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 3ez8_1_A DATA FIRST_RESID 7 DATA SEQUENCE KSIFYNQVGY LISGDKRFWI QAHEPQPFAL RTPEGQAVFA GMTKPVGGNW DATA SEQUENCE YVGDFTALRV PGTYTLTVGT LEARVVIHRR AYRDVLEAML RFFDYQLCGV DATA SEQUENCE VLPEDEAGPW AHGACHTSDA KVFGTERALA CPGGWHDAGD YGKYTVPAAK DATA SEQUENCE AVADLLLAHE YFPAALAHVR PMRSVHRAPH LPPALEVARE EIAWLLTMQD DATA SEQUENCE PATGGVYHKV TTPSFPPLDT RPEDDDAPLV LSPISYAATA TFCAAMAHAA DATA SEQUENCE LVYRPFDPAL SSCCADAARR AYAWLGAHEM QPFHNPDGIL TGEYGDAELR DATA SEQUENCE DELLWASCAL LRMTGDSAWA RVCEPLLDLD LPWELGWADV ALYGVMDYLR DATA SEQUENCE TPRAAVSDDV RNKVKSRLLR ELDALAAMAE SHPFGIPMRD DDFIWGSNMV DATA SEQUENCE LLNRAMAFLL AEGVGVLHPA AHTVAQRAAD YLFGANPLGQ CYVTGFGQRP DATA SEQUENCE VRHPHHRPSV ADDVDHPVPG MVVGGPNRHL QDEIARAQLA GRPAMEAYID DATA SEQUENCE HQDSYSTNEV AVYWNSPAVF VIAALLEA 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 7 K HA 0.000 nan 4.320 nan 0.000 0.191 7 K C 0.000 176.596 176.600 -0.007 0.000 0.988 7 K CA 0.000 56.309 56.287 0.036 0.000 0.838 7 K CB 0.000 32.511 32.500 0.018 0.000 1.064 8 S N 1.303 116.972 115.700 -0.052 0.000 2.543 8 S HA 0.763 5.229 4.470 -0.007 0.000 0.274 8 S C -1.293 173.116 174.600 -0.319 0.000 1.149 8 S CA -0.548 57.515 58.200 -0.228 0.000 0.866 8 S CB 0.681 63.649 63.200 -0.387 0.000 1.111 8 S HN 0.731 nan 8.310 nan 0.000 0.457 9 I N 3.564 124.023 120.570 -0.185 0.000 2.395 9 I HA 0.350 4.516 4.170 -0.007 0.000 0.289 9 I C -0.914 175.241 176.117 0.063 0.000 1.023 9 I CA -0.258 61.060 61.300 0.029 0.000 1.350 9 I CB 0.555 38.562 38.000 0.010 0.000 1.409 9 I HN 0.468 nan 8.210 nan 0.000 0.507 10 F N 7.046 127.373 119.950 0.628 0.000 2.411 10 F HA 0.533 5.057 4.527 -0.005 0.000 0.352 10 F C -0.093 176.194 175.800 0.812 0.000 1.123 10 F CA -0.577 57.775 58.000 0.587 0.000 1.044 10 F CB 0.836 40.144 39.000 0.513 0.000 1.135 10 F HN 0.349 nan 8.300 nan 0.000 0.461 11 Y N 0.123 120.767 120.300 0.573 0.000 2.689 11 Y HA 0.409 4.955 4.550 -0.007 0.000 0.333 11 Y C -1.134 175.015 175.900 0.415 0.000 1.208 11 Y CA -1.717 56.763 58.100 0.633 0.000 1.055 11 Y CB 0.863 39.671 38.460 0.579 0.000 1.304 11 Y HN 0.419 nan 8.280 nan 0.000 0.455 12 N N 1.810 120.789 118.700 0.465 0.000 2.416 12 N HA 0.046 4.782 4.740 -0.007 0.000 0.265 12 N C -0.104 175.426 175.510 0.033 0.000 1.195 12 N CA 0.460 53.575 53.050 0.108 0.000 0.943 12 N CB 1.063 39.478 38.487 -0.120 0.000 1.115 12 N HN 0.894 nan 8.380 nan 0.000 0.481 13 Q N 2.092 121.817 119.800 -0.124 0.000 2.425 13 Q HA 0.046 4.382 4.340 -0.007 0.000 0.204 13 Q C 1.445 177.434 176.000 -0.018 0.000 0.933 13 Q CA 0.369 56.092 55.803 -0.133 0.000 0.939 13 Q CB 0.638 29.206 28.738 -0.283 0.000 1.044 13 Q HN 0.463 nan 8.270 nan 0.000 0.513 14 V N -0.550 119.306 119.914 -0.097 0.000 2.446 14 V HA 0.133 4.249 4.120 -0.007 0.000 0.244 14 V C 1.021 177.095 176.094 -0.033 0.000 1.039 14 V CA 1.411 63.622 62.300 -0.148 0.000 1.045 14 V CB 0.259 31.758 31.823 -0.540 0.000 0.681 14 V HN 0.520 nan 8.190 nan 0.000 0.459 15 G N -1.788 106.992 108.800 -0.034 0.000 2.350 15 G HA2 0.213 4.169 3.960 -0.007 0.000 0.282 15 G HA3 0.213 4.169 3.960 -0.007 0.000 0.282 15 G C -1.998 172.701 174.900 -0.336 0.000 1.314 15 G CA -0.697 44.346 45.100 -0.095 0.000 0.915 15 G HN 0.011 nan 8.290 nan 0.000 0.499 16 Y N -0.840 119.506 120.300 0.077 0.000 2.524 16 Y HA 0.678 5.223 4.550 -0.008 0.000 0.347 16 Y C 0.496 176.345 175.900 -0.086 0.000 1.005 16 Y CA -0.882 57.245 58.100 0.046 0.000 1.025 16 Y CB 2.021 40.538 38.460 0.096 0.000 1.275 16 Y HN 0.512 nan 8.280 nan 0.000 0.460 17 L N 3.467 124.724 121.223 0.056 0.000 2.380 17 L HA 0.227 4.563 4.340 -0.007 0.000 0.273 17 L C 1.345 178.235 176.870 0.035 0.000 1.138 17 L CA -0.004 54.834 54.840 -0.004 0.000 0.832 17 L CB 0.583 42.646 42.059 0.007 0.000 1.124 17 L HN 0.782 nan 8.230 nan 0.000 0.454 18 I N 1.295 121.871 120.570 0.011 0.000 2.145 18 I HA -0.345 3.821 4.170 -0.007 0.000 0.244 18 I C 2.048 178.157 176.117 -0.013 0.000 1.075 18 I CA 2.048 63.350 61.300 0.003 0.000 1.332 18 I CB -0.092 37.897 38.000 -0.019 0.000 1.033 18 I HN 0.859 nan 8.210 nan 0.000 0.410 19 S N -0.378 115.314 115.700 -0.014 0.000 2.597 19 S HA 0.268 4.734 4.470 -0.007 0.000 0.224 19 S C 0.618 175.210 174.600 -0.013 0.000 0.955 19 S CA -0.220 57.970 58.200 -0.018 0.000 0.933 19 S CB -0.212 62.977 63.200 -0.019 0.000 0.788 19 S HN 0.322 nan 8.310 nan 0.000 0.488 20 G N 0.431 109.233 108.800 0.002 0.000 2.461 20 G HA2 0.500 4.456 3.960 -0.007 0.000 0.329 20 G HA3 0.500 4.456 3.960 -0.007 0.000 0.329 20 G C -1.066 173.820 174.900 -0.022 0.000 1.170 20 G CA -0.694 44.423 45.100 0.028 0.000 0.935 20 G HN 0.178 nan 8.290 nan 0.000 0.492 21 D N 0.096 120.491 120.400 -0.009 0.000 2.414 21 D HA 0.227 4.863 4.640 -0.007 0.000 0.242 21 D C 0.041 176.251 176.300 -0.150 0.000 1.129 21 D CA 0.751 54.701 54.000 -0.083 0.000 0.885 21 D CB 1.164 41.948 40.800 -0.027 0.000 1.198 21 D HN 0.191 nan 8.370 nan 0.000 0.437 22 K N 2.550 122.665 120.400 -0.475 0.000 2.579 22 K HA 0.459 4.775 4.320 -0.007 0.000 0.250 22 K C -0.128 175.864 176.600 -1.014 0.000 0.952 22 K CA -0.596 55.035 56.287 -1.094 0.000 0.857 22 K CB 2.388 33.654 32.500 -2.057 0.000 1.123 22 K HN 0.122 nan 8.250 nan 0.000 0.433 23 R N 2.442 122.664 120.500 -0.464 0.000 2.744 23 R HA 0.507 4.843 4.340 -0.007 0.000 0.279 23 R C -1.155 175.194 176.300 0.081 0.000 0.977 23 R CA -0.881 55.022 56.100 -0.329 0.000 0.906 23 R CB 1.498 31.454 30.300 -0.573 0.000 1.197 23 R HN 0.537 nan 8.270 nan 0.000 0.463 24 F N -0.795 119.049 119.950 -0.176 0.000 2.603 24 F HA 0.712 5.236 4.527 -0.004 0.000 0.317 24 F C -1.340 174.411 175.800 -0.081 0.000 1.066 24 F CA -1.117 56.974 58.000 0.151 0.000 0.941 24 F CB 1.454 40.564 39.000 0.184 0.000 1.291 24 F HN 0.319 nan 8.300 nan 0.000 0.472 25 W N 4.155 125.734 121.300 0.465 0.000 2.736 25 W HA 0.717 5.372 4.660 -0.008 0.000 0.335 25 W C -0.942 176.009 176.519 0.720 0.000 1.059 25 W CA -1.015 56.554 57.345 0.373 0.000 1.226 25 W CB 2.316 31.892 29.460 0.194 0.000 1.416 25 W HN 0.705 nan 8.180 nan 0.000 0.505 26 I N -0.739 120.330 120.570 0.830 0.000 2.865 26 I HA 0.428 4.594 4.170 -0.007 0.000 0.302 26 I C -0.832 175.654 176.117 0.615 0.000 1.140 26 I CA -1.405 60.357 61.300 0.770 0.000 1.021 26 I CB 2.161 40.459 38.000 0.496 0.000 1.233 26 I HN 0.271 nan 8.210 nan 0.000 0.427 27 Q N 3.177 123.197 119.800 0.365 0.000 2.314 27 Q HA 0.744 5.080 4.340 -0.007 0.000 0.257 27 Q C -0.454 175.520 176.000 -0.043 0.000 0.975 27 Q CA -0.323 55.447 55.803 -0.055 0.000 0.933 27 Q CB 1.556 30.138 28.738 -0.260 0.000 1.195 27 Q HN 0.830 nan 8.270 nan 0.000 0.426 28 A N 2.023 124.797 122.820 -0.076 0.000 2.581 28 A HA 0.551 4.867 4.320 -0.007 0.000 0.290 28 A C -1.231 176.252 177.584 -0.168 0.000 1.119 28 A CA -0.710 51.208 52.037 -0.198 0.000 0.670 28 A CB 1.135 19.969 19.000 -0.277 0.000 1.280 28 A HN 0.742 nan 8.150 nan 0.000 0.425 29 H N 0.205 119.190 119.070 -0.142 0.000 2.649 29 H HA 0.461 5.013 4.556 -0.006 0.000 0.258 29 H C -0.487 174.805 175.328 -0.061 0.000 1.165 29 H CA 0.636 56.691 56.048 0.012 0.000 1.006 29 H CB 0.750 30.523 29.762 0.017 0.000 1.743 29 H HN 0.745 nan 8.280 nan 0.000 0.609 30 E N 1.150 121.137 120.200 -0.354 0.000 2.400 30 E HA 0.214 4.560 4.350 -0.007 0.000 0.285 30 E C -3.012 173.226 176.600 -0.604 0.000 1.005 30 E CA -1.770 54.478 56.400 -0.253 0.000 0.816 30 E CB 2.520 32.159 29.700 -0.102 0.000 1.220 30 E HN -0.071 nan 8.360 nan 0.000 0.426 31 P HA 0.062 nan 4.420 nan 0.000 0.271 31 P C -1.120 176.160 177.300 -0.034 0.000 1.233 31 P CA -0.008 63.082 63.100 -0.016 0.000 0.789 31 P CB 0.747 32.548 31.700 0.169 0.000 0.951 32 Q N 0.165 119.995 119.800 0.049 0.000 2.518 32 Q HA 0.283 4.619 4.340 -0.007 0.000 0.254 32 Q C -2.955 173.139 176.000 0.158 0.000 0.962 32 Q CA -1.525 54.315 55.803 0.063 0.000 0.982 32 Q CB 2.321 31.076 28.738 0.030 0.000 1.516 32 Q HN 0.259 nan 8.270 nan 0.000 0.426 33 P HA 0.389 nan 4.420 nan 0.000 0.276 33 P C -1.213 176.212 177.300 0.208 0.000 1.244 33 P CA -0.105 63.050 63.100 0.092 0.000 0.801 33 P CB 0.383 32.080 31.700 -0.005 0.000 1.006 34 F N -1.232 118.773 119.950 0.091 0.000 2.613 34 F HA 0.865 5.387 4.527 -0.008 0.000 0.310 34 F C -1.696 174.129 175.800 0.042 0.000 1.085 34 F CA -1.496 56.551 58.000 0.078 0.000 0.945 34 F CB 1.256 40.377 39.000 0.201 0.000 1.298 34 F HN 0.485 nan 8.300 nan 0.000 0.455 35 A N 2.729 125.643 122.820 0.156 0.000 2.449 35 A HA 0.822 5.138 4.320 -0.007 0.000 0.302 35 A C -2.053 175.579 177.584 0.080 0.000 1.048 35 A CA -0.779 51.296 52.037 0.062 0.000 0.708 35 A CB 1.595 20.587 19.000 -0.013 0.000 1.274 35 A HN 0.812 nan 8.150 nan 0.000 0.410 36 L N 1.701 122.972 121.223 0.079 0.000 2.317 36 L HA 0.701 5.037 4.340 -0.007 0.000 0.281 36 L C 0.351 177.261 176.870 0.066 0.000 1.024 36 L CA 0.054 54.882 54.840 -0.020 0.000 0.810 36 L CB 1.747 43.686 42.059 -0.200 0.000 1.240 36 L HN 0.823 nan 8.230 nan 0.000 0.427 37 R N 0.576 121.152 120.500 0.126 0.000 2.795 37 R HA 0.654 4.990 4.340 -0.007 0.000 0.275 37 R C -0.790 175.646 176.300 0.226 0.000 0.981 37 R CA -0.932 55.261 56.100 0.155 0.000 0.917 37 R CB 1.897 32.232 30.300 0.059 0.000 1.202 37 R HN 0.514 nan 8.270 nan 0.000 0.469 38 T N 2.238 116.882 114.554 0.150 0.000 2.900 38 T HA 0.043 4.389 4.350 -0.007 0.000 0.307 38 T C -1.759 172.928 174.700 -0.021 0.000 1.065 38 T CA -1.157 60.947 62.100 0.006 0.000 1.105 38 T CB 0.528 69.400 68.868 0.006 0.000 0.979 38 T HN 0.315 nan 8.240 nan 0.000 0.544 39 P HA -0.162 nan 4.420 nan 0.000 0.219 39 P C 1.155 178.439 177.300 -0.027 0.000 1.144 39 P CA 1.008 64.080 63.100 -0.047 0.000 0.806 39 P CB 0.061 31.725 31.700 -0.060 0.000 0.771 40 E N -1.759 118.429 120.200 -0.020 0.000 2.442 40 E HA 0.182 4.528 4.350 -0.007 0.000 0.195 40 E C 1.453 178.050 176.600 -0.005 0.000 1.030 40 E CA 0.827 57.220 56.400 -0.012 0.000 0.869 40 E CB -1.041 28.653 29.700 -0.010 0.000 0.857 40 E HN 0.219 nan 8.360 nan 0.000 0.505 41 G N -0.036 108.765 108.800 0.001 0.000 2.205 41 G HA2 -0.257 3.699 3.960 -0.007 0.000 0.180 41 G HA3 -0.257 3.699 3.960 -0.007 0.000 0.180 41 G C -0.052 174.857 174.900 0.014 0.000 1.004 41 G CA -0.134 44.968 45.100 0.004 0.000 0.670 41 G HN 0.294 nan 8.290 nan 0.000 0.496 42 Q N 1.502 121.316 119.800 0.023 0.000 2.293 42 Q HA 0.692 5.028 4.340 -0.007 0.000 0.263 42 Q C 0.647 176.676 176.000 0.047 0.000 1.002 42 Q CA 0.676 56.496 55.803 0.028 0.000 0.910 42 Q CB 0.896 29.652 28.738 0.029 0.000 1.185 42 Q HN 1.089 nan 8.270 nan 0.000 0.401 43 A N 3.822 126.660 122.820 0.029 0.000 2.520 43 A HA 0.237 4.553 4.320 -0.007 0.000 0.245 43 A C 0.306 177.920 177.584 0.049 0.000 1.072 43 A CA -0.147 51.908 52.037 0.030 0.000 0.761 43 A CB 0.380 19.375 19.000 -0.008 0.000 1.004 43 A HN 0.759 nan 8.150 nan 0.000 0.499 44 V N 1.942 121.906 119.914 0.083 0.000 3.484 44 V HA 0.252 4.367 4.120 -0.007 0.000 0.252 44 V C 0.044 176.214 176.094 0.127 0.000 1.282 44 V CA 0.586 62.948 62.300 0.104 0.000 1.104 44 V CB -0.457 31.461 31.823 0.159 0.000 0.868 44 V HN 0.756 nan 8.190 nan 0.000 0.457 45 F N 0.522 120.431 119.950 -0.069 0.000 2.591 45 F HA 0.800 5.323 4.527 -0.008 0.000 0.309 45 F C -0.608 175.118 175.800 -0.124 0.000 1.098 45 F CA -0.671 57.283 58.000 -0.077 0.000 0.937 45 F CB 1.629 40.596 39.000 -0.055 0.000 1.250 45 F HN -0.074 nan 8.300 nan 0.000 0.447 46 A N 3.285 125.644 122.820 -0.768 0.000 2.422 46 A HA 0.918 5.234 4.320 -0.007 0.000 0.302 46 A C -0.879 176.128 177.584 -0.961 0.000 1.041 46 A CA -0.070 51.567 52.037 -0.667 0.000 0.708 46 A CB 1.377 20.130 19.000 -0.412 0.000 1.257 46 A HN 1.367 nan 8.150 nan 0.000 0.414 47 G N 0.735 108.885 108.800 -1.083 0.000 2.721 47 G HA2 0.602 4.558 3.960 -0.007 0.000 0.296 47 G HA3 0.602 4.558 3.960 -0.007 0.000 0.296 47 G C -1.309 173.183 174.900 -0.680 0.000 1.383 47 G CA -0.635 43.962 45.100 -0.839 0.000 0.788 47 G HN 0.519 nan 8.290 nan 0.000 0.500 48 M N 1.393 120.937 119.600 -0.094 0.000 2.528 48 M HA 0.404 4.879 4.480 -0.007 0.000 0.321 48 M C 0.526 177.073 176.300 0.411 0.000 1.153 48 M CA -0.639 54.755 55.300 0.157 0.000 0.951 48 M CB 1.551 34.198 32.600 0.078 0.000 1.705 48 M HN 0.781 nan 8.290 nan 0.000 0.451 49 T N 0.564 115.365 114.554 0.412 0.000 2.899 49 T HA 0.520 4.866 4.350 -0.007 0.000 0.295 49 T C -0.224 174.655 174.700 0.298 0.000 1.033 49 T CA -0.599 61.686 62.100 0.309 0.000 1.084 49 T CB 1.002 70.047 68.868 0.295 0.000 0.979 49 T HN 0.575 nan 8.240 nan 0.000 0.532 50 K N 2.219 122.725 120.400 0.178 0.000 2.371 50 K HA 0.514 4.830 4.320 -0.007 0.000 0.251 50 K C -2.983 173.451 176.600 -0.276 0.000 0.934 50 K CA -2.361 53.949 56.287 0.038 0.000 0.798 50 K CB 2.057 34.539 32.500 -0.030 0.000 1.204 50 K HN 0.364 nan 8.250 nan 0.000 0.427 51 P HA -0.003 nan 4.420 nan 0.000 0.276 51 P C 0.248 177.298 177.300 -0.417 0.000 1.230 51 P CA -0.434 62.074 63.100 -0.986 0.000 0.776 51 P CB 0.829 32.110 31.700 -0.699 0.000 0.888 52 V N -0.411 119.317 119.914 -0.311 0.000 3.432 52 V HA 0.540 4.655 4.120 -0.007 0.000 0.298 52 V C 0.637 176.707 176.094 -0.040 0.000 1.464 52 V CA 0.223 62.451 62.300 -0.119 0.000 1.046 52 V CB -0.731 31.056 31.823 -0.061 0.000 0.887 52 V HN 0.833 nan 8.190 nan 0.000 0.441 53 G N 0.023 108.793 108.800 -0.050 0.000 2.778 53 G HA2 0.159 4.114 3.960 -0.007 0.000 0.686 53 G HA3 0.159 4.114 3.960 -0.007 0.000 0.686 53 G C 0.593 175.569 174.900 0.126 0.000 1.309 53 G CA -0.086 45.028 45.100 0.023 0.000 0.904 53 G HN 1.083 nan 8.290 nan 0.000 0.593 54 G N 0.489 109.348 108.800 0.099 0.000 2.556 54 G HA2 0.047 4.003 3.960 -0.007 0.000 0.209 54 G HA3 0.047 4.003 3.960 -0.007 0.000 0.209 54 G C 1.416 176.380 174.900 0.106 0.000 1.159 54 G CA 1.080 46.222 45.100 0.070 0.000 0.828 54 G HN 0.706 nan 8.290 nan 0.000 0.553 55 N N 0.283 118.946 118.700 -0.062 0.000 2.381 55 N HA -0.032 4.704 4.740 -0.007 0.000 0.182 55 N C 0.000 175.359 175.510 -0.251 0.000 1.025 55 N CA 0.363 53.252 53.050 -0.269 0.000 0.888 55 N CB -0.091 38.006 38.487 -0.650 0.000 0.965 55 N HN 0.453 nan 8.380 nan 0.000 0.438 56 W N 0.334 121.697 121.300 0.104 0.000 2.351 56 W HA 0.369 5.024 4.660 -0.008 0.000 0.311 56 W C -0.206 176.362 176.519 0.082 0.000 1.168 56 W CA -0.695 56.706 57.345 0.092 0.000 1.200 56 W CB 0.428 29.854 29.460 -0.057 0.000 1.221 56 W HN -0.146 nan 8.180 nan 0.000 0.519 57 Y N 1.175 121.641 120.300 0.277 0.000 2.562 57 Y HA 0.663 5.209 4.550 -0.007 0.000 0.343 57 Y C -0.261 175.593 175.900 -0.076 0.000 1.025 57 Y CA -1.313 56.843 58.100 0.093 0.000 1.082 57 Y CB 1.816 40.325 38.460 0.081 0.000 1.264 57 Y HN 0.009 nan 8.280 nan 0.000 0.478 58 V N 1.371 121.183 119.914 -0.169 0.000 2.588 58 V HA 0.715 4.831 4.120 -0.007 0.000 0.304 58 V C -0.261 175.422 176.094 -0.685 0.000 1.042 58 V CA -0.829 61.108 62.300 -0.606 0.000 0.877 58 V CB 1.934 33.374 31.823 -0.638 0.000 0.996 58 V HN 0.888 nan 8.190 nan 0.000 0.425 59 G N 1.962 109.915 108.800 -1.413 0.000 2.422 59 G HA2 0.507 4.463 3.960 -0.007 0.000 0.317 59 G HA3 0.507 4.463 3.960 -0.007 0.000 0.317 59 G C -1.146 173.314 174.900 -0.734 0.000 1.210 59 G CA -0.237 44.020 45.100 -1.405 0.000 0.930 59 G HN 0.575 nan 8.290 nan 0.000 0.468 60 D N 2.171 122.502 120.400 -0.115 0.000 2.274 60 D HA 0.335 4.971 4.640 -0.007 0.000 0.239 60 D C -0.074 176.398 176.300 0.286 0.000 1.104 60 D CA -0.695 53.299 54.000 -0.009 0.000 0.840 60 D CB 1.100 41.892 40.800 -0.013 0.000 1.100 60 D HN 0.277 nan 8.370 nan 0.000 0.477 61 F N 1.077 120.918 119.950 -0.183 0.000 2.810 61 F HA 0.312 4.836 4.527 -0.006 0.000 0.353 61 F C 1.196 176.647 175.800 -0.581 0.000 1.227 61 F CA -0.683 56.956 58.000 -0.601 0.000 1.210 61 F CB -0.222 38.403 39.000 -0.625 0.000 1.039 61 F HN 0.060 nan 8.300 nan 0.000 0.509 62 T N 0.405 114.661 114.554 -0.495 0.000 2.759 62 T HA -0.211 4.135 4.350 -0.007 0.000 0.269 62 T C 2.233 176.788 174.700 -0.241 0.000 1.042 62 T CA 1.993 63.870 62.100 -0.372 0.000 1.140 62 T CB -0.288 68.454 68.868 -0.209 0.000 0.864 62 T HN 0.547 nan 8.240 nan 0.000 0.455 63 A N 0.760 123.485 122.820 -0.159 0.000 2.125 63 A HA 0.086 4.402 4.320 -0.007 0.000 0.219 63 A C 1.152 178.716 177.584 -0.033 0.000 1.156 63 A CA 0.430 52.463 52.037 -0.007 0.000 0.671 63 A CB -0.578 18.558 19.000 0.226 0.000 0.794 63 A HN 0.413 nan 8.150 nan 0.000 0.459 64 L N 1.030 122.126 121.223 -0.213 0.000 2.515 64 L HA 0.198 4.534 4.340 -0.007 0.000 0.281 64 L C 0.836 177.654 176.870 -0.086 0.000 1.131 64 L CA 0.138 54.889 54.840 -0.148 0.000 0.905 64 L CB 0.008 41.887 42.059 -0.300 0.000 1.246 64 L HN 0.130 nan 8.230 nan 0.000 0.463 65 R N 3.393 123.883 120.500 -0.016 0.000 2.362 65 R HA 0.254 4.590 4.340 -0.007 0.000 0.227 65 R C -0.276 176.049 176.300 0.042 0.000 0.905 65 R CA -0.018 56.084 56.100 0.004 0.000 1.067 65 R CB -0.099 30.206 30.300 0.008 0.000 1.078 65 R HN 0.409 nan 8.270 nan 0.000 0.516 66 V N 5.422 125.383 119.914 0.080 0.000 2.455 66 V HA 0.164 4.280 4.120 -0.007 0.000 0.273 66 V C -1.866 174.365 176.094 0.229 0.000 1.045 66 V CA -1.640 60.745 62.300 0.143 0.000 0.976 66 V CB 1.199 33.135 31.823 0.190 0.000 0.993 66 V HN 0.022 nan 8.190 nan 0.000 0.475 67 P HA 0.455 nan 4.420 nan 0.000 0.269 67 P C 0.151 177.532 177.300 0.136 0.000 1.209 67 P CA 0.524 63.703 63.100 0.132 0.000 0.776 67 P CB 1.163 32.863 31.700 -0.000 0.000 0.876 68 G N 0.511 109.378 108.800 0.113 0.000 2.359 68 G HA2 0.150 4.106 3.960 -0.007 0.000 0.314 68 G HA3 0.150 4.106 3.960 -0.007 0.000 0.314 68 G C -1.386 173.393 174.900 -0.202 0.000 1.364 68 G CA -0.779 44.248 45.100 -0.121 0.000 0.978 68 G HN 0.479 nan 8.290 nan 0.000 0.615 69 T N 1.111 115.487 114.554 -0.297 0.000 2.771 69 T HA 0.618 4.964 4.350 -0.007 0.000 0.291 69 T C -0.900 173.569 174.700 -0.384 0.000 0.954 69 T CA 0.334 62.322 62.100 -0.187 0.000 1.045 69 T CB 0.536 69.350 68.868 -0.090 0.000 0.917 69 T HN 0.395 nan 8.240 nan 0.000 0.484 70 Y N 0.732 121.036 120.300 0.007 0.000 2.485 70 Y HA 0.436 4.986 4.550 -0.001 0.000 0.345 70 Y C 0.824 176.671 175.900 -0.088 0.000 0.998 70 Y CA -1.139 56.938 58.100 -0.039 0.000 1.059 70 Y CB 1.676 40.102 38.460 -0.057 0.000 1.234 70 Y HN 0.443 nan 8.280 nan 0.000 0.461 71 T N 4.207 118.799 114.554 0.063 0.000 2.738 71 T HA 0.317 4.663 4.350 -0.007 0.000 0.298 71 T C -0.812 173.829 174.700 -0.098 0.000 0.962 71 T CA -0.466 61.610 62.100 -0.040 0.000 0.972 71 T CB 0.154 69.001 68.868 -0.035 0.000 0.928 71 T HN 0.355 nan 8.240 nan 0.000 0.474 72 L N 5.165 126.256 121.223 -0.220 0.000 2.281 72 L HA 0.578 4.914 4.340 -0.007 0.000 0.285 72 L C 0.292 176.989 176.870 -0.289 0.000 1.074 72 L CA 0.088 54.722 54.840 -0.342 0.000 0.817 72 L CB 0.572 42.269 42.059 -0.605 0.000 1.168 72 L HN 0.713 nan 8.230 nan 0.000 0.434 73 T N 2.669 117.107 114.554 -0.193 0.000 2.824 73 T HA 0.683 5.029 4.350 -0.007 0.000 0.282 73 T C -0.832 173.829 174.700 -0.064 0.000 0.993 73 T CA -0.767 61.259 62.100 -0.123 0.000 0.967 73 T CB 1.474 70.307 68.868 -0.058 0.000 0.960 73 T HN 0.618 nan 8.240 nan 0.000 0.441 74 V N 3.670 123.549 119.914 -0.059 0.000 2.668 74 V HA 0.677 4.793 4.120 -0.007 0.000 0.304 74 V C 0.829 176.947 176.094 0.039 0.000 1.071 74 V CA 1.004 63.334 62.300 0.051 0.000 0.894 74 V CB 0.880 32.771 31.823 0.113 0.000 1.008 74 V HN 1.688 nan 8.190 nan 0.000 0.425 75 G N 5.638 114.467 108.800 0.049 0.000 2.675 75 G HA2 -0.351 3.605 3.960 -0.007 0.000 0.312 75 G HA3 -0.351 3.605 3.960 -0.007 0.000 0.312 75 G C 0.863 175.767 174.900 0.006 0.000 1.186 75 G CA 1.295 46.410 45.100 0.024 0.000 0.965 75 G HN 2.053 nan 8.290 nan 0.000 0.548 76 T N -0.937 113.617 114.554 -0.001 0.000 3.145 76 T HA 0.671 5.017 4.350 -0.007 0.000 0.281 76 T C 0.630 175.318 174.700 -0.020 0.000 1.003 76 T CA 0.278 62.372 62.100 -0.010 0.000 0.901 76 T CB 0.060 68.923 68.868 -0.008 0.000 1.112 76 T HN 0.585 nan 8.240 nan 0.000 0.535 77 L N 1.311 122.519 121.223 -0.026 0.000 2.334 77 L HA 0.662 4.998 4.340 -0.007 0.000 0.275 77 L C 0.062 176.884 176.870 -0.079 0.000 1.036 77 L CA -0.830 53.983 54.840 -0.045 0.000 0.807 77 L CB 1.517 43.554 42.059 -0.037 0.000 1.231 77 L HN 0.168 nan 8.230 nan 0.000 0.438 78 E N 1.306 121.454 120.200 -0.087 0.000 2.288 78 E HA 0.801 5.147 4.350 -0.007 0.000 0.268 78 E C -1.205 175.306 176.600 -0.148 0.000 0.885 78 E CA -0.848 55.483 56.400 -0.116 0.000 0.767 78 E CB 2.732 32.384 29.700 -0.079 0.000 1.220 78 E HN 0.659 nan 8.360 nan 0.000 0.427 79 A N 0.981 123.667 122.820 -0.223 0.000 2.549 79 A HA 0.773 5.089 4.320 -0.007 0.000 0.297 79 A C -0.739 176.675 177.584 -0.283 0.000 1.061 79 A CA -0.630 51.220 52.037 -0.313 0.000 0.690 79 A CB 1.479 20.106 19.000 -0.621 0.000 1.287 79 A HN 0.574 nan 8.150 nan 0.000 0.402 80 R N 0.641 121.024 120.500 -0.195 0.000 2.202 80 R HA 0.646 4.982 4.340 -0.007 0.000 0.334 80 R C -0.861 175.415 176.300 -0.040 0.000 1.036 80 R CA -0.229 55.828 56.100 -0.072 0.000 0.878 80 R CB 0.396 30.710 30.300 0.023 0.000 1.067 80 R HN 1.154 nan 8.270 nan 0.000 0.457 81 V N 3.134 123.059 119.914 0.017 0.000 2.495 81 V HA 0.523 4.638 4.120 -0.007 0.000 0.298 81 V C -0.319 175.954 176.094 0.299 0.000 1.031 81 V CA -0.948 61.467 62.300 0.191 0.000 0.871 81 V CB 2.068 33.948 31.823 0.096 0.000 0.988 81 V HN 0.653 nan 8.190 nan 0.000 0.432 82 V N 6.493 126.625 119.914 0.363 0.000 2.417 82 V HA 0.538 4.654 4.120 -0.007 0.000 0.291 82 V C -0.248 176.079 176.094 0.388 0.000 1.024 82 V CA -0.389 62.087 62.300 0.293 0.000 0.861 82 V CB 1.658 33.579 31.823 0.164 0.000 0.985 82 V HN 0.671 nan 8.190 nan 0.000 0.436 83 I N 5.074 125.869 120.570 0.375 0.000 2.406 83 I HA 0.563 4.729 4.170 -0.007 0.000 0.290 83 I C -0.549 175.723 176.117 0.259 0.000 0.999 83 I CA -0.330 61.172 61.300 0.336 0.000 1.124 83 I CB 1.415 39.632 38.000 0.362 0.000 1.289 83 I HN 0.644 nan 8.210 nan 0.000 0.441 84 H N 6.357 125.459 119.070 0.052 0.000 3.086 84 H HA 0.249 4.800 4.556 -0.008 0.000 0.353 84 H C 0.110 175.408 175.328 -0.049 0.000 1.134 84 H CA -0.687 55.358 56.048 -0.004 0.000 1.248 84 H CB 2.212 31.953 29.762 -0.034 0.000 1.878 84 H HN 0.757 nan 8.280 nan 0.000 0.527 85 R N 2.661 122.983 120.500 -0.298 0.000 2.249 85 R HA -0.068 4.268 4.340 -0.007 0.000 0.230 85 R C 0.590 176.865 176.300 -0.042 0.000 1.121 85 R CA 1.255 57.263 56.100 -0.154 0.000 0.997 85 R CB 0.304 30.485 30.300 -0.199 0.000 0.867 85 R HN 0.330 nan 8.270 nan 0.000 0.465 86 R N -0.120 120.484 120.500 0.174 0.000 2.647 86 R HA 0.264 4.600 4.340 -0.007 0.000 0.295 86 R C 0.488 176.832 176.300 0.074 0.000 1.267 86 R CA 0.220 56.398 56.100 0.130 0.000 1.386 86 R CB 0.603 30.979 30.300 0.127 0.000 1.309 86 R HN 0.218 nan 8.270 nan 0.000 0.692 87 A N 0.280 123.020 122.820 -0.132 0.000 1.978 87 A HA -0.160 4.156 4.320 -0.007 0.000 0.220 87 A C 0.611 177.957 177.584 -0.397 0.000 1.170 87 A CA 1.232 53.036 52.037 -0.388 0.000 0.636 87 A CB -0.236 18.356 19.000 -0.681 0.000 0.810 87 A HN 0.524 nan 8.150 nan 0.000 0.448 88 Y N -1.213 119.063 120.300 -0.039 0.000 2.571 88 Y HA 0.280 4.827 4.550 -0.006 0.000 0.275 88 Y C 1.862 177.711 175.900 -0.085 0.000 1.179 88 Y CA -0.603 57.446 58.100 -0.085 0.000 1.242 88 Y CB -0.372 38.077 38.460 -0.018 0.000 1.126 88 Y HN 0.268 nan 8.280 nan 0.000 0.524 89 R N 0.791 121.310 120.500 0.031 0.000 2.070 89 R HA -0.157 4.179 4.340 -0.007 0.000 0.233 89 R C 1.000 177.325 176.300 0.042 0.000 1.137 89 R CA 2.122 58.241 56.100 0.033 0.000 0.945 89 R CB -0.056 30.254 30.300 0.017 0.000 0.845 89 R HN 0.280 nan 8.270 nan 0.000 0.430 90 D N 0.023 120.447 120.400 0.040 0.000 2.097 90 D HA -0.146 4.490 4.640 -0.007 0.000 0.195 90 D C 1.791 178.133 176.300 0.070 0.000 0.989 90 D CA 0.952 55.026 54.000 0.122 0.000 0.827 90 D CB -0.354 40.568 40.800 0.203 0.000 0.966 90 D HN 0.084 nan 8.370 nan 0.000 0.456 91 V N 0.637 120.398 119.914 -0.254 0.000 2.626 91 V HA -0.146 3.970 4.120 -0.007 0.000 0.252 91 V C 2.142 178.052 176.094 -0.306 0.000 1.067 91 V CA 0.901 62.708 62.300 -0.823 0.000 1.081 91 V CB -0.125 31.017 31.823 -1.136 0.000 0.686 91 V HN 0.065 nan 8.190 nan 0.000 0.468 92 L N 0.432 121.603 121.223 -0.087 0.000 2.044 92 L HA -0.083 4.253 4.340 -0.007 0.000 0.205 92 L C 2.392 179.301 176.870 0.065 0.000 1.075 92 L CA 2.566 57.415 54.840 0.015 0.000 0.747 92 L CB -0.810 41.282 42.059 0.054 0.000 0.903 92 L HN 0.519 nan 8.230 nan 0.000 0.435 93 E N -0.462 119.786 120.200 0.080 0.000 2.058 93 E HA -0.265 4.081 4.350 -0.007 0.000 0.194 93 E C 2.060 178.750 176.600 0.150 0.000 0.997 93 E CA 1.439 57.910 56.400 0.119 0.000 0.801 93 E CB -0.217 29.557 29.700 0.124 0.000 0.746 93 E HN 0.577 nan 8.360 nan 0.000 0.450 94 A N 0.529 123.440 122.820 0.151 0.000 1.930 94 A HA -0.146 4.170 4.320 -0.007 0.000 0.217 94 A C 2.191 179.868 177.584 0.157 0.000 1.175 94 A CA 1.517 53.675 52.037 0.201 0.000 0.627 94 A CB -0.466 18.733 19.000 0.331 0.000 0.815 94 A HN 0.336 nan 8.150 nan 0.000 0.443 95 M N -1.430 118.218 119.600 0.080 0.000 2.159 95 M HA -0.094 4.382 4.480 -0.007 0.000 0.263 95 M C 2.108 178.566 176.300 0.264 0.000 1.063 95 M CA 1.287 56.643 55.300 0.093 0.000 1.110 95 M CB -0.219 32.417 32.600 0.060 0.000 1.374 95 M HN 0.465 nan 8.290 nan 0.000 0.411 96 L N -0.066 121.328 121.223 0.286 0.000 2.095 96 L HA -0.051 4.285 4.340 -0.007 0.000 0.204 96 L C 2.274 179.374 176.870 0.383 0.000 1.080 96 L CA 1.673 56.743 54.840 0.384 0.000 0.759 96 L CB -0.347 41.842 42.059 0.217 0.000 0.914 96 L HN 0.092 nan 8.230 nan 0.000 0.439 97 R N -1.475 119.189 120.500 0.273 0.000 2.193 97 R HA -0.181 4.155 4.340 -0.007 0.000 0.229 97 R C 2.107 178.578 176.300 0.285 0.000 1.110 97 R CA 1.370 57.609 56.100 0.233 0.000 0.988 97 R CB -0.503 29.929 30.300 0.220 0.000 0.871 97 R HN 0.388 nan 8.270 nan 0.000 0.458 98 F N 0.698 120.721 119.950 0.121 0.000 2.126 98 F HA -0.213 4.310 4.527 -0.007 0.000 0.299 98 F C 1.391 177.086 175.800 -0.175 0.000 1.096 98 F CA 1.388 59.367 58.000 -0.036 0.000 1.255 98 F CB -0.342 38.478 39.000 -0.300 0.000 0.997 98 F HN -0.133 nan 8.300 nan 0.000 0.479 99 F N 0.917 120.602 119.950 -0.442 0.000 2.161 99 F HA -0.198 4.325 4.527 -0.007 0.000 0.300 99 F C 2.282 177.758 175.800 -0.541 0.000 1.089 99 F CA 1.606 59.056 58.000 -0.918 0.000 1.282 99 F CB -0.849 37.553 39.000 -0.996 0.000 1.010 99 F HN -0.022 nan 8.300 nan 0.000 0.485 100 D N -1.305 119.095 120.400 -0.000 0.000 2.183 100 D HA -0.150 4.486 4.640 -0.007 0.000 0.203 100 D C 1.965 178.224 176.300 -0.068 0.000 0.969 100 D CA 1.088 55.110 54.000 0.038 0.000 0.842 100 D CB -0.477 40.350 40.800 0.046 0.000 0.957 100 D HN 0.260 nan 8.370 nan 0.000 0.484 101 Y N 1.028 121.284 120.300 -0.074 0.000 2.421 101 Y HA -0.059 4.487 4.550 -0.007 0.000 0.292 101 Y C 2.189 178.093 175.900 0.006 0.000 1.136 101 Y CA 0.822 58.910 58.100 -0.020 0.000 1.255 101 Y CB 0.108 38.559 38.460 -0.016 0.000 0.991 101 Y HN -0.056 nan 8.280 nan 0.000 0.552 102 Q N -0.025 119.734 119.800 -0.067 0.000 2.403 102 Q HA 0.094 4.430 4.340 -0.007 0.000 0.203 102 Q C 0.272 176.283 176.000 0.018 0.000 0.932 102 Q CA 0.171 55.955 55.803 -0.031 0.000 0.945 102 Q CB -0.017 28.470 28.738 -0.418 0.000 1.045 102 Q HN 0.424 nan 8.270 nan 0.000 0.511 103 L N 0.743 122.015 121.223 0.083 0.000 2.540 103 L HA -0.052 4.284 4.340 -0.007 0.000 0.276 103 L C 0.321 177.118 176.870 -0.121 0.000 1.212 103 L CA -0.074 54.805 54.840 0.064 0.000 0.893 103 L CB 0.292 42.401 42.059 0.084 0.000 1.138 103 L HN 0.112 nan 8.230 nan 0.000 0.491 104 C N 3.368 122.507 119.300 -0.267 0.000 2.376 104 C HA 0.697 5.153 4.460 -0.007 0.000 0.335 104 C C 1.225 176.176 174.990 -0.065 0.000 1.229 104 C CA 0.245 59.100 59.018 -0.271 0.000 1.867 104 C CB 0.276 27.729 27.740 -0.479 0.000 2.319 104 C HN 1.080 nan 8.230 nan 0.000 0.515 105 G N 3.380 112.205 108.800 0.042 0.000 2.160 105 G HA2 -0.111 3.845 3.960 -0.007 0.000 0.251 105 G HA3 -0.111 3.845 3.960 -0.007 0.000 0.251 105 G C -0.215 174.701 174.900 0.027 0.000 1.008 105 G CA 0.611 45.735 45.100 0.040 0.000 0.724 105 G HN 1.750 nan 8.290 nan 0.000 0.514 106 V N -0.486 119.450 119.914 0.036 0.000 2.851 106 V HA 0.673 4.789 4.120 -0.007 0.000 0.307 106 V C 0.311 176.399 176.094 -0.010 0.000 1.129 106 V CA -0.326 61.975 62.300 0.003 0.000 0.932 106 V CB 2.077 33.885 31.823 -0.026 0.000 1.024 106 V HN 1.060 nan 8.190 nan 0.000 0.426 107 V N 8.166 128.065 119.914 -0.025 0.000 2.485 107 V HA 0.345 4.461 4.120 -0.007 0.000 0.287 107 V C -0.089 175.937 176.094 -0.114 0.000 1.022 107 V CA 0.326 62.598 62.300 -0.048 0.000 1.067 107 V CB 0.656 32.465 31.823 -0.023 0.000 0.967 107 V HN 0.713 nan 8.190 nan 0.000 0.479 108 L N 9.879 130.981 121.223 -0.202 0.000 2.264 108 L HA 0.446 4.782 4.340 -0.007 0.000 0.287 108 L C -2.173 174.624 176.870 -0.122 0.000 1.039 108 L CA -1.767 52.947 54.840 -0.211 0.000 0.829 108 L CB 1.251 43.108 42.059 -0.336 0.000 1.211 108 L HN 0.516 nan 8.230 nan 0.000 0.427 109 P HA 0.041 nan 4.420 nan 0.000 0.274 109 P C 0.481 177.770 177.300 -0.018 0.000 1.237 109 P CA -0.401 62.675 63.100 -0.040 0.000 0.793 109 P CB 0.937 32.616 31.700 -0.034 0.000 0.977 110 E N 1.282 121.482 120.200 -0.000 0.000 2.153 110 E HA -0.225 4.121 4.350 -0.007 0.000 0.194 110 E C 0.868 177.480 176.600 0.021 0.000 0.988 110 E CA 1.306 57.715 56.400 0.016 0.000 0.811 110 E CB -0.058 29.645 29.700 0.005 0.000 0.746 110 E HN 0.501 nan 8.360 nan 0.000 0.466 111 D N 0.007 120.413 120.400 0.009 0.000 2.269 111 D HA -0.168 4.468 4.640 -0.007 0.000 0.208 111 D C 1.495 177.805 176.300 0.016 0.000 0.963 111 D CA 0.776 54.783 54.000 0.012 0.000 0.864 111 D CB -0.127 40.676 40.800 0.006 0.000 0.936 111 D HN 0.123 nan 8.370 nan 0.000 0.505 112 E N 0.383 120.582 120.200 -0.001 0.000 2.079 112 E HA 0.199 4.545 4.350 -0.007 0.000 0.191 112 E C 1.965 178.566 176.600 0.001 0.000 0.961 112 E CA 1.136 57.524 56.400 -0.020 0.000 0.823 112 E CB -0.248 29.407 29.700 -0.075 0.000 0.789 112 E HN 0.374 nan 8.360 nan 0.000 0.459 113 A N 0.557 123.389 122.820 0.019 0.000 2.238 113 A HA 0.395 4.711 4.320 -0.007 0.000 0.210 113 A C 1.372 179.209 177.584 0.421 0.000 1.179 113 A CA 1.117 53.239 52.037 0.141 0.000 0.827 113 A CB -0.271 18.781 19.000 0.086 0.000 0.856 113 A HN 0.265 nan 8.150 nan 0.000 0.488 114 G N 0.127 109.057 108.800 0.217 0.000 2.583 114 G HA2 -0.322 3.633 3.960 -0.007 0.000 0.292 114 G HA3 -0.322 3.633 3.960 -0.007 0.000 0.292 114 G C -0.996 173.889 174.900 -0.025 0.000 1.203 114 G CA 0.416 45.584 45.100 0.115 0.000 0.987 114 G HN 0.261 nan 8.290 nan 0.000 0.554 115 P HA 0.039 nan 4.420 nan 0.000 0.222 115 P C 1.022 178.061 177.300 -0.437 0.000 1.147 115 P CA 1.772 64.522 63.100 -0.583 0.000 0.790 115 P CB -0.013 31.006 31.700 -1.135 0.000 0.780 116 W N -0.474 120.936 121.300 0.184 0.000 3.305 116 W HA 0.545 5.200 4.660 -0.008 0.000 0.392 116 W C 0.241 176.934 176.519 0.289 0.000 1.121 116 W CA -0.882 56.608 57.345 0.241 0.000 1.909 116 W CB -0.591 28.996 29.460 0.212 0.000 1.065 116 W HN -0.110 nan 8.180 nan 0.000 0.714 117 A N 1.735 124.737 122.820 0.303 0.000 2.425 117 A HA 0.404 4.720 4.320 -0.007 0.000 0.249 117 A C -0.250 177.438 177.584 0.173 0.000 1.084 117 A CA 0.552 52.683 52.037 0.157 0.000 0.781 117 A CB 0.032 19.078 19.000 0.076 0.000 1.019 117 A HN 0.536 nan 8.150 nan 0.000 0.490 118 H N -1.072 118.071 119.070 0.121 0.000 2.990 118 H HA 0.691 5.243 4.556 -0.007 0.000 0.336 118 H C -0.016 175.342 175.328 0.050 0.000 1.306 118 H CA -0.306 55.792 56.048 0.083 0.000 1.118 118 H CB 0.455 30.279 29.762 0.103 0.000 1.856 118 H HN 0.820 nan 8.280 nan 0.000 0.538 119 G N -0.464 108.514 108.800 0.297 0.000 2.562 119 G HA2 0.491 4.447 3.960 -0.007 0.000 0.275 119 G HA3 0.491 4.447 3.960 -0.007 0.000 0.275 119 G C -0.272 174.782 174.900 0.256 0.000 1.196 119 G CA -0.526 44.682 45.100 0.181 0.000 0.908 119 G HN 0.961 nan 8.290 nan 0.000 0.524 120 A N -0.500 122.391 122.820 0.119 0.000 2.515 120 A HA 0.408 4.724 4.320 -0.007 0.000 0.263 120 A C 0.939 178.559 177.584 0.061 0.000 1.096 120 A CA 0.129 52.224 52.037 0.098 0.000 0.769 120 A CB -1.224 17.802 19.000 0.043 0.000 1.040 120 A HN 1.447 nan 8.150 nan 0.000 0.505 121 C N 1.332 120.681 119.300 0.081 0.000 2.358 121 C HA 0.790 5.246 4.460 -0.007 0.000 0.354 121 C C 0.412 175.427 174.990 0.042 0.000 1.183 121 C CA -0.691 58.298 59.018 -0.047 0.000 2.150 121 C CB -0.163 27.507 27.740 -0.116 0.000 2.361 121 C HN 1.059 nan 8.230 nan 0.000 0.535 122 H N 0.029 119.065 119.070 -0.057 0.000 2.677 122 H HA -0.140 4.412 4.556 -0.007 0.000 0.321 122 H C 1.108 176.422 175.328 -0.023 0.000 1.171 122 H CA 0.953 56.978 56.048 -0.038 0.000 1.139 122 H CB -1.951 27.797 29.762 -0.023 0.000 1.515 122 H HN 1.032 nan 8.280 nan 0.000 0.423 123 T N -4.348 110.226 114.554 0.032 0.000 3.081 123 T HA 0.169 4.515 4.350 -0.007 0.000 0.250 123 T C 1.004 175.715 174.700 0.019 0.000 1.100 123 T CA 0.276 62.391 62.100 0.025 0.000 1.038 123 T CB 0.532 69.403 68.868 0.005 0.000 0.962 123 T HN 0.323 nan 8.240 nan 0.000 0.516 124 S N 2.348 118.059 115.700 0.018 0.000 2.593 124 S HA 0.278 4.744 4.470 -0.007 0.000 0.269 124 S C -0.010 174.599 174.600 0.014 0.000 1.334 124 S CA -0.706 57.500 58.200 0.010 0.000 1.015 124 S CB 0.401 63.605 63.200 0.006 0.000 0.912 124 S HN 0.369 nan 8.310 nan 0.000 0.541 125 D N 1.156 121.557 120.400 0.002 0.000 2.368 125 D HA 0.464 5.100 4.640 -0.007 0.000 0.240 125 D C -0.046 176.247 176.300 -0.012 0.000 1.169 125 D CA 0.117 54.112 54.000 -0.007 0.000 0.906 125 D CB 0.626 41.417 40.800 -0.015 0.000 1.187 125 D HN 0.579 nan 8.370 nan 0.000 0.435 126 A N 1.786 124.589 122.820 -0.029 0.000 2.330 126 A HA 0.370 4.686 4.320 -0.007 0.000 0.327 126 A C -0.082 177.461 177.584 -0.069 0.000 1.155 126 A CA -0.807 51.205 52.037 -0.042 0.000 0.803 126 A CB 0.871 19.840 19.000 -0.052 0.000 1.208 126 A HN 0.236 nan 8.150 nan 0.000 0.477 127 K N 1.772 122.141 120.400 -0.051 0.000 2.322 127 K HA 0.259 4.575 4.320 -0.007 0.000 0.283 127 K C -0.198 176.356 176.600 -0.077 0.000 1.042 127 K CA -0.262 55.990 56.287 -0.057 0.000 0.958 127 K CB 1.220 33.697 32.500 -0.038 0.000 0.984 127 K HN 0.434 nan 8.250 nan 0.000 0.473 128 V N 4.750 124.601 119.914 -0.105 0.000 2.540 128 V HA -0.065 4.051 4.120 -0.007 0.000 0.297 128 V C 0.712 176.825 176.094 0.032 0.000 1.024 128 V CA -0.191 62.050 62.300 -0.097 0.000 1.105 128 V CB -0.474 31.314 31.823 -0.057 0.000 0.938 128 V HN 0.545 nan 8.190 nan 0.000 0.482 129 F N 5.044 124.988 119.950 -0.010 0.000 2.629 129 F HA 0.408 4.931 4.527 -0.007 0.000 0.377 129 F C 1.363 177.189 175.800 0.042 0.000 1.101 129 F CA 1.612 59.630 58.000 0.031 0.000 1.301 129 F CB 0.297 39.340 39.000 0.072 0.000 1.062 129 F HN 0.816 nan 8.300 nan 0.000 0.583 130 G N 2.891 111.142 108.800 -0.914 0.000 2.900 130 G HA2 -0.342 3.614 3.960 -0.007 0.000 0.223 130 G HA3 -0.342 3.614 3.960 -0.007 0.000 0.223 130 G C 0.569 175.309 174.900 -0.266 0.000 1.293 130 G CA 0.556 45.285 45.100 -0.618 0.000 0.792 130 G HN 1.161 nan 8.290 nan 0.000 0.527 131 T N -1.670 112.801 114.554 -0.137 0.000 2.753 131 T HA 0.628 4.974 4.350 -0.007 0.000 0.309 131 T C 0.814 175.470 174.700 -0.073 0.000 1.043 131 T CA 1.015 63.074 62.100 -0.069 0.000 0.964 131 T CB 1.649 70.510 68.868 -0.012 0.000 1.206 131 T HN 0.211 nan 8.240 nan 0.000 0.528 132 E N -1.094 119.079 120.200 -0.045 0.000 2.538 132 E HA 0.246 4.592 4.350 -0.007 0.000 0.207 132 E C 0.384 176.965 176.600 -0.030 0.000 1.002 132 E CA -0.258 56.118 56.400 -0.040 0.000 0.952 132 E CB 0.227 29.907 29.700 -0.033 0.000 1.031 132 E HN 0.447 nan 8.360 nan 0.000 0.476 133 R N 0.039 120.523 120.500 -0.026 0.000 2.582 133 R HA 0.632 4.968 4.340 -0.007 0.000 0.271 133 R C -0.540 175.737 176.300 -0.039 0.000 1.078 133 R CA 0.089 56.175 56.100 -0.023 0.000 1.127 133 R CB 1.375 31.670 30.300 -0.007 0.000 1.038 133 R HN 0.025 nan 8.270 nan 0.000 0.500 134 A N 2.603 125.400 122.820 -0.039 0.000 2.455 134 A HA 0.606 4.922 4.320 -0.007 0.000 0.300 134 A C -1.307 176.247 177.584 -0.049 0.000 1.040 134 A CA -0.791 51.216 52.037 -0.050 0.000 0.697 134 A CB 1.203 20.181 19.000 -0.036 0.000 1.265 134 A HN 0.583 nan 8.150 nan 0.000 0.407 135 L N -0.545 120.638 121.223 -0.068 0.000 2.424 135 L HA 1.003 5.339 4.340 -0.007 0.000 0.258 135 L C -0.067 176.774 176.870 -0.049 0.000 0.995 135 L CA -0.848 53.958 54.840 -0.057 0.000 0.821 135 L CB 1.781 43.801 42.059 -0.065 0.000 1.383 135 L HN 1.035 nan 8.230 nan 0.000 0.410 136 A N 0.620 123.424 122.820 -0.028 0.000 2.366 136 A HA 0.587 4.903 4.320 -0.007 0.000 0.272 136 A C -0.076 177.510 177.584 0.004 0.000 1.135 136 A CA -0.236 51.797 52.037 -0.007 0.000 0.804 136 A CB 0.036 19.037 19.000 0.000 0.000 1.064 136 A HN 0.884 nan 8.150 nan 0.000 0.499 137 C N 4.794 124.123 119.300 0.048 0.000 3.401 137 C HA 0.398 4.854 4.460 -0.007 0.000 0.204 137 C C -2.363 172.774 174.990 0.245 0.000 1.522 137 C CA -1.098 58.001 59.018 0.134 0.000 1.409 137 C CB -0.534 27.301 27.740 0.159 0.000 1.967 137 C HN 0.749 nan 8.230 nan 0.000 0.496 138 P HA 0.601 nan 4.420 nan 0.000 0.278 138 P C 0.554 177.926 177.300 0.119 0.000 1.266 138 P CA 1.022 64.183 63.100 0.103 0.000 0.807 138 P CB 0.907 32.640 31.700 0.055 0.000 1.094 139 G N -0.968 107.831 108.800 -0.001 0.000 2.632 139 G HA2 0.320 4.276 3.960 -0.007 0.000 0.224 139 G HA3 0.320 4.276 3.960 -0.007 0.000 0.224 139 G C 0.137 174.897 174.900 -0.233 0.000 1.341 139 G CA 0.206 45.278 45.100 -0.047 0.000 0.880 139 G HN 1.157 nan 8.290 nan 0.000 0.566 140 G N -2.287 106.374 108.800 -0.231 0.000 2.593 140 G HA2 0.132 4.088 3.960 -0.007 0.000 0.237 140 G HA3 0.132 4.088 3.960 -0.007 0.000 0.237 140 G C -0.118 174.493 174.900 -0.481 0.000 1.312 140 G CA 0.759 45.537 45.100 -0.536 0.000 0.896 140 G HN 1.902 nan 8.290 nan 0.000 0.574 141 W N 0.309 121.351 121.300 -0.431 0.000 2.736 141 W HA 0.586 5.243 4.660 -0.006 0.000 0.335 141 W C 0.308 176.609 176.519 -0.364 0.000 1.059 141 W CA -1.287 55.863 57.345 -0.325 0.000 1.226 141 W CB 0.374 29.767 29.460 -0.110 0.000 1.416 141 W HN 0.695 nan 8.180 nan 0.000 0.505 142 H N 1.299 120.426 119.070 0.094 0.000 3.004 142 H HA -0.070 4.481 4.556 -0.007 0.000 0.316 142 H C 1.092 176.487 175.328 0.113 0.000 1.014 142 H CA 0.546 56.641 56.048 0.079 0.000 1.454 142 H CB 1.246 31.130 29.762 0.205 0.000 1.472 142 H HN 0.397 nan 8.280 nan 0.000 0.571 143 D N 3.013 123.569 120.400 0.261 0.000 2.092 143 D HA -0.153 4.483 4.640 -0.007 0.000 0.193 143 D C 0.995 177.402 176.300 0.178 0.000 0.994 143 D CA 1.937 56.101 54.000 0.273 0.000 0.828 143 D CB 0.360 41.442 40.800 0.471 0.000 0.963 143 D HN 0.621 nan 8.370 nan 0.000 0.450 144 A N -1.673 121.253 122.820 0.177 0.000 3.508 144 A HA 0.575 4.890 4.320 -0.007 0.000 0.169 144 A C 1.555 179.250 177.584 0.186 0.000 0.817 144 A CA 0.146 52.240 52.037 0.095 0.000 1.256 144 A CB -0.361 18.622 19.000 -0.028 0.000 2.053 144 A HN 0.134 nan 8.150 nan 0.000 0.825 145 G N 0.427 109.322 108.800 0.157 0.000 2.534 145 G HA2 0.191 4.146 3.960 -0.007 0.000 0.217 145 G HA3 0.191 4.146 3.960 -0.007 0.000 0.217 145 G C 0.429 175.240 174.900 -0.149 0.000 1.128 145 G CA 1.463 46.645 45.100 0.136 0.000 0.784 145 G HN 0.822 nan 8.290 nan 0.000 0.542 146 D N -1.027 119.306 120.400 -0.112 0.000 2.560 146 D HA 0.233 4.869 4.640 -0.007 0.000 0.277 146 D C -0.055 176.031 176.300 -0.356 0.000 1.194 146 D CA -0.868 52.977 54.000 -0.258 0.000 1.092 146 D CB 0.264 41.162 40.800 0.164 0.000 1.169 146 D HN 0.071 nan 8.370 nan 0.000 0.607 147 Y N -1.222 119.086 120.300 0.013 0.000 2.612 147 Y HA 0.405 4.951 4.550 -0.007 0.000 0.250 147 Y C 1.199 177.024 175.900 -0.124 0.000 1.175 147 Y CA -0.766 57.221 58.100 -0.188 0.000 1.205 147 Y CB 0.470 38.694 38.460 -0.394 0.000 1.201 147 Y HN 0.440 nan 8.280 nan 0.000 0.532 148 G N 1.260 110.112 108.800 0.086 0.000 2.491 148 G HA2 0.320 4.276 3.960 -0.007 0.000 0.242 148 G HA3 0.320 4.276 3.960 -0.007 0.000 0.242 148 G C -0.211 174.462 174.900 -0.378 0.000 1.266 148 G CA -0.536 44.413 45.100 -0.252 0.000 0.844 148 G HN 0.162 nan 8.290 nan 0.000 0.571 149 K N 1.838 121.866 120.400 -0.621 0.000 2.521 149 K HA 0.244 4.560 4.320 -0.007 0.000 0.248 149 K C -1.459 174.932 176.600 -0.350 0.000 0.978 149 K CA -0.305 55.660 56.287 -0.537 0.000 0.947 149 K CB 1.501 33.507 32.500 -0.824 0.000 1.165 149 K HN 0.559 nan 8.250 nan 0.000 0.445 150 Y N 0.390 120.666 120.300 -0.040 0.000 2.341 150 Y HA 0.134 4.679 4.550 -0.007 0.000 0.337 150 Y C 1.690 177.545 175.900 -0.076 0.000 1.014 150 Y CA -0.780 57.250 58.100 -0.117 0.000 1.111 150 Y CB 1.683 39.929 38.460 -0.357 0.000 1.194 150 Y HN 0.460 nan 8.280 nan 0.000 0.462 151 T N 0.766 115.303 114.554 -0.027 0.000 2.737 151 T HA -0.153 4.193 4.350 -0.007 0.000 0.265 151 T C 1.952 176.562 174.700 -0.150 0.000 1.038 151 T CA 1.484 63.532 62.100 -0.088 0.000 1.144 151 T CB -0.178 68.545 68.868 -0.241 0.000 0.866 151 T HN 0.518 nan 8.240 nan 0.000 0.434 152 V N 2.852 122.581 119.914 -0.308 0.000 2.261 152 V HA -0.118 3.998 4.120 -0.007 0.000 0.246 152 V C -0.253 175.716 176.094 -0.209 0.000 1.047 152 V CA 1.767 63.941 62.300 -0.211 0.000 1.015 152 V CB -1.657 30.065 31.823 -0.168 0.000 0.642 152 V HN 0.415 nan 8.190 nan 0.000 0.446 153 P HA -0.070 nan 4.420 nan 0.000 0.223 153 P C 1.528 178.771 177.300 -0.094 0.000 1.151 153 P CA 1.791 64.549 63.100 -0.569 0.000 0.787 153 P CB -0.009 30.935 31.700 -1.260 0.000 0.788 154 A N 0.925 123.747 122.820 0.004 0.000 1.933 154 A HA -0.056 4.260 4.320 -0.007 0.000 0.218 154 A C 2.480 180.161 177.584 0.161 0.000 1.175 154 A CA 2.024 54.176 52.037 0.192 0.000 0.628 154 A CB -1.479 17.702 19.000 0.300 0.000 0.814 154 A HN 0.228 nan 8.150 nan 0.000 0.444 155 A N 0.002 122.873 122.820 0.085 0.000 1.933 155 A HA -0.169 4.147 4.320 -0.007 0.000 0.218 155 A C 2.118 179.817 177.584 0.192 0.000 1.175 155 A CA 2.025 54.113 52.037 0.085 0.000 0.628 155 A CB -0.443 18.578 19.000 0.036 0.000 0.814 155 A HN 0.606 nan 8.150 nan 0.000 0.444 156 K N -0.175 120.336 120.400 0.185 0.000 2.026 156 K HA -0.066 4.250 4.320 -0.007 0.000 0.208 156 K C 2.137 178.875 176.600 0.230 0.000 1.048 156 K CA 1.322 57.694 56.287 0.142 0.000 0.929 156 K CB -0.398 32.236 32.500 0.222 0.000 0.713 156 K HN 0.311 nan 8.250 nan 0.000 0.439 157 A N 1.005 124.025 122.820 0.334 0.000 1.883 157 A HA -0.159 4.157 4.320 -0.007 0.000 0.217 157 A C 2.300 180.089 177.584 0.342 0.000 1.186 157 A CA 1.921 54.230 52.037 0.454 0.000 0.624 157 A CB -1.006 18.411 19.000 0.695 0.000 0.822 157 A HN 0.294 nan 8.150 nan 0.000 0.444 158 V N -0.412 119.658 119.914 0.260 0.000 2.379 158 V HA -0.060 4.056 4.120 -0.007 0.000 0.245 158 V C 2.695 178.817 176.094 0.046 0.000 1.044 158 V CA 2.213 64.589 62.300 0.127 0.000 1.036 158 V CB -0.800 31.033 31.823 0.015 0.000 0.664 158 V HN 0.612 nan 8.190 nan 0.000 0.453 159 A N -0.129 122.728 122.820 0.061 0.000 1.908 159 A HA -0.255 4.061 4.320 -0.007 0.000 0.218 159 A C 1.925 179.580 177.584 0.118 0.000 1.181 159 A CA 2.197 54.263 52.037 0.049 0.000 0.627 159 A CB -0.867 18.137 19.000 0.007 0.000 0.818 159 A HN 0.634 nan 8.150 nan 0.000 0.445 160 D N -0.036 120.467 120.400 0.173 0.000 2.117 160 D HA -0.090 4.546 4.640 -0.007 0.000 0.197 160 D C 1.914 178.361 176.300 0.245 0.000 0.987 160 D CA 0.974 55.108 54.000 0.223 0.000 0.829 160 D CB -0.330 40.622 40.800 0.254 0.000 0.961 160 D HN 0.460 nan 8.370 nan 0.000 0.460 161 L N 0.078 121.393 121.223 0.153 0.000 2.156 161 L HA -0.056 4.280 4.340 -0.007 0.000 0.208 161 L C 2.441 179.373 176.870 0.102 0.000 1.095 161 L CA 0.426 55.325 54.840 0.098 0.000 0.770 161 L CB -0.204 41.834 42.059 -0.034 0.000 0.914 161 L HN 0.038 nan 8.230 nan 0.000 0.439 162 L N -0.598 120.644 121.223 0.031 0.000 2.027 162 L HA -0.210 4.126 4.340 -0.007 0.000 0.206 162 L C 2.486 179.456 176.870 0.166 0.000 1.074 162 L CA 1.138 55.957 54.840 -0.035 0.000 0.745 162 L CB -0.389 41.430 42.059 -0.400 0.000 0.898 162 L HN 0.235 nan 8.230 nan 0.000 0.433 163 L N -0.375 121.009 121.223 0.269 0.000 2.083 163 L HA -0.204 4.132 4.340 -0.007 0.000 0.209 163 L C 2.853 180.064 176.870 0.569 0.000 1.083 163 L CA 1.126 56.256 54.840 0.484 0.000 0.752 163 L CB -0.671 41.631 42.059 0.404 0.000 0.899 163 L HN 0.245 nan 8.230 nan 0.000 0.433 164 A N -0.487 122.654 122.820 0.534 0.000 1.902 164 A HA -0.306 4.010 4.320 -0.007 0.000 0.217 164 A C 2.119 179.841 177.584 0.229 0.000 1.181 164 A CA 2.028 54.301 52.037 0.394 0.000 0.623 164 A CB -0.825 18.401 19.000 0.378 0.000 0.818 164 A HN 0.564 nan 8.150 nan 0.000 0.443 165 H N 0.787 119.926 119.070 0.116 0.000 2.321 165 H HA -0.118 4.434 4.556 -0.007 0.000 0.300 165 H C 1.953 177.294 175.328 0.022 0.000 1.087 165 H CA 1.979 58.043 56.048 0.027 0.000 1.319 165 H CB -0.148 29.566 29.762 -0.079 0.000 1.379 165 H HN 0.691 nan 8.280 nan 0.000 0.501 166 E N -1.521 118.667 120.200 -0.021 0.000 2.481 166 E HA -0.124 4.222 4.350 -0.007 0.000 0.195 166 E C 1.041 177.503 176.600 -0.230 0.000 1.047 166 E CA 0.471 56.800 56.400 -0.119 0.000 0.867 166 E CB -0.116 29.624 29.700 0.068 0.000 0.858 166 E HN 0.562 nan 8.360 nan 0.000 0.513 167 Y N -0.023 120.062 120.300 -0.358 0.000 2.353 167 Y HA 0.171 4.716 4.550 -0.007 0.000 0.294 167 Y C 0.512 175.804 175.900 -1.013 0.000 1.135 167 Y CA 0.409 58.022 58.100 -0.812 0.000 1.176 167 Y CB 0.664 38.369 38.460 -1.258 0.000 1.124 167 Y HN -0.052 nan 8.280 nan 0.000 0.537 168 F N 0.301 120.256 119.950 0.007 0.000 2.564 168 F HA 0.387 4.911 4.527 -0.006 0.000 0.329 168 F C -2.100 173.669 175.800 -0.051 0.000 1.458 168 F CA -2.724 55.251 58.000 -0.041 0.000 1.117 168 F CB 0.453 39.401 39.000 -0.088 0.000 1.383 168 F HN -0.122 nan 8.300 nan 0.000 0.571 169 P HA -0.100 nan 4.420 nan 0.000 0.220 169 P C 1.517 178.853 177.300 0.060 0.000 1.152 169 P CA 1.314 64.376 63.100 -0.064 0.000 0.812 169 P CB 0.419 31.982 31.700 -0.230 0.000 0.792 170 A N 0.633 123.508 122.820 0.092 0.000 1.930 170 A HA 0.039 4.355 4.320 -0.007 0.000 0.217 170 A C 2.464 180.185 177.584 0.229 0.000 1.175 170 A CA 1.869 53.989 52.037 0.138 0.000 0.627 170 A CB -1.447 17.630 19.000 0.129 0.000 0.815 170 A HN 0.218 nan 8.150 nan 0.000 0.443 171 A N -0.383 122.555 122.820 0.197 0.000 1.930 171 A HA 0.059 4.375 4.320 -0.007 0.000 0.217 171 A C 2.055 179.756 177.584 0.195 0.000 1.175 171 A CA 1.306 53.448 52.037 0.175 0.000 0.627 171 A CB -0.512 18.540 19.000 0.087 0.000 0.815 171 A HN 0.440 nan 8.150 nan 0.000 0.443 172 L N -0.742 120.582 121.223 0.168 0.000 2.376 172 L HA -0.078 4.258 4.340 -0.007 0.000 0.219 172 L C 2.849 179.798 176.870 0.131 0.000 1.133 172 L CA 0.611 55.538 54.840 0.144 0.000 0.816 172 L CB -0.288 41.855 42.059 0.139 0.000 0.933 172 L HN 0.426 nan 8.230 nan 0.000 0.449 173 A N -0.743 122.156 122.820 0.132 0.000 2.015 173 A HA -0.204 4.112 4.320 -0.007 0.000 0.219 173 A C 1.756 179.338 177.584 -0.003 0.000 1.163 173 A CA 1.208 53.275 52.037 0.050 0.000 0.646 173 A CB -0.674 18.329 19.000 0.005 0.000 0.806 173 A HN 0.437 nan 8.150 nan 0.000 0.448 174 H N -1.623 117.481 119.070 0.056 0.000 2.556 174 H HA 0.272 4.824 4.556 -0.007 0.000 0.268 174 H C -0.114 175.246 175.328 0.054 0.000 0.996 174 H CA 0.478 56.559 56.048 0.054 0.000 1.157 174 H CB 0.018 29.814 29.762 0.057 0.000 1.355 174 H HN 0.220 nan 8.280 nan 0.000 0.597 175 V N 0.829 120.830 119.914 0.145 0.000 2.547 175 V HA 0.326 4.442 4.120 -0.007 0.000 0.299 175 V C -0.013 176.126 176.094 0.076 0.000 1.040 175 V CA -0.944 61.424 62.300 0.113 0.000 0.913 175 V CB 2.239 34.131 31.823 0.115 0.000 0.992 175 V HN 0.199 nan 8.190 nan 0.000 0.449 176 R N 4.920 125.463 120.500 0.073 0.000 2.480 176 R HA 0.516 4.852 4.340 -0.007 0.000 0.306 176 R C -2.667 173.671 176.300 0.064 0.000 0.958 176 R CA -1.587 54.543 56.100 0.049 0.000 0.861 176 R CB 2.435 32.758 30.300 0.038 0.000 1.171 176 R HN 0.471 nan 8.270 nan 0.000 0.445 177 P HA 0.184 nan 4.420 nan 0.000 0.333 177 P C -0.243 177.108 177.300 0.084 0.000 1.315 177 P CA -0.373 62.782 63.100 0.091 0.000 0.746 177 P CB 0.560 32.313 31.700 0.088 0.000 1.575 178 M N 0.616 120.289 119.600 0.121 0.000 3.422 178 M HA 0.157 4.633 4.480 -0.007 0.000 0.248 178 M C 1.411 177.771 176.300 0.100 0.000 1.433 178 M CA 0.163 55.484 55.300 0.036 0.000 1.592 178 M CB -0.332 32.217 32.600 -0.084 0.000 1.078 178 M HN 0.190 nan 8.290 nan 0.000 0.578 179 R N 0.223 120.764 120.500 0.068 0.000 2.103 179 R HA -0.147 4.189 4.340 -0.007 0.000 0.242 179 R C 2.250 178.560 176.300 0.018 0.000 1.142 179 R CA 2.071 58.170 56.100 -0.001 0.000 0.960 179 R CB -0.300 29.827 30.300 -0.288 0.000 0.858 179 R HN 0.627 nan 8.270 nan 0.000 0.439 180 S N -0.048 115.647 115.700 -0.007 0.000 2.474 180 S HA -0.035 4.431 4.470 -0.007 0.000 0.235 180 S C 1.927 176.534 174.600 0.011 0.000 0.997 180 S CA 0.799 59.023 58.200 0.039 0.000 0.949 180 S CB -0.070 63.137 63.200 0.011 0.000 0.766 180 S HN 0.050 nan 8.310 nan 0.000 0.517 181 V N 1.536 121.388 119.914 -0.103 0.000 2.871 181 V HA 0.029 4.145 4.120 -0.007 0.000 0.256 181 V C 1.088 177.036 176.094 -0.243 0.000 1.082 181 V CA 0.788 62.949 62.300 -0.232 0.000 1.105 181 V CB -0.822 30.768 31.823 -0.389 0.000 0.713 181 V HN 0.611 nan 8.190 nan 0.000 0.473 182 H N 0.196 119.331 119.070 0.109 0.000 2.508 182 H HA 0.420 4.972 4.556 -0.007 0.000 0.344 182 H C 0.327 175.736 175.328 0.135 0.000 1.192 182 H CA -0.750 55.377 56.048 0.132 0.000 1.290 182 H CB 0.863 30.726 29.762 0.168 0.000 1.571 182 H HN 0.142 nan 8.280 nan 0.000 0.555 183 R N 0.440 121.056 120.500 0.194 0.000 2.694 183 R HA 0.365 4.701 4.340 -0.007 0.000 0.268 183 R C -0.713 175.509 176.300 -0.130 0.000 1.061 183 R CA -0.272 55.852 56.100 0.039 0.000 1.133 183 R CB 0.361 30.678 30.300 0.028 0.000 1.020 183 R HN 0.719 nan 8.270 nan 0.000 0.475 184 A N 4.615 127.296 122.820 -0.232 0.000 2.340 184 A HA 0.566 4.882 4.320 -0.007 0.000 0.331 184 A C -2.239 175.241 177.584 -0.173 0.000 1.140 184 A CA -1.564 50.229 52.037 -0.406 0.000 0.801 184 A CB 0.850 19.619 19.000 -0.386 0.000 1.234 184 A HN 0.615 nan 8.150 nan 0.000 0.469 185 P HA 0.248 nan 4.420 nan 0.000 0.271 185 P C -0.737 176.472 177.300 -0.151 0.000 1.218 185 P CA 0.033 63.046 63.100 -0.145 0.000 0.780 185 P CB 0.229 31.917 31.700 -0.021 0.000 0.901 186 H N 1.876 120.977 119.070 0.052 0.000 2.767 186 H HA 0.133 4.686 4.556 -0.006 0.000 0.316 186 H C 0.423 175.765 175.328 0.024 0.000 1.059 186 H CA -0.318 55.753 56.048 0.038 0.000 1.461 186 H CB 0.426 30.211 29.762 0.038 0.000 1.475 186 H HN 0.206 nan 8.280 nan 0.000 0.531 187 L N 5.589 126.870 121.223 0.096 0.000 2.475 187 L HA 0.191 4.527 4.340 -0.007 0.000 0.253 187 L C -1.645 175.172 176.870 -0.088 0.000 1.198 187 L CA -1.871 52.949 54.840 -0.033 0.000 0.814 187 L CB -0.538 41.446 42.059 -0.126 0.000 1.134 187 L HN 0.496 nan 8.230 nan 0.000 0.478 188 P HA 0.033 nan 4.420 nan 0.000 0.264 188 P C -1.980 175.233 177.300 -0.146 0.000 1.183 188 P CA -0.720 62.294 63.100 -0.143 0.000 0.763 188 P CB -0.021 31.574 31.700 -0.175 0.000 0.807 189 P HA -0.313 nan 4.420 nan 0.000 0.218 189 P C 1.194 178.453 177.300 -0.068 0.000 1.154 189 P CA 2.399 65.472 63.100 -0.045 0.000 0.872 189 P CB -0.270 31.439 31.700 0.015 0.000 0.790 190 A N -1.165 121.621 122.820 -0.057 0.000 1.898 190 A HA -0.122 4.194 4.320 -0.007 0.000 0.216 190 A C 2.193 179.686 177.584 -0.152 0.000 1.181 190 A CA 1.347 53.345 52.037 -0.065 0.000 0.620 190 A CB -1.453 17.564 19.000 0.029 0.000 0.819 190 A HN 0.130 nan 8.150 nan 0.000 0.442 191 L N -0.904 120.127 121.223 -0.319 0.000 2.179 191 L HA -0.109 4.227 4.340 -0.007 0.000 0.208 191 L C 2.541 179.352 176.870 -0.098 0.000 1.096 191 L CA 1.503 56.130 54.840 -0.356 0.000 0.779 191 L CB -0.537 40.993 42.059 -0.880 0.000 0.922 191 L HN 0.614 nan 8.230 nan 0.000 0.443 192 E N 0.672 120.771 120.200 -0.168 0.000 2.051 192 E HA -0.192 4.154 4.350 -0.007 0.000 0.192 192 E C 2.181 178.599 176.600 -0.303 0.000 0.991 192 E CA 1.591 57.870 56.400 -0.202 0.000 0.799 192 E CB 0.071 29.631 29.700 -0.233 0.000 0.748 192 E HN 0.194 nan 8.360 nan 0.000 0.449 193 V N 1.077 120.868 119.914 -0.205 0.000 2.307 193 V HA -0.219 3.897 4.120 -0.007 0.000 0.245 193 V C 2.455 178.676 176.094 0.212 0.000 1.045 193 V CA 1.802 64.098 62.300 -0.006 0.000 1.024 193 V CB -0.737 31.101 31.823 0.024 0.000 0.651 193 V HN 0.505 nan 8.190 nan 0.000 0.449 194 A N -0.169 122.728 122.820 0.129 0.000 2.019 194 A HA -0.238 4.078 4.320 -0.007 0.000 0.219 194 A C 2.355 179.942 177.584 0.005 0.000 1.164 194 A CA 1.911 54.032 52.037 0.140 0.000 0.644 194 A CB -0.561 18.502 19.000 0.105 0.000 0.805 194 A HN 0.512 nan 8.150 nan 0.000 0.449 195 R N -0.187 120.324 120.500 0.019 0.000 2.073 195 R HA -0.140 4.196 4.340 -0.007 0.000 0.234 195 R C 1.882 178.107 176.300 -0.125 0.000 1.134 195 R CA 1.526 57.556 56.100 -0.115 0.000 0.952 195 R CB -0.217 30.036 30.300 -0.077 0.000 0.850 195 R HN 0.459 nan 8.270 nan 0.000 0.433 196 E N 0.531 120.710 120.200 -0.036 0.000 2.114 196 E HA -0.274 4.072 4.350 -0.007 0.000 0.199 196 E C 1.796 178.278 176.600 -0.197 0.000 1.008 196 E CA 1.754 58.130 56.400 -0.041 0.000 0.810 196 E CB -0.162 29.593 29.700 0.091 0.000 0.739 196 E HN 0.454 nan 8.360 nan 0.000 0.456 197 E N 0.498 120.429 120.200 -0.448 0.000 2.112 197 E HA -0.033 4.313 4.350 -0.007 0.000 0.190 197 E C 2.093 178.541 176.600 -0.252 0.000 0.979 197 E CA 0.425 56.459 56.400 -0.609 0.000 0.814 197 E CB -0.149 28.633 29.700 -1.530 0.000 0.762 197 E HN 0.213 nan 8.360 nan 0.000 0.460 198 I N 0.406 120.818 120.570 -0.263 0.000 2.394 198 I HA -0.210 3.956 4.170 -0.007 0.000 0.251 198 I C 2.263 178.255 176.117 -0.208 0.000 1.136 198 I CA 0.965 62.116 61.300 -0.247 0.000 1.425 198 I CB -0.225 37.586 38.000 -0.315 0.000 1.079 198 I HN 0.204 nan 8.210 nan 0.000 0.425 199 A N 0.340 123.063 122.820 -0.162 0.000 1.872 199 A HA -0.244 4.072 4.320 -0.007 0.000 0.214 199 A C 2.082 179.631 177.584 -0.058 0.000 1.187 199 A CA 1.234 53.205 52.037 -0.110 0.000 0.614 199 A CB -1.220 17.733 19.000 -0.079 0.000 0.826 199 A HN 0.650 nan 8.150 nan 0.000 0.442 200 W N 0.426 121.618 121.300 -0.180 0.000 2.305 200 W HA -0.220 4.436 4.660 -0.006 0.000 0.308 200 W C 1.428 177.874 176.519 -0.120 0.000 1.226 200 W CA 1.932 59.183 57.345 -0.157 0.000 1.253 200 W CB -0.478 28.855 29.460 -0.211 0.000 1.146 200 W HN 0.247 nan 8.180 nan 0.000 0.507 201 L N 0.528 121.410 121.223 -0.569 0.000 2.179 201 L HA 0.029 4.365 4.340 -0.007 0.000 0.208 201 L C 2.341 178.983 176.870 -0.381 0.000 1.096 201 L CA 1.566 55.897 54.840 -0.848 0.000 0.779 201 L CB -1.233 40.569 42.059 -0.429 0.000 0.922 201 L HN 0.107 nan 8.230 nan 0.000 0.443 202 L N -0.781 120.329 121.223 -0.188 0.000 2.201 202 L HA -0.165 4.171 4.340 -0.007 0.000 0.212 202 L C 2.295 179.068 176.870 -0.163 0.000 1.105 202 L CA 1.488 56.300 54.840 -0.046 0.000 0.775 202 L CB -0.746 41.276 42.059 -0.062 0.000 0.913 202 L HN 0.424 nan 8.230 nan 0.000 0.440 203 T N -3.782 110.624 114.554 -0.247 0.000 3.085 203 T HA -0.082 4.264 4.350 -0.007 0.000 0.263 203 T C 1.660 176.204 174.700 -0.260 0.000 1.127 203 T CA 0.451 62.424 62.100 -0.212 0.000 1.103 203 T CB -0.013 68.764 68.868 -0.152 0.000 0.921 203 T HN 0.087 nan 8.240 nan 0.000 0.510 204 M N 0.697 120.043 119.600 -0.423 0.000 2.595 204 M HA 0.267 4.743 4.480 -0.007 0.000 0.248 204 M C 1.055 177.152 176.300 -0.337 0.000 1.119 204 M CA 0.315 55.389 55.300 -0.377 0.000 1.079 204 M CB -0.680 31.543 32.600 -0.629 0.000 1.472 204 M HN 0.458 nan 8.290 nan 0.000 0.501 205 Q N 1.785 121.305 119.800 -0.467 0.000 2.279 205 Q HA 0.064 4.400 4.340 -0.007 0.000 0.256 205 Q C -0.853 174.951 176.000 -0.325 0.000 0.937 205 Q CA -0.245 55.205 55.803 -0.589 0.000 0.933 205 Q CB 1.025 29.328 28.738 -0.725 0.000 1.189 205 Q HN 0.009 nan 8.270 nan 0.000 0.417 206 D N 6.598 126.762 120.400 -0.393 0.000 2.363 206 D HA 0.120 4.756 4.640 -0.007 0.000 0.263 206 D C -2.205 174.001 176.300 -0.156 0.000 1.258 206 D CA -1.364 52.502 54.000 -0.223 0.000 0.907 206 D CB 0.849 41.430 40.800 -0.366 0.000 1.107 206 D HN 0.269 nan 8.370 nan 0.000 0.495 207 P HA 0.200 nan 4.420 nan 0.000 0.275 207 P C -0.106 177.183 177.300 -0.017 0.000 1.228 207 P CA -0.080 62.992 63.100 -0.046 0.000 0.786 207 P CB 1.347 33.030 31.700 -0.029 0.000 0.927 208 A N 1.369 124.188 122.820 -0.000 0.000 3.080 208 A HA -0.155 4.161 4.320 -0.007 0.000 0.254 208 A C 0.995 178.606 177.584 0.045 0.000 1.277 208 A CA 1.807 53.858 52.037 0.023 0.000 1.065 208 A CB -2.694 16.320 19.000 0.023 0.000 1.160 208 A HN 0.539 nan 8.150 nan 0.000 0.886 209 T N -3.608 110.970 114.554 0.040 0.000 3.525 209 T HA 0.463 4.809 4.350 -0.007 0.000 0.286 209 T C 2.245 177.037 174.700 0.152 0.000 0.944 209 T CA 1.537 63.710 62.100 0.121 0.000 1.063 209 T CB 0.293 69.214 68.868 0.089 0.000 1.179 209 T HN 2.258 nan 8.240 nan 0.000 0.493 210 G N 1.393 110.173 108.800 -0.032 0.000 2.217 210 G HA2 -0.116 3.840 3.960 -0.007 0.000 0.246 210 G HA3 -0.116 3.840 3.960 -0.007 0.000 0.246 210 G C 0.485 175.160 174.900 -0.374 0.000 0.990 210 G CA 0.070 45.114 45.100 -0.093 0.000 0.627 210 G HN 0.902 nan 8.290 nan 0.000 0.522 211 G N -0.636 107.768 108.800 -0.660 0.000 2.527 211 G HA2 0.584 4.540 3.960 -0.007 0.000 0.248 211 G HA3 0.584 4.540 3.960 -0.007 0.000 0.248 211 G C -0.150 174.109 174.900 -1.068 0.000 1.231 211 G CA 0.386 44.638 45.100 -1.413 0.000 0.838 211 G HN 1.046 nan 8.290 nan 0.000 0.570 212 V N 1.900 121.160 119.914 -1.090 0.000 2.495 212 V HA 0.248 4.364 4.120 -0.007 0.000 0.298 212 V C -0.659 175.018 176.094 -0.695 0.000 1.031 212 V CA -0.921 60.840 62.300 -0.898 0.000 0.871 212 V CB 1.103 32.371 31.823 -0.924 0.000 0.988 212 V HN 0.633 nan 8.190 nan 0.000 0.432 213 Y N 2.471 122.529 120.300 -0.403 0.000 2.610 213 Y HA 0.035 4.581 4.550 -0.007 0.000 0.332 213 Y C 1.617 177.376 175.900 -0.236 0.000 1.201 213 Y CA 0.513 58.465 58.100 -0.246 0.000 1.465 213 Y CB 0.201 38.556 38.460 -0.175 0.000 1.283 213 Y HN 0.768 nan 8.280 nan 0.000 0.563 214 H N 2.212 121.195 119.070 -0.145 0.000 2.387 214 H HA -0.040 4.512 4.556 -0.007 0.000 0.299 214 H C -0.176 175.025 175.328 -0.211 0.000 1.090 214 H CA 1.753 57.602 56.048 -0.331 0.000 1.332 214 H CB 0.336 29.601 29.762 -0.829 0.000 1.386 214 H HN 0.669 nan 8.280 nan 0.000 0.516 215 K N -1.954 118.419 120.400 -0.044 0.000 2.642 215 K HA 0.404 4.719 4.320 -0.007 0.000 0.290 215 K C -1.924 174.660 176.600 -0.027 0.000 1.006 215 K CA -0.932 55.323 56.287 -0.054 0.000 0.869 215 K CB 1.471 33.935 32.500 -0.059 0.000 1.499 215 K HN -0.111 nan 8.250 nan 0.000 0.403 216 V N 1.807 121.682 119.914 -0.066 0.000 2.380 216 V HA 0.601 4.717 4.120 -0.007 0.000 0.286 216 V C -1.239 174.755 176.094 -0.166 0.000 1.015 216 V CA 0.464 62.728 62.300 -0.060 0.000 0.834 216 V CB 0.942 32.791 31.823 0.043 0.000 1.009 216 V HN 0.999 nan 8.190 nan 0.000 0.428 217 T N 1.750 116.224 114.554 -0.132 0.000 2.865 217 T HA 0.639 4.985 4.350 -0.007 0.000 0.294 217 T C 0.052 174.723 174.700 -0.048 0.000 1.119 217 T CA -0.130 61.886 62.100 -0.139 0.000 1.007 217 T CB 1.662 70.423 68.868 -0.178 0.000 1.225 217 T HN 0.880 nan 8.240 nan 0.000 0.515 218 T N -0.553 113.988 114.554 -0.022 0.000 2.898 218 T HA 0.355 4.701 4.350 -0.007 0.000 0.301 218 T C -1.752 172.930 174.700 -0.030 0.000 1.049 218 T CA -1.268 60.838 62.100 0.010 0.000 1.095 218 T CB 0.126 69.029 68.868 0.058 0.000 0.976 218 T HN 0.355 nan 8.240 nan 0.000 0.539 219 P HA -0.053 nan 4.420 nan 0.000 0.216 219 P C 0.513 177.770 177.300 -0.072 0.000 1.150 219 P CA 1.170 64.266 63.100 -0.006 0.000 0.843 219 P CB 0.053 31.770 31.700 0.028 0.000 0.787 220 S N -3.216 112.431 115.700 -0.088 0.000 2.685 220 S HA 0.534 5.000 4.470 -0.007 0.000 0.282 220 S C -0.681 173.833 174.600 -0.144 0.000 1.159 220 S CA -0.991 57.112 58.200 -0.162 0.000 0.833 220 S CB 0.490 63.672 63.200 -0.031 0.000 1.151 220 S HN -0.216 nan 8.310 nan 0.000 0.485 221 F N 2.744 122.731 119.950 0.061 0.000 2.484 221 F HA 0.417 4.940 4.527 -0.007 0.000 0.360 221 F C -1.377 174.455 175.800 0.053 0.000 1.101 221 F CA -1.317 56.715 58.000 0.053 0.000 1.251 221 F CB -0.132 38.888 39.000 0.033 0.000 1.132 221 F HN 0.404 nan 8.300 nan 0.000 0.570 222 P HA 0.233 nan 4.420 nan 0.000 0.274 222 P C -2.688 174.691 177.300 0.131 0.000 1.246 222 P CA -1.427 61.776 63.100 0.172 0.000 0.795 222 P CB 0.008 31.824 31.700 0.193 0.000 1.006 223 P HA 0.014 nan 4.420 nan 0.000 0.269 223 P C 0.987 178.298 177.300 0.017 0.000 1.217 223 P CA -0.187 62.947 63.100 0.058 0.000 0.783 223 P CB 0.209 31.938 31.700 0.050 0.000 0.898 224 L N 1.541 122.755 121.223 -0.015 0.000 2.549 224 L HA -0.140 4.196 4.340 -0.007 0.000 0.230 224 L C 1.293 178.129 176.870 -0.057 0.000 1.162 224 L CA 1.833 56.621 54.840 -0.087 0.000 0.834 224 L CB -0.865 41.137 42.059 -0.096 0.000 0.947 224 L HN 0.262 nan 8.230 nan 0.000 0.452 225 D N -1.381 119.014 120.400 -0.009 0.000 2.333 225 D HA 0.015 4.651 4.640 -0.007 0.000 0.208 225 D C 0.315 176.630 176.300 0.025 0.000 0.984 225 D CA 0.356 54.361 54.000 0.008 0.000 0.873 225 D CB 0.134 40.945 40.800 0.017 0.000 0.935 225 D HN 0.268 nan 8.370 nan 0.000 0.521 226 T N 2.168 116.751 114.554 0.047 0.000 2.769 226 T HA 0.174 4.520 4.350 -0.007 0.000 0.293 226 T C 0.711 175.487 174.700 0.126 0.000 0.931 226 T CA -0.330 61.824 62.100 0.090 0.000 1.139 226 T CB 0.814 69.772 68.868 0.149 0.000 0.881 226 T HN -0.021 nan 8.240 nan 0.000 0.532 227 R N 3.941 124.469 120.500 0.047 0.000 2.734 227 R HA 0.075 4.411 4.340 -0.007 0.000 0.266 227 R C -1.550 174.669 176.300 -0.134 0.000 1.044 227 R CA -1.549 54.549 56.100 -0.002 0.000 1.128 227 R CB -0.157 30.124 30.300 -0.031 0.000 1.010 227 R HN 0.349 nan 8.270 nan 0.000 0.461 228 P HA -0.231 nan 4.420 nan 0.000 0.216 228 P C 0.665 177.585 177.300 -0.634 0.000 1.153 228 P CA 1.449 64.057 63.100 -0.820 0.000 0.858 228 P CB 0.142 31.335 31.700 -0.846 0.000 0.789 229 E N -1.450 118.515 120.200 -0.392 0.000 2.444 229 E HA -0.004 4.342 4.350 -0.007 0.000 0.191 229 E C 0.209 176.685 176.600 -0.207 0.000 1.041 229 E CA 0.433 56.661 56.400 -0.287 0.000 0.883 229 E CB -0.506 29.103 29.700 -0.151 0.000 1.024 229 E HN 0.215 nan 8.360 nan 0.000 0.470 230 D N 1.021 121.310 120.400 -0.185 0.000 2.389 230 D HA -0.013 4.623 4.640 -0.007 0.000 0.206 230 D C -0.251 175.981 176.300 -0.114 0.000 1.055 230 D CA 0.174 54.107 54.000 -0.112 0.000 0.856 230 D CB 0.068 40.834 40.800 -0.055 0.000 0.957 230 D HN 0.098 nan 8.370 nan 0.000 0.509 231 D N 1.368 121.651 120.400 -0.195 0.000 2.416 231 D HA 0.025 4.661 4.640 -0.007 0.000 0.240 231 D C -0.213 175.960 176.300 -0.211 0.000 1.250 231 D CA 0.104 54.017 54.000 -0.145 0.000 0.967 231 D CB 0.190 40.933 40.800 -0.094 0.000 1.059 231 D HN -0.166 nan 8.370 nan 0.000 0.512 232 D N 2.142 122.483 120.400 -0.098 0.000 2.538 232 D HA 0.180 4.816 4.640 -0.007 0.000 0.231 232 D C 0.327 176.613 176.300 -0.024 0.000 1.229 232 D CA -0.312 53.639 54.000 -0.082 0.000 0.828 232 D CB 0.479 41.237 40.800 -0.069 0.000 1.035 232 D HN 0.384 nan 8.370 nan 0.000 0.495 233 A N 1.674 124.500 122.820 0.010 0.000 2.386 233 A HA 0.457 4.773 4.320 -0.007 0.000 0.248 233 A C -2.148 175.459 177.584 0.038 0.000 1.082 233 A CA -0.829 51.227 52.037 0.031 0.000 0.789 233 A CB -0.013 19.019 19.000 0.052 0.000 1.025 233 A HN -0.088 nan 8.150 nan 0.000 0.490 234 P HA 0.290 nan 4.420 nan 0.000 0.268 234 P C -0.902 176.420 177.300 0.038 0.000 1.205 234 P CA 0.102 63.218 63.100 0.027 0.000 0.771 234 P CB 0.350 32.061 31.700 0.018 0.000 0.858 235 L N 2.519 123.763 121.223 0.034 0.000 2.312 235 L HA 0.565 4.901 4.340 -0.007 0.000 0.281 235 L C 0.309 177.187 176.870 0.014 0.000 1.070 235 L CA -0.716 54.141 54.840 0.028 0.000 0.805 235 L CB 1.432 43.509 42.059 0.031 0.000 1.174 235 L HN 0.160 nan 8.230 nan 0.000 0.434 236 V N 4.915 124.840 119.914 0.018 0.000 2.735 236 V HA 0.503 4.619 4.120 -0.007 0.000 0.310 236 V C -0.677 175.423 176.094 0.009 0.000 1.061 236 V CA -0.641 61.678 62.300 0.032 0.000 0.913 236 V CB 2.114 34.002 31.823 0.108 0.000 1.005 236 V HN 0.590 nan 8.190 nan 0.000 0.428 237 L N 5.675 126.876 121.223 -0.038 0.000 2.268 237 L HA 0.443 4.779 4.340 -0.007 0.000 0.289 237 L C 0.775 177.682 176.870 0.061 0.000 1.064 237 L CA 0.177 54.955 54.840 -0.104 0.000 0.824 237 L CB 1.317 43.097 42.059 -0.466 0.000 1.202 237 L HN 0.766 nan 8.230 nan 0.000 0.433 238 S N 4.604 120.379 115.700 0.124 0.000 2.573 238 S HA 0.147 4.612 4.470 -0.007 0.000 0.277 238 S C -2.122 172.675 174.600 0.328 0.000 1.346 238 S CA -0.857 57.467 58.200 0.205 0.000 1.034 238 S CB 0.354 63.713 63.200 0.266 0.000 0.879 238 S HN 0.365 nan 8.310 nan 0.000 0.528 239 P HA 0.050 nan 4.420 nan 0.000 0.267 239 P C -0.264 177.197 177.300 0.269 0.000 1.201 239 P CA 0.011 63.324 63.100 0.354 0.000 0.775 239 P CB 0.165 32.025 31.700 0.266 0.000 0.854 240 I N 1.018 121.617 120.570 0.048 0.000 2.752 240 I HA -0.035 4.131 4.170 -0.007 0.000 0.289 240 I C 1.003 177.074 176.117 -0.076 0.000 1.197 240 I CA 1.073 62.219 61.300 -0.256 0.000 1.432 240 I CB -0.111 37.566 38.000 -0.539 0.000 1.359 240 I HN 0.374 nan 8.210 nan 0.000 0.571 241 S N 5.132 120.753 115.700 -0.131 0.000 2.568 241 S HA 0.315 4.780 4.470 -0.007 0.000 0.293 241 S C 0.454 175.039 174.600 -0.025 0.000 1.089 241 S CA -0.791 57.459 58.200 0.082 0.000 0.945 241 S CB 1.278 64.627 63.200 0.249 0.000 1.077 241 S HN 0.628 nan 8.310 nan 0.000 0.485 242 Y N 2.226 122.613 120.300 0.145 0.000 2.181 242 Y HA -0.041 4.505 4.550 -0.007 0.000 0.288 242 Y C 2.520 178.490 175.900 0.116 0.000 1.146 242 Y CA 2.295 60.537 58.100 0.236 0.000 1.164 242 Y CB -0.732 37.915 38.460 0.312 0.000 0.982 242 Y HN 0.917 nan 8.280 nan 0.000 0.515 243 A N 0.300 123.323 122.820 0.339 0.000 1.883 243 A HA -0.185 4.131 4.320 -0.007 0.000 0.217 243 A C 2.388 180.018 177.584 0.076 0.000 1.186 243 A CA 2.033 54.226 52.037 0.259 0.000 0.624 243 A CB -1.512 17.684 19.000 0.327 0.000 0.822 243 A HN 0.578 nan 8.150 nan 0.000 0.444 244 A N -1.121 121.694 122.820 -0.007 0.000 1.930 244 A HA -0.046 4.270 4.320 -0.007 0.000 0.217 244 A C 2.305 179.757 177.584 -0.221 0.000 1.175 244 A CA 2.245 54.182 52.037 -0.167 0.000 0.627 244 A CB -1.175 17.674 19.000 -0.252 0.000 0.815 244 A HN 0.453 nan 8.150 nan 0.000 0.443 245 T N 0.318 114.670 114.554 -0.337 0.000 2.737 245 T HA 0.029 4.375 4.350 -0.007 0.000 0.265 245 T C 2.254 176.829 174.700 -0.209 0.000 1.038 245 T CA 1.533 63.383 62.100 -0.418 0.000 1.144 245 T CB -0.466 67.963 68.868 -0.731 0.000 0.866 245 T HN 0.564 nan 8.240 nan 0.000 0.434 246 A N 0.848 123.524 122.820 -0.239 0.000 1.930 246 A HA -0.094 4.222 4.320 -0.007 0.000 0.217 246 A C 2.519 180.002 177.584 -0.169 0.000 1.175 246 A CA 2.061 53.992 52.037 -0.176 0.000 0.627 246 A CB -1.209 17.697 19.000 -0.157 0.000 0.815 246 A HN 0.446 nan 8.150 nan 0.000 0.443 247 T N -1.644 112.834 114.554 -0.127 0.000 2.904 247 T HA -0.071 4.275 4.350 -0.007 0.000 0.267 247 T C 1.514 176.024 174.700 -0.317 0.000 1.059 247 T CA 1.429 63.404 62.100 -0.208 0.000 1.137 247 T CB -0.394 68.475 68.868 0.003 0.000 0.879 247 T HN 0.485 nan 8.240 nan 0.000 0.467 248 F N 0.605 120.349 119.950 -0.343 0.000 2.113 248 F HA -0.053 4.470 4.527 -0.007 0.000 0.297 248 F C 2.624 178.217 175.800 -0.345 0.000 1.103 248 F CA 1.350 59.146 58.000 -0.340 0.000 1.248 248 F CB -0.899 37.899 39.000 -0.338 0.000 0.999 248 F HN 0.281 nan 8.300 nan 0.000 0.475 249 C N 1.051 120.252 119.300 -0.165 0.000 2.413 249 C HA -0.134 4.322 4.460 -0.007 0.000 0.276 249 C C 3.032 177.757 174.990 -0.442 0.000 1.236 249 C CA 1.667 60.547 59.018 -0.231 0.000 1.735 249 C CB -1.822 25.893 27.740 -0.041 0.000 2.031 249 C HN 0.635 nan 8.230 nan 0.000 0.474 250 A N 0.045 122.486 122.820 -0.632 0.000 1.929 250 A HA 0.243 4.559 4.320 -0.007 0.000 0.216 250 A C 2.461 179.613 177.584 -0.719 0.000 1.176 250 A CA 1.943 53.432 52.037 -0.913 0.000 0.628 250 A CB -1.042 16.790 19.000 -1.948 0.000 0.816 250 A HN 0.873 nan 8.150 nan 0.000 0.444 251 A N -0.907 121.498 122.820 -0.693 0.000 1.929 251 A HA -0.036 4.280 4.320 -0.007 0.000 0.216 251 A C 2.143 179.519 177.584 -0.346 0.000 1.176 251 A CA 1.781 53.579 52.037 -0.399 0.000 0.628 251 A CB -0.407 18.373 19.000 -0.367 0.000 0.816 251 A HN 0.402 nan 8.150 nan 0.000 0.444 252 M N -0.400 118.876 119.600 -0.539 0.000 2.156 252 M HA 0.002 4.478 4.480 -0.007 0.000 0.264 252 M C 2.481 178.609 176.300 -0.286 0.000 1.067 252 M CA 1.455 56.456 55.300 -0.498 0.000 1.131 252 M CB -1.534 30.593 32.600 -0.788 0.000 1.368 252 M HN 0.461 nan 8.290 nan 0.000 0.416 253 A N -1.207 121.444 122.820 -0.281 0.000 1.969 253 A HA -0.206 4.110 4.320 -0.007 0.000 0.218 253 A C 2.063 179.600 177.584 -0.078 0.000 1.169 253 A CA 1.802 53.719 52.037 -0.199 0.000 0.635 253 A CB -1.151 17.685 19.000 -0.273 0.000 0.810 253 A HN 0.625 nan 8.150 nan 0.000 0.445 254 H N -0.768 118.207 119.070 -0.158 0.000 2.326 254 H HA 0.008 4.560 4.556 -0.007 0.000 0.301 254 H C 2.329 177.660 175.328 0.006 0.000 1.081 254 H CA 1.023 57.044 56.048 -0.045 0.000 1.334 254 H CB 0.024 29.789 29.762 0.006 0.000 1.385 254 H HN 0.474 nan 8.280 nan 0.000 0.504 255 A N 0.859 123.743 122.820 0.108 0.000 1.933 255 A HA -0.106 4.210 4.320 -0.007 0.000 0.218 255 A C 2.521 180.215 177.584 0.182 0.000 1.175 255 A CA 1.316 53.440 52.037 0.145 0.000 0.628 255 A CB -1.006 17.976 19.000 -0.031 0.000 0.814 255 A HN 0.599 nan 8.150 nan 0.000 0.444 256 A N -0.310 122.539 122.820 0.049 0.000 1.940 256 A HA -0.064 4.252 4.320 -0.007 0.000 0.219 256 A C 2.183 179.815 177.584 0.080 0.000 1.176 256 A CA 1.547 53.604 52.037 0.034 0.000 0.631 256 A CB -0.530 18.447 19.000 -0.038 0.000 0.814 256 A HN 0.479 nan 8.150 nan 0.000 0.446 257 L N -0.761 120.516 121.223 0.090 0.000 2.005 257 L HA -0.134 4.202 4.340 -0.007 0.000 0.207 257 L C 2.541 179.492 176.870 0.134 0.000 1.072 257 L CA 1.200 56.095 54.840 0.090 0.000 0.744 257 L CB -0.425 41.679 42.059 0.076 0.000 0.895 257 L HN 0.257 nan 8.230 nan 0.000 0.433 258 V N -1.676 118.346 119.914 0.179 0.000 2.427 258 V HA -0.275 3.841 4.120 -0.007 0.000 0.248 258 V C 1.834 177.987 176.094 0.099 0.000 1.051 258 V CA 1.521 63.897 62.300 0.128 0.000 1.048 258 V CB -0.665 31.183 31.823 0.042 0.000 0.666 258 V HN 0.354 nan 8.190 nan 0.000 0.456 259 Y N -0.241 120.135 120.300 0.127 0.000 2.529 259 Y HA 0.099 4.644 4.550 -0.007 0.000 0.290 259 Y C 2.444 178.437 175.900 0.155 0.000 1.177 259 Y CA 0.362 58.562 58.100 0.166 0.000 1.305 259 Y CB -0.305 38.181 38.460 0.044 0.000 1.047 259 Y HN 0.073 nan 8.280 nan 0.000 0.522 260 R N 0.976 121.597 120.500 0.203 0.000 2.096 260 R HA -0.178 4.158 4.340 -0.007 0.000 0.240 260 R C -0.965 175.339 176.300 0.007 0.000 1.139 260 R CA 1.897 58.050 56.100 0.088 0.000 0.952 260 R CB -1.134 29.193 30.300 0.045 0.000 0.854 260 R HN 0.235 nan 8.270 nan 0.000 0.436 261 P HA 0.038 nan 4.420 nan 0.000 0.249 261 P C 0.076 177.071 177.300 -0.508 0.000 1.229 261 P CA 0.899 63.783 63.100 -0.360 0.000 0.788 261 P CB 0.161 31.517 31.700 -0.574 0.000 1.072 262 F N -1.298 118.666 119.950 0.024 0.000 2.537 262 F HA 0.272 4.795 4.527 -0.007 0.000 0.277 262 F C 0.754 176.594 175.800 0.066 0.000 1.013 262 F CA 0.187 58.206 58.000 0.031 0.000 1.332 262 F CB 0.129 39.122 39.000 -0.011 0.000 1.108 262 F HN -0.253 nan 8.300 nan 0.000 0.679 263 D N 0.078 120.657 120.400 0.298 0.000 2.363 263 D HA 0.270 4.906 4.640 -0.007 0.000 0.258 263 D C -2.286 174.080 176.300 0.110 0.000 1.259 263 D CA -2.048 52.057 54.000 0.176 0.000 0.921 263 D CB 1.260 42.163 40.800 0.171 0.000 1.201 263 D HN -0.122 nan 8.370 nan 0.000 0.524 264 P HA -0.089 nan 4.420 nan 0.000 0.216 264 P C 1.134 178.443 177.300 0.014 0.000 1.150 264 P CA 1.062 64.182 63.100 0.032 0.000 0.837 264 P CB 0.412 32.119 31.700 0.012 0.000 0.786 265 A N -0.716 122.107 122.820 0.005 0.000 1.898 265 A HA -0.150 4.165 4.320 -0.007 0.000 0.216 265 A C 2.138 179.702 177.584 -0.034 0.000 1.181 265 A CA 1.361 53.390 52.037 -0.013 0.000 0.620 265 A CB -1.609 17.382 19.000 -0.015 0.000 0.819 265 A HN 0.170 nan 8.150 nan 0.000 0.442 266 L N -0.205 120.990 121.223 -0.048 0.000 2.056 266 L HA -0.090 4.246 4.340 -0.007 0.000 0.207 266 L C 2.616 179.426 176.870 -0.100 0.000 1.078 266 L CA 2.499 57.273 54.840 -0.111 0.000 0.749 266 L CB -0.642 41.297 42.059 -0.201 0.000 0.901 266 L HN 0.363 nan 8.230 nan 0.000 0.433 267 S N -1.611 114.072 115.700 -0.028 0.000 2.359 267 S HA -0.252 4.214 4.470 -0.007 0.000 0.224 267 S C 2.279 176.867 174.600 -0.021 0.000 1.035 267 S CA 1.880 60.085 58.200 0.008 0.000 1.018 267 S CB -0.650 62.593 63.200 0.071 0.000 0.876 267 S HN 0.643 nan 8.310 nan 0.000 0.448 268 S N -0.595 115.093 115.700 -0.019 0.000 2.402 268 S HA -0.112 4.354 4.470 -0.007 0.000 0.229 268 S C 2.210 176.790 174.600 -0.033 0.000 1.021 268 S CA 1.271 59.458 58.200 -0.021 0.000 0.974 268 S CB -1.013 62.179 63.200 -0.013 0.000 0.800 268 S HN 0.766 nan 8.310 nan 0.000 0.484 269 C N 0.624 119.896 119.300 -0.046 0.000 2.440 269 C HA -0.006 4.450 4.460 -0.007 0.000 0.278 269 C C 2.882 177.831 174.990 -0.068 0.000 1.295 269 C CA 0.892 59.878 59.018 -0.052 0.000 1.738 269 C CB -1.778 25.925 27.740 -0.063 0.000 1.987 269 C HN 0.780 nan 8.230 nan 0.000 0.492 270 C N 0.833 120.071 119.300 -0.104 0.000 2.440 270 C HA 0.070 4.526 4.460 -0.007 0.000 0.278 270 C C 3.107 178.015 174.990 -0.137 0.000 1.295 270 C CA 1.126 60.050 59.018 -0.157 0.000 1.738 270 C CB -1.544 26.081 27.740 -0.192 0.000 1.987 270 C HN 0.760 nan 8.230 nan 0.000 0.492 271 A N 0.956 123.722 122.820 -0.090 0.000 1.902 271 A HA -0.185 4.131 4.320 -0.007 0.000 0.217 271 A C 1.748 179.304 177.584 -0.047 0.000 1.181 271 A CA 2.096 54.088 52.037 -0.075 0.000 0.623 271 A CB -0.523 18.447 19.000 -0.049 0.000 0.818 271 A HN 0.527 nan 8.150 nan 0.000 0.443 272 D N 0.028 120.413 120.400 -0.025 0.000 2.149 272 D HA 0.020 4.656 4.640 -0.007 0.000 0.201 272 D C 2.168 178.484 176.300 0.026 0.000 0.972 272 D CA 1.380 55.383 54.000 0.005 0.000 0.835 272 D CB -0.409 40.393 40.800 0.004 0.000 0.966 272 D HN 0.421 nan 8.370 nan 0.000 0.476 273 A N 0.959 123.793 122.820 0.023 0.000 1.969 273 A HA 0.031 4.347 4.320 -0.007 0.000 0.218 273 A C 2.277 179.958 177.584 0.162 0.000 1.169 273 A CA 1.831 53.938 52.037 0.116 0.000 0.635 273 A CB -0.513 18.583 19.000 0.161 0.000 0.810 273 A HN 0.221 nan 8.150 nan 0.000 0.445 274 A N -0.056 122.758 122.820 -0.010 0.000 1.898 274 A HA -0.124 4.192 4.320 -0.007 0.000 0.216 274 A C 2.244 179.858 177.584 0.050 0.000 1.181 274 A CA 1.399 53.405 52.037 -0.052 0.000 0.620 274 A CB -0.414 18.477 19.000 -0.182 0.000 0.819 274 A HN 0.532 nan 8.150 nan 0.000 0.442 275 R N -0.771 119.762 120.500 0.055 0.000 2.092 275 R HA -0.022 4.314 4.340 -0.007 0.000 0.231 275 R C 2.411 178.819 176.300 0.180 0.000 1.119 275 R CA 1.241 57.417 56.100 0.126 0.000 0.970 275 R CB -0.247 30.115 30.300 0.102 0.000 0.864 275 R HN 0.460 nan 8.270 nan 0.000 0.440 276 R N 0.232 120.814 120.500 0.137 0.000 2.092 276 R HA -0.025 4.311 4.340 -0.007 0.000 0.231 276 R C 2.275 178.667 176.300 0.153 0.000 1.119 276 R CA 1.247 57.424 56.100 0.129 0.000 0.970 276 R CB -0.240 30.106 30.300 0.078 0.000 0.864 276 R HN 0.182 nan 8.270 nan 0.000 0.440 277 A N 0.126 123.038 122.820 0.154 0.000 1.930 277 A HA -0.193 4.123 4.320 -0.007 0.000 0.217 277 A C 1.899 179.594 177.584 0.185 0.000 1.175 277 A CA 0.979 53.088 52.037 0.120 0.000 0.627 277 A CB -0.581 18.535 19.000 0.192 0.000 0.815 277 A HN 0.389 nan 8.150 nan 0.000 0.443 278 Y N 0.320 120.686 120.300 0.110 0.000 2.314 278 Y HA 0.015 4.560 4.550 -0.007 0.000 0.293 278 Y C 2.612 178.619 175.900 0.179 0.000 1.129 278 Y CA 0.829 59.013 58.100 0.140 0.000 1.201 278 Y CB -0.214 38.348 38.460 0.170 0.000 0.999 278 Y HN 0.326 nan 8.280 nan 0.000 0.541 279 A N -0.773 122.227 122.820 0.299 0.000 1.933 279 A HA -0.248 4.068 4.320 -0.007 0.000 0.218 279 A C 2.013 179.700 177.584 0.171 0.000 1.175 279 A CA 1.504 53.667 52.037 0.209 0.000 0.628 279 A CB -1.462 17.649 19.000 0.185 0.000 0.814 279 A HN 0.800 nan 8.150 nan 0.000 0.444 280 W N 0.651 121.968 121.300 0.029 0.000 2.381 280 W HA -0.129 4.527 4.660 -0.007 0.000 0.301 280 W C 1.731 178.306 176.519 0.093 0.000 1.205 280 W CA 1.798 59.182 57.345 0.065 0.000 1.285 280 W CB -0.187 29.221 29.460 -0.087 0.000 1.133 280 W HN 0.257 nan 8.180 nan 0.000 0.521 281 L N 0.186 121.543 121.223 0.222 0.000 2.079 281 L HA -0.129 4.207 4.340 -0.007 0.000 0.210 281 L C 2.625 179.467 176.870 -0.047 0.000 1.081 281 L CA 1.478 56.318 54.840 -0.001 0.000 0.752 281 L CB -1.515 40.348 42.059 -0.326 0.000 0.896 281 L HN 0.218 nan 8.230 nan 0.000 0.433 282 G N -0.754 107.978 108.800 -0.114 0.000 2.484 282 G HA2 -0.052 3.903 3.960 -0.007 0.000 0.218 282 G HA3 -0.052 3.903 3.960 -0.007 0.000 0.218 282 G C 1.399 176.230 174.900 -0.115 0.000 1.130 282 G CA 0.641 45.690 45.100 -0.085 0.000 0.784 282 G HN 0.455 nan 8.290 nan 0.000 0.543 283 A N -0.644 122.058 122.820 -0.197 0.000 2.387 283 A HA 0.544 4.860 4.320 -0.007 0.000 0.234 283 A C 0.279 177.417 177.584 -0.742 0.000 1.253 283 A CA -0.191 51.614 52.037 -0.386 0.000 0.894 283 A CB 0.086 18.856 19.000 -0.383 0.000 0.963 283 A HN 0.418 nan 8.150 nan 0.000 0.508 284 H N -1.577 117.236 119.070 -0.429 0.000 2.907 284 H HA 0.544 5.096 4.556 -0.007 0.000 0.361 284 H C -0.725 174.496 175.328 -0.178 0.000 1.194 284 H CA -0.638 55.123 56.048 -0.479 0.000 1.152 284 H CB 1.039 30.076 29.762 -1.209 0.000 1.867 284 H HN 0.285 nan 8.280 nan 0.000 0.561 285 E N 1.117 121.327 120.200 0.017 0.000 2.216 285 E HA 0.208 4.554 4.350 -0.007 0.000 0.279 285 E C -0.449 176.099 176.600 -0.086 0.000 0.997 285 E CA -0.668 55.716 56.400 -0.026 0.000 0.817 285 E CB 0.822 30.512 29.700 -0.016 0.000 1.096 285 E HN 0.483 nan 8.360 nan 0.000 0.393 286 M N 4.086 123.478 119.600 -0.346 0.000 3.588 286 M HA -0.012 4.464 4.480 -0.007 0.000 0.197 286 M C -0.280 175.882 176.300 -0.230 0.000 1.623 286 M CA 0.301 55.202 55.300 -0.665 0.000 1.718 286 M CB -0.355 31.847 32.600 -0.663 0.000 1.187 286 M HN 0.273 nan 8.290 nan 0.000 0.541 287 Q N 2.993 122.769 119.800 -0.041 0.000 2.303 287 Q HA 0.391 4.727 4.340 -0.007 0.000 0.257 287 Q C -2.502 173.554 176.000 0.094 0.000 0.941 287 Q CA -1.804 54.031 55.803 0.053 0.000 0.931 287 Q CB 1.060 29.859 28.738 0.103 0.000 1.215 287 Q HN 0.145 nan 8.270 nan 0.000 0.437 288 P HA 0.043 nan 4.420 nan 0.000 0.268 288 P C -1.147 176.067 177.300 -0.144 0.000 1.205 288 P CA -0.071 63.018 63.100 -0.018 0.000 0.771 288 P CB 0.248 31.908 31.700 -0.067 0.000 0.858 289 F N 4.135 123.915 119.950 -0.283 0.000 2.429 289 F HA 0.244 4.767 4.527 -0.007 0.000 0.348 289 F C 0.407 175.834 175.800 -0.622 0.000 1.109 289 F CA 0.377 58.144 58.000 -0.388 0.000 1.232 289 F CB 0.448 39.100 39.000 -0.581 0.000 1.157 289 F HN 0.345 nan 8.300 nan 0.000 0.564 290 H N 3.361 121.802 119.070 -1.049 0.000 2.768 290 H HA 0.207 4.759 4.556 -0.007 0.000 0.371 290 H C -0.693 173.918 175.328 -1.195 0.000 1.151 290 H CA -1.139 54.439 56.048 -0.783 0.000 1.165 290 H CB 1.207 30.735 29.762 -0.390 0.000 1.722 290 H HN 0.481 nan 8.280 nan 0.000 0.543 291 N N 3.304 121.735 118.700 -0.449 0.000 2.411 291 N HA 0.045 4.781 4.740 -0.007 0.000 0.261 291 N C -2.197 173.126 175.510 -0.311 0.000 1.248 291 N CA -0.691 52.196 53.050 -0.272 0.000 0.885 291 N CB 0.257 38.719 38.487 -0.043 0.000 1.062 291 N HN 0.328 nan 8.380 nan 0.000 0.471 292 P HA 0.124 nan 4.420 nan 0.000 0.274 292 P C -0.724 176.453 177.300 -0.205 0.000 1.237 292 P CA -0.330 62.503 63.100 -0.446 0.000 0.793 292 P CB 0.525 31.509 31.700 -1.194 0.000 0.977 293 D N 0.465 120.843 120.400 -0.036 0.000 2.487 293 D HA 0.295 4.931 4.640 -0.007 0.000 0.243 293 D C 1.578 177.957 176.300 0.132 0.000 1.154 293 D CA 1.771 55.806 54.000 0.059 0.000 0.876 293 D CB -0.131 40.725 40.800 0.094 0.000 1.161 293 D HN 0.676 nan 8.370 nan 0.000 0.478 294 G N 2.010 110.859 108.800 0.082 0.000 2.254 294 G HA2 -0.224 3.732 3.960 -0.007 0.000 0.225 294 G HA3 -0.224 3.732 3.960 -0.007 0.000 0.225 294 G C 0.200 175.140 174.900 0.066 0.000 1.003 294 G CA -0.422 44.736 45.100 0.098 0.000 0.622 294 G HN 0.462 nan 8.290 nan 0.000 0.507 295 I N 1.389 121.977 120.570 0.030 0.000 2.304 295 I HA 0.518 4.684 4.170 -0.007 0.000 0.291 295 I C 0.870 176.971 176.117 -0.026 0.000 1.018 295 I CA -0.478 60.819 61.300 -0.005 0.000 1.260 295 I CB 1.138 39.121 38.000 -0.028 0.000 1.390 295 I HN 0.018 nan 8.210 nan 0.000 0.475 296 L N 4.867 126.049 121.223 -0.069 0.000 2.858 296 L HA 0.107 4.443 4.340 -0.007 0.000 0.251 296 L C 1.306 178.056 176.870 -0.200 0.000 1.149 296 L CA 0.284 55.077 54.840 -0.079 0.000 0.955 296 L CB 0.057 42.089 42.059 -0.045 0.000 1.289 296 L HN 0.670 nan 8.230 nan 0.000 0.542 297 T N -2.320 112.044 114.554 -0.316 0.000 2.726 297 T HA 0.415 4.761 4.350 -0.007 0.000 0.294 297 T C 0.927 175.640 174.700 0.023 0.000 1.013 297 T CA -0.217 61.580 62.100 -0.505 0.000 0.996 297 T CB 0.542 69.209 68.868 -0.334 0.000 1.016 297 T HN 0.203 nan 8.240 nan 0.000 0.529 298 G N -0.149 108.795 108.800 0.240 0.000 2.109 298 G HA2 0.026 3.982 3.960 -0.007 0.000 0.249 298 G HA3 0.026 3.982 3.960 -0.007 0.000 0.249 298 G C 0.534 175.455 174.900 0.035 0.000 1.126 298 G CA -0.088 45.003 45.100 -0.015 0.000 0.923 298 G HN 0.951 nan 8.290 nan 0.000 0.439 299 E N 2.110 122.289 120.200 -0.035 0.000 2.086 299 E HA -0.080 4.266 4.350 -0.007 0.000 0.190 299 E C 0.071 176.848 176.600 0.295 0.000 0.975 299 E CA -0.122 56.403 56.400 0.208 0.000 0.813 299 E CB -0.066 29.729 29.700 0.158 0.000 0.768 299 E HN 0.627 nan 8.360 nan 0.000 0.457 300 Y N -0.546 119.726 120.300 -0.045 0.000 3.037 300 Y HA -0.226 4.320 4.550 -0.007 0.000 0.204 300 Y C 0.434 176.523 175.900 0.316 0.000 1.275 300 Y CA 0.360 58.346 58.100 -0.190 0.000 1.066 300 Y CB -1.893 36.201 38.460 -0.610 0.000 1.305 300 Y HN 0.139 nan 8.280 nan 0.000 0.499 301 G N 0.135 109.185 108.800 0.417 0.000 2.599 301 G HA2 0.472 4.428 3.960 -0.007 0.000 0.264 301 G HA3 0.472 4.428 3.960 -0.007 0.000 0.264 301 G C -0.830 174.277 174.900 0.345 0.000 1.200 301 G CA 0.382 45.679 45.100 0.328 0.000 0.896 301 G HN 0.279 nan 8.290 nan 0.000 0.536 302 D N -1.875 118.642 120.400 0.195 0.000 2.746 302 D HA 0.415 5.051 4.640 -0.007 0.000 0.211 302 D C 0.434 176.783 176.300 0.083 0.000 1.242 302 D CA 0.136 54.220 54.000 0.140 0.000 0.790 302 D CB 1.226 42.146 40.800 0.200 0.000 1.744 302 D HN 0.456 nan 8.370 nan 0.000 0.520 303 A N 2.940 125.791 122.820 0.053 0.000 2.115 303 A HA 0.231 4.547 4.320 -0.007 0.000 0.211 303 A C 0.758 178.364 177.584 0.037 0.000 1.169 303 A CA 0.480 52.542 52.037 0.042 0.000 0.787 303 A CB 0.058 19.082 19.000 0.040 0.000 0.858 303 A HN 0.331 nan 8.150 nan 0.000 0.474 304 E N -0.027 120.199 120.200 0.043 0.000 2.134 304 E HA 0.546 4.892 4.350 -0.007 0.000 0.278 304 E C -0.150 176.498 176.600 0.081 0.000 0.959 304 E CA -0.143 56.284 56.400 0.045 0.000 0.783 304 E CB 0.740 30.462 29.700 0.037 0.000 1.095 304 E HN 0.266 nan 8.360 nan 0.000 0.399 305 L N 4.360 125.626 121.223 0.072 0.000 3.016 305 L HA 0.350 4.685 4.340 -0.007 0.000 0.267 305 L C 1.660 178.639 176.870 0.181 0.000 1.182 305 L CA -0.217 54.709 54.840 0.143 0.000 0.997 305 L CB 0.180 42.285 42.059 0.078 0.000 1.354 305 L HN 0.464 nan 8.230 nan 0.000 0.569 306 R N 0.856 121.431 120.500 0.124 0.000 2.115 306 R HA -0.106 4.230 4.340 -0.007 0.000 0.226 306 R C 1.717 178.122 176.300 0.175 0.000 1.100 306 R CA 1.553 57.737 56.100 0.140 0.000 0.980 306 R CB -0.069 30.288 30.300 0.096 0.000 0.875 306 R HN 0.459 nan 8.270 nan 0.000 0.445 307 D N 0.264 120.765 120.400 0.169 0.000 2.269 307 D HA -0.141 4.495 4.640 -0.007 0.000 0.208 307 D C 1.039 177.492 176.300 0.255 0.000 0.963 307 D CA 0.839 54.947 54.000 0.179 0.000 0.864 307 D CB 0.045 40.929 40.800 0.140 0.000 0.936 307 D HN 0.133 nan 8.370 nan 0.000 0.505 308 E N 0.370 120.742 120.200 0.286 0.000 2.072 308 E HA -0.021 4.325 4.350 -0.007 0.000 0.190 308 E C 1.970 178.751 176.600 0.302 0.000 0.982 308 E CA 0.210 56.812 56.400 0.337 0.000 0.803 308 E CB -0.326 29.571 29.700 0.328 0.000 0.755 308 E HN 0.164 nan 8.360 nan 0.000 0.453 309 L N 0.669 122.080 121.223 0.313 0.000 2.083 309 L HA -0.098 4.238 4.340 -0.007 0.000 0.209 309 L C 1.978 179.018 176.870 0.283 0.000 1.083 309 L CA 1.234 56.249 54.840 0.292 0.000 0.752 309 L CB -0.565 41.682 42.059 0.313 0.000 0.899 309 L HN 0.234 nan 8.230 nan 0.000 0.433 310 L N -1.007 120.366 121.223 0.251 0.000 1.989 310 L HA -0.230 4.106 4.340 -0.007 0.000 0.211 310 L C 2.258 179.282 176.870 0.256 0.000 1.071 310 L CA 2.201 57.167 54.840 0.210 0.000 0.749 310 L CB -1.835 40.312 42.059 0.148 0.000 0.890 310 L HN 0.581 nan 8.230 nan 0.000 0.431 311 W N 0.891 122.232 121.300 0.068 0.000 2.358 311 W HA -0.108 4.548 4.660 -0.007 0.000 0.303 311 W C 2.448 178.986 176.519 0.031 0.000 1.208 311 W CA 2.348 59.720 57.345 0.045 0.000 1.274 311 W CB -0.940 28.560 29.460 0.068 0.000 1.138 311 W HN 0.351 nan 8.180 nan 0.000 0.515 312 A N -0.284 122.581 122.820 0.074 0.000 1.933 312 A HA -0.174 4.142 4.320 -0.007 0.000 0.218 312 A C 2.145 179.727 177.584 -0.003 0.000 1.175 312 A CA 2.286 54.296 52.037 -0.046 0.000 0.628 312 A CB -1.027 18.033 19.000 0.100 0.000 0.814 312 A HN 0.239 nan 8.150 nan 0.000 0.444 313 S N -1.127 114.669 115.700 0.160 0.000 2.371 313 S HA -0.143 4.323 4.470 -0.007 0.000 0.224 313 S C 1.885 176.444 174.600 -0.067 0.000 1.029 313 S CA 1.256 59.507 58.200 0.084 0.000 0.978 313 S CB -0.563 62.835 63.200 0.331 0.000 0.833 313 S HN 0.710 nan 8.310 nan 0.000 0.466 314 C N 1.814 121.140 119.300 0.042 0.000 2.450 314 C HA 0.172 4.628 4.460 -0.007 0.000 0.279 314 C C 2.985 177.945 174.990 -0.051 0.000 1.335 314 C CA 0.295 59.346 59.018 0.056 0.000 1.749 314 C CB -1.463 26.360 27.740 0.138 0.000 1.963 314 C HN 0.664 nan 8.230 nan 0.000 0.501 315 A N 0.373 123.132 122.820 -0.103 0.000 1.898 315 A HA -0.042 4.274 4.320 -0.007 0.000 0.216 315 A C 2.056 179.433 177.584 -0.344 0.000 1.181 315 A CA 1.274 53.195 52.037 -0.192 0.000 0.620 315 A CB -0.498 18.348 19.000 -0.258 0.000 0.819 315 A HN 0.594 nan 8.150 nan 0.000 0.442 316 L N -0.855 120.028 121.223 -0.566 0.000 2.217 316 L HA -0.081 4.255 4.340 -0.007 0.000 0.211 316 L C 2.447 178.719 176.870 -0.996 0.000 1.107 316 L CA 0.616 54.907 54.840 -0.915 0.000 0.783 316 L CB -0.387 40.728 42.059 -1.574 0.000 0.919 316 L HN 0.485 nan 8.230 nan 0.000 0.442 317 L N 0.217 121.021 121.223 -0.699 0.000 2.017 317 L HA -0.218 4.118 4.340 -0.007 0.000 0.208 317 L C 2.692 179.452 176.870 -0.182 0.000 1.073 317 L CA 1.814 56.474 54.840 -0.301 0.000 0.745 317 L CB -0.458 41.598 42.059 -0.005 0.000 0.894 317 L HN 0.105 nan 8.230 nan 0.000 0.432 318 R N -1.091 119.307 120.500 -0.171 0.000 2.090 318 R HA -0.119 4.217 4.340 -0.007 0.000 0.228 318 R C 2.370 178.592 176.300 -0.130 0.000 1.110 318 R CA 1.532 57.558 56.100 -0.125 0.000 0.973 318 R CB -0.300 29.934 30.300 -0.111 0.000 0.869 318 R HN 0.475 nan 8.270 nan 0.000 0.440 319 M N 0.295 119.784 119.600 -0.185 0.000 2.117 319 M HA -0.149 4.327 4.480 -0.007 0.000 0.262 319 M C 1.697 177.929 176.300 -0.114 0.000 1.065 319 M CA 2.357 57.566 55.300 -0.151 0.000 1.114 319 M CB 0.001 32.483 32.600 -0.197 0.000 1.361 319 M HN 0.303 nan 8.290 nan 0.000 0.408 320 T N -3.900 110.572 114.554 -0.137 0.000 3.031 320 T HA 0.250 4.596 4.350 -0.007 0.000 0.254 320 T C 1.496 176.198 174.700 0.003 0.000 1.060 320 T CA 0.775 62.851 62.100 -0.039 0.000 1.135 320 T CB -0.180 68.710 68.868 0.038 0.000 0.896 320 T HN 0.614 nan 8.240 nan 0.000 0.472 321 G N 1.742 110.535 108.800 -0.012 0.000 2.155 321 G HA2 -0.249 3.707 3.960 -0.007 0.000 0.257 321 G HA3 -0.249 3.707 3.960 -0.007 0.000 0.257 321 G C -0.173 174.765 174.900 0.064 0.000 0.983 321 G CA 0.263 45.369 45.100 0.011 0.000 0.676 321 G HN 0.718 nan 8.290 nan 0.000 0.528 322 D N 0.492 120.978 120.400 0.143 0.000 2.339 322 D HA 0.438 5.074 4.640 -0.007 0.000 0.256 322 D C 1.467 177.894 176.300 0.211 0.000 1.214 322 D CA 0.571 54.688 54.000 0.196 0.000 0.877 322 D CB 1.023 42.005 40.800 0.304 0.000 1.111 322 D HN 0.036 nan 8.370 nan 0.000 0.478 323 S N 3.042 118.807 115.700 0.109 0.000 2.440 323 S HA -0.184 4.282 4.470 -0.007 0.000 0.238 323 S C 1.866 176.516 174.600 0.083 0.000 1.010 323 S CA 1.309 59.562 58.200 0.089 0.000 0.972 323 S CB -0.045 63.184 63.200 0.048 0.000 0.774 323 S HN 0.590 nan 8.310 nan 0.000 0.501 324 A N -0.263 122.575 122.820 0.029 0.000 2.070 324 A HA -0.050 4.266 4.320 -0.007 0.000 0.220 324 A C 1.679 179.191 177.584 -0.120 0.000 1.159 324 A CA 1.143 53.127 52.037 -0.088 0.000 0.656 324 A CB -0.915 17.963 19.000 -0.205 0.000 0.800 324 A HN 0.816 nan 8.150 nan 0.000 0.453 325 W N -0.383 120.918 121.300 0.000 0.000 2.467 325 W HA 0.102 4.758 4.660 -0.006 0.000 0.275 325 W C 2.571 179.117 176.519 0.046 0.000 1.239 325 W CA 0.839 58.183 57.345 -0.003 0.000 1.266 325 W CB -0.074 29.363 29.460 -0.040 0.000 1.112 325 W HN 0.359 nan 8.180 nan 0.000 0.576 326 A N 0.930 123.912 122.820 0.269 0.000 2.024 326 A HA -0.204 4.112 4.320 -0.007 0.000 0.220 326 A C 2.056 179.740 177.584 0.167 0.000 1.164 326 A CA 1.346 53.529 52.037 0.243 0.000 0.643 326 A CB -0.511 18.622 19.000 0.223 0.000 0.806 326 A HN 0.211 nan 8.150 nan 0.000 0.451 327 R N -0.438 120.128 120.500 0.110 0.000 2.120 327 R HA -0.082 4.254 4.340 -0.007 0.000 0.234 327 R C 1.880 178.230 176.300 0.084 0.000 1.123 327 R CA 1.558 57.700 56.100 0.070 0.000 0.975 327 R CB -1.022 29.291 30.300 0.021 0.000 0.866 327 R HN 0.471 nan 8.270 nan 0.000 0.446 328 V N 0.252 120.240 119.914 0.123 0.000 2.500 328 V HA -0.142 3.974 4.120 -0.007 0.000 0.243 328 V C 2.613 178.804 176.094 0.162 0.000 1.039 328 V CA 1.127 63.524 62.300 0.161 0.000 1.053 328 V CB -0.405 31.566 31.823 0.248 0.000 0.695 328 V HN 0.278 nan 8.190 nan 0.000 0.463 329 C N 0.319 119.724 119.300 0.174 0.000 2.453 329 C HA -0.127 4.329 4.460 -0.007 0.000 0.277 329 C C 2.691 177.673 174.990 -0.014 0.000 1.262 329 C CA 0.877 59.958 59.018 0.105 0.000 1.718 329 C CB -0.933 26.893 27.740 0.142 0.000 2.031 329 C HN 0.605 nan 8.230 nan 0.000 0.480 330 E N 1.010 121.205 120.200 -0.009 0.000 2.106 330 E HA -0.140 4.206 4.350 -0.007 0.000 0.192 330 E C -0.543 176.050 176.600 -0.012 0.000 0.984 330 E CA 1.320 57.680 56.400 -0.067 0.000 0.806 330 E CB -0.878 28.835 29.700 0.021 0.000 0.750 330 E HN 0.551 nan 8.360 nan 0.000 0.458 331 P HA -0.121 nan 4.420 nan 0.000 0.219 331 P C 1.153 178.483 177.300 0.050 0.000 1.150 331 P CA 0.997 64.121 63.100 0.041 0.000 0.814 331 P CB 0.078 31.808 31.700 0.050 0.000 0.787 332 L N -1.724 119.533 121.223 0.055 0.000 2.156 332 L HA -0.065 4.271 4.340 -0.007 0.000 0.208 332 L C 2.167 179.086 176.870 0.082 0.000 1.095 332 L CA 0.879 55.764 54.840 0.076 0.000 0.770 332 L CB -0.691 41.426 42.059 0.096 0.000 0.914 332 L HN -0.060 nan 8.230 nan 0.000 0.439 333 L N -0.470 120.770 121.223 0.028 0.000 2.376 333 L HA -0.158 4.178 4.340 -0.007 0.000 0.219 333 L C 1.903 178.898 176.870 0.209 0.000 1.133 333 L CA 0.646 55.531 54.840 0.074 0.000 0.816 333 L CB -0.294 41.666 42.059 -0.164 0.000 0.933 333 L HN 0.221 nan 8.230 nan 0.000 0.449 334 D N -0.178 120.287 120.400 0.108 0.000 2.234 334 D HA -0.037 4.599 4.640 -0.007 0.000 0.205 334 D C 1.025 177.364 176.300 0.064 0.000 0.962 334 D CA 0.286 54.334 54.000 0.079 0.000 0.855 334 D CB 0.148 40.975 40.800 0.045 0.000 0.951 334 D HN 0.070 nan 8.370 nan 0.000 0.500 335 L N 0.949 122.225 121.223 0.088 0.000 2.499 335 L HA -0.008 4.328 4.340 -0.007 0.000 0.281 335 L C 0.819 177.707 176.870 0.030 0.000 1.234 335 L CA -0.020 54.858 54.840 0.063 0.000 0.839 335 L CB 0.295 42.406 42.059 0.087 0.000 1.104 335 L HN -0.063 nan 8.230 nan 0.000 0.500 336 D N 2.012 122.401 120.400 -0.018 0.000 2.395 336 D HA 0.159 4.795 4.640 -0.007 0.000 0.250 336 D C 0.396 176.659 176.300 -0.061 0.000 1.203 336 D CA 0.204 54.156 54.000 -0.081 0.000 0.872 336 D CB -0.251 40.504 40.800 -0.074 0.000 0.941 336 D HN 0.255 nan 8.370 nan 0.000 0.504 337 L N 1.990 123.227 121.223 0.024 0.000 2.514 337 L HA 0.082 4.418 4.340 -0.007 0.000 0.280 337 L C -1.667 175.241 176.870 0.062 0.000 1.223 337 L CA -1.218 53.672 54.840 0.084 0.000 0.864 337 L CB -0.069 42.106 42.059 0.193 0.000 1.118 337 L HN -0.088 nan 8.230 nan 0.000 0.494 338 P HA -0.098 nan 4.420 nan 0.000 0.267 338 P C -1.050 176.377 177.300 0.212 0.000 1.205 338 P CA -0.145 62.974 63.100 0.031 0.000 0.765 338 P CB 0.358 32.052 31.700 -0.010 0.000 0.828 339 W N 3.601 124.831 121.300 -0.117 0.000 1.738 339 W HA 0.306 4.962 4.660 -0.007 0.000 0.399 339 W C 0.493 176.892 176.519 -0.200 0.000 0.744 339 W CA -0.220 57.038 57.345 -0.146 0.000 1.695 339 W CB -0.553 28.825 29.460 -0.137 0.000 1.820 339 W HN 0.398 nan 8.180 nan 0.000 0.262 340 E N 0.304 120.485 120.200 -0.032 0.000 2.316 340 E HA 0.486 4.832 4.350 -0.007 0.000 0.258 340 E C -0.078 176.345 176.600 -0.296 0.000 0.952 340 E CA -1.033 55.277 56.400 -0.150 0.000 0.818 340 E CB 1.787 31.420 29.700 -0.111 0.000 1.260 340 E HN -0.007 nan 8.360 nan 0.000 0.416 341 L N 1.755 122.784 121.223 -0.324 0.000 3.073 341 L HA 0.357 4.693 4.340 -0.007 0.000 0.242 341 L C 0.479 177.327 176.870 -0.036 0.000 1.317 341 L CA -0.267 54.276 54.840 -0.495 0.000 1.081 341 L CB -0.291 41.420 42.059 -0.581 0.000 1.456 341 L HN 0.776 nan 8.230 nan 0.000 0.525 342 G N 0.238 109.045 108.800 0.013 0.000 2.741 342 G HA2 -0.278 3.678 3.960 -0.007 0.000 0.222 342 G HA3 -0.278 3.678 3.960 -0.007 0.000 0.222 342 G C 0.288 175.204 174.900 0.028 0.000 1.364 342 G CA 0.091 45.248 45.100 0.095 0.000 0.866 342 G HN 0.516 nan 8.290 nan 0.000 0.555 343 W N -1.237 120.089 121.300 0.043 0.000 2.584 343 W HA 0.362 5.018 4.660 -0.007 0.000 0.264 343 W C 1.914 178.448 176.519 0.025 0.000 1.264 343 W CA 1.755 59.074 57.345 -0.044 0.000 1.306 343 W CB -1.132 28.130 29.460 -0.330 0.000 1.110 343 W HN 1.099 nan 8.180 nan 0.000 0.606 344 A N 0.760 123.204 122.820 -0.627 0.000 1.984 344 A HA -0.007 4.309 4.320 -0.007 0.000 0.214 344 A C 0.520 178.006 177.584 -0.164 0.000 1.173 344 A CA 0.856 52.577 52.037 -0.528 0.000 0.673 344 A CB -0.496 17.878 19.000 -1.045 0.000 0.830 344 A HN 0.071 nan 8.150 nan 0.000 0.453 345 D N 0.693 120.999 120.400 -0.156 0.000 2.464 345 D HA 0.354 4.990 4.640 -0.007 0.000 0.243 345 D C 0.167 176.450 176.300 -0.028 0.000 1.104 345 D CA -0.044 53.919 54.000 -0.062 0.000 0.883 345 D CB 1.583 42.330 40.800 -0.089 0.000 1.050 345 D HN 0.196 nan 8.370 nan 0.000 0.524 346 V N -0.552 119.383 119.914 0.036 0.000 3.214 346 V HA 0.346 4.462 4.120 -0.007 0.000 0.330 346 V C 1.734 177.773 176.094 -0.091 0.000 1.403 346 V CA 0.017 62.327 62.300 0.017 0.000 1.143 346 V CB 0.511 32.410 31.823 0.127 0.000 1.098 346 V HN 0.355 nan 8.190 nan 0.000 0.463 347 A N 1.094 123.869 122.820 -0.074 0.000 1.978 347 A HA -0.126 4.190 4.320 -0.007 0.000 0.220 347 A C 1.965 179.309 177.584 -0.399 0.000 1.170 347 A CA 2.210 54.161 52.037 -0.143 0.000 0.636 347 A CB -0.401 18.599 19.000 0.001 0.000 0.810 347 A HN 0.582 nan 8.150 nan 0.000 0.448 348 L N -1.527 119.439 121.223 -0.427 0.000 2.141 348 L HA -0.091 4.245 4.340 -0.007 0.000 0.209 348 L C 2.184 178.729 176.870 -0.540 0.000 1.094 348 L CA 1.646 56.172 54.840 -0.523 0.000 0.763 348 L CB -0.766 41.024 42.059 -0.448 0.000 0.908 348 L HN 0.484 nan 8.230 nan 0.000 0.437 349 Y N -0.502 119.461 120.300 -0.561 0.000 2.224 349 Y HA -0.116 4.430 4.550 -0.007 0.000 0.289 349 Y C 2.507 178.162 175.900 -0.409 0.000 1.146 349 Y CA 1.415 59.111 58.100 -0.674 0.000 1.182 349 Y CB -1.256 36.261 38.460 -1.572 0.000 0.983 349 Y HN 0.222 nan 8.280 nan 0.000 0.524 350 G N -0.581 108.111 108.800 -0.180 0.000 2.402 350 G HA2 -0.197 3.759 3.960 -0.007 0.000 0.216 350 G HA3 -0.197 3.759 3.960 -0.007 0.000 0.216 350 G C 1.816 176.651 174.900 -0.108 0.000 1.162 350 G CA 1.226 46.342 45.100 0.027 0.000 0.777 350 G HN 0.281 nan 8.290 nan 0.000 0.539 351 V N 1.196 120.899 119.914 -0.351 0.000 2.332 351 V HA -0.209 3.907 4.120 -0.007 0.000 0.248 351 V C 2.948 178.951 176.094 -0.152 0.000 1.055 351 V CA 1.774 63.819 62.300 -0.426 0.000 1.038 351 V CB -0.349 30.975 31.823 -0.831 0.000 0.651 351 V HN 0.270 nan 8.190 nan 0.000 0.450 352 M N -0.649 118.869 119.600 -0.136 0.000 2.156 352 M HA -0.093 4.383 4.480 -0.007 0.000 0.264 352 M C 1.969 178.276 176.300 0.011 0.000 1.067 352 M CA 1.477 56.751 55.300 -0.043 0.000 1.131 352 M CB -1.301 31.273 32.600 -0.044 0.000 1.368 352 M HN 0.337 nan 8.290 nan 0.000 0.416 353 D N -0.943 119.474 120.400 0.029 0.000 2.178 353 D HA -0.170 4.466 4.640 -0.007 0.000 0.202 353 D C 1.877 178.199 176.300 0.037 0.000 0.974 353 D CA 1.022 55.033 54.000 0.018 0.000 0.841 353 D CB -0.280 40.545 40.800 0.042 0.000 0.953 353 D HN 0.423 nan 8.370 nan 0.000 0.478 354 Y N 0.726 120.994 120.300 -0.053 0.000 2.220 354 Y HA -0.104 4.442 4.550 -0.007 0.000 0.291 354 Y C 1.921 177.800 175.900 -0.034 0.000 1.129 354 Y CA 0.842 58.917 58.100 -0.042 0.000 1.161 354 Y CB -0.131 38.299 38.460 -0.051 0.000 0.997 354 Y HN -0.160 nan 8.280 nan 0.000 0.522 355 L N 0.569 121.795 121.223 0.006 0.000 2.291 355 L HA -0.041 4.295 4.340 -0.007 0.000 0.214 355 L C 1.931 178.750 176.870 -0.085 0.000 1.120 355 L CA 1.488 56.293 54.840 -0.059 0.000 0.799 355 L CB -0.580 41.498 42.059 0.032 0.000 0.925 355 L HN 0.167 nan 8.230 nan 0.000 0.446 356 R N -1.854 118.608 120.500 -0.063 0.000 2.334 356 R HA 0.129 4.465 4.340 -0.007 0.000 0.216 356 R C 0.298 176.545 176.300 -0.087 0.000 0.905 356 R CA -0.049 56.015 56.100 -0.059 0.000 1.064 356 R CB -0.039 30.244 30.300 -0.028 0.000 1.046 356 R HN 0.171 nan 8.270 nan 0.000 0.508 357 T N 3.196 117.672 114.554 -0.130 0.000 2.901 357 T HA 0.138 4.484 4.350 -0.007 0.000 0.301 357 T C -2.339 172.280 174.700 -0.135 0.000 1.012 357 T CA -1.140 60.879 62.100 -0.135 0.000 1.135 357 T CB 1.085 69.850 68.868 -0.171 0.000 0.936 357 T HN -0.090 nan 8.240 nan 0.000 0.539 358 P HA 0.021 nan 4.420 nan 0.000 0.260 358 P C 0.750 177.997 177.300 -0.089 0.000 1.172 358 P CA -0.050 63.005 63.100 -0.075 0.000 0.760 358 P CB 0.369 32.039 31.700 -0.049 0.000 0.773 359 R N 3.194 123.644 120.500 -0.084 0.000 2.285 359 R HA -0.024 4.312 4.340 -0.007 0.000 0.213 359 R C 1.450 177.717 176.300 -0.056 0.000 1.068 359 R CA 1.233 57.280 56.100 -0.088 0.000 1.004 359 R CB -0.737 29.523 30.300 -0.066 0.000 0.873 359 R HN 0.369 nan 8.270 nan 0.000 0.467 360 A N 1.463 124.260 122.820 -0.040 0.000 2.016 360 A HA 0.200 4.516 4.320 -0.007 0.000 0.217 360 A C 2.140 179.717 177.584 -0.013 0.000 1.162 360 A CA 0.907 52.932 52.037 -0.020 0.000 0.662 360 A CB -0.185 18.806 19.000 -0.014 0.000 0.812 360 A HN 0.455 nan 8.150 nan 0.000 0.450 361 A N -0.724 122.084 122.820 -0.020 0.000 2.327 361 A HA 0.530 4.846 4.320 -0.007 0.000 0.228 361 A C 0.143 177.731 177.584 0.006 0.000 1.275 361 A CA 0.138 52.176 52.037 0.002 0.000 0.875 361 A CB -0.253 18.753 19.000 0.010 0.000 0.925 361 A HN 0.291 nan 8.150 nan 0.000 0.493 362 V N -0.654 119.250 119.914 -0.017 0.000 2.888 362 V HA 0.319 4.434 4.120 -0.007 0.000 0.309 362 V C 0.151 176.263 176.094 0.031 0.000 1.114 362 V CA -0.727 61.566 62.300 -0.013 0.000 0.940 362 V CB 2.056 33.749 31.823 -0.217 0.000 1.021 362 V HN 0.242 nan 8.190 nan 0.000 0.426 363 S N 2.231 117.993 115.700 0.103 0.000 2.481 363 S HA 0.037 4.503 4.470 -0.007 0.000 0.282 363 S C 0.875 175.535 174.600 0.100 0.000 1.243 363 S CA -0.306 57.954 58.200 0.099 0.000 1.078 363 S CB 0.191 63.462 63.200 0.118 0.000 0.916 363 S HN 0.746 nan 8.310 nan 0.000 0.495 364 D N 3.887 124.324 120.400 0.061 0.000 2.219 364 D HA -0.062 4.574 4.640 -0.007 0.000 0.205 364 D C 1.171 177.514 176.300 0.072 0.000 0.970 364 D CA 0.940 54.972 54.000 0.053 0.000 0.851 364 D CB -0.003 40.816 40.800 0.031 0.000 0.943 364 D HN 0.604 nan 8.370 nan 0.000 0.488 365 D N -0.165 120.279 120.400 0.074 0.000 2.123 365 D HA -0.076 4.559 4.640 -0.007 0.000 0.200 365 D C 2.284 178.642 176.300 0.096 0.000 0.976 365 D CA 0.439 54.482 54.000 0.073 0.000 0.831 365 D CB -0.152 40.683 40.800 0.058 0.000 0.974 365 D HN 0.074 nan 8.370 nan 0.000 0.469 366 V N 0.846 120.836 119.914 0.127 0.000 2.358 366 V HA -0.180 3.936 4.120 -0.007 0.000 0.246 366 V C 2.521 178.748 176.094 0.221 0.000 1.047 366 V CA 1.345 63.738 62.300 0.154 0.000 1.035 366 V CB -0.439 31.483 31.823 0.165 0.000 0.658 366 V HN 0.104 nan 8.190 nan 0.000 0.452 367 R N 0.418 121.077 120.500 0.266 0.000 2.091 367 R HA -0.193 4.143 4.340 -0.007 0.000 0.238 367 R C 2.209 178.618 176.300 0.182 0.000 1.136 367 R CA 2.013 58.279 56.100 0.276 0.000 0.959 367 R CB -0.211 30.160 30.300 0.119 0.000 0.856 367 R HN 0.522 nan 8.270 nan 0.000 0.437 368 N N 0.529 119.305 118.700 0.126 0.000 2.188 368 N HA -0.119 4.617 4.740 -0.007 0.000 0.184 368 N C 1.394 176.966 175.510 0.103 0.000 1.018 368 N CA 1.082 54.190 53.050 0.097 0.000 0.858 368 N CB -0.067 38.461 38.487 0.069 0.000 0.989 368 N HN 0.206 nan 8.380 nan 0.000 0.426 369 K N 0.323 120.789 120.400 0.110 0.000 2.057 369 K HA -0.032 4.284 4.320 -0.007 0.000 0.207 369 K C 1.742 178.431 176.600 0.148 0.000 1.049 369 K CA 0.774 57.121 56.287 0.100 0.000 0.931 369 K CB -0.047 32.505 32.500 0.087 0.000 0.714 369 K HN -0.027 nan 8.250 nan 0.000 0.440 370 V N 1.497 121.544 119.914 0.223 0.000 2.307 370 V HA -0.245 3.871 4.120 -0.007 0.000 0.245 370 V C 1.964 178.250 176.094 0.319 0.000 1.045 370 V CA 1.721 64.239 62.300 0.363 0.000 1.024 370 V CB -0.316 31.683 31.823 0.293 0.000 0.651 370 V HN 0.296 nan 8.190 nan 0.000 0.449 371 K N -0.040 120.482 120.400 0.204 0.000 2.148 371 K HA -0.095 4.221 4.320 -0.007 0.000 0.204 371 K C 2.361 179.033 176.600 0.119 0.000 1.050 371 K CA 1.494 57.871 56.287 0.149 0.000 0.942 371 K CB -0.224 32.341 32.500 0.109 0.000 0.724 371 K HN 0.363 nan 8.250 nan 0.000 0.446 372 S N 0.638 116.399 115.700 0.102 0.000 2.387 372 S HA -0.078 4.388 4.470 -0.007 0.000 0.226 372 S C 1.848 176.467 174.600 0.033 0.000 1.026 372 S CA 0.772 59.007 58.200 0.059 0.000 0.972 372 S CB -0.046 63.180 63.200 0.043 0.000 0.814 372 S HN 0.280 nan 8.310 nan 0.000 0.477 373 R N 0.615 121.134 120.500 0.032 0.000 2.090 373 R HA -0.004 4.332 4.340 -0.007 0.000 0.228 373 R C 2.278 178.562 176.300 -0.026 0.000 1.110 373 R CA 0.915 56.962 56.100 -0.088 0.000 0.973 373 R CB -0.382 29.721 30.300 -0.328 0.000 0.869 373 R HN 0.325 nan 8.270 nan 0.000 0.440 374 L N 1.152 122.466 121.223 0.151 0.000 2.046 374 L HA -0.159 4.177 4.340 -0.007 0.000 0.208 374 L C 2.129 179.010 176.870 0.018 0.000 1.077 374 L CA 1.495 56.419 54.840 0.140 0.000 0.747 374 L CB -0.580 41.582 42.059 0.173 0.000 0.896 374 L HN 0.236 nan 8.230 nan 0.000 0.432 375 L N -0.482 120.764 121.223 0.038 0.000 2.046 375 L HA -0.160 4.176 4.340 -0.007 0.000 0.208 375 L C 2.641 179.529 176.870 0.029 0.000 1.077 375 L CA 1.636 56.504 54.840 0.046 0.000 0.747 375 L CB -0.594 41.505 42.059 0.068 0.000 0.896 375 L HN 0.220 nan 8.230 nan 0.000 0.432 376 R N -0.574 119.925 120.500 -0.003 0.000 2.120 376 R HA -0.112 4.224 4.340 -0.007 0.000 0.234 376 R C 2.106 178.374 176.300 -0.053 0.000 1.123 376 R CA 1.327 57.414 56.100 -0.021 0.000 0.975 376 R CB -0.269 30.003 30.300 -0.046 0.000 0.866 376 R HN 0.526 nan 8.270 nan 0.000 0.446 377 E N 0.855 121.000 120.200 -0.092 0.000 2.028 377 E HA -0.147 4.199 4.350 -0.007 0.000 0.191 377 E C 2.186 178.673 176.600 -0.188 0.000 0.988 377 E CA 0.894 57.214 56.400 -0.134 0.000 0.799 377 E CB -0.155 29.461 29.700 -0.140 0.000 0.755 377 E HN 0.312 nan 8.360 nan 0.000 0.447 378 L N 1.450 122.517 121.223 -0.259 0.000 2.127 378 L HA -0.223 4.113 4.340 -0.007 0.000 0.211 378 L C 2.089 178.789 176.870 -0.283 0.000 1.089 378 L CA 1.011 55.542 54.840 -0.514 0.000 0.757 378 L CB -0.423 41.334 42.059 -0.503 0.000 0.899 378 L HN 0.034 nan 8.230 nan 0.000 0.434 379 D N 0.071 120.459 120.400 -0.019 0.000 2.117 379 D HA -0.140 4.496 4.640 -0.007 0.000 0.197 379 D C 2.232 178.565 176.300 0.054 0.000 0.987 379 D CA 1.485 55.563 54.000 0.129 0.000 0.829 379 D CB 0.031 40.910 40.800 0.131 0.000 0.961 379 D HN 0.317 nan 8.370 nan 0.000 0.460 380 A N 0.645 123.458 122.820 -0.012 0.000 1.930 380 A HA -0.093 4.223 4.320 -0.007 0.000 0.217 380 A C 2.382 179.960 177.584 -0.010 0.000 1.175 380 A CA 0.813 52.839 52.037 -0.019 0.000 0.627 380 A CB -0.663 18.306 19.000 -0.052 0.000 0.815 380 A HN 0.205 nan 8.150 nan 0.000 0.443 381 L N -0.961 120.245 121.223 -0.028 0.000 2.141 381 L HA -0.128 4.207 4.340 -0.007 0.000 0.209 381 L C 3.028 179.980 176.870 0.138 0.000 1.094 381 L CA 0.909 55.774 54.840 0.042 0.000 0.763 381 L CB -0.593 41.483 42.059 0.029 0.000 0.908 381 L HN 0.429 nan 8.230 nan 0.000 0.437 382 A N 0.285 123.203 122.820 0.162 0.000 1.930 382 A HA -0.096 4.220 4.320 -0.007 0.000 0.217 382 A C 2.542 180.178 177.584 0.086 0.000 1.175 382 A CA 1.553 53.660 52.037 0.117 0.000 0.627 382 A CB -0.528 18.559 19.000 0.146 0.000 0.815 382 A HN 0.375 nan 8.150 nan 0.000 0.443 383 A N -0.567 122.301 122.820 0.079 0.000 1.930 383 A HA -0.067 4.249 4.320 -0.007 0.000 0.217 383 A C 2.228 179.842 177.584 0.049 0.000 1.175 383 A CA 1.639 53.712 52.037 0.061 0.000 0.627 383 A CB -0.503 18.526 19.000 0.049 0.000 0.815 383 A HN 0.526 nan 8.150 nan 0.000 0.443 384 M N -0.649 118.976 119.600 0.041 0.000 2.132 384 M HA -0.126 4.350 4.480 -0.007 0.000 0.263 384 M C 2.553 178.889 176.300 0.060 0.000 1.065 384 M CA 1.381 56.706 55.300 0.042 0.000 1.122 384 M CB -0.441 32.165 32.600 0.011 0.000 1.365 384 M HN 0.481 nan 8.290 nan 0.000 0.411 385 A N 1.215 124.054 122.820 0.031 0.000 1.933 385 A HA -0.197 4.119 4.320 -0.007 0.000 0.218 385 A C 1.890 179.512 177.584 0.062 0.000 1.175 385 A CA 1.908 53.955 52.037 0.017 0.000 0.628 385 A CB -0.819 18.149 19.000 -0.052 0.000 0.814 385 A HN 0.708 nan 8.150 nan 0.000 0.444 386 E N 0.096 120.330 120.200 0.057 0.000 2.427 386 E HA -0.066 4.280 4.350 -0.007 0.000 0.196 386 E C 1.531 178.168 176.600 0.062 0.000 1.028 386 E CA 1.130 57.564 56.400 0.057 0.000 0.864 386 E CB -0.233 29.496 29.700 0.048 0.000 0.813 386 E HN 0.627 nan 8.360 nan 0.000 0.514 387 S N -0.364 115.382 115.700 0.076 0.000 2.511 387 S HA -0.013 4.453 4.470 -0.007 0.000 0.214 387 S C 0.691 175.343 174.600 0.086 0.000 0.997 387 S CA -0.520 57.720 58.200 0.067 0.000 0.908 387 S CB -0.275 62.959 63.200 0.055 0.000 0.803 387 S HN 0.304 nan 8.310 nan 0.000 0.504 388 H N 2.822 121.916 119.070 0.039 0.000 2.580 388 H HA 0.307 4.859 4.556 -0.007 0.000 0.322 388 H C -2.069 173.283 175.328 0.041 0.000 1.082 388 H CA -1.487 54.594 56.048 0.054 0.000 1.383 388 H CB 1.741 31.534 29.762 0.052 0.000 1.450 388 H HN 0.031 nan 8.280 nan 0.000 0.505 389 P HA -0.113 nan 4.420 nan 0.000 0.219 389 P C 0.495 177.738 177.300 -0.095 0.000 1.146 389 P CA 1.225 64.249 63.100 -0.127 0.000 0.808 389 P CB 0.032 31.512 31.700 -0.366 0.000 0.779 390 F N -1.969 118.119 119.950 0.230 0.000 2.664 390 F HA 0.381 4.903 4.527 -0.007 0.000 0.303 390 F C 1.655 177.530 175.800 0.125 0.000 1.092 390 F CA 0.331 58.336 58.000 0.008 0.000 1.305 390 F CB -0.529 38.249 39.000 -0.370 0.000 1.054 390 F HN -0.068 nan 8.300 nan 0.000 0.565 391 G N 1.922 110.897 108.800 0.291 0.000 2.179 391 G HA2 -0.325 3.631 3.960 -0.007 0.000 0.257 391 G HA3 -0.325 3.631 3.960 -0.007 0.000 0.257 391 G C 0.258 175.150 174.900 -0.013 0.000 1.010 391 G CA 0.477 45.663 45.100 0.143 0.000 0.736 391 G HN 0.515 nan 8.290 nan 0.000 0.513 392 I N -2.344 118.128 120.570 -0.162 0.000 2.437 392 I HA 0.638 4.804 4.170 -0.007 0.000 0.298 392 I C -1.994 173.940 176.117 -0.305 0.000 0.984 392 I CA -3.299 57.804 61.300 -0.329 0.000 1.214 392 I CB 1.867 39.533 38.000 -0.557 0.000 1.365 392 I HN -0.134 nan 8.210 nan 0.000 0.469 393 P HA 0.198 nan 4.420 nan 0.000 0.235 393 P C -0.984 176.189 177.300 -0.212 0.000 1.765 393 P CA 0.346 63.361 63.100 -0.142 0.000 1.034 393 P CB 0.009 31.689 31.700 -0.034 0.000 1.984 394 M N 2.115 121.570 119.600 -0.242 0.000 2.575 394 M HA 0.480 4.956 4.480 -0.007 0.000 0.284 394 M C 0.311 176.621 176.300 0.016 0.000 1.253 394 M CA -0.629 54.507 55.300 -0.273 0.000 0.861 394 M CB 3.483 35.732 32.600 -0.584 0.000 1.733 394 M HN 0.133 nan 8.290 nan 0.000 0.462 395 R N -0.909 119.600 120.500 0.015 0.000 2.799 395 R HA 0.560 4.896 4.340 -0.007 0.000 0.270 395 R C -0.538 175.893 176.300 0.218 0.000 1.010 395 R CA -0.786 55.410 56.100 0.160 0.000 0.916 395 R CB 0.882 31.226 30.300 0.072 0.000 1.228 395 R HN 0.372 nan 8.270 nan 0.000 0.469 396 D N 0.716 121.267 120.400 0.251 0.000 2.133 396 D HA -0.183 4.453 4.640 -0.007 0.000 0.192 396 D C 0.737 177.177 176.300 0.234 0.000 1.001 396 D CA 1.830 56.001 54.000 0.286 0.000 0.844 396 D CB -0.071 40.806 40.800 0.129 0.000 0.944 396 D HN 0.528 nan 8.370 nan 0.000 0.447 397 D N 0.094 120.559 120.400 0.109 0.000 2.310 397 D HA -0.084 4.552 4.640 -0.007 0.000 0.212 397 D C 1.135 177.463 176.300 0.045 0.000 0.965 397 D CA 0.545 54.586 54.000 0.068 0.000 0.879 397 D CB -0.142 40.688 40.800 0.050 0.000 0.921 397 D HN 0.247 nan 8.370 nan 0.000 0.510 398 D N -0.534 119.840 120.400 -0.044 0.000 2.347 398 D HA -0.056 4.580 4.640 -0.007 0.000 0.213 398 D C 0.205 176.324 176.300 -0.302 0.000 0.985 398 D CA 0.133 54.006 54.000 -0.211 0.000 0.879 398 D CB -0.083 40.495 40.800 -0.370 0.000 0.919 398 D HN 0.224 nan 8.370 nan 0.000 0.526 399 F N 1.833 121.760 119.950 -0.037 0.000 2.661 399 F HA 0.187 4.710 4.527 -0.007 0.000 0.356 399 F C 1.197 177.001 175.800 0.007 0.000 1.244 399 F CA -0.462 57.508 58.000 -0.050 0.000 1.290 399 F CB -0.754 38.209 39.000 -0.061 0.000 1.677 399 F HN -0.125 nan 8.300 nan 0.000 0.649 400 I N -2.882 117.778 120.570 0.150 0.000 3.830 400 I HA 0.446 4.612 4.170 -0.007 0.000 0.272 400 I C -0.060 176.212 176.117 0.258 0.000 1.333 400 I CA -1.144 60.324 61.300 0.279 0.000 1.006 400 I CB 0.487 38.648 38.000 0.269 0.000 1.472 400 I HN 0.075 nan 8.210 nan 0.000 0.604 401 W N 2.594 123.973 121.300 0.133 0.000 2.417 401 W HA 0.287 4.943 4.660 -0.007 0.000 0.332 401 W C 0.899 177.467 176.519 0.082 0.000 1.413 401 W CA 0.899 58.322 57.345 0.130 0.000 1.299 401 W CB -0.248 29.332 29.460 0.201 0.000 1.304 401 W HN 0.904 nan 8.180 nan 0.000 0.565 402 G N 3.748 112.730 108.800 0.303 0.000 2.256 402 G HA2 -0.326 3.630 3.960 -0.007 0.000 0.272 402 G HA3 -0.326 3.630 3.960 -0.007 0.000 0.272 402 G C 1.062 175.780 174.900 -0.302 0.000 1.076 402 G CA 0.597 45.516 45.100 -0.301 0.000 0.882 402 G HN 1.006 nan 8.290 nan 0.000 0.497 403 S N -0.640 114.925 115.700 -0.224 0.000 2.419 403 S HA -0.144 4.322 4.470 -0.007 0.000 0.233 403 S C 1.988 176.373 174.600 -0.358 0.000 1.016 403 S CA 1.432 59.485 58.200 -0.246 0.000 0.974 403 S CB -0.115 63.026 63.200 -0.099 0.000 0.786 403 S HN 0.468 nan 8.310 nan 0.000 0.492 404 N N 1.287 119.725 118.700 -0.436 0.000 2.244 404 N HA 0.048 4.784 4.740 -0.007 0.000 0.183 404 N C 1.629 176.923 175.510 -0.360 0.000 1.016 404 N CA 1.317 54.114 53.050 -0.422 0.000 0.866 404 N CB -0.467 37.730 38.487 -0.483 0.000 0.980 404 N HN 0.510 nan 8.380 nan 0.000 0.430 405 M N 0.486 119.838 119.600 -0.412 0.000 2.200 405 M HA -0.087 4.389 4.480 -0.007 0.000 0.265 405 M C 1.507 177.735 176.300 -0.120 0.000 1.066 405 M CA 1.041 56.231 55.300 -0.182 0.000 1.127 405 M CB 0.063 32.650 32.600 -0.021 0.000 1.379 405 M HN -0.131 nan 8.290 nan 0.000 0.420 406 V N 1.254 121.063 119.914 -0.176 0.000 2.287 406 V HA -0.297 3.819 4.120 -0.007 0.000 0.248 406 V C 2.426 178.377 176.094 -0.238 0.000 1.053 406 V CA 1.839 64.024 62.300 -0.191 0.000 1.027 406 V CB -1.078 30.601 31.823 -0.239 0.000 0.646 406 V HN 0.557 nan 8.190 nan 0.000 0.447 407 L N -0.617 120.419 121.223 -0.312 0.000 2.017 407 L HA -0.115 4.221 4.340 -0.007 0.000 0.208 407 L C 2.173 178.910 176.870 -0.222 0.000 1.073 407 L CA 1.942 56.586 54.840 -0.328 0.000 0.745 407 L CB -0.586 41.209 42.059 -0.439 0.000 0.894 407 L HN 0.144 nan 8.230 nan 0.000 0.432 408 L N 0.067 121.179 121.223 -0.184 0.000 2.093 408 L HA -0.142 4.194 4.340 -0.007 0.000 0.208 408 L C 2.339 179.161 176.870 -0.079 0.000 1.085 408 L CA 1.368 56.139 54.840 -0.115 0.000 0.755 408 L CB -1.511 40.500 42.059 -0.080 0.000 0.904 408 L HN 0.356 nan 8.230 nan 0.000 0.435 409 N N -0.307 118.341 118.700 -0.087 0.000 2.166 409 N HA -0.142 4.594 4.740 -0.007 0.000 0.186 409 N C 1.944 177.372 175.510 -0.136 0.000 1.019 409 N CA 1.019 54.000 53.050 -0.114 0.000 0.856 409 N CB -0.138 38.287 38.487 -0.103 0.000 0.993 409 N HN 0.310 nan 8.380 nan 0.000 0.426 410 R N 0.236 120.668 120.500 -0.113 0.000 2.090 410 R HA 0.117 4.453 4.340 -0.007 0.000 0.228 410 R C 2.095 178.440 176.300 0.075 0.000 1.110 410 R CA 1.100 57.158 56.100 -0.070 0.000 0.973 410 R CB -0.215 30.039 30.300 -0.076 0.000 0.869 410 R HN 0.167 nan 8.270 nan 0.000 0.440 411 A N 1.094 123.937 122.820 0.038 0.000 1.930 411 A HA -0.161 4.155 4.320 -0.007 0.000 0.217 411 A C 2.117 179.767 177.584 0.111 0.000 1.175 411 A CA 1.136 53.221 52.037 0.081 0.000 0.627 411 A CB -0.400 18.577 19.000 -0.038 0.000 0.815 411 A HN 0.286 nan 8.150 nan 0.000 0.443 412 M N -0.298 119.313 119.600 0.019 0.000 2.117 412 M HA -0.124 4.352 4.480 -0.007 0.000 0.262 412 M C 2.222 178.440 176.300 -0.138 0.000 1.065 412 M CA 1.638 56.894 55.300 -0.073 0.000 1.114 412 M CB -0.216 32.193 32.600 -0.317 0.000 1.361 412 M HN 0.416 nan 8.290 nan 0.000 0.408 413 A N -0.046 122.682 122.820 -0.153 0.000 1.933 413 A HA -0.164 4.152 4.320 -0.007 0.000 0.218 413 A C 1.784 179.268 177.584 -0.166 0.000 1.175 413 A CA 1.511 53.419 52.037 -0.216 0.000 0.628 413 A CB -1.206 17.628 19.000 -0.277 0.000 0.814 413 A HN 0.590 nan 8.150 nan 0.000 0.444 414 F N -0.153 119.736 119.950 -0.102 0.000 2.134 414 F HA -0.131 4.392 4.527 -0.006 0.000 0.299 414 F C 2.096 177.879 175.800 -0.029 0.000 1.097 414 F CA 1.569 59.522 58.000 -0.078 0.000 1.264 414 F CB -0.265 38.665 39.000 -0.117 0.000 1.001 414 F HN 0.106 nan 8.300 nan 0.000 0.479 415 L N -0.913 120.432 121.223 0.203 0.000 2.179 415 L HA -0.142 4.194 4.340 -0.007 0.000 0.208 415 L C 2.225 179.235 176.870 0.233 0.000 1.096 415 L CA 0.652 55.636 54.840 0.241 0.000 0.779 415 L CB -0.585 41.716 42.059 0.403 0.000 0.922 415 L HN 0.139 nan 8.230 nan 0.000 0.443 416 L N -0.162 121.095 121.223 0.056 0.000 2.046 416 L HA -0.181 4.155 4.340 -0.007 0.000 0.208 416 L C 2.843 179.789 176.870 0.126 0.000 1.077 416 L CA 1.159 55.946 54.840 -0.089 0.000 0.747 416 L CB -0.648 41.261 42.059 -0.250 0.000 0.896 416 L HN 0.248 nan 8.230 nan 0.000 0.432 417 A N -0.385 122.479 122.820 0.074 0.000 2.019 417 A HA -0.208 4.108 4.320 -0.007 0.000 0.219 417 A C 2.102 179.776 177.584 0.150 0.000 1.164 417 A CA 1.413 53.502 52.037 0.086 0.000 0.644 417 A CB -0.405 18.612 19.000 0.028 0.000 0.805 417 A HN 0.466 nan 8.150 nan 0.000 0.449 418 E N -0.744 119.579 120.200 0.204 0.000 2.265 418 E HA -0.115 4.231 4.350 -0.007 0.000 0.196 418 E C 1.876 178.600 176.600 0.208 0.000 0.996 418 E CA 0.652 57.184 56.400 0.219 0.000 0.832 418 E CB -0.229 29.631 29.700 0.266 0.000 0.756 418 E HN 0.644 nan 8.360 nan 0.000 0.491 419 G N 0.899 109.863 108.800 0.274 0.000 2.712 419 G HA2 -0.079 3.877 3.960 -0.007 0.000 0.212 419 G HA3 -0.079 3.877 3.960 -0.007 0.000 0.212 419 G C 1.279 176.228 174.900 0.081 0.000 1.142 419 G CA 0.513 45.702 45.100 0.147 0.000 0.789 419 G HN 0.233 nan 8.290 nan 0.000 0.535 420 V N -3.467 116.511 119.914 0.106 0.000 2.988 420 V HA 0.657 4.773 4.120 -0.007 0.000 0.356 420 V C 1.252 177.381 176.094 0.059 0.000 1.380 420 V CA -0.051 62.287 62.300 0.064 0.000 1.184 420 V CB -0.335 31.526 31.823 0.062 0.000 1.204 420 V HN 0.742 nan 8.190 nan 0.000 0.530 421 G N 0.440 109.280 108.800 0.066 0.000 2.162 421 G HA2 -0.213 3.743 3.960 -0.007 0.000 0.260 421 G HA3 -0.213 3.743 3.960 -0.007 0.000 0.260 421 G C 0.079 175.022 174.900 0.072 0.000 0.976 421 G CA 0.139 45.276 45.100 0.061 0.000 0.655 421 G HN 1.064 nan 8.290 nan 0.000 0.533 422 V N 1.707 121.674 119.914 0.088 0.000 2.259 422 V HA 0.507 4.623 4.120 -0.007 0.000 0.267 422 V C 0.509 176.679 176.094 0.127 0.000 1.051 422 V CA -0.401 61.956 62.300 0.095 0.000 0.830 422 V CB 1.057 32.931 31.823 0.084 0.000 1.080 422 V HN 0.314 nan 8.190 nan 0.000 0.467 423 L N 4.742 126.040 121.223 0.125 0.000 2.314 423 L HA 0.460 4.796 4.340 -0.007 0.000 0.275 423 L C 0.325 177.294 176.870 0.165 0.000 1.068 423 L CA -0.289 54.642 54.840 0.152 0.000 0.894 423 L CB 0.252 42.384 42.059 0.122 0.000 1.275 423 L HN 0.552 nan 8.230 nan 0.000 0.432 424 H N 4.789 123.948 119.070 0.149 0.000 2.646 424 H HA 0.191 4.743 4.556 -0.007 0.000 0.325 424 H C -1.786 173.639 175.328 0.161 0.000 1.075 424 H CA -1.603 54.551 56.048 0.176 0.000 1.421 424 H CB 2.041 31.973 29.762 0.283 0.000 1.461 424 H HN 0.302 nan 8.280 nan 0.000 0.525 425 P HA -0.093 nan 4.420 nan 0.000 0.219 425 P C 0.714 178.122 177.300 0.179 0.000 1.146 425 P CA 1.449 64.592 63.100 0.071 0.000 0.808 425 P CB 0.243 31.913 31.700 -0.050 0.000 0.779 426 A N -0.796 122.252 122.820 0.380 0.000 2.275 426 A HA 0.359 4.675 4.320 -0.007 0.000 0.212 426 A C 2.110 179.580 177.584 -0.189 0.000 1.201 426 A CA 0.736 52.833 52.037 0.099 0.000 0.843 426 A CB -0.970 18.064 19.000 0.056 0.000 0.873 426 A HN 0.135 nan 8.150 nan 0.000 0.492 427 A N -0.217 122.588 122.820 -0.026 0.000 1.927 427 A HA -0.257 4.059 4.320 -0.007 0.000 0.220 427 A C 1.990 179.379 177.584 -0.325 0.000 1.185 427 A CA 1.911 53.845 52.037 -0.172 0.000 0.639 427 A CB -0.797 18.214 19.000 0.018 0.000 0.820 427 A HN 0.677 nan 8.150 nan 0.000 0.451 428 H N -1.365 117.687 119.070 -0.030 0.000 2.582 428 H HA -0.003 4.549 4.556 -0.007 0.000 0.269 428 H C 2.492 177.791 175.328 -0.050 0.000 0.962 428 H CA 1.540 57.575 56.048 -0.021 0.000 1.230 428 H CB -0.200 29.575 29.762 0.022 0.000 1.445 428 H HN 0.739 nan 8.280 nan 0.000 0.528 429 T N -1.174 113.396 114.554 0.025 0.000 2.857 429 T HA -0.052 4.294 4.350 -0.007 0.000 0.266 429 T C 2.215 176.873 174.700 -0.071 0.000 1.048 429 T CA 0.870 62.968 62.100 -0.005 0.000 1.139 429 T CB -0.816 68.049 68.868 -0.006 0.000 0.874 429 T HN -0.019 nan 8.240 nan 0.000 0.455 430 V N 2.258 122.046 119.914 -0.209 0.000 2.343 430 V HA -0.068 4.048 4.120 -0.007 0.000 0.247 430 V C 3.288 179.260 176.094 -0.203 0.000 1.051 430 V CA 1.714 63.836 62.300 -0.296 0.000 1.036 430 V CB -1.424 29.998 31.823 -0.667 0.000 0.654 430 V HN 0.702 nan 8.190 nan 0.000 0.451 431 A N -0.614 122.104 122.820 -0.171 0.000 1.933 431 A HA -0.302 4.014 4.320 -0.007 0.000 0.218 431 A C 2.162 179.694 177.584 -0.085 0.000 1.175 431 A CA 2.233 54.204 52.037 -0.109 0.000 0.628 431 A CB -0.509 18.450 19.000 -0.069 0.000 0.814 431 A HN 0.550 nan 8.150 nan 0.000 0.444 432 Q N -0.418 119.367 119.800 -0.024 0.000 2.079 432 Q HA -0.100 4.236 4.340 -0.007 0.000 0.200 432 Q C 2.150 178.168 176.000 0.030 0.000 0.974 432 Q CA 1.465 57.285 55.803 0.028 0.000 0.840 432 Q CB -0.195 28.604 28.738 0.101 0.000 0.898 432 Q HN 0.473 nan 8.270 nan 0.000 0.430 433 R N -0.043 120.476 120.500 0.031 0.000 2.120 433 R HA -0.001 4.335 4.340 -0.007 0.000 0.234 433 R C 2.049 178.318 176.300 -0.052 0.000 1.123 433 R CA 1.174 57.310 56.100 0.061 0.000 0.975 433 R CB -1.026 29.309 30.300 0.058 0.000 0.866 433 R HN 0.404 nan 8.270 nan 0.000 0.446 434 A N 0.952 123.692 122.820 -0.133 0.000 1.930 434 A HA -0.015 4.301 4.320 -0.007 0.000 0.217 434 A C 2.350 179.773 177.584 -0.269 0.000 1.175 434 A CA 1.646 53.562 52.037 -0.203 0.000 0.627 434 A CB -0.443 18.432 19.000 -0.208 0.000 0.815 434 A HN 0.320 nan 8.150 nan 0.000 0.443 435 A N 0.091 122.719 122.820 -0.319 0.000 1.897 435 A HA -0.117 4.199 4.320 -0.007 0.000 0.215 435 A C 1.742 179.025 177.584 -0.502 0.000 1.181 435 A CA 1.727 53.408 52.037 -0.593 0.000 0.620 435 A CB -0.506 18.167 19.000 -0.545 0.000 0.821 435 A HN 0.444 nan 8.150 nan 0.000 0.443 436 D N -1.269 119.041 120.400 -0.149 0.000 2.092 436 D HA -0.192 4.444 4.640 -0.007 0.000 0.193 436 D C 1.711 177.938 176.300 -0.121 0.000 0.994 436 D CA 1.761 55.767 54.000 0.009 0.000 0.828 436 D CB -0.656 40.278 40.800 0.225 0.000 0.963 436 D HN 0.604 nan 8.370 nan 0.000 0.450 437 Y N 1.003 121.117 120.300 -0.309 0.000 2.128 437 Y HA -0.231 4.315 4.550 -0.006 0.000 0.284 437 Y C 2.236 177.963 175.900 -0.287 0.000 1.154 437 Y CA 1.250 59.115 58.100 -0.392 0.000 1.149 437 Y CB -0.378 37.840 38.460 -0.402 0.000 0.976 437 Y HN -0.061 nan 8.280 nan 0.000 0.505 438 L N -0.917 120.182 121.223 -0.207 0.000 2.191 438 L HA -0.154 4.182 4.340 -0.007 0.000 0.212 438 L C 1.110 177.827 176.870 -0.256 0.000 1.103 438 L CA 1.588 56.264 54.840 -0.274 0.000 0.769 438 L CB -0.598 41.134 42.059 -0.545 0.000 0.908 438 L HN 0.215 nan 8.230 nan 0.000 0.438 439 F N -0.995 118.841 119.950 -0.190 0.000 2.664 439 F HA 0.475 4.999 4.527 -0.005 0.000 0.303 439 F C 1.733 177.364 175.800 -0.282 0.000 1.092 439 F CA -0.043 57.830 58.000 -0.211 0.000 1.305 439 F CB 0.056 38.954 39.000 -0.170 0.000 1.054 439 F HN 0.101 nan 8.300 nan 0.000 0.565 440 G N -0.468 108.200 108.800 -0.220 0.000 2.813 440 G HA2 -0.013 3.943 3.960 -0.007 0.000 0.194 440 G HA3 -0.013 3.943 3.960 -0.007 0.000 0.194 440 G C 0.547 175.278 174.900 -0.281 0.000 1.010 440 G CA -0.331 44.586 45.100 -0.304 0.000 0.771 440 G HN 0.388 nan 8.290 nan 0.000 0.485 441 A N 1.092 123.744 122.820 -0.280 0.000 2.981 441 A HA 0.602 4.918 4.320 -0.007 0.000 0.280 441 A C 0.456 177.394 177.584 -1.076 0.000 1.797 441 A CA 1.034 52.846 52.037 -0.375 0.000 1.456 441 A CB -1.366 17.417 19.000 -0.362 0.000 1.057 441 A HN 1.463 nan 8.150 nan 0.000 0.602 442 N N -0.727 117.324 118.700 -1.081 0.000 2.927 442 N HA 0.495 5.231 4.740 -0.007 0.000 0.248 442 N C -2.969 171.983 175.510 -0.931 0.000 1.443 442 N CA -1.655 50.507 53.050 -1.480 0.000 0.870 442 N CB 0.797 38.549 38.487 -1.223 0.000 1.444 442 N HN -0.163 nan 8.380 nan 0.000 0.519 443 P HA 0.000 nan 4.420 nan 0.000 0.223 443 P C 0.533 177.807 177.300 -0.042 0.000 1.144 443 P CA 0.951 63.933 63.100 -0.197 0.000 0.783 443 P CB 0.223 31.965 31.700 0.071 0.000 0.771 444 L N -2.771 118.414 121.223 -0.063 0.000 2.585 444 L HA 0.281 4.617 4.340 -0.007 0.000 0.226 444 L C 1.412 178.365 176.870 0.139 0.000 1.113 444 L CA 0.469 55.346 54.840 0.063 0.000 0.876 444 L CB -0.795 41.267 42.059 0.004 0.000 1.072 444 L HN 0.063 nan 8.230 nan 0.000 0.468 445 G N 1.004 109.939 108.800 0.225 0.000 2.225 445 G HA2 -0.352 3.604 3.960 -0.007 0.000 0.267 445 G HA3 -0.352 3.604 3.960 -0.007 0.000 0.267 445 G C 0.126 174.952 174.900 -0.123 0.000 1.024 445 G CA 0.501 45.729 45.100 0.214 0.000 0.784 445 G HN 0.412 nan 8.290 nan 0.000 0.507 446 Q N -0.250 119.342 119.800 -0.346 0.000 2.314 446 Q HA 0.558 4.894 4.340 -0.007 0.000 0.259 446 Q C 0.371 175.900 176.000 -0.785 0.000 0.951 446 Q CA -0.696 54.768 55.803 -0.566 0.000 0.909 446 Q CB 0.953 29.236 28.738 -0.758 0.000 1.236 446 Q HN 0.592 nan 8.270 nan 0.000 0.444 447 C N 6.064 125.073 119.300 -0.484 0.000 2.566 447 C HA 0.297 4.753 4.460 -0.007 0.000 0.393 447 C C 0.110 174.874 174.990 -0.378 0.000 1.309 447 C CA -0.306 58.516 59.018 -0.328 0.000 1.801 447 C CB -1.025 26.648 27.740 -0.113 0.000 2.493 447 C HN 1.006 nan 8.230 nan 0.000 0.575 448 Y N 3.838 124.027 120.300 -0.186 0.000 2.470 448 Y HA 0.274 4.820 4.550 -0.006 0.000 0.302 448 Y C 0.796 176.624 175.900 -0.121 0.000 1.194 448 Y CA -0.206 57.753 58.100 -0.235 0.000 1.271 448 Y CB 0.086 38.342 38.460 -0.341 0.000 1.092 448 Y HN 0.485 nan 8.280 nan 0.000 0.513 449 V N 0.339 120.294 119.914 0.069 0.000 2.540 449 V HA 0.209 4.325 4.120 -0.007 0.000 0.302 449 V C 0.189 176.325 176.094 0.071 0.000 1.035 449 V CA -1.332 61.007 62.300 0.064 0.000 0.873 449 V CB 1.695 33.588 31.823 0.116 0.000 0.992 449 V HN 0.285 nan 8.190 nan 0.000 0.428 450 T N 0.656 115.217 114.554 0.012 0.000 2.888 450 T HA 0.446 4.792 4.350 -0.007 0.000 0.301 450 T C 1.202 175.931 174.700 0.049 0.000 1.001 450 T CA 0.520 62.613 62.100 -0.012 0.000 1.147 450 T CB 0.898 69.700 68.868 -0.109 0.000 0.931 450 T HN 2.044 nan 8.240 nan 0.000 0.541 451 G N 1.621 110.409 108.800 -0.020 0.000 2.153 451 G HA2 -0.196 3.760 3.960 -0.007 0.000 0.252 451 G HA3 -0.196 3.760 3.960 -0.007 0.000 0.252 451 G C -0.183 174.465 174.900 -0.420 0.000 0.994 451 G CA 0.017 45.021 45.100 -0.160 0.000 0.698 451 G HN 0.749 nan 8.290 nan 0.000 0.521 452 F N -0.496 119.402 119.950 -0.087 0.000 2.599 452 F HA 0.671 5.194 4.527 -0.006 0.000 0.311 452 F C 0.925 176.648 175.800 -0.129 0.000 1.076 452 F CA 0.365 58.289 58.000 -0.127 0.000 0.937 452 F CB 1.920 40.804 39.000 -0.193 0.000 1.282 452 F HN 0.997 nan 8.300 nan 0.000 0.460 453 G N 1.945 110.778 108.800 0.054 0.000 2.693 453 G HA2 -0.205 3.751 3.960 -0.007 0.000 0.226 453 G HA3 -0.205 3.751 3.960 -0.007 0.000 0.226 453 G C -0.135 174.748 174.900 -0.028 0.000 1.354 453 G CA -0.098 44.989 45.100 -0.022 0.000 0.873 453 G HN 0.598 nan 8.290 nan 0.000 0.562 454 Q N -0.547 119.230 119.800 -0.039 0.000 2.378 454 Q HA 0.268 4.604 4.340 -0.007 0.000 0.216 454 Q C 1.702 177.683 176.000 -0.032 0.000 0.892 454 Q CA 0.905 56.702 55.803 -0.011 0.000 0.931 454 Q CB 0.620 29.385 28.738 0.045 0.000 1.086 454 Q HN 0.524 nan 8.270 nan 0.000 0.528 455 R N 1.339 121.798 120.500 -0.068 0.000 2.477 455 R HA 0.323 4.659 4.340 -0.007 0.000 0.285 455 R C -2.779 173.467 176.300 -0.090 0.000 1.415 455 R CA -2.008 54.049 56.100 -0.073 0.000 1.446 455 R CB 0.736 30.984 30.300 -0.086 0.000 1.110 455 R HN -0.030 nan 8.270 nan 0.000 0.590 456 P HA 0.050 nan 4.420 nan 0.000 0.276 456 P C -0.503 176.759 177.300 -0.064 0.000 1.252 456 P CA -0.469 62.598 63.100 -0.055 0.000 0.802 456 P CB 0.909 32.586 31.700 -0.039 0.000 1.035 457 V N 3.898 123.786 119.914 -0.044 0.000 2.479 457 V HA 0.036 4.152 4.120 -0.007 0.000 0.281 457 V C 1.718 177.755 176.094 -0.096 0.000 1.031 457 V CA 0.474 62.767 62.300 -0.012 0.000 1.038 457 V CB -0.110 31.742 31.823 0.048 0.000 0.981 457 V HN 0.527 nan 8.190 nan 0.000 0.478 458 R N 2.690 123.058 120.500 -0.219 0.000 2.175 458 R HA 0.159 4.495 4.340 -0.007 0.000 0.202 458 R C 0.238 176.148 176.300 -0.650 0.000 1.018 458 R CA 0.579 56.356 56.100 -0.538 0.000 1.029 458 R CB 0.275 30.057 30.300 -0.863 0.000 0.959 458 R HN 0.776 nan 8.270 nan 0.000 0.480 459 H N 0.871 119.945 119.070 0.006 0.000 2.348 459 H HA 0.380 4.932 4.556 -0.007 0.000 0.232 459 H C -2.473 172.891 175.328 0.059 0.000 1.419 459 H CA -2.391 53.658 56.048 0.002 0.000 1.416 459 H CB 1.012 30.733 29.762 -0.067 0.000 1.510 459 H HN -0.035 nan 8.280 nan 0.000 0.507 460 P HA 0.029 nan 4.420 nan 0.000 0.278 460 P C 0.211 177.649 177.300 0.231 0.000 1.238 460 P CA -0.314 62.897 63.100 0.185 0.000 0.794 460 P CB 0.791 32.562 31.700 0.118 0.000 0.955 461 H N 2.141 121.322 119.070 0.184 0.000 3.216 461 H HA 0.098 4.650 4.556 -0.007 0.000 0.263 461 H C -0.492 174.954 175.328 0.198 0.000 1.601 461 H CA 0.525 56.679 56.048 0.177 0.000 1.509 461 H CB -1.007 28.875 29.762 0.201 0.000 1.759 461 H HN 0.318 nan 8.280 nan 0.000 0.533 462 H N 4.929 123.950 119.070 -0.083 0.000 3.181 462 H HA 0.153 4.705 4.556 -0.007 0.000 0.331 462 H C 0.455 175.723 175.328 -0.100 0.000 0.988 462 H CA -0.839 55.178 56.048 -0.053 0.000 1.449 462 H CB 0.584 30.368 29.762 0.037 0.000 1.749 462 H HN 0.558 nan 8.280 nan 0.000 0.501 463 R N 3.155 123.365 120.500 -0.483 0.000 2.136 463 R HA -0.148 4.188 4.340 -0.007 0.000 0.242 463 R C -1.106 175.040 176.300 -0.256 0.000 1.131 463 R CA 1.698 57.559 56.100 -0.398 0.000 0.937 463 R CB -1.644 28.303 30.300 -0.588 0.000 0.863 463 R HN 0.513 nan 8.270 nan 0.000 0.435 464 P HA -0.005 nan 4.420 nan 0.000 0.218 464 P C 1.233 178.580 177.300 0.078 0.000 1.149 464 P CA 1.330 64.395 63.100 -0.059 0.000 0.817 464 P CB -0.009 31.703 31.700 0.020 0.000 0.785 465 S N -1.022 114.729 115.700 0.085 0.000 2.387 465 S HA -0.059 4.407 4.470 -0.007 0.000 0.226 465 S C 1.902 176.589 174.600 0.146 0.000 1.026 465 S CA 0.964 59.310 58.200 0.243 0.000 0.972 465 S CB -0.914 62.489 63.200 0.338 0.000 0.814 465 S HN -0.022 nan 8.310 nan 0.000 0.477 466 V N 1.777 121.727 119.914 0.059 0.000 2.488 466 V HA -0.034 4.082 4.120 -0.007 0.000 0.246 466 V C 2.583 178.698 176.094 0.034 0.000 1.046 466 V CA 1.418 63.738 62.300 0.033 0.000 1.053 466 V CB -1.102 30.705 31.823 -0.026 0.000 0.679 466 V HN 0.496 nan 8.190 nan 0.000 0.458 467 A N 1.172 124.008 122.820 0.027 0.000 1.873 467 A HA -0.136 4.180 4.320 -0.007 0.000 0.215 467 A C 1.194 178.809 177.584 0.052 0.000 1.186 467 A CA 1.422 53.480 52.037 0.035 0.000 0.616 467 A CB -0.701 18.322 19.000 0.039 0.000 0.823 467 A HN 0.713 nan 8.150 nan 0.000 0.442 468 D N -0.704 119.746 120.400 0.082 0.000 2.361 468 D HA 0.169 4.805 4.640 -0.007 0.000 0.239 468 D C -0.089 176.245 176.300 0.056 0.000 1.200 468 D CA -0.156 53.891 54.000 0.079 0.000 0.915 468 D CB 0.279 41.150 40.800 0.119 0.000 1.170 468 D HN 0.084 nan 8.370 nan 0.000 0.444 469 D N -0.302 120.117 120.400 0.030 0.000 2.319 469 D HA 0.037 4.673 4.640 -0.007 0.000 0.230 469 D C -0.493 175.813 176.300 0.010 0.000 1.094 469 D CA -0.202 53.809 54.000 0.018 0.000 0.856 469 D CB -0.060 40.743 40.800 0.005 0.000 0.915 469 D HN 0.187 nan 8.370 nan 0.000 0.517 470 V N 1.358 121.280 119.914 0.013 0.000 2.488 470 V HA 0.048 4.164 4.120 -0.007 0.000 0.277 470 V C 1.429 177.581 176.094 0.096 0.000 1.046 470 V CA -0.376 61.922 62.300 -0.003 0.000 0.986 470 V CB 1.567 33.310 31.823 -0.133 0.000 0.989 470 V HN 0.076 nan 8.190 nan 0.000 0.475 471 D N 1.780 122.246 120.400 0.109 0.000 2.097 471 D HA -0.071 4.565 4.640 -0.007 0.000 0.197 471 D C 0.470 176.813 176.300 0.071 0.000 0.984 471 D CA 1.384 55.441 54.000 0.094 0.000 0.826 471 D CB 0.188 41.041 40.800 0.089 0.000 0.973 471 D HN 0.677 nan 8.370 nan 0.000 0.460 472 H N 0.510 119.655 119.070 0.125 0.000 2.525 472 H HA 0.221 4.773 4.556 -0.007 0.000 0.339 472 H C -1.784 173.746 175.328 0.337 0.000 1.109 472 H CA -1.452 54.700 56.048 0.174 0.000 1.352 472 H CB 0.814 30.692 29.762 0.193 0.000 1.461 472 H HN 0.056 nan 8.280 nan 0.000 0.533 473 P HA -0.001 nan 4.420 nan 0.000 0.275 473 P C -0.372 176.817 177.300 -0.184 0.000 1.266 473 P CA -0.538 62.655 63.100 0.155 0.000 0.793 473 P CB 0.834 32.544 31.700 0.016 0.000 1.074 474 V N 2.421 121.969 119.914 -0.610 0.000 2.539 474 V HA -0.013 4.102 4.120 -0.007 0.000 0.300 474 V C -1.749 173.842 176.094 -0.838 0.000 1.019 474 V CA -0.308 61.189 62.300 -1.337 0.000 1.160 474 V CB -0.714 30.577 31.823 -0.887 0.000 0.901 474 V HN 0.609 nan 8.190 nan 0.000 0.481 475 P HA 0.391 nan 4.420 nan 0.000 0.276 475 P C 0.789 177.987 177.300 -0.170 0.000 1.244 475 P CA 0.559 63.440 63.100 -0.365 0.000 0.801 475 P CB 0.913 32.446 31.700 -0.278 0.000 1.006 476 G N 0.037 108.858 108.800 0.035 0.000 2.143 476 G HA2 -0.235 3.721 3.960 -0.007 0.000 0.249 476 G HA3 -0.235 3.721 3.960 -0.007 0.000 0.249 476 G C -0.027 174.729 174.900 -0.241 0.000 0.981 476 G CA -0.255 44.852 45.100 0.013 0.000 0.665 476 G HN 0.442 nan 8.290 nan 0.000 0.528 477 M N 1.130 120.513 119.600 -0.361 0.000 2.108 477 M HA 0.450 4.926 4.480 -0.007 0.000 0.354 477 M C 0.292 176.363 176.300 -0.382 0.000 1.229 477 M CA -0.475 54.420 55.300 -0.675 0.000 1.081 477 M CB 1.763 33.967 32.600 -0.661 0.000 1.606 477 M HN -0.097 nan 8.290 nan 0.000 0.467 478 V N 5.184 124.867 119.914 -0.385 0.000 2.432 478 V HA 0.192 4.308 4.120 -0.007 0.000 0.271 478 V C 0.454 176.514 176.094 -0.057 0.000 1.046 478 V CA -0.767 61.436 62.300 -0.162 0.000 0.945 478 V CB 0.827 32.575 31.823 -0.124 0.000 0.992 478 V HN 0.725 nan 8.190 nan 0.000 0.471 479 V N 3.194 123.100 119.914 -0.014 0.000 3.083 479 V HA 0.635 4.751 4.120 -0.007 0.000 0.306 479 V C 1.472 177.462 176.094 -0.174 0.000 1.077 479 V CA 0.476 62.815 62.300 0.064 0.000 1.073 479 V CB 0.794 32.716 31.823 0.165 0.000 1.081 479 V HN 0.768 nan 8.190 nan 0.000 0.474 480 G N 0.694 109.352 108.800 -0.238 0.000 2.422 480 G HA2 0.372 4.328 3.960 -0.007 0.000 0.218 480 G HA3 0.372 4.328 3.960 -0.007 0.000 0.218 480 G C 1.027 175.598 174.900 -0.548 0.000 1.146 480 G CA 0.928 45.529 45.100 -0.833 0.000 0.769 480 G HN 2.156 nan 8.290 nan 0.000 0.547 481 G N -1.003 107.590 108.800 -0.345 0.000 2.660 481 G HA2 0.006 3.962 3.960 -0.007 0.000 0.247 481 G HA3 0.006 3.962 3.960 -0.007 0.000 0.247 481 G C -3.010 171.809 174.900 -0.135 0.000 1.328 481 G CA -0.512 44.285 45.100 -0.506 0.000 0.884 481 G HN 0.293 nan 8.290 nan 0.000 0.531 482 P HA 0.221 nan 4.420 nan 0.000 0.263 482 P C -0.416 176.929 177.300 0.075 0.000 1.195 482 P CA 0.222 63.357 63.100 0.059 0.000 0.762 482 P CB 0.518 32.218 31.700 -0.001 0.000 0.799 483 N N 2.848 121.566 118.700 0.030 0.000 2.569 483 N HA 0.104 4.840 4.740 -0.007 0.000 0.254 483 N C 1.144 176.654 175.510 0.000 0.000 1.004 483 N CA -0.790 52.279 53.050 0.031 0.000 0.904 483 N CB 0.690 39.136 38.487 -0.067 0.000 1.165 483 N HN 0.191 nan 8.380 nan 0.000 0.513 484 R N 2.534 123.026 120.500 -0.014 0.000 2.193 484 R HA -0.075 4.261 4.340 -0.007 0.000 0.229 484 R C 0.073 176.261 176.300 -0.187 0.000 1.110 484 R CA 1.141 57.163 56.100 -0.130 0.000 0.988 484 R CB -0.357 29.830 30.300 -0.189 0.000 0.871 484 R HN 0.520 nan 8.270 nan 0.000 0.458 485 H N 1.426 120.505 119.070 0.016 0.000 2.556 485 H HA 0.153 4.704 4.556 -0.007 0.000 0.268 485 H C 0.392 175.704 175.328 -0.027 0.000 0.996 485 H CA 0.623 56.681 56.048 0.016 0.000 1.157 485 H CB -0.017 29.781 29.762 0.060 0.000 1.355 485 H HN 0.130 nan 8.280 nan 0.000 0.597 486 L N 1.424 122.646 121.223 -0.001 0.000 3.887 486 L HA -0.281 4.055 4.340 -0.007 0.000 0.546 486 L C 0.239 177.050 176.870 -0.099 0.000 1.196 486 L CA 0.436 55.228 54.840 -0.080 0.000 0.777 486 L CB -1.315 40.704 42.059 -0.066 0.000 1.346 486 L HN 0.348 nan 8.230 nan 0.000 0.810 487 Q N 0.792 120.486 119.800 -0.176 0.000 2.242 487 Q HA 0.145 4.481 4.340 -0.007 0.000 0.246 487 Q C -0.213 175.605 176.000 -0.304 0.000 0.883 487 Q CA 0.047 55.755 55.803 -0.158 0.000 0.984 487 Q CB 0.367 29.054 28.738 -0.085 0.000 1.096 487 Q HN 0.728 nan 8.270 nan 0.000 0.452 488 D N -2.531 117.639 120.400 -0.383 0.000 2.623 488 D HA -0.034 4.602 4.640 -0.007 0.000 0.241 488 D C 0.673 176.782 176.300 -0.317 0.000 1.241 488 D CA -0.656 53.044 54.000 -0.500 0.000 0.788 488 D CB 0.400 40.472 40.800 -1.212 0.000 1.413 488 D HN -0.076 nan 8.370 nan 0.000 0.429 489 E N 0.855 120.918 120.200 -0.229 0.000 2.085 489 E HA -0.213 4.132 4.350 -0.007 0.000 0.194 489 E C 1.652 178.133 176.600 -0.199 0.000 0.994 489 E CA 1.077 57.384 56.400 -0.154 0.000 0.801 489 E CB -0.324 29.324 29.700 -0.088 0.000 0.743 489 E HN 0.544 nan 8.360 nan 0.000 0.453 490 I N 2.041 122.440 120.570 -0.285 0.000 2.179 490 I HA -0.180 3.986 4.170 -0.007 0.000 0.242 490 I C 2.700 178.653 176.117 -0.274 0.000 1.088 490 I CA 1.322 62.419 61.300 -0.338 0.000 1.357 490 I CB -1.527 36.146 38.000 -0.545 0.000 1.051 490 I HN 0.166 nan 8.210 nan 0.000 0.409 491 A N 0.954 123.603 122.820 -0.284 0.000 1.933 491 A HA -0.183 4.133 4.320 -0.007 0.000 0.218 491 A C 2.421 179.908 177.584 -0.161 0.000 1.175 491 A CA 1.115 53.016 52.037 -0.227 0.000 0.628 491 A CB -0.406 18.439 19.000 -0.257 0.000 0.814 491 A HN 0.295 nan 8.150 nan 0.000 0.444 492 R N -0.372 120.038 120.500 -0.150 0.000 2.070 492 R HA -0.105 4.231 4.340 -0.007 0.000 0.232 492 R C 2.390 178.637 176.300 -0.087 0.000 1.138 492 R CA 1.509 57.549 56.100 -0.100 0.000 0.936 492 R CB -1.063 29.187 30.300 -0.083 0.000 0.839 492 R HN 0.496 nan 8.270 nan 0.000 0.429 493 A N 0.895 123.656 122.820 -0.099 0.000 2.121 493 A HA -0.113 4.203 4.320 -0.007 0.000 0.218 493 A C 1.850 179.387 177.584 -0.079 0.000 1.154 493 A CA 1.111 53.099 52.037 -0.082 0.000 0.679 493 A CB 0.030 18.978 19.000 -0.087 0.000 0.795 493 A HN 0.242 nan 8.150 nan 0.000 0.458 494 Q N -1.524 118.218 119.800 -0.096 0.000 2.422 494 Q HA 0.305 4.641 4.340 -0.007 0.000 0.255 494 Q C 0.899 176.856 176.000 -0.071 0.000 0.864 494 Q CA 0.535 56.288 55.803 -0.085 0.000 0.968 494 Q CB 0.302 28.976 28.738 -0.107 0.000 1.130 494 Q HN 0.620 nan 8.270 nan 0.000 0.556 495 L N 0.852 122.027 121.223 -0.080 0.000 3.017 495 L HA 0.465 4.801 4.340 -0.007 0.000 0.255 495 L C 0.242 177.079 176.870 -0.055 0.000 1.247 495 L CA -0.544 54.257 54.840 -0.065 0.000 1.038 495 L CB 0.671 42.683 42.059 -0.077 0.000 1.380 495 L HN -0.130 nan 8.230 nan 0.000 0.548 496 A N 0.302 123.092 122.820 -0.050 0.000 2.451 496 A HA 0.506 4.822 4.320 -0.007 0.000 0.266 496 A C 1.389 178.954 177.584 -0.031 0.000 1.119 496 A CA 0.704 52.718 52.037 -0.040 0.000 0.786 496 A CB -0.052 18.927 19.000 -0.035 0.000 1.061 496 A HN 0.635 nan 8.150 nan 0.000 0.503 497 G N 2.158 110.940 108.800 -0.030 0.000 2.176 497 G HA2 -0.223 3.733 3.960 -0.007 0.000 0.253 497 G HA3 -0.223 3.733 3.960 -0.007 0.000 0.253 497 G C 0.350 175.236 174.900 -0.023 0.000 0.979 497 G CA 0.453 45.539 45.100 -0.024 0.000 0.641 497 G HN 0.891 nan 8.290 nan 0.000 0.530 498 R N 1.291 121.775 120.500 -0.028 0.000 2.404 498 R HA 0.525 4.861 4.340 -0.007 0.000 0.291 498 R C -1.856 174.423 176.300 -0.035 0.000 1.025 498 R CA -1.516 54.569 56.100 -0.025 0.000 0.991 498 R CB 0.724 31.012 30.300 -0.021 0.000 1.053 498 R HN 0.121 nan 8.270 nan 0.000 0.479 499 P HA -0.092 nan 4.420 nan 0.000 0.267 499 P C 0.025 177.270 177.300 -0.091 0.000 1.201 499 P CA 0.183 63.254 63.100 -0.047 0.000 0.775 499 P CB 0.636 32.318 31.700 -0.029 0.000 0.854 500 A N 2.715 125.467 122.820 -0.114 0.000 1.958 500 A HA -0.252 4.064 4.320 -0.007 0.000 0.221 500 A C 2.179 179.556 177.584 -0.346 0.000 1.178 500 A CA 2.132 54.074 52.037 -0.159 0.000 0.642 500 A CB -1.165 17.800 19.000 -0.059 0.000 0.816 500 A HN 0.573 nan 8.150 nan 0.000 0.453 501 M N -1.054 118.241 119.600 -0.509 0.000 2.562 501 M HA -0.051 4.425 4.480 -0.007 0.000 0.257 501 M C 1.072 177.245 176.300 -0.211 0.000 1.099 501 M CA 0.956 55.914 55.300 -0.571 0.000 1.099 501 M CB 0.053 32.338 32.600 -0.525 0.000 1.427 501 M HN 0.465 nan 8.290 nan 0.000 0.489 502 E N -0.461 119.671 120.200 -0.114 0.000 2.498 502 E HA 0.173 4.519 4.350 -0.007 0.000 0.203 502 E C 0.635 177.246 176.600 0.018 0.000 1.013 502 E CA -0.212 56.180 56.400 -0.014 0.000 0.927 502 E CB 0.421 30.119 29.700 -0.002 0.000 1.012 502 E HN 0.305 nan 8.360 nan 0.000 0.482 503 A N 1.408 124.221 122.820 -0.011 0.000 2.810 503 A HA 0.058 4.374 4.320 -0.007 0.000 0.247 503 A C -0.530 177.089 177.584 0.059 0.000 1.576 503 A CA 0.172 52.205 52.037 -0.005 0.000 1.294 503 A CB -0.851 18.127 19.000 -0.037 0.000 0.976 503 A HN 0.317 nan 8.150 nan 0.000 0.631 504 Y N -1.028 119.251 120.300 -0.035 0.000 2.477 504 Y HA 0.677 5.223 4.550 -0.007 0.000 0.347 504 Y C -1.081 174.823 175.900 0.006 0.000 0.981 504 Y CA -1.450 56.649 58.100 -0.002 0.000 1.033 504 Y CB 1.399 39.917 38.460 0.096 0.000 1.245 504 Y HN 0.204 nan 8.280 nan 0.000 0.455 505 I N 5.238 125.279 120.570 -0.882 0.000 2.534 505 I HA 0.257 4.423 4.170 -0.007 0.000 0.288 505 I C -1.228 174.366 176.117 -0.871 0.000 1.077 505 I CA -0.652 60.233 61.300 -0.692 0.000 1.051 505 I CB 1.443 39.269 38.000 -0.290 0.000 1.234 505 I HN 0.745 nan 8.210 nan 0.000 0.425 506 D N 6.870 126.952 120.400 -0.531 0.000 2.600 506 D HA 0.046 4.682 4.640 -0.007 0.000 0.226 506 D C -0.773 175.555 176.300 0.047 0.000 1.119 506 D CA 0.686 54.612 54.000 -0.123 0.000 1.051 506 D CB -0.146 40.728 40.800 0.124 0.000 1.106 506 D HN 0.373 nan 8.370 nan 0.000 0.491 507 H N 1.259 120.266 119.070 -0.105 0.000 2.600 507 H HA 0.120 4.672 4.556 -0.006 0.000 0.357 507 H C 0.777 176.114 175.328 0.015 0.000 1.106 507 H CA -0.372 55.634 56.048 -0.070 0.000 1.193 507 H CB 1.671 31.355 29.762 -0.130 0.000 1.594 507 H HN 0.306 nan 8.280 nan 0.000 0.526 508 Q N 2.001 121.875 119.800 0.124 0.000 2.369 508 Q HA -0.047 4.289 4.340 -0.007 0.000 0.206 508 Q C -0.279 175.965 176.000 0.407 0.000 0.963 508 Q CA 1.217 57.154 55.803 0.225 0.000 0.894 508 Q CB 0.397 29.182 28.738 0.079 0.000 0.965 508 Q HN 0.429 nan 8.270 nan 0.000 0.475 509 D N 0.846 121.568 120.400 0.538 0.000 2.367 509 D HA 0.012 4.648 4.640 -0.007 0.000 0.207 509 D C 0.085 176.415 176.300 0.051 0.000 1.034 509 D CA 0.279 54.480 54.000 0.335 0.000 0.861 509 D CB 0.446 41.357 40.800 0.186 0.000 0.943 509 D HN 0.090 nan 8.370 nan 0.000 0.515 510 S N 1.023 116.706 115.700 -0.030 0.000 3.919 510 S HA 0.019 4.485 4.470 -0.007 0.000 0.245 510 S C 1.094 175.537 174.600 -0.261 0.000 1.344 510 S CA -0.618 57.411 58.200 -0.285 0.000 0.896 510 S CB -0.754 62.294 63.200 -0.254 0.000 1.557 510 S HN 0.234 nan 8.310 nan 0.000 0.468 511 Y N 2.001 122.120 120.300 -0.301 0.000 2.439 511 Y HA 0.061 4.607 4.550 -0.007 0.000 0.292 511 Y C 2.089 177.813 175.900 -0.294 0.000 1.130 511 Y CA 0.717 58.566 58.100 -0.418 0.000 1.254 511 Y CB -0.736 37.244 38.460 -0.800 0.000 1.000 511 Y HN 0.623 nan 8.280 nan 0.000 0.554 512 S N -0.489 114.775 115.700 -0.726 0.000 2.562 512 S HA -0.039 4.427 4.470 -0.007 0.000 0.221 512 S C 1.499 175.638 174.600 -0.769 0.000 0.975 512 S CA 0.653 58.042 58.200 -1.351 0.000 0.918 512 S CB -0.676 61.621 63.200 -1.506 0.000 0.772 512 S HN 0.671 nan 8.310 nan 0.000 0.531 513 T N -2.731 111.612 114.554 -0.352 0.000 2.964 513 T HA 0.316 4.662 4.350 -0.007 0.000 0.250 513 T C 0.896 175.685 174.700 0.148 0.000 0.982 513 T CA 0.025 62.072 62.100 -0.088 0.000 0.959 513 T CB -0.242 68.579 68.868 -0.078 0.000 1.141 513 T HN 0.287 nan 8.240 nan 0.000 0.494 514 N N 1.025 119.800 118.700 0.125 0.000 2.241 514 N HA 0.300 5.036 4.740 -0.007 0.000 0.238 514 N C -0.367 175.334 175.510 0.317 0.000 1.244 514 N CA -0.265 52.946 53.050 0.267 0.000 0.880 514 N CB 0.769 39.352 38.487 0.160 0.000 1.179 514 N HN 0.624 nan 8.380 nan 0.000 0.513 515 E N -0.235 120.198 120.200 0.388 0.000 2.342 515 E HA 0.342 4.688 4.350 -0.007 0.000 0.257 515 E C -0.291 176.620 176.600 0.517 0.000 1.150 515 E CA -0.689 55.989 56.400 0.464 0.000 0.926 515 E CB 1.148 31.133 29.700 0.475 0.000 1.074 515 E HN 0.028 nan 8.360 nan 0.000 0.449 516 V N -1.377 118.724 119.914 0.312 0.000 2.994 516 V HA 0.973 5.089 4.120 -0.007 0.000 0.318 516 V C -0.652 175.367 176.094 -0.125 0.000 1.085 516 V CA -0.495 61.905 62.300 0.167 0.000 0.998 516 V CB 1.291 33.059 31.823 -0.090 0.000 1.063 516 V HN 0.763 nan 8.190 nan 0.000 0.447 517 A N 1.287 123.929 122.820 -0.297 0.000 2.574 517 A HA 0.698 5.014 4.320 -0.007 0.000 0.297 517 A C 0.173 177.557 177.584 -0.333 0.000 1.062 517 A CA 0.046 51.665 52.037 -0.696 0.000 0.686 517 A CB 1.652 19.356 19.000 -2.160 0.000 1.285 517 A HN 1.182 nan 8.150 nan 0.000 0.403 518 V N 0.704 120.524 119.914 -0.157 0.000 2.490 518 V HA -0.215 3.901 4.120 -0.007 0.000 0.250 518 V C 1.741 177.970 176.094 0.225 0.000 1.061 518 V CA 2.732 65.066 62.300 0.058 0.000 1.064 518 V CB -1.020 30.940 31.823 0.228 0.000 0.670 518 V HN 0.973 nan 8.190 nan 0.000 0.461 519 Y N -4.532 115.848 120.300 0.133 0.000 2.461 519 Y HA 0.187 4.733 4.550 -0.006 0.000 0.277 519 Y C 1.621 177.736 175.900 0.358 0.000 1.182 519 Y CA -0.616 57.626 58.100 0.236 0.000 1.276 519 Y CB -0.438 38.137 38.460 0.192 0.000 1.087 519 Y HN 0.172 nan 8.280 nan 0.000 0.519 520 W N 0.286 121.517 121.300 -0.116 0.000 2.735 520 W HA 0.217 4.872 4.660 -0.007 0.000 0.264 520 W C 1.198 177.682 176.519 -0.059 0.000 1.233 520 W CA -0.260 57.033 57.345 -0.086 0.000 1.408 520 W CB -0.801 28.544 29.460 -0.192 0.000 1.038 520 W HN 0.159 nan 8.180 nan 0.000 0.603 521 N N 0.479 119.252 118.700 0.122 0.000 2.270 521 N HA -0.148 4.588 4.740 -0.007 0.000 0.181 521 N C 2.027 177.739 175.510 0.336 0.000 1.016 521 N CA 2.045 55.131 53.050 0.059 0.000 0.870 521 N CB -0.245 38.090 38.487 -0.254 0.000 0.979 521 N HN -0.043 nan 8.380 nan 0.000 0.431 522 S N -0.058 115.951 115.700 0.515 0.000 2.382 522 S HA 0.016 4.482 4.470 -0.007 0.000 0.228 522 S C -0.940 173.873 174.600 0.354 0.000 1.027 522 S CA 0.771 59.288 58.200 0.528 0.000 0.991 522 S CB -1.263 62.240 63.200 0.504 0.000 0.823 522 S HN 0.207 nan 8.310 nan 0.000 0.469 523 P HA 0.286 nan 4.420 nan 0.000 0.224 523 P C 1.637 179.053 177.300 0.193 0.000 1.157 523 P CA 1.294 64.520 63.100 0.210 0.000 0.799 523 P CB -0.238 31.549 31.700 0.144 0.000 0.809 524 A N -0.146 122.764 122.820 0.150 0.000 1.902 524 A HA -0.144 4.172 4.320 -0.007 0.000 0.217 524 A C 2.301 179.951 177.584 0.111 0.000 1.181 524 A CA 1.725 53.805 52.037 0.071 0.000 0.623 524 A CB -1.763 17.250 19.000 0.021 0.000 0.818 524 A HN 0.017 nan 8.150 nan 0.000 0.443 525 V N -1.243 118.788 119.914 0.196 0.000 2.332 525 V HA -0.263 3.853 4.120 -0.007 0.000 0.248 525 V C 2.267 178.477 176.094 0.194 0.000 1.055 525 V CA 2.236 64.656 62.300 0.200 0.000 1.038 525 V CB -0.927 31.055 31.823 0.265 0.000 0.651 525 V HN 0.629 nan 8.190 nan 0.000 0.450 526 F N 0.520 120.543 119.950 0.121 0.000 2.102 526 F HA -0.179 4.344 4.527 -0.007 0.000 0.298 526 F C 2.235 178.054 175.800 0.031 0.000 1.105 526 F CA 1.964 60.054 58.000 0.151 0.000 1.239 526 F CB -0.269 38.822 39.000 0.152 0.000 0.991 526 F HN -0.049 nan 8.300 nan 0.000 0.474 527 V N 0.519 120.570 119.914 0.228 0.000 2.358 527 V HA -0.288 3.828 4.120 -0.007 0.000 0.246 527 V C 2.395 178.401 176.094 -0.147 0.000 1.047 527 V CA 1.417 63.741 62.300 0.040 0.000 1.035 527 V CB -0.598 31.238 31.823 0.021 0.000 0.658 527 V HN 0.304 nan 8.190 nan 0.000 0.452 528 I N 0.698 121.200 120.570 -0.113 0.000 2.315 528 I HA -0.135 4.031 4.170 -0.007 0.000 0.248 528 I C 2.659 178.693 176.117 -0.138 0.000 1.117 528 I CA 1.781 63.009 61.300 -0.120 0.000 1.404 528 I CB -1.609 36.366 38.000 -0.042 0.000 1.071 528 I HN 0.302 nan 8.210 nan 0.000 0.419 529 A N 0.814 123.522 122.820 -0.188 0.000 2.015 529 A HA -0.037 4.279 4.320 -0.007 0.000 0.219 529 A C 2.545 179.708 177.584 -0.702 0.000 1.163 529 A CA 1.611 53.493 52.037 -0.258 0.000 0.646 529 A CB -0.544 18.398 19.000 -0.098 0.000 0.806 529 A HN 0.396 nan 8.150 nan 0.000 0.448 530 A N -0.246 121.897 122.820 -1.128 0.000 1.898 530 A HA 0.031 4.347 4.320 -0.007 0.000 0.216 530 A C 2.110 179.388 177.584 -0.511 0.000 1.181 530 A CA 1.347 52.498 52.037 -1.478 0.000 0.620 530 A CB -0.488 17.887 19.000 -1.042 0.000 0.819 530 A HN 0.458 nan 8.150 nan 0.000 0.442 531 L N -0.792 120.275 121.223 -0.259 0.000 2.109 531 L HA -0.084 4.252 4.340 -0.007 0.000 0.207 531 L C 2.457 179.342 176.870 0.024 0.000 1.086 531 L CA 0.674 55.496 54.840 -0.031 0.000 0.760 531 L CB -0.371 41.714 42.059 0.045 0.000 0.910 531 L HN 0.353 nan 8.230 nan 0.000 0.437 532 L N -0.478 120.738 121.223 -0.011 0.000 2.156 532 L HA -0.112 4.224 4.340 -0.007 0.000 0.208 532 L C 1.135 177.985 176.870 -0.033 0.000 1.095 532 L CA 0.607 55.448 54.840 0.002 0.000 0.770 532 L CB -0.036 42.023 42.059 -0.000 0.000 0.914 532 L HN 0.197 nan 8.230 nan 0.000 0.439 533 E N 0.580 120.744 120.200 -0.060 0.000 2.052 533 E HA 0.358 4.704 4.350 -0.007 0.000 0.283 533 E C -0.211 176.400 176.600 0.018 0.000 1.071 533 E CA -0.396 56.012 56.400 0.014 0.000 0.851 533 E CB 0.884 30.656 29.700 0.119 0.000 1.066 533 E HN 0.228 nan 8.360 nan 0.000 0.396 534 A N 0.000 122.826 122.820 0.010 0.000 2.254 534 A HA 0.000 4.316 4.320 -0.007 0.000 0.244 534 A CA 0.000 52.028 52.037 -0.015 0.000 0.836 534 A CB 0.000 18.987 19.000 -0.022 0.000 0.831 534 A HN 0.000 nan 8.150 nan 0.000 0.486