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 3evj_1_L DATA FIRST_RESID 5 DATA SEQUENCE VDIcTAKPRD IPMNPMcIYR XXXXXXXXXE GSEQKIPEAT NRRVWELSKA DATA SEQUENCE NSRFATTFYQ HLADSKNDND NIFLSPLSIS TAFAMTKLGA cNDTLQQLME DATA SEQUENCE VFKFDTISEK TSDQIHFFFA KLNcRLYRKA NKSSKLVSAN RLFGDKSLTF DATA SEQUENCE NETYQDISEL VYGAKLQPLD FKENAEQSRA AINKWVSNKT EGRITDVIPS DATA SEQUENCE EAINELTVLV LVNTIYFKGL WKSKFSPENT RKELFYKADG EScSASMMYQ DATA SEQUENCE EGKFRYRRVA EGTQVLELPF KGDDITMVLI LPKPEKSLAK VEKELTPEVL DATA SEQUENCE QEWLDELEEM MLVVHMPRFR IEDGFSLKEQ LQDMGLVDLF SPEKSKLPGI DATA SEQUENCE VAEGRDDLYV SDAFHKAFLE VNEEGSEAAA STAVVIAGRS LXPNRVTFKA DATA SEQUENCE NRPFLVFIRE VPLNTIIFMG RVANPcV 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 5 V HA 0.000 nan 4.120 nan 0.000 0.244 5 V C 0.000 176.090 176.094 -0.007 0.000 1.182 5 V CA 0.000 62.295 62.300 -0.009 0.000 1.235 5 V CB 0.000 31.822 31.823 -0.002 0.000 1.184 6 D N 0.536 120.938 120.400 0.003 0.000 2.485 6 D HA 0.651 5.963 4.640 1.120 0.000 0.229 6 D C 1.047 177.351 176.300 0.007 0.000 1.101 6 D CA 0.565 54.566 54.000 0.003 0.000 0.906 6 D CB 1.027 41.833 40.800 0.008 0.000 1.019 6 D HN 1.323 nan 8.370 nan 0.000 0.516 7 I N 1.792 122.355 120.570 -0.012 0.000 2.118 7 I HA -0.310 4.532 4.170 1.120 0.000 0.241 7 I C 2.655 178.732 176.117 -0.066 0.000 1.070 7 I CA 1.601 62.881 61.300 -0.033 0.000 1.327 7 I CB -1.256 36.688 38.000 -0.093 0.000 1.034 7 I HN 0.713 nan 8.210 nan 0.000 0.405 8 c N 0.876 119.444 118.600 -0.054 0.000 2.398 8 c HA -0.106 5.135 4.570 1.120 0.000 0.282 8 c C 2.425 176.506 174.090 -0.015 0.000 1.275 8 c CA 2.063 58.364 56.329 -0.045 0.000 1.797 8 c CB -1.678 40.827 42.510 -0.008 0.000 1.991 8 c HN 0.880 nan 8.230 nan 0.000 0.505 9 T N -3.377 111.184 114.554 0.013 0.000 3.288 9 T HA 0.615 5.637 4.350 1.120 0.000 0.293 9 T C -0.100 174.641 174.700 0.069 0.000 1.008 9 T CA 0.404 62.527 62.100 0.040 0.000 0.929 9 T CB 0.061 68.948 68.868 0.032 0.000 1.152 9 T HN 0.391 nan 8.240 nan 0.000 0.517 10 A N 0.549 123.431 122.820 0.103 0.000 2.313 10 A HA 0.985 5.977 4.320 1.120 0.000 0.323 10 A C 0.094 177.862 177.584 0.307 0.000 1.133 10 A CA -0.672 51.455 52.037 0.150 0.000 0.847 10 A CB 1.119 20.199 19.000 0.133 0.000 1.308 10 A HN 0.764 nan 8.150 nan 0.000 0.475 11 K N -0.115 120.391 120.400 0.176 0.000 2.352 11 K HA 0.741 5.732 4.320 1.120 0.000 0.240 11 K C -2.853 173.496 176.600 -0.420 0.000 1.017 11 K CA -1.508 54.794 56.287 0.026 0.000 0.851 11 K CB 0.032 32.529 32.500 -0.005 0.000 1.261 11 K HN 0.414 nan 8.250 nan 0.000 0.451 12 P HA 0.020 nan 4.420 nan 0.000 0.242 12 P C 0.235 177.319 177.300 -0.360 0.000 1.198 12 P CA 1.089 63.700 63.100 -0.815 0.000 0.756 12 P CB 0.249 31.453 31.700 -0.827 0.000 0.911 13 R N -1.763 118.595 120.500 -0.237 0.000 2.772 13 R HA 0.568 5.580 4.340 1.120 0.000 0.358 13 R C 0.524 176.771 176.300 -0.087 0.000 1.143 13 R CA 0.660 56.682 56.100 -0.131 0.000 1.153 13 R CB -1.224 29.019 30.300 -0.095 0.000 1.329 13 R HN 0.226 nan 8.270 nan 0.000 0.615 14 D N -0.242 120.105 120.400 -0.088 0.000 2.107 14 D HA 0.204 5.516 4.640 1.120 0.000 0.458 14 D C 0.651 176.929 176.300 -0.036 0.000 0.958 14 D CA 0.908 54.883 54.000 -0.043 0.000 0.966 14 D CB -0.115 40.676 40.800 -0.016 0.000 1.526 14 D HN 0.789 nan 8.370 nan 0.000 0.505 15 I N -2.283 118.255 120.570 -0.054 0.000 2.814 15 I HA 0.382 5.224 4.170 1.120 0.000 0.329 15 I C -2.938 173.141 176.117 -0.063 0.000 1.451 15 I CA -1.322 59.956 61.300 -0.037 0.000 0.830 15 I CB 0.767 38.770 38.000 0.005 0.000 1.945 15 I HN -0.248 nan 8.210 nan 0.000 0.572 16 P HA 0.061 nan 4.420 nan 0.000 0.255 16 P C 0.420 177.683 177.300 -0.062 0.000 1.173 16 P CA 0.885 63.928 63.100 -0.096 0.000 0.780 16 P CB 0.369 32.020 31.700 -0.082 0.000 0.758 17 M N 2.554 122.120 119.600 -0.057 0.000 2.146 17 M HA 0.240 5.392 4.480 1.120 0.000 0.352 17 M C 0.240 176.529 176.300 -0.018 0.000 1.343 17 M CA -0.197 55.081 55.300 -0.037 0.000 1.115 17 M CB -0.087 32.494 32.600 -0.030 0.000 1.657 17 M HN 0.281 nan 8.290 nan 0.000 0.471 18 N N 5.075 123.766 118.700 -0.015 0.000 2.444 18 N HA 0.601 6.013 4.740 1.120 0.000 0.262 18 N C -2.341 173.175 175.510 0.011 0.000 0.974 18 N CA -1.629 51.422 53.050 0.001 0.000 0.933 18 N CB 2.159 40.645 38.487 -0.003 0.000 1.137 18 N HN 0.625 nan 8.380 nan 0.000 0.498 19 P HA 0.249 nan 4.420 nan 0.000 0.320 19 P C 0.472 177.793 177.300 0.036 0.000 1.402 19 P CA 0.117 63.242 63.100 0.041 0.000 0.873 19 P CB 1.258 33.001 31.700 0.072 0.000 2.179 20 M N -2.337 117.286 119.600 0.038 0.000 1.957 20 M HA 0.233 5.384 4.480 1.120 0.000 0.281 20 M C -1.043 175.275 176.300 0.030 0.000 1.076 20 M CA 0.331 55.646 55.300 0.025 0.000 1.083 20 M CB 0.782 33.389 32.600 0.010 0.000 1.933 20 M HN 0.087 nan 8.290 nan 0.000 0.667 21 c N 1.460 120.086 118.600 0.043 0.000 2.535 21 c HA 0.862 6.104 4.570 1.120 0.000 0.319 21 c C 0.379 174.524 174.090 0.090 0.000 1.171 21 c CA -1.469 54.894 56.329 0.056 0.000 1.394 21 c CB 0.257 42.793 42.510 0.043 0.000 1.990 21 c HN 0.367 nan 8.230 nan 0.000 0.466 22 I N 1.806 122.442 120.570 0.111 0.000 3.100 22 I HA 1.029 5.871 4.170 1.120 0.000 0.312 22 I C -0.485 175.781 176.117 0.248 0.000 1.063 22 I CA -0.750 60.654 61.300 0.172 0.000 1.031 22 I CB 1.285 39.352 38.000 0.111 0.000 1.243 22 I HN 0.977 nan 8.210 nan 0.000 0.483 23 Y N 0.920 121.236 120.300 0.027 0.000 3.059 23 Y HA 0.947 6.168 4.550 1.119 0.000 0.301 23 Y C -0.342 175.577 175.900 0.032 0.000 1.677 23 Y CA -1.940 56.179 58.100 0.031 0.000 1.079 23 Y CB 0.322 38.805 38.460 0.039 0.000 1.534 23 Y HN 1.330 nan 8.280 nan 0.000 0.473 35 G N 1.073 109.885 108.800 0.020 0.000 2.318 35 G HA2 -0.235 4.397 3.960 1.120 0.000 0.272 35 G HA3 -0.235 4.397 3.960 1.120 0.000 0.272 35 G C 0.003 174.923 174.900 0.034 0.000 0.845 35 G CA 1.357 46.472 45.100 0.025 0.000 1.153 35 G HN 0.215 nan 8.290 nan 0.000 0.460 36 S N -0.402 115.322 115.700 0.041 0.000 2.949 36 S HA 0.172 5.314 4.470 1.120 0.000 0.246 36 S C 0.182 174.825 174.600 0.073 0.000 0.899 36 S CA -0.641 57.596 58.200 0.061 0.000 1.091 36 S CB 0.473 63.707 63.200 0.056 0.000 1.199 36 S HN 0.610 nan 8.310 nan 0.000 0.507 37 E N 3.349 123.586 120.200 0.062 0.000 2.734 37 E HA -0.016 5.005 4.350 1.120 0.000 0.235 37 E C 0.216 176.857 176.600 0.069 0.000 1.107 37 E CA 0.107 56.539 56.400 0.053 0.000 0.951 37 E CB 0.069 29.794 29.700 0.042 0.000 0.955 37 E HN 0.386 nan 8.360 nan 0.000 0.515 38 Q N 1.600 121.401 119.800 0.003 0.000 2.264 38 Q HA 0.232 5.244 4.340 1.120 0.000 0.296 38 Q C 0.552 176.469 176.000 -0.139 0.000 1.103 38 Q CA 0.417 56.157 55.803 -0.107 0.000 0.967 38 Q CB 0.047 28.704 28.738 -0.134 0.000 1.090 38 Q HN 0.551 nan 8.270 nan 0.000 0.379 39 K N -0.760 119.486 120.400 -0.257 0.000 3.209 39 K HA 0.603 5.595 4.320 1.120 0.000 0.202 39 K C 0.070 176.427 176.600 -0.406 0.000 1.109 39 K CA 0.226 56.415 56.287 -0.164 0.000 0.968 39 K CB -0.180 32.366 32.500 0.077 0.000 0.732 39 K HN 1.226 nan 8.250 nan 0.000 0.450 40 I N 1.669 121.785 120.570 -0.757 0.000 2.519 40 I HA 0.761 5.603 4.170 1.120 0.000 0.287 40 I C -1.272 174.590 176.117 -0.425 0.000 1.047 40 I CA -2.030 58.687 61.300 -0.972 0.000 1.381 40 I CB 0.301 37.703 38.000 -0.998 0.000 1.417 40 I HN 0.458 nan 8.210 nan 0.000 0.540 41 P HA 0.465 nan 4.420 nan 0.000 0.284 41 P C 0.428 177.673 177.300 -0.091 0.000 1.287 41 P CA -0.211 62.821 63.100 -0.113 0.000 0.824 41 P CB 1.145 32.837 31.700 -0.013 0.000 1.180 42 E N 1.142 121.315 120.200 -0.046 0.000 2.027 42 E HA -0.229 4.793 4.350 1.120 0.000 0.229 42 E C 0.807 177.390 176.600 -0.028 0.000 0.863 42 E CA 2.275 58.657 56.400 -0.030 0.000 0.908 42 E CB -1.075 28.620 29.700 -0.008 0.000 0.844 42 E HN 0.571 nan 8.360 nan 0.000 0.574 43 A N -0.010 122.806 122.820 -0.007 0.000 3.063 43 A HA 0.474 5.466 4.320 1.120 0.000 0.263 43 A C 0.015 177.605 177.584 0.010 0.000 1.736 43 A CA 0.938 52.977 52.037 0.003 0.000 1.408 43 A CB -1.279 17.729 19.000 0.014 0.000 1.108 43 A HN 0.457 nan 8.150 nan 0.000 0.621 44 T N 0.809 115.357 114.554 -0.009 0.000 2.881 44 T HA 0.455 5.477 4.350 1.120 0.000 0.291 44 T C -0.215 174.479 174.700 -0.011 0.000 0.990 44 T CA -0.825 61.279 62.100 0.006 0.000 0.976 44 T CB 0.436 69.304 68.868 0.001 0.000 0.970 44 T HN 0.357 nan 8.240 nan 0.000 0.438 45 N N 1.805 120.523 118.700 0.030 0.000 2.468 45 N HA 0.231 5.643 4.740 1.120 0.000 0.265 45 N C 1.731 177.246 175.510 0.008 0.000 1.199 45 N CA 0.499 53.564 53.050 0.026 0.000 0.928 45 N CB 1.072 39.601 38.487 0.070 0.000 1.059 45 N HN 0.798 nan 8.380 nan 0.000 0.467 46 R N 4.272 124.750 120.500 -0.037 0.000 2.159 46 R HA -0.119 4.893 4.340 1.120 0.000 0.237 46 R C 2.057 178.344 176.300 -0.023 0.000 1.131 46 R CA 1.880 57.951 56.100 -0.048 0.000 0.982 46 R CB -0.788 29.466 30.300 -0.075 0.000 0.868 46 R HN 0.742 nan 8.270 nan 0.000 0.453 47 R N -0.555 119.853 120.500 -0.153 0.000 2.210 47 R HA 0.128 5.140 4.340 1.120 0.000 0.203 47 R C 2.280 178.419 176.300 -0.267 0.000 1.010 47 R CA 0.858 56.745 56.100 -0.354 0.000 1.008 47 R CB 0.066 29.801 30.300 -0.941 0.000 0.923 47 R HN 0.282 nan 8.270 nan 0.000 0.469 48 V N -0.240 119.612 119.914 -0.104 0.000 2.379 48 V HA -0.210 4.582 4.120 1.120 0.000 0.245 48 V C 1.799 177.920 176.094 0.046 0.000 1.044 48 V CA 1.471 63.772 62.300 0.002 0.000 1.036 48 V CB -0.440 31.420 31.823 0.060 0.000 0.664 48 V HN 0.413 nan 8.190 nan 0.000 0.453 49 W N 1.113 122.356 121.300 -0.095 0.000 2.332 49 W HA -0.220 5.111 4.660 1.118 0.000 0.321 49 W C 2.639 179.113 176.519 -0.074 0.000 1.219 49 W CA 2.300 59.599 57.345 -0.075 0.000 1.277 49 W CB -0.270 29.151 29.460 -0.064 0.000 1.161 49 W HN 0.316 nan 8.180 nan 0.000 0.476 50 E N -0.137 120.197 120.200 0.224 0.000 2.086 50 E HA -0.332 4.690 4.350 1.120 0.000 0.200 50 E C 2.136 178.729 176.600 -0.011 0.000 1.012 50 E CA 1.955 58.413 56.400 0.096 0.000 0.812 50 E CB -0.577 29.166 29.700 0.071 0.000 0.743 50 E HN 0.278 nan 8.360 nan 0.000 0.453 51 L N 0.591 121.798 121.223 -0.026 0.000 1.976 51 L HA -0.173 4.839 4.340 1.120 0.000 0.209 51 L C 2.487 179.316 176.870 -0.068 0.000 1.071 51 L CA 2.430 57.270 54.840 -0.001 0.000 0.746 51 L CB -1.137 40.912 42.059 -0.017 0.000 0.890 51 L HN 0.104 nan 8.230 nan 0.000 0.432 52 S N -0.569 115.038 115.700 -0.156 0.000 2.368 52 S HA -0.330 4.812 4.470 1.120 0.000 0.226 52 S C 2.318 176.780 174.600 -0.231 0.000 1.044 52 S CA 2.540 60.611 58.200 -0.215 0.000 1.062 52 S CB -0.500 62.541 63.200 -0.266 0.000 0.931 52 S HN 0.638 nan 8.310 nan 0.000 0.440 53 K N 0.877 121.078 120.400 -0.331 0.000 2.020 53 K HA 0.075 5.066 4.320 1.120 0.000 0.212 53 K C 2.365 178.871 176.600 -0.157 0.000 1.050 53 K CA 2.049 58.136 56.287 -0.335 0.000 0.929 53 K CB -1.753 30.496 32.500 -0.419 0.000 0.714 53 K HN 0.734 nan 8.250 nan 0.000 0.443 54 A N 0.965 123.738 122.820 -0.078 0.000 2.125 54 A HA -0.134 4.858 4.320 1.120 0.000 0.219 54 A C 2.148 179.727 177.584 -0.008 0.000 1.156 54 A CA 1.644 53.678 52.037 -0.005 0.000 0.671 54 A CB -0.403 18.646 19.000 0.082 0.000 0.794 54 A HN 0.599 nan 8.150 nan 0.000 0.459 55 N N -0.061 118.625 118.700 -0.023 0.000 2.197 55 N HA -0.051 5.361 4.740 1.120 0.000 0.184 55 N C 1.876 177.409 175.510 0.038 0.000 1.030 55 N CA 1.470 54.524 53.050 0.007 0.000 0.851 55 N CB -0.284 38.187 38.487 -0.027 0.000 1.003 55 N HN 0.337 nan 8.380 nan 0.000 0.430 56 S N 0.592 116.272 115.700 -0.034 0.000 2.419 56 S HA -0.095 5.047 4.470 1.120 0.000 0.235 56 S C 1.853 176.440 174.600 -0.021 0.000 1.019 56 S CA 0.753 58.931 58.200 -0.038 0.000 0.982 56 S CB -0.036 63.093 63.200 -0.117 0.000 0.789 56 S HN 0.320 nan 8.310 nan 0.000 0.490 57 R N -0.398 120.089 120.500 -0.022 0.000 2.115 57 R HA -0.060 4.952 4.340 1.120 0.000 0.230 57 R C 2.032 178.336 176.300 0.007 0.000 1.111 57 R CA 1.229 57.319 56.100 -0.017 0.000 0.976 57 R CB -0.230 30.062 30.300 -0.013 0.000 0.870 57 R HN 0.515 nan 8.270 nan 0.000 0.445 58 F N 0.567 120.454 119.950 -0.105 0.000 2.234 58 F HA 0.067 5.266 4.527 1.122 0.000 0.296 58 F C 2.002 177.774 175.800 -0.046 0.000 1.089 58 F CA 0.888 58.801 58.000 -0.144 0.000 1.343 58 F CB -0.369 38.465 39.000 -0.278 0.000 1.040 58 F HN -0.029 nan 8.300 nan 0.000 0.498 59 A N 0.316 123.106 122.820 -0.049 0.000 1.892 59 A HA -0.300 4.691 4.320 1.120 0.000 0.218 59 A C 2.305 179.863 177.584 -0.043 0.000 1.188 59 A CA 3.056 55.068 52.037 -0.042 0.000 0.631 59 A CB -1.738 17.301 19.000 0.064 0.000 0.822 59 A HN 0.565 nan 8.150 nan 0.000 0.447 60 T N -4.233 110.300 114.554 -0.035 0.000 2.942 60 T HA -0.056 4.965 4.350 1.120 0.000 0.265 60 T C 1.726 176.422 174.700 -0.006 0.000 1.062 60 T CA 1.900 63.999 62.100 -0.002 0.000 1.139 60 T CB -0.728 68.124 68.868 -0.027 0.000 0.883 60 T HN 0.304 nan 8.240 nan 0.000 0.468 61 T N 1.119 115.632 114.554 -0.069 0.000 2.951 61 T HA 0.129 5.151 4.350 1.120 0.000 0.268 61 T C 1.199 175.901 174.700 0.002 0.000 1.073 61 T CA 0.837 62.919 62.100 -0.030 0.000 1.134 61 T CB -0.459 68.388 68.868 -0.035 0.000 0.884 61 T HN 0.451 nan 8.240 nan 0.000 0.479 62 F N 0.712 120.432 119.950 -0.382 0.000 2.187 62 F HA 0.055 5.252 4.527 1.116 0.000 0.295 62 F C 2.028 177.740 175.800 -0.148 0.000 1.091 62 F CA 0.281 58.032 58.000 -0.415 0.000 1.308 62 F CB -0.457 38.008 39.000 -0.891 0.000 1.030 62 F HN 0.141 nan 8.300 nan 0.000 0.487 63 Y N 1.474 121.637 120.300 -0.229 0.000 2.128 63 Y HA -0.307 4.927 4.550 1.140 0.000 0.284 63 Y C 2.468 178.201 175.900 -0.278 0.000 1.154 63 Y CA 2.389 60.344 58.100 -0.242 0.000 1.149 63 Y CB -0.675 37.727 38.460 -0.097 0.000 0.976 63 Y HN 0.203 nan 8.280 nan 0.000 0.505 64 Q N -1.283 118.475 119.800 -0.070 0.000 2.135 64 Q HA -0.248 4.763 4.340 1.120 0.000 0.204 64 Q C 1.817 177.596 176.000 -0.369 0.000 0.981 64 Q CA 2.010 57.702 55.803 -0.185 0.000 0.856 64 Q CB -0.295 28.360 28.738 -0.137 0.000 0.902 64 Q HN 0.671 nan 8.270 nan 0.000 0.425 65 H N -0.748 118.093 119.070 -0.382 0.000 2.436 65 H HA -0.060 5.168 4.556 1.119 0.000 0.294 65 H C 1.555 176.580 175.328 -0.504 0.000 1.048 65 H CA 0.703 56.517 56.048 -0.390 0.000 1.353 65 H CB 0.214 29.752 29.762 -0.372 0.000 1.414 65 H HN 0.081 nan 8.280 nan 0.000 0.536 66 L N 0.492 121.339 121.223 -0.626 0.000 1.961 66 L HA -0.042 4.970 4.340 1.120 0.000 0.209 66 L C 2.452 178.995 176.870 -0.543 0.000 1.075 66 L CA 1.840 56.266 54.840 -0.691 0.000 0.749 66 L CB -1.247 40.272 42.059 -0.901 0.000 0.890 66 L HN 0.258 nan 8.230 nan 0.000 0.433 67 A N -0.847 121.576 122.820 -0.661 0.000 1.881 67 A HA -0.363 4.629 4.320 1.120 0.000 0.219 67 A C 2.155 179.546 177.584 -0.322 0.000 1.215 67 A CA 2.276 54.005 52.037 -0.513 0.000 0.648 67 A CB -1.334 17.321 19.000 -0.575 0.000 0.832 67 A HN 0.668 nan 8.150 nan 0.000 0.455 68 D N -0.093 120.128 120.400 -0.298 0.000 2.393 68 D HA -0.129 5.183 4.640 1.120 0.000 0.220 68 D C 1.284 177.477 176.300 -0.178 0.000 0.974 68 D CA 1.436 55.307 54.000 -0.215 0.000 0.931 68 D CB -0.016 40.645 40.800 -0.233 0.000 0.889 68 D HN 0.532 nan 8.370 nan 0.000 0.512 69 S N -1.142 114.435 115.700 -0.204 0.000 2.664 69 S HA 0.279 5.420 4.470 1.120 0.000 0.245 69 S C 0.088 174.595 174.600 -0.155 0.000 1.019 69 S CA -0.716 57.388 58.200 -0.160 0.000 0.996 69 S CB 0.540 63.642 63.200 -0.162 0.000 0.878 69 S HN 0.020 nan 8.310 nan 0.000 0.493 70 K N 1.103 121.406 120.400 -0.162 0.000 2.482 70 K HA 0.390 5.382 4.320 1.120 0.000 0.257 70 K C -1.118 175.418 176.600 -0.107 0.000 0.969 70 K CA -0.910 55.294 56.287 -0.138 0.000 0.842 70 K CB 1.007 33.403 32.500 -0.174 0.000 1.359 70 K HN 0.178 nan 8.250 nan 0.000 0.441 71 N N 0.553 119.205 118.700 -0.080 0.000 2.492 71 N HA -0.029 5.382 4.740 1.120 0.000 0.260 71 N C -0.311 175.161 175.510 -0.062 0.000 1.215 71 N CA 0.371 53.386 53.050 -0.060 0.000 0.923 71 N CB 0.733 39.193 38.487 -0.045 0.000 1.092 71 N HN 0.461 nan 8.380 nan 0.000 0.448 72 D N 0.962 121.333 120.400 -0.048 0.000 2.392 72 D HA -0.032 5.279 4.640 1.120 0.000 0.228 72 D C 0.045 176.332 176.300 -0.023 0.000 1.003 72 D CA 0.750 54.727 54.000 -0.038 0.000 0.917 72 D CB -0.036 40.750 40.800 -0.023 0.000 0.890 72 D HN 0.483 nan 8.370 nan 0.000 0.532 73 N N 0.301 118.987 118.700 -0.023 0.000 2.204 73 N HA 0.016 5.428 4.740 1.120 0.000 0.219 73 N C -0.476 175.017 175.510 -0.027 0.000 1.151 73 N CA -0.013 53.031 53.050 -0.010 0.000 0.867 73 N CB 0.761 39.248 38.487 -0.000 0.000 1.043 73 N HN 0.141 nan 8.380 nan 0.000 0.516 74 D N 0.019 120.392 120.400 -0.046 0.000 2.268 74 D HA 0.253 5.565 4.640 1.120 0.000 0.249 74 D C -0.108 176.154 176.300 -0.063 0.000 1.008 74 D CA -0.330 53.637 54.000 -0.055 0.000 0.939 74 D CB 0.921 41.684 40.800 -0.060 0.000 1.170 74 D HN -0.131 nan 8.370 nan 0.000 0.468 75 N N 0.713 119.379 118.700 -0.056 0.000 2.424 75 N HA 0.456 5.868 4.740 1.120 0.000 0.257 75 N C -0.524 174.981 175.510 -0.008 0.000 1.250 75 N CA 0.054 53.077 53.050 -0.045 0.000 0.946 75 N CB 0.786 39.251 38.487 -0.036 0.000 1.175 75 N HN 0.373 nan 8.380 nan 0.000 0.477 76 I N 0.712 121.317 120.570 0.059 0.000 2.685 76 I HA 0.312 5.154 4.170 1.120 0.000 0.289 76 I C -1.590 174.728 176.117 0.335 0.000 1.292 76 I CA -0.580 60.791 61.300 0.119 0.000 1.050 76 I CB 1.713 39.728 38.000 0.027 0.000 1.301 76 I HN 0.264 nan 8.210 nan 0.000 0.425 77 F N 7.994 128.069 119.950 0.208 0.000 2.615 77 F HA 0.841 6.036 4.527 1.113 0.000 0.312 77 F C -1.605 174.460 175.800 0.440 0.000 1.119 77 F CA -0.716 57.440 58.000 0.259 0.000 0.979 77 F CB 1.758 40.855 39.000 0.163 0.000 1.266 77 F HN 0.383 nan 8.300 nan 0.000 0.444 78 L N 1.580 122.685 121.223 -0.196 0.000 3.079 78 L HA 0.632 5.644 4.340 1.120 0.000 0.278 78 L C -1.844 175.091 176.870 0.108 0.000 1.026 78 L CA -0.871 54.093 54.840 0.207 0.000 0.963 78 L CB 1.621 44.036 42.059 0.595 0.000 1.526 78 L HN 0.507 nan 8.230 nan 0.000 0.397 79 S N 1.294 117.177 115.700 0.306 0.000 2.516 79 S HA 0.526 5.668 4.470 1.120 0.000 0.268 79 S C -1.668 172.940 174.600 0.015 0.000 1.251 79 S CA -1.416 56.833 58.200 0.081 0.000 1.153 79 S CB 0.765 64.013 63.200 0.079 0.000 1.009 79 S HN 0.636 nan 8.310 nan 0.000 0.479 80 P HA -0.140 nan 4.420 nan 0.000 0.216 80 P C 1.666 179.034 177.300 0.113 0.000 1.150 80 P CA 0.566 63.719 63.100 0.089 0.000 0.837 80 P CB 0.100 31.878 31.700 0.130 0.000 0.786 81 L N 0.689 121.943 121.223 0.052 0.000 1.990 81 L HA -0.169 4.842 4.340 1.120 0.000 0.213 81 L C 2.760 179.726 176.870 0.160 0.000 1.072 81 L CA 2.540 57.435 54.840 0.092 0.000 0.755 81 L CB -1.699 40.362 42.059 0.003 0.000 0.889 81 L HN -0.023 nan 8.230 nan 0.000 0.432 82 S N -0.621 115.143 115.700 0.108 0.000 2.359 82 S HA -0.209 4.933 4.470 1.120 0.000 0.224 82 S C 2.078 176.759 174.600 0.135 0.000 1.035 82 S CA 1.825 60.112 58.200 0.145 0.000 1.018 82 S CB -0.592 62.720 63.200 0.187 0.000 0.876 82 S HN 0.514 nan 8.310 nan 0.000 0.448 83 I N 1.033 121.656 120.570 0.089 0.000 2.361 83 I HA -0.123 4.719 4.170 1.120 0.000 0.251 83 I C 2.606 178.877 176.117 0.257 0.000 1.133 83 I CA 1.023 62.401 61.300 0.129 0.000 1.413 83 I CB -0.446 37.528 38.000 -0.044 0.000 1.073 83 I HN 0.322 nan 8.210 nan 0.000 0.424 84 S N 0.280 116.106 115.700 0.210 0.000 2.335 84 S HA -0.146 4.996 4.470 1.120 0.000 0.217 84 S C 2.051 176.708 174.600 0.096 0.000 1.032 84 S CA 1.847 60.176 58.200 0.215 0.000 0.985 84 S CB -0.364 63.014 63.200 0.298 0.000 0.896 84 S HN 0.425 nan 8.310 nan 0.000 0.445 85 T N 2.955 117.600 114.554 0.151 0.000 2.594 85 T HA -0.281 4.741 4.350 1.120 0.000 0.266 85 T C 2.049 176.516 174.700 -0.388 0.000 1.070 85 T CA 1.715 63.669 62.100 -0.244 0.000 1.166 85 T CB -0.874 67.984 68.868 -0.018 0.000 0.862 85 T HN 0.484 nan 8.240 nan 0.000 0.436 86 A N 0.759 123.469 122.820 -0.183 0.000 1.892 86 A HA -0.099 4.892 4.320 1.120 0.000 0.218 86 A C 2.067 179.418 177.584 -0.388 0.000 1.188 86 A CA 1.887 53.770 52.037 -0.257 0.000 0.631 86 A CB -1.096 17.821 19.000 -0.138 0.000 0.822 86 A HN 0.500 nan 8.150 nan 0.000 0.447 87 F N -0.250 119.468 119.950 -0.387 0.000 2.293 87 F HA 0.077 5.276 4.527 1.120 0.000 0.297 87 F C 2.723 178.225 175.800 -0.496 0.000 1.089 87 F CA 0.690 58.377 58.000 -0.522 0.000 1.377 87 F CB -0.369 38.058 39.000 -0.954 0.000 1.051 87 F HN 0.260 nan 8.300 nan 0.000 0.511 88 A N -0.042 122.589 122.820 -0.315 0.000 1.902 88 A HA -0.238 4.754 4.320 1.120 0.000 0.217 88 A C 2.239 179.690 177.584 -0.222 0.000 1.181 88 A CA 1.720 53.624 52.037 -0.222 0.000 0.623 88 A CB -0.794 17.986 19.000 -0.367 0.000 0.818 88 A HN 0.343 nan 8.150 nan 0.000 0.443 89 M N -0.563 118.699 119.600 -0.563 0.000 2.202 89 M HA -0.143 5.009 4.480 1.120 0.000 0.262 89 M C 2.039 178.209 176.300 -0.217 0.000 1.063 89 M CA 1.933 56.886 55.300 -0.578 0.000 1.097 89 M CB -0.397 31.797 32.600 -0.676 0.000 1.382 89 M HN 0.509 nan 8.290 nan 0.000 0.413 90 T N -0.511 113.906 114.554 -0.229 0.000 2.851 90 T HA -0.108 4.914 4.350 1.120 0.000 0.262 90 T C 1.654 176.314 174.700 -0.067 0.000 1.043 90 T CA 0.918 62.922 62.100 -0.161 0.000 1.140 90 T CB -0.188 68.502 68.868 -0.296 0.000 0.872 90 T HN 0.376 nan 8.240 nan 0.000 0.446 91 K N 1.135 121.508 120.400 -0.045 0.000 2.228 91 K HA -0.132 4.860 4.320 1.120 0.000 0.205 91 K C 2.048 178.687 176.600 0.066 0.000 1.045 91 K CA 0.794 57.088 56.287 0.012 0.000 0.931 91 K CB -0.324 32.193 32.500 0.029 0.000 0.727 91 K HN 0.204 nan 8.250 nan 0.000 0.458 92 L N 0.215 121.496 121.223 0.097 0.000 2.034 92 L HA -0.205 4.807 4.340 1.120 0.000 0.217 92 L C 2.263 179.171 176.870 0.063 0.000 1.077 92 L CA 2.387 57.286 54.840 0.098 0.000 0.769 92 L CB -1.319 40.877 42.059 0.228 0.000 0.890 92 L HN 0.496 nan 8.230 nan 0.000 0.435 93 G N -1.649 107.135 108.800 -0.028 0.000 3.141 93 G HA2 0.322 4.954 3.960 1.120 0.000 0.218 93 G HA3 0.322 4.954 3.960 1.120 0.000 0.218 93 G C 0.639 175.479 174.900 -0.100 0.000 1.170 93 G CA 0.421 45.426 45.100 -0.158 0.000 0.769 93 G HN 0.436 nan 8.290 nan 0.000 0.546 94 A N -1.275 121.513 122.820 -0.053 0.000 2.332 94 A HA 0.540 5.532 4.320 1.120 0.000 0.258 94 A C 0.823 178.392 177.584 -0.026 0.000 1.087 94 A CA 0.229 52.239 52.037 -0.045 0.000 0.802 94 A CB 1.070 20.046 19.000 -0.040 0.000 1.042 94 A HN 0.494 nan 8.150 nan 0.000 0.489 95 c N 0.076 118.664 118.600 -0.020 0.000 4.061 95 c HA 0.277 5.519 4.570 1.120 0.000 0.568 95 c C 1.291 175.390 174.090 0.014 0.000 1.261 95 c CA 0.561 56.889 56.329 -0.002 0.000 2.569 95 c CB -1.203 41.301 42.510 -0.009 0.000 3.702 95 c HN 0.974 nan 8.230 nan 0.000 0.477 96 N N 0.826 119.533 118.700 0.012 0.000 3.189 96 N HA 0.221 5.632 4.740 1.120 0.000 0.204 96 N C 0.816 176.346 175.510 0.033 0.000 1.231 96 N CA 0.782 53.849 53.050 0.027 0.000 1.130 96 N CB -0.037 38.464 38.487 0.022 0.000 1.393 96 N HN 0.280 nan 8.380 nan 0.000 0.540 97 D N 0.066 120.482 120.400 0.027 0.000 2.183 97 D HA 0.006 5.318 4.640 1.120 0.000 0.205 97 D C 1.143 177.456 176.300 0.022 0.000 0.962 97 D CA 1.094 55.114 54.000 0.033 0.000 0.849 97 D CB -0.129 40.690 40.800 0.032 0.000 0.978 97 D HN 0.220 nan 8.370 nan 0.000 0.488 98 T N 1.930 116.489 114.554 0.009 0.000 2.737 98 T HA -0.181 4.841 4.350 1.120 0.000 0.269 98 T C 1.903 176.595 174.700 -0.014 0.000 1.040 98 T CA 0.730 62.825 62.100 -0.009 0.000 1.142 98 T CB -0.187 68.667 68.868 -0.022 0.000 0.861 98 T HN 0.036 nan 8.240 nan 0.000 0.456 99 L N 1.267 122.482 121.223 -0.014 0.000 2.131 99 L HA 0.112 5.124 4.340 1.120 0.000 0.206 99 L C 2.879 179.712 176.870 -0.062 0.000 1.087 99 L CA 2.085 56.900 54.840 -0.042 0.000 0.767 99 L CB -1.325 40.712 42.059 -0.038 0.000 0.917 99 L HN 0.318 nan 8.230 nan 0.000 0.441 100 Q N -0.563 119.234 119.800 -0.004 0.000 2.079 100 Q HA -0.245 4.767 4.340 1.120 0.000 0.200 100 Q C 2.065 178.088 176.000 0.037 0.000 0.974 100 Q CA 2.010 57.831 55.803 0.030 0.000 0.840 100 Q CB -1.094 27.699 28.738 0.090 0.000 0.898 100 Q HN 0.787 nan 8.270 nan 0.000 0.430 101 Q N -0.226 119.598 119.800 0.041 0.000 2.224 101 Q HA 0.075 5.086 4.340 1.120 0.000 0.203 101 Q C 2.248 178.293 176.000 0.076 0.000 0.970 101 Q CA 1.032 56.870 55.803 0.057 0.000 0.865 101 Q CB -0.099 28.670 28.738 0.052 0.000 0.922 101 Q HN 0.601 nan 8.270 nan 0.000 0.445 102 L N -0.067 121.189 121.223 0.056 0.000 2.007 102 L HA -0.134 4.878 4.340 1.120 0.000 0.205 102 L C 2.441 179.406 176.870 0.159 0.000 1.073 102 L CA 0.824 55.722 54.840 0.095 0.000 0.744 102 L CB -0.289 41.775 42.059 0.008 0.000 0.898 102 L HN 0.350 nan 8.230 nan 0.000 0.435 103 M N -0.471 119.170 119.600 0.070 0.000 2.202 103 M HA -0.211 4.941 4.480 1.120 0.000 0.262 103 M C 2.005 178.418 176.300 0.187 0.000 1.063 103 M CA 1.728 57.110 55.300 0.137 0.000 1.097 103 M CB -0.842 31.575 32.600 -0.306 0.000 1.382 103 M HN 0.324 nan 8.290 nan 0.000 0.413 104 E N -0.564 119.711 120.200 0.125 0.000 2.042 104 E HA -0.086 4.936 4.350 1.120 0.000 0.189 104 E C 2.107 178.752 176.600 0.074 0.000 0.974 104 E CA 0.867 57.335 56.400 0.114 0.000 0.806 104 E CB -0.083 29.678 29.700 0.102 0.000 0.769 104 E HN 0.210 nan 8.360 nan 0.000 0.451 105 V N 1.008 120.963 119.914 0.068 0.000 2.332 105 V HA -0.230 4.562 4.120 1.120 0.000 0.248 105 V C 1.569 177.589 176.094 -0.122 0.000 1.055 105 V CA 1.574 63.872 62.300 -0.003 0.000 1.038 105 V CB -0.457 31.360 31.823 -0.010 0.000 0.651 105 V HN 0.190 nan 8.190 nan 0.000 0.450 106 F N 0.465 120.238 119.950 -0.295 0.000 2.695 106 F HA 0.251 5.450 4.527 1.121 0.000 0.301 106 F C 1.133 176.535 175.800 -0.662 0.000 1.182 106 F CA -0.358 57.240 58.000 -0.671 0.000 1.412 106 F CB -0.478 37.902 39.000 -1.032 0.000 1.056 106 F HN 0.010 nan 8.300 nan 0.000 0.522 107 K N -0.641 119.669 120.400 -0.150 0.000 3.071 107 K HA -0.252 4.740 4.320 1.120 0.000 0.262 107 K C 0.364 176.976 176.600 0.019 0.000 0.977 107 K CA 0.489 56.749 56.287 -0.045 0.000 0.721 107 K CB -2.353 30.141 32.500 -0.011 0.000 1.293 107 K HN 0.293 nan 8.250 nan 0.000 0.475 108 F N 0.305 120.330 119.950 0.124 0.000 2.619 108 F HA 0.002 5.202 4.527 1.121 0.000 0.293 108 F C 1.889 177.784 175.800 0.158 0.000 1.119 108 F CA 0.752 58.824 58.000 0.120 0.000 1.445 108 F CB -0.091 38.957 39.000 0.080 0.000 1.119 108 F HN 0.174 nan 8.300 nan 0.000 0.573 109 D N -0.915 119.694 120.400 0.348 0.000 2.352 109 D HA -0.066 5.246 4.640 1.120 0.000 0.232 109 D C 0.609 177.029 176.300 0.201 0.000 1.055 109 D CA 0.628 54.814 54.000 0.311 0.000 0.891 109 D CB -1.222 39.755 40.800 0.295 0.000 0.897 109 D HN 0.202 nan 8.370 nan 0.000 0.529 110 T N -0.695 113.965 114.554 0.177 0.000 3.278 110 T HA 0.526 5.548 4.350 1.120 0.000 0.246 110 T C 0.521 175.288 174.700 0.112 0.000 1.281 110 T CA -0.823 61.349 62.100 0.120 0.000 1.281 110 T CB -1.040 67.881 68.868 0.089 0.000 1.064 110 T HN 0.397 nan 8.240 nan 0.000 0.628 111 I N -3.213 117.428 120.570 0.118 0.000 3.339 111 I HA 0.668 5.510 4.170 1.120 0.000 0.318 111 I C -0.475 175.688 176.117 0.078 0.000 1.300 111 I CA -1.618 59.739 61.300 0.095 0.000 0.906 111 I CB 1.331 39.398 38.000 0.110 0.000 1.317 111 I HN 0.127 nan 8.210 nan 0.000 0.492 112 S N 0.139 115.872 115.700 0.055 0.000 2.579 112 S HA 0.389 5.531 4.470 1.120 0.000 0.275 112 S C 1.048 175.679 174.600 0.051 0.000 1.345 112 S CA 0.252 58.476 58.200 0.040 0.000 1.031 112 S CB 1.247 64.459 63.200 0.020 0.000 0.892 112 S HN 0.986 nan 8.310 nan 0.000 0.529 113 E N 1.662 121.882 120.200 0.033 0.000 2.085 113 E HA -0.173 4.849 4.350 1.120 0.000 0.194 113 E C 1.799 178.436 176.600 0.062 0.000 0.994 113 E CA 1.592 58.007 56.400 0.025 0.000 0.801 113 E CB -0.718 28.981 29.700 -0.002 0.000 0.743 113 E HN 0.658 nan 8.360 nan 0.000 0.453 114 K N -0.189 120.256 120.400 0.074 0.000 2.442 114 K HA -0.055 4.937 4.320 1.120 0.000 0.198 114 K C 1.530 178.285 176.600 0.259 0.000 1.042 114 K CA 1.565 57.931 56.287 0.132 0.000 0.958 114 K CB -0.189 32.380 32.500 0.114 0.000 0.766 114 K HN 0.482 nan 8.250 nan 0.000 0.474 115 T N -1.111 113.550 114.554 0.179 0.000 3.056 115 T HA 0.068 5.090 4.350 1.120 0.000 0.243 115 T C 1.836 176.660 174.700 0.207 0.000 0.995 115 T CA 0.799 63.032 62.100 0.221 0.000 1.091 115 T CB 0.112 68.969 68.868 -0.017 0.000 0.990 115 T HN 0.273 nan 8.240 nan 0.000 0.464 116 S N 1.157 116.951 115.700 0.156 0.000 2.660 116 S HA 0.049 5.191 4.470 1.120 0.000 0.228 116 S C 0.953 175.686 174.600 0.222 0.000 0.966 116 S CA 0.756 59.072 58.200 0.194 0.000 0.940 116 S CB -0.282 63.036 63.200 0.198 0.000 0.773 116 S HN 0.250 nan 8.310 nan 0.000 0.535 117 D N -0.472 120.024 120.400 0.160 0.000 2.540 117 D HA 0.215 5.526 4.640 1.120 0.000 0.229 117 D C 0.432 176.796 176.300 0.107 0.000 1.250 117 D CA 0.021 54.103 54.000 0.136 0.000 0.817 117 D CB 0.720 41.562 40.800 0.070 0.000 1.060 117 D HN 0.464 nan 8.370 nan 0.000 0.508 118 Q N -0.043 119.828 119.800 0.119 0.000 1.906 118 Q HA 0.087 5.099 4.340 1.120 0.000 0.199 118 Q C 0.938 176.993 176.000 0.091 0.000 0.816 118 Q CA 0.032 55.884 55.803 0.082 0.000 0.951 118 Q CB 0.787 29.543 28.738 0.030 0.000 1.246 118 Q HN 0.140 nan 8.270 nan 0.000 0.407 119 I N -1.478 119.079 120.570 -0.022 0.000 2.358 119 I HA -0.362 4.480 4.170 1.120 0.000 0.257 119 I C 1.868 177.980 176.117 -0.009 0.000 1.123 119 I CA 1.905 63.145 61.300 -0.100 0.000 1.393 119 I CB -0.965 36.667 38.000 -0.615 0.000 1.073 119 I HN 0.243 nan 8.210 nan 0.000 0.437 120 H N 0.090 119.213 119.070 0.089 0.000 2.284 120 H HA -0.074 5.154 4.556 1.120 0.000 0.304 120 H C 2.136 177.471 175.328 0.013 0.000 1.069 120 H CA 1.936 58.007 56.048 0.038 0.000 1.327 120 H CB -0.958 28.758 29.762 -0.077 0.000 1.387 120 H HN 0.441 nan 8.280 nan 0.000 0.498 121 F N 1.604 121.518 119.950 -0.060 0.000 2.027 121 F HA -0.306 4.893 4.527 1.120 0.000 0.297 121 F C 2.284 177.980 175.800 -0.174 0.000 1.129 121 F CA 1.571 59.432 58.000 -0.233 0.000 1.195 121 F CB -0.795 37.915 39.000 -0.482 0.000 0.960 121 F HN -0.076 nan 8.300 nan 0.000 0.485 122 F N -0.763 119.254 119.950 0.111 0.000 2.171 122 F HA -0.166 5.034 4.527 1.121 0.000 0.300 122 F C 2.296 178.089 175.800 -0.012 0.000 1.090 122 F CA 1.308 59.304 58.000 -0.008 0.000 1.293 122 F CB -1.544 37.519 39.000 0.104 0.000 1.013 122 F HN 0.016 nan 8.300 nan 0.000 0.486 123 F N 0.782 120.815 119.950 0.138 0.000 2.120 123 F HA -0.249 4.952 4.527 1.122 0.000 0.300 123 F C 2.420 178.259 175.800 0.066 0.000 1.095 123 F CA 1.173 59.257 58.000 0.140 0.000 1.249 123 F CB -0.912 38.219 39.000 0.219 0.000 0.995 123 F HN -0.049 nan 8.300 nan 0.000 0.480 124 A N 0.185 123.111 122.820 0.178 0.000 1.865 124 A HA -0.225 4.767 4.320 1.120 0.000 0.217 124 A C 2.357 179.914 177.584 -0.044 0.000 1.191 124 A CA 1.892 53.926 52.037 -0.004 0.000 0.623 124 A CB -0.635 18.225 19.000 -0.233 0.000 0.826 124 A HN 0.301 nan 8.150 nan 0.000 0.444 125 K N -0.730 119.565 120.400 -0.176 0.000 2.009 125 K HA -0.178 4.814 4.320 1.120 0.000 0.210 125 K C 1.967 178.553 176.600 -0.024 0.000 1.049 125 K CA 1.450 57.657 56.287 -0.135 0.000 0.929 125 K CB -0.964 31.456 32.500 -0.134 0.000 0.714 125 K HN 0.432 nan 8.250 nan 0.000 0.440 126 L N 2.677 123.899 121.223 -0.002 0.000 2.010 126 L HA -0.261 4.750 4.340 1.120 0.000 0.219 126 L C 1.601 178.436 176.870 -0.058 0.000 1.077 126 L CA 1.935 56.741 54.840 -0.056 0.000 0.773 126 L CB -0.816 41.141 42.059 -0.170 0.000 0.892 126 L HN 0.192 nan 8.230 nan 0.000 0.436 127 N N -1.045 117.705 118.700 0.083 0.000 2.309 127 N HA -0.151 5.260 4.740 1.120 0.000 0.182 127 N C 1.874 177.489 175.510 0.174 0.000 1.018 127 N CA 1.543 54.710 53.050 0.195 0.000 0.876 127 N CB -0.841 37.963 38.487 0.528 0.000 0.972 127 N HN 0.477 nan 8.380 nan 0.000 0.434 128 c N 0.919 119.574 118.600 0.093 0.000 2.432 128 c HA -0.082 5.159 4.570 1.120 0.000 0.277 128 c C 3.197 177.310 174.090 0.038 0.000 1.249 128 c CA 1.367 57.740 56.329 0.074 0.000 1.725 128 c CB -1.163 41.357 42.510 0.017 0.000 2.028 128 c HN 0.627 nan 8.230 nan 0.000 0.477 129 R N 0.623 121.113 120.500 -0.018 0.000 2.061 129 R HA 0.022 5.034 4.340 1.120 0.000 0.230 129 R C 1.947 178.194 176.300 -0.088 0.000 1.140 129 R CA 1.785 57.865 56.100 -0.034 0.000 0.940 129 R CB -1.445 28.834 30.300 -0.035 0.000 0.839 129 R HN 0.661 nan 8.270 nan 0.000 0.429 130 L N -0.731 120.352 121.223 -0.234 0.000 2.129 130 L HA -0.147 4.865 4.340 1.120 0.000 0.212 130 L C 1.986 178.626 176.870 -0.384 0.000 1.087 130 L CA 1.337 55.928 54.840 -0.415 0.000 0.757 130 L CB -0.291 41.313 42.059 -0.758 0.000 0.896 130 L HN 0.474 nan 8.230 nan 0.000 0.434 131 Y N -1.116 119.216 120.300 0.053 0.000 2.467 131 Y HA 0.228 5.451 4.550 1.122 0.000 0.250 131 Y C 1.638 177.572 175.900 0.057 0.000 1.155 131 Y CA -0.639 57.499 58.100 0.063 0.000 1.249 131 Y CB -0.612 37.891 38.460 0.072 0.000 1.146 131 Y HN -0.005 nan 8.280 nan 0.000 0.524 132 R N 1.926 122.518 120.500 0.153 0.000 2.446 132 R HA 0.411 5.423 4.340 1.120 0.000 0.325 132 R C 0.579 176.941 176.300 0.103 0.000 0.997 132 R CA 0.201 56.366 56.100 0.109 0.000 1.010 132 R CB -1.811 28.531 30.300 0.071 0.000 0.946 132 R HN 0.399 nan 8.270 nan 0.000 0.422 133 K N 1.296 121.755 120.400 0.097 0.000 2.264 133 K HA 0.420 5.412 4.320 1.120 0.000 0.262 133 K C 0.564 177.207 176.600 0.073 0.000 1.247 133 K CA 0.904 57.242 56.287 0.085 0.000 1.248 133 K CB -0.820 31.719 32.500 0.066 0.000 0.825 133 K HN 1.823 nan 8.250 nan 0.000 0.468 134 A N 2.117 124.986 122.820 0.080 0.000 2.507 134 A HA 0.710 5.702 4.320 1.120 0.000 0.284 134 A C -0.087 177.543 177.584 0.078 0.000 1.281 134 A CA -0.483 51.598 52.037 0.072 0.000 0.744 134 A CB 0.469 19.511 19.000 0.070 0.000 1.332 134 A HN 0.982 nan 8.150 nan 0.000 0.454 135 N N -0.081 118.664 118.700 0.075 0.000 2.780 135 N HA -0.205 5.207 4.740 1.120 0.000 0.296 135 N C 0.979 176.535 175.510 0.077 0.000 1.074 135 N CA 1.325 54.422 53.050 0.080 0.000 0.806 135 N CB -0.884 37.661 38.487 0.098 0.000 0.966 135 N HN 0.994 nan 8.380 nan 0.000 0.585 136 K N -0.181 120.256 120.400 0.062 0.000 2.366 136 K HA -0.076 4.916 4.320 1.120 0.000 0.202 136 K C 1.762 178.391 176.600 0.048 0.000 1.045 136 K CA 1.917 58.235 56.287 0.052 0.000 0.934 136 K CB -0.747 31.777 32.500 0.040 0.000 0.746 136 K HN 0.795 nan 8.250 nan 0.000 0.470 137 S N -0.464 115.271 115.700 0.059 0.000 2.582 137 S HA 0.576 5.718 4.470 1.120 0.000 0.249 137 S C 0.532 175.173 174.600 0.068 0.000 1.072 137 S CA 0.497 58.731 58.200 0.056 0.000 1.115 137 S CB -0.673 62.569 63.200 0.070 0.000 0.790 137 S HN 1.310 nan 8.310 nan 0.000 0.459 138 S N 1.153 116.891 115.700 0.065 0.000 2.486 138 S HA 0.432 5.574 4.470 1.120 0.000 0.184 138 S C -0.576 174.097 174.600 0.122 0.000 0.774 138 S CA -0.630 57.626 58.200 0.094 0.000 0.995 138 S CB -0.053 63.251 63.200 0.173 0.000 1.427 138 S HN 0.362 nan 8.310 nan 0.000 0.398 139 K N 1.962 122.400 120.400 0.063 0.000 2.276 139 K HA 0.759 5.751 4.320 1.120 0.000 0.283 139 K C -1.109 175.655 176.600 0.273 0.000 1.044 139 K CA -0.634 55.733 56.287 0.132 0.000 0.944 139 K CB 0.676 33.238 32.500 0.104 0.000 1.012 139 K HN 0.614 nan 8.250 nan 0.000 0.472 140 L N 6.173 127.578 121.223 0.303 0.000 2.620 140 L HA 0.272 5.284 4.340 1.120 0.000 0.261 140 L C -1.276 175.817 176.870 0.372 0.000 0.978 140 L CA -0.539 54.529 54.840 0.380 0.000 0.897 140 L CB 1.388 43.646 42.059 0.331 0.000 1.207 140 L HN 0.457 nan 8.230 nan 0.000 0.425 141 V N 1.070 121.174 119.914 0.317 0.000 3.181 141 V HA 1.027 5.819 4.120 1.120 0.000 0.314 141 V C -0.361 175.677 176.094 -0.094 0.000 1.173 141 V CA -0.248 62.121 62.300 0.116 0.000 1.052 141 V CB 1.795 33.668 31.823 0.083 0.000 1.123 141 V HN 0.834 nan 8.190 nan 0.000 0.454 142 S N -0.440 115.055 115.700 -0.341 0.000 2.565 142 S HA 0.881 6.023 4.470 1.120 0.000 0.269 142 S C -1.047 173.438 174.600 -0.191 0.000 1.153 142 S CA 0.036 58.035 58.200 -0.335 0.000 0.835 142 S CB 1.533 64.288 63.200 -0.743 0.000 1.122 142 S HN 2.495 nan 8.310 nan 0.000 0.462 143 A N 2.993 125.776 122.820 -0.061 0.000 2.488 143 A HA 0.779 5.771 4.320 1.120 0.000 0.295 143 A C -1.465 176.260 177.584 0.235 0.000 1.045 143 A CA -0.799 51.271 52.037 0.055 0.000 0.703 143 A CB 1.287 20.263 19.000 -0.039 0.000 1.271 143 A HN 0.711 nan 8.150 nan 0.000 0.400 144 N N 0.705 119.536 118.700 0.218 0.000 2.292 144 N HA 0.828 6.240 4.740 1.120 0.000 0.303 144 N C -0.649 174.845 175.510 -0.026 0.000 1.140 144 N CA -0.502 52.621 53.050 0.122 0.000 0.788 144 N CB 2.249 40.741 38.487 0.007 0.000 1.361 144 N HN 0.786 nan 8.380 nan 0.000 0.489 145 R N 0.754 121.064 120.500 -0.317 0.000 2.604 145 R HA 0.466 5.478 4.340 1.120 0.000 0.261 145 R C -2.055 173.785 176.300 -0.767 0.000 1.080 145 R CA -0.448 55.209 56.100 -0.738 0.000 0.917 145 R CB 0.797 30.163 30.300 -1.556 0.000 1.252 145 R HN 0.507 nan 8.270 nan 0.000 0.456 146 L N 4.298 125.062 121.223 -0.766 0.000 2.325 146 L HA 0.602 5.614 4.340 1.120 0.000 0.278 146 L C -0.872 175.533 176.870 -0.776 0.000 1.023 146 L CA -0.741 53.752 54.840 -0.579 0.000 0.811 146 L CB 1.424 43.240 42.059 -0.405 0.000 1.249 146 L HN 0.622 nan 8.230 nan 0.000 0.431 147 F N 1.108 120.938 119.950 -0.200 0.000 2.434 147 F HA 0.549 5.747 4.527 1.119 0.000 0.355 147 F C 0.656 176.407 175.800 -0.082 0.000 1.115 147 F CA -0.600 57.303 58.000 -0.161 0.000 1.010 147 F CB 1.922 40.901 39.000 -0.035 0.000 1.234 147 F HN 0.389 nan 8.300 nan 0.000 0.439 148 G N 1.716 110.447 108.800 -0.115 0.000 2.453 148 G HA2 0.342 4.973 3.960 1.120 0.000 0.323 148 G HA3 0.342 4.973 3.960 1.120 0.000 0.323 148 G C -1.606 173.232 174.900 -0.102 0.000 1.198 148 G CA -0.770 44.276 45.100 -0.090 0.000 0.959 148 G HN 0.551 nan 8.290 nan 0.000 0.482 149 D N 0.173 120.689 120.400 0.194 0.000 2.487 149 D HA 0.326 5.638 4.640 1.120 0.000 0.243 149 D C 1.725 178.067 176.300 0.070 0.000 1.154 149 D CA 0.623 54.656 54.000 0.054 0.000 0.876 149 D CB 0.920 41.858 40.800 0.230 0.000 1.161 149 D HN 0.523 nan 8.370 nan 0.000 0.478 150 K N 2.152 122.517 120.400 -0.058 0.000 2.444 150 K HA -0.125 4.866 4.320 1.120 0.000 0.200 150 K C 1.251 177.871 176.600 0.033 0.000 1.045 150 K CA 1.663 57.937 56.287 -0.021 0.000 0.934 150 K CB -0.769 31.701 32.500 -0.050 0.000 0.756 150 K HN 0.584 nan 8.250 nan 0.000 0.477 151 S N -0.804 114.930 115.700 0.057 0.000 2.558 151 S HA 0.625 5.767 4.470 1.120 0.000 0.238 151 S C -0.357 174.260 174.600 0.028 0.000 1.183 151 S CA -0.772 57.453 58.200 0.041 0.000 1.185 151 S CB -0.660 62.555 63.200 0.025 0.000 1.003 151 S HN 0.291 nan 8.310 nan 0.000 0.478 152 L N 0.618 121.878 121.223 0.062 0.000 2.472 152 L HA 0.486 5.498 4.340 1.120 0.000 0.260 152 L C -0.774 176.069 176.870 -0.045 0.000 0.963 152 L CA -0.691 54.095 54.840 -0.090 0.000 0.829 152 L CB 2.522 44.367 42.059 -0.357 0.000 1.348 152 L HN 0.085 nan 8.230 nan 0.000 0.408 153 T N 2.231 116.720 114.554 -0.108 0.000 2.782 153 T HA 0.426 5.448 4.350 1.120 0.000 0.298 153 T C -0.279 174.374 174.700 -0.077 0.000 0.944 153 T CA -0.084 62.009 62.100 -0.012 0.000 1.001 153 T CB -0.441 68.416 68.868 -0.018 0.000 0.932 153 T HN 0.061 nan 8.240 nan 0.000 0.524 154 F N 2.371 122.330 119.950 0.015 0.000 2.371 154 F HA 0.260 5.459 4.527 1.120 0.000 0.329 154 F C 1.308 177.136 175.800 0.047 0.000 1.107 154 F CA -1.272 56.751 58.000 0.038 0.000 1.137 154 F CB 0.484 39.528 39.000 0.074 0.000 1.214 154 F HN 0.375 nan 8.300 nan 0.000 0.536 155 N N 2.526 121.364 118.700 0.230 0.000 2.414 155 N HA -0.110 5.302 4.740 1.120 0.000 0.268 155 N C 1.012 176.628 175.510 0.177 0.000 1.286 155 N CA 0.237 53.384 53.050 0.161 0.000 0.896 155 N CB 0.553 39.122 38.487 0.136 0.000 1.093 155 N HN 0.575 nan 8.380 nan 0.000 0.480 156 E N 2.188 122.449 120.200 0.101 0.000 2.118 156 E HA -0.158 4.864 4.350 1.120 0.000 0.195 156 E C 1.362 177.985 176.600 0.037 0.000 0.992 156 E CA 1.735 58.170 56.400 0.059 0.000 0.804 156 E CB -0.166 29.553 29.700 0.033 0.000 0.741 156 E HN 0.785 nan 8.360 nan 0.000 0.458 157 T N -1.539 113.045 114.554 0.051 0.000 3.067 157 T HA -0.085 4.937 4.350 1.120 0.000 0.261 157 T C 1.810 176.537 174.700 0.044 0.000 1.110 157 T CA 0.521 62.638 62.100 0.028 0.000 1.113 157 T CB -0.338 68.545 68.868 0.026 0.000 0.917 157 T HN 0.126 nan 8.240 nan 0.000 0.499 158 Y N 2.125 122.413 120.300 -0.021 0.000 2.220 158 Y HA 0.050 5.271 4.550 1.119 0.000 0.291 158 Y C 2.498 178.370 175.900 -0.047 0.000 1.129 158 Y CA 0.896 58.978 58.100 -0.029 0.000 1.161 158 Y CB -0.401 38.063 38.460 0.006 0.000 0.997 158 Y HN 0.148 nan 8.280 nan 0.000 0.522 159 Q N 0.033 119.735 119.800 -0.163 0.000 2.084 159 Q HA -0.191 4.821 4.340 1.120 0.000 0.202 159 Q C 1.747 177.601 176.000 -0.243 0.000 0.978 159 Q CA 1.628 57.270 55.803 -0.269 0.000 0.844 159 Q CB -0.200 28.460 28.738 -0.130 0.000 0.898 159 Q HN 0.577 nan 8.270 nan 0.000 0.426 160 D N 0.916 121.225 120.400 -0.152 0.000 2.077 160 D HA -0.132 5.180 4.640 1.120 0.000 0.193 160 D C 2.048 178.251 176.300 -0.162 0.000 0.989 160 D CA 1.015 54.936 54.000 -0.131 0.000 0.831 160 D CB -0.249 40.502 40.800 -0.082 0.000 0.979 160 D HN 0.202 nan 8.370 nan 0.000 0.449 161 I N 1.148 121.620 120.570 -0.163 0.000 2.236 161 I HA -0.287 4.554 4.170 1.120 0.000 0.249 161 I C 2.507 178.478 176.117 -0.243 0.000 1.102 161 I CA 0.835 62.020 61.300 -0.191 0.000 1.365 161 I CB -0.247 37.644 38.000 -0.182 0.000 1.051 161 I HN -0.103 nan 8.210 nan 0.000 0.420 162 S N -0.175 115.349 115.700 -0.293 0.000 2.383 162 S HA -0.228 4.913 4.470 1.120 0.000 0.227 162 S C 1.962 176.460 174.600 -0.169 0.000 1.026 162 S CA 1.491 59.538 58.200 -0.254 0.000 0.981 162 S CB -0.175 62.739 63.200 -0.478 0.000 0.818 162 S HN 0.506 nan 8.310 nan 0.000 0.472 163 E N 0.062 120.149 120.200 -0.188 0.000 2.230 163 E HA -0.008 5.014 4.350 1.120 0.000 0.192 163 E C 1.881 178.408 176.600 -0.121 0.000 0.987 163 E CA 0.223 56.538 56.400 -0.140 0.000 0.841 163 E CB -0.023 29.594 29.700 -0.138 0.000 0.783 163 E HN 0.259 nan 8.360 nan 0.000 0.481 164 L N 0.281 121.418 121.223 -0.143 0.000 1.938 164 L HA -0.139 4.873 4.340 1.120 0.000 0.212 164 L C 2.285 179.050 176.870 -0.176 0.000 1.085 164 L CA 1.521 56.281 54.840 -0.132 0.000 0.760 164 L CB -0.719 41.266 42.059 -0.124 0.000 0.888 164 L HN 0.032 nan 8.230 nan 0.000 0.433 165 V N -1.139 118.600 119.914 -0.293 0.000 2.469 165 V HA -0.288 4.504 4.120 1.120 0.000 0.251 165 V C 1.738 177.489 176.094 -0.572 0.000 1.064 165 V CA 1.832 63.834 62.300 -0.497 0.000 1.066 165 V CB -0.837 30.518 31.823 -0.781 0.000 0.667 165 V HN 0.526 nan 8.190 nan 0.000 0.461 166 Y N -0.523 119.720 120.300 -0.095 0.000 2.453 166 Y HA 0.527 5.749 4.550 1.119 0.000 0.247 166 Y C 1.743 177.596 175.900 -0.080 0.000 1.124 166 Y CA -0.283 57.765 58.100 -0.086 0.000 1.243 166 Y CB -0.068 38.307 38.460 -0.142 0.000 1.213 166 Y HN 0.243 nan 8.280 nan 0.000 0.523 167 G N 1.564 110.369 108.800 0.008 0.000 2.359 167 G HA2 -0.018 4.614 3.960 1.120 0.000 0.298 167 G HA3 -0.018 4.614 3.960 1.120 0.000 0.298 167 G C -0.117 174.767 174.900 -0.027 0.000 1.030 167 G CA 0.304 45.393 45.100 -0.019 0.000 1.149 167 G HN 0.668 nan 8.290 nan 0.000 0.512 168 A N 1.000 123.776 122.820 -0.074 0.000 2.363 168 A HA 0.738 5.730 4.320 1.120 0.000 0.296 168 A C 0.361 177.808 177.584 -0.228 0.000 1.237 168 A CA -0.555 51.392 52.037 -0.151 0.000 0.773 168 A CB 0.882 19.786 19.000 -0.160 0.000 1.153 168 A HN 0.443 nan 8.150 nan 0.000 0.473 169 K N 1.076 121.328 120.400 -0.247 0.000 2.126 169 K HA 0.424 5.416 4.320 1.120 0.000 0.257 169 K C -0.609 175.763 176.600 -0.381 0.000 1.007 169 K CA -0.295 55.831 56.287 -0.268 0.000 0.928 169 K CB 1.382 33.755 32.500 -0.211 0.000 1.013 169 K HN 0.645 nan 8.250 nan 0.000 0.473 170 L N 3.040 124.052 121.223 -0.352 0.000 2.287 170 L HA 0.144 5.156 4.340 1.120 0.000 0.280 170 L C -0.522 176.124 176.870 -0.373 0.000 1.055 170 L CA -0.264 54.324 54.840 -0.420 0.000 0.863 170 L CB 0.667 42.469 42.059 -0.429 0.000 1.245 170 L HN 0.570 nan 8.230 nan 0.000 0.432 171 Q N 7.030 126.577 119.800 -0.422 0.000 2.294 171 Q HA 0.363 5.375 4.340 1.120 0.000 0.257 171 Q C -2.353 173.536 176.000 -0.185 0.000 0.955 171 Q CA -1.809 53.830 55.803 -0.274 0.000 0.936 171 Q CB 1.340 29.914 28.738 -0.274 0.000 1.188 171 Q HN 0.340 nan 8.270 nan 0.000 0.420 172 P HA 0.195 nan 4.420 nan 0.000 0.280 172 P C -1.041 176.153 177.300 -0.176 0.000 1.244 172 P CA 0.005 63.005 63.100 -0.166 0.000 0.784 172 P CB 0.972 32.603 31.700 -0.116 0.000 0.913 173 L N 1.974 122.998 121.223 -0.330 0.000 2.409 173 L HA 0.330 5.342 4.340 1.120 0.000 0.262 173 L C 0.197 176.798 176.870 -0.447 0.000 0.992 173 L CA -0.858 53.751 54.840 -0.385 0.000 0.817 173 L CB 2.281 44.045 42.059 -0.492 0.000 1.350 173 L HN 0.248 nan 8.230 nan 0.000 0.411 174 D N 1.080 121.349 120.400 -0.218 0.000 2.545 174 D HA 0.120 5.432 4.640 1.120 0.000 0.227 174 D C 0.678 176.994 176.300 0.026 0.000 1.150 174 D CA 0.026 53.970 54.000 -0.093 0.000 1.046 174 D CB 0.218 40.999 40.800 -0.030 0.000 1.098 174 D HN 0.207 nan 8.370 nan 0.000 0.502 175 F N 1.720 121.682 119.950 0.021 0.000 2.060 175 F HA -0.009 5.190 4.527 1.119 0.000 0.295 175 F C 2.403 178.212 175.800 0.015 0.000 1.120 175 F CA 0.697 58.706 58.000 0.015 0.000 1.205 175 F CB -0.698 38.319 39.000 0.029 0.000 0.986 175 F HN 0.273 nan 8.300 nan 0.000 0.470 176 K N -0.043 120.497 120.400 0.235 0.000 2.117 176 K HA -0.291 4.701 4.320 1.120 0.000 0.215 176 K C 1.864 178.518 176.600 0.090 0.000 1.053 176 K CA 2.462 58.827 56.287 0.129 0.000 0.935 176 K CB -0.169 32.386 32.500 0.091 0.000 0.719 176 K HN 0.411 nan 8.250 nan 0.000 0.460 177 E N -1.017 119.231 120.200 0.080 0.000 2.175 177 E HA 0.029 5.051 4.350 1.120 0.000 0.195 177 E C 0.057 176.690 176.600 0.056 0.000 0.934 177 E CA 0.188 56.621 56.400 0.055 0.000 0.870 177 E CB 0.321 30.044 29.700 0.037 0.000 0.838 177 E HN 0.321 nan 8.360 nan 0.000 0.474 178 N N 1.044 119.784 118.700 0.068 0.000 3.044 178 N HA 0.283 5.694 4.740 1.120 0.000 0.254 178 N C 0.115 175.683 175.510 0.097 0.000 1.253 178 N CA -0.236 52.850 53.050 0.061 0.000 0.944 178 N CB 1.513 40.024 38.487 0.040 0.000 1.217 178 N HN 0.028 nan 8.380 nan 0.000 0.498 179 A N 1.325 124.195 122.820 0.084 0.000 2.015 179 A HA -0.182 4.810 4.320 1.120 0.000 0.219 179 A C 2.204 179.814 177.584 0.044 0.000 1.163 179 A CA 2.022 54.105 52.037 0.077 0.000 0.646 179 A CB -0.371 18.636 19.000 0.013 0.000 0.806 179 A HN 0.646 nan 8.150 nan 0.000 0.448 180 E N -1.631 118.584 120.200 0.024 0.000 2.060 180 E HA 0.008 5.030 4.350 1.120 0.000 0.189 180 E C 2.303 178.908 176.600 0.007 0.000 0.974 180 E CA 1.786 58.188 56.400 0.003 0.000 0.808 180 E CB -1.393 28.304 29.700 -0.005 0.000 0.768 180 E HN 0.884 nan 8.360 nan 0.000 0.453 181 Q N 0.712 120.522 119.800 0.016 0.000 2.096 181 Q HA -0.231 4.780 4.340 1.120 0.000 0.208 181 Q C 2.638 178.641 176.000 0.005 0.000 0.993 181 Q CA 2.629 58.437 55.803 0.008 0.000 0.862 181 Q CB -1.331 27.413 28.738 0.011 0.000 0.915 181 Q HN 0.623 nan 8.270 nan 0.000 0.416 182 S N -0.240 115.482 115.700 0.037 0.000 2.402 182 S HA -0.081 5.061 4.470 1.120 0.000 0.229 182 S C 1.997 176.606 174.600 0.015 0.000 1.021 182 S CA 0.883 59.110 58.200 0.045 0.000 0.974 182 S CB -0.223 63.093 63.200 0.192 0.000 0.800 182 S HN 0.705 nan 8.310 nan 0.000 0.484 183 R N 1.467 121.974 120.500 0.012 0.000 2.075 183 R HA -0.024 4.988 4.340 1.120 0.000 0.232 183 R C 2.280 178.540 176.300 -0.067 0.000 1.126 183 R CA 1.270 57.343 56.100 -0.045 0.000 0.963 183 R CB -0.426 29.843 30.300 -0.052 0.000 0.858 183 R HN 0.386 nan 8.270 nan 0.000 0.435 184 A N 0.485 123.278 122.820 -0.045 0.000 2.015 184 A HA -0.009 4.983 4.320 1.120 0.000 0.219 184 A C 2.248 179.808 177.584 -0.040 0.000 1.163 184 A CA 1.348 53.362 52.037 -0.038 0.000 0.646 184 A CB -0.476 18.510 19.000 -0.024 0.000 0.806 184 A HN 0.528 nan 8.150 nan 0.000 0.448 185 A N 0.147 122.929 122.820 -0.064 0.000 1.898 185 A HA -0.029 4.963 4.320 1.120 0.000 0.216 185 A C 2.086 179.601 177.584 -0.114 0.000 1.181 185 A CA 1.427 53.423 52.037 -0.068 0.000 0.620 185 A CB -0.491 18.452 19.000 -0.095 0.000 0.819 185 A HN 0.495 nan 8.150 nan 0.000 0.442 186 I N -0.241 120.155 120.570 -0.290 0.000 2.162 186 I HA -0.218 4.623 4.170 1.120 0.000 0.238 186 I C 2.080 178.190 176.117 -0.011 0.000 1.076 186 I CA 1.174 62.233 61.300 -0.402 0.000 1.353 186 I CB -0.578 37.102 38.000 -0.534 0.000 1.063 186 I HN 0.257 nan 8.210 nan 0.000 0.408 187 N N 0.968 119.654 118.700 -0.024 0.000 2.205 187 N HA -0.196 5.216 4.740 1.120 0.000 0.186 187 N C 1.801 177.347 175.510 0.060 0.000 1.015 187 N CA 1.068 54.136 53.050 0.030 0.000 0.862 187 N CB -0.280 38.199 38.487 -0.013 0.000 0.986 187 N HN 0.201 nan 8.380 nan 0.000 0.429 188 K N 0.033 120.467 120.400 0.056 0.000 2.148 188 K HA -0.109 4.882 4.320 1.120 0.000 0.204 188 K C 1.840 178.508 176.600 0.114 0.000 1.050 188 K CA 0.467 56.788 56.287 0.058 0.000 0.942 188 K CB -0.414 32.113 32.500 0.044 0.000 0.724 188 K HN 0.287 nan 8.250 nan 0.000 0.446 189 W N 1.035 122.338 121.300 0.005 0.000 2.378 189 W HA -0.195 5.137 4.660 1.119 0.000 0.313 189 W C 1.814 178.361 176.519 0.047 0.000 1.197 189 W CA 1.507 58.888 57.345 0.059 0.000 1.304 189 W CB -0.436 29.135 29.460 0.186 0.000 1.148 189 W HN -0.202 nan 8.180 nan 0.000 0.494 190 V N 0.514 120.609 119.914 0.302 0.000 2.278 190 V HA -0.409 4.383 4.120 1.120 0.000 0.251 190 V C 2.499 178.525 176.094 -0.112 0.000 1.062 190 V CA 2.272 64.622 62.300 0.084 0.000 1.038 190 V CB -1.841 30.095 31.823 0.190 0.000 0.646 190 V HN 0.394 nan 8.190 nan 0.000 0.447 191 S N 0.543 116.205 115.700 -0.063 0.000 2.368 191 S HA -0.312 4.829 4.470 1.120 0.000 0.226 191 S C 1.908 176.402 174.600 -0.177 0.000 1.044 191 S CA 2.412 60.552 58.200 -0.100 0.000 1.062 191 S CB -0.545 62.616 63.200 -0.065 0.000 0.931 191 S HN 0.673 nan 8.310 nan 0.000 0.440 192 N N 1.255 119.820 118.700 -0.224 0.000 2.120 192 N HA -0.006 5.406 4.740 1.120 0.000 0.188 192 N C 1.546 176.845 175.510 -0.351 0.000 1.024 192 N CA 1.079 53.968 53.050 -0.269 0.000 0.852 192 N CB -0.277 38.051 38.487 -0.265 0.000 1.003 192 N HN 0.346 nan 8.380 nan 0.000 0.424 193 K N 0.049 120.161 120.400 -0.479 0.000 2.515 193 K HA 0.032 5.024 4.320 1.120 0.000 0.196 193 K C 0.772 177.203 176.600 -0.281 0.000 1.038 193 K CA 0.761 56.776 56.287 -0.454 0.000 0.967 193 K CB -0.448 31.657 32.500 -0.658 0.000 0.780 193 K HN 0.423 nan 8.250 nan 0.000 0.483 194 T N -1.461 112.959 114.554 -0.223 0.000 3.355 194 T HA 0.188 5.210 4.350 1.120 0.000 0.276 194 T C -0.037 174.561 174.700 -0.170 0.000 1.003 194 T CA -0.476 61.573 62.100 -0.084 0.000 0.943 194 T CB 0.220 69.094 68.868 0.009 0.000 1.158 194 T HN -0.000 nan 8.240 nan 0.000 0.513 195 E N 0.817 120.799 120.200 -0.364 0.000 2.670 195 E HA -0.312 4.709 4.350 1.120 0.000 0.257 195 E C 1.289 177.764 176.600 -0.208 0.000 1.186 195 E CA 1.319 57.518 56.400 -0.334 0.000 0.734 195 E CB -1.825 27.628 29.700 -0.410 0.000 1.325 195 E HN 1.236 nan 8.360 nan 0.000 0.426 196 G N -0.355 108.334 108.800 -0.185 0.000 2.175 196 G HA2 -0.383 4.249 3.960 1.120 0.000 0.244 196 G HA3 -0.383 4.249 3.960 1.120 0.000 0.244 196 G C 0.983 175.766 174.900 -0.194 0.000 0.982 196 G CA 0.448 45.450 45.100 -0.163 0.000 0.641 196 G HN 0.236 nan 8.290 nan 0.000 0.527 197 R N -0.084 120.266 120.500 -0.250 0.000 2.090 197 R HA 0.154 5.166 4.340 1.120 0.000 0.228 197 R C 1.194 177.349 176.300 -0.241 0.000 1.110 197 R CA 0.900 56.743 56.100 -0.429 0.000 0.973 197 R CB -0.173 29.747 30.300 -0.633 0.000 0.869 197 R HN 0.467 nan 8.270 nan 0.000 0.440 198 I N 2.839 123.343 120.570 -0.110 0.000 2.306 198 I HA 0.147 4.989 4.170 1.120 0.000 0.288 198 I C 0.221 176.318 176.117 -0.033 0.000 1.036 198 I CA -0.269 61.011 61.300 -0.033 0.000 1.221 198 I CB 0.884 38.894 38.000 0.016 0.000 1.385 198 I HN -0.020 nan 8.210 nan 0.000 0.472 199 T N -0.183 114.355 114.554 -0.027 0.000 2.887 199 T HA 0.581 5.603 4.350 1.120 0.000 0.288 199 T C 0.212 174.901 174.700 -0.018 0.000 1.021 199 T CA -0.069 62.016 62.100 -0.025 0.000 1.000 199 T CB 1.800 70.647 68.868 -0.036 0.000 1.034 199 T HN 0.751 nan 8.240 nan 0.000 0.467 200 D N 0.181 120.568 120.400 -0.022 0.000 2.812 200 D HA -0.119 5.193 4.640 1.120 0.000 0.237 200 D C 0.999 177.271 176.300 -0.047 0.000 1.162 200 D CA 0.757 54.733 54.000 -0.039 0.000 0.740 200 D CB -2.125 38.647 40.800 -0.046 0.000 1.000 200 D HN 0.763 nan 8.370 nan 0.000 0.416 201 V N -0.331 119.570 119.914 -0.022 0.000 2.307 201 V HA 0.022 4.814 4.120 1.120 0.000 0.245 201 V C 1.770 177.823 176.094 -0.069 0.000 1.045 201 V CA 1.423 63.721 62.300 -0.004 0.000 1.024 201 V CB -0.179 31.683 31.823 0.065 0.000 0.651 201 V HN 0.845 nan 8.190 nan 0.000 0.449 202 I N 3.507 124.021 120.570 -0.095 0.000 2.379 202 I HA 0.181 5.023 4.170 1.120 0.000 0.290 202 I C -1.467 174.439 176.117 -0.353 0.000 1.063 202 I CA -1.720 59.427 61.300 -0.256 0.000 1.351 202 I CB 0.703 38.634 38.000 -0.115 0.000 1.410 202 I HN 0.182 nan 8.210 nan 0.000 0.505 203 P HA -0.044 nan 4.420 nan 0.000 0.293 203 P C -0.157 176.991 177.300 -0.254 0.000 1.285 203 P CA -0.254 62.616 63.100 -0.383 0.000 0.775 203 P CB 0.349 31.770 31.700 -0.466 0.000 1.351 204 S N -2.605 112.993 115.700 -0.170 0.000 2.608 204 S HA 0.491 5.633 4.470 1.120 0.000 0.291 204 S C 0.708 175.253 174.600 -0.091 0.000 1.146 204 S CA 0.640 58.774 58.200 -0.110 0.000 1.043 204 S CB 0.110 63.267 63.200 -0.072 0.000 1.037 204 S HN 0.738 nan 8.310 nan 0.000 0.520 205 E N -0.086 120.074 120.200 -0.067 0.000 3.370 205 E HA -0.260 4.762 4.350 1.120 0.000 0.291 205 E C 1.091 177.670 176.600 -0.036 0.000 0.916 205 E CA 1.914 58.289 56.400 -0.042 0.000 0.981 205 E CB -2.474 27.212 29.700 -0.024 0.000 1.498 205 E HN 1.819 nan 8.360 nan 0.000 0.452 206 A N -0.793 121.989 122.820 -0.063 0.000 2.119 206 A HA 0.552 5.544 4.320 1.120 0.000 0.216 206 A C 1.331 178.904 177.584 -0.019 0.000 1.152 206 A CA 1.122 53.154 52.037 -0.009 0.000 0.708 206 A CB 0.206 19.160 19.000 -0.076 0.000 0.805 206 A HN 0.940 nan 8.150 nan 0.000 0.460 207 I N 1.852 122.373 120.570 -0.082 0.000 2.354 207 I HA 0.228 5.070 4.170 1.120 0.000 0.286 207 I C -0.795 175.248 176.117 -0.123 0.000 1.007 207 I CA -0.753 60.450 61.300 -0.163 0.000 1.167 207 I CB 1.290 39.149 38.000 -0.234 0.000 1.320 207 I HN 0.381 nan 8.210 nan 0.000 0.458 208 N N 3.928 122.561 118.700 -0.111 0.000 2.741 208 N HA 0.282 5.694 4.740 1.120 0.000 0.310 208 N C 0.236 175.724 175.510 -0.038 0.000 1.295 208 N CA -0.862 52.158 53.050 -0.050 0.000 0.893 208 N CB 0.363 38.841 38.487 -0.015 0.000 1.247 208 N HN 0.322 nan 8.380 nan 0.000 0.596 209 E N -0.563 119.643 120.200 0.010 0.000 2.533 209 E HA 0.031 5.053 4.350 1.120 0.000 0.201 209 E C 0.641 177.270 176.600 0.048 0.000 1.097 209 E CA 0.725 57.151 56.400 0.044 0.000 0.887 209 E CB -0.689 29.039 29.700 0.046 0.000 0.855 209 E HN 0.635 nan 8.360 nan 0.000 0.540 210 L N -0.259 120.978 121.223 0.023 0.000 2.609 210 L HA 0.160 5.172 4.340 1.120 0.000 0.230 210 L C 0.292 177.172 176.870 0.017 0.000 1.087 210 L CA -0.102 54.760 54.840 0.037 0.000 0.874 210 L CB 0.065 42.155 42.059 0.051 0.000 1.114 210 L HN -0.101 nan 8.230 nan 0.000 0.488 211 T N 0.679 115.194 114.554 -0.064 0.000 2.800 211 T HA -0.033 4.989 4.350 1.120 0.000 0.283 211 T C 1.184 175.877 174.700 -0.012 0.000 0.999 211 T CA 0.124 62.116 62.100 -0.181 0.000 1.176 211 T CB 1.790 70.326 68.868 -0.553 0.000 0.973 211 T HN -0.109 nan 8.240 nan 0.000 0.519 212 V N 3.495 123.434 119.914 0.042 0.000 2.391 212 V HA 0.314 5.106 4.120 1.120 0.000 0.237 212 V C 0.451 176.772 176.094 0.379 0.000 1.046 212 V CA 0.792 63.209 62.300 0.195 0.000 1.053 212 V CB 0.052 31.927 31.823 0.086 0.000 0.704 212 V HN 0.713 nan 8.190 nan 0.000 0.475 213 L N -0.842 120.531 121.223 0.249 0.000 2.466 213 L HA 0.707 5.719 4.340 1.120 0.000 0.258 213 L C -1.488 175.476 176.870 0.157 0.000 0.973 213 L CA -0.322 54.699 54.840 0.300 0.000 0.826 213 L CB 2.362 44.592 42.059 0.285 0.000 1.372 213 L HN -0.101 nan 8.230 nan 0.000 0.409 214 V N 4.515 124.556 119.914 0.211 0.000 2.577 214 V HA 0.528 5.320 4.120 1.120 0.000 0.303 214 V C -0.903 175.259 176.094 0.113 0.000 1.042 214 V CA -0.456 61.928 62.300 0.140 0.000 0.872 214 V CB 1.632 33.572 31.823 0.194 0.000 0.998 214 V HN 0.561 nan 8.190 nan 0.000 0.423 215 L N 5.701 126.922 121.223 -0.003 0.000 2.282 215 L HA 0.716 5.728 4.340 1.120 0.000 0.288 215 L C -0.153 176.691 176.870 -0.045 0.000 1.033 215 L CA -0.118 54.673 54.840 -0.082 0.000 0.807 215 L CB 1.662 43.617 42.059 -0.174 0.000 1.209 215 L HN 0.400 nan 8.230 nan 0.000 0.423 216 V N 3.022 122.918 119.914 -0.030 0.000 2.823 216 V HA 0.625 5.417 4.120 1.120 0.000 0.312 216 V C -0.476 175.667 176.094 0.081 0.000 1.072 216 V CA -0.745 61.604 62.300 0.081 0.000 0.937 216 V CB 2.204 34.163 31.823 0.228 0.000 1.013 216 V HN 0.877 nan 8.190 nan 0.000 0.430 217 N N 1.665 120.453 118.700 0.147 0.000 2.242 217 N HA 0.638 6.050 4.740 1.120 0.000 0.292 217 N C -1.138 174.497 175.510 0.209 0.000 1.125 217 N CA -0.101 53.038 53.050 0.149 0.000 0.783 217 N CB 2.916 41.440 38.487 0.062 0.000 1.558 217 N HN 0.841 nan 8.380 nan 0.000 0.472 218 T N -0.097 114.567 114.554 0.183 0.000 2.903 218 T HA 0.705 5.727 4.350 1.120 0.000 0.299 218 T C -0.379 174.402 174.700 0.134 0.000 1.093 218 T CA -0.676 61.516 62.100 0.153 0.000 1.002 218 T CB 1.280 70.188 68.868 0.067 0.000 1.127 218 T HN 0.395 nan 8.240 nan 0.000 0.488 219 I N 1.580 122.270 120.570 0.201 0.000 2.686 219 I HA 0.568 5.410 4.170 1.120 0.000 0.295 219 I C -1.707 174.637 176.117 0.377 0.000 1.114 219 I CA -1.138 60.312 61.300 0.249 0.000 1.038 219 I CB 2.607 40.748 38.000 0.235 0.000 1.238 219 I HN 0.827 nan 8.210 nan 0.000 0.420 220 Y N 6.012 126.463 120.300 0.252 0.000 2.504 220 Y HA 0.687 5.911 4.550 1.123 0.000 0.344 220 Y C -1.939 174.181 175.900 0.366 0.000 1.023 220 Y CA -0.967 57.286 58.100 0.255 0.000 1.020 220 Y CB 2.007 40.522 38.460 0.091 0.000 1.282 220 Y HN 0.446 nan 8.280 nan 0.000 0.454 221 F N 5.052 124.420 119.950 -0.971 0.000 2.631 221 F HA 0.739 5.941 4.527 1.125 0.000 0.308 221 F C -1.939 173.434 175.800 -0.712 0.000 1.097 221 F CA -0.947 56.715 58.000 -0.563 0.000 0.952 221 F CB 1.960 40.886 39.000 -0.123 0.000 1.307 221 F HN 0.502 nan 8.300 nan 0.000 0.450 222 K N 2.825 122.106 120.400 -1.864 0.000 2.584 222 K HA 0.600 5.592 4.320 1.120 0.000 0.260 222 K C -1.719 174.096 176.600 -1.309 0.000 0.949 222 K CA -0.469 54.967 56.287 -1.417 0.000 0.888 222 K CB 1.489 33.681 32.500 -0.515 0.000 1.330 222 K HN 1.132 nan 8.250 nan 0.000 0.432 223 G N 3.323 111.424 108.800 -1.166 0.000 2.733 223 G HA2 0.511 5.143 3.960 1.120 0.000 0.297 223 G HA3 0.511 5.143 3.960 1.120 0.000 0.297 223 G C -1.399 173.357 174.900 -0.240 0.000 1.422 223 G CA -0.874 43.911 45.100 -0.525 0.000 0.942 223 G HN 0.405 nan 8.290 nan 0.000 0.510 224 L N 0.003 121.216 121.223 -0.017 0.000 2.456 224 L HA 0.451 5.463 4.340 1.120 0.000 0.257 224 L C -0.008 177.007 176.870 0.242 0.000 1.162 224 L CA -0.671 54.202 54.840 0.056 0.000 0.808 224 L CB 0.836 42.955 42.059 0.100 0.000 1.136 224 L HN 0.569 nan 8.230 nan 0.000 0.466 225 W N 1.179 122.661 121.300 0.302 0.000 2.238 225 W HA 0.186 5.514 4.660 1.113 0.000 0.321 225 W C 1.463 178.083 176.519 0.167 0.000 1.293 225 W CA -0.373 57.110 57.345 0.230 0.000 1.204 225 W CB 0.731 30.322 29.460 0.219 0.000 1.167 225 W HN 0.567 nan 8.180 nan 0.000 0.553 226 K N 1.538 122.186 120.400 0.414 0.000 2.032 226 K HA -0.178 4.814 4.320 1.120 0.000 0.209 226 K C 0.712 177.427 176.600 0.192 0.000 1.048 226 K CA 1.698 58.133 56.287 0.246 0.000 0.927 226 K CB -0.126 32.486 32.500 0.186 0.000 0.712 226 K HN 0.385 nan 8.250 nan 0.000 0.441 227 S N 0.709 116.530 115.700 0.202 0.000 2.577 227 S HA 0.269 5.411 4.470 1.120 0.000 0.294 227 S C -0.617 174.041 174.600 0.096 0.000 1.161 227 S CA -1.107 57.150 58.200 0.095 0.000 1.143 227 S CB 1.627 64.830 63.200 0.005 0.000 0.991 227 S HN 0.067 nan 8.310 nan 0.000 0.475 228 K N 1.810 122.315 120.400 0.176 0.000 2.218 228 K HA 0.304 5.296 4.320 1.120 0.000 0.250 228 K C -0.449 176.188 176.600 0.062 0.000 1.024 228 K CA 0.116 56.559 56.287 0.260 0.000 0.842 228 K CB -0.077 32.573 32.500 0.249 0.000 1.041 228 K HN 0.637 nan 8.250 nan 0.000 0.522 229 F N -0.710 119.280 119.950 0.067 0.000 2.538 229 F HA 0.360 5.556 4.527 1.115 0.000 0.325 229 F C 0.627 176.460 175.800 0.056 0.000 1.066 229 F CA -0.671 57.330 58.000 0.000 0.000 0.946 229 F CB 2.206 41.194 39.000 -0.020 0.000 1.199 229 F HN 0.323 nan 8.300 nan 0.000 0.473 230 S N 4.489 120.326 115.700 0.229 0.000 2.404 230 S HA 0.170 5.312 4.470 1.120 0.000 0.309 230 S C -1.632 173.069 174.600 0.168 0.000 1.076 230 S CA -1.118 57.182 58.200 0.166 0.000 1.095 230 S CB 1.010 64.280 63.200 0.118 0.000 0.972 230 S HN 0.429 nan 8.310 nan 0.000 0.484 231 P HA -0.284 nan 4.420 nan 0.000 0.218 231 P C 1.258 178.621 177.300 0.105 0.000 1.147 231 P CA 1.391 64.561 63.100 0.118 0.000 0.827 231 P CB 0.159 31.916 31.700 0.095 0.000 0.778 232 E N 0.125 120.386 120.200 0.100 0.000 2.160 232 E HA -0.186 4.836 4.350 1.120 0.000 0.195 232 E C 1.305 177.963 176.600 0.097 0.000 0.991 232 E CA 1.045 57.497 56.400 0.086 0.000 0.810 232 E CB -0.830 28.916 29.700 0.077 0.000 0.742 232 E HN 0.224 nan 8.360 nan 0.000 0.466 233 N N 0.584 119.366 118.700 0.135 0.000 2.276 233 N HA 0.051 5.463 4.740 1.120 0.000 0.212 233 N C -0.636 174.979 175.510 0.174 0.000 1.127 233 N CA 0.227 53.376 53.050 0.164 0.000 0.834 233 N CB 0.979 39.621 38.487 0.258 0.000 1.014 233 N HN 0.052 nan 8.380 nan 0.000 0.491 234 T N 1.757 116.393 114.554 0.137 0.000 2.806 234 T HA 0.402 5.424 4.350 1.120 0.000 0.290 234 T C 0.335 175.082 174.700 0.078 0.000 0.966 234 T CA -0.303 61.868 62.100 0.119 0.000 1.060 234 T CB 1.115 70.040 68.868 0.096 0.000 0.927 234 T HN 0.125 nan 8.240 nan 0.000 0.485 235 R N 0.933 121.474 120.500 0.067 0.000 2.808 235 R HA 0.761 5.773 4.340 1.120 0.000 0.272 235 R C -0.710 175.612 176.300 0.035 0.000 0.995 235 R CA -1.256 54.868 56.100 0.040 0.000 0.917 235 R CB 0.975 31.286 30.300 0.019 0.000 1.217 235 R HN 0.510 nan 8.270 nan 0.000 0.471 236 K N 1.519 121.936 120.400 0.029 0.000 2.183 236 K HA 0.316 5.308 4.320 1.120 0.000 0.274 236 K C -0.323 176.294 176.600 0.028 0.000 1.009 236 K CA -0.660 55.647 56.287 0.032 0.000 0.888 236 K CB 0.814 33.333 32.500 0.031 0.000 1.078 236 K HN 0.854 nan 8.250 nan 0.000 0.459 237 E N 1.708 121.932 120.200 0.041 0.000 2.292 237 E HA 0.501 5.523 4.350 1.120 0.000 0.272 237 E C -1.006 175.642 176.600 0.080 0.000 0.881 237 E CA -0.877 55.548 56.400 0.041 0.000 0.754 237 E CB 1.349 31.060 29.700 0.018 0.000 1.201 237 E HN 0.413 nan 8.360 nan 0.000 0.425 238 L N 2.490 123.757 121.223 0.074 0.000 2.456 238 L HA 0.249 5.261 4.340 1.120 0.000 0.272 238 L C -0.428 176.548 176.870 0.177 0.000 1.189 238 L CA -0.139 54.770 54.840 0.114 0.000 0.846 238 L CB 0.159 42.267 42.059 0.083 0.000 1.111 238 L HN 0.559 nan 8.230 nan 0.000 0.475 239 F N 3.087 123.064 119.950 0.044 0.000 2.507 239 F HA 0.329 5.526 4.527 1.117 0.000 0.325 239 F C -0.643 175.211 175.800 0.091 0.000 1.116 239 F CA -0.807 57.228 58.000 0.058 0.000 0.930 239 F CB 1.158 40.174 39.000 0.028 0.000 1.146 239 F HN 0.248 nan 8.300 nan 0.000 0.447 240 Y N 6.875 127.114 120.300 -0.101 0.000 2.353 240 Y HA 0.473 5.694 4.550 1.118 0.000 0.340 240 Y C -0.532 175.383 175.900 0.026 0.000 0.972 240 Y CA -0.636 57.452 58.100 -0.019 0.000 1.157 240 Y CB 0.625 39.028 38.460 -0.096 0.000 1.157 240 Y HN 0.593 nan 8.280 nan 0.000 0.495 241 K N 3.877 124.037 120.400 -0.399 0.000 2.179 241 K HA 0.563 5.555 4.320 1.120 0.000 0.238 241 K C 0.858 177.039 176.600 -0.697 0.000 1.033 241 K CA -0.064 56.044 56.287 -0.300 0.000 0.926 241 K CB 0.845 33.280 32.500 -0.109 0.000 1.151 241 K HN 0.771 nan 8.250 nan 0.000 0.492 242 A N 1.241 123.884 122.820 -0.295 0.000 1.930 242 A HA -0.177 4.815 4.320 1.120 0.000 0.217 242 A C 1.409 178.884 177.584 -0.181 0.000 1.175 242 A CA 2.102 54.024 52.037 -0.192 0.000 0.627 242 A CB -0.836 18.128 19.000 -0.060 0.000 0.815 242 A HN 0.879 nan 8.150 nan 0.000 0.443 243 D N -2.010 118.290 120.400 -0.167 0.000 2.350 243 D HA 0.256 5.568 4.640 1.120 0.000 0.216 243 D C 1.238 177.474 176.300 -0.108 0.000 0.968 243 D CA 1.096 55.035 54.000 -0.102 0.000 0.894 243 D CB -0.291 40.464 40.800 -0.075 0.000 0.909 243 D HN 0.741 nan 8.370 nan 0.000 0.520 244 G N -1.457 107.188 108.800 -0.258 0.000 2.195 244 G HA2 -0.180 4.452 3.960 1.120 0.000 0.224 244 G HA3 -0.180 4.452 3.960 1.120 0.000 0.224 244 G C 0.332 175.179 174.900 -0.088 0.000 0.990 244 G CA 0.189 45.223 45.100 -0.111 0.000 0.639 244 G HN 0.803 nan 8.290 nan 0.000 0.514 245 E N 0.116 120.229 120.200 -0.144 0.000 2.374 245 E HA 0.772 5.794 4.350 1.120 0.000 0.260 245 E C 0.453 177.029 176.600 -0.040 0.000 1.101 245 E CA 0.374 56.741 56.400 -0.056 0.000 0.907 245 E CB 0.860 30.533 29.700 -0.046 0.000 1.014 245 E HN 1.845 nan 8.360 nan 0.000 0.427 246 S N -1.569 114.154 115.700 0.038 0.000 2.548 246 S HA 0.758 5.900 4.470 1.120 0.000 0.286 246 S C -0.095 174.556 174.600 0.084 0.000 1.098 246 S CA -0.214 58.045 58.200 0.098 0.000 0.930 246 S CB 0.314 63.595 63.200 0.134 0.000 1.070 246 S HN 1.517 nan 8.310 nan 0.000 0.480 247 c N -0.564 118.106 118.600 0.117 0.000 3.236 247 c HA 0.904 6.146 4.570 1.120 0.000 0.312 247 c C 0.280 174.423 174.090 0.088 0.000 1.374 247 c CA -0.867 55.503 56.329 0.067 0.000 1.455 247 c CB 0.967 43.483 42.510 0.011 0.000 1.834 247 c HN 0.891 nan 8.230 nan 0.000 0.460 248 S N 0.105 115.836 115.700 0.051 0.000 2.610 248 S HA 0.758 5.900 4.470 1.120 0.000 0.273 248 S C -0.100 174.527 174.600 0.044 0.000 1.274 248 S CA 0.310 58.543 58.200 0.055 0.000 1.023 248 S CB 0.594 63.817 63.200 0.038 0.000 0.962 248 S HN 1.793 nan 8.310 nan 0.000 0.523 249 A N 2.504 125.362 122.820 0.064 0.000 2.475 249 A HA 0.703 5.695 4.320 1.120 0.000 0.301 249 A C -0.724 176.895 177.584 0.059 0.000 1.059 249 A CA -0.626 51.447 52.037 0.061 0.000 0.710 249 A CB 1.772 20.836 19.000 0.108 0.000 1.288 249 A HN 0.633 nan 8.150 nan 0.000 0.408 250 S N 1.443 117.178 115.700 0.058 0.000 2.475 250 S HA 0.351 5.492 4.470 1.120 0.000 0.249 250 S C -0.246 174.389 174.600 0.059 0.000 1.298 250 S CA -0.263 57.969 58.200 0.054 0.000 1.125 250 S CB -0.176 63.052 63.200 0.046 0.000 1.054 250 S HN 0.650 nan 8.310 nan 0.000 0.484 251 M N 4.397 124.034 119.600 0.061 0.000 2.200 251 M HA 0.359 5.511 4.480 1.120 0.000 0.355 251 M C -0.369 175.990 176.300 0.097 0.000 1.283 251 M CA 0.501 55.844 55.300 0.071 0.000 1.124 251 M CB 0.094 32.725 32.600 0.051 0.000 1.625 251 M HN 0.478 nan 8.290 nan 0.000 0.463 252 M N 4.011 123.656 119.600 0.076 0.000 2.444 252 M HA 0.382 5.534 4.480 1.120 0.000 0.319 252 M C -1.273 175.228 176.300 0.335 0.000 1.183 252 M CA -0.599 54.756 55.300 0.092 0.000 1.032 252 M CB 1.540 33.956 32.600 -0.306 0.000 1.569 252 M HN 0.672 nan 8.290 nan 0.000 0.468 253 Y N 1.219 121.694 120.300 0.293 0.000 2.492 253 Y HA 0.551 5.774 4.550 1.121 0.000 0.346 253 Y C -1.286 174.698 175.900 0.139 0.000 0.997 253 Y CA -0.623 57.601 58.100 0.206 0.000 1.025 253 Y CB 1.785 40.357 38.460 0.187 0.000 1.263 253 Y HN 0.729 nan 8.280 nan 0.000 0.454 254 Q N 3.694 122.955 119.800 -0.899 0.000 2.426 254 Q HA 0.400 5.412 4.340 1.120 0.000 0.278 254 Q C -2.224 173.246 176.000 -0.883 0.000 1.007 254 Q CA -0.758 54.509 55.803 -0.893 0.000 0.850 254 Q CB 2.171 30.276 28.738 -1.055 0.000 1.427 254 Q HN 0.812 nan 8.270 nan 0.000 0.391 255 E N 1.366 121.230 120.200 -0.560 0.000 2.224 255 E HA 0.739 5.761 4.350 1.120 0.000 0.265 255 E C -1.018 175.527 176.600 -0.092 0.000 0.878 255 E CA -0.431 55.788 56.400 -0.302 0.000 0.759 255 E CB 1.700 31.257 29.700 -0.239 0.000 1.164 255 E HN 0.844 nan 8.360 nan 0.000 0.414 256 G N 1.185 110.014 108.800 0.047 0.000 2.335 256 G HA2 0.432 5.064 3.960 1.120 0.000 0.291 256 G HA3 0.432 5.064 3.960 1.120 0.000 0.291 256 G C -1.380 173.388 174.900 -0.220 0.000 1.261 256 G CA -0.278 44.769 45.100 -0.087 0.000 0.871 256 G HN 0.504 nan 8.290 nan 0.000 0.491 257 K N -0.430 119.612 120.400 -0.598 0.000 2.276 257 K HA 0.784 5.776 4.320 1.120 0.000 0.285 257 K C -1.183 174.830 176.600 -0.978 0.000 1.062 257 K CA -0.293 55.676 56.287 -0.530 0.000 0.918 257 K CB 0.172 32.448 32.500 -0.373 0.000 1.055 257 K HN 0.737 nan 8.250 nan 0.000 0.477 258 F N 0.201 120.107 119.950 -0.073 0.000 2.641 258 F HA 0.440 5.635 4.527 1.114 0.000 0.308 258 F C 0.392 176.199 175.800 0.012 0.000 1.105 258 F CA -1.066 56.904 58.000 -0.049 0.000 0.964 258 F CB 2.292 41.240 39.000 -0.087 0.000 1.294 258 F HN 0.425 nan 8.300 nan 0.000 0.442 259 R N 1.720 122.346 120.500 0.209 0.000 2.347 259 R HA 0.351 5.363 4.340 1.120 0.000 0.304 259 R C -1.334 175.098 176.300 0.221 0.000 1.072 259 R CA -0.215 55.983 56.100 0.163 0.000 0.980 259 R CB 0.691 31.059 30.300 0.114 0.000 0.986 259 R HN 0.717 nan 8.270 nan 0.000 0.448 260 Y N 0.527 120.856 120.300 0.049 0.000 2.669 260 Y HA 0.563 5.815 4.550 1.170 0.000 0.335 260 Y C -1.149 174.755 175.900 0.006 0.000 1.116 260 Y CA -0.894 57.222 58.100 0.027 0.000 1.081 260 Y CB 2.066 40.538 38.460 0.019 0.000 1.297 260 Y HN 0.354 nan 8.280 nan 0.000 0.484 261 R N 1.182 121.056 120.500 -1.044 0.000 3.262 261 R HA 0.560 5.572 4.340 1.120 0.000 0.270 261 R C -1.893 173.854 176.300 -0.921 0.000 1.147 261 R CA -0.182 55.484 56.100 -0.724 0.000 1.189 261 R CB 0.121 30.226 30.300 -0.324 0.000 1.271 261 R HN 1.390 nan 8.270 nan 0.000 0.447 262 R N 2.992 123.116 120.500 -0.626 0.000 3.268 262 R HA 0.537 5.549 4.340 1.120 0.000 0.217 262 R C 0.570 176.678 176.300 -0.320 0.000 1.568 262 R CA 0.413 56.292 56.100 -0.368 0.000 1.322 262 R CB -0.321 29.940 30.300 -0.065 0.000 1.280 262 R HN 0.608 nan 8.270 nan 0.000 0.667 263 V N 1.654 121.291 119.914 -0.461 0.000 3.432 263 V HA 0.355 5.147 4.120 1.120 0.000 0.304 263 V C 1.737 177.600 176.094 -0.385 0.000 1.107 263 V CA 0.198 62.168 62.300 -0.550 0.000 1.153 263 V CB 0.988 32.139 31.823 -1.120 0.000 1.072 263 V HN 1.049 nan 8.190 nan 0.000 0.485 264 A N 1.456 124.085 122.820 -0.318 0.000 2.641 264 A HA 0.068 5.060 4.320 1.120 0.000 0.239 264 A C 1.197 178.695 177.584 -0.143 0.000 1.123 264 A CA 0.911 52.848 52.037 -0.166 0.000 0.822 264 A CB -0.627 18.324 19.000 -0.082 0.000 1.050 264 A HN 1.337 nan 8.150 nan 0.000 0.520 265 E N -2.069 118.088 120.200 -0.072 0.000 3.562 265 E HA -0.236 4.786 4.350 1.120 0.000 0.298 265 E C 0.968 177.536 176.600 -0.053 0.000 0.830 265 E CA 2.534 58.907 56.400 -0.046 0.000 1.013 265 E CB -1.573 28.110 29.700 -0.029 0.000 1.510 265 E HN 2.635 nan 8.360 nan 0.000 0.463 266 G N -1.251 107.502 108.800 -0.078 0.000 2.149 266 G HA2 -0.270 4.362 3.960 1.120 0.000 0.235 266 G HA3 -0.270 4.362 3.960 1.120 0.000 0.235 266 G C 0.168 175.022 174.900 -0.077 0.000 1.018 266 G CA 0.320 45.383 45.100 -0.062 0.000 0.728 266 G HN 0.406 nan 8.290 nan 0.000 0.508 267 T N 1.357 115.825 114.554 -0.143 0.000 2.743 267 T HA 0.494 5.516 4.350 1.120 0.000 0.293 267 T C 0.618 175.174 174.700 -0.241 0.000 0.945 267 T CA -0.132 61.868 62.100 -0.166 0.000 1.030 267 T CB 1.267 70.006 68.868 -0.214 0.000 0.912 267 T HN 0.452 nan 8.240 nan 0.000 0.483 268 Q N 1.530 121.249 119.800 -0.136 0.000 2.382 268 Q HA 0.598 5.610 4.340 1.120 0.000 0.229 268 Q C -0.764 175.132 176.000 -0.174 0.000 1.006 268 Q CA -0.651 55.057 55.803 -0.157 0.000 0.916 268 Q CB 1.144 29.923 28.738 0.069 0.000 1.235 268 Q HN 0.380 nan 8.270 nan 0.000 0.512 269 V N 2.640 122.411 119.914 -0.239 0.000 2.614 269 V HA 0.214 5.006 4.120 1.120 0.000 0.281 269 V C -1.358 174.703 176.094 -0.055 0.000 1.031 269 V CA -0.634 61.611 62.300 -0.092 0.000 0.899 269 V CB 1.296 33.054 31.823 -0.108 0.000 1.037 269 V HN 0.543 nan 8.190 nan 0.000 0.456 270 L N 3.129 124.401 121.223 0.082 0.000 2.330 270 L HA 0.873 5.885 4.340 1.120 0.000 0.271 270 L C -0.326 176.618 176.870 0.123 0.000 1.013 270 L CA 0.024 54.942 54.840 0.131 0.000 0.816 270 L CB 1.924 44.064 42.059 0.136 0.000 1.287 270 L HN 0.783 nan 8.230 nan 0.000 0.435 271 E N 3.563 123.837 120.200 0.124 0.000 2.234 271 E HA 0.522 5.544 4.350 1.120 0.000 0.266 271 E C -1.944 174.727 176.600 0.117 0.000 0.877 271 E CA -0.605 55.873 56.400 0.129 0.000 0.758 271 E CB 1.415 31.193 29.700 0.130 0.000 1.170 271 E HN 0.770 nan 8.360 nan 0.000 0.415 272 L N 6.808 128.085 121.223 0.090 0.000 2.345 272 L HA 0.484 5.496 4.340 1.120 0.000 0.274 272 L C -2.259 174.662 176.870 0.085 0.000 0.999 272 L CA -2.007 52.853 54.840 0.035 0.000 0.849 272 L CB 1.734 43.662 42.059 -0.217 0.000 1.220 272 L HN 0.437 nan 8.230 nan 0.000 0.422 273 P HA 0.253 nan 4.420 nan 0.000 0.284 273 P C -0.979 176.387 177.300 0.109 0.000 1.253 273 P CA -0.289 62.871 63.100 0.100 0.000 0.800 273 P CB 1.021 32.810 31.700 0.148 0.000 0.961 274 F N 0.119 120.270 119.950 0.336 0.000 2.378 274 F HA 0.430 5.629 4.527 1.120 0.000 0.325 274 F C 1.601 177.527 175.800 0.209 0.000 1.097 274 F CA -0.488 57.675 58.000 0.273 0.000 1.079 274 F CB 0.026 39.166 39.000 0.234 0.000 1.240 274 F HN 0.201 nan 8.300 nan 0.000 0.519 275 K N 0.793 121.418 120.400 0.376 0.000 2.367 275 K HA 0.417 5.409 4.320 1.120 0.000 0.275 275 K C 0.836 177.562 176.600 0.211 0.000 1.125 275 K CA 0.570 57.002 56.287 0.241 0.000 1.133 275 K CB -1.181 31.433 32.500 0.190 0.000 0.875 275 K HN 1.300 nan 8.250 nan 0.000 0.467 276 G N 1.685 110.590 108.800 0.175 0.000 2.318 276 G HA2 -0.115 4.517 3.960 1.120 0.000 0.172 276 G HA3 -0.115 4.517 3.960 1.120 0.000 0.172 276 G C 0.462 175.447 174.900 0.141 0.000 1.002 276 G CA 0.349 45.537 45.100 0.146 0.000 0.697 276 G HN 0.951 nan 8.290 nan 0.000 0.483 277 D N 1.035 121.534 120.400 0.164 0.000 2.903 277 D HA -0.167 5.145 4.640 1.120 0.000 0.228 277 D C 1.344 177.724 176.300 0.133 0.000 1.178 277 D CA 1.839 55.926 54.000 0.146 0.000 0.740 277 D CB -0.148 40.715 40.800 0.105 0.000 1.077 277 D HN 0.742 nan 8.370 nan 0.000 0.419 278 D N -0.955 119.531 120.400 0.143 0.000 2.423 278 D HA 0.087 5.399 4.640 1.120 0.000 0.208 278 D C 0.762 177.132 176.300 0.118 0.000 1.068 278 D CA 0.111 54.178 54.000 0.111 0.000 0.860 278 D CB 0.444 41.299 40.800 0.091 0.000 0.992 278 D HN 0.305 nan 8.370 nan 0.000 0.504 279 I N 0.855 121.536 120.570 0.185 0.000 2.582 279 I HA 0.375 5.217 4.170 1.120 0.000 0.292 279 I C -0.666 175.717 176.117 0.444 0.000 1.066 279 I CA -0.561 60.869 61.300 0.218 0.000 1.053 279 I CB 2.404 40.458 38.000 0.090 0.000 1.241 279 I HN -0.088 nan 8.210 nan 0.000 0.421 280 T N 2.519 117.311 114.554 0.396 0.000 2.843 280 T HA 0.597 5.619 4.350 1.120 0.000 0.302 280 T C -0.825 174.105 174.700 0.383 0.000 1.232 280 T CA -0.863 61.443 62.100 0.344 0.000 1.009 280 T CB 2.156 71.142 68.868 0.196 0.000 1.254 280 T HN 0.557 nan 8.240 nan 0.000 0.504 281 M N 1.860 121.633 119.600 0.288 0.000 2.423 281 M HA 0.727 5.878 4.480 1.120 0.000 0.335 281 M C -1.749 174.737 176.300 0.310 0.000 1.177 281 M CA -0.800 54.737 55.300 0.395 0.000 1.038 281 M CB 1.529 34.417 32.600 0.480 0.000 1.641 281 M HN 0.603 nan 8.290 nan 0.000 0.455 282 V N 5.843 125.976 119.914 0.366 0.000 2.482 282 V HA 0.415 5.207 4.120 1.120 0.000 0.295 282 V C -0.620 175.717 176.094 0.405 0.000 1.026 282 V CA -0.683 61.805 62.300 0.313 0.000 0.856 282 V CB 1.540 33.495 31.823 0.222 0.000 1.001 282 V HN 0.785 nan 8.190 nan 0.000 0.424 283 L N 5.869 127.280 121.223 0.312 0.000 2.307 283 L HA 0.640 5.651 4.340 1.120 0.000 0.282 283 L C -0.570 176.480 176.870 0.299 0.000 1.051 283 L CA -0.439 54.604 54.840 0.338 0.000 0.804 283 L CB 1.623 43.827 42.059 0.242 0.000 1.197 283 L HN 0.482 nan 8.230 nan 0.000 0.431 284 I N 4.351 125.130 120.570 0.349 0.000 2.476 284 I HA 0.278 5.120 4.170 1.120 0.000 0.281 284 I C -1.159 175.112 176.117 0.258 0.000 1.040 284 I CA -0.554 60.916 61.300 0.284 0.000 1.094 284 I CB 1.730 39.954 38.000 0.374 0.000 1.219 284 I HN 0.260 nan 8.210 nan 0.000 0.450 285 L N 8.851 130.176 121.223 0.170 0.000 2.296 285 L HA 0.631 5.643 4.340 1.120 0.000 0.286 285 L C -2.208 174.715 176.870 0.089 0.000 1.023 285 L CA -1.961 52.967 54.840 0.147 0.000 0.812 285 L CB 0.995 43.103 42.059 0.082 0.000 1.223 285 L HN 0.298 nan 8.230 nan 0.000 0.421 286 P HA 0.291 nan 4.420 nan 0.000 0.281 286 P C -0.635 176.686 177.300 0.036 0.000 1.264 286 P CA -0.739 62.393 63.100 0.053 0.000 0.824 286 P CB 0.656 32.399 31.700 0.072 0.000 1.092 287 K N 2.145 122.555 120.400 0.015 0.000 2.543 287 K HA -0.030 4.962 4.320 1.120 0.000 0.279 287 K C -1.689 174.920 176.600 0.016 0.000 1.001 287 K CA 0.103 56.396 56.287 0.010 0.000 1.088 287 K CB -2.333 30.168 32.500 0.001 0.000 0.863 287 K HN 0.433 nan 8.250 nan 0.000 0.488 288 P HA -0.194 nan 4.420 nan 0.000 0.222 288 P C 0.522 177.824 177.300 0.004 0.000 1.154 288 P CA 2.388 65.492 63.100 0.006 0.000 0.874 288 P CB 0.289 31.988 31.700 -0.002 0.000 0.787 289 E N -2.280 117.922 120.200 0.004 0.000 3.352 289 E HA 0.588 5.610 4.350 1.120 0.000 0.254 289 E C -0.195 176.409 176.600 0.007 0.000 1.229 289 E CA -0.264 56.138 56.400 0.003 0.000 0.949 289 E CB 0.104 29.802 29.700 -0.004 0.000 1.373 289 E HN 0.331 nan 8.360 nan 0.000 0.392 290 K N -0.421 119.988 120.400 0.014 0.000 2.555 290 K HA 0.884 5.876 4.320 1.120 0.000 0.279 290 K C 0.235 176.850 176.600 0.025 0.000 0.986 290 K CA -0.112 56.185 56.287 0.016 0.000 0.880 290 K CB 1.287 33.796 32.500 0.014 0.000 1.474 290 K HN 0.922 nan 8.250 nan 0.000 0.433 291 S N -0.329 115.387 115.700 0.026 0.000 2.584 291 S HA 0.335 5.477 4.470 1.120 0.000 0.270 291 S C 0.702 175.331 174.600 0.047 0.000 1.346 291 S CA 0.415 58.634 58.200 0.032 0.000 1.018 291 S CB 0.481 63.698 63.200 0.028 0.000 0.899 291 S HN 1.193 nan 8.310 nan 0.000 0.542 292 L N 3.644 124.900 121.223 0.054 0.000 2.717 292 L HA 0.536 5.548 4.340 1.120 0.000 0.239 292 L C 1.981 178.898 176.870 0.078 0.000 1.086 292 L CA 1.337 56.222 54.840 0.075 0.000 0.897 292 L CB -0.721 41.386 42.059 0.080 0.000 1.214 292 L HN 0.782 nan 8.230 nan 0.000 0.508 293 A N 0.340 123.192 122.820 0.054 0.000 1.968 293 A HA -0.010 4.982 4.320 1.120 0.000 0.217 293 A C 2.440 180.053 177.584 0.049 0.000 1.169 293 A CA 1.679 53.742 52.037 0.044 0.000 0.638 293 A CB -0.680 18.329 19.000 0.015 0.000 0.812 293 A HN 0.367 nan 8.150 nan 0.000 0.446 294 K N -0.255 120.175 120.400 0.049 0.000 2.044 294 K HA -0.108 4.884 4.320 1.120 0.000 0.210 294 K C 2.007 178.654 176.600 0.077 0.000 1.049 294 K CA 2.104 58.422 56.287 0.051 0.000 0.927 294 K CB -1.660 30.868 32.500 0.048 0.000 0.713 294 K HN 0.436 nan 8.250 nan 0.000 0.443 295 V N 1.494 121.471 119.914 0.106 0.000 2.283 295 V HA -0.241 4.551 4.120 1.120 0.000 0.243 295 V C 2.345 178.518 176.094 0.132 0.000 1.039 295 V CA 2.016 64.410 62.300 0.158 0.000 1.016 295 V CB -0.810 31.139 31.823 0.211 0.000 0.650 295 V HN 0.672 nan 8.190 nan 0.000 0.449 296 E N 0.574 120.848 120.200 0.124 0.000 2.208 296 E HA -0.296 4.726 4.350 1.120 0.000 0.202 296 E C 1.952 178.604 176.600 0.086 0.000 1.014 296 E CA 1.582 58.063 56.400 0.135 0.000 0.819 296 E CB -0.247 29.563 29.700 0.183 0.000 0.735 296 E HN 0.601 nan 8.360 nan 0.000 0.469 297 K N -0.550 119.881 120.400 0.052 0.000 2.404 297 K HA 0.017 5.008 4.320 1.120 0.000 0.194 297 K C 1.721 178.330 176.600 0.014 0.000 1.023 297 K CA 0.741 57.037 56.287 0.014 0.000 1.094 297 K CB 0.574 33.071 32.500 -0.004 0.000 0.841 297 K HN 0.149 nan 8.250 nan 0.000 0.523 298 E N 0.586 120.808 120.200 0.037 0.000 2.498 298 E HA 0.061 5.083 4.350 1.120 0.000 0.203 298 E C 0.162 176.744 176.600 -0.030 0.000 1.013 298 E CA -0.165 56.254 56.400 0.031 0.000 0.927 298 E CB 0.109 29.868 29.700 0.099 0.000 1.012 298 E HN 0.012 nan 8.360 nan 0.000 0.482 299 L N 2.910 124.110 121.223 -0.037 0.000 2.477 299 L HA 0.465 5.477 4.340 1.120 0.000 0.272 299 L C 0.314 177.108 176.870 -0.125 0.000 1.157 299 L CA 0.961 55.734 54.840 -0.111 0.000 0.889 299 L CB 0.775 42.808 42.059 -0.042 0.000 1.158 299 L HN 0.345 nan 8.230 nan 0.000 0.473 300 T N 1.683 116.114 114.554 -0.204 0.000 2.885 300 T HA 0.414 5.436 4.350 1.120 0.000 0.322 300 T C -2.290 172.275 174.700 -0.225 0.000 1.387 300 T CA -1.262 60.738 62.100 -0.167 0.000 1.041 300 T CB 1.467 70.259 68.868 -0.127 0.000 1.287 300 T HN 0.230 nan 8.240 nan 0.000 0.491 301 P HA -0.170 nan 4.420 nan 0.000 0.218 301 P C 1.149 178.319 177.300 -0.216 0.000 1.154 301 P CA 1.486 64.466 63.100 -0.200 0.000 0.872 301 P CB 0.097 31.699 31.700 -0.163 0.000 0.790 302 E N -0.833 119.261 120.200 -0.176 0.000 2.051 302 E HA -0.119 4.903 4.350 1.120 0.000 0.192 302 E C 2.087 178.547 176.600 -0.235 0.000 0.991 302 E CA 0.876 57.187 56.400 -0.148 0.000 0.799 302 E CB -1.486 28.158 29.700 -0.093 0.000 0.748 302 E HN 0.024 nan 8.360 nan 0.000 0.449 303 V N 1.011 120.716 119.914 -0.349 0.000 2.332 303 V HA -0.262 4.529 4.120 1.120 0.000 0.248 303 V C 2.246 177.764 176.094 -0.959 0.000 1.055 303 V CA 1.516 63.417 62.300 -0.664 0.000 1.038 303 V CB -0.502 30.885 31.823 -0.727 0.000 0.651 303 V HN 0.254 nan 8.190 nan 0.000 0.450 304 L N -0.873 119.944 121.223 -0.677 0.000 1.976 304 L HA -0.242 4.770 4.340 1.120 0.000 0.209 304 L C 2.656 179.342 176.870 -0.306 0.000 1.071 304 L CA 1.964 56.473 54.840 -0.551 0.000 0.746 304 L CB -0.738 41.041 42.059 -0.466 0.000 0.890 304 L HN 0.327 nan 8.230 nan 0.000 0.432 305 Q N 0.126 119.789 119.800 -0.228 0.000 2.045 305 Q HA -0.247 4.765 4.340 1.120 0.000 0.206 305 Q C 2.110 178.090 176.000 -0.033 0.000 0.991 305 Q CA 1.761 57.504 55.803 -0.099 0.000 0.851 305 Q CB -0.177 28.524 28.738 -0.063 0.000 0.911 305 Q HN 0.252 nan 8.270 nan 0.000 0.418 306 E N -0.745 119.421 120.200 -0.057 0.000 2.019 306 E HA -0.222 4.800 4.350 1.120 0.000 0.208 306 E C 1.680 178.386 176.600 0.175 0.000 1.030 306 E CA 1.836 58.264 56.400 0.047 0.000 0.856 306 E CB -0.438 29.284 29.700 0.036 0.000 0.781 306 E HN 0.475 nan 8.360 nan 0.000 0.471 307 W N 0.881 122.149 121.300 -0.052 0.000 2.305 307 W HA -0.186 4.411 4.660 -0.105 0.000 0.308 307 W C 2.515 178.996 176.519 -0.064 0.000 1.226 307 W CA 0.695 58.001 57.345 -0.065 0.000 1.253 307 W CB -1.356 28.054 29.460 -0.082 0.000 1.146 307 W HN 0.179 nan 8.180 nan 0.000 0.507 308 L N -0.460 120.858 121.223 0.158 0.000 2.141 308 L HA -0.171 4.840 4.340 1.120 0.000 0.209 308 L C 2.041 178.950 176.870 0.066 0.000 1.094 308 L CA 1.289 56.175 54.840 0.077 0.000 0.763 308 L CB -0.830 41.239 42.059 0.017 0.000 0.908 308 L HN -0.129 nan 8.230 nan 0.000 0.437 309 D N 0.034 120.475 120.400 0.067 0.000 2.149 309 D HA -0.142 5.170 4.640 1.120 0.000 0.201 309 D C 2.125 178.457 176.300 0.054 0.000 0.972 309 D CA 0.917 54.952 54.000 0.059 0.000 0.835 309 D CB 0.035 40.871 40.800 0.059 0.000 0.966 309 D HN 0.367 nan 8.370 nan 0.000 0.476 310 E N 0.422 120.660 120.200 0.063 0.000 2.106 310 E HA -0.050 4.972 4.350 1.120 0.000 0.192 310 E C 0.605 177.220 176.600 0.025 0.000 0.984 310 E CA 0.029 56.454 56.400 0.043 0.000 0.806 310 E CB 0.003 29.730 29.700 0.044 0.000 0.750 310 E HN 0.290 nan 8.360 nan 0.000 0.458 311 L N 1.977 123.215 121.223 0.025 0.000 2.747 311 L HA -0.116 4.896 4.340 1.120 0.000 0.286 311 L C 0.535 177.427 176.870 0.036 0.000 1.216 311 L CA 0.472 55.322 54.840 0.018 0.000 0.930 311 L CB -0.654 41.428 42.059 0.037 0.000 1.216 311 L HN 0.162 nan 8.230 nan 0.000 0.486 312 E N 4.058 124.285 120.200 0.045 0.000 2.195 312 E HA 0.398 5.420 4.350 1.120 0.000 0.271 312 E C -0.265 176.377 176.600 0.070 0.000 0.923 312 E CA -0.764 55.665 56.400 0.049 0.000 0.790 312 E CB 1.252 30.977 29.700 0.042 0.000 1.155 312 E HN 0.698 nan 8.360 nan 0.000 0.402 313 E N 0.184 120.412 120.200 0.047 0.000 2.442 313 E HA 0.431 5.453 4.350 1.120 0.000 0.260 313 E C -0.080 176.545 176.600 0.042 0.000 1.148 313 E CA 0.533 56.955 56.400 0.037 0.000 0.976 313 E CB 0.596 30.294 29.700 -0.004 0.000 0.967 313 E HN 0.600 nan 8.360 nan 0.000 0.454 314 M N 0.813 120.430 119.600 0.027 0.000 2.956 314 M HA 0.197 5.349 4.480 1.120 0.000 0.272 314 M C -1.863 174.424 176.300 -0.021 0.000 1.132 314 M CA -0.741 54.566 55.300 0.013 0.000 0.805 314 M CB 1.728 34.357 32.600 0.049 0.000 1.639 314 M HN 0.426 nan 8.290 nan 0.000 0.520 315 M N 3.952 123.527 119.600 -0.041 0.000 2.055 315 M HA 0.639 5.791 4.480 1.120 0.000 0.347 315 M C -1.650 174.613 176.300 -0.063 0.000 1.123 315 M CA -0.395 54.873 55.300 -0.052 0.000 1.035 315 M CB 0.407 32.972 32.600 -0.058 0.000 1.484 315 M HN 0.476 nan 8.290 nan 0.000 0.428 316 L N 2.219 123.421 121.223 -0.034 0.000 2.341 316 L HA 0.916 5.927 4.340 1.120 0.000 0.254 316 L C -1.440 175.353 176.870 -0.128 0.000 1.040 316 L CA -1.219 53.551 54.840 -0.116 0.000 0.837 316 L CB 1.798 43.724 42.059 -0.222 0.000 1.425 316 L HN 0.251 nan 8.230 nan 0.000 0.414 317 V N 1.453 121.255 119.914 -0.187 0.000 2.472 317 V HA 0.569 5.361 4.120 1.120 0.000 0.290 317 V C -0.204 175.684 176.094 -0.343 0.000 1.037 317 V CA -0.369 61.769 62.300 -0.268 0.000 0.908 317 V CB 1.963 33.706 31.823 -0.135 0.000 0.985 317 V HN 0.543 nan 8.190 nan 0.000 0.454 318 V N 4.603 124.225 119.914 -0.487 0.000 2.531 318 V HA 0.466 5.257 4.120 1.120 0.000 0.301 318 V C -0.954 174.983 176.094 -0.261 0.000 1.034 318 V CA -0.708 61.366 62.300 -0.376 0.000 0.865 318 V CB 1.772 33.313 31.823 -0.470 0.000 0.995 318 V HN 0.947 nan 8.190 nan 0.000 0.424 319 H N 5.729 124.806 119.070 0.013 0.000 2.792 319 H HA 0.694 5.921 4.556 1.119 0.000 0.298 319 H C -0.114 175.196 175.328 -0.030 0.000 1.042 319 H CA -0.426 55.663 56.048 0.068 0.000 1.300 319 H CB 1.284 31.088 29.762 0.070 0.000 1.431 319 H HN 0.742 nan 8.280 nan 0.000 0.496 320 M N 2.311 121.953 119.600 0.070 0.000 2.550 320 M HA 0.692 5.844 4.480 1.120 0.000 0.292 320 M C -3.177 173.117 176.300 -0.010 0.000 1.221 320 M CA -2.235 53.038 55.300 -0.044 0.000 0.873 320 M CB 3.256 35.808 32.600 -0.079 0.000 1.727 320 M HN 0.135 nan 8.290 nan 0.000 0.459 321 P HA 0.226 nan 4.420 nan 0.000 0.279 321 P C -1.414 176.023 177.300 0.228 0.000 1.282 321 P CA -0.414 62.777 63.100 0.151 0.000 0.788 321 P CB 0.761 32.561 31.700 0.167 0.000 1.139 322 R N 1.121 121.726 120.500 0.175 0.000 2.332 322 R HA 0.400 5.412 4.340 1.120 0.000 0.306 322 R C -0.775 175.607 176.300 0.137 0.000 1.117 322 R CA -0.464 55.681 56.100 0.074 0.000 1.108 322 R CB -0.504 29.808 30.300 0.020 0.000 1.126 322 R HN 0.423 nan 8.270 nan 0.000 0.548 323 F N 0.331 120.253 119.950 -0.048 0.000 2.764 323 F HA 0.698 5.895 4.527 1.116 0.000 0.347 323 F C -1.158 174.557 175.800 -0.141 0.000 1.151 323 F CA -1.607 56.343 58.000 -0.083 0.000 1.021 323 F CB 1.048 39.998 39.000 -0.083 0.000 1.438 323 F HN 0.238 nan 8.300 nan 0.000 0.516 324 R N 1.313 121.760 120.500 -0.089 0.000 2.668 324 R HA 0.809 5.821 4.340 1.120 0.000 0.272 324 R C -1.991 174.233 176.300 -0.126 0.000 1.019 324 R CA -0.769 55.151 56.100 -0.300 0.000 0.894 324 R CB 2.756 32.919 30.300 -0.229 0.000 1.228 324 R HN 1.090 nan 8.270 nan 0.000 0.460 325 I N -1.210 119.181 120.570 -0.300 0.000 2.908 325 I HA 0.565 5.406 4.170 1.120 0.000 0.300 325 I C -1.802 174.215 176.117 -0.166 0.000 1.385 325 I CA -0.750 60.455 61.300 -0.158 0.000 1.004 325 I CB 2.781 40.723 38.000 -0.095 0.000 1.309 325 I HN 0.690 nan 8.210 nan 0.000 0.449 326 E N 2.548 122.759 120.200 0.019 0.000 2.356 326 E HA 0.491 5.513 4.350 1.120 0.000 0.275 326 E C -1.898 174.826 176.600 0.206 0.000 0.904 326 E CA -0.729 55.764 56.400 0.154 0.000 0.757 326 E CB 2.400 32.213 29.700 0.188 0.000 1.232 326 E HN 0.579 nan 8.360 nan 0.000 0.442 327 D N 0.373 120.947 120.400 0.290 0.000 2.671 327 D HA 0.620 5.931 4.640 1.120 0.000 0.232 327 D C -1.264 175.218 176.300 0.304 0.000 1.114 327 D CA -0.424 53.791 54.000 0.357 0.000 0.858 327 D CB 2.127 43.244 40.800 0.528 0.000 1.544 327 D HN 0.532 nan 8.370 nan 0.000 0.471 328 G N 1.349 110.366 108.800 0.360 0.000 2.741 328 G HA2 0.662 5.294 3.960 1.120 0.000 0.293 328 G HA3 0.662 5.294 3.960 1.120 0.000 0.293 328 G C -1.393 173.709 174.900 0.336 0.000 1.457 328 G CA -0.752 44.446 45.100 0.164 0.000 1.098 328 G HN 0.336 nan 8.290 nan 0.000 0.536 329 F N -0.242 119.845 119.950 0.228 0.000 2.746 329 F HA 0.720 5.918 4.527 1.119 0.000 0.311 329 F C -0.408 175.579 175.800 0.311 0.000 1.135 329 F CA -1.448 56.696 58.000 0.240 0.000 0.954 329 F CB 1.210 40.329 39.000 0.198 0.000 1.276 329 F HN 0.569 nan 8.300 nan 0.000 0.440 330 S N 1.965 117.942 115.700 0.462 0.000 2.505 330 S HA 0.375 5.517 4.470 1.120 0.000 0.276 330 S C 0.584 175.383 174.600 0.331 0.000 1.274 330 S CA -0.662 57.730 58.200 0.321 0.000 1.053 330 S CB 0.430 63.778 63.200 0.247 0.000 0.919 330 S HN 0.768 nan 8.310 nan 0.000 0.490 331 L N 4.460 125.827 121.223 0.241 0.000 2.478 331 L HA 0.031 5.042 4.340 1.120 0.000 0.223 331 L C 2.469 179.436 176.870 0.161 0.000 1.140 331 L CA 0.415 55.442 54.840 0.311 0.000 0.842 331 L CB -0.427 41.786 42.059 0.257 0.000 0.953 331 L HN 0.764 nan 8.230 nan 0.000 0.452 332 K N 1.112 121.497 120.400 -0.025 0.000 1.975 332 K HA -0.299 4.693 4.320 1.120 0.000 0.225 332 K C 1.968 178.429 176.600 -0.232 0.000 1.050 332 K CA 2.088 58.170 56.287 -0.343 0.000 0.992 332 K CB -0.212 32.017 32.500 -0.452 0.000 0.738 332 K HN 0.172 nan 8.250 nan 0.000 0.446 333 E N -0.104 120.020 120.200 -0.127 0.000 2.197 333 E HA -0.331 4.691 4.350 1.120 0.000 0.205 333 E C 2.083 178.662 176.600 -0.036 0.000 1.029 333 E CA 1.912 58.269 56.400 -0.072 0.000 0.828 333 E CB 0.047 29.732 29.700 -0.025 0.000 0.737 333 E HN 0.305 nan 8.360 nan 0.000 0.464 334 Q N -0.077 119.737 119.800 0.023 0.000 2.096 334 Q HA 0.026 5.037 4.340 1.120 0.000 0.197 334 Q C 2.204 178.220 176.000 0.026 0.000 0.964 334 Q CA 0.839 56.660 55.803 0.031 0.000 0.838 334 Q CB -0.046 28.776 28.738 0.140 0.000 0.906 334 Q HN 0.327 nan 8.270 nan 0.000 0.444 335 L N 0.193 121.478 121.223 0.103 0.000 2.275 335 L HA -0.181 4.831 4.340 1.120 0.000 0.215 335 L C 2.119 179.045 176.870 0.094 0.000 1.119 335 L CA 0.993 55.891 54.840 0.097 0.000 0.790 335 L CB -0.240 41.926 42.059 0.179 0.000 0.919 335 L HN 0.319 nan 8.230 nan 0.000 0.443 336 Q N -0.638 119.203 119.800 0.068 0.000 2.187 336 Q HA -0.152 4.860 4.340 1.120 0.000 0.199 336 Q C 1.600 177.611 176.000 0.017 0.000 0.957 336 Q CA 0.784 56.633 55.803 0.077 0.000 0.857 336 Q CB 0.075 28.828 28.738 0.025 0.000 0.929 336 Q HN 0.399 nan 8.270 nan 0.000 0.453 337 D N 0.708 121.089 120.400 -0.033 0.000 2.149 337 D HA -0.139 5.173 4.640 1.120 0.000 0.198 337 D C 1.722 177.969 176.300 -0.089 0.000 0.990 337 D CA 1.272 55.243 54.000 -0.049 0.000 0.839 337 D CB 0.072 40.833 40.800 -0.065 0.000 0.948 337 D HN 0.287 nan 8.370 nan 0.000 0.460 338 M N -1.640 117.855 119.600 -0.175 0.000 2.447 338 M HA 0.115 5.267 4.480 1.120 0.000 0.264 338 M C 1.447 177.724 176.300 -0.037 0.000 1.095 338 M CA 1.151 56.352 55.300 -0.165 0.000 1.125 338 M CB 0.770 33.225 32.600 -0.241 0.000 1.389 338 M HN 0.134 nan 8.290 nan 0.000 0.459 339 G N -0.163 108.641 108.800 0.006 0.000 2.425 339 G HA2 -0.107 4.525 3.960 1.120 0.000 0.177 339 G HA3 -0.107 4.525 3.960 1.120 0.000 0.177 339 G C -0.184 174.760 174.900 0.074 0.000 0.999 339 G CA -0.699 44.426 45.100 0.042 0.000 0.723 339 G HN 0.217 nan 8.290 nan 0.000 0.491 340 L N 2.705 123.990 121.223 0.103 0.000 2.382 340 L HA 0.680 5.691 4.340 1.120 0.000 0.259 340 L C 1.641 178.648 176.870 0.228 0.000 1.291 340 L CA 1.299 56.226 54.840 0.144 0.000 1.176 340 L CB -0.156 42.017 42.059 0.190 0.000 1.373 340 L HN 0.393 nan 8.230 nan 0.000 0.426 341 V N 2.599 122.606 119.914 0.155 0.000 2.484 341 V HA -0.102 4.689 4.120 1.120 0.000 0.236 341 V C 1.766 177.944 176.094 0.140 0.000 1.062 341 V CA 1.213 63.624 62.300 0.185 0.000 1.081 341 V CB -0.251 31.644 31.823 0.121 0.000 0.751 341 V HN 0.413 nan 8.190 nan 0.000 0.484 342 D N 0.295 120.737 120.400 0.070 0.000 2.157 342 D HA -0.255 5.056 4.640 1.120 0.000 0.191 342 D C 1.888 178.195 176.300 0.011 0.000 1.004 342 D CA 1.917 55.942 54.000 0.041 0.000 0.854 342 D CB -0.248 40.564 40.800 0.021 0.000 0.936 342 D HN 0.465 nan 8.370 nan 0.000 0.446 343 L N -0.451 120.716 121.223 -0.092 0.000 2.089 343 L HA -0.162 4.850 4.340 1.120 0.000 0.213 343 L C 1.221 177.954 176.870 -0.228 0.000 1.079 343 L CA 1.601 56.296 54.840 -0.243 0.000 0.758 343 L CB -0.459 41.319 42.059 -0.469 0.000 0.891 343 L HN 0.019 nan 8.230 nan 0.000 0.433 344 F N -1.253 118.776 119.950 0.132 0.000 2.663 344 F HA 0.276 5.474 4.527 1.119 0.000 0.299 344 F C 1.084 177.003 175.800 0.199 0.000 1.143 344 F CA 0.036 58.136 58.000 0.166 0.000 1.387 344 F CB -0.601 38.470 39.000 0.119 0.000 1.019 344 F HN 0.047 nan 8.300 nan 0.000 0.523 345 S N 0.566 116.427 115.700 0.268 0.000 2.566 345 S HA 0.378 5.520 4.470 1.120 0.000 0.324 345 S C -1.967 172.619 174.600 -0.024 0.000 1.081 345 S CA -1.626 56.647 58.200 0.122 0.000 1.105 345 S CB 1.356 64.603 63.200 0.078 0.000 0.981 345 S HN -0.141 nan 8.310 nan 0.000 0.464 346 P HA -0.059 nan 4.420 nan 0.000 0.227 346 P C 0.212 177.380 177.300 -0.221 0.000 1.145 346 P CA 1.169 63.914 63.100 -0.592 0.000 0.769 346 P CB 0.221 31.486 31.700 -0.725 0.000 0.769 347 E N -1.706 118.427 120.200 -0.110 0.000 2.357 347 E HA 0.093 5.114 4.350 1.120 0.000 0.202 347 E C 1.623 178.212 176.600 -0.019 0.000 0.855 347 E CA 0.330 56.696 56.400 -0.056 0.000 1.048 347 E CB -0.133 29.539 29.700 -0.047 0.000 1.037 347 E HN 0.071 nan 8.360 nan 0.000 0.499 348 K N 0.949 121.349 120.400 -0.000 0.000 2.305 348 K HA 0.144 5.136 4.320 1.120 0.000 0.199 348 K C 1.037 177.648 176.600 0.018 0.000 1.047 348 K CA 0.171 56.466 56.287 0.013 0.000 0.976 348 K CB 0.207 32.722 32.500 0.025 0.000 0.765 348 K HN -0.050 nan 8.250 nan 0.000 0.474 349 S N 1.424 117.142 115.700 0.030 0.000 2.560 349 S HA -0.030 5.112 4.470 1.120 0.000 0.276 349 S C -0.181 174.428 174.600 0.014 0.000 1.350 349 S CA 0.273 58.492 58.200 0.031 0.000 1.024 349 S CB 0.390 63.645 63.200 0.092 0.000 0.864 349 S HN 0.090 nan 8.310 nan 0.000 0.536 350 K N 3.011 123.409 120.400 -0.004 0.000 2.793 350 K HA 0.406 5.398 4.320 1.120 0.000 0.269 350 K C -1.501 175.078 176.600 -0.036 0.000 1.124 350 K CA 0.124 56.402 56.287 -0.014 0.000 1.074 350 K CB 0.508 33.003 32.500 -0.009 0.000 1.322 350 K HN 0.605 nan 8.250 nan 0.000 0.532 351 L N 5.061 126.255 121.223 -0.049 0.000 2.556 351 L HA 0.379 5.391 4.340 1.120 0.000 0.243 351 L C -1.598 175.209 176.870 -0.105 0.000 1.331 351 L CA -1.108 53.679 54.840 -0.088 0.000 0.927 351 L CB 1.374 43.370 42.059 -0.106 0.000 1.219 351 L HN 0.366 nan 8.230 nan 0.000 0.490 352 P HA 0.041 nan 4.420 nan 0.000 0.249 352 P C 1.115 178.348 177.300 -0.112 0.000 1.229 352 P CA 0.381 63.429 63.100 -0.086 0.000 0.788 352 P CB 0.624 32.292 31.700 -0.053 0.000 1.072 353 G N -0.072 108.634 108.800 -0.157 0.000 3.042 353 G HA2 0.047 4.679 3.960 1.120 0.000 0.212 353 G HA3 0.047 4.679 3.960 1.120 0.000 0.212 353 G C 1.317 176.023 174.900 -0.323 0.000 1.166 353 G CA -0.027 44.972 45.100 -0.169 0.000 0.767 353 G HN 0.209 nan 8.290 nan 0.000 0.546 354 I N 0.546 120.847 120.570 -0.448 0.000 2.385 354 I HA 0.065 4.907 4.170 1.120 0.000 0.244 354 I C 0.846 176.885 176.117 -0.130 0.000 1.089 354 I CA 0.425 61.384 61.300 -0.567 0.000 1.410 354 I CB -0.038 37.644 38.000 -0.530 0.000 1.117 354 I HN 0.007 nan 8.210 nan 0.000 0.429 355 V N -0.942 118.869 119.914 -0.173 0.000 2.398 355 V HA 0.694 5.486 4.120 1.120 0.000 0.286 355 V C 0.777 176.781 176.094 -0.150 0.000 1.026 355 V CA -0.531 61.627 62.300 -0.235 0.000 0.868 355 V CB 1.176 32.788 31.823 -0.352 0.000 0.982 355 V HN 0.159 nan 8.190 nan 0.000 0.443 356 A N 4.207 126.956 122.820 -0.120 0.000 1.832 356 A HA 0.184 5.176 4.320 1.120 0.000 0.214 356 A C 0.885 178.417 177.584 -0.085 0.000 1.204 356 A CA 1.494 53.489 52.037 -0.070 0.000 0.606 356 A CB -0.322 18.657 19.000 -0.034 0.000 0.849 356 A HN 1.160 nan 8.150 nan 0.000 0.445 357 E N -4.653 115.481 120.200 -0.111 0.000 2.390 357 E HA 0.522 5.543 4.350 1.120 0.000 0.277 357 E C 0.033 176.559 176.600 -0.123 0.000 0.939 357 E CA -0.607 55.736 56.400 -0.095 0.000 0.769 357 E CB 1.241 30.904 29.700 -0.061 0.000 1.251 357 E HN 0.992 nan 8.360 nan 0.000 0.450 358 G N 0.886 109.629 108.800 -0.095 0.000 2.284 358 G HA2 -0.176 4.456 3.960 1.120 0.000 0.201 358 G HA3 -0.176 4.456 3.960 1.120 0.000 0.201 358 G C -0.053 174.799 174.900 -0.080 0.000 0.998 358 G CA -0.030 45.017 45.100 -0.089 0.000 0.651 358 G HN 0.576 nan 8.290 nan 0.000 0.489 359 R N 1.462 121.906 120.500 -0.092 0.000 2.518 359 R HA 0.418 5.430 4.340 1.120 0.000 0.287 359 R C -1.352 174.917 176.300 -0.052 0.000 1.135 359 R CA -0.703 55.359 56.100 -0.064 0.000 0.967 359 R CB 0.730 30.988 30.300 -0.069 0.000 1.212 359 R HN 0.175 nan 8.270 nan 0.000 0.422 360 D N 2.656 123.040 120.400 -0.028 0.000 2.455 360 D HA -0.001 5.311 4.640 1.120 0.000 0.241 360 D C -0.448 175.849 176.300 -0.006 0.000 1.138 360 D CA 0.397 54.385 54.000 -0.019 0.000 0.877 360 D CB 0.630 41.423 40.800 -0.012 0.000 1.187 360 D HN 0.533 nan 8.370 nan 0.000 0.451 361 D N 0.788 121.182 120.400 -0.010 0.000 4.428 361 D HA -0.124 5.187 4.640 1.120 0.000 0.170 361 D C -0.271 176.063 176.300 0.057 0.000 1.041 361 D CA 0.892 54.895 54.000 0.006 0.000 0.673 361 D CB 0.202 41.003 40.800 0.001 0.000 1.183 361 D HN 0.207 nan 8.370 nan 0.000 0.623 362 L N 2.351 123.610 121.223 0.060 0.000 2.360 362 L HA 0.666 5.678 4.340 1.120 0.000 0.271 362 L C -0.078 176.892 176.870 0.166 0.000 1.057 362 L CA -1.148 53.762 54.840 0.116 0.000 0.803 362 L CB 0.673 42.737 42.059 0.010 0.000 1.207 362 L HN 0.347 nan 8.230 nan 0.000 0.445 363 Y N -0.391 119.893 120.300 -0.026 0.000 2.698 363 Y HA 0.784 6.006 4.550 1.120 0.000 0.332 363 Y C -0.781 175.108 175.900 -0.018 0.000 1.119 363 Y CA -1.995 56.089 58.100 -0.025 0.000 1.109 363 Y CB 0.945 39.409 38.460 0.006 0.000 1.308 363 Y HN 0.179 nan 8.280 nan 0.000 0.499 364 V N 2.782 122.581 119.914 -0.191 0.000 2.288 364 V HA 0.153 4.944 4.120 1.120 0.000 0.266 364 V C 1.066 177.095 176.094 -0.107 0.000 1.048 364 V CA 0.351 62.525 62.300 -0.211 0.000 0.842 364 V CB -0.181 31.555 31.823 -0.146 0.000 1.064 364 V HN 1.020 nan 8.190 nan 0.000 0.472 365 S N 2.695 118.159 115.700 -0.393 0.000 2.374 365 S HA -0.133 5.008 4.470 1.120 0.000 0.227 365 S C 0.643 175.269 174.600 0.043 0.000 1.037 365 S CA 1.552 59.666 58.200 -0.145 0.000 1.024 365 S CB 0.058 63.165 63.200 -0.156 0.000 0.861 365 S HN 0.763 nan 8.310 nan 0.000 0.456 366 D N -1.260 119.129 120.400 -0.019 0.000 2.804 366 D HA 0.614 5.926 4.640 1.120 0.000 0.309 366 D C -2.013 174.081 176.300 -0.343 0.000 1.311 366 D CA 0.186 54.097 54.000 -0.149 0.000 0.765 366 D CB 1.245 41.880 40.800 -0.276 0.000 1.293 366 D HN 0.505 nan 8.370 nan 0.000 0.434 367 A N 0.527 122.972 122.820 -0.624 0.000 2.520 367 A HA 0.734 5.726 4.320 1.120 0.000 0.298 367 A C -1.743 175.378 177.584 -0.771 0.000 1.051 367 A CA -0.516 51.212 52.037 -0.515 0.000 0.690 367 A CB 0.951 19.978 19.000 0.046 0.000 1.281 367 A HN 0.249 nan 8.150 nan 0.000 0.402 368 F N 0.187 120.203 119.950 0.109 0.000 2.593 368 F HA 0.796 5.995 4.527 1.119 0.000 0.320 368 F C 0.102 175.952 175.800 0.084 0.000 1.060 368 F CA -0.407 57.636 58.000 0.071 0.000 0.940 368 F CB 2.165 41.185 39.000 0.034 0.000 1.268 368 F HN 0.817 nan 8.300 nan 0.000 0.475 369 H N 0.667 119.743 119.070 0.009 0.000 3.012 369 H HA 0.679 5.906 4.556 1.119 0.000 0.367 369 H C -1.696 173.509 175.328 -0.205 0.000 1.211 369 H CA -1.078 54.888 56.048 -0.136 0.000 1.139 369 H CB 2.124 31.696 29.762 -0.317 0.000 1.838 369 H HN 0.616 nan 8.280 nan 0.000 0.550 370 K N 2.254 122.202 120.400 -0.754 0.000 2.546 370 K HA 0.830 5.822 4.320 1.120 0.000 0.264 370 K C -2.071 174.268 176.600 -0.435 0.000 0.937 370 K CA -0.214 55.819 56.287 -0.423 0.000 0.833 370 K CB 1.985 34.404 32.500 -0.134 0.000 1.378 370 K HN 0.764 nan 8.250 nan 0.000 0.432 371 A N 2.354 125.128 122.820 -0.076 0.000 2.556 371 A HA 0.839 5.831 4.320 1.120 0.000 0.294 371 A C -2.023 175.807 177.584 0.410 0.000 1.091 371 A CA -0.629 51.495 52.037 0.146 0.000 0.704 371 A CB 1.024 20.084 19.000 0.101 0.000 1.300 371 A HN 0.638 nan 8.150 nan 0.000 0.406 372 F N 1.073 121.192 119.950 0.282 0.000 2.581 372 F HA 0.741 5.941 4.527 1.122 0.000 0.311 372 F C -1.864 173.986 175.800 0.083 0.000 1.113 372 F CA -0.945 57.151 58.000 0.161 0.000 0.935 372 F CB 1.885 40.918 39.000 0.054 0.000 1.232 372 F HN 0.662 nan 8.300 nan 0.000 0.445 373 L N 4.849 125.505 121.223 -0.946 0.000 2.431 373 L HA 0.680 5.692 4.340 1.120 0.000 0.266 373 L C -1.681 174.546 176.870 -1.071 0.000 0.978 373 L CA -0.193 54.100 54.840 -0.913 0.000 0.822 373 L CB 2.118 43.427 42.059 -1.250 0.000 1.310 373 L HN 0.784 nan 8.230 nan 0.000 0.409 374 E N 2.928 122.708 120.200 -0.700 0.000 2.340 374 E HA 0.826 5.848 4.350 1.120 0.000 0.273 374 E C -2.046 174.285 176.600 -0.449 0.000 0.891 374 E CA -0.675 55.374 56.400 -0.584 0.000 0.757 374 E CB 2.279 31.812 29.700 -0.277 0.000 1.231 374 E HN 0.502 nan 8.360 nan 0.000 0.439 375 V N 3.380 122.996 119.914 -0.496 0.000 3.087 375 V HA 0.653 5.444 4.120 1.120 0.000 0.306 375 V C -0.846 175.175 176.094 -0.122 0.000 1.187 375 V CA -0.741 61.407 62.300 -0.254 0.000 0.999 375 V CB 2.027 33.708 31.823 -0.237 0.000 1.049 375 V HN 0.958 nan 8.190 nan 0.000 0.431 376 N N 1.130 119.877 118.700 0.078 0.000 3.395 376 N HA 0.204 5.616 4.740 1.120 0.000 0.293 376 N C 0.182 175.858 175.510 0.278 0.000 1.489 376 N CA -0.514 52.583 53.050 0.078 0.000 0.871 376 N CB 0.695 39.198 38.487 0.026 0.000 1.649 376 N HN 0.329 nan 8.380 nan 0.000 0.501 377 E N -0.163 120.139 120.200 0.170 0.000 2.118 377 E HA -0.122 4.900 4.350 1.120 0.000 0.195 377 E C 0.776 177.678 176.600 0.505 0.000 0.992 377 E CA 1.750 58.358 56.400 0.346 0.000 0.804 377 E CB -0.091 29.758 29.700 0.249 0.000 0.741 377 E HN 0.585 nan 8.360 nan 0.000 0.458 378 E N -0.712 119.670 120.200 0.303 0.000 2.072 378 E HA 0.112 5.134 4.350 1.120 0.000 0.190 378 E C 1.082 177.776 176.600 0.157 0.000 0.982 378 E CA 1.164 57.697 56.400 0.222 0.000 0.803 378 E CB -0.015 29.744 29.700 0.098 0.000 0.755 378 E HN 0.279 nan 8.360 nan 0.000 0.453 379 G N -1.630 107.146 108.800 -0.041 0.000 2.601 379 G HA2 0.306 4.938 3.960 1.120 0.000 0.080 379 G HA3 0.306 4.938 3.960 1.120 0.000 0.080 379 G C -0.959 173.593 174.900 -0.580 0.000 1.046 379 G CA 0.052 44.757 45.100 -0.658 0.000 1.143 379 G HN 0.131 nan 8.290 nan 0.000 0.507 380 S N -0.658 114.776 115.700 -0.443 0.000 2.552 380 S HA 0.613 5.755 4.470 1.120 0.000 0.272 380 S C -1.817 172.509 174.600 -0.455 0.000 1.150 380 S CA 0.070 58.082 58.200 -0.314 0.000 0.849 380 S CB 1.839 64.981 63.200 -0.097 0.000 1.113 380 S HN 0.935 nan 8.310 nan 0.000 0.458 381 E N 1.516 121.526 120.200 -0.317 0.000 2.367 381 E HA 0.802 5.824 4.350 1.120 0.000 0.273 381 E C -1.392 175.116 176.600 -0.154 0.000 0.903 381 E CA -0.818 55.375 56.400 -0.344 0.000 0.764 381 E CB 2.002 31.607 29.700 -0.159 0.000 1.252 381 E HN 0.948 nan 8.360 nan 0.000 0.446 382 A N 1.348 124.069 122.820 -0.165 0.000 2.597 382 A HA 0.857 5.849 4.320 1.120 0.000 0.292 382 A C -1.742 175.768 177.584 -0.124 0.000 1.057 382 A CA -0.027 51.938 52.037 -0.121 0.000 0.674 382 A CB 1.391 20.123 19.000 -0.447 0.000 1.278 382 A HN 0.881 nan 8.150 nan 0.000 0.416 383 A N -0.526 122.317 122.820 0.039 0.000 2.610 383 A HA 1.105 6.097 4.320 1.120 0.000 0.291 383 A C -0.595 177.181 177.584 0.320 0.000 1.086 383 A CA 0.050 52.234 52.037 0.245 0.000 0.677 383 A CB 0.999 20.154 19.000 0.258 0.000 1.278 383 A HN 2.764 nan 8.150 nan 0.000 0.414 384 A N -0.186 122.858 122.820 0.372 0.000 2.594 384 A HA 0.881 5.873 4.320 1.120 0.000 0.296 384 A C -0.687 177.027 177.584 0.216 0.000 1.061 384 A CA 0.284 52.488 52.037 0.278 0.000 0.689 384 A CB 1.173 20.460 19.000 0.479 0.000 1.280 384 A HN 2.170 nan 8.150 nan 0.000 0.406 385 S N -0.262 115.503 115.700 0.108 0.000 2.546 385 S HA 0.871 6.013 4.470 1.120 0.000 0.274 385 S C -0.923 173.833 174.600 0.259 0.000 1.121 385 S CA -0.150 58.156 58.200 0.176 0.000 0.887 385 S CB 1.769 65.054 63.200 0.141 0.000 1.094 385 S HN 1.077 nan 8.310 nan 0.000 0.474 386 T N 2.662 117.378 114.554 0.270 0.000 2.881 386 T HA 0.782 5.804 4.350 1.120 0.000 0.290 386 T C -0.949 173.846 174.700 0.159 0.000 1.000 386 T CA -0.492 61.766 62.100 0.263 0.000 0.978 386 T CB 1.518 70.520 68.868 0.225 0.000 0.997 386 T HN 0.874 nan 8.240 nan 0.000 0.443 387 A N 2.486 125.397 122.820 0.152 0.000 2.343 387 A HA 0.759 5.750 4.320 1.120 0.000 0.308 387 A C -0.778 176.815 177.584 0.015 0.000 1.092 387 A CA -0.685 51.422 52.037 0.117 0.000 0.751 387 A CB 1.086 20.217 19.000 0.218 0.000 1.203 387 A HN 0.681 nan 8.150 nan 0.000 0.452 388 V N 3.080 122.942 119.914 -0.087 0.000 2.334 388 V HA 0.431 5.223 4.120 1.120 0.000 0.281 388 V C 0.038 176.069 176.094 -0.104 0.000 1.016 388 V CA -0.666 61.520 62.300 -0.190 0.000 0.832 388 V CB 1.126 32.699 31.823 -0.417 0.000 0.999 388 V HN 0.771 nan 8.190 nan 0.000 0.439 389 V N 6.968 126.833 119.914 -0.081 0.000 2.407 389 V HA 0.514 5.306 4.120 1.120 0.000 0.278 389 V C -0.216 175.792 176.094 -0.144 0.000 1.037 389 V CA -0.348 61.911 62.300 -0.068 0.000 0.900 389 V CB 1.215 33.041 31.823 0.004 0.000 0.983 389 V HN 0.659 nan 8.190 nan 0.000 0.459 390 I N 6.689 127.170 120.570 -0.149 0.000 2.331 390 I HA 0.457 5.299 4.170 1.120 0.000 0.292 390 I C 0.965 176.926 176.117 -0.261 0.000 0.998 390 I CA 0.046 61.218 61.300 -0.212 0.000 1.267 390 I CB 0.555 38.487 38.000 -0.113 0.000 1.386 390 I HN 1.035 nan 8.210 nan 0.000 0.476 391 A N 4.511 127.026 122.820 -0.509 0.000 2.519 391 A HA -0.020 4.971 4.320 1.120 0.000 0.297 391 A C 0.689 178.164 177.584 -0.183 0.000 1.472 391 A CA 0.851 52.628 52.037 -0.434 0.000 0.739 391 A CB -1.901 17.050 19.000 -0.081 0.000 1.096 391 A HN 1.125 nan 8.150 nan 0.000 0.414 392 G N -0.981 107.709 108.800 -0.183 0.000 3.211 392 G HA2 0.634 5.266 3.960 1.120 0.000 0.262 392 G HA3 0.634 5.266 3.960 1.120 0.000 0.262 392 G C -0.238 174.671 174.900 0.015 0.000 1.352 392 G CA -0.726 44.328 45.100 -0.077 0.000 1.004 392 G HN 0.712 nan 8.290 nan 0.000 0.559 393 R N -0.198 120.321 120.500 0.031 0.000 2.570 393 R HA 0.297 5.309 4.340 1.120 0.000 0.277 393 R C 1.019 177.382 176.300 0.105 0.000 1.039 393 R CA 0.457 56.597 56.100 0.068 0.000 1.065 393 R CB 0.917 31.246 30.300 0.049 0.000 0.964 393 R HN 0.362 nan 8.270 nan 0.000 0.428 394 S N 2.398 118.170 115.700 0.120 0.000 2.602 394 S HA 0.467 5.609 4.470 1.120 0.000 0.246 394 S C -0.378 174.291 174.600 0.116 0.000 1.009 394 S CA 0.294 58.571 58.200 0.129 0.000 1.052 394 S CB -1.058 62.237 63.200 0.158 0.000 0.778 394 S HN 0.486 nan 8.310 nan 0.000 0.455 398 N N 0.076 118.826 118.700 0.084 0.000 3.340 398 N HA 0.545 5.957 4.740 1.120 0.000 0.234 398 N C -0.819 174.737 175.510 0.077 0.000 1.196 398 N CA 0.117 53.213 53.050 0.076 0.000 0.958 398 N CB 2.447 40.962 38.487 0.047 0.000 1.608 398 N HN 0.903 nan 8.380 nan 0.000 0.515 399 R N 0.136 120.688 120.500 0.087 0.000 3.236 399 R HA 0.731 5.743 4.340 1.120 0.000 0.234 399 R C -0.221 176.117 176.300 0.063 0.000 1.541 399 R CA 0.128 56.280 56.100 0.085 0.000 1.038 399 R CB -0.658 29.722 30.300 0.134 0.000 1.587 399 R HN 0.260 nan 8.270 nan 0.000 0.515 400 V N 1.881 121.834 119.914 0.065 0.000 2.539 400 V HA 0.164 4.956 4.120 1.120 0.000 0.300 400 V C 0.129 176.242 176.094 0.032 0.000 1.019 400 V CA 0.999 63.325 62.300 0.045 0.000 1.160 400 V CB 0.826 32.679 31.823 0.050 0.000 0.901 400 V HN 0.806 nan 8.190 nan 0.000 0.481 401 T N 5.045 119.607 114.554 0.013 0.000 3.444 401 T HA 0.379 5.401 4.350 1.120 0.000 0.265 401 T C -0.175 174.518 174.700 -0.012 0.000 1.537 401 T CA -0.047 62.052 62.100 -0.002 0.000 1.530 401 T CB -0.127 68.738 68.868 -0.005 0.000 0.958 401 T HN 0.588 nan 8.240 nan 0.000 0.684 402 F N 1.723 121.664 119.950 -0.014 0.000 2.413 402 F HA 0.537 5.736 4.527 1.120 0.000 0.359 402 F C 0.691 176.471 175.800 -0.034 0.000 1.122 402 F CA -1.871 56.114 58.000 -0.025 0.000 1.160 402 F CB -0.249 38.734 39.000 -0.029 0.000 1.146 402 F HN 0.302 nan 8.300 nan 0.000 0.514 403 K N 2.823 123.203 120.400 -0.032 0.000 2.316 403 K HA 0.767 5.759 4.320 1.120 0.000 0.289 403 K C 0.084 176.667 176.600 -0.029 0.000 1.070 403 K CA 0.066 56.334 56.287 -0.031 0.000 0.928 403 K CB 0.257 32.739 32.500 -0.030 0.000 1.039 403 K HN 1.920 nan 8.250 nan 0.000 0.480 404 A N 2.329 125.140 122.820 -0.015 0.000 3.563 404 A HA 0.702 5.694 4.320 1.120 0.000 0.195 404 A C 0.138 177.790 177.584 0.112 0.000 1.891 404 A CA 0.294 52.347 52.037 0.027 0.000 1.864 404 A CB 0.004 18.994 19.000 -0.017 0.000 1.323 404 A HN 0.967 nan 8.150 nan 0.000 0.390 405 N N -4.384 114.445 118.700 0.216 0.000 4.107 405 N HA 0.425 5.836 4.740 1.120 0.000 0.213 405 N C -0.630 175.029 175.510 0.247 0.000 1.216 405 N CA 0.813 53.983 53.050 0.201 0.000 0.925 405 N CB 0.670 39.253 38.487 0.160 0.000 1.541 405 N HN 1.388 nan 8.380 nan 0.000 0.524 406 R N -0.013 120.561 120.500 0.124 0.000 2.607 406 R HA -0.103 4.909 4.340 1.120 0.000 0.261 406 R C -2.574 173.854 176.300 0.214 0.000 0.918 406 R CA 1.237 57.410 56.100 0.123 0.000 0.760 406 R CB -2.599 27.727 30.300 0.043 0.000 1.899 406 R HN 0.601 nan 8.270 nan 0.000 0.528 407 P HA 0.853 nan 4.420 nan 0.000 0.285 407 P C -0.770 176.640 177.300 0.184 0.000 1.280 407 P CA -0.813 62.348 63.100 0.103 0.000 0.862 407 P CB 1.163 32.854 31.700 -0.015 0.000 1.153 408 F N -1.151 118.814 119.950 0.026 0.000 2.599 408 F HA 0.580 5.771 4.527 1.107 0.000 0.311 408 F C -0.914 174.912 175.800 0.042 0.000 1.076 408 F CA -1.543 56.483 58.000 0.043 0.000 0.937 408 F CB 0.608 39.632 39.000 0.041 0.000 1.282 408 F HN 0.017 nan 8.300 nan 0.000 0.460 409 L N 2.532 123.836 121.223 0.135 0.000 2.439 409 L HA 0.745 5.757 4.340 1.120 0.000 0.261 409 L C -0.321 176.618 176.870 0.115 0.000 1.153 409 L CA -1.260 53.590 54.840 0.017 0.000 0.808 409 L CB 1.405 43.499 42.059 0.058 0.000 1.126 409 L HN 0.712 nan 8.230 nan 0.000 0.460 410 V N 1.605 121.484 119.914 -0.059 0.000 2.888 410 V HA 0.590 5.382 4.120 1.120 0.000 0.309 410 V C -1.509 174.549 176.094 -0.061 0.000 1.114 410 V CA -0.325 62.049 62.300 0.124 0.000 0.940 410 V CB 2.159 34.096 31.823 0.189 0.000 1.021 410 V HN 0.519 nan 8.190 nan 0.000 0.426 411 F N 5.467 125.574 119.950 0.262 0.000 2.588 411 F HA 0.688 5.932 4.527 1.195 0.000 0.310 411 F C -0.163 175.812 175.800 0.292 0.000 1.082 411 F CA -0.636 57.509 58.000 0.242 0.000 0.929 411 F CB 2.322 41.413 39.000 0.153 0.000 1.254 411 F HN 0.266 nan 8.300 nan 0.000 0.455 412 I N 3.786 124.652 120.570 0.493 0.000 2.476 412 I HA 0.439 5.280 4.170 1.120 0.000 0.281 412 I C -0.799 175.455 176.117 0.229 0.000 1.040 412 I CA -0.597 60.936 61.300 0.390 0.000 1.094 412 I CB 1.586 39.839 38.000 0.420 0.000 1.219 412 I HN 0.656 nan 8.210 nan 0.000 0.450 413 R N 4.184 124.790 120.500 0.176 0.000 2.919 413 R HA 0.587 5.599 4.340 1.120 0.000 0.260 413 R C -0.737 175.582 176.300 0.032 0.000 1.067 413 R CA -0.895 55.247 56.100 0.070 0.000 1.003 413 R CB 2.119 32.453 30.300 0.056 0.000 1.192 413 R HN 0.323 nan 8.270 nan 0.000 0.488 414 E N 1.676 121.866 120.200 -0.016 0.000 2.035 414 E HA 0.159 5.181 4.350 1.120 0.000 0.271 414 E C 1.280 177.886 176.600 0.009 0.000 0.953 414 E CA -0.061 56.328 56.400 -0.018 0.000 0.777 414 E CB 1.593 31.250 29.700 -0.070 0.000 1.104 414 E HN 0.703 nan 8.360 nan 0.000 0.408 415 V N 6.308 126.250 119.914 0.047 0.000 2.236 415 V HA -0.297 4.495 4.120 1.120 0.000 0.255 415 V C -0.294 175.838 176.094 0.063 0.000 1.068 415 V CA 2.420 64.756 62.300 0.061 0.000 1.044 415 V CB -2.033 29.838 31.823 0.080 0.000 0.653 415 V HN 0.543 nan 8.190 nan 0.000 0.448 416 P HA -0.158 nan 4.420 nan 0.000 0.219 416 P C 1.004 178.384 177.300 0.134 0.000 1.151 416 P CA 2.232 65.381 63.100 0.081 0.000 0.850 416 P CB -0.137 31.600 31.700 0.061 0.000 0.784 417 L N -7.641 113.642 121.223 0.100 0.000 3.695 417 L HA 0.404 5.416 4.340 1.120 0.000 0.349 417 L C -0.762 176.049 176.870 -0.097 0.000 1.304 417 L CA -0.340 54.574 54.840 0.123 0.000 1.078 417 L CB -0.289 41.875 42.059 0.174 0.000 1.440 417 L HN -0.157 nan 8.230 nan 0.000 0.620 418 N N 1.504 120.167 118.700 -0.062 0.000 2.726 418 N HA -0.121 5.291 4.740 1.120 0.000 0.253 418 N C -0.467 174.950 175.510 -0.156 0.000 1.059 418 N CA 1.314 54.294 53.050 -0.116 0.000 0.701 418 N CB -1.053 37.339 38.487 -0.159 0.000 0.899 418 N HN 0.528 nan 8.380 nan 0.000 0.548 419 T N 1.362 115.845 114.554 -0.119 0.000 2.767 419 T HA 0.493 5.515 4.350 1.120 0.000 0.288 419 T C 1.124 175.778 174.700 -0.077 0.000 0.963 419 T CA -0.446 61.579 62.100 -0.125 0.000 1.019 419 T CB 1.448 70.229 68.868 -0.144 0.000 0.923 419 T HN 0.127 nan 8.240 nan 0.000 0.468 420 I N 4.242 124.783 120.570 -0.049 0.000 2.379 420 I HA 0.222 5.064 4.170 1.120 0.000 0.290 420 I C 0.884 176.963 176.117 -0.064 0.000 1.063 420 I CA -0.159 61.152 61.300 0.018 0.000 1.351 420 I CB 0.646 38.702 38.000 0.094 0.000 1.410 420 I HN 0.684 nan 8.210 nan 0.000 0.505 421 I N 5.312 125.804 120.570 -0.129 0.000 2.927 421 I HA 0.137 4.979 4.170 1.120 0.000 0.268 421 I C -0.103 175.562 176.117 -0.753 0.000 1.153 421 I CA 0.799 61.837 61.300 -0.435 0.000 1.459 421 I CB 0.256 37.972 38.000 -0.474 0.000 1.149 421 I HN 0.324 nan 8.210 nan 0.000 0.443 422 F N 0.969 120.960 119.950 0.067 0.000 2.631 422 F HA 0.627 5.823 4.527 1.115 0.000 0.308 422 F C -0.318 175.529 175.800 0.079 0.000 1.097 422 F CA -1.086 56.920 58.000 0.010 0.000 0.952 422 F CB 1.877 40.940 39.000 0.106 0.000 1.307 422 F HN -0.220 nan 8.300 nan 0.000 0.450 423 M N 1.171 120.883 119.600 0.187 0.000 2.562 423 M HA 0.934 6.086 4.480 1.120 0.000 0.281 423 M C -0.996 175.369 176.300 0.108 0.000 1.195 423 M CA -0.300 54.986 55.300 -0.023 0.000 0.888 423 M CB 2.570 35.050 32.600 -0.200 0.000 1.731 423 M HN 0.868 nan 8.290 nan 0.000 0.493 424 G N 1.301 110.090 108.800 -0.019 0.000 2.348 424 G HA2 0.494 5.126 3.960 1.120 0.000 0.296 424 G HA3 0.494 5.126 3.960 1.120 0.000 0.296 424 G C -2.354 172.563 174.900 0.027 0.000 1.258 424 G CA -0.980 44.246 45.100 0.210 0.000 0.868 424 G HN 0.918 nan 8.290 nan 0.000 0.488 425 R N 0.101 120.636 120.500 0.058 0.000 2.502 425 R HA 0.556 5.568 4.340 1.120 0.000 0.298 425 R C -1.403 174.736 176.300 -0.268 0.000 1.018 425 R CA -0.429 55.603 56.100 -0.112 0.000 0.899 425 R CB 1.828 32.134 30.300 0.009 0.000 1.181 425 R HN 0.407 nan 8.270 nan 0.000 0.444 426 V N 4.480 124.023 119.914 -0.618 0.000 2.408 426 V HA 0.331 5.122 4.120 1.120 0.000 0.267 426 V C 0.853 176.577 176.094 -0.616 0.000 1.047 426 V CA 0.211 62.068 62.300 -0.739 0.000 0.937 426 V CB 1.014 32.098 31.823 -1.230 0.000 0.999 426 V HN 0.960 nan 8.190 nan 0.000 0.472 427 A N 4.106 126.725 122.820 -0.336 0.000 2.192 427 A HA 0.265 5.256 4.320 1.120 0.000 0.208 427 A C 0.947 178.406 177.584 -0.209 0.000 1.220 427 A CA 0.097 52.034 52.037 -0.166 0.000 0.900 427 A CB 0.177 19.124 19.000 -0.089 0.000 0.937 427 A HN 0.626 nan 8.150 nan 0.000 0.487 428 N N 0.786 119.289 118.700 -0.329 0.000 2.746 428 N HA 0.232 5.644 4.740 1.120 0.000 0.250 428 N C -2.390 172.854 175.510 -0.443 0.000 1.146 428 N CA -1.319 51.450 53.050 -0.469 0.000 0.828 428 N CB 1.660 39.971 38.487 -0.294 0.000 1.158 428 N HN 0.078 nan 8.380 nan 0.000 0.519 429 P HA 0.047 nan 4.420 nan 0.000 0.237 429 P C 0.174 177.376 177.300 -0.163 0.000 1.178 429 P CA 0.009 62.926 63.100 -0.305 0.000 0.766 429 P CB -0.008 31.572 31.700 -0.200 0.000 0.876 430 c N 1.366 119.790 118.600 -0.294 0.000 2.681 430 c HA 0.260 5.502 4.570 1.120 0.000 0.396 430 c C 1.337 175.391 174.090 -0.060 0.000 1.363 430 c CA 0.071 56.302 56.329 -0.163 0.000 1.366 430 c CB -2.186 40.200 42.510 -0.207 0.000 2.251 430 c HN 0.207 nan 8.230 nan 0.000 0.619 431 V N 0.000 119.911 119.914 -0.005 0.000 2.409 431 V HA 0.000 4.792 4.120 1.120 0.000 0.244 431 V CA 0.000 62.310 62.300 0.017 0.000 1.235 431 V CB 0.000 31.850 31.823 0.046 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556