188 L C -0.540 176.235 176.870 -0.158 0.000 1.077 188 L CA 1.269 56.000 54.840 -0.182 0.000 0.747 188 L CB -1.731 40.219 42.059 -0.182 0.000 0.896 188 L HN 0.071 nan 8.230 nan 0.000 0.432 189 P HA -0.238 nan 4.420 nan 0.000 0.218 189 P C 1.411 178.683 177.300 -0.047 0.000 1.150 189 P CA 1.449 64.577 63.100 0.047 0.000 0.841 189 P CB -0.038 31.711 31.700 0.082 0.000 0.784 190 Q N -1.433 118.322 119.800 -0.074 0.000 2.291 190 Q HA 0.005 4.342 4.340 -0.005 0.000 0.205 190 Q C 1.548 177.464 176.000 -0.140 0.000 0.970 190 Q CA 1.198 56.950 55.803 -0.086 0.000 0.876 190 Q CB -0.296 28.399 28.738 -0.072 0.000 0.935 190 Q HN 0.194 nan 8.270 nan 0.000 0.455 191 A N -0.181 122.506 122.820 -0.222 0.000 2.545 191 A HA 0.162 4.479 4.320 -0.005 0.000 0.277 191 A C 1.596 178.951 177.584 -0.381 0.000 1.301 191 A CA -0.087 51.764 52.037 -0.311 0.000 0.935 191 A CB 0.090 18.857 19.000 -0.389 0.000 1.093 191 A HN 0.155 nan 8.150 nan 0.000 0.519 192 S N 0.218 115.744 115.700 -0.291 0.000 2.380 192 S HA -0.181 4.286 4.470 -0.005 0.000 0.229 192 S C 2.034 176.530 174.600 -0.174 0.000 1.043 192 S CA 2.320 60.368 58.200 -0.254 0.000 1.038 192 S CB -0.334 62.834 63.200 -0.055 0.000 0.872 192 S HN 0.764 nan 8.310 nan 0.000 0.456 193 G N 1.426 110.151 108.800 -0.125 0.000 2.453 193 G HA2 -0.161 3.796 3.960 -0.005 0.000 0.215 193 G HA3 -0.161 3.796 3.960 -0.005 0.000 0.215 193 G C 1.371 176.147 174.900 -0.207 0.000 1.201 193 G CA 1.052 46.145 45.100 -0.011 0.000 0.784 193 G HN 0.524 nan 8.290 nan 0.000 0.545 194 L N 0.560 121.415 121.223 -0.613 0.000 2.012 194 L HA 0.005 4.342 4.340 -0.005 0.000 0.210 194 L C 2.697 179.147 176.870 -0.700 0.000 1.073 194 L CA 1.593 55.690 54.840 -1.239 0.000 0.748 194 L CB -0.503 40.891 42.059 -1.109 0.000 0.891 194 L HN 0.227 nan 8.230 nan 0.000 0.431 195 L N -1.265 119.643 121.223 -0.526 0.000 2.093 195 L HA -0.221 4.116 4.340 -0.005 0.000 0.208 195 L C 2.638 179.424 176.870 -0.139 0.000 1.085 195 L CA 1.362 55.960 54.840 -0.404 0.000 0.755 195 L CB -0.836 40.802 42.059 -0.702 0.000 0.904 195 L HN 0.457 nan 8.230 nan 0.000 0.435 196 H N -0.641 118.348 119.070 -0.135 0.000 2.319 196 H HA -0.281 4.272 4.556 -0.005 0.000 0.297 196 H C 2.312 177.606 175.328 -0.056 0.000 1.097 196 H CA 2.401 58.455 56.048 0.010 0.000 1.285 196 H CB -0.061 29.726 29.762 0.043 0.000 1.368 196 H HN 0.345 nan 8.280 nan 0.000 0.495 197 H N -0.853 118.072 119.070 -0.242 0.000 2.363 197 H HA -0.062 4.491 4.556 -0.005 0.000 0.301 197 H C 2.516 177.655 175.328 -0.315 0.000 1.074 197 H CA 2.085 57.974 56.048 -0.265 0.000 1.354 197 H CB -0.442 29.263 29.762 -0.095 0.000 1.397 197 H HN 0.587 nan 8.280 nan 0.000 0.516 198 C N -2.093 117.040 119.300 -0.278 0.000 2.512 198 C HA 0.273 4.730 4.460 -0.005 0.000 0.276 198 C C 1.806 176.654 174.990 -0.237 0.000 1.368 198 C CA 0.124 58.995 59.018 -0.245 0.000 1.755 198 C CB -0.756 26.926 27.740 -0.096 0.000 2.008 198 C HN 0.622 nan 8.230 nan 0.000 0.511 199 C N -1.124 118.062 119.300 -0.190 0.000 3.486 199 C HA 0.487 4.944 4.460 -0.005 0.000 0.264 199 C C 0.278 175.494 174.990 0.377 0.000 1.756 199 C CA -0.593 58.533 59.018 0.181 0.000 1.764 199 C CB -2.135 25.681 27.740 0.127 0.000 3.238 199 C HN 0.588 nan 8.230 nan 0.000 0.524 200 F N -0.752 119.278 119.950 0.133 0.000 3.090 200 F HA -0.247 4.278 4.527 -0.004 0.000 0.282 200 F C 0.432 176.341 175.800 0.180 0.000 0.923 200 F CA 0.439 58.493 58.000 0.090 0.000 0.977 200 F CB -2.237 36.773 39.000 0.018 0.000 0.954 200 F HN 0.536 nan 8.300 nan 0.000 0.695 201 Y N 2.300 122.705 120.300 0.176 0.000 2.346 201 Y HA 0.519 5.066 4.550 -0.005 0.000 0.330 201 Y C 0.383 176.394 175.900 0.185 0.000 1.178 201 Y CA -0.428 57.773 58.100 0.169 0.000 1.331 201 Y CB 0.561 39.081 38.460 0.101 0.000 1.253 201 Y HN -0.049 nan 8.280 nan 0.000 0.529 202 K N 4.321 124.527 120.400 -0.323 0.000 2.395 202 K HA 0.223 4.540 4.320 -0.005 0.000 0.247 202 K C 0.874 177.205 176.600 -0.449 0.000 0.973 202 K CA -0.773 55.394 56.287 -0.200 0.000 0.828 202 K CB 0.987 33.481 32.500 -0.009 0.000 1.272 202 K HN 0.908 nan 8.250 nan 0.000 0.439 203 H N 1.471 120.396 119.070 -0.242 0.000 2.306 203 H HA -0.243 4.310 4.556 -0.005 0.000 0.289 203 H C 1.692 176.910 175.328 -0.183 0.000 1.081 203 H CA 2.300 58.251 56.048 -0.162 0.000 1.163 203 H CB 0.171 29.891 29.762 -0.071 0.000 1.357 203 H HN 0.389 nan 8.280 nan 0.000 0.524 204 R N -0.245 120.263 120.500 0.013 0.000 2.054 204 R HA 0.050 4.387 4.340 -0.005 0.000 0.223 204 R C 2.312 178.543 176.300 -0.115 0.000 1.176 204 R CA 0.671 56.746 56.100 -0.040 0.000 0.934 204 R CB -0.531 29.751 30.300 -0.030 0.000 0.828 204 R HN 0.493 nan 8.270 nan 0.000 0.441 205 G N 1.145 109.879 108.800 -0.110 0.000 5.218 205 G HA2 -0.433 3.524 3.960 -0.005 0.000 0.342 205 G HA3 -0.433 3.524 3.960 -0.005 0.000 0.342 205 G C 0.183 175.013 174.900 -0.117 0.000 1.391 205 G CA 0.749 45.774 45.100 -0.124 0.000 1.096 205 G HN 0.349 nan 8.290 nan 0.000 0.831 206 R N 0.708 121.122 120.500 -0.143 0.000 3.416 206 R HA -0.202 4.135 4.340 -0.005 0.000 0.263 206 R C 1.209 177.420 176.300 -0.149 0.000 1.053 206 R CA 1.359 57.303 56.100 -0.259 0.000 0.705 206 R CB -2.394 27.691 30.300 -0.357 0.000 1.124 206 R HN 1.070 nan 8.270 nan 0.000 0.444 207 N N 0.090 118.793 118.700 0.006 0.000 2.398 207 N HA -0.032 4.705 4.740 -0.005 0.000 0.188 207 N C 0.462 176.082 175.510 0.183 0.000 1.122 207 N CA 0.267 53.367 53.050 0.083 0.000 0.866 207 N CB 0.369 38.935 38.487 0.133 0.000 0.970 207 N HN 0.346 nan 8.380 nan 0.000 0.462 208 L N 0.956 122.310 121.223 0.219 0.000 2.334 208 L HA 0.575 4.912 4.340 -0.005 0.000 0.272 208 L C -0.028 176.977 176.870 0.226 0.000 1.020 208 L CA -1.289 53.716 54.840 0.274 0.000 0.812 208 L CB 2.039 44.326 42.059 0.379 0.000 1.264 208 L HN -0.113 nan 8.230 nan 0.000 0.439 209 V N -2.030 117.962 119.914 0.129 0.000 3.040 209 V HA 0.795 4.912 4.120 -0.005 0.000 0.312 209 V C -0.159 175.986 176.094 0.085 0.000 1.115 209 V CA -0.592 61.719 62.300 0.018 0.000 0.998 209 V CB 1.759 33.350 31.823 -0.388 0.000 1.042 209 V HN 0.834 nan 8.190 nan 0.000 0.433 210 T N 0.525 115.155 114.554 0.126 0.000 2.943 210 T HA 0.765 5.112 4.350 -0.005 0.000 0.284 210 T C -0.471 174.397 174.700 0.279 0.000 1.015 210 T CA -0.638 61.617 62.100 0.258 0.000 1.042 210 T CB 1.744 70.764 68.868 0.253 0.000 1.055 210 T HN 0.990 nan 8.240 nan 0.000 0.500 211 M N 2.154 122.060 119.600 0.510 0.000 2.213 211 M HA 0.335 4.812 4.480 -0.005 0.000 0.286 211 M C -0.094 176.437 176.300 0.385 0.000 1.008 211 M CA -0.541 55.029 55.300 0.450 0.000 0.937 211 M CB 2.234 35.100 32.600 0.444 0.000 1.600 211 M HN 0.953 nan 8.290 nan 0.000 0.450 212 T N 2.630 117.335 114.554 0.250 0.000 2.903 212 T HA 0.310 4.657 4.350 -0.005 0.000 0.314 212 T C 0.243 174.993 174.700 0.083 0.000 1.078 212 T CA 0.285 62.329 62.100 -0.093 0.000 1.114 212 T CB 0.351 69.368 68.868 0.249 0.000 0.987 212 T HN 0.845 nan 8.240 nan 0.000 0.548 213 T N 0.529 115.065 114.554 -0.030 0.000 2.804 213 T HA 0.883 5.230 4.350 -0.005 0.000 0.272 213 T C -0.593 174.151 174.700 0.073 0.000 0.986 213 T CA -0.492 61.611 62.100 0.006 0.000 0.999 213 T CB 1.488 70.303 68.868 -0.088 0.000 1.307 213 T HN 1.047 nan 8.240 nan 0.000 0.586 214 A N 0.701 123.459 122.820 -0.103 0.000 2.599 214 A HA 0.774 5.091 4.320 -0.005 0.000 0.294 214 A C -3.140 174.401 177.584 -0.071 0.000 1.055 214 A CA -1.454 50.607 52.037 0.040 0.000 0.683 214 A CB 0.778 19.955 19.000 0.295 0.000 1.278 214 A HN 0.692 nan 8.150 nan 0.000 0.412 215 P HA 0.363 nan 4.420 nan 0.000 0.286 215 P C -0.851 176.562 177.300 0.189 0.000 1.293 215 P CA -0.224 62.923 63.100 0.077 0.000 0.770 215 P CB 0.476 32.127 31.700 -0.081 0.000 1.206 216 R N 0.019 120.670 120.500 0.253 0.000 3.050 216 R HA 0.629 4.966 4.340 -0.005 0.000 0.275 216 R C 0.546 176.964 176.300 0.196 0.000 1.373 216 R CA -0.365 55.849 56.100 0.191 0.000 1.612 216 R CB 0.124 30.489 30.300 0.109 0.000 1.218 216 R HN 0.854 nan 8.270 nan 0.000 0.621 217 G N 0.359 109.304 108.800 0.241 0.000 2.280 217 G HA2 -0.138 3.819 3.960 -0.005 0.000 0.277 217 G HA3 -0.138 3.819 3.960 -0.005 0.000 0.277 217 G C -0.316 174.624 174.900 0.066 0.000 1.288 217 G CA -0.925 44.212 45.100 0.061 0.000 1.075 217 G HN 0.283 nan 8.290 nan 0.000 0.480 218 L N 0.705 121.712 121.223 -0.360 0.000 3.039 218 L HA 0.433 4.770 4.340 -0.005 0.000 0.269 218 L C 0.704 176.908 176.870 -1.110 0.000 1.169 218 L CA 0.468 55.084 54.840 -0.374 0.000 0.986 218 L CB 0.620 42.587 42.059 -0.153 0.000 1.377 218 L HN 0.866 nan 8.230 nan 0.000 0.575 219 Q N -1.356 117.420 119.800 -1.706 0.000 2.630 219 Q HA 0.321 4.658 4.340 -0.005 0.000 0.295 219 Q C -0.940 174.357 176.000 -1.172 0.000 0.944 219 Q CA -0.684 54.147 55.803 -1.620 0.000 0.766 219 Q CB 1.630 29.945 28.738 -0.707 0.000 1.471 219 Q HN -0.122 nan 8.270 nan 0.000 0.416 220 S N -0.726 114.689 115.700 -0.475 0.000 2.544 220 S HA 0.388 4.855 4.470 -0.005 0.000 0.290 220 S C 1.058 175.451 174.600 -0.344 0.000 1.276 220 S CA 1.769 59.907 58.200 -0.103 0.000 1.075 220 S CB -0.681 62.565 63.200 0.076 0.000 0.849 220 S HN 1.307 nan 8.310 nan 0.000 0.494 221 G N 4.154 112.580 108.800 -0.623 0.000 2.195 221 G HA2 -0.174 3.783 3.960 -0.005 0.000 0.224 221 G HA3 -0.174 3.783 3.960 -0.005 0.000 0.224 221 G C -0.297 174.276 174.900 -0.545 0.000 0.990 221 G CA -0.005 44.479 45.100 -1.026 0.000 0.639 221 G HN 0.677 nan 8.290 nan 0.000 0.514 222 D N -0.108 120.053 120.400 -0.398 0.000 2.372 222 D HA 0.561 5.198 4.640 -0.005 0.000 0.243 222 D C 0.952 177.139 176.300 -0.188 0.000 1.121 222 D CA 0.115 53.945 54.000 -0.283 0.000 0.898 222 D CB 0.828 41.432 40.800 -0.326 0.000 1.202 222 D HN 0.317 nan 8.370 nan 0.000 0.428 223 R N 0.618 120.986 120.500 -0.222 0.000 2.593 223 R HA 0.477 4.814 4.340 -0.005 0.000 0.258 223 R C -1.557 174.484 176.300 -0.432 0.000 1.410 223 R CA -0.302 55.605 56.100 -0.322 0.000 1.537 223 R CB 0.369 30.423 30.300 -0.409 0.000 1.362 223 R HN 0.378 nan 8.270 nan 0.000 0.734 224 A N 1.184 123.890 122.820 -0.191 0.000 2.293 224 A HA 0.495 4.812 4.320 -0.005 0.000 0.312 224 A C -0.491 177.083 177.584 -0.016 0.000 1.309 224 A CA -0.379 51.592 52.037 -0.111 0.000 0.839 224 A CB 1.251 20.161 19.000 -0.149 0.000 1.155 224 A HN 0.244 nan 8.150 nan 0.000 0.501 225 T N 2.088 116.715 114.554 0.121 0.000 2.829 225 T HA 0.351 4.698 4.350 -0.005 0.000 0.282 225 T C -0.607 174.071 174.700 -0.038 0.000 0.990 225 T CA 0.107 62.243 62.100 0.060 0.000 1.028 225 T CB 0.468 69.362 68.868 0.042 0.000 0.951 225 T HN 0.592 nan 8.240 nan 0.000 0.460 226 W N 3.184 124.460 121.300 -0.039 0.000 2.437 226 W HA 0.468 5.125 4.660 -0.005 0.000 0.312 226 W C -0.598 175.870 176.519 -0.086 0.000 1.242 226 W CA -0.766 56.586 57.345 0.011 0.000 1.340 226 W CB 0.181 29.642 29.460 0.002 0.000 1.327 226 W HN 0.535 nan 8.180 nan 0.000 0.476 227 F N 2.814 122.963 119.950 0.332 0.000 2.415 227 F HA 0.525 5.049 4.527 -0.005 0.000 0.348 227 F C 1.063 177.011 175.800 0.246 0.000 1.119 227 F CA -0.650 57.507 58.000 0.261 0.000 1.069 227 F CB 1.007 40.103 39.000 0.159 0.000 1.124 227 F HN 0.282 nan 8.300 nan 0.000 0.472 228 G N 3.394 112.424 108.800 0.384 0.000 2.451 228 G HA2 0.608 4.565 3.960 -0.005 0.000 0.303 228 G HA3 0.608 4.565 3.960 -0.005 0.000 0.303 228 G C -1.354 173.500 174.900 -0.078 0.000 1.166 228 G CA -0.534 44.619 45.100 0.089 0.000 0.884 228 G HN 0.504 nan 8.290 nan 0.000 0.514 229 L N 0.525 121.451 121.223 -0.495 0.000 2.346 229 L HA 0.562 4.899 4.340 -0.005 0.000 0.276 229 L C -1.126 175.354 176.870 -0.649 0.000 1.006 229 L CA -0.616 54.026 54.840 -0.331 0.000 0.817 229 L CB 1.789 43.738 42.059 -0.185 0.000 1.272 229 L HN 0.508 nan 8.230 nan 0.000 0.421 230 Y N 0.966 121.154 120.300 -0.186 0.000 2.553 230 Y HA 0.438 4.986 4.550 -0.005 0.000 0.347 230 Y C -0.741 175.121 175.900 -0.064 0.000 1.019 230 Y CA -1.052 56.970 58.100 -0.130 0.000 1.032 230 Y CB 1.196 39.686 38.460 0.051 0.000 1.284 230 Y HN 0.251 nan 8.280 nan 0.000 0.466 231 Y N 1.349 121.810 120.300 0.268 0.000 2.632 231 Y HA -0.038 4.509 4.550 -0.005 0.000 0.329 231 Y C 0.906 176.871 175.900 0.107 0.000 1.174 231 Y CA -0.320 57.889 58.100 0.182 0.000 1.469 231 Y CB 0.019 38.596 38.460 0.195 0.000 1.242 231 Y HN 0.494 nan 8.280 nan 0.000 0.540 232 N N 4.436 123.256 118.700 0.200 0.000 2.454 232 N HA 0.004 4.741 4.740 -0.005 0.000 0.285 232 N C -0.954 174.601 175.510 0.076 0.000 1.233 232 N CA 0.009 53.093 53.050 0.055 0.000 1.036 232 N CB -0.311 38.170 38.487 -0.011 0.000 1.423 232 N HN 0.345 nan 8.380 nan 0.000 0.495 233 I N 1.490 122.124 120.570 0.108 0.000 2.416 233 I HA 0.008 4.175 4.170 -0.005 0.000 0.288 233 I C 0.860 177.007 176.117 0.049 0.000 1.051 233 I CA -0.286 61.062 61.300 0.079 0.000 1.375 233 I CB 0.462 38.517 38.000 0.092 0.000 1.407 233 I HN 0.381 nan 8.210 nan 0.000 0.516 234 S N 5.115 120.831 115.700 0.027 0.000 2.443 234 S HA 0.364 4.831 4.470 -0.005 0.000 0.284 234 S C 1.096 175.711 174.600 0.025 0.000 1.206 234 S CA 0.375 58.580 58.200 0.008 0.000 1.074 234 S CB -0.383 62.807 63.200 -0.016 0.000 0.963 234 S HN 1.075 nan 8.310 nan 0.000 0.501 235 G N 2.918 111.729 108.800 0.018 0.000 2.143 235 G HA2 0.049 4.006 3.960 -0.005 0.000 0.248 235 G HA3 0.049 4.006 3.960 -0.005 0.000 0.248 235 G C 0.131 175.075 174.900 0.073 0.000 0.991 235 G CA -0.027 45.088 45.100 0.025 0.000 0.689 235 G HN 1.559 nan 8.290 nan 0.000 0.522 236 A N -1.623 121.248 122.820 0.086 0.000 2.564 236 A HA 0.917 5.234 4.320 -0.005 0.000 0.291 236 A C 0.401 177.983 177.584 -0.003 0.000 1.102 236 A CA 0.382 52.498 52.037 0.132 0.000 0.660 236 A CB 0.211 19.327 19.000 0.195 0.000 1.283 236 A HN 1.902 nan 8.150 nan 0.000 0.430 237 G N -0.028 108.658 108.800 -0.190 0.000 2.334 237 G HA2 0.409 4.366 3.960 -0.005 0.000 0.261 237 G HA3 0.409 4.366 3.960 -0.005 0.000 0.261 237 G C 0.450 175.015 174.900 -0.559 0.000 1.257 237 G CA 0.463 45.021 45.100 -0.903 0.000 0.935 237 G HN 1.414 nan 8.290 nan 0.000 0.480 238 F N 1.586 121.094 119.950 -0.737 0.000 2.661 238 F HA 0.177 4.701 4.527 -0.005 0.000 0.298 238 F C 1.498 177.021 175.800 -0.461 0.000 1.137 238 F CA -0.421 57.304 58.000 -0.459 0.000 1.454 238 F CB -0.550 38.162 39.000 -0.480 0.000 1.103 238 F HN 0.362 nan 8.300 nan 0.000 0.577 239 F N 1.025 120.519 119.950 -0.760 0.000 2.451 239 F HA 0.024 4.548 4.527 -0.005 0.000 0.299 239 F C 1.575 177.287 175.800 -0.147 0.000 1.101 239 F CA 0.686 58.329 58.000 -0.595 0.000 1.436 239 F CB -0.776 37.819 39.000 -0.676 0.000 1.074 239 F HN 0.032 nan 8.300 nan 0.000 0.553 240 L N -0.067 121.079 121.223 -0.128 0.000 2.629 240 L HA 0.091 4.428 4.340 -0.005 0.000 0.230 240 L C 0.102 176.640 176.870 -0.552 0.000 1.151 240 L CA 0.227 54.866 54.840 -0.335 0.000 0.924 240 L CB -0.352 41.396 42.059 -0.518 0.000 1.137 240 L HN 0.230 nan 8.230 nan 0.000 0.457 241 H N -1.260 117.972 119.070 0.269 0.000 2.535 241 H HA 0.225 4.778 4.556 -0.005 0.000 0.232 241 H C -0.512 175.022 175.328 0.344 0.000 1.405 241 H CA -0.407 55.820 56.048 0.299 0.000 1.224 241 H CB 0.281 30.222 29.762 0.297 0.000 1.763 241 H HN 0.078 nan 8.280 nan 0.000 0.529 242 H N 2.241 121.473 119.070 0.270 0.000 2.848 242 H HA 0.026 4.579 4.556 -0.005 0.000 0.317 242 H C 1.339 176.610 175.328 -0.096 0.000 1.046 242 H CA 0.148 56.154 56.048 -0.070 0.000 1.470 242 H CB 1.389 31.153 29.762 0.002 0.000 1.483 242 H HN 0.329 nan 8.280 nan 0.000 0.548 243 V N 2.250 122.031 119.914 -0.221 0.000 3.461 243 V HA 0.182 4.299 4.120 -0.005 0.000 0.267 243 V C 1.347 177.300 176.094 -0.235 0.000 1.186 243 V CA 0.934 63.075 62.300 -0.265 0.000 1.154 243 V CB -0.190 31.370 31.823 -0.438 0.000 0.802 243 V HN 0.985 nan 8.190 nan 0.000 0.474 244 G N -0.028 108.808 108.800 0.060 0.000 2.159 244 G HA2 -0.198 3.759 3.960 -0.005 0.000 0.227 244 G HA3 -0.198 3.759 3.960 -0.005 0.000 0.227 244 G C -0.428 174.443 174.900 -0.048 0.000 0.986 244 G CA 0.180 45.172 45.100 -0.179 0.000 0.651 244 G HN 0.759 nan 8.290 nan 0.000 0.523 245 L N 1.103 122.398 121.223 0.120 0.000 2.322 245 L HA 0.842 5.179 4.340 -0.005 0.000 0.281 245 L C -0.250 176.748 176.870 0.213 0.000 1.014 245 L CA -0.798 54.163 54.840 0.202 0.000 0.815 245 L CB 1.306 43.431 42.059 0.109 0.000 1.247 245 L HN 0.243 nan 8.230 nan 0.000 0.421 246 E N 5.403 125.803 120.200 0.334 0.000 2.317 246 E HA 0.603 4.950 4.350 -0.005 0.000 0.270 246 E C -1.528 175.403 176.600 0.552 0.000 0.885 246 E CA -0.730 55.916 56.400 0.410 0.000 0.760 246 E CB 2.569 32.481 29.700 0.353 0.000 1.227 246 E HN 0.464 nan 8.360 nan 0.000 0.434 247 L N 2.715 124.249 121.223 0.519 0.000 2.406 247 L HA 0.351 4.688 4.340 -0.005 0.000 0.272 247 L C -1.074 175.807 176.870 0.019 0.000 0.980 247 L CA -1.032 53.971 54.840 0.271 0.000 0.831 247 L CB 1.480 43.614 42.059 0.126 0.000 1.253 247 L HN 0.313 nan 8.230 nan 0.000 0.406 248 L N 5.160 126.005 121.223 -0.630 0.000 2.342 248 L HA 0.341 4.678 4.340 -0.005 0.000 0.285 248 L C -0.412 176.244 176.870 -0.356 0.000 1.095 248 L CA 0.176 54.405 54.840 -1.018 0.000 0.843 248 L CB 0.995 42.092 42.059 -1.605 0.000 1.201 248 L HN 0.276 nan 8.230 nan 0.000 0.445 249 V N 5.209 125.052 119.914 -0.118 0.000 2.370 249 V HA 0.348 4.466 4.120 -0.005 0.000 0.279 249 V C 0.145 176.256 176.094 0.029 0.000 1.029 249 V CA -0.772 61.532 62.300 0.007 0.000 0.870 249 V CB 1.361 33.237 31.823 0.089 0.000 0.984 249 V HN 0.755 nan 8.190 nan 0.000 0.451 250 N N 3.592 122.267 118.700 -0.042 0.000 2.469 250 N HA 0.196 4.933 4.740 -0.005 0.000 0.239 250 N C 0.245 175.612 175.510 -0.238 0.000 1.053 250 N CA -0.424 52.561 53.050 -0.107 0.000 0.937 250 N CB 0.308 38.745 38.487 -0.083 0.000 1.163 250 N HN 0.860 nan 8.380 nan 0.000 0.509 251 H N 0.847 119.562 119.070 -0.591 0.000 2.467 251 H HA 0.318 4.871 4.556 -0.005 0.000 0.275 251 H C 1.226 176.098 175.328 -0.759 0.000 1.131 251 H CA -0.613 54.571 56.048 -1.441 0.000 0.989 251 H CB 0.606 29.337 29.762 -1.718 0.000 1.696 251 H HN 0.377 nan 8.280 nan 0.000 0.574 252 K N 1.317 121.463 120.400 -0.424 0.000 2.057 252 K HA 0.064 4.381 4.320 -0.005 0.000 0.206 252 K C 0.987 177.673 176.600 0.143 0.000 1.050 252 K CA 0.697 56.892 56.287 -0.153 0.000 0.935 252 K CB -0.137 32.290 32.500 -0.122 0.000 0.715 252 K HN 0.410 nan 8.250 nan 0.000 0.439 253 A N 1.175 124.188 122.820 0.323 0.000 2.520 253 A HA 0.027 4.344 4.320 -0.005 0.000 0.235 253 A C 1.083 178.922 177.584 0.425 0.000 1.065 253 A CA 0.027 52.276 52.037 0.353 0.000 0.764 253 A CB 0.121 19.316 19.000 0.325 0.000 1.002 253 A HN 0.409 nan 8.150 nan 0.000 0.502 254 L N 0.134 121.498 121.223 0.235 0.000 2.376 254 L HA -0.003 4.334 4.340 -0.005 0.000 0.219 254 L C 0.514 177.442 176.870 0.097 0.000 1.133 254 L CA 0.642 55.599 54.840 0.196 0.000 0.816 254 L CB -0.247 41.881 42.059 0.115 0.000 0.933 254 L HN 0.730 nan 8.230 nan 0.000 0.449 255 D N -0.107 120.304 120.400 0.017 0.000 2.373 255 D HA 0.181 4.818 4.640 -0.005 0.000 0.227 255 D C -1.804 174.242 176.300 -0.423 0.000 1.091 255 D CA -2.406 51.514 54.000 -0.135 0.000 0.840 255 D CB 1.748 42.497 40.800 -0.084 0.000 1.060 255 D HN -0.211 nan 8.370 nan 0.000 0.502 256 P HA -0.091 nan 4.420 nan 0.000 0.221 256 P C 0.955 177.726 177.300 -0.882 0.000 1.145 256 P CA 0.956 63.036 63.100 -1.700 0.000 0.795 256 P CB 0.218 31.137 31.700 -1.302 0.000 0.775 257 A N 0.373 122.934 122.820 -0.432 0.000 1.972 257 A HA -0.197 4.120 4.320 -0.005 0.000 0.219 257 A C 2.049 179.563 177.584 -0.117 0.000 1.169 257 A CA 1.258 53.172 52.037 -0.204 0.000 0.635 257 A CB -0.902 18.022 19.000 -0.126 0.000 0.810 257 A HN 0.167 nan 8.150 nan 0.000 0.446 258 R N -1.545 118.886 120.500 -0.116 0.000 2.323 258 R HA -0.028 4.309 4.340 -0.005 0.000 0.198 258 R C -0.505 175.917 176.300 0.204 0.000 0.988 258 R CA -0.196 55.925 56.100 0.036 0.000 1.041 258 R CB -0.024 30.312 30.300 0.060 0.000 0.926 258 R HN 0.546 nan 8.270 nan 0.000 0.476 259 W N 2.180 123.500 121.300 0.034 0.000 2.170 259 W HA 0.118 4.775 4.660 -0.005 0.000 0.336 259 W C 1.013 177.545 176.519 0.022 0.000 1.283 259 W CA -0.533 56.837 57.345 0.041 0.000 1.224 259 W CB 0.324 29.823 29.460 0.066 0.000 1.132 259 W HN -0.061 nan 8.180 nan 0.000 0.571 260 T N -0.201 114.493 114.554 0.234 0.000 2.865 260 T HA 0.686 5.033 4.350 -0.005 0.000 0.294 260 T C -0.776 173.955 174.700 0.052 0.000 1.119 260 T CA -1.018 61.148 62.100 0.111 0.000 1.007 260 T CB 1.876 70.787 68.868 0.070 0.000 1.225 260 T HN 0.122 nan 8.240 nan 0.000 0.515 261 I N 2.230 122.812 120.570 0.021 0.000 2.330 261 I HA 0.281 4.448 4.170 -0.005 0.000 0.289 261 I C 1.221 177.320 176.117 -0.030 0.000 1.001 261 I CA -0.369 60.919 61.300 -0.019 0.000 1.193 261 I CB 1.146 39.139 38.000 -0.011 0.000 1.345 261 I HN 0.859 nan 8.210 nan 0.000 0.461 262 Q N 3.228 122.979 119.800 -0.082 0.000 2.311 262 Q HA -0.018 4.319 4.340 -0.005 0.000 0.203 262 Q C 0.080 176.062 176.000 -0.030 0.000 0.954 262 Q CA 1.037 56.799 55.803 -0.068 0.000 0.885 262 Q CB 0.457 29.126 28.738 -0.114 0.000 0.963 262 Q HN 0.416 nan 8.270 nan 0.000 0.471 263 K N -1.037 119.334 120.400 -0.048 0.000 2.610 263 K HA 0.366 4.683 4.320 -0.005 0.000 0.278 263 K C -2.046 174.668 176.600 0.190 0.000 0.964 263 K CA -0.342 56.012 56.287 0.112 0.000 0.859 263 K CB 2.157 34.790 32.500 0.222 0.000 1.434 263 K HN -0.185 nan 8.250 nan 0.000 0.410 264 V N 2.796 122.940 119.914 0.384 0.000 2.789 264 V HA 0.628 4.745 4.120 -0.005 0.000 0.311 264 V C -1.297 175.131 176.094 0.558 0.000 1.073 264 V CA -0.823 61.734 62.300 0.427 0.000 0.921 264 V CB 1.729 33.711 31.823 0.265 0.000 1.009 264 V HN 0.698 nan 8.190 nan 0.000 0.426 265 F N 4.610 124.748 119.950 0.312 0.000 2.518 265 F HA 0.731 5.255 4.527 -0.005 0.000 0.323 265 F C -1.459 174.417 175.800 0.128 0.000 1.129 265 F CA -0.688 57.339 58.000 0.046 0.000 0.920 265 F CB 1.602 40.456 39.000 -0.243 0.000 1.160 265 F HN 0.529 nan 8.300 nan 0.000 0.440 266 Y N 5.472 125.505 120.300 -0.445 0.000 2.354 266 Y HA 0.285 4.832 4.550 -0.005 0.000 0.330 266 Y C -0.305 175.248 175.900 -0.579 0.000 1.011 266 Y CA -0.998 56.880 58.100 -0.370 0.000 1.099 266 Y CB 1.317 39.617 38.460 -0.266 0.000 1.179 266 Y HN 0.739 nan 8.280 nan 0.000 0.442 267 Q N 4.918 124.031 119.800 -1.144 0.000 2.417 267 Q HA -0.280 4.057 4.340 -0.005 0.000 0.350 267 Q C 1.083 176.564 176.000 -0.864 0.000 1.364 267 Q CA 1.414 56.675 55.803 -0.903 0.000 1.024 267 Q CB -1.432 26.664 28.738 -1.070 0.000 1.235 267 Q HN 1.336 nan 8.270 nan 0.000 0.388 268 G N -0.379 107.533 108.800 -1.480 0.000 2.241 268 G HA2 -0.315 3.642 3.960 -0.005 0.000 0.244 268 G HA3 -0.315 3.642 3.960 -0.005 0.000 0.244 268 G C 0.167 174.297 174.900 -1.284 0.000 0.998 268 G CA 0.299 44.272 45.100 -1.879 0.000 0.621 268 G HN 0.380 nan 8.290 nan 0.000 0.519 269 R N -0.654 119.117 120.500 -1.215 0.000 2.711 269 R HA 0.640 4.977 4.340 -0.005 0.000 0.284 269 R C -0.862 174.962 176.300 -0.792 0.000 0.968 269 R CA -0.792 54.866 56.100 -0.737 0.000 0.924 269 R CB 1.079 31.119 30.300 -0.434 0.000 1.162 269 R HN 0.170 nan 8.270 nan 0.000 0.465 270 Y N 1.320 121.374 120.300 -0.409 0.000 2.299 270 Y HA 0.302 4.850 4.550 -0.005 0.000 0.326 270 Y C -0.400 175.180 175.900 -0.534 0.000 1.164 270 Y CA 0.153 58.143 58.100 -0.184 0.000 1.234 270 Y CB 0.885 39.354 38.460 0.015 0.000 1.219 270 Y HN 0.405 nan 8.280 nan 0.000 0.497 271 Y N 0.356 120.796 120.300 0.233 0.000 2.553 271 Y HA 0.229 4.776 4.550 -0.005 0.000 0.347 271 Y C 0.317 176.306 175.900 0.148 0.000 1.019 271 Y CA -1.146 57.036 58.100 0.136 0.000 1.032 271 Y CB 1.567 40.064 38.460 0.062 0.000 1.284 271 Y HN 0.539 nan 8.280 nan 0.000 0.466 272 D N 0.237 120.780 120.400 0.238 0.000 2.289 272 D HA 0.017 4.654 4.640 -0.005 0.000 0.207 272 D C 0.292 176.669 176.300 0.128 0.000 0.966 272 D CA 1.034 55.126 54.000 0.154 0.000 0.868 272 D CB 0.342 41.202 40.800 0.100 0.000 0.943 272 D HN 0.408 nan 8.370 nan 0.000 0.514 273 S N -1.709 114.070 115.700 0.132 0.000 2.615 273 S HA 0.337 4.804 4.470 -0.005 0.000 0.269 273 S C 0.482 175.094 174.600 0.020 0.000 1.161 273 S CA -0.782 57.457 58.200 0.065 0.000 0.817 273 S CB 0.732 63.954 63.200 0.037 0.000 1.131 273 S HN -0.077 nan 8.310 nan 0.000 0.467 274 L N 1.100 122.302 121.223 -0.035 0.000 2.093 274 L HA 0.096 4.433 4.340 -0.005 0.000 0.208 274 L C 3.070 179.869 176.870 -0.118 0.000 1.085 274 L CA 1.676 56.448 54.840 -0.114 0.000 0.755 274 L CB -0.919 41.062 42.059 -0.130 0.000 0.904 274 L HN 0.951 nan 8.230 nan 0.000 0.435 275 A N -0.655 122.125 122.820 -0.066 0.000 1.883 275 A HA -0.299 4.018 4.320 -0.005 0.000 0.217 275 A C 2.295 179.854 177.584 -0.041 0.000 1.186 275 A CA 1.951 53.958 52.037 -0.051 0.000 0.624 275 A CB -0.619 18.367 19.000 -0.024 0.000 0.822 275 A HN 0.475 nan 8.150 nan 0.000 0.444 276 Q N -0.910 118.883 119.800 -0.011 0.000 2.084 276 Q HA -0.183 4.154 4.340 -0.005 0.000 0.202 276 Q C 2.082 178.075 176.000 -0.011 0.000 0.978 276 Q CA 1.768 57.588 55.803 0.029 0.000 0.844 276 Q CB -0.259 28.537 28.738 0.098 0.000 0.898 276 Q HN 0.560 nan 8.270 nan 0.000 0.426 277 L N 1.475 122.612 121.223 -0.144 0.000 2.012 277 L HA -0.204 4.133 4.340 -0.005 0.000 0.210 277 L C 2.247 178.947 176.870 -0.283 0.000 1.073 277 L CA 2.423 56.983 54.840 -0.466 0.000 0.748 277 L CB -0.790 40.830 42.059 -0.731 0.000 0.891 277 L HN 0.196 nan 8.230 nan 0.000 0.431 278 E N -0.074 120.007 120.200 -0.198 0.000 2.058 278 E HA -0.194 4.153 4.350 -0.005 0.000 0.194 278 E C 2.080 178.679 176.600 -0.001 0.000 0.997 278 E CA 1.765 58.105 56.400 -0.100 0.000 0.801 278 E CB -0.482 29.156 29.700 -0.103 0.000 0.746 278 E HN 0.571 nan 8.360 nan 0.000 0.450 279 A N 0.179 122.986 122.820 -0.022 0.000 1.898 279 A HA -0.194 4.123 4.320 -0.005 0.000 0.216 279 A C 2.204 179.785 177.584 -0.005 0.000 1.181 279 A CA 1.632 53.663 52.037 -0.009 0.000 0.620 279 A CB -0.583 18.413 19.000 -0.006 0.000 0.819 279 A HN 0.357 nan 8.150 nan 0.000 0.442 280 Q N -1.836 117.972 119.800 0.013 0.000 2.124 280 Q HA -0.167 4.170 4.340 -0.005 0.000 0.202 280 Q C 1.840 177.853 176.000 0.022 0.000 0.977 280 Q CA 1.662 57.487 55.803 0.036 0.000 0.850 280 Q CB -0.267 28.542 28.738 0.118 0.000 0.901 280 Q HN 0.782 nan 8.270 nan 0.000 0.429 281 F N 1.532 121.402 119.950 -0.132 0.000 2.102 281 F HA -0.165 4.359 4.527 -0.005 0.000 0.298 281 F C 1.750 177.476 175.800 -0.123 0.000 1.105 281 F CA 1.587 59.499 58.000 -0.147 0.000 1.239 281 F CB -0.011 38.858 39.000 -0.218 0.000 0.991 281 F HN -0.004 nan 8.300 nan 0.000 0.474 282 E N 0.101 120.135 120.200 -0.278 0.000 2.204 282 E HA -0.120 4.227 4.350 -0.005 0.000 0.194 282 E C 2.153 178.585 176.600 -0.281 0.000 0.989 282 E CA 0.788 56.972 56.400 -0.360 0.000 0.824 282 E CB -0.320 29.306 29.700 -0.123 0.000 0.756 282 E HN 0.497 nan 8.360 nan 0.000 0.477 283 A N 0.094 122.807 122.820 -0.178 0.000 2.206 283 A HA 0.164 4.481 4.320 -0.005 0.000 0.211 283 A C 1.703 179.202 177.584 -0.141 0.000 1.158 283 A CA 0.980 52.943 52.037 -0.124 0.000 0.761 283 A CB -0.190 18.772 19.000 -0.063 0.000 0.801 283 A HN 0.345 nan 8.150 nan 0.000 0.473 284 G N -2.169 106.505 108.800 -0.210 0.000 2.148 284 G HA2 -0.157 3.800 3.960 -0.005 0.000 0.203 284 G HA3 -0.157 3.800 3.960 -0.005 0.000 0.203 284 G C 0.359 175.199 174.900 -0.099 0.000 0.993 284 G CA 0.281 45.268 45.100 -0.189 0.000 0.661 284 G HN 0.918 nan 8.290 nan 0.000 0.518 285 L N 0.766 121.956 121.223 -0.056 0.000 2.965 285 L HA 0.665 5.002 4.340 -0.005 0.000 0.254 285 L C 0.048 176.960 176.870 0.069 0.000 1.220 285 L CA -0.145 54.703 54.840 0.012 0.000 1.023 285 L CB 1.028 43.104 42.059 0.028 0.000 1.355 285 L HN 0.063 nan 8.230 nan 0.000 0.545 286 V N 0.938 120.902 119.914 0.083 0.000 2.447 286 V HA 0.366 4.483 4.120 -0.005 0.000 0.292 286 V C -0.615 175.582 176.094 0.170 0.000 1.021 286 V CA -0.833 61.566 62.300 0.165 0.000 0.850 286 V CB 1.392 33.348 31.823 0.221 0.000 1.005 286 V HN 0.197 nan 8.190 nan 0.000 0.426 287 N N 3.890 122.671 118.700 0.136 0.000 2.439 287 N HA 0.212 4.949 4.740 -0.005 0.000 0.243 287 N C -0.262 175.338 175.510 0.151 0.000 1.088 287 N CA -0.181 52.946 53.050 0.129 0.000 0.940 287 N CB 1.983 40.528 38.487 0.097 0.000 1.180 287 N HN 0.409 nan 8.380 nan 0.000 0.505 288 V N 2.859 122.896 119.914 0.205 0.000 2.479 288 V HA 0.026 4.143 4.120 -0.005 0.000 0.281 288 V C 0.787 176.950 176.094 0.115 0.000 1.031 288 V CA -0.473 61.941 62.300 0.191 0.000 1.038 288 V CB 0.845 32.851 31.823 0.304 0.000 0.981 288 V HN 0.276 nan 8.190 nan 0.000 0.478 289 V N 7.128 127.060 119.914 0.029 0.000 2.488 289 V HA 0.189 4.306 4.120 -0.005 0.000 0.277 289 V C 0.320 176.379 176.094 -0.059 0.000 1.046 289 V CA -0.351 61.969 62.300 0.033 0.000 0.986 289 V CB 1.052 32.964 31.823 0.148 0.000 0.989 289 V HN 0.617 nan 8.190 nan 0.000 0.475 290 L N 6.667 127.873 121.223 -0.029 0.000 2.363 290 L HA 0.393 4.730 4.340 -0.005 0.000 0.286 290 L C -0.193 176.668 176.870 -0.015 0.000 1.106 290 L CA 0.011 54.826 54.840 -0.041 0.000 0.859 290 L CB 0.173 42.214 42.059 -0.030 0.000 1.223 290 L HN 0.502 nan 8.230 nan 0.000 0.446 291 I N 5.916 126.508 120.570 0.036 0.000 2.352 291 I HA 0.232 4.399 4.170 -0.005 0.000 0.290 291 I C -1.892 174.542 176.117 0.528 0.000 1.036 291 I CA -1.643 59.799 61.300 0.238 0.000 1.336 291 I CB 0.783 38.951 38.000 0.280 0.000 1.407 291 I HN 0.345 nan 8.210 nan 0.000 0.497 292 P HA 0.119 nan 4.420 nan 0.000 0.275 292 P C -0.358 177.112 177.300 0.284 0.000 1.228 292 P CA -0.266 63.083 63.100 0.416 0.000 0.786 292 P CB 0.641 32.517 31.700 0.293 0.000 0.927 293 D N -0.423 119.770 120.400 -0.345 0.000 2.363 293 D HA 0.088 4.726 4.640 -0.005 0.000 0.214 293 D C -0.171 175.825 176.300 -0.507 0.000 1.093 293 D CA 0.168 53.688 54.000 -0.799 0.000 0.837 293 D CB -0.248 39.685 40.800 -1.445 0.000 0.948 293 D HN 0.111 nan 8.370 nan 0.000 0.507 294 N N -0.850 117.397 118.700 -0.754 0.000 2.494 294 N HA 0.660 5.397 4.740 -0.005 0.000 0.270 294 N C -0.710 173.758 175.510 -1.737 0.000 1.285 294 N CA -0.011 52.421 53.050 -1.029 0.000 0.812 294 N CB 2.226 40.339 38.487 -0.623 0.000 1.557 294 N HN 0.178 nan 8.380 nan 0.000 0.487 295 G N -0.877 106.877 108.800 -1.743 0.000 2.340 295 G HA2 0.446 4.403 3.960 -0.005 0.000 0.299 295 G HA3 0.446 4.403 3.960 -0.005 0.000 0.299 295 G C -1.583 172.835 174.900 -0.803 0.000 1.291 295 G CA -0.117 44.055 45.100 -1.545 0.000 0.841 295 G HN 0.754 nan 8.290 nan 0.000 0.500 296 T N -2.966 111.379 114.554 -0.348 0.000 2.887 296 T HA 0.963 5.310 4.350 -0.005 0.000 0.292 296 T C 0.568 175.422 174.700 0.256 0.000 1.087 296 T CA 0.361 62.474 62.100 0.022 0.000 1.009 296 T CB 1.596 70.455 68.868 -0.015 0.000 1.203 296 T HN 2.768 nan 8.240 nan 0.000 0.518 297 G N -0.251 108.683 108.800 0.223 0.000 2.610 297 G HA2 0.250 4.207 3.960 -0.005 0.000 0.304 297 G HA3 0.250 4.207 3.960 -0.005 0.000 0.304 297 G C 0.729 175.772 174.900 0.237 0.000 1.309 297 G CA -0.044 45.184 45.100 0.213 0.000 0.906 297 G HN 1.613 nan 8.290 nan 0.000 0.521 298 G N -0.463 108.435 108.800 0.163 0.000 2.509 298 G HA2 0.205 4.162 3.960 -0.005 0.000 0.218 298 G HA3 0.205 4.162 3.960 -0.005 0.000 0.218 298 G C 1.932 176.905 174.900 0.121 0.000 1.124 298 G CA 2.075 47.249 45.100 0.123 0.000 0.776 298 G HN 1.995 nan 8.290 nan 0.000 0.547 299 S N -1.777 113.987 115.700 0.107 0.000 2.575 299 S HA 0.088 4.555 4.470 -0.005 0.000 0.215 299 S C 1.482 175.952 174.600 -0.217 0.000 0.966 299 S CA -0.105 58.041 58.200 -0.090 0.000 0.911 299 S CB -0.274 62.808 63.200 -0.198 0.000 0.780 299 S HN 0.557 nan 8.310 nan 0.000 0.514 300 W N 0.843 122.296 121.300 0.254 0.000 2.873 300 W HA 0.544 5.201 4.660 -0.005 0.000 0.282 300 W C 0.954 177.571 176.519 0.164 0.000 1.118 300 W CA -0.284 57.197 57.345 0.228 0.000 1.480 300 W CB 0.391 29.920 29.460 0.114 0.000 0.954 300 W HN 0.233 nan 8.180 nan 0.000 0.591 301 S N -0.205 115.696 115.700 0.335 0.000 2.627 301 S HA 0.534 5.001 4.470 -0.005 0.000 0.283 301 S C -0.239 174.473 174.600 0.186 0.000 1.127 301 S CA -0.555 57.784 58.200 0.232 0.000 0.863 301 S CB 1.080 64.391 63.200 0.185 0.000 1.121 301 S HN 0.023 nan 8.310 nan 0.000 0.479 302 L N 1.103 122.413 121.223 0.145 0.000 2.817 302 L HA 0.416 4.753 4.340 -0.005 0.000 0.248 302 L C 0.571 177.477 176.870 0.060 0.000 1.133 302 L CA 0.063 54.962 54.840 0.099 0.000 0.935 302 L CB 0.220 42.344 42.059 0.108 0.000 1.266 302 L HN 0.523 nan 8.230 nan 0.000 0.535 303 K N 1.441 121.879 120.400 0.062 0.000 2.349 303 K HA 0.086 4.403 4.320 -0.005 0.000 0.289 303 K C 0.323 176.942 176.600 0.033 0.000 1.064 303 K CA -0.023 56.286 56.287 0.038 0.000 0.947 303 K CB 0.888 33.407 32.500 0.031 0.000 1.007 303 K HN -0.112 nan 8.250 nan 0.000 0.478 304 S N 4.619 120.329 115.700 0.017 0.000 2.537 304 S HA 0.124 4.591 4.470 -0.005 0.000 0.286 304 S C -1.512 173.094 174.600 0.010 0.000 1.299 304 S CA -1.263 56.944 58.200 0.012 0.000 1.067 304 S CB 0.589 63.789 63.200 0.000 0.000 0.864 304 S HN 0.540 nan 8.310 nan 0.000 0.494 305 P HA 0.151 nan 4.420 nan 0.000 0.245 305 P C -0.443 176.859 177.300 0.002 0.000 1.206 305 P CA 0.073 63.179 63.100 0.009 0.000 0.781 305 P CB 0.054 31.762 31.700 0.014 0.000 0.994 306 V N 4.182 124.096 119.914 -0.000 0.000 2.408 306 V HA 0.197 4.314 4.120 -0.005 0.000 0.267 306 V C -1.762 174.326 176.094 -0.010 0.000 1.047 306 V CA -1.654 60.643 62.300 -0.005 0.000 0.937 306 V CB 0.393 32.213 31.823 -0.005 0.000 0.999 306 V HN 0.101 nan 8.190 nan 0.000 0.472 307 P HA 0.206 nan 4.420 nan 0.000 0.267 307 P C -2.384 174.905 177.300 -0.019 0.000 1.200 307 P CA -0.914 62.177 63.100 -0.016 0.000 0.772 307 P CB -0.274 31.417 31.700 -0.015 0.000 0.855 308 P HA 0.145 nan 4.420 nan 0.000 0.268 308 P C 0.345 177.629 177.300 -0.026 0.000 1.208 308 P CA 0.168 63.251 63.100 -0.028 0.000 0.777 308 P CB 0.519 32.197 31.700 -0.036 0.000 0.875 309 G N 1.488 110.273 108.800 -0.026 0.000 3.175 309 G HA2 0.542 4.499 3.960 -0.005 0.000 0.153 309 G HA3 0.542 4.499 3.960 -0.005 0.000 0.153 309 G C -2.287 172.597 174.900 -0.028 0.000 1.216 309 G CA -0.740 44.345 45.100 -0.025 0.000 0.943 309 G HN 0.489 nan 8.290 nan 0.000 0.611 310 P HA 0.407 nan 4.420 nan 0.000 0.266 310 P C -0.212 177.068 177.300 -0.033 0.000 1.195 310 P CA -0.040 63.043 63.100 -0.029 0.000 0.768 310 P CB 0.773 32.457 31.700 -0.025 0.000 0.838 311 A N 5.059 127.855 122.820 -0.039 0.000 2.477 311 A HA 0.369 4.686 4.320 -0.005 0.000 0.246 311 A C -1.425 176.137 177.584 -0.037 0.000 1.078 311 A CA -0.874 51.136 52.037 -0.044 0.000 0.770 311 A CB -1.218 17.748 19.000 -0.058 0.000 1.011 311 A HN 0.501 nan 8.150 nan 0.000 0.494 312 P HA 0.275 nan 4.420 nan 0.000 0.270 312 P C -2.445 174.842 177.300 -0.022 0.000 1.223 312 P CA -0.886 62.199 63.100 -0.024 0.000 0.785 312 P CB -0.569 31.119 31.700 -0.021 0.000 0.923 313 P HA 0.123 nan 4.420 nan 0.000 0.267 313 P C -0.776 176.523 177.300 -0.002 0.000 1.200 313 P CA 0.003 63.100 63.100 -0.005 0.000 0.772 313 P CB 0.350 32.054 31.700 0.007 0.000 0.855 314 L N 1.616 122.841 121.223 0.004 0.000 2.381 314 L HA 0.378 4.715 4.340 -0.005 0.000 0.268 314 L C -0.353 176.557 176.870 0.067 0.000 0.997 314 L CA -0.471 54.376 54.840 0.010 0.000 0.818 314 L CB 2.007 44.043 42.059 -0.038 0.000 1.310 314 L HN 0.306 nan 8.230 nan 0.000 0.416 315 Q N 3.720 123.555 119.800 0.057 0.000 2.245 315 Q HA 0.609 4.946 4.340 -0.005 0.000 0.256 315 Q C -1.526 174.518 176.000 0.074 0.000 0.942 315 Q CA -0.520 55.324 55.803 0.067 0.000 0.896 315 Q CB 2.166 30.904 28.738 -0.001 0.000 1.272 315 Q HN 0.623 nan 8.270 nan 0.000 0.442 316 F N -0.855 118.972 119.950 -0.206 0.000 2.662 316 F HA 0.502 5.027 4.527 -0.003 0.000 0.312 316 F C -1.875 173.787 175.800 -0.229 0.000 1.113 316 F CA -1.288 56.537 58.000 -0.293 0.000 0.951 316 F CB 1.017 39.931 39.000 -0.143 0.000 1.344 316 F HN 0.303 nan 8.300 nan 0.000 0.462 317 Y N 2.092 122.355 120.300 -0.062 0.000 2.504 317 Y HA 0.418 4.966 4.550 -0.004 0.000 0.339 317 Y C -2.111 173.692 175.900 -0.162 0.000 0.974 317 Y CA -2.785 55.230 58.100 -0.143 0.000 1.232 317 Y CB 0.543 39.010 38.460 0.011 0.000 1.108 317 Y HN 0.399 nan 8.280 nan 0.000 0.509 318 P HA -0.114 nan 4.420 nan 0.000 0.222 318 P C 0.263 177.602 177.300 0.065 0.000 1.147 318 P CA 1.425 64.465 63.100 -0.100 0.000 0.790 318 P CB 0.392 31.975 31.700 -0.196 0.000 0.780 319 Q N -0.820 119.012 119.800 0.054 0.000 2.141 319 Q HA 0.428 4.765 4.340 -0.005 0.000 0.248 319 Q C 0.247 176.282 176.000 0.058 0.000 0.834 319 Q CA -0.205 55.633 55.803 0.058 0.000 1.096 319 Q CB 0.729 29.486 28.738 0.033 0.000 1.189 319 Q HN 0.112 nan 8.270 nan 0.000 0.471 320 G N 1.836 110.700 108.800 0.106 0.000 2.730 320 G HA2 -0.165 3.792 3.960 -0.005 0.000 0.686 320 G HA3 -0.165 3.792 3.960 -0.005 0.000 0.686 320 G C -2.958 171.907 174.900 -0.059 0.000 1.343 320 G CA -1.326 43.817 45.100 0.070 0.000 0.826 320 G HN 0.023 nan 8.290 nan 0.000 0.582 321 P HA 0.381 nan 4.420 nan 0.000 0.269 321 P C 0.510 177.530 177.300 -0.467 0.000 1.209 321 P CA -0.072 62.593 63.100 -0.726 0.000 0.776 321 P CB 0.443 31.638 31.700 -0.841 0.000 0.876 322 R N 1.505 121.787 120.500 -0.363 0.000 2.426 322 R HA 0.274 4.611 4.340 -0.005 0.000 0.263 322 R C -0.091 176.223 176.300 0.024 0.000 0.961 322 R CA 0.053 56.090 56.100 -0.106 0.000 1.086 322 R CB -0.457 29.838 30.300 -0.008 0.000 1.186 322 R HN 0.536 nan 8.270 nan 0.000 0.537 323 F N -2.411 117.452 119.950 -0.145 0.000 2.645 323 F HA 0.639 5.163 4.527 -0.005 0.000 0.310 323 F C -0.702 175.043 175.800 -0.092 0.000 1.102 323 F CA -1.471 56.467 58.000 -0.103 0.000 0.952 323 F CB 1.134 40.076 39.000 -0.096 0.000 1.326 323 F HN -0.188 nan 8.300 nan 0.000 0.456 324 S N 1.033 116.752 115.700 0.032 0.000 2.568 324 S HA 0.882 5.349 4.470 -0.005 0.000 0.302 324 S C -1.538 173.130 174.600 0.114 0.000 1.082 324 S CA -0.719 57.465 58.200 -0.027 0.000 1.009 324 S CB 1.773 64.949 63.200 -0.041 0.000 1.069 324 S HN 0.823 nan 8.310 nan 0.000 0.500 325 V N 2.388 122.359 119.914 0.095 0.000 2.407 325 V HA 0.557 4.674 4.120 -0.005 0.000 0.291 325 V C -0.568 175.580 176.094 0.090 0.000 1.018 325 V CA -0.388 61.995 62.300 0.138 0.000 0.842 325 V CB 1.146 33.098 31.823 0.215 0.000 0.996 325 V HN 0.989 nan 8.190 nan 0.000 0.426 326 Q N 3.374 123.211 119.800 0.061 0.000 2.337 326 Q HA 0.552 4.889 4.340 -0.005 0.000 0.260 326 Q C 0.636 176.642 176.000 0.011 0.000 0.982 326 Q CA 0.496 56.318 55.803 0.032 0.000 0.734 326 Q CB 1.572 30.315 28.738 0.008 0.000 1.272 326 Q HN 1.091 nan 8.270 nan 0.000 0.461 327 G N 2.137 110.948 108.800 0.019 0.000 2.595 327 G HA2 -0.326 3.631 3.960 -0.005 0.000 0.297 327 G HA3 -0.326 3.631 3.960 -0.005 0.000 0.297 327 G C 0.376 175.209 174.900 -0.111 0.000 1.181 327 G CA 0.390 45.477 45.100 -0.023 0.000 0.963 327 G HN 0.571 nan 8.290 nan 0.000 0.541 328 S N 1.476 117.031 115.700 -0.242 0.000 2.593 328 S HA 0.364 4.831 4.470 -0.005 0.000 0.236 328 S C 0.717 175.040 174.600 -0.463 0.000 0.991 328 S CA -0.121 57.685 58.200 -0.656 0.000 0.963 328 S CB 0.256 63.094 63.200 -0.602 0.000 0.865 328 S HN 0.534 nan 8.310 nan 0.000 0.488 329 R N 1.240 121.650 120.500 -0.151 0.000 2.460 329 R HA 0.588 4.925 4.340 -0.005 0.000 0.303 329 R C -1.091 175.143 176.300 -0.109 0.000 0.968 329 R CA -0.392 55.641 56.100 -0.111 0.000 0.889 329 R CB 1.733 31.986 30.300 -0.079 0.000 1.123 329 R HN 0.020 nan 8.270 nan 0.000 0.455 330 V N 1.765 121.439 119.914 -0.400 0.000 2.513 330 V HA 0.687 4.804 4.120 -0.005 0.000 0.299 330 V C -0.320 175.518 176.094 -0.426 0.000 1.035 330 V CA -0.728 61.277 62.300 -0.492 0.000 0.889 330 V CB 1.693 32.889 31.823 -1.044 0.000 0.988 330 V HN 0.922 nan 8.190 nan 0.000 0.440 331 A N 3.435 126.163 122.820 -0.153 0.000 2.381 331 A HA 0.887 5.204 4.320 -0.005 0.000 0.299 331 A C -0.232 177.376 177.584 0.040 0.000 1.049 331 A CA -0.198 51.800 52.037 -0.065 0.000 0.715 331 A CB 1.873 20.845 19.000 -0.045 0.000 1.222 331 A HN 1.041 nan 8.150 nan 0.000 0.428 332 S N 0.486 116.225 115.700 0.065 0.000 2.810 332 S HA 0.619 5.086 4.470 -0.005 0.000 0.315 332 S C 1.189 175.808 174.600 0.031 0.000 1.138 332 S CA 0.252 58.513 58.200 0.101 0.000 0.889 332 S CB 0.986 64.287 63.200 0.168 0.000 1.236 332 S HN 1.688 nan 8.310 nan 0.000 0.548 333 S N 0.011 115.719 115.700 0.014 0.000 2.442 333 S HA 0.014 4.481 4.470 -0.005 0.000 0.236 333 S C 1.400 175.916 174.600 -0.140 0.000 1.007 333 S CA 0.856 59.026 58.200 -0.051 0.000 0.965 333 S CB -0.836 62.340 63.200 -0.040 0.000 0.773 333 S HN 0.631 nan 8.310 nan 0.000 0.504 334 L N -2.266 118.869 121.223 -0.146 0.000 2.537 334 L HA 0.448 4.785 4.340 -0.005 0.000 0.224 334 L C 0.151 176.699 176.870 -0.535 0.000 1.065 334 L CA -0.121 54.444 54.840 -0.459 0.000 0.860 334 L CB 0.185 41.980 42.059 -0.439 0.000 1.086 334 L HN 0.304 nan 8.230 nan 0.000 0.482 335 W N -0.739 120.529 121.300 -0.053 0.000 2.819 335 W HA 0.505 5.162 4.660 -0.005 0.000 0.337 335 W C -0.359 176.135 176.519 -0.042 0.000 1.077 335 W CA -0.425 56.924 57.345 0.007 0.000 1.226 335 W CB 2.051 31.511 29.460 0.001 0.000 1.419 335 W HN -0.415 nan 8.180 nan 0.000 0.502 336 T N 3.471 118.219 114.554 0.325 0.000 2.916 336 T HA 0.709 5.056 4.350 -0.005 0.000 0.298 336 T C -1.286 173.550 174.700 0.228 0.000 1.031 336 T CA -0.400 61.766 62.100 0.111 0.000 0.993 336 T CB 0.884 69.793 68.868 0.069 0.000 1.045 336 T HN 0.309 nan 8.240 nan 0.000 0.454 337 F N -0.461 119.479 119.950 -0.017 0.000 2.900 337 F HA 0.787 5.311 4.527 -0.005 0.000 0.321 337 F C -1.157 174.663 175.800 0.033 0.000 1.160 337 F CA -1.110 56.877 58.000 -0.022 0.000 0.890 337 F CB 1.022 39.953 39.000 -0.114 0.000 1.334 337 F HN 0.404 nan 8.300 nan 0.000 0.459 338 S N 0.988 116.858 115.700 0.284 0.000 2.532 338 S HA 0.804 5.271 4.470 -0.005 0.000 0.299 338 S C -1.162 173.646 174.600 0.346 0.000 1.105 338 S CA -0.630 57.678 58.200 0.180 0.000 1.018 338 S CB 0.637 63.931 63.200 0.156 0.000 1.021 338 S HN 0.813 nan 8.310 nan 0.000 0.483 339 F N 2.112 122.152 119.950 0.149 0.000 2.594 339 F HA 1.045 5.569 4.527 -0.005 0.000 0.335 339 F C 0.411 176.207 175.800 -0.007 0.000 1.058 339 F CA -0.393 57.655 58.000 0.079 0.000 0.981 339 F CB 1.017 40.028 39.000 0.018 0.000 1.289 339 F HN 0.789 nan 8.300 nan 0.000 0.490 340 G N 0.264 109.134 108.800 0.117 0.000 2.325 340 G HA2 0.493 4.450 3.960 -0.005 0.000 0.295 340 G HA3 0.493 4.450 3.960 -0.005 0.000 0.295 340 G C -2.792 172.296 174.900 0.313 0.000 1.274 340 G CA -0.785 44.405 45.100 0.149 0.000 0.857 340 G HN 0.945 nan 8.290 nan 0.000 0.499 341 L N 0.959 122.369 121.223 0.311 0.000 2.676 341 L HA 0.655 4.992 4.340 -0.005 0.000 0.262 341 L C 0.481 177.446 176.870 0.158 0.000 0.965 341 L CA 0.239 55.123 54.840 0.075 0.000 0.920 341 L CB 1.245 43.029 42.059 -0.457 0.000 1.260 341 L HN 1.271 nan 8.230 nan 0.000 0.422 342 G N 2.378 111.231 108.800 0.089 0.000 2.398 342 G HA2 0.418 4.375 3.960 -0.005 0.000 0.246 342 G HA3 0.418 4.375 3.960 -0.005 0.000 0.246 342 G C 0.964 175.881 174.900 0.028 0.000 1.289 342 G CA 0.124 45.296 45.100 0.120 0.000 0.869 342 G HN 1.020 nan 8.290 nan 0.000 0.543 343 A N 2.225 125.053 122.820 0.012 0.000 1.940 343 A HA -0.005 4.312 4.320 -0.005 0.000 0.219 343 A C 1.755 179.060 177.584 -0.465 0.000 1.176 343 A CA 1.491 53.377 52.037 -0.252 0.000 0.631 343 A CB -0.251 18.358 19.000 -0.651 0.000 0.814 343 A HN 0.658 nan 8.150 nan 0.000 0.446 344 F N -0.949 119.067 119.950 0.110 0.000 2.553 344 F HA 0.058 4.583 4.527 -0.005 0.000 0.282 344 F C 2.523 178.322 175.800 -0.002 0.000 1.089 344 F CA 0.662 58.709 58.000 0.078 0.000 1.411 344 F CB 0.103 39.146 39.000 0.073 0.000 1.125 344 F HN 0.227 nan 8.300 nan 0.000 0.610 345 S N -0.456 115.314 115.700 0.118 0.000 2.548 345 S HA 0.515 4.982 4.470 -0.005 0.000 0.215 345 S C 1.198 175.663 174.600 -0.224 0.000 0.976 345 S CA 0.302 58.475 58.200 -0.045 0.000 0.908 345 S CB -0.314 62.886 63.200 0.000 0.000 0.781 345 S HN 0.578 nan 8.310 nan 0.000 0.519 346 G N 1.704 110.379 108.800 -0.208 0.000 2.584 346 G HA2 -0.152 3.805 3.960 -0.005 0.000 0.229 346 G HA3 -0.152 3.805 3.960 -0.005 0.000 0.229 346 G C -3.111 171.605 174.900 -0.305 0.000 1.320 346 G CA -0.644 44.243 45.100 -0.355 0.000 0.891 346 G HN 0.423 nan 8.290 nan 0.000 0.573 347 P HA 0.362 nan 4.420 nan 0.000 0.265 347 P C -0.061 177.162 177.300 -0.129 0.000 1.193 347 P CA 0.637 63.642 63.100 -0.159 0.000 0.765 347 P CB 0.377 31.993 31.700 -0.140 0.000 0.823 348 R N 2.345 122.822 120.500 -0.037 0.000 2.643 348 R HA 0.758 5.095 4.340 -0.005 0.000 0.269 348 R C -1.541 174.663 176.300 -0.159 0.000 1.037 348 R CA -0.909 55.095 56.100 -0.160 0.000 0.894 348 R CB 1.346 31.542 30.300 -0.172 0.000 1.238 348 R HN 0.258 nan 8.270 nan 0.000 0.459 349 I N 1.978 122.312 120.570 -0.394 0.000 2.647 349 I HA 0.530 4.697 4.170 -0.005 0.000 0.295 349 I C -1.185 174.531 176.117 -0.669 0.000 1.078 349 I CA -0.984 60.150 61.300 -0.276 0.000 1.048 349 I CB 2.092 40.001 38.000 -0.151 0.000 1.239 349 I HN 0.500 nan 8.210 nan 0.000 0.421 350 F N 1.996 121.809 119.950 -0.228 0.000 2.603 350 F HA 0.330 4.854 4.527 -0.005 0.000 0.317 350 F C 0.249 175.774 175.800 -0.459 0.000 1.066 350 F CA -0.651 56.983 58.000 -0.609 0.000 0.941 350 F CB 1.295 39.505 39.000 -1.316 0.000 1.291 350 F HN 0.482 nan 8.300 nan 0.000 0.472 351 D N 1.126 121.327 120.400 -0.331 0.000 2.697 351 D HA -0.155 4.482 4.640 -0.005 0.000 0.238 351 D C -0.985 175.363 176.300 0.079 0.000 1.152 351 D CA 0.253 54.189 54.000 -0.106 0.000 0.666 351 D CB -0.713 40.048 40.800 -0.065 0.000 1.037 351 D HN 0.186 nan 8.370 nan 0.000 0.423 352 V N 2.236 122.212 119.914 0.104 0.000 2.421 352 V HA 0.172 4.289 4.120 -0.005 0.000 0.271 352 V C 1.259 177.530 176.094 0.294 0.000 1.031 352 V CA 0.368 62.813 62.300 0.243 0.000 1.032 352 V CB 0.607 32.556 31.823 0.212 0.000 1.009 352 V HN 0.150 nan 8.190 nan 0.000 0.477 353 R N 4.447 125.147 120.500 0.334 0.000 2.387 353 R HA 0.468 4.805 4.340 -0.005 0.000 0.314 353 R C -0.973 175.514 176.300 0.311 0.000 0.958 353 R CA -0.565 55.705 56.100 0.282 0.000 0.846 353 R CB 1.890 32.292 30.300 0.171 0.000 1.147 353 R HN 0.604 nan 8.270 nan 0.000 0.447 354 F N 2.902 122.880 119.950 0.047 0.000 2.405 354 F HA 0.105 4.629 4.527 -0.005 0.000 0.355 354 F C 0.490 176.221 175.800 -0.115 0.000 1.121 354 F CA -0.076 57.740 58.000 -0.306 0.000 1.112 354 F CB 0.884 39.634 39.000 -0.416 0.000 1.126 354 F HN 0.623 nan 8.300 nan 0.000 0.481 355 Q N 4.704 124.044 119.800 -0.766 0.000 2.435 355 Q HA -0.255 4.082 4.340 -0.005 0.000 0.312 355 Q C 1.102 177.006 176.000 -0.160 0.000 1.333 355 Q CA 0.984 56.488 55.803 -0.499 0.000 0.883 355 Q CB -1.461 26.933 28.738 -0.572 0.000 1.170 355 Q HN 1.332 nan 8.270 nan 0.000 0.443 356 G N -0.189 108.561 108.800 -0.084 0.000 2.225 356 G HA2 -0.353 3.604 3.960 -0.005 0.000 0.254 356 G HA3 -0.353 3.604 3.960 -0.005 0.000 0.254 356 G C -0.125 174.816 174.900 0.068 0.000 0.988 356 G CA 0.328 45.425 45.100 -0.004 0.000 0.625 356 G HN 0.471 nan 8.290 nan 0.000 0.527 357 E N 0.642 120.921 120.200 0.132 0.000 2.109 357 E HA 0.527 4.874 4.350 -0.005 0.000 0.278 357 E C 0.563 177.302 176.600 0.232 0.000 0.954 357 E CA -0.963 55.556 56.400 0.197 0.000 0.779 357 E CB 0.524 30.390 29.700 0.277 0.000 1.093 357 E HN 0.361 nan 8.360 nan 0.000 0.401 358 R N 4.445 125.060 120.500 0.190 0.000 2.484 358 R HA 0.023 4.360 4.340 -0.005 0.000 0.293 358 R C 0.361 176.766 176.300 0.176 0.000 1.023 358 R CA 0.355 56.565 56.100 0.184 0.000 1.037 358 R CB 0.368 30.767 30.300 0.166 0.000 0.951 358 R HN 0.699 nan 8.270 nan 0.000 0.418 359 L N 3.781 125.076 121.223 0.121 0.000 2.467 359 L HA 0.258 4.595 4.340 -0.005 0.000 0.213 359 L C -0.193 176.649 176.870 -0.046 0.000 1.053 359 L CA -0.035 54.778 54.840 -0.046 0.000 0.847 359 L CB 0.571 42.474 42.059 -0.260 0.000 1.075 359 L HN 0.308 nan 8.230 nan 0.000 0.479 360 V N -1.019 118.907 119.914 0.020 0.000 2.577 360 V HA 0.146 4.263 4.120 -0.005 0.000 0.303 360 V C 0.110 176.235 176.094 0.052 0.000 1.042 360 V CA -0.665 61.638 62.300 0.005 0.000 0.872 360 V CB 2.022 33.813 31.823 -0.053 0.000 0.998 360 V HN 0.087 nan 8.190 nan 0.000 0.423 361 Y N 3.565 123.855 120.300 -0.017 0.000 2.153 361 Y HA 0.130 4.678 4.550 -0.005 0.000 0.289 361 Y C 1.085 176.959 175.900 -0.042 0.000 1.127 361 Y CA 1.879 59.985 58.100 0.010 0.000 1.131 361 Y CB 0.538 39.033 38.460 0.058 0.000 0.995 361 Y HN 0.647 nan 8.280 nan 0.000 0.505 362 E N 0.290 120.451 120.200 -0.066 0.000 2.287 362 E HA 0.359 4.706 4.350 -0.005 0.000 0.274 362 E C -1.862 174.562 176.600 -0.293 0.000 0.896 362 E CA -0.491 55.709 56.400 -0.334 0.000 0.788 362 E CB 1.158 30.801 29.700 -0.094 0.000 1.244 362 E HN 0.209 nan 8.360 nan 0.000 0.408 363 I N 3.469 123.807 120.570 -0.385 0.000 2.362 363 I HA 0.329 4.496 4.170 -0.005 0.000 0.289 363 I C -0.587 175.343 176.117 -0.310 0.000 0.994 363 I CA -0.282 60.854 61.300 -0.274 0.000 1.158 363 I CB 1.767 39.629 38.000 -0.229 0.000 1.315 363 I HN 0.474 nan 8.210 nan 0.000 0.451 364 S N 6.246 121.828 115.700 -0.197 0.000 2.541 364 S HA 0.598 5.065 4.470 -0.005 0.000 0.271 364 S C -0.946 173.583 174.600 -0.118 0.000 1.133 364 S CA -0.897 57.194 58.200 -0.182 0.000 0.876 364 S CB 1.787 64.863 63.200 -0.207 0.000 1.105 364 S HN 0.442 nan 8.310 nan 0.000 0.470 365 L N 2.245 123.322 121.223 -0.242 0.000 2.456 365 L HA 0.412 4.749 4.340 -0.005 0.000 0.272 365 L C 0.990 177.574 176.870 -0.477 0.000 1.189 365 L CA 0.770 55.255 54.840 -0.591 0.000 0.846 365 L CB 0.322 41.836 42.059 -0.908 0.000 1.111 365 L HN 0.871 nan 8.230 nan 0.000 0.475 366 Q N 1.949 121.409 119.800 -0.567 0.000 2.532 366 Q HA 0.273 4.610 4.340 -0.005 0.000 0.247 366 Q C -0.260 175.518 176.000 -0.369 0.000 0.872 366 Q CA 0.286 55.887 55.803 -0.338 0.000 0.963 366 Q CB 0.970 29.577 28.738 -0.219 0.000 1.159 366 Q HN 0.714 nan 8.270 nan 0.000 0.598 367 E N -0.983 118.869 120.200 -0.580 0.000 2.401 367 E HA 0.647 4.994 4.350 -0.005 0.000 0.280 367 E C -2.044 174.264 176.600 -0.487 0.000 1.039 367 E CA -0.358 55.782 56.400 -0.432 0.000 0.814 367 E CB 1.693 31.197 29.700 -0.326 0.000 1.275 367 E HN 0.085 nan 8.360 nan 0.000 0.448 368 A N 1.993 124.693 122.820 -0.201 0.000 2.435 368 A HA 0.864 5.181 4.320 -0.005 0.000 0.304 368 A C -1.785 175.894 177.584 0.159 0.000 1.064 368 A CA -0.628 51.345 52.037 -0.106 0.000 0.727 368 A CB 1.198 19.996 19.000 -0.336 0.000 1.284 368 A HN 0.529 nan 8.150 nan 0.000 0.415 369 L N 1.313 122.677 121.223 0.236 0.000 2.436 369 L HA 0.833 5.170 4.340 -0.005 0.000 0.268 369 L C -0.443 176.492 176.870 0.108 0.000 0.974 369 L CA -0.034 54.880 54.840 0.123 0.000 0.826 369 L CB 1.904 43.931 42.059 -0.053 0.000 1.291 369 L HN 1.135 nan 8.230 nan 0.000 0.406 370 A N 6.178 129.058 122.820 0.099 0.000 2.319 370 A HA 0.801 5.118 4.320 -0.005 0.000 0.310 370 A C -1.016 176.556 177.584 -0.021 0.000 1.152 370 A CA -0.339 51.715 52.037 0.027 0.000 0.783 370 A CB 0.593 19.716 19.000 0.205 0.000 1.184 370 A HN 0.657 nan 8.150 nan 0.000 0.474 371 I N 2.650 123.125 120.570 -0.159 0.000 2.378 371 I HA 0.377 4.544 4.170 -0.005 0.000 0.291 371 I C -0.999 175.044 176.117 -0.124 0.000 0.992 371 I CA -0.425 60.813 61.300 -0.102 0.000 1.154 371 I CB 1.250 39.174 38.000 -0.127 0.000 1.315 371 I HN 0.649 nan 8.210 nan 0.000 0.448 372 Y N 3.583 123.843 120.300 -0.067 0.000 2.496 372 Y HA 0.745 5.292 4.550 -0.005 0.000 0.331 372 Y C 0.754 176.643 175.900 -0.019 0.000 1.140 372 Y CA -0.509 57.574 58.100 -0.028 0.000 1.166 372 Y CB 2.003 40.417 38.460 -0.076 0.000 1.249 372 Y HN 0.517 nan 8.280 nan 0.000 0.479 373 G N -0.778 108.124 108.800 0.170 0.000 2.569 373 G HA2 0.689 4.646 3.960 -0.005 0.000 0.300 373 G HA3 0.689 4.646 3.960 -0.005 0.000 0.300 373 G C -0.864 174.097 174.900 0.101 0.000 1.269 373 G CA -0.504 44.678 45.100 0.137 0.000 0.959 373 G HN 0.945 nan 8.290 nan 0.000 0.478 374 G N -1.421 107.330 108.800 -0.082 0.000 2.356 374 G HA2 0.245 4.202 3.960 -0.005 0.000 0.294 374 G HA3 0.245 4.202 3.960 -0.005 0.000 0.294 374 G C -0.150 174.332 174.900 -0.696 0.000 1.423 374 G CA -0.456 44.493 45.100 -0.252 0.000 0.806 374 G HN 0.606 nan 8.290 nan 0.000 0.527 375 N N -1.274 117.111 118.700 -0.525 0.000 2.373 375 N HA 0.211 4.948 4.740 -0.005 0.000 0.181 375 N C 0.408 175.791 175.510 -0.212 0.000 1.082 375 N CA 0.257 53.018 53.050 -0.481 0.000 0.885 375 N CB 0.219 38.442 38.487 -0.441 0.000 0.977 375 N HN 0.337 nan 8.380 nan 0.000 0.462 376 S N -0.033 115.455 115.700 -0.353 0.000 2.568 376 S HA 0.307 4.774 4.470 -0.005 0.000 0.302 376 S C -1.952 172.177 174.600 -0.785 0.000 1.082 376 S CA -1.312 56.447 58.200 -0.735 0.000 1.009 376 S CB 2.079 64.945 63.200 -0.557 0.000 1.069 376 S HN -0.061 nan 8.310 nan 0.000 0.500 377 P HA -0.170 nan 4.420 nan 0.000 0.215 377 P C 1.323 178.085 177.300 -0.897 0.000 1.157 377 P CA 1.649 64.095 63.100 -1.090 0.000 0.874 377 P CB 0.007 30.549 31.700 -1.930 0.000 0.790 378 A N 0.171 122.545 122.820 -0.743 0.000 1.849 378 A HA -0.210 4.107 4.320 -0.005 0.000 0.217 378 A C 2.376 179.798 177.584 -0.270 0.000 1.202 378 A CA 2.767 54.604 52.037 -0.332 0.000 0.629 378 A CB -1.726 17.224 19.000 -0.084 0.000 0.834 378 A HN 0.222 nan 8.150 nan 0.000 0.447 379 A N -1.647 121.019 122.820 -0.257 0.000 2.066 379 A HA 0.062 4.379 4.320 -0.005 0.000 0.218 379 A C 2.182 179.686 177.584 -0.134 0.000 1.157 379 A CA 1.499 53.421 52.037 -0.193 0.000 0.670 379 A CB -0.466 18.462 19.000 -0.120 0.000 0.804 379 A HN 0.586 nan 8.150 nan 0.000 0.453 380 M N -0.017 119.453 119.600 -0.216 0.000 2.229 380 M HA -0.117 4.360 4.480 -0.005 0.000 0.264 380 M C 1.551 177.797 176.300 -0.090 0.000 1.063 380 M CA 1.894 57.091 55.300 -0.172 0.000 1.114 380 M CB 0.024 32.476 32.600 -0.247 0.000 1.387 380 M HN 0.552 nan 8.290 nan 0.000 0.420 381 T N -3.985 110.507 114.554 -0.103 0.000 3.132 381 T HA 0.200 4.547 4.350 -0.005 0.000 0.274 381 T C 0.342 175.016 174.700 -0.044 0.000 1.011 381 T CA -0.383 61.703 62.100 -0.024 0.000 0.899 381 T CB -0.260 68.632 68.868 0.040 0.000 1.089 381 T HN 0.031 nan 8.240 nan 0.000 0.543 382 T N 3.630 118.115 114.554 -0.115 0.000 2.779 382 T HA 0.481 4.828 4.350 -0.005 0.000 0.296 382 T C -0.197 174.409 174.700 -0.156 0.000 0.938 382 T CA -0.231 61.718 62.100 -0.252 0.000 1.119 382 T CB 0.376 68.954 68.868 -0.483 0.000 0.891 382 T HN 0.202 nan 8.240 nan 0.000 0.526 383 R N 2.731 123.100 120.500 -0.219 0.000 2.625 383 R HA 0.265 4.602 4.340 -0.005 0.000 0.286 383 R C -1.346 174.854 176.300 -0.166 0.000 1.406 383 R CA -0.444 55.556 56.100 -0.166 0.000 1.052 383 R CB 0.596 30.837 30.300 -0.099 0.000 1.203 383 R HN 0.652 nan 8.270 nan 0.000 0.502 384 Y N 1.441 121.743 120.300 0.004 0.000 2.393 384 Y HA 0.254 4.801 4.550 -0.005 0.000 0.338 384 Y C 0.509 176.418 175.900 0.014 0.000 1.029 384 Y CA -0.685 57.460 58.100 0.074 0.000 1.239 384 Y CB 1.191 39.709 38.460 0.096 0.000 1.170 384 Y HN 0.141 nan 8.280 nan 0.000 0.515 385 V N 4.562 124.635 119.914 0.265 0.000 2.259 385 V HA 0.038 4.155 4.120 -0.005 0.000 0.267 385 V C 0.312 176.579 176.094 0.287 0.000 1.051 385 V CA -0.644 61.770 62.300 0.189 0.000 0.830 385 V CB 0.773 32.693 31.823 0.162 0.000 1.080 385 V HN 0.864 nan 8.190 nan 0.000 0.467 386 D N 4.214 124.775 120.400 0.268 0.000 2.218 386 D HA -0.114 4.523 4.640 -0.005 0.000 0.204 386 D C 2.138 178.609 176.300 0.284 0.000 0.976 386 D CA 1.609 55.785 54.000 0.295 0.000 0.853 386 D CB 0.204 41.128 40.800 0.208 0.000 0.939 386 D HN 0.683 nan 8.370 nan 0.000 0.481 387 G N 0.661 109.571 108.800 0.184 0.000 2.450 387 G HA2 -0.215 3.743 3.960 -0.005 0.000 0.220 387 G HA3 -0.215 3.743 3.960 -0.005 0.000 0.220 387 G C 1.707 176.710 174.900 0.171 0.000 1.130 387 G CA 0.978 46.184 45.100 0.177 0.000 0.760 387 G HN 0.381 nan 8.290 nan 0.000 0.557 388 G N 0.103 108.957 108.800 0.090 0.000 2.462 388 G HA2 -0.102 3.855 3.960 -0.005 0.000 0.220 388 G HA3 -0.102 3.855 3.960 -0.005 0.000 0.220 388 G C 1.453 176.274 174.900 -0.131 0.000 1.121 388 G CA 0.818 45.859 45.100 -0.097 0.000 0.758 388 G HN 0.419 nan 8.290 nan 0.000 0.559 389 F N 0.398 120.451 119.950 0.170 0.000 2.208 389 F HA 0.429 4.953 4.527 -0.005 0.000 0.282 389 F C 1.567 177.643 175.800 0.461 0.000 1.071 389 F CA 1.084 59.207 58.000 0.205 0.000 1.228 389 F CB -0.091 38.792 39.000 -0.194 0.000 1.088 389 F HN 0.316 nan 8.300 nan 0.000 0.512 390 G N -0.166 108.967 108.800 0.554 0.000 2.944 390 G HA2 0.007 3.964 3.960 -0.005 0.000 0.471 390 G HA3 0.007 3.964 3.960 -0.005 0.000 0.471 390 G C -0.201 174.910 174.900 0.351 0.000 1.388 390 G CA -0.702 44.711 45.100 0.521 0.000 1.087 390 G HN 0.004 nan 8.290 nan 0.000 0.596 391 M N 2.018 121.713 119.600 0.159 0.000 2.229 391 M HA 0.112 4.589 4.480 -0.005 0.000 0.264 391 M C 2.523 178.793 176.300 -0.050 0.000 1.063 391 M CA 2.770 58.107 55.300 0.062 0.000 1.114 391 M CB -0.368 32.146 32.600 -0.143 0.000 1.387 391 M HN 0.791 nan 8.290 nan 0.000 0.420 392 G N -0.674 108.023 108.800 -0.170 0.000 2.424 392 G HA2 -0.211 3.746 3.960 -0.005 0.000 0.214 392 G HA3 -0.211 3.746 3.960 -0.005 0.000 0.214 392 G C 1.547 176.302 174.900 -0.242 0.000 1.202 392 G CA 0.831 45.651 45.100 -0.467 0.000 0.793 392 G HN 0.418 nan 8.290 nan 0.000 0.534 393 K N -0.643 119.742 120.400 -0.025 0.000 2.107 393 K HA -0.200 4.117 4.320 -0.005 0.000 0.211 393 K C 1.557 178.057 176.600 -0.167 0.000 1.049 393 K CA 1.534 57.775 56.287 -0.077 0.000 0.927 393 K CB -0.303 32.214 32.500 0.029 0.000 0.714 393 K HN 0.439 nan 8.250 nan 0.000 0.452 394 Y N 0.408 120.728 120.300 0.033 0.000 2.532 394 Y HA 0.158 4.705 4.550 -0.005 0.000 0.283 394 Y C 0.222 176.135 175.900 0.021 0.000 1.181 394 Y CA -0.113 58.029 58.100 0.070 0.000 1.256 394 Y CB 0.387 38.929 38.460 0.136 0.000 1.112 394 Y HN -0.138 nan 8.280 nan 0.000 0.521 395 T N 1.417 115.975 114.554 0.007 0.000 2.916 395 T HA 0.232 4.579 4.350 -0.005 0.000 0.303 395 T C 0.520 175.195 174.700 -0.042 0.000 1.025 395 T CA 0.150 62.212 62.100 -0.064 0.000 1.142 395 T CB 0.365 69.051 68.868 -0.302 0.000 0.947 395 T HN 0.346 nan 8.240 nan 0.000 0.544 396 T N 2.432 116.971 114.554 -0.024 0.000 2.932 396 T HA 0.630 4.977 4.350 -0.005 0.000 0.289 396 T C -2.954 171.711 174.700 -0.057 0.000 1.039 396 T CA -2.445 59.641 62.100 -0.024 0.000 1.024 396 T CB 1.377 70.256 68.868 0.019 0.000 1.090 396 T HN 0.151 nan 8.240 nan 0.000 0.496 397 P HA 0.241 nan 4.420 nan 0.000 0.266 397 P C -0.763 176.496 177.300 -0.068 0.000 1.195 397 P CA -0.297 62.715 63.100 -0.148 0.000 0.768 397 P CB 0.290 31.782 31.700 -0.346 0.000 0.838 398 L N 2.556 123.752 121.223 -0.046 0.000 2.276 398 L HA 0.246 4.583 4.340 -0.005 0.000 0.286 398 L C 0.571 177.433 176.870 -0.013 0.000 1.061 398 L CA -0.313 54.549 54.840 0.037 0.000 0.807 398 L CB 0.647 42.810 42.059 0.173 0.000 1.177 398 L HN 0.276 nan 8.230 nan 0.000 0.429 399 T N 3.706 118.307 114.554 0.077 0.000 2.752 399 T HA 0.088 4.435 4.350 -0.005 0.000 0.295 399 T C 0.449 175.172 174.700 0.038 0.000 0.923 399 T CA -0.231 61.947 62.100 0.130 0.000 1.112 399 T CB 0.076 69.046 68.868 0.169 0.000 0.884 399 T HN 0.426 nan 8.240 nan 0.000 0.525 400 R N 2.536 122.944 120.500 -0.155 0.000 2.458 400 R HA 0.261 4.598 4.340 -0.005 0.000 0.303 400 R C 1.372 177.682 176.300 0.018 0.000 1.013 400 R CA 1.255 57.178 56.100 -0.295 0.000 1.026 400 R CB -0.446 29.380 30.300 -0.790 0.000 0.948 400 R HN 0.997 nan 8.270 nan 0.000 0.417 401 G N 2.178 111.016 108.800 0.063 0.000 2.217 401 G HA2 -0.280 3.677 3.960 -0.005 0.000 0.246 401 G HA3 -0.280 3.677 3.960 -0.005 0.000 0.246 401 G C 0.332 175.293 174.900 0.102 0.000 0.990 401 G CA 0.204 45.408 45.100 0.173 0.000 0.627 401 G HN 0.499 nan 8.290 nan 0.000 0.522 402 V N 0.083 120.043 119.914 0.076 0.000 2.840 402 V HA 0.164 4.281 4.120 -0.005 0.000 0.234 402 V C 2.168 178.268 176.094 0.010 0.000 1.159 402 V CA 1.666 63.986 62.300 0.033 0.000 1.194 402 V CB -0.106 31.737 31.823 0.035 0.000 0.971 402 V HN 0.185 nan 8.190 nan 0.000 0.494 403 D N -0.168 120.254 120.400 0.037 0.000 2.149 403 D HA 0.002 4.639 4.640 -0.005 0.000 0.201 403 D C 0.567 176.881 176.300 0.023 0.000 0.972 403 D CA 1.090 55.110 54.000 0.033 0.000 0.835 403 D CB 0.137 40.978 40.800 0.069 0.000 0.966 403 D HN 0.428 nan 8.370 nan 0.000 0.476 404 c N -0.526 118.091 118.600 0.028 0.000 3.154 404 c HA 0.458 5.025 4.570 -0.005 0.000 0.312 404 c C -2.443 171.532 174.090 -0.193 0.000 1.349 404 c CA -1.768 54.466 56.329 -0.159 0.000 1.518 404 c CB 1.628 44.043 42.510 -0.157 0.000 1.934 404 c HN 0.007 nan 8.230 nan 0.000 0.462 405 P HA 0.020 nan 4.420 nan 0.000 0.267 405 P C 0.108 177.401 177.300 -0.012 0.000 1.200 405 P CA 0.284 63.234 63.100 -0.251 0.000 0.772 405 P CB 0.267 31.709 31.700 -0.429 0.000 0.855 406 Y N 2.162 122.468 120.300 0.010 0.000 2.207 406 Y HA -0.137 4.410 4.550 -0.004 0.000 0.287 406 Y C 1.478 177.485 175.900 0.178 0.000 1.156 406 Y CA 1.548 59.721 58.100 0.122 0.000 1.182 406 Y CB -0.129 38.383 38.460 0.087 0.000 0.979 406 Y HN 0.210 nan 8.280 nan 0.000 0.521 407 L N 0.384 121.775 121.223 0.280 0.000 2.728 407 L HA 0.285 4.622 4.340 -0.005 0.000 0.235 407 L C 0.805 177.841 176.870 0.277 0.000 1.197 407 L CA -0.450 54.547 54.840 0.261 0.000 0.992 407 L CB -0.623 41.501 42.059 0.108 0.000 1.263 407 L HN 0.113 nan 8.230 nan 0.000 0.484 408 A N -0.264 122.640 122.820 0.140 0.000 2.366 408 A HA 0.430 4.747 4.320 -0.005 0.000 0.249 408 A C 0.354 177.908 177.584 -0.049 0.000 1.084 408 A CA -0.037 52.021 52.037 0.035 0.000 0.794 408 A CB 0.214 18.996 19.000 -0.364 0.000 1.034 408 A HN 0.193 nan 8.150 nan 0.000 0.491 409 T N 1.746 116.349 114.554 0.082 0.000 2.771 409 T HA 0.441 4.788 4.350 -0.005 0.000 0.291 409 T C -1.008 173.639 174.700 -0.089 0.000 0.954 409 T CA 0.596 62.755 62.100 0.099 0.000 1.045 409 T CB -0.138 68.879 68.868 0.249 0.000 0.917 409 T HN 0.356 nan 8.240 nan 0.000 0.484 410 Y N 1.890 122.287 120.300 0.161 0.000 2.331 410 Y HA 0.510 5.057 4.550 -0.005 0.000 0.338 410 Y C 0.113 176.119 175.900 0.177 0.000 0.976 410 Y CA -0.929 57.255 58.100 0.140 0.000 1.137 410 Y CB 1.128 39.620 38.460 0.053 0.000 1.172 410 Y HN 0.317 nan 8.280 nan 0.000 0.478 411 V N 3.500 123.644 119.914 0.384 0.000 2.513 411 V HA 0.280 4.397 4.120 -0.005 0.000 0.299 411 V C -0.376 175.986 176.094 0.447 0.000 1.035 411 V CA -1.168 61.386 62.300 0.424 0.000 0.889 411 V CB 1.599 33.738 31.823 0.527 0.000 0.988 411 V HN 0.632 nan 8.190 nan 0.000 0.440 412 D N 1.874 122.459 120.400 0.309 0.000 2.362 412 D HA 0.246 4.883 4.640 -0.005 0.000 0.242 412 D C -0.740 175.709 176.300 0.248 0.000 1.132 412 D CA 0.094 54.197 54.000 0.173 0.000 0.907 412 D CB 1.048 41.854 40.800 0.009 0.000 1.195 412 D HN 0.586 nan 8.370 nan 0.000 0.429 413 W N 2.047 123.289 121.300 -0.096 0.000 2.702 413 W HA 0.267 4.924 4.660 -0.005 0.000 0.331 413 W C -0.818 175.603 176.519 -0.163 0.000 1.049 413 W CA -0.465 56.868 57.345 -0.019 0.000 1.230 413 W CB 0.824 30.321 29.460 0.062 0.000 1.408 413 W HN 0.277 nan 8.180 nan 0.000 0.492 414 H N 6.098 124.957 119.070 -0.351 0.000 2.492 414 H HA 0.599 5.152 4.556 -0.005 0.000 0.345 414 H C -0.815 174.032 175.328 -0.801 0.000 1.136 414 H CA -0.549 55.232 56.048 -0.445 0.000 1.202 414 H CB 1.702 31.301 29.762 -0.272 0.000 1.524 414 H HN 0.426 nan 8.280 nan 0.000 0.506 415 F N 0.491 120.081 119.950 -0.601 0.000 2.693 415 F HA 0.464 4.988 4.527 -0.005 0.000 0.309 415 F C -2.028 173.586 175.800 -0.311 0.000 1.129 415 F CA -1.279 56.342 58.000 -0.631 0.000 0.948 415 F CB 1.363 39.841 39.000 -0.870 0.000 1.315 415 F HN 0.263 nan 8.300 nan 0.000 0.447 416 L N 3.930 125.087 121.223 -0.110 0.000 2.454 416 L HA 0.655 4.992 4.340 -0.005 0.000 0.258 416 L C -1.946 174.921 176.870 -0.007 0.000 1.025 416 L CA -0.645 54.130 54.840 -0.109 0.000 0.901 416 L CB 1.058 43.047 42.059 -0.116 0.000 1.210 416 L HN 0.719 nan 8.230 nan 0.000 0.457 417 L N 3.994 125.285 121.223 0.113 0.000 2.406 417 L HA 0.496 4.833 4.340 -0.005 0.000 0.272 417 L C 0.414 177.286 176.870 0.003 0.000 0.980 417 L CA -0.678 54.151 54.840 -0.019 0.000 0.831 417 L CB 1.861 43.919 42.059 -0.002 0.000 1.253 417 L HN 0.495 nan 8.230 nan 0.000 0.406 418 E N 0.811 120.925 120.200 -0.144 0.000 2.539 418 E HA -0.239 4.108 4.350 -0.005 0.000 0.253 418 E C -0.111 176.549 176.600 0.100 0.000 1.145 418 E CA 0.930 57.332 56.400 0.003 0.000 0.738 418 E CB -0.843 28.909 29.700 0.086 0.000 1.308 418 E HN 0.779 nan 8.360 nan 0.000 0.409 419 S N -1.987 113.741 115.700 0.046 0.000 2.819 419 S HA 0.460 4.927 4.470 -0.005 0.000 0.299 419 S C 0.312 174.915 174.600 0.004 0.000 1.192 419 S CA -0.942 57.284 58.200 0.043 0.000 0.847 419 S CB 1.787 65.007 63.200 0.034 0.000 1.224 419 S HN 0.078 nan 8.310 nan 0.000 0.537 420 Q N -0.499 119.298 119.800 -0.005 0.000 2.164 420 Q HA 0.483 4.820 4.340 -0.005 0.000 0.226 420 Q C -0.162 175.816 176.000 -0.037 0.000 0.813 420 Q CA 0.119 55.913 55.803 -0.014 0.000 0.978 420 Q CB 1.527 30.266 28.738 0.002 0.000 1.149 420 Q HN 0.811 nan 8.270 nan 0.000 0.489 421 A N 2.230 125.013 122.820 -0.060 0.000 2.449 421 A HA 0.648 4.965 4.320 -0.005 0.000 0.302 421 A C -2.686 174.802 177.584 -0.160 0.000 1.048 421 A CA -1.526 50.457 52.037 -0.090 0.000 0.708 421 A CB 1.135 20.092 19.000 -0.072 0.000 1.274 421 A HN -0.157 nan 8.150 nan 0.000 0.410 422 P HA 0.322 nan 4.420 nan 0.000 0.272 422 P C -0.668 176.392 177.300 -0.400 0.000 1.223 422 P CA 0.178 63.089 63.100 -0.315 0.000 0.784 422 P CB 0.868 32.418 31.700 -0.250 0.000 0.923 423 K N 0.107 120.060 120.400 -0.745 0.000 2.261 423 K HA 0.670 4.987 4.320 -0.005 0.000 0.242 423 K C -0.494 175.735 176.600 -0.619 0.000 1.083 423 K CA -0.671 55.190 56.287 -0.711 0.000 0.880 423 K CB 1.544 33.519 32.500 -0.874 0.000 1.353 423 K HN 0.304 nan 8.250 nan 0.000 0.486 424 T N 0.964 115.374 114.554 -0.241 0.000 2.886 424 T HA 0.478 4.825 4.350 -0.005 0.000 0.292 424 T C -0.750 174.067 174.700 0.195 0.000 1.012 424 T CA -0.612 61.479 62.100 -0.015 0.000 0.982 424 T CB 0.797 69.669 68.868 0.008 0.000 1.018 424 T HN 0.292 nan 8.240 nan 0.000 0.451 425 I N 2.993 123.724 120.570 0.269 0.000 2.312 425 I HA 0.376 4.543 4.170 -0.005 0.000 0.290 425 I C 0.628 176.785 176.117 0.067 0.000 1.008 425 I CA -0.614 60.799 61.300 0.188 0.000 1.226 425 I CB 0.933 39.075 38.000 0.237 0.000 1.371 425 I HN 0.297 nan 8.210 nan 0.000 0.468 426 R N 5.327 125.819 120.500 -0.013 0.000 2.438 426 R HA 0.135 4.472 4.340 -0.005 0.000 0.287 426 R C -0.343 175.917 176.300 -0.066 0.000 1.077 426 R CA -0.189 55.881 56.100 -0.049 0.000 1.034 426 R CB 0.317 30.553 30.300 -0.108 0.000 0.993 426 R HN 0.572 nan 8.270 nan 0.000 0.459 427 D N 1.709 122.115 120.400 0.010 0.000 2.689 427 D HA -0.212 4.425 4.640 -0.005 0.000 0.237 427 D C 0.441 176.783 176.300 0.071 0.000 1.148 427 D CA 1.171 55.219 54.000 0.081 0.000 0.656 427 D CB -0.984 39.769 40.800 -0.079 0.000 1.050 427 D HN 0.731 nan 8.370 nan 0.000 0.426 428 A N -0.923 121.912 122.820 0.025 0.000 2.016 428 A HA 0.193 4.510 4.320 -0.005 0.000 0.217 428 A C 0.709 178.058 177.584 -0.392 0.000 1.162 428 A CA 0.663 52.567 52.037 -0.221 0.000 0.662 428 A CB 0.234 19.034 19.000 -0.333 0.000 0.812 428 A HN 0.230 nan 8.150 nan 0.000 0.450 429 F N -1.241 118.799 119.950 0.151 0.000 2.538 429 F HA 0.537 5.061 4.527 -0.005 0.000 0.325 429 F C 0.249 176.090 175.800 0.068 0.000 1.066 429 F CA -1.029 57.024 58.000 0.089 0.000 0.946 429 F CB 1.687 40.728 39.000 0.067 0.000 1.199 429 F HN 0.200 nan 8.300 nan 0.000 0.473 430 c N 0.756 119.466 118.600 0.182 0.000 2.609 430 c HA 0.945 5.512 4.570 -0.005 0.000 0.313 430 c C -1.221 172.878 174.090 0.015 0.000 1.175 430 c CA -0.935 55.386 56.329 -0.014 0.000 1.434 430 c CB 0.619 43.039 42.510 -0.149 0.000 2.005 430 c HN 0.644 nan 8.230 nan 0.000 0.471 431 V N 4.170 124.071 119.914 -0.022 0.000 2.531 431 V HA 0.869 4.986 4.120 -0.005 0.000 0.301 431 V C -0.388 175.719 176.094 0.020 0.000 1.034 431 V CA -0.139 62.072 62.300 -0.150 0.000 0.865 431 V CB 1.162 32.843 31.823 -0.236 0.000 0.995 431 V HN 1.031 nan 8.190 nan 0.000 0.424 432 F N 0.734 120.496 119.950 -0.313 0.000 2.678 432 F HA 0.665 5.189 4.527 -0.004 0.000 0.308 432 F C -0.695 175.039 175.800 -0.111 0.000 1.118 432 F CA -1.034 56.929 58.000 -0.063 0.000 0.959 432 F CB 1.414 40.481 39.000 0.112 0.000 1.305 432 F HN 0.361 nan 8.300 nan 0.000 0.443 433 E N 1.534 121.943 120.200 0.349 0.000 2.259 433 E HA 0.280 4.627 4.350 -0.005 0.000 0.281 433 E C -1.267 175.610 176.600 0.460 0.000 1.027 433 E CA -0.644 55.929 56.400 0.288 0.000 0.838 433 E CB 1.699 31.605 29.700 0.343 0.000 1.066 433 E HN 0.591 nan 8.360 nan 0.000 0.401 434 Q N 3.319 123.285 119.800 0.277 0.000 2.325 434 Q HA 0.143 4.480 4.340 -0.005 0.000 0.270 434 Q C -0.995 175.106 176.000 0.168 0.000 1.020 434 Q CA -0.668 55.303 55.803 0.280 0.000 0.785 434 Q CB 0.986 29.918 28.738 0.323 0.000 1.259 434 Q HN 0.335 nan 8.270 nan 0.000 0.452 435 N N 3.345 122.135 118.700 0.151 0.000 2.431 435 N HA -0.015 4.722 4.740 -0.005 0.000 0.265 435 N C 0.129 175.699 175.510 0.100 0.000 1.184 435 N CA 0.262 53.381 53.050 0.114 0.000 0.943 435 N CB 0.987 39.530 38.487 0.093 0.000 1.080 435 N HN 0.689 nan 8.380 nan 0.000 0.477 436 Q N 2.754 122.612 119.800 0.097 0.000 2.291 436 Q HA -0.002 4.335 4.340 -0.005 0.000 0.205 436 Q C 0.827 176.876 176.000 0.081 0.000 0.970 436 Q CA 0.834 56.692 55.803 0.092 0.000 0.876 436 Q CB -0.114 28.685 28.738 0.102 0.000 0.935 436 Q HN 0.907 nan 8.270 nan 0.000 0.455 437 G N 1.317 110.164 108.800 0.079 0.000 2.225 437 G HA2 -0.229 3.728 3.960 -0.005 0.000 0.264 437 G HA3 -0.229 3.728 3.960 -0.005 0.000 0.264 437 G C -0.431 174.511 174.900 0.070 0.000 1.060 437 G CA 0.572 45.713 45.100 0.068 0.000 0.833 437 G HN 0.305 nan 8.290 nan 0.000 0.498 438 L N -0.426 120.847 121.223 0.082 0.000 2.592 438 L HA 0.752 5.089 4.340 -0.005 0.000 0.258 438 L C -2.438 174.491 176.870 0.099 0.000 0.926 438 L CA -1.683 53.208 54.840 0.084 0.000 0.885 438 L CB 2.152 44.260 42.059 0.081 0.000 1.380 438 L HN -0.063 nan 8.230 nan 0.000 0.415 439 P HA 0.132 nan 4.420 nan 0.000 0.274 439 P C 0.216 177.577 177.300 0.102 0.000 1.231 439 P CA -0.401 62.768 63.100 0.115 0.000 0.790 439 P CB 1.320 33.097 31.700 0.129 0.000 0.951 440 L N 2.164 123.451 121.223 0.107 0.000 2.095 440 L HA 0.056 4.393 4.340 -0.005 0.000 0.204 440 L C 0.960 177.872 176.870 0.071 0.000 1.080 440 L CA 1.637 56.537 54.840 0.100 0.000 0.759 440 L CB -0.298 41.831 42.059 0.116 0.000 0.914 440 L HN 0.496 nan 8.230 nan 0.000 0.439 441 R N -0.793 119.748 120.500 0.067 0.000 2.680 441 R HA 0.654 4.991 4.340 -0.005 0.000 0.269 441 R C -1.044 175.274 176.300 0.029 0.000 1.026 441 R CA -0.920 55.205 56.100 0.041 0.000 0.889 441 R CB 1.349 31.668 30.300 0.032 0.000 1.241 441 R HN -0.105 nan 8.270 nan 0.000 0.463 442 R N 1.745 122.251 120.500 0.010 0.000 2.579 442 R HA 0.281 4.618 4.340 -0.005 0.000 0.260 442 R C -2.144 174.153 176.300 -0.004 0.000 1.103 442 R CA -0.739 55.338 56.100 -0.038 0.000 0.942 442 R CB 2.108 32.457 30.300 0.082 0.000 1.251 442 R HN 0.931 nan 8.270 nan 0.000 0.450 443 H N 1.802 120.680 119.070 -0.319 0.000 3.083 443 H HA 0.300 4.853 4.556 -0.005 0.000 0.339 443 H C -1.775 173.404 175.328 -0.248 0.000 1.020 443 H CA -0.367 55.568 56.048 -0.189 0.000 1.360 443 H CB 0.876 30.578 29.762 -0.100 0.000 1.811 443 H HN 0.687 nan 8.280 nan 0.000 0.493 444 H N 2.915 121.676 119.070 -0.514 0.000 2.504 444 H HA 0.518 5.071 4.556 -0.005 0.000 0.322 444 H C -0.907 173.996 175.328 -0.709 0.000 1.055 444 H CA -0.319 55.527 56.048 -0.337 0.000 1.231 444 H CB 1.136 30.890 29.762 -0.014 0.000 1.417 444 H HN 0.427 nan 8.280 nan 0.000 0.472 445 S N 3.647 118.733 115.700 -1.023 0.000 2.474 445 S HA 0.171 4.638 4.470 -0.005 0.000 0.321 445 S C -0.146 174.184 174.600 -0.450 0.000 1.080 445 S CA -0.746 56.978 58.200 -0.794 0.000 1.106 445 S CB 0.569 63.053 63.200 -1.193 0.000 0.984 445 S HN 0.819 nan 8.310 nan 0.000 0.464 446 D N 3.239 123.546 120.400 -0.156 0.000 2.369 446 D HA 0.123 4.760 4.640 -0.005 0.000 0.211 446 D C -0.214 176.135 176.300 0.081 0.000 1.077 446 D CA 0.084 54.119 54.000 0.059 0.000 0.842 446 D CB 0.429 41.251 40.800 0.037 0.000 0.947 446 D HN 0.379 nan 8.370 nan 0.000 0.509 447 L N 0.753 121.927 121.223 -0.082 0.000 2.264 447 L HA 0.157 4.494 4.340 -0.005 0.000 0.287 447 L C -0.087 176.646 176.870 -0.227 0.000 1.039 447 L CA -0.054 54.621 54.840 -0.275 0.000 0.829 447 L CB -0.284 41.589 42.059 -0.311 0.000 1.211 447 L HN 0.101 nan 8.230 nan 0.000 0.427 448 Y N 1.019 121.296 120.300 -0.038 0.000 3.299 448 Y HA -0.344 4.203 4.550 -0.005 0.000 0.448 448 Y C 0.862 176.673 175.900 -0.149 0.000 1.224 448 Y CA 1.196 59.252 58.100 -0.073 0.000 2.431 448 Y CB -1.378 37.074 38.460 -0.014 0.000 0.866 448 Y HN 0.624 nan 8.280 nan 0.000 0.499 449 S N 0.240 115.952 115.700 0.020 0.000 2.776 449 S HA 0.407 4.874 4.470 -0.005 0.000 0.284 449 S C -1.155 173.476 174.600 0.052 0.000 1.160 449 S CA -0.749 57.476 58.200 0.040 0.000 1.051 449 S CB 0.455 63.807 63.200 0.254 0.000 1.037 449 S HN 0.237 nan 8.310 nan 0.000 0.485 450 H N 5.074 124.210 119.070 0.110 0.000 2.864 450 H HA 0.403 4.956 4.556 -0.005 0.000 0.281 450 H C -0.423 174.930 175.328 0.042 0.000 1.093 450 H CA 0.069 56.099 56.048 -0.030 0.000 1.453 450 H CB -0.421 29.331 29.762 -0.017 0.000 1.462 450 H HN 0.697 nan 8.280 nan 0.000 0.480 451 Y N 1.320 121.586 120.300 -0.055 0.000 2.592 451 Y HA 0.500 5.047 4.550 -0.005 0.000 0.334 451 Y C -2.052 173.665 175.900 -0.306 0.000 1.136 451 Y CA -1.720 56.268 58.100 -0.187 0.000 1.042 451 Y CB 1.184 39.600 38.460 -0.073 0.000 1.325 451 Y HN 0.292 nan 8.280 nan 0.000 0.457 452 F N 1.462 121.054 119.950 -0.596 0.000 2.532 452 F HA 0.926 5.450 4.527 -0.005 0.000 0.321 452 F C -0.490 175.096 175.800 -0.358 0.000 1.089 452 F CA -0.779 56.874 58.000 -0.579 0.000 0.926 452 F CB 2.367 40.894 39.000 -0.789 0.000 1.168 452 F HN 0.947 nan 8.300 nan 0.000 0.459 453 G N 2.485 110.773 108.800 -0.854 0.000 2.741 453 G HA2 0.600 4.557 3.960 -0.005 0.000 0.293 453 G HA3 0.600 4.557 3.960 -0.005 0.000 0.293 453 G C -1.288 173.211 174.900 -0.668 0.000 1.457 453 G CA -0.349 44.508 45.100 -0.403 0.000 1.098 453 G HN 1.137 nan 8.290 nan 0.000 0.536 454 G N -0.506 108.096 108.800 -0.329 0.000 2.600 454 G HA2 0.734 4.691 3.960 -0.005 0.000 0.293 454 G HA3 0.734 4.691 3.960 -0.005 0.000 0.293 454 G C -2.272 172.686 174.900 0.098 0.000 1.408 454 G CA -0.718 44.313 45.100 -0.115 0.000 0.782 454 G HN 1.413 nan 8.290 nan 0.000 0.482 455 L N 0.026 121.319 121.223 0.117 0.000 2.493 455 L HA 0.848 5.185 4.340 -0.005 0.000 0.265 455 L C 0.035 176.987 176.870 0.138 0.000 0.954 455 L CA -0.590 54.327 54.840 0.129 0.000 0.844 455 L CB 1.601 43.719 42.059 0.098 0.000 1.302 455 L HN 1.286 nan 8.230 nan 0.000 0.405 456 A N 3.423 126.328 122.820 0.140 0.000 2.388 456 A HA 0.466 4.783 4.320 -0.005 0.000 0.257 456 A C -0.072 177.586 177.584 0.123 0.000 1.095 456 A CA -0.297 51.817 52.037 0.129 0.000 0.791 456 A CB 0.193 19.264 19.000 0.119 0.000 1.029 456 A HN 0.788 nan 8.150 nan 0.000 0.489 457 E N 1.484 121.758 120.200 0.124 0.000 2.223 457 E HA 0.342 4.689 4.350 -0.005 0.000 0.282 457 E C -0.809 175.864 176.600 0.122 0.000 1.046 457 E CA -0.055 56.426 56.400 0.135 0.000 0.857 457 E CB 0.543 30.336 29.700 0.155 0.000 1.055 457 E HN 0.556 nan 8.360 nan 0.000 0.409 458 T N 3.941 118.569 114.554 0.124 0.000 2.807 458 T HA 0.385 4.732 4.350 -0.005 0.000 0.279 458 T C -0.605 174.147 174.700 0.086 0.000 0.993 458 T CA -0.715 61.452 62.100 0.112 0.000 0.970 458 T CB 1.190 70.135 68.868 0.129 0.000 0.950 458 T HN 0.400 nan 8.240 nan 0.000 0.441 459 V N 2.029 121.952 119.914 0.015 0.000 2.815 459 V HA 0.876 4.993 4.120 -0.005 0.000 0.314 459 V C -0.730 175.295 176.094 -0.116 0.000 1.064 459 V CA -1.224 61.016 62.300 -0.100 0.000 0.952 459 V CB 1.666 33.300 31.823 -0.313 0.000 1.020 459 V HN 0.714 nan 8.190 nan 0.000 0.439 460 L N 3.842 124.975 121.223 -0.150 0.000 2.307 460 L HA 0.855 5.192 4.340 -0.005 0.000 0.284 460 L C -0.623 176.040 176.870 -0.343 0.000 1.023 460 L CA 0.014 54.698 54.840 -0.259 0.000 0.810 460 L CB 1.621 43.582 42.059 -0.164 0.000 1.231 460 L HN 0.682 nan 8.230 nan 0.000 0.423 461 V N 5.120 124.656 119.914 -0.630 0.000 2.735 461 V HA 0.643 4.760 4.120 -0.005 0.000 0.310 461 V C -0.832 174.918 176.094 -0.574 0.000 1.061 461 V CA -0.688 61.195 62.300 -0.694 0.000 0.913 461 V CB 2.212 33.364 31.823 -1.120 0.000 1.005 461 V HN 0.526 nan 8.190 nan 0.000 0.428 462 V N 4.484 124.205 119.914 -0.322 0.000 2.483 462 V HA 0.634 4.751 4.120 -0.005 0.000 0.297 462 V C -0.276 175.780 176.094 -0.063 0.000 1.027 462 V CA -0.645 61.545 62.300 -0.184 0.000 0.855 462 V CB 1.730 33.481 31.823 -0.120 0.000 0.995 462 V HN 0.910 nan 8.190 nan 0.000 0.424 463 R N 3.299 123.827 120.500 0.048 0.000 2.686 463 R HA 0.826 5.164 4.340 -0.005 0.000 0.283 463 R C -0.641 175.770 176.300 0.185 0.000 0.978 463 R CA -0.140 56.043 56.100 0.138 0.000 0.897 463 R CB 2.236 32.643 30.300 0.177 0.000 1.192 463 R HN 0.875 nan 8.270 nan 0.000 0.457 464 S N 3.313 119.134 115.700 0.202 0.000 2.661 464 S HA 0.647 5.114 4.470 -0.005 0.000 0.285 464 S C -0.691 174.024 174.600 0.191 0.000 1.138 464 S CA -1.066 57.200 58.200 0.109 0.000 0.855 464 S CB 1.914 65.065 63.200 -0.082 0.000 1.136 464 S HN 0.552 nan 8.310 nan 0.000 0.484 465 M N 1.781 121.446 119.600 0.108 0.000 2.263 465 M HA 0.437 4.914 4.480 -0.005 0.000 0.295 465 M C -1.189 175.202 176.300 0.150 0.000 1.028 465 M CA -0.409 54.958 55.300 0.111 0.000 0.921 465 M CB 2.561 35.183 32.600 0.037 0.000 1.601 465 M HN 0.680 nan 8.290 nan 0.000 0.440 466 S N 1.498 117.366 115.700 0.281 0.000 2.429 466 S HA 0.479 4.946 4.470 -0.005 0.000 0.302 466 S C -0.298 174.428 174.600 0.212 0.000 1.115 466 S CA -0.624 57.763 58.200 0.312 0.000 1.095 466 S CB 1.117 64.644 63.200 0.544 0.000 0.987 466 S HN 0.594 nan 8.310 nan 0.000 0.474 467 T N 4.346 118.997 114.554 0.161 0.000 2.853 467 T HA 0.397 4.744 4.350 -0.005 0.000 0.317 467 T C -0.477 174.291 174.700 0.114 0.000 1.059 467 T CA -0.357 61.794 62.100 0.085 0.000 0.954 467 T CB -0.184 68.737 68.868 0.088 0.000 0.994 467 T HN 0.314 nan 8.240 nan 0.000 0.479 468 L N 5.656 126.857 121.223 -0.036 0.000 2.277 468 L HA 0.488 4.825 4.340 -0.005 0.000 0.284 468 L C 0.587 177.256 176.870 -0.334 0.000 1.028 468 L CA -0.245 54.466 54.840 -0.216 0.000 0.835 468 L CB 0.399 42.279 42.059 -0.299 0.000 1.215 468 L HN 0.663 nan 8.230 nan 0.000 0.425 469 L N 0.897 121.988 121.223 -0.221 0.000 5.712 469 L HA -0.405 3.932 4.340 -0.005 0.000 0.053 469 L C 0.879 177.556 176.870 -0.322 0.000 2.787 469 L CA 1.537 56.275 54.840 -0.170 0.000 1.527 469 L CB -0.976 40.886 42.059 -0.328 0.000 2.908 469 L HN 0.938 nan 8.230 nan 0.000 0.994 473 Y N 0.680 120.877 120.300 -0.171 0.000 2.335 473 Y HA 0.469 5.016 4.550 -0.005 0.000 0.331 473 Y C 0.528 176.074 175.900 -0.591 0.000 1.094 473 Y CA -0.679 57.154 58.100 -0.446 0.000 1.253 473 Y CB 1.017 39.111 38.460 -0.608 0.000 1.203 473 Y HN 0.108 nan 8.280 nan 0.000 0.508 474 V N 3.636 123.337 119.914 -0.354 0.000 2.370 474 V HA 0.195 4.312 4.120 -0.005 0.000 0.283 474 V C -1.008 174.930 176.094 -0.261 0.000 1.023 474 V CA -1.165 61.000 62.300 -0.225 0.000 0.857 474 V CB 0.291 32.112 31.823 -0.003 0.000 0.985 474 V HN 0.659 nan 8.190 nan 0.000 0.443 475 W N 2.667 124.093 121.300 0.210 0.000 2.361 475 W HA 0.633 5.291 4.660 -0.005 0.000 0.314 475 W C -0.397 176.172 176.519 0.084 0.000 1.041 475 W CA -0.540 56.904 57.345 0.164 0.000 1.241 475 W CB 1.088 30.605 29.460 0.094 0.000 1.279 475 W HN 0.394 nan 8.180 nan 0.000 0.436 476 D N 1.815 122.349 120.400 0.223 0.000 2.362 476 D HA 0.437 5.074 4.640 -0.005 0.000 0.247 476 D C -0.524 175.675 176.300 -0.168 0.000 1.050 476 D CA -0.461 53.553 54.000 0.024 0.000 0.839 476 D CB 1.988 42.798 40.800 0.017 0.000 1.283 476 D HN 0.065 nan 8.370 nan 0.000 0.477 477 T N 1.032 115.417 114.554 -0.282 0.000 2.792 477 T HA 0.493 4.840 4.350 -0.005 0.000 0.280 477 T C -0.268 174.008 174.700 -0.707 0.000 0.990 477 T CA -0.596 61.159 62.100 -0.574 0.000 0.960 477 T CB 1.293 69.783 68.868 -0.630 0.000 0.939 477 T HN -0.021 nan 8.240 nan 0.000 0.439 478 V N 4.130 123.544 119.914 -0.833 0.000 2.448 478 V HA 0.513 4.630 4.120 -0.005 0.000 0.295 478 V C -0.959 174.596 176.094 -0.899 0.000 1.025 478 V CA -0.906 60.977 62.300 -0.695 0.000 0.859 478 V CB 1.081 32.632 31.823 -0.453 0.000 0.988 478 V HN 0.814 nan 8.190 nan 0.000 0.431 479 F N 3.743 123.328 119.950 -0.609 0.000 2.361 479 F HA 0.496 5.020 4.527 -0.005 0.000 0.364 479 F C 0.787 176.438 175.800 -0.249 0.000 1.117 479 F CA -0.405 57.154 58.000 -0.736 0.000 1.071 479 F CB 0.671 38.819 39.000 -1.421 0.000 1.188 479 F HN 0.472 nan 8.300 nan 0.000 0.464 480 H N 4.368 123.575 119.070 0.229 0.000 2.481 480 H HA 0.170 4.723 4.556 -0.005 0.000 0.339 480 H C -1.647 174.041 175.328 0.600 0.000 1.131 480 H CA -1.654 54.603 56.048 0.349 0.000 1.301 480 H CB 1.723 31.625 29.762 0.232 0.000 1.476 480 H HN 0.304 nan 8.280 nan 0.000 0.529 481 P HA -0.093 nan 4.420 nan 0.000 0.233 481 P C 1.233 178.737 177.300 0.339 0.000 1.167 481 P CA 0.726 64.101 63.100 0.459 0.000 0.770 481 P CB 0.138 32.019 31.700 0.302 0.000 0.837 482 S N -1.414 114.444 115.700 0.264 0.000 2.522 482 S HA 0.209 4.676 4.470 -0.005 0.000 0.227 482 S C 1.695 176.257 174.600 -0.063 0.000 0.986 482 S CA 0.717 58.977 58.200 0.100 0.000 0.929 482 S CB -1.269 61.983 63.200 0.087 0.000 0.769 482 S HN 0.289 nan 8.310 nan 0.000 0.529 483 G N 0.442 109.209 108.800 -0.055 0.000 2.159 483 G HA2 -0.016 3.941 3.960 -0.005 0.000 0.227 483 G HA3 -0.016 3.941 3.960 -0.005 0.000 0.227 483 G C 0.157 175.224 174.900 0.277 0.000 0.986 483 G CA -0.174 44.647 45.100 -0.464 0.000 0.651 483 G HN 1.201 nan 8.290 nan 0.000 0.523 484 A N -0.001 123.023 122.820 0.340 0.000 2.354 484 A HA 0.766 5.083 4.320 -0.005 0.000 0.269 484 A C 0.298 178.068 177.584 0.311 0.000 1.109 484 A CA -0.010 52.214 52.037 0.313 0.000 0.800 484 A CB 0.426 19.498 19.000 0.120 0.000 1.045 484 A HN 0.763 nan 8.150 nan 0.000 0.489 485 I N 1.297 121.945 120.570 0.130 0.000 2.404 485 I HA 0.370 4.537 4.170 -0.005 0.000 0.293 485 I C 0.120 176.047 176.117 -0.316 0.000 0.992 485 I CA -0.184 60.972 61.300 -0.241 0.000 1.149 485 I CB 1.756 39.552 38.000 -0.340 0.000 1.315 485 I HN 0.799 nan 8.210 nan 0.000 0.446 486 E N 6.689 126.570 120.200 -0.532 0.000 2.224 486 E HA 0.530 4.877 4.350 -0.005 0.000 0.265 486 E C -1.619 174.443 176.600 -0.897 0.000 0.878 486 E CA -0.755 55.167 56.400 -0.798 0.000 0.759 486 E CB 1.947 31.185 29.700 -0.770 0.000 1.164 486 E HN 0.433 nan 8.360 nan 0.000 0.414 487 I N 4.109 123.974 120.570 -1.175 0.000 2.354 487 I HA 0.417 4.585 4.170 -0.005 0.000 0.292 487 I C 0.008 175.613 176.117 -0.854 0.000 0.989 487 I CA -0.221 60.419 61.300 -1.101 0.000 1.188 487 I CB 1.457 38.504 38.000 -1.589 0.000 1.342 487 I HN 0.405 nan 8.210 nan 0.000 0.457 488 R N 5.514 125.729 120.500 -0.475 0.000 2.744 488 R HA 0.688 5.025 4.340 -0.005 0.000 0.279 488 R C -1.447 174.842 176.300 -0.018 0.000 0.977 488 R CA -0.871 55.037 56.100 -0.320 0.000 0.906 488 R CB 2.666 32.743 30.300 -0.371 0.000 1.197 488 R HN 0.557 nan 8.270 nan 0.000 0.463 489 F N 0.171 119.996 119.950 -0.208 0.000 2.588 489 F HA 0.646 5.170 4.527 -0.005 0.000 0.314 489 F C -1.793 173.775 175.800 -0.387 0.000 1.069 489 F CA -0.994 56.914 58.000 -0.154 0.000 0.931 489 F CB 1.301 40.346 39.000 0.075 0.000 1.260 489 F HN 0.346 nan 8.300 nan 0.000 0.465 490 Y N 1.814 122.038 120.300 -0.127 0.000 2.442 490 Y HA 0.713 5.261 4.550 -0.004 0.000 0.344 490 Y C -0.369 175.484 175.900 -0.078 0.000 0.976 490 Y CA -1.329 56.657 58.100 -0.190 0.000 1.040 490 Y CB 2.378 40.740 38.460 -0.165 0.000 1.228 490 Y HN 0.968 nan 8.280 nan 0.000 0.451 491 A N 2.429 125.279 122.820 0.050 0.000 2.394 491 A HA 0.599 4.916 4.320 -0.005 0.000 0.333 491 A C -0.020 177.492 177.584 -0.120 0.000 1.397 491 A CA -0.344 51.635 52.037 -0.097 0.000 0.884 491 A CB 0.547 19.354 19.000 -0.322 0.000 1.147 491 A HN 0.718 nan 8.150 nan 0.000 0.505 492 T N 1.286 115.753 114.554 -0.144 0.000 2.797 492 T HA 0.803 5.150 4.350 -0.005 0.000 0.267 492 T C 0.875 175.469 174.700 -0.177 0.000 0.986 492 T CA 1.074 63.090 62.100 -0.140 0.000 0.999 492 T CB 0.670 69.460 68.868 -0.130 0.000 1.508 492 T HN 2.436 nan 8.240 nan 0.000 0.595 493 G N -0.154 108.531 108.800 -0.192 0.000 2.584 493 G HA2 -0.166 3.791 3.960 -0.005 0.000 0.229 493 G HA3 -0.166 3.791 3.960 -0.005 0.000 0.229 493 G C -1.043 173.683 174.900 -0.289 0.000 1.320 493 G CA 0.018 44.979 45.100 -0.232 0.000 0.891 493 G HN 0.811 nan 8.290 nan 0.000 0.573 494 Y N 0.610 120.768 120.300 -0.236 0.000 2.307 494 Y HA 0.554 5.101 4.550 -0.005 0.000 0.324 494 Y C 1.566 177.300 175.900 -0.276 0.000 1.238 494 Y CA -0.023 57.927 58.100 -0.250 0.000 1.280 494 Y CB 0.860 39.112 38.460 -0.347 0.000 1.248 494 Y HN 0.676 nan 8.280 nan 0.000 0.508 495 I N -0.973 119.617 120.570 0.032 0.000 2.764 495 I HA 0.434 4.601 4.170 -0.005 0.000 0.294 495 I C -0.099 175.991 176.117 -0.046 0.000 1.045 495 I CA -0.572 60.733 61.300 0.008 0.000 1.340 495 I CB 0.970 39.009 38.000 0.064 0.000 1.436 495 I HN 0.339 nan 8.210 nan 0.000 0.567 496 S N 2.590 118.273 115.700 -0.028 0.000 2.565 496 S HA 0.444 4.911 4.470 -0.005 0.000 0.274 496 S C 0.016 174.685 174.600 0.115 0.000 1.309 496 S CA -0.597 57.617 58.200 0.023 0.000 1.043 496 S CB 0.828 63.982 63.200 -0.077 0.000 0.939 496 S HN 0.852 nan 8.310 nan 0.000 0.504 497 S N 1.168 116.982 115.700 0.190 0.000 2.667 497 S HA 0.937 5.404 4.470 -0.005 0.000 0.292 497 S C -0.694 174.038 174.600 0.221 0.000 1.126 497 S CA -0.912 57.390 58.200 0.170 0.000 0.881 497 S CB 1.784 65.066 63.200 0.137 0.000 1.132 497 S HN 0.917 nan 8.310 nan 0.000 0.492 498 A N 0.590 123.451 122.820 0.070 0.000 2.485 498 A HA 0.776 5.093 4.320 -0.005 0.000 0.292 498 A C -0.972 176.569 177.584 -0.071 0.000 1.147 498 A CA -0.830 51.113 52.037 -0.157 0.000 0.750 498 A CB 0.767 19.648 19.000 -0.199 0.000 1.331 498 A HN 1.123 nan 8.150 nan 0.000 0.419 499 F N 1.009 120.775 119.950 -0.306 0.000 2.543 499 F HA 0.412 4.936 4.527 -0.005 0.000 0.375 499 F C 0.015 175.872 175.800 0.095 0.000 1.075 499 F CA -0.475 57.504 58.000 -0.036 0.000 1.225 499 F CB 0.364 39.336 39.000 -0.048 0.000 1.099 499 F HN 0.444 nan 8.300 nan 0.000 0.561 500 L N 9.406 130.227 121.223 -0.670 0.000 2.360 500 L HA 0.379 4.716 4.340 -0.005 0.000 0.276 500 L C -0.992 175.424 176.870 -0.758 0.000 1.121 500 L CA 0.022 54.536 54.840 -0.543 0.000 0.845 500 L CB -0.165 41.711 42.059 -0.307 0.000 1.143 500 L HN 0.568 nan 8.230 nan 0.000 0.452 501 F N 3.684 123.365 119.950 -0.448 0.000 2.641 501 F HA 0.868 5.392 4.527 -0.005 0.000 0.308 501 F C 0.190 175.940 175.800 -0.084 0.000 1.105 501 F CA -0.172 57.686 58.000 -0.237 0.000 0.964 501 F CB 0.660 39.618 39.000 -0.071 0.000 1.294 501 F HN 0.923 nan 8.300 nan 0.000 0.442 502 G N 0.933 109.692 108.800 -0.069 0.000 2.598 502 G HA2 0.288 4.245 3.960 -0.005 0.000 0.244 502 G HA3 0.288 4.245 3.960 -0.005 0.000 0.244 502 G C -0.382 174.423 174.900 -0.158 0.000 1.302 502 G CA -0.149 44.881 45.100 -0.118 0.000 0.903 502 G HN 2.080 nan 8.290 nan 0.000 0.575 503 A N 0.250 122.999 122.820 -0.118 0.000 2.410 503 A HA 0.622 4.939 4.320 -0.005 0.000 0.292 503 A C 0.846 178.378 177.584 -0.087 0.000 1.232 503 A CA 1.169 53.163 52.037 -0.071 0.000 0.893 503 A CB -0.348 18.635 19.000 -0.028 0.000 1.131 503 A HN 1.463 nan 8.150 nan 0.000 0.530 504 T N 1.647 116.149 114.554 -0.087 0.000 2.869 504 T HA 0.555 4.902 4.350 -0.005 0.000 0.295 504 T C 1.349 176.001 174.700 -0.079 0.000 0.987 504 T CA 0.689 62.741 62.100 -0.081 0.000 1.109 504 T CB 1.332 70.154 68.868 -0.076 0.000 0.932 504 T HN 1.452 nan 8.240 nan 0.000 0.518 505 G N 2.050 110.791 108.800 -0.099 0.000 3.465 505 G HA2 -0.106 3.851 3.960 -0.005 0.000 0.219 505 G HA3 -0.106 3.851 3.960 -0.005 0.000 0.219 505 G C 0.681 175.457 174.900 -0.207 0.000 0.984 505 G CA -0.466 44.559 45.100 -0.124 0.000 0.864 505 G HN 0.603 nan 8.290 nan 0.000 0.485 506 K N -0.400 119.780 120.400 -0.367 0.000 2.358 506 K HA 0.399 4.716 4.320 -0.005 0.000 0.197 506 K C 0.346 176.435 176.600 -0.853 0.000 1.025 506 K CA 0.241 56.119 56.287 -0.681 0.000 1.104 506 K CB 0.504 32.424 32.500 -0.968 0.000 0.855 506 K HN 0.407 nan 8.250 nan 0.000 0.531 507 Y N -0.043 120.217 120.300 -0.067 0.000 2.767 507 Y HA 0.323 4.870 4.550 -0.005 0.000 0.254 507 Y C 0.586 176.456 175.900 -0.051 0.000 1.133 507 Y CA -0.489 57.575 58.100 -0.061 0.000 1.225 507 Y CB 1.602 40.015 38.460 -0.078 0.000 1.312 507 Y HN 0.103 nan 8.280 nan 0.000 0.560 508 G N 0.456 109.272 108.800 0.025 0.000 2.371 508 G HA2 -0.092 3.865 3.960 -0.005 0.000 0.663 508 G HA3 -0.092 3.865 3.960 -0.005 0.000 0.663 508 G C -1.548 173.352 174.900 -0.001 0.000 1.311 508 G CA -1.195 43.914 45.100 0.015 0.000 0.985 508 G HN -0.009 nan 8.290 nan 0.000 0.566 509 N N 0.082 118.786 118.700 0.008 0.000 2.384 509 N HA 0.412 5.149 4.740 -0.005 0.000 0.301 509 N C -0.030 175.479 175.510 -0.001 0.000 1.133 509 N CA -0.585 52.467 53.050 0.004 0.000 0.853 509 N CB 1.982 40.486 38.487 0.028 0.000 1.241 509 N HN 0.835 nan 8.380 nan 0.000 0.502 510 Q N 0.918 120.709 119.800 -0.015 0.000 2.274 510 Q HA 0.104 4.441 4.340 -0.005 0.000 0.280 510 Q C 0.620 176.619 176.000 -0.002 0.000 1.047 510 Q CA -0.044 55.748 55.803 -0.020 0.000 0.907 510 Q CB 0.535 29.253 28.738 -0.034 0.000 1.171 510 Q HN 0.580 nan 8.270 nan 0.000 0.381 511 V N 0.010 119.922 119.914 -0.002 0.000 3.612 511 V HA 0.330 4.447 4.120 -0.005 0.000 0.268 511 V C 0.155 176.247 176.094 -0.003 0.000 1.365 511 V CA 0.556 62.858 62.300 0.003 0.000 1.044 511 V CB -0.001 31.821 31.823 -0.002 0.000 0.820 511 V HN 0.706 nan 8.190 nan 0.000 0.444 512 S N -1.454 114.241 115.700 -0.008 0.000 2.683 512 S HA 0.379 4.846 4.470 -0.005 0.000 0.269 512 S C -1.124 173.475 174.600 -0.001 0.000 1.165 512 S CA -0.754 57.444 58.200 -0.002 0.000 0.840 512 S CB 1.062 64.246 63.200 -0.026 0.000 1.169 512 S HN 0.164 nan 8.310 nan 0.000 0.490 513 E N 1.166 121.380 120.200 0.023 0.000 2.729 513 E HA 0.011 4.358 4.350 -0.005 0.000 0.246 513 E C 0.085 176.703 176.600 0.030 0.000 0.984 513 E CA 1.228 57.607 56.400 -0.036 0.000 0.951 513 E CB -0.584 29.178 29.700 0.103 0.000 0.914 513 E HN 0.875 nan 8.360 nan 0.000 0.509 514 H N -0.897 118.228 119.070 0.091 0.000 3.179 514 H HA -0.198 4.355 4.556 -0.005 0.000 0.250 514 H C 0.344 175.659 175.328 -0.021 0.000 1.142 514 H CA 1.360 57.436 56.048 0.047 0.000 1.165 514 H CB -1.216 28.702 29.762 0.261 0.000 1.253 514 H HN 0.441 nan 8.280 nan 0.000 0.325 515 T N -0.365 114.225 114.554 0.061 0.000 2.824 515 T HA 0.535 4.882 4.350 -0.005 0.000 0.282 515 T C -0.605 174.087 174.700 -0.013 0.000 0.993 515 T CA -1.080 61.041 62.100 0.035 0.000 0.967 515 T CB 1.725 70.630 68.868 0.061 0.000 0.960 515 T HN 0.283 nan 8.240 nan 0.000 0.441 516 L N 4.839 126.048 121.223 -0.023 0.000 2.272 516 L HA 0.805 5.142 4.340 -0.005 0.000 0.289 516 L C 0.468 177.348 176.870 0.016 0.000 1.032 516 L CA -0.056 54.769 54.840 -0.024 0.000 0.810 516 L CB 0.955 42.979 42.059 -0.059 0.000 1.205 516 L HN 0.867 nan 8.230 nan 0.000 0.422 517 G N 3.132 111.944 108.800 0.021 0.000 2.365 517 G HA2 0.383 4.340 3.960 -0.005 0.000 0.293 517 G HA3 0.383 4.340 3.960 -0.005 0.000 0.293 517 G C 0.029 174.964 174.900 0.057 0.000 1.128 517 G CA 0.062 45.185 45.100 0.038 0.000 0.971 517 G HN 0.786 nan 8.290 nan 0.000 0.422 518 T N 0.183 114.809 114.554 0.118 0.000 2.851 518 T HA 0.317 4.664 4.350 -0.005 0.000 0.298 518 T C 0.602 175.415 174.700 0.189 0.000 0.977 518 T CA -0.734 61.468 62.100 0.170 0.000 1.126 518 T CB 1.784 70.797 68.868 0.242 0.000 0.916 518 T HN 0.465 nan 8.240 nan 0.000 0.529 519 V N 5.924 125.893 119.914 0.091 0.000 2.788 519 V HA 0.308 4.426 4.120 -0.005 0.000 0.307 519 V C 0.082 176.126 176.094 -0.084 0.000 1.069 519 V CA 0.469 62.743 62.300 -0.043 0.000 1.173 519 V CB -0.528 31.280 31.823 -0.026 0.000 0.925 519 V HN 1.216 nan 8.190 nan 0.000 0.492 520 H N 2.517 121.377 119.070 -0.349 0.000 2.967 520 H HA 0.478 5.031 4.556 -0.005 0.000 0.318 520 H C -0.976 174.093 175.328 -0.432 0.000 1.375 520 H CA -0.306 55.395 56.048 -0.578 0.000 1.132 520 H CB 1.402 30.352 29.762 -1.354 0.000 1.848 520 H HN 0.637 nan 8.280 nan 0.000 0.524 521 T N -0.732 113.611 114.554 -0.352 0.000 2.888 521 T HA 0.384 4.731 4.350 -0.005 0.000 0.284 521 T C -0.585 173.884 174.700 -0.384 0.000 1.017 521 T CA -0.807 61.105 62.100 -0.313 0.000 1.022 521 T CB 1.758 70.528 68.868 -0.163 0.000 1.013 521 T HN 0.613 nan 8.240 nan 0.000 0.465 522 H N 1.213 120.111 119.070 -0.288 0.000 2.457 522 H HA 0.679 5.232 4.556 -0.005 0.000 0.335 522 H C -0.403 174.929 175.328 0.006 0.000 1.115 522 H CA -0.617 55.334 56.048 -0.161 0.000 1.219 522 H CB 1.868 31.387 29.762 -0.404 0.000 1.471 522 H HN 0.705 nan 8.280 nan 0.000 0.491 523 S N 0.929 116.822 115.700 0.321 0.000 2.564 523 S HA 0.761 5.228 4.470 -0.005 0.000 0.274 523 S C -0.821 174.020 174.600 0.402 0.000 1.124 523 S CA -0.780 57.678 58.200 0.430 0.000 0.869 523 S CB 2.532 65.947 63.200 0.358 0.000 1.105 523 S HN 0.834 nan 8.310 nan 0.000 0.472 524 A N 1.444 124.446 122.820 0.302 0.000 2.539 524 A HA 0.779 5.096 4.320 -0.005 0.000 0.296 524 A C -1.549 175.839 177.584 -0.326 0.000 1.073 524 A CA -0.541 51.343 52.037 -0.255 0.000 0.700 524 A CB 1.382 19.895 19.000 -0.811 0.000 1.296 524 A HN 0.884 nan 8.150 nan 0.000 0.405 525 H N 0.933 119.372 119.070 -1.052 0.000 2.547 525 H HA 0.641 5.194 4.556 -0.005 0.000 0.342 525 H C -1.807 173.027 175.328 -0.823 0.000 1.048 525 H CA -0.396 55.096 56.048 -0.927 0.000 1.204 525 H CB 0.946 29.694 29.762 -1.691 0.000 1.493 525 H HN 0.499 nan 8.280 nan 0.000 0.511 526 F N 2.756 122.416 119.950 -0.483 0.000 2.508 526 F HA 0.296 4.820 4.527 -0.005 0.000 0.325 526 F C 0.250 175.776 175.800 -0.457 0.000 1.090 526 F CA -0.873 56.916 58.000 -0.353 0.000 0.945 526 F CB 1.691 40.656 39.000 -0.059 0.000 1.156 526 F HN 0.301 nan 8.300 nan 0.000 0.463 527 K N 2.352 122.616 120.400 -0.227 0.000 2.234 527 K HA 0.616 4.933 4.320 -0.005 0.000 0.277 527 K C -1.588 174.795 176.600 -0.362 0.000 1.038 527 K CA -0.345 55.634 56.287 -0.513 0.000 0.888 527 K CB 0.957 33.157 32.500 -0.499 0.000 1.091 527 K HN 0.548 nan 8.250 nan 0.000 0.467 528 V N 4.492 124.149 119.914 -0.429 0.000 2.289 528 V HA 0.074 4.191 4.120 -0.005 0.000 0.272 528 V C -0.649 175.290 176.094 -0.258 0.000 1.026 528 V CA -0.831 61.313 62.300 -0.260 0.000 0.807 528 V CB 0.922 32.610 31.823 -0.224 0.000 1.044 528 V HN 0.760 nan 8.190 nan 0.000 0.443 529 D N 4.762 125.048 120.400 -0.189 0.000 2.564 529 D HA 0.275 4.912 4.640 -0.005 0.000 0.226 529 D C 0.108 176.395 176.300 -0.022 0.000 1.149 529 D CA -0.119 53.821 54.000 -0.100 0.000 0.994 529 D CB 0.251 41.044 40.800 -0.012 0.000 1.029 529 D HN 0.410 nan 8.370 nan 0.000 0.517 530 L N 2.057 123.257 121.223 -0.038 0.000 2.453 530 L HA 0.172 4.509 4.340 -0.005 0.000 0.272 530 L C 0.168 177.063 176.870 0.041 0.000 1.182 530 L CA 0.206 55.041 54.840 -0.009 0.000 0.858 530 L CB 0.647 42.707 42.059 0.001 0.000 1.120 530 L HN 0.178 nan 8.230 nan 0.000 0.474 531 D N 2.645 123.086 120.400 0.067 0.000 2.456 531 D HA 0.187 4.824 4.640 -0.005 0.000 0.287 531 D C -0.529 175.860 176.300 0.149 0.000 1.186 531 D CA -0.213 53.851 54.000 0.107 0.000 0.916 531 D CB 1.185 42.058 40.800 0.123 0.000 1.029 531 D HN 0.011 nan 8.370 nan 0.000 0.498 532 V N 1.394 121.424 119.914 0.194 0.000 2.421 532 V HA 0.259 4.376 4.120 -0.005 0.000 0.271 532 V C 1.279 177.579 176.094 0.343 0.000 1.031 532 V CA -0.348 62.139 62.300 0.312 0.000 1.032 532 V CB 0.105 32.166 31.823 0.396 0.000 1.009 532 V HN 0.710 nan 8.190 nan 0.000 0.477 533 A N 3.853 126.889 122.820 0.360 0.000 2.665 533 A HA 0.113 4.430 4.320 -0.005 0.000 0.301 533 A C 1.094 178.776 177.584 0.163 0.000 1.509 533 A CA 1.189 53.350 52.037 0.207 0.000 0.789 533 A CB -1.433 17.629 19.000 0.103 0.000 1.024 533 A HN 2.644 nan 8.150 nan 0.000 0.460 534 G N -3.017 105.883 108.800 0.167 0.000 2.347 534 G HA2 0.278 4.235 3.960 -0.005 0.000 0.477 534 G HA3 0.278 4.235 3.960 -0.005 0.000 0.477 534 G C 0.246 175.227 174.900 0.134 0.000 1.349 534 G CA -0.341 44.843 45.100 0.140 0.000 1.000 534 G HN 0.892 nan 8.290 nan 0.000 0.605 535 L N -0.200 121.080 121.223 0.096 0.000 2.046 535 L HA 0.067 4.404 4.340 -0.005 0.000 0.208 535 L C 1.423 178.320 176.870 0.045 0.000 1.077 535 L CA 1.223 56.095 54.840 0.053 0.000 0.747 535 L CB -0.299 41.770 42.059 0.016 0.000 0.896 535 L HN 0.560 nan 8.230 nan 0.000 0.432 536 E N 1.195 121.435 120.200 0.066 0.000 2.217 536 E HA 0.170 4.518 4.350 -0.005 0.000 0.279 536 E C -0.788 175.852 176.600 0.066 0.000 1.068 536 E CA 0.219 56.611 56.400 -0.012 0.000 0.882 536 E CB 0.349 30.056 29.700 0.012 0.000 1.039 536 E HN 0.244 nan 8.360 nan 0.000 0.418 537 N N 2.121 120.755 118.700 -0.111 0.000 2.321 537 N HA 0.448 5.185 4.740 -0.005 0.000 0.290 537 N C -0.989 174.457 175.510 -0.107 0.000 1.212 537 N CA -0.889 52.229 53.050 0.114 0.000 0.767 537 N CB 1.665 40.234 38.487 0.137 0.000 1.494 537 N HN 0.279 nan 8.380 nan 0.000 0.479 538 W N 0.430 121.758 121.300 0.048 0.000 2.894 538 W HA 0.625 5.281 4.660 -0.005 0.000 0.345 538 W C -0.913 175.524 176.519 -0.135 0.000 1.152 538 W CA -0.656 56.632 57.345 -0.095 0.000 1.089 538 W CB 1.463 30.805 29.460 -0.196 0.000 1.454 538 W HN 0.048 nan 8.180 nan 0.000 0.589 539 V N 0.783 120.656 119.914 -0.069 0.000 2.444 539 V HA 0.297 4.414 4.120 -0.005 0.000 0.294 539 V C -1.217 174.658 176.094 -0.365 0.000 1.022 539 V CA -0.552 61.674 62.300 -0.123 0.000 0.850 539 V CB 1.218 33.020 31.823 -0.034 0.000 0.992 539 V HN 0.408 nan 8.190 nan 0.000 0.426 540 W N 2.674 123.788 121.300 -0.310 0.000 2.551 540 W HA 0.767 5.424 4.660 -0.005 0.000 0.330 540 W C 0.039 176.393 176.519 -0.274 0.000 1.063 540 W CA -0.627 56.472 57.345 -0.410 0.000 1.222 540 W CB 1.931 30.859 29.460 -0.888 0.000 1.349 540 W HN 0.603 nan 8.180 nan 0.000 0.536 541 A N 2.711 125.654 122.820 0.204 0.000 2.293 541 A HA 0.578 4.895 4.320 -0.005 0.000 0.312 541 A C -0.790 176.930 177.584 0.226 0.000 1.309 541 A CA -0.623 51.527 52.037 0.189 0.000 0.839 541 A CB 0.471 19.575 19.000 0.174 0.000 1.155 541 A HN 0.670 nan 8.150 nan 0.000 0.501 542 E N 1.616 121.960 120.200 0.240 0.000 2.195 542 E HA 0.519 4.866 4.350 -0.005 0.000 0.271 542 E C -1.131 175.549 176.600 0.134 0.000 0.923 542 E CA -0.636 55.867 56.400 0.173 0.000 0.790 542 E CB 2.080 31.861 29.700 0.135 0.000 1.155 542 E HN 0.721 nan 8.360 nan 0.000 0.402 543 D N 0.992 121.434 120.400 0.070 0.000 2.921 543 D HA 0.375 5.012 4.640 -0.005 0.000 0.329 543 D C -1.200 175.096 176.300 -0.007 0.000 1.293 543 D CA -0.458 53.577 54.000 0.057 0.000 0.964 543 D CB 1.660 42.497 40.800 0.062 0.000 1.435 543 D HN 0.431 nan 8.370 nan 0.000 0.548 544 M N -0.131 119.454 119.600 -0.025 0.000 2.716 544 M HA 0.795 5.272 4.480 -0.005 0.000 0.307 544 M C -1.358 174.874 176.300 -0.113 0.000 1.223 544 M CA -0.821 54.415 55.300 -0.107 0.000 0.871 544 M CB 2.591 35.102 32.600 -0.149 0.000 1.739 544 M HN 0.113 nan 8.290 nan 0.000 0.475 545 V N 1.039 120.825 119.914 -0.215 0.000 3.204 545 V HA 0.613 4.730 4.120 -0.005 0.000 0.298 545 V C -2.168 173.743 176.094 -0.306 0.000 1.328 545 V CA -0.588 61.620 62.300 -0.154 0.000 1.035 545 V CB 2.933 34.736 31.823 -0.035 0.000 1.095 545 V HN 0.867 nan 8.190 nan 0.000 0.442 546 F N 3.620 123.582 119.950 0.021 0.000 2.444 546 F HA 0.701 5.225 4.527 -0.005 0.000 0.342 546 F C -0.047 175.762 175.800 0.015 0.000 1.121 546 F CA -0.727 57.283 58.000 0.017 0.000 0.997 546 F CB 2.111 41.120 39.000 0.016 0.000 1.130 546 F HN 0.216 nan 8.300 nan 0.000 0.454 547 V N 5.335 125.360 119.914 0.185 0.000 2.350 547 V HA 0.327 4.445 4.120 -0.005 0.000 0.285 547 V C -2.221 173.932 176.094 0.100 0.000 1.014 547 V CA -2.104 60.262 62.300 0.110 0.000 0.831 547 V CB 1.292 33.152 31.823 0.063 0.000 1.000 547 V HN 0.465 nan 8.190 nan 0.000 0.433 548 P HA 0.232 nan 4.420 nan 0.000 0.266 548 P C -0.668 176.647 177.300 0.025 0.000 1.215 548 P CA 0.175 63.301 63.100 0.042 0.000 0.763 548 P CB 0.613 32.328 31.700 0.025 0.000 0.806 549 M N 1.145 120.752 119.600 0.011 0.000 2.683 549 M HA 0.773 5.250 4.480 -0.005 0.000 0.274 549 M C -1.085 175.194 176.300 -0.035 0.000 1.272 549 M CA -1.408 53.888 55.300 -0.007 0.000 0.833 549 M CB 1.939 34.540 32.600 0.001 0.000 1.708 549 M HN 0.128 nan 8.290 nan 0.000 0.463 550 A N 1.293 124.084 122.820 -0.049 0.000 2.425 550 A HA 0.538 4.855 4.320 -0.005 0.000 0.249 550 A C -0.023 177.473 177.584 -0.146 0.000 1.084 550 A CA -0.573 51.414 52.037 -0.083 0.000 0.781 550 A CB 0.136 19.094 19.000 -0.070 0.000 1.019 550 A HN 0.665 nan 8.150 nan 0.000 0.490 551 V N 5.758 125.528 119.914 -0.241 0.000 2.425 551 V HA 0.033 4.150 4.120 -0.005 0.000 0.276 551 V C -1.333 174.448 176.094 -0.522 0.000 1.017 551 V CA -0.396 61.591 62.300 -0.522 0.000 1.062 551 V CB 0.529 31.932 31.823 -0.701 0.000 0.997 551 V HN 0.827 nan 8.190 nan 0.000 0.476 552 P HA -0.171 nan 4.420 nan 0.000 0.216 552 P C 1.293 178.593 177.300 -0.001 0.000 1.157 552 P CA 1.855 64.913 63.100 -0.071 0.000 0.880 552 P CB 0.005 31.791 31.700 0.142 0.000 0.791 553 W N -2.164 119.149 121.300 0.022 0.000 3.180 553 W HA 0.413 5.070 4.660 -0.005 0.000 0.254 553 W C 0.170 176.709 176.519 0.033 0.000 1.318 553 W CA 0.165 57.522 57.345 0.020 0.000 1.608 553 W CB -0.435 29.031 29.460 0.009 0.000 1.124 553 W HN -0.144 nan 8.180 nan 0.000 0.694 554 S N 0.728 116.241 115.700 -0.312 0.000 2.680 554 S HA 0.243 4.710 4.470 -0.005 0.000 0.140 554 S C -1.990 172.544 174.600 -0.110 0.000 1.357 554 S CA -0.790 57.326 58.200 -0.141 0.000 1.201 554 S CB 0.231 63.346 63.200 -0.142 0.000 1.547 554 S HN -0.219 nan 8.310 nan 0.000 0.411 555 P HA -0.104 nan 4.420 nan 0.000 0.221 555 P C 1.274 178.526 177.300 -0.081 0.000 1.145 555 P CA 0.746 63.798 63.100 -0.080 0.000 0.795 555 P CB 0.087 31.758 31.700 -0.049 0.000 0.775 556 E N -0.790 119.354 120.200 -0.093 0.000 2.502 556 E HA -0.094 4.253 4.350 -0.005 0.000 0.194 556 E C -0.319 176.082 176.600 -0.332 0.000 1.062 556 E CA 0.401 56.687 56.400 -0.190 0.000 0.867 556 E CB -0.684 28.889 29.700 -0.211 0.000 0.888 556 E HN 0.367 nan 8.360 nan 0.000 0.510 557 H N 0.393 119.398 119.070 -0.109 0.000 2.529 557 H HA 0.329 4.882 4.556 -0.005 0.000 0.348 557 H C -0.233 175.020 175.328 -0.125 0.000 1.152 557 H CA -0.709 55.273 56.048 -0.111 0.000 1.202 557 H CB 1.340 31.022 29.762 -0.133 0.000 1.562 557 H HN -0.077 nan 8.280 nan 0.000 0.515 558 Q N 2.122 121.939 119.800 0.029 0.000 2.230 558 Q HA 0.355 4.692 4.340 -0.005 0.000 0.253 558 Q C -0.923 175.065 176.000 -0.019 0.000 0.919 558 Q CA -0.964 54.831 55.803 -0.015 0.000 0.908 558 Q CB 2.259 30.988 28.738 -0.015 0.000 1.245 558 Q HN 0.460 nan 8.270 nan 0.000 0.437 559 L N -0.675 120.527 121.223 -0.035 0.000 2.333 559 L HA 0.524 4.861 4.340 -0.005 0.000 0.263 559 L C -0.562 176.318 176.870 0.017 0.000 1.014 559 L CA -0.946 53.885 54.840 -0.015 0.000 0.820 559 L CB 1.263 43.307 42.059 -0.024 0.000 1.352 559 L HN 0.194 nan 8.230 nan 0.000 0.421 560 Q N 1.568 121.390 119.800 0.037 0.000 2.390 560 Q HA 0.369 4.706 4.340 -0.005 0.000 0.249 560 Q C -0.702 175.444 176.000 0.243 0.000 0.996 560 Q CA -0.322 55.542 55.803 0.103 0.000 0.899 560 Q CB 1.386 30.101 28.738 -0.039 0.000 1.216 560 Q HN 0.561 nan 8.270 nan 0.000 0.465 561 R N 2.483 123.106 120.500 0.206 0.000 2.242 561 R HA 0.188 4.525 4.340 -0.005 0.000 0.334 561 R C -0.730 175.657 176.300 0.144 0.000 1.071 561 R CA -0.459 55.736 56.100 0.158 0.000 0.922 561 R CB -0.121 30.228 30.300 0.083 0.000 1.023 561 R HN 0.440 nan 8.270 nan 0.000 0.458 562 L N 3.746 125.019 121.223 0.083 0.000 2.367 562 L HA 0.268 4.605 4.340 -0.005 0.000 0.275 562 L C -0.709 176.059 176.870 -0.170 0.000 1.129 562 L CA 0.881 55.576 54.840 -0.242 0.000 0.839 562 L CB 0.769 42.687 42.059 -0.237 0.000 1.133 562 L HN 0.711 nan 8.230 nan 0.000 0.453 563 Q N 2.903 122.570 119.800 -0.223 0.000 2.421 563 Q HA 0.550 4.887 4.340 -0.005 0.000 0.280 563 Q C -1.459 174.461 176.000 -0.134 0.000 1.085 563 Q CA -1.031 54.696 55.803 -0.126 0.000 0.807 563 Q CB 2.645 31.341 28.738 -0.070 0.000 1.405 563 Q HN 0.478 nan 8.270 nan 0.000 0.419 564 V N 1.741 121.599 119.914 -0.093 0.000 2.465 564 V HA 0.339 4.457 4.120 -0.005 0.000 0.279 564 V C 0.226 176.300 176.094 -0.034 0.000 1.045 564 V CA -0.323 61.930 62.300 -0.079 0.000 0.938 564 V CB 1.167 32.939 31.823 -0.085 0.000 0.986 564 V HN 0.907 nan 8.190 nan 0.000 0.467 565 T N 3.214 117.761 114.554 -0.012 0.000 2.902 565 T HA 0.725 5.072 4.350 -0.005 0.000 0.283 565 T C -0.449 174.292 174.700 0.067 0.000 1.009 565 T CA -0.867 61.251 62.100 0.030 0.000 1.051 565 T CB 1.694 70.586 68.868 0.040 0.000 0.999 565 T HN 0.696 nan 8.240 nan 0.000 0.474 566 R N 1.216 121.780 120.500 0.105 0.000 2.533 566 R HA 0.533 4.870 4.340 -0.005 0.000 0.288 566 R C -1.537 174.906 176.300 0.238 0.000 1.039 566 R CA -0.729 55.479 56.100 0.180 0.000 0.909 566 R CB 1.402 31.787 30.300 0.142 0.000 1.195 566 R HN 0.786 nan 8.270 nan 0.000 0.438 567 K N 4.843 125.418 120.400 0.293 0.000 2.507 567 K HA 0.257 4.574 4.320 -0.005 0.000 0.251 567 K C -1.506 175.216 176.600 0.202 0.000 0.943 567 K CA -0.878 55.542 56.287 0.222 0.000 0.794 567 K CB 1.540 34.127 32.500 0.145 0.000 1.188 567 K HN 0.446 nan 8.250 nan 0.000 0.428 568 L N 5.804 127.035 121.223 0.015 0.000 2.313 568 L HA 0.290 4.627 4.340 -0.005 0.000 0.282 568 L C -1.021 175.736 176.870 -0.187 0.000 1.092 568 L CA 0.095 54.693 54.840 -0.403 0.000 0.831 568 L CB 0.395 42.091 42.059 -0.604 0.000 1.159 568 L HN 0.541 nan 8.230 nan 0.000 0.442 569 L N 6.429 127.546 121.223 -0.176 0.000 2.295 569 L HA 0.276 4.614 4.340 -0.005 0.000 0.288 569 L C 0.944 177.757 176.870 -0.095 0.000 1.079 569 L CA -0.059 54.735 54.840 -0.076 0.000 0.830 569 L CB 0.504 42.558 42.059 -0.008 0.000 1.200 569 L HN 0.750 nan 8.230 nan 0.000 0.438 570 E N 2.627 122.785 120.200 -0.071 0.000 2.127 570 E HA 0.117 4.464 4.350 -0.005 0.000 0.191 570 E C 0.190 176.752 176.600 -0.064 0.000 0.964 570 E CA 0.557 56.920 56.400 -0.062 0.000 0.832 570 E CB 0.358 30.035 29.700 -0.038 0.000 0.790 570 E HN 0.510 nan 8.360 nan 0.000 0.465 571 M N 0.582 120.147 119.600 -0.057 0.000 2.537 571 M HA 0.215 4.692 4.480 -0.005 0.000 0.324 571 M C 0.865 177.125 176.300 -0.067 0.000 1.187 571 M CA -0.023 55.242 55.300 -0.059 0.000 0.993 571 M CB 1.165 33.735 32.600 -0.049 0.000 1.666 571 M HN -0.063 nan 8.290 nan 0.000 0.461 572 E N 0.874 121.034 120.200 -0.066 0.000 2.097 572 E HA -0.250 4.097 4.350 -0.005 0.000 0.196 572 E C 1.217 177.757 176.600 -0.100 0.000 1.000 572 E CA 1.852 58.210 56.400 -0.070 0.000 0.804 572 E CB 0.161 29.822 29.700 -0.065 0.000 0.740 572 E HN 0.629 nan 8.360 nan 0.000 0.454 573 E N 0.589 120.732 120.200 -0.095 0.000 2.160 573 E HA -0.203 4.145 4.350 -0.005 0.000 0.195 573 E C 1.854 178.358 176.600 -0.160 0.000 0.991 573 E CA 1.025 57.362 56.400 -0.105 0.000 0.810 573 E CB -0.019 29.640 29.700 -0.068 0.000 0.742 573 E HN 0.280 nan 8.360 nan 0.000 0.466 574 Q N -1.092 118.621 119.800 -0.145 0.000 2.297 574 Q HA 0.059 4.397 4.340 -0.005 0.000 0.204 574 Q C 1.160 176.973 176.000 -0.311 0.000 0.962 574 Q CA 1.050 56.753 55.803 -0.168 0.000 0.879 574 Q CB 0.231 28.924 28.738 -0.075 0.000 0.947 574 Q HN 0.228 nan 8.270 nan 0.000 0.462 575 A N -0.147 122.509 122.820 -0.274 0.000 2.465 575 A HA 0.508 4.825 4.320 -0.005 0.000 0.255 575 A C 0.289 177.670 177.584 -0.339 0.000 1.274 575 A CA -0.145 51.746 52.037 -0.243 0.000 0.920 575 A CB 0.448 19.456 19.000 0.013 0.000 1.033 575 A HN 0.172 nan 8.150 nan 0.000 0.516 576 A N 0.296 122.837 122.820 -0.464 0.000 2.260 576 A HA 0.690 5.008 4.320 -0.005 0.000 0.312 576 A C -0.954 176.464 177.584 -0.277 0.000 1.321 576 A CA -0.250 51.648 52.037 -0.232 0.000 0.928 576 A CB -0.327 18.596 19.000 -0.127 0.000 1.158 576 A HN 0.286 nan 8.150 nan 0.000 0.542 577 F N 2.987 123.111 119.950 0.290 0.000 2.402 577 F HA 0.398 4.922 4.527 -0.005 0.000 0.355 577 F C 0.282 176.246 175.800 0.273 0.000 1.123 577 F CA -0.471 57.672 58.000 0.238 0.000 1.021 577 F CB 1.376 40.474 39.000 0.162 0.000 1.160 577 F HN 0.385 nan 8.300 nan 0.000 0.451 578 L N 3.330 124.736 121.223 0.305 0.000 2.452 578 L HA 0.229 4.566 4.340 -0.005 0.000 0.267 578 L C 0.115 177.066 176.870 0.135 0.000 1.188 578 L CA -0.704 54.206 54.840 0.117 0.000 0.821 578 L CB 0.600 42.661 42.059 0.004 0.000 1.102 578 L HN 0.278 nan 8.230 nan 0.000 0.470 579 V N 2.292 122.247 119.914 0.068 0.000 2.617 579 V HA 0.130 4.247 4.120 -0.005 0.000 0.304 579 V C 1.145 177.278 176.094 0.065 0.000 1.040 579 V CA 1.543 63.890 62.300 0.080 0.000 1.149 579 V CB 0.463 32.317 31.823 0.053 0.000 0.914 579 V HN 1.114 nan 8.190 nan 0.000 0.487 580 G N 3.634 112.481 108.800 0.077 0.000 2.195 580 G HA2 -0.223 3.734 3.960 -0.005 0.000 0.246 580 G HA3 -0.223 3.734 3.960 -0.005 0.000 0.246 580 G C 0.297 175.239 174.900 0.070 0.000 0.984 580 G CA 0.301 45.440 45.100 0.065 0.000 0.633 580 G HN 1.320 nan 8.290 nan 0.000 0.525 581 S N -0.193 115.563 115.700 0.093 0.000 2.681 581 S HA 0.864 5.331 4.470 -0.005 0.000 0.299 581 S C 0.367 175.028 174.600 0.102 0.000 1.113 581 S CA 0.443 58.707 58.200 0.107 0.000 1.013 581 S CB 2.121 65.407 63.200 0.144 0.000 1.076 581 S HN 1.885 nan 8.310 nan 0.000 0.534 582 A N 1.751 124.628 122.820 0.094 0.000 2.401 582 A HA 0.586 4.903 4.320 -0.005 0.000 0.259 582 A C 0.696 178.290 177.584 0.016 0.000 1.103 582 A CA -0.146 51.923 52.037 0.053 0.000 0.789 582 A CB -0.446 18.587 19.000 0.055 0.000 1.035 582 A HN 1.246 nan 8.150 nan 0.000 0.491 583 T N 0.851 115.339 114.554 -0.111 0.000 2.888 583 T HA 0.727 5.075 4.350 -0.005 0.000 0.284 583 T C -2.743 171.809 174.700 -0.247 0.000 1.017 583 T CA -1.948 59.926 62.100 -0.377 0.000 1.022 583 T CB 1.301 69.824 68.868 -0.575 0.000 1.013 583 T HN 0.455 nan 8.240 nan 0.000 0.465 584 P HA 0.257 nan 4.420 nan 0.000 0.268 584 P C 0.638 177.902 177.300 -0.061 0.000 1.204 584 P CA -0.404 62.649 63.100 -0.079 0.000 0.768 584 P CB 0.784 32.479 31.700 -0.008 0.000 0.842 585 R N 1.271 121.778 120.500 0.011 0.000 2.127 585 R HA -0.105 4.232 4.340 -0.005 0.000 0.238 585 R C 0.131 176.396 176.300 -0.058 0.000 1.134 585 R CA 1.409 57.508 56.100 -0.002 0.000 0.975 585 R CB -0.278 30.068 30.300 0.077 0.000 0.865 585 R HN 0.522 nan 8.270 nan 0.000 0.447 586 Y N 0.086 120.349 120.300 -0.062 0.000 2.464 586 Y HA 0.331 4.878 4.550 -0.005 0.000 0.326 586 Y C -0.681 175.247 175.900 0.046 0.000 0.969 586 Y CA -0.770 57.288 58.100 -0.070 0.000 1.270 586 Y CB 1.294 39.652 38.460 -0.170 0.000 1.103 586 Y HN -0.082 nan 8.280 nan 0.000 0.491 587 L N 6.571 127.870 121.223 0.127 0.000 2.325 587 L HA 0.634 4.971 4.340 -0.005 0.000 0.281 587 L C -1.453 175.569 176.870 0.253 0.000 1.004 587 L CA -0.683 54.243 54.840 0.143 0.000 0.823 587 L CB 0.658 42.727 42.059 0.017 0.000 1.236 587 L HN 0.564 nan 8.230 nan 0.000 0.415 588 Y N 3.434 123.832 120.300 0.163 0.000 2.544 588 Y HA 0.670 5.217 4.550 -0.005 0.000 0.342 588 Y C -1.760 174.318 175.900 0.297 0.000 1.062 588 Y CA -1.546 56.678 58.100 0.207 0.000 1.023 588 Y CB 1.003 39.583 38.460 0.200 0.000 1.308 588 Y HN 0.270 nan 8.280 nan 0.000 0.457 589 L N 3.655 125.107 121.223 0.381 0.000 2.292 589 L HA 0.890 5.227 4.340 -0.005 0.000 0.284 589 L C -0.041 177.139 176.870 0.518 0.000 1.065 589 L CA -1.009 54.033 54.840 0.338 0.000 0.806 589 L CB 1.309 43.512 42.059 0.241 0.000 1.175 589 L HN 0.925 nan 8.230 nan 0.000 0.431 590 A N 2.330 125.482 122.820 0.553 0.000 2.401 590 A HA 0.626 4.943 4.320 -0.005 0.000 0.310 590 A C -0.246 177.691 177.584 0.588 0.000 1.075 590 A CA -0.452 51.973 52.037 0.647 0.000 0.746 590 A CB 1.951 21.446 19.000 0.826 0.000 1.277 590 A HN 0.639 nan 8.150 nan 0.000 0.425 591 S N -0.138 115.865 115.700 0.504 0.000 2.608 591 S HA 0.072 4.539 4.470 -0.005 0.000 0.261 591 S C 1.265 176.089 174.600 0.373 0.000 1.314 591 S CA 0.093 58.580 58.200 0.478 0.000 0.992 591 S CB 0.470 63.901 63.200 0.385 0.000 0.935 591 S HN 0.815 nan 8.310 nan 0.000 0.564 592 N N 0.761 119.647 118.700 0.310 0.000 2.216 592 N HA -0.029 4.708 4.740 -0.005 0.000 0.183 592 N C -0.062 175.357 175.510 -0.152 0.000 1.017 592 N CA 1.221 54.188 53.050 -0.138 0.000 0.861 592 N CB -0.447 38.025 38.487 -0.026 0.000 0.986 592 N HN 0.677 nan 8.380 nan 0.000 0.428 593 H N -0.920 118.176 119.070 0.044 0.000 2.615 593 H HA 0.344 4.897 4.556 -0.005 0.000 0.363 593 H C 0.037 175.354 175.328 -0.018 0.000 1.148 593 H CA -0.043 56.006 56.048 0.000 0.000 1.401 593 H CB 1.077 30.840 29.762 0.001 0.000 1.461 593 H HN -0.060 nan 8.280 nan 0.000 0.588 594 S N 1.233 116.967 115.700 0.057 0.000 2.690 594 S HA 0.183 4.650 4.470 -0.005 0.000 0.291 594 S C 0.175 174.744 174.600 -0.051 0.000 1.138 594 S CA -1.093 57.102 58.200 -0.008 0.000 1.013 594 S CB 0.699 63.865 63.200 -0.056 0.000 1.053 594 S HN 0.794 nan 8.310 nan 0.000 0.539 595 N N 1.054 119.713 118.700 -0.069 0.000 2.364 595 N HA 0.148 4.885 4.740 -0.005 0.000 0.264 595 N C 0.718 176.089 175.510 -0.231 0.000 1.263 595 N CA -0.526 52.440 53.050 -0.140 0.000 0.959 595 N CB 0.093 38.528 38.487 -0.088 0.000 1.204 595 N HN 0.592 nan 8.380 nan 0.000 0.550 596 K N -0.599 119.536 120.400 -0.441 0.000 2.189 596 K HA -0.144 4.174 4.320 -0.005 0.000 0.207 596 K C 0.488 176.682 176.600 -0.676 0.000 1.046 596 K CA 1.623 57.475 56.287 -0.724 0.000 0.928 596 K CB -0.179 31.598 32.500 -1.206 0.000 0.720 596 K HN 0.701 nan 8.250 nan 0.000 0.458 597 W N -0.294 120.990 121.300 -0.027 0.000 3.316 597 W HA 0.273 4.930 4.660 -0.005 0.000 0.327 597 W C 0.923 177.373 176.519 -0.115 0.000 1.232 597 W CA -0.092 57.238 57.345 -0.024 0.000 1.805 597 W CB 0.548 30.033 29.460 0.043 0.000 1.090 597 W HN 0.246 nan 8.180 nan 0.000 0.654 598 G N 0.638 109.414 108.800 -0.040 0.000 2.132 598 G HA2 -0.244 3.713 3.960 -0.005 0.000 0.234 598 G HA3 -0.244 3.713 3.960 -0.005 0.000 0.234 598 G C -0.172 174.525 174.900 -0.338 0.000 0.989 598 G CA -0.413 44.572 45.100 -0.191 0.000 0.676 598 G HN 0.426 nan 8.290 nan 0.000 0.522 599 H N 0.022 119.062 119.070 -0.049 0.000 2.492 599 H HA 0.378 4.931 4.556 -0.005 0.000 0.345 599 H C -2.469 172.812 175.328 -0.079 0.000 1.136 599 H CA -1.883 54.107 56.048 -0.097 0.000 1.202 599 H CB 1.951 31.633 29.762 -0.135 0.000 1.524 599 H HN 0.028 nan 8.280 nan 0.000 0.506 600 P HA -0.021 nan 4.420 nan 0.000 0.265 600 P C -0.140 177.251 177.300 0.151 0.000 1.193 600 P CA 0.119 63.275 63.100 0.094 0.000 0.765 600 P CB 0.497 32.273 31.700 0.126 0.000 0.823 601 R N 2.192 122.785 120.500 0.155 0.000 2.316 601 R HA 0.612 4.949 4.340 -0.005 0.000 0.314 601 R C 0.564 177.095 176.300 0.385 0.000 1.069 601 R CA -0.515 55.681 56.100 0.159 0.000 0.959 601 R CB 0.156 30.421 30.300 -0.059 0.000 0.987 601 R HN 0.501 nan 8.270 nan 0.000 0.446 602 G N 1.890 110.927 108.800 0.395 0.000 2.574 602 G HA2 0.501 4.458 3.960 -0.005 0.000 0.299 602 G HA3 0.501 4.458 3.960 -0.005 0.000 0.299 602 G C -1.839 173.284 174.900 0.371 0.000 1.298 602 G CA -0.632 44.774 45.100 0.511 0.000 0.952 602 G HN 0.463 nan 8.290 nan 0.000 0.477 603 Y N 0.297 120.784 120.300 0.312 0.000 2.338 603 Y HA 0.479 5.026 4.550 -0.005 0.000 0.333 603 Y C 0.648 176.688 175.900 0.233 0.000 0.968 603 Y CA -0.753 57.447 58.100 0.167 0.000 1.123 603 Y CB 1.950 40.434 38.460 0.040 0.000 1.165 603 Y HN 0.532 nan 8.280 nan 0.000 0.452 604 R N 4.446 125.066 120.500 0.200 0.000 2.390 604 R HA 0.494 4.831 4.340 -0.005 0.000 0.291 604 R C -1.101 175.293 176.300 0.157 0.000 1.070 604 R CA -0.223 55.975 56.100 0.163 0.000 1.014 604 R CB 0.431 30.713 30.300 -0.030 0.000 1.007 604 R HN 0.714 nan 8.270 nan 0.000 0.466 605 I N 4.283 124.929 120.570 0.127 0.000 2.312 605 I HA 0.167 4.334 4.170 -0.005 0.000 0.290 605 I C -0.054 176.085 176.117 0.036 0.000 1.008 605 I CA -0.195 61.156 61.300 0.085 0.000 1.226 605 I CB 1.505 39.512 38.000 0.011 0.000 1.371 605 I HN 0.506 nan 8.210 nan 0.000 0.468 606 Q N 7.993 127.844 119.800 0.085 0.000 2.325 606 Q HA 0.541 4.878 4.340 -0.005 0.000 0.270 606 Q C -1.373 174.696 176.000 0.116 0.000 1.020 606 Q CA -0.767 55.058 55.803 0.036 0.000 0.785 606 Q CB 1.818 30.544 28.738 -0.019 0.000 1.259 606 Q HN 0.635 nan 8.270 nan 0.000 0.452 607 M N 4.174 123.797 119.600 0.039 0.000 2.318 607 M HA 0.383 4.860 4.480 -0.005 0.000 0.347 607 M C -0.910 175.384 176.300 -0.010 0.000 1.175 607 M CA -0.617 54.714 55.300 0.052 0.000 1.075 607 M CB 1.188 33.797 32.600 0.015 0.000 1.614 607 M HN 0.487 nan 8.290 nan 0.000 0.456 608 L N 2.199 123.404 121.223 -0.029 0.000 2.384 608 L HA 0.540 4.877 4.340 -0.005 0.000 0.261 608 L C -0.332 176.362 176.870 -0.294 0.000 1.024 608 L CA -0.128 54.604 54.840 -0.181 0.000 0.899 608 L CB 1.131 43.123 42.059 -0.112 0.000 1.243 608 L HN 0.647 nan 8.230 nan 0.000 0.449 609 S N 1.618 117.040 115.700 -0.463 0.000 2.543 609 S HA 0.666 5.133 4.470 -0.005 0.000 0.271 609 S C -0.872 173.412 174.600 -0.527 0.000 1.148 609 S CA -0.418 57.571 58.200 -0.351 0.000 0.914 609 S CB 0.827 64.019 63.200 -0.013 0.000 1.096 609 S HN 0.352 nan 8.310 nan 0.000 0.471 610 F N 2.694 122.721 119.950 0.128 0.000 2.893 610 F HA 0.506 5.030 4.527 -0.005 0.000 0.340 610 F C 1.032 176.924 175.800 0.154 0.000 1.300 610 F CA -0.671 57.398 58.000 0.115 0.000 1.227 610 F CB 0.188 39.239 39.000 0.085 0.000 1.044 610 F HN 0.676 nan 8.300 nan 0.000 0.512 611 A N 0.932 123.895 122.820 0.239 0.000 2.598 611 A HA 0.336 4.653 4.320 -0.005 0.000 0.239 611 A C 1.152 178.842 177.584 0.177 0.000 1.032 611 A CA 0.546 52.713 52.037 0.217 0.000 0.760 611 A CB -0.281 18.822 19.000 0.172 0.000 0.946 611 A HN 0.625 nan 8.150 nan 0.000 0.512 612 G N 1.436 110.322 108.800 0.143 0.000 2.544 612 G HA2 0.371 4.328 3.960 -0.005 0.000 0.242 612 G HA3 0.371 4.328 3.960 -0.005 0.000 0.242 612 G C 0.162 175.091 174.900 0.048 0.000 1.247 612 G CA -0.295 44.850 45.100 0.075 0.000 0.840 612 G HN 0.932 nan 8.290 nan 0.000 0.578 613 E N 1.621 121.838 120.200 0.028 0.000 2.529 613 E HA 0.031 4.378 4.350 -0.005 0.000 0.259 613 E C -1.600 174.993 176.600 -0.011 0.000 0.966 613 E CA -0.967 55.439 56.400 0.009 0.000 0.937 613 E CB 0.579 30.281 29.700 0.003 0.000 0.923 613 E HN 0.230 nan 8.360 nan 0.000 0.468 614 P HA 0.037 nan 4.420 nan 0.000 0.277 614 P C -0.506 176.773 177.300 -0.034 0.000 1.240 614 P CA -0.528 62.544 63.100 -0.046 0.000 0.798 614 P CB 0.596 32.249 31.700 -0.077 0.000 0.979 615 L N 4.233 125.449 121.223 -0.011 0.000 2.601 615 L HA 0.080 4.417 4.340 -0.005 0.000 0.277 615 L C -2.002 174.851 176.870 -0.030 0.000 1.219 615 L CA -0.799 54.047 54.840 0.011 0.000 0.915 615 L CB -1.085 41.035 42.059 0.102 0.000 1.160 615 L HN 0.316 nan 8.230 nan 0.000 0.494 616 P HA -0.013 nan 4.420 nan 0.000 0.265 616 P C 0.092 177.358 177.300 -0.056 0.000 1.187 616 P CA 0.019 63.097 63.100 -0.037 0.000 0.766 616 P CB 0.439 32.127 31.700 -0.020 0.000 0.820 617 Q N 1.300 121.060 119.800 -0.066 0.000 2.181 617 Q HA -0.204 4.133 4.340 -0.005 0.000 0.205 617 Q C 1.442 177.405 176.000 -0.061 0.000 0.980 617 Q CA 1.478 57.233 55.803 -0.079 0.000 0.862 617 Q CB -0.325 28.369 28.738 -0.075 0.000 0.905 617 Q HN 0.549 nan 8.270 nan 0.000 0.429 618 N N 0.212 118.888 118.700 -0.039 0.000 2.289 618 N HA -0.092 4.645 4.740 -0.005 0.000 0.184 618 N C 0.497 175.999 175.510 -0.014 0.000 1.016 618 N CA -0.149 52.888 53.050 -0.023 0.000 0.872 618 N CB 0.058 38.537 38.487 -0.012 0.000 0.973 618 N HN -0.018 nan 8.380 nan 0.000 0.433 619 S N 0.485 116.173 115.700 -0.019 0.000 2.563 619 S HA -0.028 4.439 4.470 -0.005 0.000 0.294 619 S C 1.366 175.960 174.600 -0.009 0.000 1.279 619 S CA -0.357 57.842 58.200 -0.003 0.000 1.069 619 S CB 0.605 63.793 63.200 -0.021 0.000 0.828 619 S HN 0.359 nan 8.310 nan 0.000 0.497 620 S N 4.727 120.469 115.700 0.070 0.000 2.515 620 S HA -0.133 4.334 4.470 -0.005 0.000 0.231 620 S C 1.518 176.157 174.600 0.065 0.000 0.987 620 S CA 0.996 59.269 58.200 0.122 0.000 0.936 620 S CB -0.532 62.808 63.200 0.233 0.000 0.766 620 S HN 0.946 nan 8.310 nan 0.000 0.528 621 M N -0.512 119.025 119.600 -0.105 0.000 2.428 621 M HA 0.601 5.078 4.480 -0.005 0.000 0.239 621 M C 1.866 177.779 176.300 -0.645 0.000 1.121 621 M CA 0.436 55.456 55.300 -0.466 0.000 1.019 621 M CB -0.072 32.156 32.600 -0.619 0.000 1.485 621 M HN 0.184 nan 8.290 nan 0.000 0.484 622 A N 2.124 124.647 122.820 -0.494 0.000 1.940 622 A HA -0.114 4.203 4.320 -0.005 0.000 0.219 622 A C 2.156 179.289 177.584 -0.752 0.000 1.176 622 A CA 1.416 53.062 52.037 -0.652 0.000 0.631 622 A CB -0.543 18.263 19.000 -0.324 0.000 0.814 622 A HN 0.583 nan 8.150 nan 0.000 0.446 623 R N -0.359 119.857 120.500 -0.472 0.000 2.293 623 R HA -0.089 4.248 4.340 -0.005 0.000 0.219 623 R C 1.942 178.021 176.300 -0.368 0.000 1.091 623 R CA 0.945 56.846 56.100 -0.332 0.000 1.004 623 R CB -1.079 29.110 30.300 -0.184 0.000 0.865 623 R HN 0.521 nan 8.270 nan 0.000 0.469 624 G N 0.659 109.111 108.800 -0.580 0.000 2.744 624 G HA2 -0.073 3.884 3.960 -0.005 0.000 0.211 624 G HA3 -0.073 3.884 3.960 -0.005 0.000 0.211 624 G C 0.336 175.087 174.900 -0.248 0.000 1.143 624 G CA 0.065 44.924 45.100 -0.401 0.000 0.788 624 G HN 0.392 nan 8.290 nan 0.000 0.534 625 F N -1.156 118.650 119.950 -0.240 0.000 2.526 625 F HA 0.295 4.819 4.527 -0.005 0.000 0.379 625 F C 1.043 176.418 175.800 -0.709 0.000 1.506 625 F CA -0.737 56.972 58.000 -0.485 0.000 1.076 625 F CB -0.454 38.214 39.000 -0.554 0.000 1.746 625 F HN -0.026 nan 8.300 nan 0.000 0.520 626 S N -0.146 115.350 115.700 -0.340 0.000 2.555 626 S HA -0.143 4.324 4.470 -0.005 0.000 0.230 626 S C 1.553 176.141 174.600 -0.021 0.000 0.978 626 S CA 0.529 58.607 58.200 -0.204 0.000 0.934 626 S CB -0.805 62.345 63.200 -0.084 0.000 0.766 626 S HN 0.775 nan 8.310 nan 0.000 0.533 627 W N 1.696 122.976 121.300 -0.034 0.000 2.468 627 W HA 0.044 4.701 4.660 -0.005 0.000 0.262 627 W C 1.405 177.841 176.519 -0.138 0.000 1.241 627 W CA 0.774 57.930 57.345 -0.315 0.000 1.232 627 W CB -0.650 27.966 29.460 -1.407 0.000 1.124 627 W HN 0.446 nan 8.180 nan 0.000 0.597 628 E N 1.475 121.353 120.200 -0.538 0.000 2.274 628 E HA -0.152 4.195 4.350 -0.005 0.000 0.194 628 E C 2.066 178.589 176.600 -0.128 0.000 0.996 628 E CA 0.805 56.947 56.400 -0.429 0.000 0.840 628 E CB -0.071 29.252 29.700 -0.629 0.000 0.772 628 E HN 0.347 nan 8.360 nan 0.000 0.491 629 R N -0.766 119.628 120.500 -0.177 0.000 2.189 629 R HA -0.043 4.294 4.340 -0.005 0.000 0.218 629 R C 0.122 176.250 176.300 -0.286 0.000 1.074 629 R CA 0.563 56.490 56.100 -0.288 0.000 0.991 629 R CB 0.029 30.030 30.300 -0.498 0.000 0.883 629 R HN 0.111 nan 8.270 nan 0.000 0.457 630 Y N 0.446 120.830 120.300 0.141 0.000 2.330 630 Y HA 0.137 4.684 4.550 -0.005 0.000 0.336 630 Y C 1.325 177.374 175.900 0.249 0.000 1.036 630 Y CA -0.668 57.561 58.100 0.216 0.000 1.125 630 Y CB 1.420 40.059 38.460 0.298 0.000 1.194 630 Y HN -0.156 nan 8.280 nan 0.000 0.469 631 Q N 1.512 121.544 119.800 0.387 0.000 2.123 631 Q HA 0.012 4.349 4.340 -0.005 0.000 0.199 631 Q C -0.559 175.643 176.000 0.336 0.000 0.966 631 Q CA 0.909 56.900 55.803 0.313 0.000 0.845 631 Q CB 0.372 29.252 28.738 0.235 0.000 0.907 631 Q HN 0.530 nan 8.270 nan 0.000 0.439 632 L N -1.362 120.113 121.223 0.420 0.000 2.505 632 L HA 0.676 5.013 4.340 -0.005 0.000 0.259 632 L C -2.206 174.917 176.870 0.422 0.000 0.952 632 L CA -0.575 54.493 54.840 0.380 0.000 0.840 632 L CB 2.166 44.422 42.059 0.328 0.000 1.358 632 L HN -0.108 nan 8.230 nan 0.000 0.409 633 A N 3.663 126.717 122.820 0.389 0.000 2.455 633 A HA 0.821 5.138 4.320 -0.005 0.000 0.300 633 A C -1.806 176.012 177.584 0.390 0.000 1.040 633 A CA -0.540 51.684 52.037 0.312 0.000 0.697 633 A CB 1.984 21.114 19.000 0.217 0.000 1.265 633 A HN 0.620 nan 8.150 nan 0.000 0.407 634 V N 2.524 122.586 119.914 0.248 0.000 2.378 634 V HA 0.670 4.787 4.120 -0.005 0.000 0.288 634 V C 0.397 176.601 176.094 0.184 0.000 1.016 634 V CA 0.006 62.435 62.300 0.215 0.000 0.840 634 V CB 1.099 32.999 31.823 0.128 0.000 0.994 634 V HN 1.137 nan 8.190 nan 0.000 0.431 635 T N 1.512 116.234 114.554 0.280 0.000 2.942 635 T HA 0.539 4.886 4.350 -0.005 0.000 0.289 635 T C -0.350 174.425 174.700 0.125 0.000 1.044 635 T CA -0.898 61.328 62.100 0.209 0.000 1.023 635 T CB 1.568 70.641 68.868 0.342 0.000 1.123 635 T HN 0.532 nan 8.240 nan 0.000 0.512 636 Q N 1.145 120.974 119.800 0.048 0.000 2.255 636 Q HA 0.145 4.482 4.340 -0.005 0.000 0.280 636 Q C 0.195 176.218 176.000 0.038 0.000 1.068 636 Q CA -0.212 55.593 55.803 0.003 0.000 0.911 636 Q CB 0.583 29.298 28.738 -0.038 0.000 1.157 636 Q HN 0.544 nan 8.270 nan 0.000 0.380 637 R N 3.050 123.562 120.500 0.021 0.000 2.449 637 R HA 0.050 4.387 4.340 -0.005 0.000 0.296 637 R C -0.941 175.353 176.300 -0.010 0.000 1.047 637 R CA 0.686 56.801 56.100 0.025 0.000 1.018 637 R CB 0.497 30.786 30.300 -0.018 0.000 0.962 637 R HN 0.364 nan 8.270 nan 0.000 0.428 638 K N 3.490 123.887 120.400 -0.005 0.000 2.443 638 K HA 0.089 4.406 4.320 -0.005 0.000 0.252 638 K C -0.146 176.444 176.600 -0.017 0.000 0.933 638 K CA -0.895 55.367 56.287 -0.042 0.000 0.792 638 K CB 1.930 34.370 32.500 -0.100 0.000 1.185 638 K HN 0.542 nan 8.250 nan 0.000 0.425 639 E N 1.774 121.965 120.200 -0.014 0.000 2.130 639 E HA -0.215 4.132 4.350 -0.005 0.000 0.196 639 E C 0.342 176.953 176.600 0.018 0.000 0.998 639 E CA 1.865 58.272 56.400 0.013 0.000 0.806 639 E CB 0.249 29.952 29.700 0.003 0.000 0.738 639 E HN 0.507 nan 8.360 nan 0.000 0.459 640 E N -0.137 120.050 120.200 -0.023 0.000 2.476 640 E HA 0.088 4.435 4.350 -0.005 0.000 0.191 640 E C -0.247 176.310 176.600 -0.073 0.000 1.064 640 E CA 0.217 56.597 56.400 -0.032 0.000 0.866 640 E CB 0.389 30.058 29.700 -0.051 0.000 0.952 640 E HN 0.238 nan 8.360 nan 0.000 0.492 641 E N 1.157 121.292 120.200 -0.107 0.000 3.786 641 E HA 0.096 4.443 4.350 -0.005 0.000 0.215 641 E C -1.842 174.858 176.600 0.166 0.000 1.188 641 E CA -1.193 55.078 56.400 -0.214 0.000 1.248 641 E CB 0.776 29.971 29.700 -0.841 0.000 1.260 641 E HN 0.098 nan 8.360 nan 0.000 0.426 642 P HA -0.020 nan 4.420 nan 0.000 0.224 642 P C -0.031 177.537 177.300 0.447 0.000 1.157 642 P CA 0.543 63.831 63.100 0.314 0.000 0.799 642 P CB 0.539 32.388 31.700 0.249 0.000 0.809 643 S N -0.899 115.104 115.700 0.505 0.000 2.549 643 S HA 0.279 4.746 4.470 -0.005 0.000 0.280 643 S C 0.753 175.648 174.600 0.491 0.000 1.109 643 S CA -0.377 58.119 58.200 0.493 0.000 0.905 643 S CB 1.749 65.138 63.200 0.315 0.000 1.081 643 S HN 0.054 nan 8.310 nan 0.000 0.477 644 S N 0.353 116.234 115.700 0.302 0.000 2.522 644 S HA 0.155 4.622 4.470 -0.005 0.000 0.227 644 S C 0.803 175.406 174.600 0.005 0.000 0.986 644 S CA 0.360 58.512 58.200 -0.080 0.000 0.929 644 S CB 0.016 63.034 63.200 -0.303 0.000 0.769 644 S HN 0.541 nan 8.310 nan 0.000 0.529 645 S N -0.388 115.370 115.700 0.096 0.000 2.806 645 S HA 0.770 5.237 4.470 -0.005 0.000 0.306 645 S C -1.299 173.390 174.600 0.149 0.000 1.167 645 S CA -0.421 57.858 58.200 0.131 0.000 0.847 645 S CB 1.896 65.157 63.200 0.101 0.000 1.216 645 S HN 0.370 nan 8.310 nan 0.000 0.532 646 S N -0.039 115.733 115.700 0.120 0.000 2.533 646 S HA 0.367 4.834 4.470 -0.005 0.000 0.271 646 S C 0.473 175.030 174.600 -0.072 0.000 1.143 646 S CA -0.118 58.123 58.200 0.068 0.000 0.891 646 S CB 1.283 64.577 63.200 0.157 0.000 1.105 646 S HN 0.970 nan 8.310 nan 0.000 0.468 647 V N 4.834 124.560 119.914 -0.313 0.000 2.660 647 V HA -0.072 4.045 4.120 -0.005 0.000 0.257 647 V C 1.138 176.908 176.094 -0.539 0.000 1.088 647 V CA 2.182 64.137 62.300 -0.576 0.000 1.106 647 V CB -0.860 30.220 31.823 -1.238 0.000 0.686 647 V HN 0.831 nan 8.190 nan 0.000 0.481 648 F N -0.407 119.460 119.950 -0.137 0.000 2.754 648 F HA 0.137 4.661 4.527 -0.005 0.000 0.297 648 F C 2.037 177.776 175.800 -0.101 0.000 1.122 648 F CA 0.494 58.403 58.000 -0.153 0.000 1.400 648 F CB -0.296 38.600 39.000 -0.174 0.000 1.117 648 F HN 0.201 nan 8.300 nan 0.000 0.587 649 N N 0.533 119.283 118.700 0.083 0.000 2.188 649 N HA -0.192 4.545 4.740 -0.005 0.000 0.184 649 N C 1.826 177.356 175.510 0.034 0.000 1.018 649 N CA 0.906 53.996 53.050 0.066 0.000 0.858 649 N CB -0.376 38.173 38.487 0.104 0.000 0.989 649 N HN 0.216 nan 8.380 nan 0.000 0.426 650 Q N 0.979 120.793 119.800 0.023 0.000 2.045 650 Q HA -0.050 4.287 4.340 -0.005 0.000 0.206 650 Q C 0.762 176.753 176.000 -0.014 0.000 0.991 650 Q CA 1.673 57.485 55.803 0.015 0.000 0.851 650 Q CB -0.255 28.469 28.738 -0.024 0.000 0.911 650 Q HN 0.254 nan 8.270 nan 0.000 0.418 651 N N 0.155 118.850 118.700 -0.008 0.000 2.398 651 N HA 0.034 4.771 4.740 -0.005 0.000 0.188 651 N C -0.799 174.804 175.510 0.154 0.000 1.122 651 N CA 0.562 53.640 53.050 0.047 0.000 0.866 651 N CB 0.566 39.053 38.487 -0.000 0.000 0.970 651 N HN 0.216 nan 8.380 nan 0.000 0.462 652 D N -0.771 119.686 120.400 0.095 0.000 2.934 652 D HA 0.128 4.765 4.640 -0.005 0.000 0.249 652 D C -2.201 174.093 176.300 -0.011 0.000 1.293 652 D CA -1.148 52.970 54.000 0.196 0.000 0.812 652 D CB 1.128 42.105 40.800 0.296 0.000 1.439 652 D HN -0.029 nan 8.370 nan 0.000 0.555 653 P HA 0.005 nan 4.420 nan 0.000 0.231 653 P C 1.521 178.607 177.300 -0.357 0.000 1.168 653 P CA 0.274 63.136 63.100 -0.397 0.000 0.779 653 P CB 0.054 31.421 31.700 -0.556 0.000 0.844 654 W N 0.907 122.192 121.300 -0.025 0.000 2.425 654 W HA 0.180 4.837 4.660 -0.005 0.000 0.277 654 W C 0.745 177.246 176.519 -0.030 0.000 1.231 654 W CA 0.616 57.937 57.345 -0.040 0.000 1.248 654 W CB -0.538 28.903 29.460 -0.031 0.000 1.117 654 W HN -0.008 nan 8.180 nan 0.000 0.568 655 A N 1.547 124.480 122.820 0.187 0.000 2.893 655 A HA 0.406 4.723 4.320 -0.005 0.000 0.333 655 A C -2.398 175.219 177.584 0.055 0.000 1.152 655 A CA -1.104 50.999 52.037 0.109 0.000 0.782 655 A CB 0.094 19.173 19.000 0.131 0.000 1.108 655 A HN -0.272 nan 8.150 nan 0.000 0.469 656 P HA 0.167 nan 4.420 nan 0.000 0.271 656 P C 0.659 177.980 177.300 0.036 0.000 1.218 656 P CA 0.250 63.355 63.100 0.009 0.000 0.780 656 P CB 1.038 32.723 31.700 -0.025 0.000 0.901 657 T N -0.077 114.506 114.554 0.050 0.000 3.014 657 T HA 0.082 4.429 4.350 -0.005 0.000 0.263 657 T C 0.790 175.578 174.700 0.146 0.000 1.078 657 T CA 0.783 62.908 62.100 0.041 0.000 1.135 657 T CB 0.068 68.950 68.868 0.023 0.000 0.895 657 T HN 0.221 nan 8.240 nan 0.000 0.480 658 V N 1.986 121.991 119.914 0.151 0.000 2.577 658 V HA 0.456 4.573 4.120 -0.005 0.000 0.303 658 V C -1.451 174.700 176.094 0.095 0.000 1.042 658 V CA -1.200 61.210 62.300 0.183 0.000 0.872 658 V CB 2.124 34.084 31.823 0.228 0.000 0.998 658 V HN 0.143 nan 8.190 nan 0.000 0.423 659 D N 2.963 123.401 120.400 0.064 0.000 2.453 659 D HA 0.251 4.888 4.640 -0.005 0.000 0.238 659 D C 0.490 176.695 176.300 -0.159 0.000 1.088 659 D CA -0.576 53.411 54.000 -0.021 0.000 0.854 659 D CB 1.256 42.048 40.800 -0.013 0.000 1.076 659 D HN 0.335 nan 8.370 nan 0.000 0.533 660 F N 3.266 122.972 119.950 -0.407 0.000 2.161 660 F HA -0.212 4.313 4.527 -0.005 0.000 0.300 660 F C 2.047 177.520 175.800 -0.546 0.000 1.089 660 F CA 1.449 58.958 58.000 -0.818 0.000 1.282 660 F CB -0.159 38.492 39.000 -0.582 0.000 1.010 660 F HN 0.332 nan 8.300 nan 0.000 0.485 661 S N 0.357 115.879 115.700 -0.297 0.000 2.389 661 S HA -0.295 4.172 4.470 -0.005 0.000 0.231 661 S C 1.565 176.018 174.600 -0.245 0.000 1.052 661 S CA 1.749 59.820 58.200 -0.214 0.000 1.053 661 S CB -0.621 62.552 63.200 -0.045 0.000 0.886 661 S HN 0.510 nan 8.310 nan 0.000 0.456 662 D N 0.396 120.714 120.400 -0.137 0.000 2.221 662 D HA -0.065 4.572 4.640 -0.005 0.000 0.204 662 D C 1.439 177.792 176.300 0.088 0.000 0.982 662 D CA 0.735 54.747 54.000 0.020 0.000 0.857 662 D CB -0.303 40.573 40.800 0.127 0.000 0.934 662 D HN 0.364 nan 8.370 nan 0.000 0.475 663 F N 0.684 120.391 119.950 -0.406 0.000 2.234 663 F HA 0.055 4.579 4.527 -0.005 0.000 0.299 663 F C 1.371 176.958 175.800 -0.355 0.000 1.087 663 F CA -0.118 57.639 58.000 -0.406 0.000 1.340 663 F CB -0.699 37.901 39.000 -0.667 0.000 1.031 663 F HN -0.113 nan 8.300 nan 0.000 0.500 664 I N 2.071 122.499 120.570 -0.236 0.000 2.281 664 I HA 0.116 4.283 4.170 -0.005 0.000 0.293 664 I C -0.396 175.651 176.117 -0.117 0.000 1.085 664 I CA -0.257 60.917 61.300 -0.209 0.000 1.257 664 I CB -0.251 37.556 38.000 -0.322 0.000 1.430 664 I HN 0.073 nan 8.210 nan 0.000 0.489 665 N N 3.623 122.273 118.700 -0.082 0.000 3.038 665 N HA 0.232 4.969 4.740 -0.005 0.000 0.307 665 N C -0.326 175.152 175.510 -0.053 0.000 1.441 665 N CA -1.078 51.937 53.050 -0.058 0.000 0.772 665 N CB 0.127 38.585 38.487 -0.047 0.000 1.651 665 N HN 0.145 nan 8.380 nan 0.000 0.593 666 N N -0.153 118.521 118.700 -0.042 0.000 3.127 666 N HA 0.053 4.790 4.740 -0.005 0.000 0.317 666 N C -1.225 174.261 175.510 -0.041 0.000 1.242 666 N CA 0.268 53.295 53.050 -0.039 0.000 1.203 666 N CB -0.572 37.897 38.487 -0.030 0.000 1.462 666 N HN 0.506 nan 8.380 nan 0.000 0.546 667 E N -0.551 119.620 120.200 -0.049 0.000 2.222 667 E HA 0.213 4.560 4.350 -0.005 0.000 0.267 667 E C -0.827 175.737 176.600 -0.060 0.000 0.884 667 E CA -0.675 55.694 56.400 -0.052 0.000 0.764 667 E CB 1.322 30.990 29.700 -0.054 0.000 1.169 667 E HN 0.178 nan 8.360 nan 0.000 0.413 668 T N 2.911 117.426 114.554 -0.065 0.000 2.919 668 T HA 0.236 4.583 4.350 -0.005 0.000 0.302 668 T C 0.754 175.388 174.700 -0.111 0.000 1.031 668 T CA -0.098 61.953 62.100 -0.082 0.000 1.127 668 T CB 0.167 68.986 68.868 -0.081 0.000 0.952 668 T HN 0.492 nan 8.240 nan 0.000 0.540 669 I N 1.913 122.405 120.570 -0.130 0.000 3.833 669 I HA 0.578 4.745 4.170 -0.005 0.000 0.328 669 I C 0.521 176.458 176.117 -0.300 0.000 1.554 669 I CA -0.919 60.277 61.300 -0.173 0.000 1.116 669 I CB 0.235 38.170 38.000 -0.107 0.000 1.182 669 I HN 0.502 nan 8.210 nan 0.000 0.459 670 A N 1.774 124.393 122.820 -0.335 0.000 2.444 670 A HA 0.683 5.000 4.320 -0.005 0.000 0.332 670 A C 1.062 178.079 177.584 -0.946 0.000 1.430 670 A CA 0.133 51.829 52.037 -0.568 0.000 0.975 670 A CB -0.523 18.452 19.000 -0.041 0.000 1.147 670 A HN 1.038 nan 8.150 nan 0.000 0.524 671 G N 1.909 109.554 108.800 -1.925 0.000 2.325 671 G HA2 -0.138 3.819 3.960 -0.005 0.000 0.248 671 G HA3 -0.138 3.819 3.960 -0.005 0.000 0.248 671 G C -0.249 174.224 174.900 -0.712 0.000 1.108 671 G CA 0.003 44.096 45.100 -1.679 0.000 0.881 671 G HN 0.638 nan 8.290 nan 0.000 0.494 672 K N -0.351 119.715 120.400 -0.557 0.000 2.444 672 K HA 0.442 4.759 4.320 -0.005 0.000 0.252 672 K C -0.756 175.726 176.600 -0.198 0.000 0.993 672 K CA -1.062 55.053 56.287 -0.286 0.000 0.847 672 K CB 1.538 33.908 32.500 -0.217 0.000 1.340 672 K HN 0.137 nan 8.250 nan 0.000 0.446 673 D N 2.090 122.418 120.400 -0.121 0.000 2.382 673 D HA 0.136 4.773 4.640 -0.005 0.000 0.259 673 D C -0.592 175.668 176.300 -0.066 0.000 1.224 673 D CA 0.221 54.175 54.000 -0.077 0.000 0.894 673 D CB 0.074 40.833 40.800 -0.069 0.000 1.127 673 D HN 0.264 nan 8.370 nan 0.000 0.487 674 L N 3.182 124.376 121.223 -0.048 0.000 2.334 674 L HA 0.590 4.927 4.340 -0.005 0.000 0.273 674 L C -0.146 176.702 176.870 -0.036 0.000 1.013 674 L CA -1.317 53.505 54.840 -0.030 0.000 0.816 674 L CB 1.993 44.040 42.059 -0.021 0.000 1.278 674 L HN 0.132 nan 8.230 nan 0.000 0.431 675 V N 1.530 121.419 119.914 -0.042 0.000 2.588 675 V HA 0.820 4.937 4.120 -0.005 0.000 0.304 675 V C -0.293 175.676 176.094 -0.209 0.000 1.042 675 V CA -0.314 61.875 62.300 -0.185 0.000 0.877 675 V CB 1.805 33.433 31.823 -0.326 0.000 0.996 675 V HN 0.880 nan 8.190 nan 0.000 0.425 676 A N 5.907 128.574 122.820 -0.255 0.000 2.304 676 A HA 0.809 5.126 4.320 -0.005 0.000 0.301 676 A C -1.382 175.981 177.584 -0.368 0.000 1.132 676 A CA -0.457 51.483 52.037 -0.163 0.000 0.819 676 A CB 0.592 19.529 19.000 -0.105 0.000 1.094 676 A HN 0.945 nan 8.150 nan 0.000 0.492 677 W N 1.576 122.866 121.300 -0.018 0.000 2.475 677 W HA 0.534 5.191 4.660 -0.005 0.000 0.320 677 W C -0.954 175.482 176.519 -0.138 0.000 1.022 677 W CA -0.562 56.686 57.345 -0.162 0.000 1.240 677 W CB 1.695 31.133 29.460 -0.037 0.000 1.328 677 W HN 0.410 nan 8.180 nan 0.000 0.439 678 V N 2.982 122.838 119.914 -0.098 0.000 2.417 678 V HA 0.550 4.667 4.120 -0.005 0.000 0.291 678 V C -0.019 176.206 176.094 0.218 0.000 1.024 678 V CA -0.805 61.478 62.300 -0.029 0.000 0.861 678 V CB 1.511 33.042 31.823 -0.486 0.000 0.985 678 V HN 0.494 nan 8.190 nan 0.000 0.436 679 T N 4.093 118.874 114.554 0.378 0.000 2.795 679 T HA 0.759 5.106 4.350 -0.005 0.000 0.282 679 T C 0.009 174.968 174.700 0.431 0.000 0.980 679 T CA -0.272 62.123 62.100 0.492 0.000 1.012 679 T CB 1.533 70.733 68.868 0.553 0.000 0.936 679 T HN 1.001 nan 8.240 nan 0.000 0.457 680 A N 2.127 125.263 122.820 0.527 0.000 2.414 680 A HA 1.021 5.338 4.320 -0.005 0.000 0.306 680 A C 0.052 178.005 177.584 0.616 0.000 1.054 680 A CA -0.522 51.828 52.037 0.521 0.000 0.724 680 A CB 1.826 21.185 19.000 0.599 0.000 1.267 680 A HN 1.209 nan 8.150 nan 0.000 0.418 681 G N -0.333 108.760 108.800 0.488 0.000 2.349 681 G HA2 0.748 4.705 3.960 -0.005 0.000 0.294 681 G HA3 0.748 4.705 3.960 -0.005 0.000 0.294 681 G C -1.272 173.940 174.900 0.521 0.000 1.380 681 G CA 0.122 45.508 45.100 0.477 0.000 0.811 681 G HN 2.042 nan 8.290 nan 0.000 0.519 682 F N -1.857 118.251 119.950 0.264 0.000 2.725 682 F HA 0.714 5.238 4.527 -0.005 0.000 0.309 682 F C -1.323 174.570 175.800 0.156 0.000 1.132 682 F CA -1.425 56.704 58.000 0.215 0.000 0.957 682 F CB 1.187 40.310 39.000 0.204 0.000 1.286 682 F HN 0.681 nan 8.300 nan 0.000 0.440 683 L N 2.863 124.222 121.223 0.227 0.000 2.397 683 L HA 0.465 4.802 4.340 -0.005 0.000 0.271 683 L C -0.801 176.192 176.870 0.205 0.000 1.148 683 L CA 0.254 55.140 54.840 0.077 0.000 0.825 683 L CB 0.669 42.759 42.059 0.053 0.000 1.117 683 L HN 0.874 nan 8.230 nan 0.000 0.456 684 H N 5.415 124.386 119.070 -0.166 0.000 2.970 684 H HA 0.431 4.984 4.556 -0.005 0.000 0.315 684 H C -1.247 173.913 175.328 -0.280 0.000 0.992 684 H CA -0.955 55.010 56.048 -0.138 0.000 1.363 684 H CB 0.949 30.615 29.762 -0.161 0.000 1.532 684 H HN 0.654 nan 8.280 nan 0.000 0.514 685 I N 7.661 128.298 120.570 0.112 0.000 2.306 685 I HA 0.231 4.398 4.170 -0.005 0.000 0.288 685 I C -2.256 173.950 176.117 0.147 0.000 1.036 685 I CA -2.076 59.229 61.300 0.008 0.000 1.221 685 I CB 1.177 39.193 38.000 0.027 0.000 1.385 685 I HN 0.434 nan 8.210 nan 0.000 0.472 686 P HA 0.072 nan 4.420 nan 0.000 0.267 686 P C -1.145 176.236 177.300 0.135 0.000 1.200 686 P CA 0.405 63.486 63.100 -0.032 0.000 0.772 686 P CB 0.343 31.984 31.700 -0.099 0.000 0.855 687 H N -1.287 117.825 119.070 0.070 0.000 2.960 687 H HA 0.679 5.232 4.556 -0.005 0.000 0.323 687 H C 0.778 176.130 175.328 0.039 0.000 1.326 687 H CA -0.921 55.151 56.048 0.041 0.000 1.124 687 H CB 0.263 30.046 29.762 0.035 0.000 1.853 687 H HN 0.204 nan 8.280 nan 0.000 0.536 688 A N 0.569 123.460 122.820 0.119 0.000 1.917 688 A HA -0.233 4.084 4.320 -0.005 0.000 0.219 688 A C 1.669 179.257 177.584 0.006 0.000 1.182 688 A CA 1.873 53.938 52.037 0.047 0.000 0.633 688 A CB -0.805 18.232 19.000 0.063 0.000 0.819 688 A HN 0.815 nan 8.150 nan 0.000 0.448 689 E N 0.145 120.380 120.200 0.057 0.000 2.512 689 E HA -0.085 4.263 4.350 -0.005 0.000 0.195 689 E C -0.115 176.418 176.600 -0.113 0.000 1.083 689 E CA 0.644 57.054 56.400 0.015 0.000 0.873 689 E CB -0.388 29.372 29.700 0.101 0.000 0.897 689 E HN 0.522 nan 8.360 nan 0.000 0.514 690 D N 0.698 120.948 120.400 -0.249 0.000 2.349 690 D HA 0.068 4.705 4.640 -0.005 0.000 0.224 690 D C 0.224 176.462 176.300 -0.104 0.000 1.029 690 D CA 0.210 54.097 54.000 -0.189 0.000 0.879 690 D CB 0.436 41.127 40.800 -0.181 0.000 0.906 690 D HN 0.180 nan 8.370 nan 0.000 0.528 691 I N 2.423 122.948 120.570 -0.074 0.000 2.321 691 I HA 0.126 4.293 4.170 -0.005 0.000 0.291 691 I C -1.266 174.827 176.117 -0.040 0.000 0.998 691 I CA -1.993 59.282 61.300 -0.041 0.000 1.227 691 I CB 1.343 39.334 38.000 -0.015 0.000 1.368 691 I HN -0.232 nan 8.210 nan 0.000 0.466 692 P HA 0.042 nan 4.420 nan 0.000 0.230 692 P C 0.069 177.184 177.300 -0.309 0.000 1.168 692 P CA 0.720 63.769 63.100 -0.086 0.000 0.793 692 P CB 0.888 32.554 31.700 -0.056 0.000 0.851 693 N N -0.989 117.540 118.700 -0.286 0.000 2.229 693 N HA 0.224 4.961 4.740 -0.005 0.000 0.298 693 N C -0.790 174.611 175.510 -0.183 0.000 1.114 693 N CA -0.457 52.392 53.050 -0.334 0.000 0.776 693 N CB 1.893 40.162 38.487 -0.363 0.000 1.501 693 N HN -0.255 nan 8.380 nan 0.000 0.474 694 T N 1.123 115.593 114.554 -0.139 0.000 2.870 694 T HA 0.140 4.487 4.350 -0.005 0.000 0.300 694 T C 0.708 175.339 174.700 -0.115 0.000 0.989 694 T CA -0.476 61.569 62.100 -0.092 0.000 1.139 694 T CB 0.417 69.276 68.868 -0.014 0.000 0.920 694 T HN 0.294 nan 8.240 nan 0.000 0.537 695 V N 1.827 121.678 119.914 -0.106 0.000 3.036 695 V HA 0.457 4.574 4.120 -0.005 0.000 0.308 695 V C 1.372 177.407 176.094 -0.099 0.000 1.070 695 V CA -0.238 62.002 62.300 -0.100 0.000 1.056 695 V CB 0.828 32.603 31.823 -0.080 0.000 1.084 695 V HN 0.966 nan 8.190 nan 0.000 0.471 696 T N -0.620 113.875 114.554 -0.098 0.000 3.081 696 T HA 0.053 4.400 4.350 -0.005 0.000 0.255 696 T C 0.805 175.508 174.700 0.005 0.000 1.113 696 T CA 0.771 62.841 62.100 -0.049 0.000 1.082 696 T CB -0.111 68.619 68.868 -0.230 0.000 0.939 696 T HN 1.242 nan 8.240 nan 0.000 0.506 697 V N 1.498 121.382 119.914 -0.050 0.000 2.521 697 V HA 0.544 4.661 4.120 -0.005 0.000 0.286 697 V C 1.373 177.420 176.094 -0.079 0.000 1.034 697 V CA 0.679 62.955 62.300 -0.040 0.000 1.045 697 V CB -0.278 31.518 31.823 -0.046 0.000 0.974 697 V HN 0.850 nan 8.190 nan 0.000 0.480 698 G N 5.123 113.879 108.800 -0.073 0.000 2.205 698 G HA2 -0.279 3.678 3.960 -0.005 0.000 0.261 698 G HA3 -0.279 3.678 3.960 -0.005 0.000 0.261 698 G C 0.433 175.176 174.900 -0.262 0.000 0.980 698 G CA 0.486 45.498 45.100 -0.145 0.000 0.632 698 G HN 0.880 nan 8.290 nan 0.000 0.533 699 N N 1.172 119.701 118.700 -0.286 0.000 2.380 699 N HA 0.362 5.099 4.740 -0.005 0.000 0.255 699 N C 0.659 175.829 175.510 -0.568 0.000 1.158 699 N CA 0.706 53.408 53.050 -0.580 0.000 0.878 699 N CB 0.833 39.002 38.487 -0.531 0.000 1.138 699 N HN 0.591 nan 8.380 nan 0.000 0.509 700 G N 0.670 109.176 108.800 -0.489 0.000 2.415 700 G HA2 0.482 4.440 3.960 -0.005 0.000 0.317 700 G HA3 0.482 4.440 3.960 -0.005 0.000 0.317 700 G C 0.041 174.598 174.900 -0.572 0.000 1.152 700 G CA -0.357 44.196 45.100 -0.911 0.000 0.956 700 G HN 0.018 nan 8.290 nan 0.000 0.458 701 V N 1.207 120.757 119.914 -0.607 0.000 2.815 701 V HA 1.070 5.187 4.120 -0.005 0.000 0.314 701 V C 0.500 176.462 176.094 -0.220 0.000 1.064 701 V CA 0.083 62.193 62.300 -0.317 0.000 0.952 701 V CB 1.369 33.123 31.823 -0.116 0.000 1.020 701 V HN 1.378 nan 8.190 nan 0.000 0.439 702 G N 2.192 110.929 108.800 -0.106 0.000 2.593 702 G HA2 0.572 4.529 3.960 -0.005 0.000 0.103 702 G HA3 0.572 4.529 3.960 -0.005 0.000 0.103 702 G C -1.218 173.682 174.900 -0.000 0.000 1.103 702 G CA 0.101 45.153 45.100 -0.080 0.000 1.109 702 G HN 1.986 nan 8.290 nan 0.000 0.516 703 F N -1.924 117.818 119.950 -0.347 0.000 2.741 703 F HA 0.829 5.353 4.527 -0.005 0.000 0.311 703 F C -2.007 173.536 175.800 -0.428 0.000 1.149 703 F CA -1.841 55.996 58.000 -0.272 0.000 0.930 703 F CB 1.033 39.928 39.000 -0.175 0.000 1.312 703 F HN 0.429 nan 8.300 nan 0.000 0.450 704 F N 2.062 122.030 119.950 0.029 0.000 2.450 704 F HA 0.706 5.230 4.527 -0.005 0.000 0.332 704 F C -0.480 175.382 175.800 0.102 0.000 1.093 704 F CA -0.867 57.103 58.000 -0.050 0.000 1.003 704 F CB 2.007 40.944 39.000 -0.105 0.000 1.151 704 F HN 0.370 nan 8.300 nan 0.000 0.474 705 L N 5.242 126.624 121.223 0.264 0.000 2.295 705 L HA 0.576 4.914 4.340 -0.005 0.000 0.281 705 L C -0.618 176.457 176.870 0.341 0.000 1.018 705 L CA -0.673 54.350 54.840 0.305 0.000 0.841 705 L CB 0.813 43.016 42.059 0.240 0.000 1.218 705 L HN 0.572 nan 8.230 nan 0.000 0.424 706 R N 3.378 123.997 120.500 0.198 0.000 2.599 706 R HA 0.573 4.910 4.340 -0.005 0.000 0.295 706 R C -2.901 173.122 176.300 -0.461 0.000 0.963 706 R CA -2.145 53.928 56.100 -0.044 0.000 0.883 706 R CB 1.766 32.025 30.300 -0.069 0.000 1.171 706 R HN 0.187 nan 8.270 nan 0.000 0.450 707 P HA -0.033 nan 4.420 nan 0.000 0.271 707 P C -1.329 175.813 177.300 -0.264 0.000 1.220 707 P CA 0.139 62.658 63.100 -0.968 0.000 0.768 707 P CB 0.334 31.809 31.700 -0.376 0.000 0.848 708 Y N 4.132 124.229 120.300 -0.339 0.000 2.488 708 Y HA 0.218 4.765 4.550 -0.005 0.000 0.330 708 Y C 0.331 176.119 175.900 -0.186 0.000 1.013 708 Y CA -0.421 57.532 58.100 -0.245 0.000 1.304 708 Y CB 0.285 38.528 38.460 -0.360 0.000 1.098 708 Y HN 0.369 nan 8.280 nan 0.000 0.498 709 N N 3.403 121.884 118.700 -0.365 0.000 2.741 709 N HA -0.318 4.419 4.740 -0.005 0.000 0.251 709 N C 0.432 175.914 175.510 -0.047 0.000 1.112 709 N CA 1.548 54.457 53.050 -0.235 0.000 0.750 709 N CB -1.698 36.552 38.487 -0.395 0.000 1.119 709 N HN 0.795 nan 8.380 nan 0.000 0.561 710 F N 0.109 119.937 119.950 -0.202 0.000 2.149 710 F HA 0.168 4.692 4.527 -0.005 0.000 0.294 710 F C 0.953 176.548 175.800 -0.342 0.000 1.095 710 F CA 0.940 58.764 58.000 -0.293 0.000 1.276 710 F CB 0.133 38.828 39.000 -0.508 0.000 1.023 710 F HN -0.019 nan 8.300 nan 0.000 0.480 711 F N 0.378 120.446 119.950 0.197 0.000 2.364 711 F HA 0.226 4.750 4.527 -0.005 0.000 0.316 711 F C 1.368 177.206 175.800 0.064 0.000 1.133 711 F CA -0.772 57.296 58.000 0.113 0.000 1.051 711 F CB 0.130 39.261 39.000 0.219 0.000 1.342 711 F HN -0.260 nan 8.300 nan 0.000 0.507 712 D N -0.563 120.007 120.400 0.284 0.000 2.346 712 D HA 0.063 4.700 4.640 -0.005 0.000 0.206 712 D C -0.024 176.493 176.300 0.363 0.000 1.001 712 D CA 0.653 54.768 54.000 0.192 0.000 0.871 712 D CB 0.236 41.035 40.800 -0.002 0.000 0.943 712 D HN 0.697 nan 8.370 nan 0.000 0.518 713 E N -0.585 119.794 120.200 0.298 0.000 2.432 713 E HA 0.158 4.505 4.350 -0.005 0.000 0.279 713 E C -1.536 175.161 176.600 0.162 0.000 1.099 713 E CA -0.888 55.626 56.400 0.190 0.000 0.859 713 E CB 0.700 30.456 29.700 0.094 0.000 1.402 713 E HN -0.274 nan 8.360 nan 0.000 0.451 714 D N 1.014 121.461 120.400 0.078 0.000 2.401 714 D HA 0.149 4.786 4.640 -0.005 0.000 0.254 714 D C -1.582 174.757 176.300 0.065 0.000 1.192 714 D CA -1.940 52.085 54.000 0.041 0.000 0.885 714 D CB 1.287 42.109 40.800 0.036 0.000 1.147 714 D HN 0.136 nan 8.370 nan 0.000 0.478 715 P HA -0.157 nan 4.420 nan 0.000 0.219 715 P C 1.129 178.560 177.300 0.218 0.000 1.146 715 P CA 1.104 64.245 63.100 0.068 0.000 0.808 715 P CB 0.051 31.685 31.700 -0.111 0.000 0.779 716 S N -1.657 114.125 115.700 0.138 0.000 2.555 716 S HA -0.120 4.347 4.470 -0.005 0.000 0.230 716 S C 1.694 176.350 174.600 0.094 0.000 0.978 716 S CA -0.006 58.270 58.200 0.128 0.000 0.934 716 S CB -1.526 61.741 63.200 0.112 0.000 0.766 716 S HN 0.045 nan 8.310 nan 0.000 0.533 717 F N 1.872 121.777 119.950 -0.075 0.000 2.250 717 F HA 0.013 4.537 4.527 -0.005 0.000 0.301 717 F C 1.142 176.757 175.800 -0.309 0.000 1.077 717 F CA 0.936 58.790 58.000 -0.243 0.000 1.348 717 F CB -0.357 38.401 39.000 -0.404 0.000 1.040 717 F HN 0.286 nan 8.300 nan 0.000 0.509 718 Y N -0.532 119.690 120.300 -0.130 0.000 2.457 718 Y HA 0.228 4.775 4.550 -0.005 0.000 0.263 718 Y C 1.448 177.268 175.900 -0.134 0.000 1.164 718 Y CA 0.114 58.102 58.100 -0.187 0.000 1.274 718 Y CB -0.462 37.967 38.460 -0.052 0.000 1.097 718 Y HN -0.090 nan 8.280 nan 0.000 0.523 719 S N 0.803 116.516 115.700 0.021 0.000 2.558 719 S HA 0.089 4.556 4.470 -0.005 0.000 0.291 719 S C 1.526 176.125 174.600 -0.002 0.000 1.306 719 S CA 0.298 58.514 58.200 0.027 0.000 1.056 719 S CB 0.878 64.103 63.200 0.041 0.000 0.836 719 S HN 0.486 nan 8.310 nan 0.000 0.504 720 A N 3.658 126.487 122.820 0.015 0.000 2.066 720 A HA 0.039 4.356 4.320 -0.005 0.000 0.218 720 A C 1.332 178.931 177.584 0.025 0.000 1.157 720 A CA 1.175 53.219 52.037 0.011 0.000 0.670 720 A CB -0.220 18.788 19.000 0.013 0.000 0.804 720 A HN 0.843 nan 8.150 nan 0.000 0.453 721 D N -0.508 119.916 120.400 0.040 0.000 2.369 721 D HA 0.099 4.736 4.640 -0.005 0.000 0.211 721 D C 0.691 177.036 176.300 0.074 0.000 1.077 721 D CA 0.382 54.418 54.000 0.061 0.000 0.842 721 D CB 0.146 40.989 40.800 0.073 0.000 0.947 721 D HN 0.336 nan 8.370 nan 0.000 0.509 722 S N 0.498 116.229 115.700 0.052 0.000 2.562 722 S HA 0.281 4.748 4.470 -0.005 0.000 0.281 722 S C 0.005 174.668 174.600 0.106 0.000 1.333 722 S CA -0.298 57.937 58.200 0.059 0.000 1.052 722 S CB 0.533 63.722 63.200 -0.017 0.000 0.884 722 S HN 0.032 nan 8.310 nan 0.000 0.506 723 I N 3.894 124.564 120.570 0.167 0.000 2.465 723 I HA 0.498 4.665 4.170 -0.005 0.000 0.291 723 I C -1.099 175.201 176.117 0.304 0.000 1.014 723 I CA -0.663 60.793 61.300 0.261 0.000 1.093 723 I CB 1.837 40.035 38.000 0.330 0.000 1.267 723 I HN 0.810 nan 8.210 nan 0.000 0.431 724 Y N 8.193 128.602 120.300 0.181 0.000 2.513 724 Y HA 0.708 5.255 4.550 -0.005 0.000 0.340 724 Y C -1.771 174.268 175.900 0.232 0.000 1.055 724 Y CA -1.182 56.970 58.100 0.087 0.000 1.020 724 Y CB 1.620 40.094 38.460 0.023 0.000 1.301 724 Y HN 0.431 nan 8.280 nan 0.000 0.453 725 F N 2.572 122.096 119.950 -0.711 0.000 2.665 725 F HA 0.707 5.231 4.527 -0.005 0.000 0.308 725 F C -1.463 173.985 175.800 -0.586 0.000 1.112 725 F CA -1.483 56.203 58.000 -0.522 0.000 0.972 725 F CB 1.184 40.103 39.000 -0.135 0.000 1.295 725 F HN 0.432 nan 8.300 nan 0.000 0.440 726 R N 0.357 120.801 120.500 -0.093 0.000 2.543 726 R HA 0.480 4.817 4.340 -0.005 0.000 0.268 726 R C 1.167 177.588 176.300 0.202 0.000 1.067 726 R CA -0.256 55.872 56.100 0.046 0.000 1.142 726 R CB 1.102 31.474 30.300 0.119 0.000 1.110 726 R HN 1.084 nan 8.270 nan 0.000 0.549 727 G N 0.525 109.441 108.800 0.193 0.000 2.509 727 G HA2 -0.193 3.764 3.960 -0.005 0.000 0.218 727 G HA3 -0.193 3.764 3.960 -0.005 0.000 0.218 727 G C 0.347 175.335 174.900 0.147 0.000 1.124 727 G CA 0.508 45.723 45.100 0.191 0.000 0.776 727 G HN 0.712 nan 8.290 nan 0.000 0.547 728 D N -0.289 120.193 120.400 0.136 0.000 2.738 728 D HA 0.126 4.763 4.640 -0.005 0.000 0.246 728 D C 0.563 176.912 176.300 0.082 0.000 1.270 728 D CA -0.481 53.578 54.000 0.099 0.000 0.833 728 D CB -0.370 40.486 40.800 0.094 0.000 1.040 728 D HN 0.525 nan 8.370 nan 0.000 0.487 729 Q N -1.360 118.490 119.800 0.084 0.000 2.501 729 Q HA 0.369 4.706 4.340 -0.005 0.000 0.288 729 Q C -1.512 174.494 176.000 0.010 0.000 1.051 729 Q CA -0.969 54.868 55.803 0.057 0.000 0.788 729 Q CB 1.174 29.960 28.738 0.080 0.000 1.469 729 Q HN -0.164 nan 8.270 nan 0.000 0.416 730 D N 0.671 121.060 120.400 -0.019 0.000 2.359 730 D HA 0.285 4.922 4.640 -0.005 0.000 0.250 730 D C 0.488 176.699 176.300 -0.148 0.000 1.264 730 D CA 0.206 54.162 54.000 -0.073 0.000 0.911 730 D CB 1.214 41.984 40.800 -0.049 0.000 1.056 730 D HN 0.643 nan 8.370 nan 0.000 0.499 731 A N 3.072 125.711 122.820 -0.301 0.000 2.168 731 A HA 0.078 4.395 4.320 -0.005 0.000 0.215 731 A C 1.929 179.305 177.584 -0.347 0.000 1.152 731 A CA 1.072 52.767 52.037 -0.569 0.000 0.716 731 A CB -0.125 18.153 19.000 -1.203 0.000 0.794 731 A HN 0.586 nan 8.150 nan 0.000 0.465 732 G N -0.978 107.693 108.800 -0.215 0.000 2.777 732 G HA2 0.384 4.341 3.960 -0.005 0.000 0.211 732 G HA3 0.384 4.341 3.960 -0.005 0.000 0.211 732 G C 0.627 175.474 174.900 -0.088 0.000 1.149 732 G CA 0.619 45.637 45.100 -0.137 0.000 0.785 732 G HN 0.736 nan 8.290 nan 0.000 0.536 733 A N -0.878 121.895 122.820 -0.079 0.000 2.310 733 A HA 0.479 4.796 4.320 -0.005 0.000 0.299 733 A C 1.271 178.841 177.584 -0.024 0.000 1.147 733 A CA -0.400 51.613 52.037 -0.040 0.000 0.818 733 A CB 0.808 19.793 19.000 -0.026 0.000 1.096 733 A HN 0.140 nan 8.150 nan 0.000 0.495 734 c N 0.543 119.138 118.600 -0.009 0.000 2.422 734 c HA -0.052 4.515 4.570 -0.005 0.000 0.279 734 c C 2.427 176.528 174.090 0.019 0.000 1.305 734 c CA 1.018 57.350 56.329 0.005 0.000 1.757 734 c CB -1.021 41.493 42.510 0.008 0.000 1.962 734 c HN 0.883 nan 8.230 nan 0.000 0.499 735 E N 0.262 120.474 120.200 0.020 0.000 2.204 735 E HA -0.095 4.252 4.350 -0.005 0.000 0.194 735 E C 2.170 178.800 176.600 0.051 0.000 0.989 735 E CA 0.989 57.409 56.400 0.033 0.000 0.824 735 E CB -0.199 29.518 29.700 0.029 0.000 0.756 735 E HN 0.532 nan 8.360 nan 0.000 0.477 736 V N 0.603 120.545 119.914 0.047 0.000 2.492 736 V HA 0.012 4.130 4.120 -0.005 0.000 0.241 736 V C 0.842 176.999 176.094 0.104 0.000 1.041 736 V CA 0.635 62.982 62.300 0.078 0.000 1.057 736 V CB -0.121 31.730 31.823 0.047 0.000 0.711 736 V HN 0.101 nan 8.190 nan 0.000 0.468 737 N N 0.540 119.272 118.700 0.054 0.000 2.531 737 N HA 0.308 5.045 4.740 -0.005 0.000 0.268 737 N C -2.047 173.494 175.510 0.051 0.000 1.023 737 N CA -2.154 50.938 53.050 0.071 0.000 0.896 737 N CB 2.191 40.672 38.487 -0.009 0.000 1.233 737 N HN -0.053 nan 8.380 nan 0.000 0.512 738 P HA -0.126 nan 4.420 nan 0.000 0.223 738 P C 1.221 178.549 177.300 0.047 0.000 1.144 738 P CA 0.461 63.594 63.100 0.055 0.000 0.783 738 P CB 0.621 32.360 31.700 0.065 0.000 0.771 739 L N -0.517 120.738 121.223 0.053 0.000 2.395 739 L HA 0.122 4.459 4.340 -0.005 0.000 0.218 739 L C 2.424 179.301 176.870 0.012 0.000 1.130 739 L CA 0.970 55.834 54.840 0.040 0.000 0.826 739 L CB -1.296 40.797 42.059 0.057 0.000 0.941 739 L HN -0.099 nan 8.230 nan 0.000 0.451 740 A N -2.136 120.682 122.820 -0.003 0.000 2.067 740 A HA -0.120 4.197 4.320 -0.005 0.000 0.217 740 A C 2.106 179.686 177.584 -0.006 0.000 1.156 740 A CA 1.159 53.183 52.037 -0.021 0.000 0.683 740 A CB -0.930 18.044 19.000 -0.045 0.000 0.808 740 A HN 0.516 nan 8.150 nan 0.000 0.455 741 c N -0.981 117.623 118.600 0.007 0.000 2.576 741 c HA 0.184 4.751 4.570 -0.005 0.000 0.267 741 c C 2.230 176.331 174.090 0.019 0.000 1.364 741 c CA 0.245 56.582 56.329 0.013 0.000 1.723 741 c CB -1.532 40.989 42.510 0.018 0.000 1.778 741 c HN 0.622 nan 8.230 nan 0.000 0.572 742 L N 2.353 123.588 121.223 0.019 0.000 2.027 742 L HA 0.011 4.348 4.340 -0.005 0.000 0.206 742 L C -0.425 176.465 176.870 0.032 0.000 1.074 742 L CA 2.298 57.153 54.840 0.026 0.000 0.745 742 L CB -1.571 40.502 42.059 0.024 0.000 0.898 742 L HN 0.079 nan 8.230 nan 0.000 0.433 743 P HA -0.275 nan 4.420 nan 0.000 0.217 743 P C 1.497 178.816 177.300 0.030 0.000 1.162 743 P CA 1.748 64.863 63.100 0.026 0.000 0.901 743 P CB -0.050 31.657 31.700 0.011 0.000 0.793 744 Q N -0.884 118.931 119.800 0.025 0.000 2.020 744 Q HA -0.052 4.285 4.340 -0.005 0.000 0.198 744 Q C 1.577 177.600 176.000 0.037 0.000 0.974 744 Q CA 1.483 57.302 55.803 0.027 0.000 0.829 744 Q CB -0.495 28.255 28.738 0.020 0.000 0.894 744 Q HN 0.095 nan 8.270 nan 0.000 0.433 745 A N -0.547 122.296 122.820 0.038 0.000 2.310 745 A HA 0.411 4.728 4.320 -0.005 0.000 0.230 745 A C 0.780 178.399 177.584 0.059 0.000 1.294 745 A CA 0.691 52.754 52.037 0.043 0.000 0.898 745 A CB -0.074 18.946 19.000 0.033 0.000 0.917 745 A HN 0.359 nan 8.150 nan 0.000 0.491 746 A N -1.484 121.385 122.820 0.080 0.000 2.524 746 A HA 0.598 4.915 4.320 -0.005 0.000 0.267 746 A C 0.931 178.613 177.584 0.163 0.000 0.881 746 A CA 0.554 52.676 52.037 0.143 0.000 1.077 746 A CB -0.333 18.747 19.000 0.133 0.000 1.220 746 A HN 0.937 nan 8.150 nan 0.000 0.488 747 A N 0.019 122.898 122.820 0.098 0.000 2.476 747 A HA 0.452 4.769 4.320 -0.005 0.000 0.263 747 A C 0.889 178.500 177.584 0.046 0.000 1.342 747 A CA 0.478 52.553 52.037 0.062 0.000 0.926 747 A CB -1.570 17.455 19.000 0.041 0.000 1.019 747 A HN 1.135 nan 8.150 nan 0.000 0.515 748 c N -2.148 116.492 118.600 0.067 0.000 2.335 748 c HA 0.859 5.426 4.570 -0.005 0.000 0.363 748 c C 0.734 174.787 174.090 -0.061 0.000 1.198 748 c CA -0.747 55.599 56.329 0.028 0.000 2.279 748 c CB 0.683 43.231 42.510 0.064 0.000 2.334 748 c HN 0.722 nan 8.230 nan 0.000 0.559 749 A N 2.263 125.015 122.820 -0.113 0.000 2.302 749 A HA 0.628 4.945 4.320 -0.005 0.000 0.295 749 A C -2.299 175.071 177.584 -0.356 0.000 1.235 749 A CA -1.024 50.878 52.037 -0.225 0.000 0.876 749 A CB -0.797 18.107 19.000 -0.160 0.000 1.133 749 A HN 0.808 nan 8.150 nan 0.000 0.533 750 P HA -0.063 nan 4.420 nan 0.000 0.259 750 P C -0.489 176.596 177.300 -0.358 0.000 1.163 750 P CA 0.619 63.471 63.100 -0.413 0.000 0.760 750 P CB 0.328 31.676 31.700 -0.587 0.000 0.762 751 D N 3.916 124.177 120.400 -0.231 0.000 2.338 751 D HA 0.229 4.866 4.640 -0.005 0.000 0.255 751 D C -0.951 175.383 176.300 0.057 0.000 1.237 751 D CA 0.171 54.079 54.000 -0.154 0.000 0.883 751 D CB -0.161 40.696 40.800 0.095 0.000 1.087 751 D HN 0.154 nan 8.370 nan 0.000 0.485 752 L N 5.793 127.073 121.223 0.094 0.000 2.376 752 L HA 0.463 4.800 4.340 -0.005 0.000 0.275 752 L C -1.800 175.193 176.870 0.205 0.000 0.987 752 L CA -1.722 53.193 54.840 0.124 0.000 0.828 752 L CB 1.874 43.900 42.059 -0.054 0.000 1.249 752 L HN 0.429 nan 8.230 nan 0.000 0.409 753 P HA 0.205 nan 4.420 nan 0.000 0.272 753 P C -0.513 176.951 177.300 0.274 0.000 1.223 753 P CA -0.507 62.738 63.100 0.242 0.000 0.784 753 P CB 0.855 32.685 31.700 0.215 0.000 0.923 754 A N 2.352 125.286 122.820 0.191 0.000 2.511 754 A HA 0.134 4.451 4.320 -0.005 0.000 0.242 754 A C -0.044 177.682 177.584 0.236 0.000 1.069 754 A CA -0.346 51.810 52.037 0.200 0.000 0.763 754 A CB -0.634 18.444 19.000 0.130 0.000 1.001 754 A HN 0.561 nan 8.150 nan 0.000 0.498 755 F N 3.589 123.647 119.950 0.178 0.000 2.541 755 F HA 0.383 4.908 4.527 -0.004 0.000 0.378 755 F C 0.789 176.624 175.800 0.059 0.000 1.068 755 F CA 0.998 59.081 58.000 0.139 0.000 1.199 755 F CB 0.529 39.638 39.000 0.182 0.000 1.091 755 F HN 0.573 nan 8.300 nan 0.000 0.555 756 S N 6.145 121.455 115.700 -0.650 0.000 2.538 756 S HA 0.369 4.836 4.470 -0.005 0.000 0.288 756 S C -1.419 172.772 174.600 -0.683 0.000 1.108 756 S CA -0.791 57.136 58.200 -0.455 0.000 0.971 756 S CB 1.492 64.559 63.200 -0.222 0.000 1.041 756 S HN 0.847 nan 8.310 nan 0.000 0.483 757 H N 1.420 120.231 119.070 -0.432 0.000 2.609 757 H HA 0.597 5.151 4.556 -0.005 0.000 0.344 757 H C -0.712 174.522 175.328 -0.157 0.000 1.040 757 H CA -0.355 55.508 56.048 -0.308 0.000 1.216 757 H CB 1.539 31.243 29.762 -0.097 0.000 1.529 757 H HN 1.041 nan 8.280 nan 0.000 0.519 758 G N 1.942 110.392 108.800 -0.584 0.000 2.805 758 G HA2 0.510 4.467 3.960 -0.005 0.000 0.283 758 G HA3 0.510 4.467 3.960 -0.005 0.000 0.283 758 G C -0.671 173.970 174.900 -0.431 0.000 1.508 758 G CA -0.344 44.553 45.100 -0.339 0.000 1.042 758 G HN 0.792 nan 8.290 nan 0.000 0.543 759 G N 0.725 109.309 108.800 -0.361 0.000 2.046 759 G HA2 0.354 4.311 3.960 -0.005 0.000 0.180 759 G HA3 0.354 4.311 3.960 -0.005 0.000 0.180 759 G C -1.163 173.458 174.900 -0.464 0.000 1.990 759 G CA -0.811 44.100 45.100 -0.314 0.000 0.997 759 G HN 0.575 nan 8.290 nan 0.000 0.592 760 F N 2.625 122.617 119.950 0.070 0.000 2.949 760 F HA 0.394 4.918 4.527 -0.005 0.000 0.376 760 F C 0.757 176.585 175.800 0.047 0.000 1.205 760 F CA -0.913 57.133 58.000 0.076 0.000 1.155 760 F CB 2.081 41.134 39.000 0.088 0.000 1.495 760 F HN 0.446 nan 8.300 nan 0.000 0.551 761 S N 1.297 117.103 115.700 0.176 0.000 2.455 761 S HA 0.763 5.230 4.470 -0.005 0.000 0.278 761 S C -0.170 174.474 174.600 0.074 0.000 1.216 761 S CA 0.365 58.627 58.200 0.103 0.000 1.055 761 S CB 0.058 63.298 63.200 0.066 0.000 0.939 761 S HN 0.989 nan 8.310 nan 0.000 0.494 762 H N 0.000 119.105 119.070 0.059 0.000 2.539 762 H HA 0.000 4.553 4.556 -0.005 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