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 2znh_1_B DATA FIRST_RESID 1 DATA SEQUENCE HGSPVDIcTA KPRDIPMNPM cIYRSPEXXX XXXXXXXXXX XXATNRRVWE DATA SEQUENCE LSKANSRFAT TFYQHLADSK NDNDNIFLSP LSISTAFAMT KLGAcNDTLQ DATA SEQUENCE QLMEVFKFDT ISEKTSDQIH FFFAKLNcRL YRXXXXSSKL VSANRLFGDK DATA SEQUENCE SLTFNETYQD ISELVYGAKL QPLDFKENAE QSRAAINKWV SNKTEGRITD DATA SEQUENCE VIPSEAINEL TVLVLVNTIY FKGLWKSKFS PENTRKELFY KADGEScSAS DATA SEQUENCE MMYQEGKFRY RRVAEGTQVL ELPFKGDDIT MVLILPKPEK SLAKVEKELT DATA SEQUENCE PEVLQEWLDE LEEMMLVVHM PRFRIEDGFS LKEQLQDMGL VDLFSPEKSK DATA SEQUENCE LPGIVAEGRD DLYVSDAFHK AFLEVNEEGS EAAASTAVVI AGRSLNPNRV DATA SEQUENCE TFKANRPFLV FIREVPLNTI IFMGRVANPc V 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 1 H HA 0.000 nan 4.556 nan 0.000 0.296 1 H C 0.000 175.328 175.328 -0.001 0.000 0.993 1 H CA 0.000 56.048 56.048 -0.000 0.000 1.023 1 H CB 0.000 29.762 29.762 -0.000 0.000 1.292 2 G N 2.243 110.819 108.800 -0.373 0.000 2.416 2 G HA2 0.436 4.398 3.960 0.004 0.000 0.324 2 G HA3 0.436 4.398 3.960 0.004 0.000 0.324 2 G C -0.950 173.784 174.900 -0.276 0.000 1.194 2 G CA -0.445 44.528 45.100 -0.212 0.000 0.922 2 G HN 0.442 nan 8.290 nan 0.000 0.467 3 S N 3.032 118.689 115.700 -0.072 0.000 2.659 3 S HA 0.598 5.070 4.470 0.004 0.000 0.312 3 S C -2.130 172.471 174.600 0.002 0.000 1.114 3 S CA -1.206 56.988 58.200 -0.010 0.000 1.063 3 S CB 1.306 64.579 63.200 0.122 0.000 0.996 3 S HN 0.583 nan 8.310 nan 0.000 0.478 4 P HA 0.131 nan 4.420 nan 0.000 0.265 4 P C -0.292 177.012 177.300 0.007 0.000 1.222 4 P CA -0.297 62.800 63.100 -0.006 0.000 0.767 4 P CB 0.396 32.090 31.700 -0.010 0.000 0.801 5 V N 3.845 123.762 119.914 0.005 0.000 2.694 5 V HA -0.004 4.118 4.120 0.004 0.000 0.306 5 V C 0.709 176.809 176.094 0.009 0.000 1.054 5 V CA 0.820 63.126 62.300 0.010 0.000 1.161 5 V CB 0.321 32.147 31.823 0.005 0.000 0.916 5 V HN 0.703 nan 8.190 nan 0.000 0.490 6 D N 4.107 124.517 120.400 0.017 0.000 2.616 6 D HA 0.260 4.902 4.640 0.004 0.000 0.238 6 D C 0.563 176.881 176.300 0.030 0.000 1.354 6 D CA -0.595 53.417 54.000 0.020 0.000 0.970 6 D CB 1.280 42.095 40.800 0.024 0.000 1.369 6 D HN 0.200 nan 8.370 nan 0.000 0.585 7 I N 2.162 122.750 120.570 0.029 0.000 2.361 7 I HA -0.233 3.940 4.170 0.004 0.000 0.251 7 I C 2.150 178.305 176.117 0.064 0.000 1.133 7 I CA 0.761 62.093 61.300 0.054 0.000 1.413 7 I CB -0.582 37.440 38.000 0.036 0.000 1.073 7 I HN 0.552 nan 8.210 nan 0.000 0.424 8 c N 0.239 118.871 118.600 0.053 0.000 2.413 8 c HA -0.179 4.393 4.570 0.004 0.000 0.276 8 c C 2.897 177.022 174.090 0.057 0.000 1.236 8 c CA 1.483 57.848 56.329 0.061 0.000 1.735 8 c CB -1.304 41.240 42.510 0.057 0.000 2.031 8 c HN 0.511 nan 8.230 nan 0.000 0.474 9 T N -0.275 114.307 114.554 0.047 0.000 2.770 9 T HA 0.328 4.680 4.350 0.004 0.000 0.258 9 T C 0.544 175.267 174.700 0.038 0.000 1.039 9 T CA 1.570 63.694 62.100 0.041 0.000 1.143 9 T CB -0.134 68.755 68.868 0.035 0.000 0.866 9 T HN 0.715 nan 8.240 nan 0.000 0.428 10 A N 0.174 123.017 122.820 0.039 0.000 2.590 10 A HA 0.553 4.875 4.320 0.004 0.000 0.294 10 A C -1.496 176.108 177.584 0.033 0.000 1.046 10 A CA -1.001 51.054 52.037 0.031 0.000 0.684 10 A CB 0.940 19.952 19.000 0.020 0.000 1.279 10 A HN 0.159 nan 8.150 nan 0.000 0.415 11 K N 1.046 121.458 120.400 0.020 0.000 2.202 11 K HA 0.480 4.803 4.320 0.004 0.000 0.264 11 K C -2.275 174.331 176.600 0.011 0.000 1.010 11 K CA -1.171 55.128 56.287 0.021 0.000 0.940 11 K CB 0.197 32.677 32.500 -0.033 0.000 0.983 11 K HN 0.472 nan 8.250 nan 0.000 0.475 12 P HA 0.122 nan 4.420 nan 0.000 0.271 12 P C -0.005 177.294 177.300 -0.001 0.000 1.244 12 P CA -0.276 62.831 63.100 0.011 0.000 0.793 12 P CB 0.636 32.344 31.700 0.015 0.000 0.984 13 R N 0.111 120.610 120.500 -0.001 0.000 2.225 13 R HA 0.071 4.413 4.340 0.004 0.000 0.194 13 R C 0.475 176.771 176.300 -0.006 0.000 0.957 13 R CA 0.740 56.835 56.100 -0.007 0.000 1.042 13 R CB 0.111 30.408 30.300 -0.005 0.000 1.004 13 R HN 0.435 nan 8.270 nan 0.000 0.509 14 D N 0.222 120.622 120.400 -0.001 0.000 2.597 14 D HA 0.127 4.769 4.640 0.004 0.000 0.261 14 D C 0.481 176.782 176.300 0.002 0.000 1.023 14 D CA 0.154 54.154 54.000 -0.000 0.000 0.927 14 D CB 0.461 41.262 40.800 0.001 0.000 1.168 14 D HN -0.014 nan 8.370 nan 0.000 0.491 15 I N 5.042 125.615 120.570 0.004 0.000 2.769 15 I HA 0.001 4.173 4.170 0.004 0.000 0.285 15 I C -1.930 174.193 176.117 0.010 0.000 1.173 15 I CA -0.935 60.368 61.300 0.005 0.000 1.389 15 I CB -0.019 37.983 38.000 0.003 0.000 1.404 15 I HN -0.175 nan 8.210 nan 0.000 0.544 16 P HA 0.037 nan 4.420 nan 0.000 0.267 16 P C -0.565 176.751 177.300 0.028 0.000 1.205 16 P CA 0.114 63.224 63.100 0.016 0.000 0.765 16 P CB 0.783 32.492 31.700 0.015 0.000 0.828 17 M N 2.659 122.287 119.600 0.048 0.000 3.124 17 M HA 0.218 4.701 4.480 0.004 0.000 0.298 17 M C -0.370 176.001 176.300 0.118 0.000 1.403 17 M CA -0.058 55.297 55.300 0.092 0.000 0.651 17 M CB 0.417 33.128 32.600 0.184 0.000 1.412 17 M HN 0.190 nan 8.290 nan 0.000 0.477 18 N N 2.063 120.803 118.700 0.067 0.000 2.448 18 N HA 0.494 5.236 4.740 0.004 0.000 0.279 18 N C -2.669 172.872 175.510 0.052 0.000 1.025 18 N CA -1.050 52.041 53.050 0.069 0.000 0.898 18 N CB 2.242 40.758 38.487 0.048 0.000 1.303 18 N HN 0.087 nan 8.380 nan 0.000 0.495 19 P HA 0.076 nan 4.420 nan 0.000 0.270 19 P C 1.174 178.508 177.300 0.057 0.000 1.227 19 P CA -0.158 62.967 63.100 0.043 0.000 0.788 19 P CB 1.030 32.759 31.700 0.049 0.000 0.926 20 M N 0.348 119.982 119.600 0.057 0.000 2.229 20 M HA -0.058 4.424 4.480 0.004 0.000 0.264 20 M C -0.345 175.987 176.300 0.053 0.000 1.063 20 M CA 1.721 57.050 55.300 0.048 0.000 1.114 20 M CB 0.071 32.693 32.600 0.036 0.000 1.387 20 M HN 0.265 nan 8.290 nan 0.000 0.420 21 c N -0.244 118.397 118.600 0.068 0.000 2.848 21 c HA 0.701 5.273 4.570 0.004 0.000 0.317 21 c C -0.291 173.864 174.090 0.107 0.000 1.260 21 c CA -1.308 55.070 56.329 0.081 0.000 1.656 21 c CB 1.705 44.263 42.510 0.081 0.000 2.174 21 c HN 0.327 nan 8.230 nan 0.000 0.479 22 I N 0.846 121.488 120.570 0.119 0.000 2.656 22 I HA 0.321 4.493 4.170 0.004 0.000 0.292 22 I C -1.646 174.583 176.117 0.187 0.000 1.144 22 I CA -0.449 60.935 61.300 0.141 0.000 1.038 22 I CB 1.979 40.036 38.000 0.095 0.000 1.244 22 I HN 0.697 nan 8.210 nan 0.000 0.420 23 Y N 5.305 125.650 120.300 0.075 0.000 2.328 23 Y HA 0.482 5.037 4.550 0.008 0.000 0.336 23 Y C -0.380 175.564 175.900 0.073 0.000 0.960 23 Y CA -0.794 57.349 58.100 0.073 0.000 1.134 23 Y CB 1.252 39.763 38.460 0.085 0.000 1.166 23 Y HN 0.435 nan 8.280 nan 0.000 0.464 24 R N 4.294 124.516 120.500 -0.462 0.000 2.210 24 R HA 0.420 4.762 4.340 0.004 0.000 0.338 24 R C -0.361 175.543 176.300 -0.660 0.000 1.062 24 R CA -0.010 55.863 56.100 -0.378 0.000 0.902 24 R CB 0.254 30.433 30.300 -0.203 0.000 1.050 24 R HN 0.865 nan 8.270 nan 0.000 0.461 25 S N 5.419 120.890 115.700 -0.383 0.000 2.565 25 S HA 0.426 4.898 4.470 0.004 0.000 0.276 25 S C -1.960 172.586 174.600 -0.090 0.000 1.326 25 S CA -1.190 56.887 58.200 -0.204 0.000 1.045 25 S CB 0.814 64.061 63.200 0.078 0.000 0.918 25 S HN 0.623 nan 8.310 nan 0.000 0.505 26 P HA 0.453 nan 4.420 nan 0.000 0.280 26 P C 0.246 177.560 177.300 0.024 0.000 1.278 26 P CA 0.991 64.094 63.100 0.005 0.000 0.787 26 P CB -0.067 31.657 31.700 0.040 0.000 1.163 44 T N -0.308 114.171 114.554 -0.124 0.000 2.548 44 T HA 0.670 5.022 4.350 0.004 0.000 0.214 44 T C 0.021 174.689 174.700 -0.053 0.000 0.873 44 T CA 0.058 62.128 62.100 -0.051 0.000 1.180 44 T CB 0.255 69.132 68.868 0.014 0.000 1.960 44 T HN 0.300 nan 8.240 nan 0.000 0.505 45 N N 0.239 118.935 118.700 -0.006 0.000 2.422 45 N HA 0.482 5.225 4.740 0.004 0.000 0.266 45 N C 1.321 176.832 175.510 0.001 0.000 1.007 45 N CA 0.547 53.592 53.050 -0.009 0.000 0.941 45 N CB 1.248 39.742 38.487 0.012 0.000 1.115 45 N HN 0.683 nan 8.380 nan 0.000 0.492 46 R N 2.467 122.944 120.500 -0.038 0.000 2.133 46 R HA -0.229 4.113 4.340 0.004 0.000 0.247 46 R C 2.315 178.605 176.300 -0.016 0.000 1.151 46 R CA 2.656 58.752 56.100 -0.007 0.000 0.971 46 R CB -1.921 28.353 30.300 -0.044 0.000 0.866 46 R HN 0.735 nan 8.270 nan 0.000 0.447 47 R N -0.007 120.374 120.500 -0.198 0.000 2.064 47 R HA 0.094 4.436 4.340 0.004 0.000 0.228 47 R C 2.747 178.811 176.300 -0.394 0.000 1.144 47 R CA 1.660 57.401 56.100 -0.597 0.000 0.932 47 R CB -1.457 28.289 30.300 -0.923 0.000 0.833 47 R HN 0.428 nan 8.270 nan 0.000 0.429 48 V N -0.991 118.826 119.914 -0.161 0.000 2.453 48 V HA -0.273 3.850 4.120 0.004 0.000 0.252 48 V C 2.168 178.265 176.094 0.005 0.000 1.068 48 V CA 1.869 64.144 62.300 -0.041 0.000 1.070 48 V CB -0.667 31.174 31.823 0.029 0.000 0.664 48 V HN 0.780 nan 8.190 nan 0.000 0.461 49 W N 1.090 122.310 121.300 -0.134 0.000 2.378 49 W HA -0.129 4.532 4.660 0.002 0.000 0.313 49 W C 2.419 178.880 176.519 -0.097 0.000 1.197 49 W CA 1.762 59.049 57.345 -0.098 0.000 1.304 49 W CB -0.176 29.233 29.460 -0.085 0.000 1.148 49 W HN 0.235 nan 8.180 nan 0.000 0.494 50 E N -0.122 120.034 120.200 -0.073 0.000 2.204 50 E HA -0.238 4.114 4.350 0.004 0.000 0.195 50 E C 2.001 178.465 176.600 -0.226 0.000 0.990 50 E CA 1.283 57.534 56.400 -0.247 0.000 0.821 50 E CB -0.421 29.233 29.700 -0.076 0.000 0.750 50 E HN 0.247 nan 8.360 nan 0.000 0.477 51 L N 0.584 121.702 121.223 -0.174 0.000 2.072 51 L HA -0.128 4.214 4.340 0.004 0.000 0.205 51 L C 2.337 179.105 176.870 -0.170 0.000 1.079 51 L CA 1.885 56.652 54.840 -0.122 0.000 0.752 51 L CB -0.499 41.477 42.059 -0.140 0.000 0.906 51 L HN 0.054 nan 8.230 nan 0.000 0.436 52 S N -0.314 115.258 115.700 -0.214 0.000 2.382 52 S HA -0.203 4.269 4.470 0.004 0.000 0.228 52 S C 2.264 176.727 174.600 -0.228 0.000 1.027 52 S CA 1.503 59.585 58.200 -0.196 0.000 0.991 52 S CB -0.872 62.224 63.200 -0.173 0.000 0.823 52 S HN 0.499 nan 8.310 nan 0.000 0.469 53 K N 1.464 121.638 120.400 -0.377 0.000 2.057 53 K HA 0.301 4.623 4.320 0.004 0.000 0.207 53 K C 2.502 178.982 176.600 -0.199 0.000 1.049 53 K CA 1.656 57.714 56.287 -0.381 0.000 0.931 53 K CB -1.658 30.476 32.500 -0.611 0.000 0.714 53 K HN 0.771 nan 8.250 nan 0.000 0.440 54 A N 1.726 124.462 122.820 -0.140 0.000 1.898 54 A HA -0.171 4.151 4.320 0.004 0.000 0.216 54 A C 2.218 179.789 177.584 -0.022 0.000 1.181 54 A CA 1.601 53.606 52.037 -0.053 0.000 0.620 54 A CB -0.384 18.633 19.000 0.028 0.000 0.819 54 A HN 0.598 nan 8.150 nan 0.000 0.442 55 N N 0.563 119.253 118.700 -0.016 0.000 2.069 55 N HA -0.108 4.634 4.740 0.004 0.000 0.191 55 N C 1.918 177.484 175.510 0.092 0.000 1.031 55 N CA 1.696 54.779 53.050 0.055 0.000 0.852 55 N CB -0.593 37.911 38.487 0.027 0.000 1.018 55 N HN 0.409 nan 8.380 nan 0.000 0.423 56 S N 0.592 116.300 115.700 0.014 0.000 2.419 56 S HA -0.120 4.352 4.470 0.004 0.000 0.235 56 S C 1.880 176.491 174.600 0.018 0.000 1.019 56 S CA 0.784 58.994 58.200 0.016 0.000 0.982 56 S CB -0.000 63.174 63.200 -0.043 0.000 0.789 56 S HN 0.374 nan 8.310 nan 0.000 0.490 57 R N 0.008 120.511 120.500 0.004 0.000 2.115 57 R HA 0.004 4.346 4.340 0.004 0.000 0.226 57 R C 1.970 178.292 176.300 0.037 0.000 1.100 57 R CA 0.971 57.070 56.100 -0.001 0.000 0.980 57 R CB -0.292 29.995 30.300 -0.023 0.000 0.875 57 R HN 0.433 nan 8.270 nan 0.000 0.445 58 F N 0.769 120.686 119.950 -0.055 0.000 2.234 58 F HA 0.142 4.671 4.527 0.003 0.000 0.296 58 F C 1.916 177.744 175.800 0.048 0.000 1.089 58 F CA 0.925 58.891 58.000 -0.056 0.000 1.343 58 F CB -0.480 38.463 39.000 -0.096 0.000 1.040 58 F HN 0.075 nan 8.300 nan 0.000 0.498 59 A N 0.492 123.300 122.820 -0.020 0.000 1.841 59 A HA -0.264 4.059 4.320 0.004 0.000 0.216 59 A C 2.344 179.915 177.584 -0.021 0.000 1.199 59 A CA 3.208 55.228 52.037 -0.028 0.000 0.621 59 A CB -1.743 17.314 19.000 0.096 0.000 0.835 59 A HN 0.537 nan 8.150 nan 0.000 0.445 60 T N -3.004 111.563 114.554 0.021 0.000 2.684 60 T HA -0.178 4.174 4.350 0.004 0.000 0.267 60 T C 1.818 176.533 174.700 0.025 0.000 1.036 60 T CA 2.313 64.446 62.100 0.055 0.000 1.148 60 T CB -1.297 67.593 68.868 0.036 0.000 0.863 60 T HN 0.350 nan 8.240 nan 0.000 0.436 61 T N 1.245 115.767 114.554 -0.054 0.000 2.684 61 T HA -0.002 4.350 4.350 0.004 0.000 0.267 61 T C 1.371 175.999 174.700 -0.119 0.000 1.036 61 T CA 1.435 63.488 62.100 -0.078 0.000 1.148 61 T CB -0.636 68.179 68.868 -0.088 0.000 0.863 61 T HN 0.397 nan 8.240 nan 0.000 0.436 62 F N 0.711 120.387 119.950 -0.456 0.000 2.146 62 F HA -0.037 4.492 4.527 0.003 0.000 0.298 62 F C 2.132 177.779 175.800 -0.255 0.000 1.096 62 F CA 0.607 58.302 58.000 -0.508 0.000 1.275 62 F CB -0.642 37.752 39.000 -1.010 0.000 1.008 62 F HN 0.182 nan 8.300 nan 0.000 0.480 63 Y N 1.347 121.506 120.300 -0.235 0.000 2.081 63 Y HA -0.329 4.223 4.550 0.003 0.000 0.280 63 Y C 2.500 178.247 175.900 -0.254 0.000 1.163 63 Y CA 2.424 60.384 58.100 -0.234 0.000 1.135 63 Y CB -0.808 37.582 38.460 -0.118 0.000 0.970 63 Y HN 0.216 nan 8.280 nan 0.000 0.498 64 Q N -1.158 118.573 119.800 -0.116 0.000 2.077 64 Q HA -0.307 4.036 4.340 0.004 0.000 0.206 64 Q C 2.294 178.110 176.000 -0.306 0.000 0.989 64 Q CA 1.762 57.467 55.803 -0.163 0.000 0.853 64 Q CB -0.625 28.096 28.738 -0.028 0.000 0.907 64 Q HN 0.639 nan 8.270 nan 0.000 0.418 65 H N 0.508 119.342 119.070 -0.394 0.000 2.423 65 H HA -0.099 4.459 4.556 0.004 0.000 0.297 65 H C 2.023 177.027 175.328 -0.540 0.000 1.075 65 H CA 1.032 56.834 56.048 -0.411 0.000 1.342 65 H CB 0.149 29.674 29.762 -0.396 0.000 1.395 65 H HN 0.168 nan 8.280 nan 0.000 0.530 66 L N 1.150 121.974 121.223 -0.666 0.000 2.005 66 L HA -0.030 4.312 4.340 0.004 0.000 0.207 66 L C 2.828 179.316 176.870 -0.636 0.000 1.072 66 L CA 1.984 56.369 54.840 -0.759 0.000 0.744 66 L CB -1.189 40.297 42.059 -0.955 0.000 0.895 66 L HN 0.296 nan 8.230 nan 0.000 0.433 67 A N -1.186 121.204 122.820 -0.716 0.000 2.019 67 A HA -0.272 4.050 4.320 0.004 0.000 0.219 67 A C 2.016 179.373 177.584 -0.379 0.000 1.164 67 A CA 1.850 53.550 52.037 -0.561 0.000 0.644 67 A CB -0.859 17.748 19.000 -0.655 0.000 0.805 67 A HN 0.576 nan 8.150 nan 0.000 0.449 68 D N 0.122 120.278 120.400 -0.408 0.000 2.097 68 D HA -0.138 4.504 4.640 0.004 0.000 0.197 68 D C 2.130 178.241 176.300 -0.316 0.000 0.984 68 D CA 1.859 55.658 54.000 -0.335 0.000 0.826 68 D CB -0.075 40.493 40.800 -0.386 0.000 0.973 68 D HN 0.463 nan 8.370 nan 0.000 0.460 69 S N -1.275 114.189 115.700 -0.393 0.000 2.607 69 S HA 0.076 4.548 4.470 0.004 0.000 0.224 69 S C 0.628 175.100 174.600 -0.215 0.000 0.969 69 S CA -0.152 57.870 58.200 -0.298 0.000 0.927 69 S CB -0.100 62.905 63.200 -0.325 0.000 0.772 69 S HN 0.088 nan 8.310 nan 0.000 0.533 70 K N 0.965 121.235 120.400 -0.216 0.000 2.258 70 K HA 0.379 4.701 4.320 0.004 0.000 0.236 70 K C -0.987 175.542 176.600 -0.119 0.000 1.008 70 K CA -0.930 55.265 56.287 -0.153 0.000 0.869 70 K CB 0.560 32.963 32.500 -0.161 0.000 1.171 70 K HN 0.104 nan 8.250 nan 0.000 0.447 71 N N 1.056 119.707 118.700 -0.081 0.000 2.444 71 N HA 0.012 4.754 4.740 0.004 0.000 0.271 71 N C -0.046 175.433 175.510 -0.053 0.000 1.069 71 N CA 0.021 53.035 53.050 -0.060 0.000 0.965 71 N CB 0.798 39.261 38.487 -0.040 0.000 1.092 71 N HN 0.393 nan 8.380 nan 0.000 0.476 72 D N 2.152 122.524 120.400 -0.047 0.000 2.357 72 D HA -0.154 4.488 4.640 0.004 0.000 0.216 72 D C 0.425 176.718 176.300 -0.013 0.000 0.973 72 D CA 1.102 55.082 54.000 -0.032 0.000 0.912 72 D CB 0.001 40.786 40.800 -0.025 0.000 0.900 72 D HN 0.596 nan 8.370 nan 0.000 0.501 73 N N 0.145 118.839 118.700 -0.011 0.000 2.353 73 N HA -0.027 4.715 4.740 0.004 0.000 0.185 73 N C -0.435 175.070 175.510 -0.009 0.000 1.098 73 N CA 0.235 53.287 53.050 0.004 0.000 0.872 73 N CB 0.538 39.030 38.487 0.008 0.000 0.970 73 N HN 0.058 nan 8.380 nan 0.000 0.467 74 D N 0.101 120.489 120.400 -0.021 0.000 2.225 74 D HA 0.141 4.783 4.640 0.004 0.000 0.249 74 D C -0.113 176.173 176.300 -0.024 0.000 1.052 74 D CA -0.207 53.780 54.000 -0.021 0.000 0.909 74 D CB 0.688 41.477 40.800 -0.019 0.000 1.186 74 D HN 0.037 nan 8.370 nan 0.000 0.431 75 N N 0.604 119.293 118.700 -0.019 0.000 2.424 75 N HA 0.394 5.136 4.740 0.004 0.000 0.257 75 N C -0.172 175.372 175.510 0.056 0.000 1.250 75 N CA 0.018 53.062 53.050 -0.010 0.000 0.946 75 N CB 1.060 39.539 38.487 -0.014 0.000 1.175 75 N HN 0.350 nan 8.380 nan 0.000 0.477 76 I N 0.660 121.301 120.570 0.119 0.000 2.644 76 I HA 0.375 4.547 4.170 0.004 0.000 0.291 76 I C -1.470 174.870 176.117 0.371 0.000 1.180 76 I CA -0.639 60.781 61.300 0.199 0.000 1.040 76 I CB 1.935 40.014 38.000 0.132 0.000 1.255 76 I HN 0.275 nan 8.210 nan 0.000 0.422 77 F N 7.588 127.666 119.950 0.213 0.000 2.622 77 F HA 0.739 5.268 4.527 0.004 0.000 0.318 77 F C -1.623 174.368 175.800 0.318 0.000 1.135 77 F CA -0.594 57.544 58.000 0.230 0.000 1.015 77 F CB 1.584 40.683 39.000 0.165 0.000 1.275 77 F HN 0.336 nan 8.300 nan 0.000 0.457 78 L N 1.813 122.850 121.223 -0.310 0.000 2.765 78 L HA 0.819 5.161 4.340 0.004 0.000 0.263 78 L C -1.505 175.275 176.870 -0.149 0.000 1.068 78 L CA -0.943 53.869 54.840 -0.047 0.000 0.903 78 L CB 1.909 44.178 42.059 0.351 0.000 1.512 78 L HN 0.467 nan 8.230 nan 0.000 0.404 79 S N 0.883 116.585 115.700 0.004 0.000 2.532 79 S HA 0.521 4.993 4.470 0.004 0.000 0.256 79 S C -1.784 172.821 174.600 0.007 0.000 1.298 79 S CA -1.305 56.816 58.200 -0.132 0.000 1.166 79 S CB 0.858 63.912 63.200 -0.243 0.000 1.022 79 S HN 0.653 nan 8.310 nan 0.000 0.480 80 P HA -0.116 nan 4.420 nan 0.000 0.218 80 P C 1.611 179.033 177.300 0.204 0.000 1.149 80 P CA 0.487 63.713 63.100 0.210 0.000 0.817 80 P CB 0.133 31.956 31.700 0.206 0.000 0.785 81 L N 0.520 121.798 121.223 0.092 0.000 2.012 81 L HA -0.133 4.209 4.340 0.004 0.000 0.210 81 L C 2.773 179.733 176.870 0.150 0.000 1.073 81 L CA 2.190 57.110 54.840 0.134 0.000 0.748 81 L CB -1.626 40.468 42.059 0.059 0.000 0.891 81 L HN -0.042 nan 8.230 nan 0.000 0.431 82 S N -0.548 115.190 115.700 0.064 0.000 2.365 82 S HA -0.221 4.251 4.470 0.004 0.000 0.225 82 S C 2.043 176.695 174.600 0.087 0.000 1.039 82 S CA 1.923 60.162 58.200 0.065 0.000 1.033 82 S CB -0.488 62.736 63.200 0.041 0.000 0.887 82 S HN 0.494 nan 8.310 nan 0.000 0.447 83 I N 0.898 121.547 120.570 0.131 0.000 2.142 83 I HA -0.144 4.028 4.170 0.004 0.000 0.240 83 I C 2.710 178.863 176.117 0.059 0.000 1.078 83 I CA 1.333 62.734 61.300 0.168 0.000 1.343 83 I CB -0.794 37.331 38.000 0.209 0.000 1.046 83 I HN 0.284 nan 8.210 nan 0.000 0.405 84 S N 0.335 116.056 115.700 0.035 0.000 2.387 84 S HA -0.196 4.276 4.470 0.004 0.000 0.230 84 S C 2.049 176.683 174.600 0.057 0.000 1.035 84 S CA 2.098 60.272 58.200 -0.044 0.000 1.014 84 S CB -0.391 62.945 63.200 0.227 0.000 0.836 84 S HN 0.495 nan 8.310 nan 0.000 0.466 85 T N 2.130 116.709 114.554 0.042 0.000 2.701 85 T HA -0.008 4.344 4.350 0.004 0.000 0.263 85 T C 2.183 176.649 174.700 -0.389 0.000 1.040 85 T CA 1.205 63.120 62.100 -0.308 0.000 1.147 85 T CB -0.587 68.174 68.868 -0.178 0.000 0.865 85 T HN 0.460 nan 8.240 nan 0.000 0.426 86 A N 1.067 123.756 122.820 -0.219 0.000 1.883 86 A HA -0.060 4.262 4.320 0.004 0.000 0.217 86 A C 1.969 179.313 177.584 -0.400 0.000 1.186 86 A CA 1.568 53.433 52.037 -0.287 0.000 0.624 86 A CB -1.076 17.816 19.000 -0.180 0.000 0.822 86 A HN 0.477 nan 8.150 nan 0.000 0.444 87 F N -0.094 119.607 119.950 -0.415 0.000 2.407 87 F HA 0.064 4.593 4.527 0.003 0.000 0.299 87 F C 2.651 178.219 175.800 -0.386 0.000 1.097 87 F CA 0.603 58.327 58.000 -0.460 0.000 1.422 87 F CB -0.339 38.156 39.000 -0.843 0.000 1.067 87 F HN 0.259 nan 8.300 nan 0.000 0.539 88 A N -0.130 122.544 122.820 -0.243 0.000 1.930 88 A HA -0.165 4.157 4.320 0.004 0.000 0.217 88 A C 2.229 179.664 177.584 -0.248 0.000 1.175 88 A CA 1.368 53.289 52.037 -0.193 0.000 0.627 88 A CB -0.627 18.205 19.000 -0.280 0.000 0.815 88 A HN 0.316 nan 8.150 nan 0.000 0.443 89 M N -0.799 118.456 119.600 -0.575 0.000 2.175 89 M HA -0.109 4.373 4.480 0.004 0.000 0.264 89 M C 2.052 178.207 176.300 -0.241 0.000 1.063 89 M CA 1.856 56.777 55.300 -0.632 0.000 1.119 89 M CB -0.712 31.440 32.600 -0.747 0.000 1.377 89 M HN 0.383 nan 8.290 nan 0.000 0.415 90 T N 0.160 114.579 114.554 -0.225 0.000 2.904 90 T HA -0.105 4.247 4.350 0.004 0.000 0.267 90 T C 1.749 176.444 174.700 -0.009 0.000 1.059 90 T CA 0.984 63.004 62.100 -0.133 0.000 1.137 90 T CB -0.140 68.567 68.868 -0.269 0.000 0.879 90 T HN 0.358 nan 8.240 nan 0.000 0.467 91 K N 1.013 121.433 120.400 0.033 0.000 2.147 91 K HA 0.027 4.349 4.320 0.004 0.000 0.205 91 K C 2.132 178.826 176.600 0.157 0.000 1.049 91 K CA 0.765 57.126 56.287 0.123 0.000 0.936 91 K CB -0.343 32.251 32.500 0.157 0.000 0.722 91 K HN 0.289 nan 8.250 nan 0.000 0.446 92 L N -0.194 121.121 121.223 0.154 0.000 2.197 92 L HA -0.193 4.149 4.340 0.004 0.000 0.215 92 L C 1.908 178.861 176.870 0.138 0.000 1.095 92 L CA 1.534 56.416 54.840 0.071 0.000 0.764 92 L CB -0.255 41.803 42.059 -0.002 0.000 0.897 92 L HN 0.425 nan 8.230 nan 0.000 0.436 93 G N -1.851 107.017 108.800 0.114 0.000 3.324 93 G HA2 0.401 4.363 3.960 0.004 0.000 0.251 93 G HA3 0.401 4.363 3.960 0.004 0.000 0.251 93 G C 0.470 175.369 174.900 -0.002 0.000 1.072 93 G CA 0.386 45.485 45.100 -0.002 0.000 0.787 93 G HN 0.333 nan 8.290 nan 0.000 0.537 94 A N -0.692 122.153 122.820 0.041 0.000 2.327 94 A HA 0.659 4.981 4.320 0.004 0.000 0.255 94 A C -0.146 177.468 177.584 0.050 0.000 1.099 94 A CA -0.091 51.972 52.037 0.044 0.000 0.801 94 A CB 0.661 19.703 19.000 0.069 0.000 1.062 94 A HN 0.640 nan 8.150 nan 0.000 0.496 95 c N -0.291 118.335 118.600 0.043 0.000 3.321 95 c HA 0.561 5.133 4.570 0.004 0.000 0.329 95 c C 0.641 174.755 174.090 0.041 0.000 1.394 95 c CA 0.079 56.437 56.329 0.048 0.000 1.291 95 c CB -0.003 42.528 42.510 0.035 0.000 1.606 95 c HN 1.264 nan 8.230 nan 0.000 0.463 96 N N 1.386 120.117 118.700 0.052 0.000 1.127 96 N HA -0.248 4.494 4.740 0.004 0.000 0.124 96 N C 0.335 175.857 175.510 0.020 0.000 0.690 96 N CA 2.003 55.081 53.050 0.047 0.000 0.874 96 N CB -0.603 37.906 38.487 0.036 0.000 1.192 96 N HN 0.854 nan 8.380 nan 0.000 0.573 97 D N -0.623 119.783 120.400 0.010 0.000 2.144 97 D HA -0.057 4.585 4.640 0.004 0.000 0.199 97 D C 1.750 178.036 176.300 -0.023 0.000 0.984 97 D CA 1.799 55.791 54.000 -0.014 0.000 0.834 97 D CB -0.738 40.061 40.800 -0.001 0.000 0.955 97 D HN 0.479 nan 8.370 nan 0.000 0.465 98 T N 1.336 115.892 114.554 0.003 0.000 2.720 98 T HA -0.169 4.183 4.350 0.004 0.000 0.268 98 T C 1.909 176.621 174.700 0.020 0.000 1.037 98 T CA 0.666 62.777 62.100 0.019 0.000 1.144 98 T CB -0.293 68.594 68.868 0.031 0.000 0.864 98 T HN 0.055 nan 8.240 nan 0.000 0.444 99 L N 0.929 122.157 121.223 0.009 0.000 2.056 99 L HA 0.005 4.347 4.340 0.004 0.000 0.207 99 L C 2.537 179.342 176.870 -0.109 0.000 1.078 99 L CA 1.752 56.599 54.840 0.012 0.000 0.749 99 L CB -0.748 41.342 42.059 0.053 0.000 0.901 99 L HN 0.219 nan 8.230 nan 0.000 0.433 100 Q N -0.971 118.668 119.800 -0.268 0.000 2.050 100 Q HA -0.255 4.087 4.340 0.004 0.000 0.202 100 Q C 2.168 177.986 176.000 -0.303 0.000 0.980 100 Q CA 2.070 57.506 55.803 -0.612 0.000 0.840 100 Q CB -0.083 28.309 28.738 -0.576 0.000 0.898 100 Q HN 0.682 nan 8.270 nan 0.000 0.424 101 Q N -0.136 119.582 119.800 -0.137 0.000 2.084 101 Q HA -0.189 4.154 4.340 0.004 0.000 0.202 101 Q C 2.157 178.156 176.000 -0.001 0.000 0.978 101 Q CA 1.080 56.847 55.803 -0.061 0.000 0.844 101 Q CB -0.072 28.651 28.738 -0.025 0.000 0.898 101 Q HN 0.264 nan 8.270 nan 0.000 0.426 102 L N 0.223 121.488 121.223 0.071 0.000 2.012 102 L HA -0.195 4.148 4.340 0.004 0.000 0.210 102 L C 2.270 179.299 176.870 0.266 0.000 1.073 102 L CA 1.677 56.655 54.840 0.230 0.000 0.748 102 L CB -0.627 41.581 42.059 0.248 0.000 0.891 102 L HN 0.323 nan 8.230 nan 0.000 0.431 103 M N -0.919 118.784 119.600 0.172 0.000 2.082 103 M HA -0.248 4.234 4.480 0.004 0.000 0.258 103 M C 2.186 178.576 176.300 0.151 0.000 1.069 103 M CA 1.723 57.170 55.300 0.244 0.000 1.102 103 M CB -1.094 31.593 32.600 0.144 0.000 1.336 103 M HN 0.345 nan 8.290 nan 0.000 0.404 104 E N -0.518 119.703 120.200 0.034 0.000 2.047 104 E HA -0.124 4.228 4.350 0.004 0.000 0.191 104 E C 2.089 178.644 176.600 -0.075 0.000 0.987 104 E CA 1.142 57.542 56.400 -0.001 0.000 0.799 104 E CB -0.158 29.528 29.700 -0.025 0.000 0.752 104 E HN 0.222 nan 8.360 nan 0.000 0.449 105 V N 0.585 120.415 119.914 -0.139 0.000 2.469 105 V HA -0.228 3.894 4.120 0.004 0.000 0.251 105 V C 1.364 177.091 176.094 -0.612 0.000 1.064 105 V CA 1.597 63.687 62.300 -0.351 0.000 1.066 105 V CB -0.380 31.163 31.823 -0.468 0.000 0.667 105 V HN 0.217 nan 8.190 nan 0.000 0.461 106 F N -0.624 119.091 119.950 -0.392 0.000 2.639 106 F HA 0.330 4.858 4.527 0.003 0.000 0.300 106 F C 1.118 176.492 175.800 -0.710 0.000 1.109 106 F CA -0.470 57.065 58.000 -0.775 0.000 1.335 106 F CB -0.108 38.143 39.000 -1.248 0.000 1.014 106 F HN -0.042 nan 8.300 nan 0.000 0.537 107 K N -1.349 118.916 120.400 -0.226 0.000 3.088 107 K HA -0.244 4.078 4.320 0.004 0.000 0.273 107 K C 0.515 177.105 176.600 -0.016 0.000 1.111 107 K CA 0.475 56.705 56.287 -0.096 0.000 0.803 107 K CB -2.446 30.021 32.500 -0.055 0.000 1.226 107 K HN 0.259 nan 8.250 nan 0.000 0.485 108 F N 0.609 120.624 119.950 0.109 0.000 2.456 108 F HA -0.023 4.505 4.527 0.002 0.000 0.298 108 F C 1.996 177.868 175.800 0.120 0.000 1.104 108 F CA 1.114 59.176 58.000 0.103 0.000 1.435 108 F CB -0.140 38.928 39.000 0.112 0.000 1.078 108 F HN 0.252 nan 8.300 nan 0.000 0.546 109 D N -0.800 119.778 120.400 0.297 0.000 2.340 109 D HA -0.071 4.571 4.640 0.004 0.000 0.220 109 D C 1.352 177.753 176.300 0.169 0.000 1.039 109 D CA 0.914 55.070 54.000 0.260 0.000 0.866 109 D CB -1.210 39.772 40.800 0.304 0.000 0.913 109 D HN 0.307 nan 8.370 nan 0.000 0.523 110 T N -1.682 112.950 114.554 0.130 0.000 3.219 110 T HA 0.216 4.568 4.350 0.004 0.000 0.249 110 T C 1.008 175.750 174.700 0.071 0.000 1.099 110 T CA -0.433 61.713 62.100 0.077 0.000 0.988 110 T CB -0.625 68.264 68.868 0.035 0.000 0.999 110 T HN 0.129 nan 8.240 nan 0.000 0.550 111 I N 2.608 123.242 120.570 0.108 0.000 2.257 111 I HA 0.322 4.494 4.170 0.004 0.000 0.290 111 I C 1.078 177.252 176.117 0.095 0.000 1.137 111 I CA -0.528 60.830 61.300 0.097 0.000 1.255 111 I CB -0.383 37.703 38.000 0.142 0.000 1.485 111 I HN 0.336 nan 8.210 nan 0.000 0.534 112 S N 5.397 121.139 115.700 0.070 0.000 3.746 112 S HA 0.174 4.646 4.470 0.004 0.000 0.446 112 S C 1.066 175.702 174.600 0.060 0.000 1.133 112 S CA 1.029 59.264 58.200 0.059 0.000 1.060 112 S CB -0.471 62.758 63.200 0.049 0.000 0.729 112 S HN 0.944 nan 8.310 nan 0.000 0.510 113 E N -0.087 120.142 120.200 0.048 0.000 5.940 113 E HA 0.294 4.646 4.350 0.004 0.000 0.304 113 E C -0.087 176.552 176.600 0.065 0.000 1.429 113 E CA 0.916 57.338 56.400 0.037 0.000 1.225 113 E CB -2.066 27.652 29.700 0.030 0.000 0.904 113 E HN 1.939 nan 8.360 nan 0.000 0.317 114 K N 0.575 121.010 120.400 0.059 0.000 2.738 114 K HA 0.607 4.929 4.320 0.004 0.000 0.278 114 K C 0.021 176.660 176.600 0.066 0.000 1.069 114 K CA -0.270 56.076 56.287 0.098 0.000 0.942 114 K CB 1.330 33.944 32.500 0.188 0.000 1.381 114 K HN 1.789 nan 8.250 nan 0.000 0.399 115 T N -0.797 113.788 114.554 0.053 0.000 2.913 115 T HA 0.184 4.536 4.350 0.004 0.000 0.297 115 T C 1.539 176.292 174.700 0.088 0.000 1.029 115 T CA 0.239 62.368 62.100 0.047 0.000 1.104 115 T CB 1.257 70.148 68.868 0.038 0.000 0.964 115 T HN 0.841 nan 8.240 nan 0.000 0.532 116 S N 0.876 116.658 115.700 0.137 0.000 2.440 116 S HA -0.197 4.275 4.470 0.004 0.000 0.238 116 S C 1.524 176.199 174.600 0.125 0.000 1.010 116 S CA 1.107 59.401 58.200 0.156 0.000 0.972 116 S CB -0.663 62.685 63.200 0.247 0.000 0.774 116 S HN 0.920 nan 8.310 nan 0.000 0.501 117 D N 0.942 121.443 120.400 0.168 0.000 2.269 117 D HA -0.162 4.480 4.640 0.004 0.000 0.208 117 D C 1.751 178.216 176.300 0.275 0.000 0.963 117 D CA 0.632 54.798 54.000 0.277 0.000 0.864 117 D CB -0.408 40.530 40.800 0.230 0.000 0.936 117 D HN 0.532 nan 8.370 nan 0.000 0.505 118 Q N -0.110 119.724 119.800 0.057 0.000 2.297 118 Q HA -0.017 4.325 4.340 0.004 0.000 0.204 118 Q C 2.307 177.998 176.000 -0.515 0.000 0.962 118 Q CA 0.253 55.931 55.803 -0.209 0.000 0.879 118 Q CB 0.210 28.739 28.738 -0.349 0.000 0.947 118 Q HN 0.338 nan 8.270 nan 0.000 0.462 119 I N 0.635 121.035 120.570 -0.283 0.000 2.208 119 I HA -0.285 3.887 4.170 0.004 0.000 0.245 119 I C 2.104 178.025 176.117 -0.327 0.000 1.097 119 I CA 1.643 62.755 61.300 -0.312 0.000 1.363 119 I CB -1.244 36.456 38.000 -0.501 0.000 1.051 119 I HN 0.352 nan 8.210 nan 0.000 0.413 120 H N -0.022 118.915 119.070 -0.222 0.000 2.353 120 H HA -0.138 4.420 4.556 0.003 0.000 0.300 120 H C 2.377 177.405 175.328 -0.501 0.000 1.090 120 H CA 1.525 57.354 56.048 -0.365 0.000 1.327 120 H CB -0.496 28.925 29.762 -0.569 0.000 1.383 120 H HN 0.288 nan 8.280 nan 0.000 0.508 121 F N 0.071 119.938 119.950 -0.139 0.000 2.206 121 F HA -0.113 4.416 4.527 0.004 0.000 0.298 121 F C 2.303 178.097 175.800 -0.010 0.000 1.090 121 F CA 0.486 58.401 58.000 -0.141 0.000 1.323 121 F CB -0.540 38.331 39.000 -0.214 0.000 1.028 121 F HN -0.005 nan 8.300 nan 0.000 0.492 122 F N -1.117 118.922 119.950 0.148 0.000 2.186 122 F HA -0.141 4.387 4.527 0.002 0.000 0.299 122 F C 2.229 178.056 175.800 0.045 0.000 1.090 122 F CA 0.387 58.429 58.000 0.070 0.000 1.307 122 F CB -1.552 37.457 39.000 0.014 0.000 1.019 122 F HN -0.078 nan 8.300 nan 0.000 0.489 123 F N 0.575 120.574 119.950 0.081 0.000 2.234 123 F HA -0.047 4.482 4.527 0.003 0.000 0.299 123 F C 2.354 178.143 175.800 -0.018 0.000 1.087 123 F CA 0.716 58.729 58.000 0.022 0.000 1.340 123 F CB -0.819 38.165 39.000 -0.027 0.000 1.031 123 F HN -0.057 nan 8.300 nan 0.000 0.500 124 A N -0.593 122.302 122.820 0.125 0.000 1.929 124 A HA -0.132 4.190 4.320 0.004 0.000 0.216 124 A C 2.325 179.976 177.584 0.111 0.000 1.176 124 A CA 1.560 53.607 52.037 0.016 0.000 0.628 124 A CB -0.680 18.253 19.000 -0.111 0.000 0.816 124 A HN 0.192 nan 8.150 nan 0.000 0.444 125 K N -0.854 119.638 120.400 0.153 0.000 2.148 125 K HA -0.032 4.290 4.320 0.004 0.000 0.204 125 K C 2.023 178.690 176.600 0.111 0.000 1.050 125 K CA 1.203 57.575 56.287 0.141 0.000 0.942 125 K CB -0.906 31.701 32.500 0.180 0.000 0.724 125 K HN 0.564 nan 8.250 nan 0.000 0.446 126 L N 1.759 123.053 121.223 0.120 0.000 2.044 126 L HA 0.000 4.343 4.340 0.004 0.000 0.205 126 L C 1.643 178.544 176.870 0.052 0.000 1.075 126 L CA 1.855 56.733 54.840 0.064 0.000 0.747 126 L CB -0.700 41.368 42.059 0.016 0.000 0.903 126 L HN 0.186 nan 8.230 nan 0.000 0.435 127 N N -0.649 118.150 118.700 0.165 0.000 2.272 127 N HA -0.185 4.558 4.740 0.004 0.000 0.185 127 N C 1.855 177.446 175.510 0.135 0.000 1.014 127 N CA 1.639 54.799 53.050 0.184 0.000 0.870 127 N CB -0.735 37.993 38.487 0.402 0.000 0.975 127 N HN 0.466 nan 8.380 nan 0.000 0.433 128 c N 0.653 119.321 118.600 0.113 0.000 2.466 128 c HA 0.059 4.631 4.570 0.004 0.000 0.278 128 c C 2.606 176.728 174.090 0.053 0.000 1.288 128 c CA 0.138 56.527 56.329 0.100 0.000 1.722 128 c CB -0.722 41.839 42.510 0.085 0.000 2.017 128 c HN 0.475 nan 8.230 nan 0.000 0.488 129 R N 0.421 120.932 120.500 0.017 0.000 2.115 129 R HA 0.025 4.367 4.340 0.004 0.000 0.226 129 R C 2.085 178.348 176.300 -0.061 0.000 1.100 129 R CA 0.934 57.032 56.100 -0.003 0.000 0.980 129 R CB -0.301 30.001 30.300 0.005 0.000 0.875 129 R HN 0.520 nan 8.270 nan 0.000 0.445 130 L N -0.520 120.587 121.223 -0.192 0.000 2.023 130 L HA -0.137 4.206 4.340 0.004 0.000 0.205 130 L C 1.210 177.884 176.870 -0.327 0.000 1.073 130 L CA 1.246 55.852 54.840 -0.389 0.000 0.745 130 L CB -0.190 41.368 42.059 -0.835 0.000 0.900 130 L HN 0.183 nan 8.230 nan 0.000 0.435 131 Y N -0.066 120.286 120.300 0.087 0.000 2.537 131 Y HA 0.205 4.757 4.550 0.004 0.000 0.303 131 Y C 1.354 177.299 175.900 0.074 0.000 1.176 131 Y CA -0.336 57.816 58.100 0.086 0.000 1.273 131 Y CB -1.418 37.094 38.460 0.087 0.000 1.110 131 Y HN 0.063 nan 8.280 nan 0.000 0.518 138 S N 1.664 117.412 115.700 0.079 0.000 2.472 138 S HA 0.599 5.071 4.470 0.004 0.000 0.303 138 S C -0.536 174.080 174.600 0.027 0.000 1.099 138 S CA -0.519 57.694 58.200 0.023 0.000 1.077 138 S CB 1.735 64.987 63.200 0.085 0.000 1.031 138 S HN 0.607 nan 8.310 nan 0.000 0.487 139 K N 2.268 122.623 120.400 -0.075 0.000 2.412 139 K HA 0.303 4.625 4.320 0.004 0.000 0.284 139 K C -1.088 175.571 176.600 0.099 0.000 1.046 139 K CA -0.131 56.160 56.287 0.007 0.000 0.999 139 K CB 0.091 32.592 32.500 0.002 0.000 0.941 139 K HN 0.395 nan 8.250 nan 0.000 0.474 140 L N 6.817 128.181 121.223 0.234 0.000 2.573 140 L HA 0.330 4.673 4.340 0.004 0.000 0.260 140 L C -1.373 175.723 176.870 0.378 0.000 0.997 140 L CA -0.608 54.452 54.840 0.366 0.000 0.890 140 L CB 1.296 43.584 42.059 0.381 0.000 1.179 140 L HN 0.474 nan 8.230 nan 0.000 0.439 141 V N 0.932 121.018 119.914 0.286 0.000 3.103 141 V HA 1.010 5.132 4.120 0.004 0.000 0.318 141 V C -0.334 175.678 176.094 -0.138 0.000 1.114 141 V CA -0.423 61.937 62.300 0.101 0.000 1.020 141 V CB 1.843 33.712 31.823 0.076 0.000 1.085 141 V HN 0.768 nan 8.190 nan 0.000 0.446 142 S N 0.385 115.818 115.700 -0.445 0.000 2.535 142 S HA 0.857 5.329 4.470 0.004 0.000 0.272 142 S C -0.916 173.511 174.600 -0.289 0.000 1.149 142 S CA 0.114 58.017 58.200 -0.496 0.000 0.888 142 S CB 1.475 63.992 63.200 -1.139 0.000 1.110 142 S HN 2.297 nan 8.310 nan 0.000 0.463 143 A N 3.718 126.463 122.820 -0.126 0.000 2.427 143 A HA 0.810 5.132 4.320 0.004 0.000 0.298 143 A C -1.226 176.495 177.584 0.229 0.000 1.036 143 A CA -0.809 51.245 52.037 0.029 0.000 0.701 143 A CB 1.232 20.212 19.000 -0.033 0.000 1.250 143 A HN 0.738 nan 8.150 nan 0.000 0.412 144 N N 1.013 119.845 118.700 0.222 0.000 2.292 144 N HA 0.760 5.502 4.740 0.004 0.000 0.303 144 N C -0.626 174.888 175.510 0.006 0.000 1.140 144 N CA -0.489 52.649 53.050 0.147 0.000 0.788 144 N CB 2.360 40.851 38.487 0.007 0.000 1.361 144 N HN 0.811 nan 8.380 nan 0.000 0.489 145 R N 0.826 121.185 120.500 -0.235 0.000 2.634 145 R HA 0.455 4.797 4.340 0.004 0.000 0.263 145 R C -1.821 174.097 176.300 -0.636 0.000 1.060 145 R CA -0.550 55.167 56.100 -0.639 0.000 0.898 145 R CB 1.221 30.685 30.300 -1.392 0.000 1.253 145 R HN 0.455 nan 8.270 nan 0.000 0.461 146 L N 3.644 124.440 121.223 -0.712 0.000 2.329 146 L HA 0.581 4.924 4.340 0.004 0.000 0.279 146 L C -1.068 175.365 176.870 -0.728 0.000 1.014 146 L CA -0.759 53.768 54.840 -0.522 0.000 0.814 146 L CB 1.575 43.392 42.059 -0.402 0.000 1.257 146 L HN 0.558 nan 8.230 nan 0.000 0.424 147 F N 1.087 120.918 119.950 -0.198 0.000 2.434 147 F HA 0.515 5.044 4.527 0.004 0.000 0.367 147 F C 0.741 176.561 175.800 0.034 0.000 1.093 147 F CA -0.622 57.313 58.000 -0.108 0.000 1.085 147 F CB 1.619 40.624 39.000 0.008 0.000 1.322 147 F HN 0.392 nan 8.300 nan 0.000 0.452 148 G N 1.087 109.880 108.800 -0.011 0.000 2.410 148 G HA2 0.349 4.312 3.960 0.004 0.000 0.330 148 G HA3 0.349 4.312 3.960 0.004 0.000 0.330 148 G C -1.339 173.692 174.900 0.218 0.000 1.142 148 G CA -0.639 44.542 45.100 0.135 0.000 0.902 148 G HN 0.486 nan 8.290 nan 0.000 0.491 149 D N -0.121 120.520 120.400 0.402 0.000 2.425 149 D HA 0.047 4.689 4.640 0.004 0.000 0.247 149 D C 1.910 178.262 176.300 0.087 0.000 1.147 149 D CA -0.135 53.916 54.000 0.084 0.000 0.879 149 D CB 0.900 41.847 40.800 0.245 0.000 1.179 149 D HN 0.455 nan 8.370 nan 0.000 0.456 150 K N 1.353 121.729 120.400 -0.039 0.000 2.160 150 K HA -0.211 4.112 4.320 0.004 0.000 0.206 150 K C 1.617 178.213 176.600 -0.005 0.000 1.047 150 K CA 1.545 57.823 56.287 -0.015 0.000 0.930 150 K CB -0.341 32.127 32.500 -0.053 0.000 0.720 150 K HN 0.374 nan 8.250 nan 0.000 0.450 151 S N 0.304 115.995 115.700 -0.016 0.000 2.461 151 S HA 0.016 4.488 4.470 0.004 0.000 0.228 151 S C 0.806 175.365 174.600 -0.067 0.000 1.005 151 S CA -0.175 58.006 58.200 -0.031 0.000 0.942 151 S CB -0.231 62.955 63.200 -0.024 0.000 0.776 151 S HN 0.085 nan 8.310 nan 0.000 0.514 152 L N 1.816 122.975 121.223 -0.106 0.000 2.456 152 L HA 0.453 4.795 4.340 0.004 0.000 0.257 152 L C 0.378 177.069 176.870 -0.298 0.000 1.162 152 L CA 0.452 55.130 54.840 -0.271 0.000 0.808 152 L CB 0.763 42.519 42.059 -0.505 0.000 1.136 152 L HN 0.031 nan 8.230 nan 0.000 0.466 153 T N 2.046 116.386 114.554 -0.357 0.000 2.842 153 T HA 0.470 4.822 4.350 0.004 0.000 0.308 153 T C -0.482 174.034 174.700 -0.307 0.000 1.041 153 T CA -0.198 61.773 62.100 -0.215 0.000 0.964 153 T CB -0.150 68.648 68.868 -0.116 0.000 0.972 153 T HN 0.051 nan 8.240 nan 0.000 0.460 154 F N 2.939 122.892 119.950 0.004 0.000 2.389 154 F HA 0.305 4.834 4.527 0.003 0.000 0.337 154 F C 1.297 177.117 175.800 0.034 0.000 1.112 154 F CA -0.982 57.030 58.000 0.020 0.000 1.192 154 F CB 0.606 39.642 39.000 0.059 0.000 1.185 154 F HN 0.390 nan 8.300 nan 0.000 0.552 155 N N 2.596 121.429 118.700 0.222 0.000 2.411 155 N HA -0.080 4.662 4.740 0.004 0.000 0.261 155 N C 0.886 176.511 175.510 0.192 0.000 1.248 155 N CA 0.388 53.532 53.050 0.157 0.000 0.885 155 N CB 0.568 39.130 38.487 0.125 0.000 1.062 155 N HN 0.746 nan 8.380 nan 0.000 0.471 156 E N 1.976 122.244 120.200 0.113 0.000 2.051 156 E HA -0.159 4.193 4.350 0.004 0.000 0.192 156 E C 1.187 177.822 176.600 0.059 0.000 0.991 156 E CA 1.715 58.162 56.400 0.077 0.000 0.799 156 E CB 0.137 29.863 29.700 0.044 0.000 0.748 156 E HN 0.687 nan 8.360 nan 0.000 0.449 157 T N 0.277 114.870 114.554 0.065 0.000 2.788 157 T HA -0.212 4.140 4.350 0.004 0.000 0.268 157 T C 1.560 176.282 174.700 0.036 0.000 1.044 157 T CA 1.375 63.500 62.100 0.042 0.000 1.139 157 T CB -0.444 68.453 68.868 0.048 0.000 0.867 157 T HN 0.299 nan 8.240 nan 0.000 0.454 158 Y N 1.644 121.931 120.300 -0.021 0.000 2.145 158 Y HA -0.168 4.384 4.550 0.003 0.000 0.286 158 Y C 2.661 178.525 175.900 -0.061 0.000 1.145 158 Y CA 1.571 59.646 58.100 -0.041 0.000 1.148 158 Y CB -0.466 37.989 38.460 -0.009 0.000 0.981 158 Y HN 0.153 nan 8.280 nan 0.000 0.507 159 Q N -0.177 119.561 119.800 -0.103 0.000 2.124 159 Q HA -0.202 4.140 4.340 0.004 0.000 0.202 159 Q C 1.629 177.502 176.000 -0.211 0.000 0.977 159 Q CA 1.859 57.544 55.803 -0.196 0.000 0.850 159 Q CB -0.065 28.659 28.738 -0.024 0.000 0.901 159 Q HN 0.507 nan 8.270 nan 0.000 0.429 160 D N -0.026 120.294 120.400 -0.133 0.000 2.097 160 D HA -0.108 4.534 4.640 0.004 0.000 0.197 160 D C 1.795 178.005 176.300 -0.149 0.000 0.984 160 D CA 0.955 54.888 54.000 -0.112 0.000 0.826 160 D CB -0.086 40.680 40.800 -0.057 0.000 0.973 160 D HN 0.307 nan 8.370 nan 0.000 0.460 161 I N 0.624 121.085 120.570 -0.182 0.000 2.252 161 I HA -0.220 3.953 4.170 0.004 0.000 0.245 161 I C 2.261 178.215 176.117 -0.272 0.000 1.102 161 I CA 0.718 61.885 61.300 -0.223 0.000 1.385 161 I CB -0.167 37.688 38.000 -0.241 0.000 1.064 161 I HN -0.112 nan 8.210 nan 0.000 0.414 162 S N 0.204 115.697 115.700 -0.344 0.000 2.382 162 S HA -0.249 4.224 4.470 0.004 0.000 0.228 162 S C 1.938 176.430 174.600 -0.180 0.000 1.027 162 S CA 1.646 59.675 58.200 -0.284 0.000 0.991 162 S CB -0.247 62.636 63.200 -0.528 0.000 0.823 162 S HN 0.495 nan 8.310 nan 0.000 0.469 163 E N 0.852 120.933 120.200 -0.198 0.000 2.072 163 E HA -0.035 4.317 4.350 0.004 0.000 0.190 163 E C 1.933 178.460 176.600 -0.123 0.000 0.982 163 E CA 0.694 57.007 56.400 -0.146 0.000 0.803 163 E CB -0.094 29.524 29.700 -0.135 0.000 0.755 163 E HN 0.412 nan 8.360 nan 0.000 0.453 164 L N 0.113 121.254 121.223 -0.137 0.000 2.072 164 L HA -0.093 4.249 4.340 0.004 0.000 0.205 164 L C 2.434 179.193 176.870 -0.186 0.000 1.079 164 L CA 0.569 55.335 54.840 -0.123 0.000 0.752 164 L CB -0.182 41.822 42.059 -0.090 0.000 0.906 164 L HN 0.119 nan 8.230 nan 0.000 0.436 165 V N -1.503 118.219 119.914 -0.320 0.000 2.346 165 V HA -0.225 3.897 4.120 0.004 0.000 0.244 165 V C 1.523 177.224 176.094 -0.655 0.000 1.037 165 V CA 1.553 63.509 62.300 -0.574 0.000 1.029 165 V CB -0.400 30.885 31.823 -0.897 0.000 0.663 165 V HN 0.344 nan 8.190 nan 0.000 0.454 166 Y N -0.027 120.168 120.300 -0.175 0.000 2.481 166 Y HA 0.510 5.062 4.550 0.003 0.000 0.247 166 Y C 1.803 177.630 175.900 -0.121 0.000 1.151 166 Y CA 0.138 58.145 58.100 -0.156 0.000 1.238 166 Y CB 0.084 38.415 38.460 -0.215 0.000 1.179 166 Y HN 0.279 nan 8.280 nan 0.000 0.524 167 G N 1.082 109.868 108.800 -0.024 0.000 2.225 167 G HA2 -0.226 3.736 3.960 0.004 0.000 0.267 167 G HA3 -0.226 3.736 3.960 0.004 0.000 0.267 167 G C 0.193 175.064 174.900 -0.048 0.000 1.024 167 G CA 0.246 45.327 45.100 -0.032 0.000 0.784 167 G HN 0.628 nan 8.290 nan 0.000 0.507 168 A N 0.149 122.922 122.820 -0.079 0.000 2.366 168 A HA 0.655 4.977 4.320 0.004 0.000 0.322 168 A C 0.658 178.104 177.584 -0.230 0.000 1.397 168 A CA -0.221 51.718 52.037 -0.164 0.000 0.984 168 A CB 0.412 19.299 19.000 -0.188 0.000 1.149 168 A HN 0.417 nan 8.150 nan 0.000 0.540 169 K N 1.406 121.656 120.400 -0.250 0.000 2.126 169 K HA 0.392 4.714 4.320 0.004 0.000 0.257 169 K C -0.593 175.786 176.600 -0.367 0.000 1.007 169 K CA -0.397 55.735 56.287 -0.259 0.000 0.928 169 K CB 1.445 33.819 32.500 -0.211 0.000 1.013 169 K HN 0.677 nan 8.250 nan 0.000 0.473 170 L N 2.798 123.829 121.223 -0.321 0.000 2.255 170 L HA 0.149 4.491 4.340 0.004 0.000 0.289 170 L C -0.523 176.145 176.870 -0.337 0.000 1.046 170 L CA -0.234 54.385 54.840 -0.369 0.000 0.816 170 L CB 0.757 42.632 42.059 -0.307 0.000 1.197 170 L HN 0.583 nan 8.230 nan 0.000 0.427 171 Q N 7.031 126.561 119.800 -0.450 0.000 2.314 171 Q HA 0.459 4.801 4.340 0.004 0.000 0.259 171 Q C -2.466 173.415 176.000 -0.199 0.000 0.951 171 Q CA -1.908 53.698 55.803 -0.327 0.000 0.909 171 Q CB 1.780 30.260 28.738 -0.431 0.000 1.236 171 Q HN 0.391 nan 8.270 nan 0.000 0.444 172 P HA 0.214 nan 4.420 nan 0.000 0.276 172 P C -1.050 176.166 177.300 -0.140 0.000 1.230 172 P CA 0.053 63.094 63.100 -0.099 0.000 0.776 172 P CB 0.738 32.403 31.700 -0.059 0.000 0.888 173 L N 1.747 122.798 121.223 -0.286 0.000 2.376 173 L HA 0.443 4.785 4.340 0.004 0.000 0.258 173 L C -0.225 176.327 176.870 -0.531 0.000 1.013 173 L CA -0.788 53.805 54.840 -0.412 0.000 0.822 173 L CB 2.311 44.030 42.059 -0.568 0.000 1.388 173 L HN 0.193 nan 8.230 nan 0.000 0.413 174 D N 0.321 120.507 120.400 -0.356 0.000 2.518 174 D HA 0.236 4.879 4.640 0.004 0.000 0.230 174 D C 0.497 176.715 176.300 -0.137 0.000 1.138 174 D CA -0.202 53.667 54.000 -0.217 0.000 0.964 174 D CB 0.373 41.116 40.800 -0.096 0.000 1.011 174 D HN 0.192 nan 8.370 nan 0.000 0.517 175 F N 1.669 121.634 119.950 0.024 0.000 2.163 175 F HA 0.028 4.557 4.527 0.003 0.000 0.297 175 F C 2.262 178.067 175.800 0.009 0.000 1.094 175 F CA 0.613 58.622 58.000 0.014 0.000 1.290 175 F CB -0.358 38.656 39.000 0.023 0.000 1.017 175 F HN 0.239 nan 8.300 nan 0.000 0.483 176 K N 0.047 120.555 120.400 0.179 0.000 2.001 176 K HA -0.249 4.074 4.320 0.004 0.000 0.214 176 K C 1.957 178.596 176.600 0.066 0.000 1.050 176 K CA 2.193 58.540 56.287 0.100 0.000 0.934 176 K CB -0.305 32.230 32.500 0.058 0.000 0.718 176 K HN 0.120 nan 8.250 nan 0.000 0.443 177 E N -0.202 120.024 120.200 0.043 0.000 2.307 177 E HA 0.068 4.420 4.350 0.004 0.000 0.195 177 E C -0.024 176.594 176.600 0.031 0.000 0.975 177 E CA 0.395 56.812 56.400 0.028 0.000 0.878 177 E CB 0.510 30.216 29.700 0.011 0.000 0.845 177 E HN 0.158 nan 8.360 nan 0.000 0.488 178 N N 0.099 118.821 118.700 0.038 0.000 2.696 178 N HA 0.218 4.961 4.740 0.004 0.000 0.308 178 N C -0.011 175.543 175.510 0.074 0.000 1.915 178 N CA 0.365 53.438 53.050 0.038 0.000 0.906 178 N CB 1.441 39.936 38.487 0.013 0.000 1.284 178 N HN 0.043 nan 8.380 nan 0.000 0.488 179 A N 1.388 124.268 122.820 0.101 0.000 1.848 179 A HA -0.194 4.128 4.320 0.004 0.000 0.217 179 A C 1.874 179.514 177.584 0.095 0.000 1.220 179 A CA 1.274 53.393 52.037 0.137 0.000 0.645 179 A CB -0.315 18.736 19.000 0.086 0.000 0.842 179 A HN 0.289 nan 8.150 nan 0.000 0.451 180 E N -0.679 119.552 120.200 0.051 0.000 2.233 180 E HA -0.233 4.119 4.350 0.004 0.000 0.199 180 E C 2.082 178.699 176.600 0.029 0.000 1.004 180 E CA 1.333 57.752 56.400 0.031 0.000 0.819 180 E CB -0.252 29.460 29.700 0.020 0.000 0.738 180 E HN 0.690 nan 8.360 nan 0.000 0.478 181 Q N 0.075 119.894 119.800 0.032 0.000 2.137 181 Q HA -0.019 4.323 4.340 0.004 0.000 0.198 181 Q C 2.114 178.127 176.000 0.021 0.000 0.960 181 Q CA 0.694 56.509 55.803 0.020 0.000 0.847 181 Q CB 0.171 28.917 28.738 0.013 0.000 0.915 181 Q HN 0.111 nan 8.270 nan 0.000 0.448 182 S N 0.838 116.566 115.700 0.047 0.000 2.368 182 S HA -0.160 4.312 4.470 0.004 0.000 0.225 182 S C 1.872 176.498 174.600 0.043 0.000 1.030 182 S CA 1.424 59.661 58.200 0.062 0.000 0.999 182 S CB -0.264 63.053 63.200 0.196 0.000 0.844 182 S HN 0.402 nan 8.310 nan 0.000 0.459 183 R N 1.481 122.009 120.500 0.047 0.000 2.083 183 R HA -0.095 4.247 4.340 0.004 0.000 0.237 183 R C 2.292 178.575 176.300 -0.029 0.000 1.137 183 R CA 1.492 57.587 56.100 -0.009 0.000 0.951 183 R CB -0.565 29.731 30.300 -0.006 0.000 0.851 183 R HN 0.357 nan 8.270 nan 0.000 0.434 184 A N 0.527 123.342 122.820 -0.008 0.000 2.019 184 A HA -0.083 4.239 4.320 0.004 0.000 0.219 184 A C 2.294 179.874 177.584 -0.006 0.000 1.164 184 A CA 1.633 53.667 52.037 -0.005 0.000 0.644 184 A CB -0.609 18.393 19.000 0.003 0.000 0.805 184 A HN 0.600 nan 8.150 nan 0.000 0.449 185 A N 0.045 122.855 122.820 -0.017 0.000 1.854 185 A HA 0.013 4.335 4.320 0.004 0.000 0.214 185 A C 2.083 179.639 177.584 -0.047 0.000 1.192 185 A CA 1.339 53.370 52.037 -0.009 0.000 0.611 185 A CB -0.552 18.441 19.000 -0.012 0.000 0.832 185 A HN 0.455 nan 8.150 nan 0.000 0.442 186 I N 0.238 120.675 120.570 -0.222 0.000 2.226 186 I HA -0.265 3.907 4.170 0.004 0.000 0.245 186 I C 2.156 178.224 176.117 -0.081 0.000 1.100 186 I CA 1.133 62.170 61.300 -0.438 0.000 1.374 186 I CB -0.468 37.122 38.000 -0.684 0.000 1.057 186 I HN 0.315 nan 8.210 nan 0.000 0.413 187 N N 0.783 119.455 118.700 -0.046 0.000 2.166 187 N HA -0.173 4.569 4.740 0.004 0.000 0.186 187 N C 1.878 177.416 175.510 0.047 0.000 1.019 187 N CA 1.061 54.117 53.050 0.010 0.000 0.856 187 N CB -0.179 38.306 38.487 -0.004 0.000 0.993 187 N HN 0.219 nan 8.380 nan 0.000 0.426 188 K N 0.355 120.788 120.400 0.055 0.000 2.057 188 K HA -0.141 4.181 4.320 0.004 0.000 0.207 188 K C 1.878 178.540 176.600 0.105 0.000 1.049 188 K CA 0.647 56.971 56.287 0.062 0.000 0.931 188 K CB -0.680 31.858 32.500 0.063 0.000 0.714 188 K HN 0.290 nan 8.250 nan 0.000 0.440 189 W N 1.052 122.354 121.300 0.002 0.000 2.338 189 W HA -0.214 4.448 4.660 0.003 0.000 0.304 189 W C 1.812 178.355 176.519 0.040 0.000 1.212 189 W CA 1.282 58.660 57.345 0.054 0.000 1.264 189 W CB -0.293 29.271 29.460 0.173 0.000 1.142 189 W HN -0.189 nan 8.180 nan 0.000 0.512 190 V N -0.191 119.808 119.914 0.142 0.000 2.591 190 V HA -0.235 3.888 4.120 0.004 0.000 0.249 190 V C 2.468 178.486 176.094 -0.126 0.000 1.053 190 V CA 2.049 64.325 62.300 -0.039 0.000 1.068 190 V CB -0.737 31.169 31.823 0.138 0.000 0.689 190 V HN 0.301 nan 8.190 nan 0.000 0.462 191 S N 0.283 115.942 115.700 -0.069 0.000 2.399 191 S HA -0.213 4.259 4.470 0.004 0.000 0.231 191 S C 1.978 176.486 174.600 -0.154 0.000 1.022 191 S CA 1.761 59.912 58.200 -0.081 0.000 0.983 191 S CB -0.418 62.756 63.200 -0.044 0.000 0.803 191 S HN 0.626 nan 8.310 nan 0.000 0.480 192 N N 1.155 119.731 118.700 -0.206 0.000 2.171 192 N HA 0.020 4.762 4.740 0.004 0.000 0.184 192 N C 1.368 176.664 175.510 -0.356 0.000 1.021 192 N CA 0.941 53.837 53.050 -0.258 0.000 0.854 192 N CB -0.171 38.161 38.487 -0.258 0.000 0.994 192 N HN 0.258 nan 8.380 nan 0.000 0.426 193 K N -0.111 119.995 120.400 -0.490 0.000 2.486 193 K HA 0.066 4.388 4.320 0.004 0.000 0.194 193 K C 0.925 177.343 176.600 -0.303 0.000 1.033 193 K CA 0.604 56.606 56.287 -0.475 0.000 1.004 193 K CB -0.109 31.957 32.500 -0.722 0.000 0.798 193 K HN 0.389 nan 8.250 nan 0.000 0.495 194 T N -1.689 112.714 114.554 -0.252 0.000 3.252 194 T HA 0.157 4.509 4.350 0.004 0.000 0.286 194 T C -0.196 174.340 174.700 -0.273 0.000 1.013 194 T CA -0.410 61.612 62.100 -0.130 0.000 0.914 194 T CB 0.195 69.092 68.868 0.048 0.000 1.131 194 T HN -0.009 nan 8.240 nan 0.000 0.529 195 E N 0.905 120.843 120.200 -0.437 0.000 2.360 195 E HA -0.244 4.108 4.350 0.004 0.000 0.238 195 E C 1.198 177.694 176.600 -0.173 0.000 1.186 195 E CA 1.064 57.240 56.400 -0.373 0.000 0.719 195 E CB -2.056 27.294 29.700 -0.583 0.000 1.236 195 E HN 1.247 nan 8.360 nan 0.000 0.386 196 G N -0.231 108.493 108.800 -0.126 0.000 2.184 196 G HA2 -0.421 3.541 3.960 0.004 0.000 0.264 196 G HA3 -0.421 3.541 3.960 0.004 0.000 0.264 196 G C 1.051 175.935 174.900 -0.027 0.000 0.975 196 G CA 0.694 45.753 45.100 -0.067 0.000 0.642 196 G HN 0.263 nan 8.290 nan 0.000 0.536 197 R N -0.243 120.257 120.500 -0.001 0.000 2.075 197 R HA 0.183 4.525 4.340 0.004 0.000 0.226 197 R C 1.294 177.620 176.300 0.043 0.000 1.114 197 R CA 0.861 56.986 56.100 0.042 0.000 0.972 197 R CB -0.169 30.198 30.300 0.111 0.000 0.869 197 R HN 0.466 nan 8.270 nan 0.000 0.437 198 I N 2.345 122.939 120.570 0.041 0.000 2.347 198 I HA 0.098 4.270 4.170 0.004 0.000 0.283 198 I C 1.227 177.355 176.117 0.018 0.000 1.058 198 I CA 0.052 61.377 61.300 0.041 0.000 1.202 198 I CB 0.867 38.904 38.000 0.061 0.000 1.386 198 I HN 0.104 nan 8.210 nan 0.000 0.475 199 T N -0.613 113.949 114.554 0.014 0.000 3.033 199 T HA 0.050 4.402 4.350 0.004 0.000 0.248 199 T C 0.794 175.500 174.700 0.009 0.000 1.040 199 T CA 0.906 63.010 62.100 0.006 0.000 1.133 199 T CB -0.100 68.768 68.868 0.001 0.000 0.895 199 T HN 0.511 nan 8.240 nan 0.000 0.465 200 D N 1.229 121.636 120.400 0.012 0.000 3.018 200 D HA 0.636 5.278 4.640 0.004 0.000 0.331 200 D C 1.285 177.590 176.300 0.008 0.000 1.334 200 D CA 0.031 54.036 54.000 0.008 0.000 0.900 200 D CB 0.052 40.857 40.800 0.008 0.000 1.059 200 D HN 0.214 nan 8.370 nan 0.000 0.498 201 V N -0.071 119.850 119.914 0.011 0.000 2.332 201 V HA 0.022 4.144 4.120 0.004 0.000 0.248 201 V C 0.884 176.977 176.094 -0.002 0.000 1.055 201 V CA 1.332 63.638 62.300 0.009 0.000 1.038 201 V CB -0.192 31.646 31.823 0.025 0.000 0.651 201 V HN 0.670 nan 8.190 nan 0.000 0.450 202 I N 3.368 123.930 120.570 -0.013 0.000 2.304 202 I HA 0.320 4.492 4.170 0.004 0.000 0.291 202 I C -1.956 174.151 176.117 -0.017 0.000 1.018 202 I CA -1.842 59.444 61.300 -0.025 0.000 1.260 202 I CB 1.388 39.357 38.000 -0.053 0.000 1.390 202 I HN 0.242 nan 8.210 nan 0.000 0.475 203 P HA 0.042 nan 4.420 nan 0.000 0.277 203 P C -0.175 177.120 177.300 -0.008 0.000 1.276 203 P CA -0.380 62.719 63.100 -0.003 0.000 0.788 203 P CB 0.782 32.486 31.700 0.007 0.000 1.114 204 S N -0.761 114.937 115.700 -0.003 0.000 2.576 204 S HA 0.048 4.520 4.470 0.004 0.000 0.276 204 S C 0.646 175.243 174.600 -0.006 0.000 1.339 204 S CA 0.193 58.391 58.200 -0.003 0.000 1.039 204 S CB -0.785 62.415 63.200 0.001 0.000 0.902 204 S HN 0.547 nan 8.310 nan 0.000 0.516 205 E N 0.397 120.592 120.200 -0.008 0.000 3.799 205 E HA -0.309 4.043 4.350 0.004 0.000 0.320 205 E C 1.068 177.655 176.600 -0.022 0.000 0.760 205 E CA 0.912 57.306 56.400 -0.011 0.000 1.153 205 E CB -1.924 27.773 29.700 -0.004 0.000 1.589 205 E HN 0.727 nan 8.360 nan 0.000 0.448 206 A N 0.407 123.209 122.820 -0.030 0.000 2.014 206 A HA 0.108 4.431 4.320 0.004 0.000 0.218 206 A C 1.192 178.728 177.584 -0.081 0.000 1.163 206 A CA 0.754 52.764 52.037 -0.045 0.000 0.652 206 A CB 0.153 19.128 19.000 -0.043 0.000 0.808 206 A HN 0.243 nan 8.150 nan 0.000 0.449 207 I N 0.819 121.337 120.570 -0.087 0.000 2.433 207 I HA 0.346 4.518 4.170 0.004 0.000 0.292 207 I C -0.704 175.370 176.117 -0.072 0.000 1.001 207 I CA -0.763 60.454 61.300 -0.138 0.000 1.119 207 I CB 1.896 39.797 38.000 -0.165 0.000 1.289 207 I HN 0.486 nan 8.210 nan 0.000 0.438 208 N N 2.933 121.587 118.700 -0.076 0.000 3.204 208 N HA 0.181 4.923 4.740 0.004 0.000 0.285 208 N C 0.121 175.641 175.510 0.016 0.000 1.536 208 N CA -0.974 52.068 53.050 -0.013 0.000 0.832 208 N CB 0.346 38.825 38.487 -0.014 0.000 1.645 208 N HN 0.547 nan 8.380 nan 0.000 0.586 209 E N -0.456 119.767 120.200 0.038 0.000 2.284 209 E HA -0.163 4.190 4.350 0.004 0.000 0.200 209 E C 0.964 177.594 176.600 0.050 0.000 1.008 209 E CA 1.324 57.760 56.400 0.060 0.000 0.829 209 E CB -0.514 29.210 29.700 0.041 0.000 0.744 209 E HN 0.528 nan 8.360 nan 0.000 0.491 210 L N 0.986 122.217 121.223 0.014 0.000 2.446 210 L HA 0.072 4.414 4.340 0.004 0.000 0.219 210 L C 0.868 177.728 176.870 -0.016 0.000 1.116 210 L CA 0.035 54.876 54.840 0.002 0.000 0.844 210 L CB -0.312 41.740 42.059 -0.012 0.000 0.970 210 L HN -0.003 nan 8.230 nan 0.000 0.457 211 T N -0.154 114.357 114.554 -0.072 0.000 2.939 211 T HA 0.036 4.388 4.350 0.004 0.000 0.319 211 T C 1.039 175.713 174.700 -0.044 0.000 1.082 211 T CA 0.141 62.120 62.100 -0.201 0.000 1.133 211 T CB 2.190 70.718 68.868 -0.567 0.000 1.019 211 T HN -0.108 nan 8.240 nan 0.000 0.548 212 V N 1.899 121.805 119.914 -0.014 0.000 3.137 212 V HA 0.411 4.533 4.120 0.004 0.000 0.236 212 V C -0.191 176.135 176.094 0.387 0.000 1.260 212 V CA 0.013 62.438 62.300 0.209 0.000 1.244 212 V CB 0.519 32.417 31.823 0.125 0.000 1.016 212 V HN 0.624 nan 8.190 nan 0.000 0.477 213 L N -0.006 121.322 121.223 0.174 0.000 2.549 213 L HA 0.687 5.029 4.340 0.004 0.000 0.259 213 L C -1.638 175.248 176.870 0.026 0.000 0.934 213 L CA -0.256 54.692 54.840 0.179 0.000 0.865 213 L CB 2.260 44.391 42.059 0.121 0.000 1.352 213 L HN -0.135 nan 8.230 nan 0.000 0.410 214 V N 5.544 125.512 119.914 0.089 0.000 2.407 214 V HA 0.511 4.633 4.120 0.004 0.000 0.291 214 V C -0.683 175.458 176.094 0.080 0.000 1.018 214 V CA -0.458 61.863 62.300 0.034 0.000 0.842 214 V CB 1.526 33.363 31.823 0.024 0.000 0.996 214 V HN 0.550 nan 8.190 nan 0.000 0.426 215 L N 6.275 127.477 121.223 -0.034 0.000 2.275 215 L HA 0.663 5.005 4.340 0.004 0.000 0.288 215 L C -0.151 176.688 176.870 -0.050 0.000 1.046 215 L CA -0.026 54.765 54.840 -0.082 0.000 0.805 215 L CB 1.606 43.560 42.059 -0.175 0.000 1.193 215 L HN 0.388 nan 8.230 nan 0.000 0.426 216 V N 3.038 122.956 119.914 0.007 0.000 2.656 216 V HA 0.548 4.670 4.120 0.004 0.000 0.307 216 V C -0.390 175.774 176.094 0.116 0.000 1.051 216 V CA -0.786 61.575 62.300 0.101 0.000 0.893 216 V CB 1.967 33.970 31.823 0.300 0.000 0.999 216 V HN 0.850 nan 8.190 nan 0.000 0.426 217 N N 2.224 120.986 118.700 0.104 0.000 2.272 217 N HA 0.698 5.441 4.740 0.004 0.000 0.305 217 N C -1.036 174.554 175.510 0.132 0.000 1.103 217 N CA -0.111 52.996 53.050 0.095 0.000 0.791 217 N CB 2.819 41.304 38.487 -0.002 0.000 1.356 217 N HN 0.859 nan 8.380 nan 0.000 0.486 218 T N -0.146 114.468 114.554 0.101 0.000 2.916 218 T HA 0.633 4.985 4.350 0.004 0.000 0.305 218 T C -0.438 174.286 174.700 0.040 0.000 1.119 218 T CA -0.697 61.442 62.100 0.065 0.000 1.008 218 T CB 1.161 70.015 68.868 -0.023 0.000 1.129 218 T HN 0.381 nan 8.240 nan 0.000 0.480 219 I N 2.164 122.803 120.570 0.116 0.000 2.569 219 I HA 0.489 4.661 4.170 0.004 0.000 0.290 219 I C -1.711 174.609 176.117 0.338 0.000 1.088 219 I CA -1.070 60.329 61.300 0.165 0.000 1.047 219 I CB 2.402 40.481 38.000 0.131 0.000 1.237 219 I HN 0.785 nan 8.210 nan 0.000 0.421 220 Y N 7.274 127.690 120.300 0.194 0.000 2.391 220 Y HA 0.646 5.198 4.550 0.003 0.000 0.341 220 Y C -1.832 174.238 175.900 0.283 0.000 0.965 220 Y CA -1.090 57.132 58.100 0.203 0.000 1.067 220 Y CB 1.779 40.267 38.460 0.048 0.000 1.199 220 Y HN 0.437 nan 8.280 nan 0.000 0.450 221 F N 6.429 125.975 119.950 -0.673 0.000 2.569 221 F HA 0.660 5.189 4.527 0.004 0.000 0.312 221 F C -1.781 173.576 175.800 -0.738 0.000 1.109 221 F CA -0.795 56.923 58.000 -0.471 0.000 0.919 221 F CB 1.590 40.533 39.000 -0.095 0.000 1.211 221 F HN 0.480 nan 8.300 nan 0.000 0.446 222 K N 4.489 123.944 120.400 -1.574 0.000 2.695 222 K HA 0.610 4.932 4.320 0.004 0.000 0.255 222 K C -1.239 174.664 176.600 -1.161 0.000 1.016 222 K CA -0.510 55.015 56.287 -1.271 0.000 0.928 222 K CB 1.319 33.484 32.500 -0.558 0.000 1.235 222 K HN 0.967 nan 8.250 nan 0.000 0.467 223 G N 3.007 111.024 108.800 -1.305 0.000 2.630 223 G HA2 0.659 4.622 3.960 0.004 0.000 0.296 223 G HA3 0.659 4.622 3.960 0.004 0.000 0.296 223 G C -1.278 173.453 174.900 -0.282 0.000 1.285 223 G CA -0.830 43.882 45.100 -0.647 0.000 0.958 223 G HN 0.407 nan 8.290 nan 0.000 0.479 224 L N -0.268 120.941 121.223 -0.023 0.000 2.331 224 L HA 0.440 4.782 4.340 0.004 0.000 0.275 224 L C -0.393 176.608 176.870 0.217 0.000 1.022 224 L CA -0.874 53.977 54.840 0.018 0.000 0.812 224 L CB 1.902 43.993 42.059 0.053 0.000 1.257 224 L HN 0.598 nan 8.230 nan 0.000 0.435 225 W N 2.186 123.647 121.300 0.267 0.000 2.193 225 W HA 0.040 4.702 4.660 0.003 0.000 0.338 225 W C 1.493 178.076 176.519 0.107 0.000 1.310 225 W CA -0.203 57.236 57.345 0.158 0.000 1.243 225 W CB 0.621 30.169 29.460 0.147 0.000 1.165 225 W HN 0.582 nan 8.180 nan 0.000 0.566 226 K N 1.159 121.768 120.400 0.348 0.000 2.217 226 K HA -0.126 4.196 4.320 0.004 0.000 0.202 226 K C 0.816 177.482 176.600 0.110 0.000 1.051 226 K CA 1.155 57.551 56.287 0.181 0.000 0.952 226 K CB 0.047 32.617 32.500 0.116 0.000 0.736 226 K HN 0.267 nan 8.250 nan 0.000 0.453 227 S N 1.153 116.922 115.700 0.114 0.000 2.269 227 S HA 0.161 4.633 4.470 0.004 0.000 0.194 227 S C -0.715 173.888 174.600 0.005 0.000 1.547 227 S CA -0.857 57.340 58.200 -0.005 0.000 1.186 227 S CB 0.356 63.462 63.200 -0.158 0.000 1.069 227 S HN 0.311 nan 8.310 nan 0.000 0.473 228 K N 2.504 122.985 120.400 0.135 0.000 2.552 228 K HA -0.009 4.313 4.320 0.004 0.000 0.276 228 K C -1.017 175.609 176.600 0.044 0.000 0.960 228 K CA 0.636 57.058 56.287 0.225 0.000 0.961 228 K CB 0.236 32.856 32.500 0.201 0.000 0.902 228 K HN 0.462 nan 8.250 nan 0.000 0.515 229 F N 0.649 120.689 119.950 0.150 0.000 2.470 229 F HA 0.217 4.746 4.527 0.003 0.000 0.329 229 F C 0.533 176.395 175.800 0.104 0.000 1.072 229 F CA -0.306 57.740 58.000 0.077 0.000 0.989 229 F CB 2.015 41.053 39.000 0.063 0.000 1.193 229 F HN 0.408 nan 8.300 nan 0.000 0.481 230 S N 3.482 119.355 115.700 0.288 0.000 2.438 230 S HA 0.353 4.825 4.470 0.004 0.000 0.316 230 S C -1.837 172.877 174.600 0.190 0.000 1.084 230 S CA -1.667 56.651 58.200 0.198 0.000 1.107 230 S CB 1.122 64.407 63.200 0.141 0.000 0.981 230 S HN 0.317 nan 8.310 nan 0.000 0.466 231 P HA -0.133 nan 4.420 nan 0.000 0.218 231 P C 1.451 178.811 177.300 0.100 0.000 1.154 231 P CA 2.033 65.203 63.100 0.116 0.000 0.872 231 P CB 0.027 31.781 31.700 0.090 0.000 0.790 232 E N -0.654 119.601 120.200 0.091 0.000 2.501 232 E HA -0.193 4.159 4.350 0.004 0.000 0.203 232 E C 1.507 178.155 176.600 0.081 0.000 1.072 232 E CA 1.161 57.605 56.400 0.073 0.000 0.885 232 E CB -1.357 28.380 29.700 0.062 0.000 0.813 232 E HN 0.339 nan 8.360 nan 0.000 0.556 233 N N -0.622 118.149 118.700 0.118 0.000 2.197 233 N HA 0.027 4.770 4.740 0.004 0.000 0.201 233 N C -0.101 175.500 175.510 0.150 0.000 1.148 233 N CA 0.233 53.366 53.050 0.138 0.000 0.883 233 N CB 1.003 39.628 38.487 0.230 0.000 1.012 233 N HN 0.271 nan 8.380 nan 0.000 0.507 234 T N 1.632 116.264 114.554 0.130 0.000 2.907 234 T HA 0.345 4.697 4.350 0.004 0.000 0.298 234 T C 0.445 175.195 174.700 0.084 0.000 1.017 234 T CA 0.121 62.289 62.100 0.112 0.000 1.118 234 T CB 1.182 70.096 68.868 0.077 0.000 0.948 234 T HN 0.016 nan 8.240 nan 0.000 0.531 235 R N 0.745 121.299 120.500 0.091 0.000 2.771 235 R HA 0.460 4.803 4.340 0.004 0.000 0.274 235 R C -0.788 175.555 176.300 0.072 0.000 0.987 235 R CA -1.033 55.110 56.100 0.072 0.000 0.908 235 R CB 1.647 31.989 30.300 0.070 0.000 1.213 235 R HN 0.273 nan 8.270 nan 0.000 0.468 236 K N 1.653 122.086 120.400 0.055 0.000 2.298 236 K HA 0.260 4.583 4.320 0.004 0.000 0.280 236 K C -0.409 176.231 176.600 0.067 0.000 1.032 236 K CA -0.213 56.105 56.287 0.051 0.000 0.958 236 K CB 0.958 33.480 32.500 0.036 0.000 0.978 236 K HN 0.572 nan 8.250 nan 0.000 0.472 237 E N 0.751 120.998 120.200 0.077 0.000 2.433 237 E HA 0.385 4.737 4.350 0.004 0.000 0.278 237 E C -0.765 175.890 176.600 0.092 0.000 0.976 237 E CA -0.895 55.564 56.400 0.099 0.000 0.793 237 E CB 1.701 31.485 29.700 0.140 0.000 1.311 237 E HN 0.266 nan 8.360 nan 0.000 0.460 238 L N 1.894 123.171 121.223 0.091 0.000 2.326 238 L HA 0.403 4.745 4.340 0.004 0.000 0.278 238 L C -0.619 176.296 176.870 0.075 0.000 1.092 238 L CA -0.380 54.471 54.840 0.019 0.000 0.810 238 L CB 0.277 42.294 42.059 -0.071 0.000 1.153 238 L HN 0.439 nan 8.230 nan 0.000 0.439 239 F N 3.317 123.193 119.950 -0.123 0.000 2.482 239 F HA 0.429 4.958 4.527 0.003 0.000 0.331 239 F C -1.004 174.713 175.800 -0.138 0.000 1.115 239 F CA -0.715 57.261 58.000 -0.040 0.000 0.955 239 F CB 1.031 40.009 39.000 -0.037 0.000 1.136 239 F HN 0.162 nan 8.300 nan 0.000 0.452 240 Y N 5.655 125.620 120.300 -0.559 0.000 2.385 240 Y HA 0.386 4.938 4.550 0.003 0.000 0.341 240 Y C 0.422 176.115 175.900 -0.345 0.000 0.965 240 Y CA -0.641 57.270 58.100 -0.316 0.000 1.180 240 Y CB 0.936 39.211 38.460 -0.308 0.000 1.139 240 Y HN 0.491 nan 8.280 nan 0.000 0.502 241 K N 1.186 121.655 120.400 0.116 0.000 2.132 241 K HA 0.336 4.659 4.320 0.004 0.000 0.240 241 K C 1.125 177.766 176.600 0.069 0.000 1.036 241 K CA 0.258 56.652 56.287 0.178 0.000 0.888 241 K CB 0.556 33.167 32.500 0.186 0.000 1.071 241 K HN 0.791 nan 8.250 nan 0.000 0.502 242 A N 1.452 124.308 122.820 0.060 0.000 1.940 242 A HA -0.193 4.129 4.320 0.004 0.000 0.219 242 A C 1.423 179.019 177.584 0.020 0.000 1.176 242 A CA 2.233 54.283 52.037 0.021 0.000 0.631 242 A CB -0.662 18.348 19.000 0.016 0.000 0.814 242 A HN 0.881 nan 8.150 nan 0.000 0.446 243 D N -2.456 117.964 120.400 0.033 0.000 2.349 243 D HA 0.282 4.925 4.640 0.004 0.000 0.224 243 D C 1.183 177.513 176.300 0.051 0.000 1.029 243 D CA 1.100 55.119 54.000 0.032 0.000 0.879 243 D CB -0.421 40.395 40.800 0.027 0.000 0.906 243 D HN 0.776 nan 8.370 nan 0.000 0.528 244 G N -0.516 108.327 108.800 0.071 0.000 2.234 244 G HA2 -0.266 3.696 3.960 0.004 0.000 0.235 244 G HA3 -0.266 3.696 3.960 0.004 0.000 0.235 244 G C 0.169 175.170 174.900 0.168 0.000 0.997 244 G CA 0.026 45.200 45.100 0.124 0.000 0.623 244 G HN 0.365 nan 8.290 nan 0.000 0.514 245 E N 1.175 121.435 120.200 0.099 0.000 2.408 245 E HA 0.484 4.836 4.350 0.004 0.000 0.259 245 E C 0.748 177.355 176.600 0.011 0.000 1.110 245 E CA 0.717 57.154 56.400 0.062 0.000 0.929 245 E CB 1.306 31.030 29.700 0.040 0.000 0.971 245 E HN 0.815 nan 8.360 nan 0.000 0.438 246 S N -0.348 115.302 115.700 -0.083 0.000 2.638 246 S HA 0.770 5.243 4.470 0.004 0.000 0.302 246 S C -0.112 174.430 174.600 -0.097 0.000 1.096 246 S CA -0.760 57.300 58.200 -0.234 0.000 0.953 246 S CB 1.230 64.100 63.200 -0.552 0.000 1.107 246 S HN 0.760 nan 8.310 nan 0.000 0.503 247 c N -0.586 117.977 118.600 -0.061 0.000 3.318 247 c HA 0.853 5.425 4.570 0.004 0.000 0.322 247 c C -0.131 173.956 174.090 -0.006 0.000 1.398 247 c CA -0.782 55.535 56.329 -0.021 0.000 1.339 247 c CB 0.808 43.314 42.510 -0.006 0.000 1.668 247 c HN 0.896 nan 8.230 nan 0.000 0.462 248 S N 0.561 116.257 115.700 -0.008 0.000 2.499 248 S HA 0.746 5.219 4.470 0.004 0.000 0.279 248 S C -0.011 174.595 174.600 0.009 0.000 1.219 248 S CA 0.332 58.537 58.200 0.007 0.000 1.062 248 S CB 0.295 63.498 63.200 0.004 0.000 0.978 248 S HN 1.762 nan 8.310 nan 0.000 0.489 249 A N 3.623 126.465 122.820 0.035 0.000 2.413 249 A HA 0.747 5.069 4.320 0.004 0.000 0.307 249 A C -0.481 177.125 177.584 0.037 0.000 1.087 249 A CA -0.710 51.340 52.037 0.021 0.000 0.750 249 A CB 1.590 20.608 19.000 0.030 0.000 1.296 249 A HN 0.670 nan 8.150 nan 0.000 0.423 250 S N 2.424 118.141 115.700 0.028 0.000 2.430 250 S HA 0.465 4.938 4.470 0.004 0.000 0.289 250 S C -0.225 174.393 174.600 0.029 0.000 1.143 250 S CA -0.362 57.859 58.200 0.035 0.000 1.067 250 S CB 0.172 63.390 63.200 0.029 0.000 0.964 250 S HN 0.563 nan 8.310 nan 0.000 0.485 251 M N 3.825 123.447 119.600 0.037 0.000 2.238 251 M HA 0.436 4.918 4.480 0.004 0.000 0.350 251 M C -0.143 176.191 176.300 0.056 0.000 1.138 251 M CA -0.096 55.198 55.300 -0.010 0.000 1.040 251 M CB 1.036 33.595 32.600 -0.068 0.000 1.639 251 M HN 0.477 nan 8.290 nan 0.000 0.451 252 M N 2.162 121.745 119.600 -0.029 0.000 2.291 252 M HA 0.397 4.879 4.480 0.004 0.000 0.324 252 M C -1.133 175.361 176.300 0.324 0.000 1.148 252 M CA -0.393 54.906 55.300 -0.003 0.000 1.104 252 M CB 1.245 33.507 32.600 -0.563 0.000 1.483 252 M HN 0.555 nan 8.290 nan 0.000 0.467 253 Y N 1.600 122.100 120.300 0.335 0.000 2.441 253 Y HA 0.419 4.971 4.550 0.004 0.000 0.334 253 Y C -1.370 174.678 175.900 0.246 0.000 1.061 253 Y CA -0.547 57.746 58.100 0.322 0.000 1.032 253 Y CB 1.567 40.135 38.460 0.181 0.000 1.266 253 Y HN 0.707 nan 8.280 nan 0.000 0.441 254 Q N 3.353 122.929 119.800 -0.374 0.000 2.527 254 Q HA 0.558 4.900 4.340 0.004 0.000 0.280 254 Q C -2.170 173.535 176.000 -0.491 0.000 0.977 254 Q CA -1.142 54.455 55.803 -0.344 0.000 0.837 254 Q CB 2.609 31.090 28.738 -0.428 0.000 1.454 254 Q HN 0.678 nan 8.270 nan 0.000 0.387 255 E N 0.375 120.423 120.200 -0.253 0.000 2.238 255 E HA 0.837 5.189 4.350 0.004 0.000 0.267 255 E C -0.582 176.012 176.600 -0.009 0.000 0.887 255 E CA -0.912 55.388 56.400 -0.167 0.000 0.769 255 E CB 2.174 31.812 29.700 -0.103 0.000 1.187 255 E HN 0.869 nan 8.360 nan 0.000 0.416 256 G N 1.390 110.253 108.800 0.105 0.000 2.340 256 G HA2 0.158 4.121 3.960 0.004 0.000 0.299 256 G HA3 0.158 4.121 3.960 0.004 0.000 0.299 256 G C -1.487 173.459 174.900 0.076 0.000 1.291 256 G CA -0.960 44.181 45.100 0.068 0.000 0.841 256 G HN 0.190 nan 8.290 nan 0.000 0.500 257 K N 0.332 120.614 120.400 -0.197 0.000 2.312 257 K HA 0.563 4.885 4.320 0.004 0.000 0.287 257 K C -1.394 174.950 176.600 -0.426 0.000 1.062 257 K CA 0.167 56.342 56.287 -0.187 0.000 0.934 257 K CB 0.805 33.192 32.500 -0.189 0.000 1.027 257 K HN 0.308 nan 8.250 nan 0.000 0.478 258 F N 0.568 120.469 119.950 -0.081 0.000 2.601 258 F HA 0.353 4.882 4.527 0.003 0.000 0.309 258 F C 0.523 176.323 175.800 -0.001 0.000 1.089 258 F CA -1.141 56.822 58.000 -0.062 0.000 0.940 258 F CB 1.611 40.549 39.000 -0.103 0.000 1.273 258 F HN 0.165 nan 8.300 nan 0.000 0.450 259 R N 1.792 122.417 120.500 0.208 0.000 2.401 259 R HA 0.336 4.678 4.340 0.004 0.000 0.299 259 R C -1.393 175.042 176.300 0.225 0.000 1.064 259 R CA -0.111 56.084 56.100 0.159 0.000 1.000 259 R CB 0.660 31.024 30.300 0.106 0.000 0.973 259 R HN 0.689 nan 8.270 nan 0.000 0.438 260 Y N 1.276 121.592 120.300 0.027 0.000 2.689 260 Y HA 0.556 5.109 4.550 0.004 0.000 0.333 260 Y C -1.431 174.455 175.900 -0.023 0.000 1.190 260 Y CA -1.223 56.872 58.100 -0.009 0.000 1.063 260 Y CB 1.877 40.326 38.460 -0.019 0.000 1.294 260 Y HN 0.558 nan 8.280 nan 0.000 0.466 261 R N 2.414 122.367 120.500 -0.913 0.000 2.907 261 R HA 0.335 4.677 4.340 0.004 0.000 0.246 261 R C -2.451 173.354 176.300 -0.825 0.000 1.082 261 R CA -0.636 55.102 56.100 -0.602 0.000 1.003 261 R CB 1.045 31.167 30.300 -0.296 0.000 1.261 261 R HN 0.743 nan 8.270 nan 0.000 0.474 262 R N 4.619 124.845 120.500 -0.458 0.000 2.332 262 R HA 0.360 4.702 4.340 0.004 0.000 0.306 262 R C -0.251 175.906 176.300 -0.238 0.000 1.117 262 R CA -0.355 55.544 56.100 -0.336 0.000 1.108 262 R CB 0.653 30.878 30.300 -0.125 0.000 1.126 262 R HN 0.533 nan 8.270 nan 0.000 0.548 263 V N 2.158 121.881 119.914 -0.317 0.000 4.045 263 V HA 0.090 4.212 4.120 0.004 0.000 0.265 263 V C 1.086 177.107 176.094 -0.121 0.000 0.889 263 V CA 0.234 62.395 62.300 -0.230 0.000 0.887 263 V CB 0.101 31.662 31.823 -0.437 0.000 1.193 263 V HN 0.762 nan 8.190 nan 0.000 0.406 264 A N -0.821 121.972 122.820 -0.045 0.000 2.302 264 A HA 0.589 4.911 4.320 0.004 0.000 0.285 264 A C 0.988 178.563 177.584 -0.015 0.000 1.105 264 A CA 0.609 52.645 52.037 -0.002 0.000 0.816 264 A CB 0.189 19.222 19.000 0.055 0.000 1.067 264 A HN 1.881 nan 8.150 nan 0.000 0.489 265 E N -0.457 119.738 120.200 -0.008 0.000 3.799 265 E HA 0.010 4.362 4.350 0.004 0.000 0.320 265 E C 1.940 178.520 176.600 -0.034 0.000 0.760 265 E CA 2.182 58.577 56.400 -0.009 0.000 1.153 265 E CB -2.260 27.446 29.700 0.011 0.000 1.589 265 E HN 3.034 nan 8.360 nan 0.000 0.448 266 G N -2.265 106.499 108.800 -0.059 0.000 2.157 266 G HA2 -0.016 3.946 3.960 0.004 0.000 0.239 266 G HA3 -0.016 3.946 3.960 0.004 0.000 0.239 266 G C 0.657 175.484 174.900 -0.121 0.000 0.982 266 G CA 0.750 45.805 45.100 -0.075 0.000 0.650 266 G HN 1.540 nan 8.290 nan 0.000 0.527 267 T N 1.262 115.707 114.554 -0.183 0.000 2.919 267 T HA 0.481 4.833 4.350 0.004 0.000 0.302 267 T C 0.394 174.868 174.700 -0.377 0.000 1.031 267 T CA 0.418 62.348 62.100 -0.283 0.000 1.127 267 T CB 1.151 69.768 68.868 -0.419 0.000 0.952 267 T HN 0.475 nan 8.240 nan 0.000 0.540 268 Q N 1.163 120.765 119.800 -0.331 0.000 2.309 268 Q HA 0.669 5.011 4.340 0.004 0.000 0.264 268 Q C -1.172 174.592 176.000 -0.393 0.000 1.008 268 Q CA -0.907 54.674 55.803 -0.370 0.000 0.853 268 Q CB 2.143 30.804 28.738 -0.129 0.000 1.314 268 Q HN 0.385 nan 8.270 nan 0.000 0.448 269 V N 2.814 122.435 119.914 -0.490 0.000 2.483 269 V HA 0.492 4.615 4.120 0.004 0.000 0.297 269 V C -1.222 174.762 176.094 -0.183 0.000 1.027 269 V CA -0.798 61.323 62.300 -0.299 0.000 0.855 269 V CB 1.555 33.200 31.823 -0.296 0.000 0.995 269 V HN 0.577 nan 8.190 nan 0.000 0.424 270 L N 3.641 124.859 121.223 -0.008 0.000 2.381 270 L HA 0.671 5.013 4.340 0.004 0.000 0.274 270 L C -0.447 176.468 176.870 0.077 0.000 0.988 270 L CA -0.070 54.827 54.840 0.095 0.000 0.824 270 L CB 1.879 43.990 42.059 0.086 0.000 1.263 270 L HN 0.806 nan 8.230 nan 0.000 0.410 271 E N 5.358 125.622 120.200 0.106 0.000 2.114 271 E HA 0.419 4.771 4.350 0.004 0.000 0.266 271 E C -1.567 175.118 176.600 0.142 0.000 0.896 271 E CA -0.541 55.931 56.400 0.121 0.000 0.750 271 E CB 0.910 30.681 29.700 0.118 0.000 1.121 271 E HN 0.715 nan 8.360 nan 0.000 0.413 272 L N 7.733 129.014 121.223 0.096 0.000 2.264 272 L HA 0.453 4.795 4.340 0.004 0.000 0.287 272 L C -2.098 174.795 176.870 0.038 0.000 1.039 272 L CA -1.937 52.931 54.840 0.046 0.000 0.829 272 L CB 0.980 42.901 42.059 -0.231 0.000 1.211 272 L HN 0.390 nan 8.230 nan 0.000 0.427 273 P HA 0.305 nan 4.420 nan 0.000 0.284 273 P C -0.969 176.342 177.300 0.018 0.000 1.258 273 P CA -0.421 62.704 63.100 0.041 0.000 0.824 273 P CB 1.150 32.911 31.700 0.101 0.000 1.038 274 F N 0.104 120.256 119.950 0.337 0.000 2.378 274 F HA 0.198 4.727 4.527 0.003 0.000 0.325 274 F C 2.267 178.185 175.800 0.197 0.000 1.097 274 F CA -0.307 57.863 58.000 0.284 0.000 1.079 274 F CB 0.210 39.367 39.000 0.262 0.000 1.240 274 F HN 0.110 nan 8.300 nan 0.000 0.519 275 K N 1.129 121.735 120.400 0.343 0.000 2.169 275 K HA -0.249 4.073 4.320 0.004 0.000 0.213 275 K C 1.985 178.689 176.600 0.174 0.000 1.050 275 K CA 1.789 58.202 56.287 0.210 0.000 0.935 275 K CB -1.335 31.262 32.500 0.162 0.000 0.722 275 K HN 0.968 nan 8.250 nan 0.000 0.468 276 G N -1.201 107.719 108.800 0.199 0.000 2.551 276 G HA2 -0.030 3.932 3.960 0.004 0.000 0.216 276 G HA3 -0.030 3.932 3.960 0.004 0.000 0.216 276 G C 0.389 175.378 174.900 0.147 0.000 1.137 276 G CA 1.007 46.200 45.100 0.154 0.000 0.798 276 G HN 0.592 nan 8.290 nan 0.000 0.536 277 D N -1.170 119.342 120.400 0.186 0.000 2.439 277 D HA -0.133 4.509 4.640 0.004 0.000 0.172 277 D C 0.849 177.245 176.300 0.159 0.000 1.026 277 D CA 1.304 55.398 54.000 0.156 0.000 1.043 277 D CB -0.926 39.934 40.800 0.100 0.000 1.098 277 D HN 0.319 nan 8.370 nan 0.000 0.467 278 D N -0.121 120.376 120.400 0.163 0.000 2.348 278 D HA 0.164 4.807 4.640 0.004 0.000 0.211 278 D C 0.589 176.987 176.300 0.162 0.000 0.998 278 D CA 0.600 54.683 54.000 0.139 0.000 0.873 278 D CB 0.696 41.560 40.800 0.107 0.000 0.925 278 D HN 0.364 nan 8.370 nan 0.000 0.524 279 I N 0.791 121.508 120.570 0.245 0.000 2.436 279 I HA 0.178 4.350 4.170 0.004 0.000 0.289 279 I C -0.073 176.374 176.117 0.550 0.000 1.010 279 I CA -0.382 61.084 61.300 0.278 0.000 1.098 279 I CB 2.229 40.331 38.000 0.170 0.000 1.266 279 I HN -0.219 nan 8.210 nan 0.000 0.434 280 T N 3.217 118.051 114.554 0.466 0.000 2.864 280 T HA 0.602 4.955 4.350 0.004 0.000 0.299 280 T C -0.757 174.228 174.700 0.476 0.000 1.166 280 T CA -0.884 61.468 62.100 0.420 0.000 1.007 280 T CB 2.197 71.205 68.868 0.234 0.000 1.219 280 T HN 0.551 nan 8.240 nan 0.000 0.506 281 M N 2.614 122.434 119.600 0.366 0.000 2.268 281 M HA 0.667 5.150 4.480 0.004 0.000 0.344 281 M C -1.793 174.698 176.300 0.318 0.000 1.106 281 M CA -0.750 54.819 55.300 0.448 0.000 1.010 281 M CB 1.230 34.175 32.600 0.574 0.000 1.649 281 M HN 0.592 nan 8.290 nan 0.000 0.443 282 V N 6.649 126.769 119.914 0.342 0.000 2.448 282 V HA 0.470 4.592 4.120 0.004 0.000 0.295 282 V C -0.418 175.874 176.094 0.331 0.000 1.025 282 V CA -0.681 61.772 62.300 0.255 0.000 0.859 282 V CB 1.690 33.604 31.823 0.151 0.000 0.988 282 V HN 0.808 nan 8.190 nan 0.000 0.431 283 L N 6.101 127.460 121.223 0.226 0.000 2.317 283 L HA 0.646 4.988 4.340 0.004 0.000 0.281 283 L C -0.652 176.318 176.870 0.167 0.000 1.024 283 L CA -0.487 54.497 54.840 0.240 0.000 0.810 283 L CB 1.850 43.947 42.059 0.062 0.000 1.240 283 L HN 0.461 nan 8.230 nan 0.000 0.427 284 I N 4.552 125.273 120.570 0.252 0.000 2.410 284 I HA 0.339 4.511 4.170 0.004 0.000 0.286 284 I C -0.791 175.412 176.117 0.143 0.000 1.009 284 I CA -0.487 60.889 61.300 0.127 0.000 1.111 284 I CB 1.810 39.920 38.000 0.182 0.000 1.262 284 I HN 0.280 nan 8.210 nan 0.000 0.443 285 L N 8.150 129.391 121.223 0.030 0.000 2.322 285 L HA 0.615 4.957 4.340 0.004 0.000 0.281 285 L C -2.301 174.556 176.870 -0.022 0.000 1.014 285 L CA -1.689 53.179 54.840 0.048 0.000 0.815 285 L CB 1.507 43.570 42.059 0.005 0.000 1.247 285 L HN 0.261 nan 8.230 nan 0.000 0.421 286 P HA 0.177 nan 4.420 nan 0.000 0.278 286 P C -0.618 176.658 177.300 -0.041 0.000 1.266 286 P CA -0.796 62.288 63.100 -0.027 0.000 0.807 286 P CB 1.435 33.139 31.700 0.006 0.000 1.094 287 K N 1.400 121.772 120.400 -0.047 0.000 2.436 287 K HA 0.019 4.341 4.320 0.004 0.000 0.275 287 K C -1.543 175.029 176.600 -0.048 0.000 0.999 287 K CA -1.040 55.220 56.287 -0.045 0.000 0.980 287 K CB -0.140 32.337 32.500 -0.039 0.000 0.919 287 K HN 0.176 nan 8.250 nan 0.000 0.484 288 P HA -0.232 nan 4.420 nan 0.000 0.218 288 P C 0.874 178.123 177.300 -0.086 0.000 1.150 288 P CA 2.066 65.116 63.100 -0.084 0.000 0.841 288 P CB 0.233 31.889 31.700 -0.074 0.000 0.784 289 E N -0.907 119.260 120.200 -0.054 0.000 2.190 289 E HA 0.141 4.493 4.350 0.004 0.000 0.191 289 E C 1.315 177.893 176.600 -0.038 0.000 0.978 289 E CA 1.141 57.515 56.400 -0.043 0.000 0.839 289 E CB -0.989 28.696 29.700 -0.025 0.000 0.787 289 E HN 0.380 nan 8.360 nan 0.000 0.473 290 K N 1.184 121.565 120.400 -0.032 0.000 2.144 290 K HA 0.589 4.911 4.320 0.004 0.000 0.270 290 K C 0.502 177.090 176.600 -0.020 0.000 1.005 290 K CA -0.035 56.240 56.287 -0.020 0.000 0.932 290 K CB 0.836 33.330 32.500 -0.010 0.000 1.021 290 K HN 0.635 nan 8.250 nan 0.000 0.462 291 S N 0.779 116.472 115.700 -0.012 0.000 2.601 291 S HA 0.284 4.756 4.470 0.004 0.000 0.271 291 S C 1.051 175.661 174.600 0.015 0.000 1.305 291 S CA -0.516 57.680 58.200 -0.007 0.000 1.022 291 S CB 1.052 64.247 63.200 -0.010 0.000 0.940 291 S HN 0.728 nan 8.310 nan 0.000 0.525 292 L N 2.036 123.275 121.223 0.025 0.000 2.187 292 L HA 0.036 4.379 4.340 0.004 0.000 0.213 292 L C 2.469 179.380 176.870 0.070 0.000 1.100 292 L CA 2.100 56.975 54.840 0.059 0.000 0.765 292 L CB -1.449 40.649 42.059 0.065 0.000 0.904 292 L HN 0.965 nan 8.230 nan 0.000 0.437 293 A N -1.402 121.442 122.820 0.040 0.000 2.015 293 A HA -0.180 4.142 4.320 0.004 0.000 0.219 293 A C 2.285 179.894 177.584 0.042 0.000 1.163 293 A CA 1.465 53.521 52.037 0.032 0.000 0.646 293 A CB -0.357 18.642 19.000 -0.001 0.000 0.806 293 A HN 0.343 nan 8.150 nan 0.000 0.448 294 K N -0.425 120.000 120.400 0.042 0.000 2.062 294 K HA -0.007 4.315 4.320 0.004 0.000 0.205 294 K C 1.729 178.380 176.600 0.086 0.000 1.051 294 K CA 1.406 57.721 56.287 0.048 0.000 0.941 294 K CB -0.414 32.108 32.500 0.036 0.000 0.719 294 K HN 0.243 nan 8.250 nan 0.000 0.440 295 V N 1.162 121.142 119.914 0.110 0.000 2.515 295 V HA -0.192 3.931 4.120 0.004 0.000 0.250 295 V C 1.756 177.973 176.094 0.204 0.000 1.058 295 V CA 1.691 64.099 62.300 0.180 0.000 1.064 295 V CB -0.435 31.493 31.823 0.175 0.000 0.675 295 V HN 0.342 nan 8.190 nan 0.000 0.461 296 E N 0.862 121.165 120.200 0.172 0.000 2.107 296 E HA -0.230 4.122 4.350 0.004 0.000 0.191 296 E C 2.238 178.923 176.600 0.143 0.000 0.982 296 E CA 1.370 57.892 56.400 0.203 0.000 0.809 296 E CB -0.144 29.689 29.700 0.221 0.000 0.756 296 E HN 0.746 nan 8.360 nan 0.000 0.459 297 K N 1.127 121.579 120.400 0.087 0.000 2.217 297 K HA -0.086 4.236 4.320 0.004 0.000 0.202 297 K C 1.473 178.100 176.600 0.044 0.000 1.051 297 K CA 1.226 57.541 56.287 0.047 0.000 0.952 297 K CB 0.117 32.629 32.500 0.020 0.000 0.736 297 K HN -0.005 nan 8.250 nan 0.000 0.453 298 E N 0.693 120.933 120.200 0.066 0.000 2.435 298 E HA 0.003 4.355 4.350 0.004 0.000 0.195 298 E C -0.253 176.349 176.600 0.003 0.000 1.029 298 E CA -0.262 56.167 56.400 0.048 0.000 0.865 298 E CB 0.173 29.930 29.700 0.094 0.000 0.833 298 E HN 0.150 nan 8.360 nan 0.000 0.510 299 L N 2.276 123.520 121.223 0.034 0.000 2.597 299 L HA 0.037 4.379 4.340 0.004 0.000 0.271 299 L C 0.087 176.918 176.870 -0.064 0.000 1.157 299 L CA 0.743 55.569 54.840 -0.023 0.000 0.928 299 L CB 0.059 42.175 42.059 0.095 0.000 1.216 299 L HN -0.048 nan 8.230 nan 0.000 0.481 300 T N 1.870 116.327 114.554 -0.160 0.000 2.887 300 T HA 0.599 4.952 4.350 0.004 0.000 0.292 300 T C -2.212 172.388 174.700 -0.167 0.000 1.087 300 T CA -1.622 60.401 62.100 -0.128 0.000 1.009 300 T CB 1.746 70.540 68.868 -0.123 0.000 1.203 300 T HN 0.275 nan 8.240 nan 0.000 0.518 301 P HA 0.045 nan 4.420 nan 0.000 0.219 301 P C 0.960 178.159 177.300 -0.169 0.000 1.150 301 P CA 0.884 63.906 63.100 -0.131 0.000 0.814 301 P CB 0.116 31.757 31.700 -0.099 0.000 0.787 302 E N -0.747 119.354 120.200 -0.165 0.000 2.072 302 E HA -0.094 4.258 4.350 0.004 0.000 0.190 302 E C 2.022 178.469 176.600 -0.256 0.000 0.982 302 E CA 0.838 57.141 56.400 -0.162 0.000 0.803 302 E CB -1.313 28.315 29.700 -0.120 0.000 0.755 302 E HN -0.004 nan 8.360 nan 0.000 0.453 303 V N 1.243 120.938 119.914 -0.365 0.000 2.295 303 V HA -0.233 3.889 4.120 0.004 0.000 0.246 303 V C 2.295 177.816 176.094 -0.956 0.000 1.049 303 V CA 1.509 63.419 62.300 -0.651 0.000 1.024 303 V CB -0.503 30.889 31.823 -0.718 0.000 0.648 303 V HN 0.297 nan 8.190 nan 0.000 0.447 304 L N -0.197 120.588 121.223 -0.730 0.000 2.042 304 L HA -0.277 4.065 4.340 0.004 0.000 0.210 304 L C 2.664 179.357 176.870 -0.296 0.000 1.076 304 L CA 2.177 56.688 54.840 -0.548 0.000 0.749 304 L CB -0.275 41.571 42.059 -0.355 0.000 0.893 304 L HN 0.416 nan 8.230 nan 0.000 0.432 305 Q N 0.015 119.676 119.800 -0.232 0.000 2.119 305 Q HA -0.193 4.149 4.340 0.004 0.000 0.201 305 Q C 2.030 177.988 176.000 -0.070 0.000 0.972 305 Q CA 2.079 57.817 55.803 -0.109 0.000 0.847 305 Q CB -0.092 28.603 28.738 -0.072 0.000 0.903 305 Q HN 0.405 nan 8.270 nan 0.000 0.433 306 E N -0.836 119.284 120.200 -0.132 0.000 2.038 306 E HA -0.194 4.159 4.350 0.004 0.000 0.195 306 E C 1.648 178.304 176.600 0.094 0.000 1.000 306 E CA 1.325 57.697 56.400 -0.045 0.000 0.803 306 E CB -0.733 28.913 29.700 -0.091 0.000 0.750 306 E HN 0.631 nan 8.360 nan 0.000 0.448 307 W N 0.573 121.836 121.300 -0.062 0.000 2.315 307 W HA -0.075 4.588 4.660 0.005 0.000 0.323 307 W C 2.363 178.836 176.519 -0.076 0.000 1.233 307 W CA 0.729 58.026 57.345 -0.080 0.000 1.267 307 W CB -1.668 27.730 29.460 -0.104 0.000 1.160 307 W HN 0.262 nan 8.180 nan 0.000 0.474 308 L N -0.195 121.134 121.223 0.177 0.000 2.013 308 L HA -0.273 4.069 4.340 0.004 0.000 0.212 308 L C 2.209 179.118 176.870 0.066 0.000 1.073 308 L CA 1.738 56.629 54.840 0.084 0.000 0.753 308 L CB -1.166 40.917 42.059 0.040 0.000 0.890 308 L HN -0.086 nan 8.230 nan 0.000 0.432 309 D N 0.567 121.002 120.400 0.060 0.000 2.156 309 D HA -0.224 4.418 4.640 0.004 0.000 0.190 309 D C 1.417 177.744 176.300 0.046 0.000 0.998 309 D CA 1.621 55.649 54.000 0.047 0.000 0.842 309 D CB -0.269 40.554 40.800 0.039 0.000 0.974 309 D HN 0.535 nan 8.370 nan 0.000 0.447 310 E N 0.395 120.628 120.200 0.055 0.000 2.888 310 E HA 0.064 4.416 4.350 0.004 0.000 0.271 310 E C -0.469 176.144 176.600 0.022 0.000 1.527 310 E CA -0.215 56.209 56.400 0.039 0.000 1.700 310 E CB -0.323 29.404 29.700 0.045 0.000 1.410 310 E HN 0.085 nan 8.360 nan 0.000 0.445 311 L N 1.785 123.024 121.223 0.026 0.000 2.272 311 L HA 0.222 4.564 4.340 0.004 0.000 0.289 311 L C -0.493 176.396 176.870 0.032 0.000 1.032 311 L CA -0.459 54.391 54.840 0.017 0.000 0.810 311 L CB 1.661 43.739 42.059 0.031 0.000 1.205 311 L HN 0.028 nan 8.230 nan 0.000 0.422 312 E N 2.245 122.468 120.200 0.039 0.000 2.195 312 E HA 0.306 4.659 4.350 0.004 0.000 0.271 312 E C -0.652 175.992 176.600 0.073 0.000 0.923 312 E CA -0.864 55.565 56.400 0.048 0.000 0.790 312 E CB 2.246 31.971 29.700 0.042 0.000 1.155 312 E HN 0.600 nan 8.360 nan 0.000 0.402 313 E N 1.954 122.186 120.200 0.053 0.000 2.331 313 E HA 0.450 4.802 4.350 0.004 0.000 0.272 313 E C -0.200 176.427 176.600 0.046 0.000 1.036 313 E CA -0.108 56.323 56.400 0.051 0.000 0.864 313 E CB 0.488 30.196 29.700 0.012 0.000 1.035 313 E HN 0.573 nan 8.360 nan 0.000 0.408 314 M N 1.608 121.240 119.600 0.052 0.000 2.833 314 M HA 0.326 4.808 4.480 0.004 0.000 0.270 314 M C -1.358 174.953 176.300 0.018 0.000 1.209 314 M CA -1.045 54.273 55.300 0.030 0.000 0.826 314 M CB 1.310 33.935 32.600 0.042 0.000 1.657 314 M HN 0.397 nan 8.290 nan 0.000 0.492 315 M N 3.281 122.877 119.600 -0.007 0.000 2.194 315 M HA 0.577 5.059 4.480 0.004 0.000 0.347 315 M C -1.445 174.828 176.300 -0.044 0.000 1.439 315 M CA -0.091 55.200 55.300 -0.015 0.000 1.131 315 M CB 0.315 32.900 32.600 -0.025 0.000 1.733 315 M HN 0.609 nan 8.290 nan 0.000 0.467 316 L N 3.927 125.126 121.223 -0.041 0.000 2.600 316 L HA 0.825 5.167 4.340 0.004 0.000 0.257 316 L C -1.489 175.263 176.870 -0.197 0.000 1.048 316 L CA -1.054 53.693 54.840 -0.155 0.000 0.869 316 L CB 1.392 43.276 42.059 -0.292 0.000 1.482 316 L HN 0.316 nan 8.230 nan 0.000 0.408 317 V N 2.279 122.025 119.914 -0.280 0.000 2.350 317 V HA 0.745 4.867 4.120 0.004 0.000 0.276 317 V C -0.325 175.505 176.094 -0.441 0.000 1.028 317 V CA -0.253 61.816 62.300 -0.385 0.000 0.860 317 V CB 1.309 32.939 31.823 -0.322 0.000 0.990 317 V HN 1.167 nan 8.190 nan 0.000 0.453 318 V N 4.643 124.230 119.914 -0.544 0.000 2.432 318 V HA 0.586 4.708 4.120 0.004 0.000 0.275 318 V C -0.157 175.824 176.094 -0.188 0.000 1.043 318 V CA -0.243 61.789 62.300 -0.446 0.000 0.925 318 V CB 1.052 32.456 31.823 -0.697 0.000 0.985 318 V HN 1.049 nan 8.190 nan 0.000 0.466 319 H N 7.416 126.369 119.070 -0.196 0.000 2.991 319 H HA 0.637 5.195 4.556 0.004 0.000 0.304 319 H C -0.771 174.510 175.328 -0.077 0.000 1.040 319 H CA -0.645 55.371 56.048 -0.053 0.000 1.410 319 H CB 1.421 31.193 29.762 0.017 0.000 1.529 319 H HN 0.976 nan 8.280 nan 0.000 0.509 320 M N 4.275 123.768 119.600 -0.177 0.000 2.550 320 M HA 0.628 5.110 4.480 0.004 0.000 0.292 320 M C -3.284 172.919 176.300 -0.161 0.000 1.221 320 M CA -2.187 52.972 55.300 -0.236 0.000 0.873 320 M CB 3.327 35.797 32.600 -0.218 0.000 1.727 320 M HN 0.141 nan 8.290 nan 0.000 0.459 321 P HA 0.248 nan 4.420 nan 0.000 0.275 321 P C -1.510 175.958 177.300 0.281 0.000 1.228 321 P CA -0.219 62.939 63.100 0.096 0.000 0.786 321 P CB 0.577 32.333 31.700 0.092 0.000 0.927 322 R N 2.636 123.241 120.500 0.174 0.000 2.368 322 R HA 0.772 5.114 4.340 0.004 0.000 0.302 322 R C -0.329 176.118 176.300 0.245 0.000 1.002 322 R CA -0.534 55.638 56.100 0.120 0.000 0.929 322 R CB 0.517 30.814 30.300 -0.005 0.000 1.073 322 R HN 0.502 nan 8.270 nan 0.000 0.464 323 F N -1.173 118.749 119.950 -0.047 0.000 2.926 323 F HA 0.570 5.099 4.527 0.003 0.000 0.321 323 F C -1.815 173.932 175.800 -0.087 0.000 1.168 323 F CA -1.604 56.350 58.000 -0.077 0.000 0.890 323 F CB 1.156 40.093 39.000 -0.104 0.000 1.357 323 F HN 0.725 nan 8.300 nan 0.000 0.468 324 R N 1.779 122.289 120.500 0.016 0.000 2.584 324 R HA 0.873 5.215 4.340 0.004 0.000 0.276 324 R C -2.024 174.302 176.300 0.044 0.000 1.046 324 R CA -0.814 55.221 56.100 -0.108 0.000 0.906 324 R CB 2.474 32.708 30.300 -0.111 0.000 1.215 324 R HN 1.169 nan 8.270 nan 0.000 0.449 325 I N -1.217 119.341 120.570 -0.021 0.000 2.619 325 I HA 0.590 4.762 4.170 0.004 0.000 0.292 325 I C -1.244 174.862 176.117 -0.018 0.000 1.100 325 I CA -0.952 60.352 61.300 0.007 0.000 1.043 325 I CB 2.770 40.796 38.000 0.042 0.000 1.239 325 I HN 0.727 nan 8.210 nan 0.000 0.420 326 E N 3.551 123.776 120.200 0.042 0.000 2.222 326 E HA 0.541 4.893 4.350 0.004 0.000 0.267 326 E C -1.660 175.017 176.600 0.128 0.000 0.884 326 E CA -0.664 55.786 56.400 0.083 0.000 0.764 326 E CB 2.693 32.424 29.700 0.052 0.000 1.169 326 E HN 0.651 nan 8.360 nan 0.000 0.413 327 D N 0.636 121.147 120.400 0.185 0.000 2.596 327 D HA 0.707 5.349 4.640 0.004 0.000 0.234 327 D C -1.198 175.187 176.300 0.141 0.000 1.181 327 D CA -0.467 53.653 54.000 0.200 0.000 0.856 327 D CB 2.101 43.080 40.800 0.299 0.000 1.498 327 D HN 0.526 nan 8.370 nan 0.000 0.446 328 G N -0.012 108.874 108.800 0.142 0.000 2.632 328 G HA2 0.658 4.620 3.960 0.004 0.000 0.292 328 G HA3 0.658 4.620 3.960 0.004 0.000 0.292 328 G C -1.708 173.265 174.900 0.122 0.000 1.465 328 G CA -0.725 44.355 45.100 -0.035 0.000 0.824 328 G HN 0.635 nan 8.290 nan 0.000 0.509 329 F N -1.420 118.601 119.950 0.118 0.000 2.769 329 F HA 0.765 5.294 4.527 0.003 0.000 0.313 329 F C -0.459 175.422 175.800 0.134 0.000 1.146 329 F CA -1.321 56.747 58.000 0.112 0.000 0.934 329 F CB 1.274 40.342 39.000 0.113 0.000 1.283 329 F HN 0.668 nan 8.300 nan 0.000 0.443 330 S N 1.502 117.443 115.700 0.401 0.000 2.474 330 S HA 0.428 4.900 4.470 0.004 0.000 0.276 330 S C 0.633 175.484 174.600 0.418 0.000 1.227 330 S CA -0.587 57.796 58.200 0.305 0.000 1.050 330 S CB 0.423 63.743 63.200 0.199 0.000 0.939 330 S HN 0.752 nan 8.310 nan 0.000 0.490 331 L N 5.086 126.553 121.223 0.407 0.000 2.109 331 L HA 0.012 4.354 4.340 0.004 0.000 0.207 331 L C 2.626 179.670 176.870 0.290 0.000 1.086 331 L CA 1.092 56.188 54.840 0.426 0.000 0.760 331 L CB -0.350 41.962 42.059 0.421 0.000 0.910 331 L HN 0.714 nan 8.230 nan 0.000 0.437 332 K N 0.553 121.104 120.400 0.252 0.000 2.032 332 K HA -0.281 4.041 4.320 0.004 0.000 0.209 332 K C 2.043 178.725 176.600 0.138 0.000 1.048 332 K CA 1.944 58.341 56.287 0.182 0.000 0.927 332 K CB -0.057 32.533 32.500 0.150 0.000 0.712 332 K HN 0.314 nan 8.250 nan 0.000 0.441 333 E N -0.166 120.122 120.200 0.147 0.000 2.031 333 E HA -0.216 4.137 4.350 0.004 0.000 0.193 333 E C 2.157 178.822 176.600 0.107 0.000 0.994 333 E CA 1.148 57.616 56.400 0.114 0.000 0.800 333 E CB 0.110 29.880 29.700 0.116 0.000 0.752 333 E HN 0.329 nan 8.360 nan 0.000 0.447 334 Q N 0.395 120.282 119.800 0.146 0.000 2.084 334 Q HA -0.124 4.218 4.340 0.004 0.000 0.202 334 Q C 2.494 178.487 176.000 -0.012 0.000 0.978 334 Q CA 0.966 56.831 55.803 0.104 0.000 0.844 334 Q CB -0.331 28.482 28.738 0.125 0.000 0.898 334 Q HN 0.416 nan 8.270 nan 0.000 0.426 335 L N 0.621 121.894 121.223 0.083 0.000 2.046 335 L HA -0.206 4.136 4.340 0.004 0.000 0.208 335 L C 2.168 178.983 176.870 -0.092 0.000 1.077 335 L CA 1.295 56.122 54.840 -0.022 0.000 0.747 335 L CB -0.415 41.622 42.059 -0.038 0.000 0.896 335 L HN 0.284 nan 8.230 nan 0.000 0.432 336 Q N -0.674 119.109 119.800 -0.027 0.000 2.444 336 Q HA -0.074 4.268 4.340 0.004 0.000 0.206 336 Q C 0.168 176.158 176.000 -0.017 0.000 0.948 336 Q CA 0.332 56.122 55.803 -0.020 0.000 0.946 336 Q CB 0.148 28.895 28.738 0.015 0.000 1.027 336 Q HN 0.395 nan 8.270 nan 0.000 0.513 337 D N 0.215 120.599 120.400 -0.026 0.000 2.427 337 D HA 0.118 4.760 4.640 0.004 0.000 0.224 337 D C -0.163 176.212 176.300 0.125 0.000 1.157 337 D CA 0.208 54.250 54.000 0.070 0.000 0.828 337 D CB 0.305 41.201 40.800 0.160 0.000 0.974 337 D HN 0.206 nan 8.370 nan 0.000 0.498 338 M N 0.621 120.179 119.600 -0.070 0.000 3.266 338 M HA 0.360 4.843 4.480 0.004 0.000 0.260 338 M C 0.846 177.146 176.300 0.001 0.000 1.319 338 M CA -0.444 54.821 55.300 -0.057 0.000 1.412 338 M CB 1.311 33.767 32.600 -0.241 0.000 1.113 338 M HN -0.110 nan 8.290 nan 0.000 0.588 339 G N 1.055 109.884 108.800 0.049 0.000 3.194 339 G HA2 0.510 4.473 3.960 0.004 0.000 0.160 339 G HA3 0.510 4.473 3.960 0.004 0.000 0.160 339 G C -0.399 174.538 174.900 0.062 0.000 1.267 339 G CA -0.701 44.425 45.100 0.044 0.000 0.962 339 G HN 0.421 nan 8.290 nan 0.000 0.612 340 L N 1.879 123.158 121.223 0.094 0.000 2.536 340 L HA 0.167 4.510 4.340 0.004 0.000 0.282 340 L C 1.245 178.227 176.870 0.186 0.000 1.174 340 L CA -0.167 54.735 54.840 0.103 0.000 0.989 340 L CB 0.861 43.010 42.059 0.149 0.000 1.311 340 L HN 0.267 nan 8.230 nan 0.000 0.455 341 V N 2.931 122.904 119.914 0.098 0.000 2.602 341 V HA -0.091 4.031 4.120 0.004 0.000 0.235 341 V C 1.573 177.704 176.094 0.063 0.000 1.087 341 V CA 1.231 63.597 62.300 0.110 0.000 1.117 341 V CB 0.510 32.360 31.823 0.045 0.000 0.820 341 V HN 0.708 nan 8.190 nan 0.000 0.490 342 D N 0.606 121.002 120.400 -0.008 0.000 2.127 342 D HA -0.248 4.395 4.640 0.004 0.000 0.190 342 D C 1.905 178.165 176.300 -0.067 0.000 1.000 342 D CA 2.136 56.115 54.000 -0.034 0.000 0.839 342 D CB -0.521 40.252 40.800 -0.044 0.000 0.955 342 D HN 0.389 nan 8.370 nan 0.000 0.446 343 L N -0.489 120.623 121.223 -0.185 0.000 2.197 343 L HA -0.160 4.182 4.340 0.004 0.000 0.215 343 L C 1.182 177.869 176.870 -0.305 0.000 1.095 343 L CA 1.554 56.205 54.840 -0.314 0.000 0.764 343 L CB -0.327 41.406 42.059 -0.543 0.000 0.897 343 L HN 0.003 nan 8.230 nan 0.000 0.436 344 F N -1.824 118.156 119.950 0.050 0.000 2.727 344 F HA 0.316 4.845 4.527 0.004 0.000 0.302 344 F C 1.257 177.107 175.800 0.083 0.000 1.097 344 F CA -0.095 57.958 58.000 0.089 0.000 1.330 344 F CB -0.376 38.641 39.000 0.027 0.000 1.084 344 F HN -0.006 nan 8.300 nan 0.000 0.578 345 S N 0.773 116.554 115.700 0.136 0.000 2.433 345 S HA 0.332 4.804 4.470 0.004 0.000 0.310 345 S C -1.773 172.741 174.600 -0.143 0.000 1.097 345 S CA -1.624 56.565 58.200 -0.019 0.000 1.103 345 S CB 1.317 64.498 63.200 -0.031 0.000 0.992 345 S HN -0.163 nan 8.310 nan 0.000 0.469 346 P HA -0.054 nan 4.420 nan 0.000 0.215 346 P C 1.614 178.789 177.300 -0.208 0.000 1.153 346 P CA 1.958 64.710 63.100 -0.580 0.000 0.853 346 P CB 0.122 31.383 31.700 -0.733 0.000 0.788 347 E N 0.714 120.820 120.200 -0.156 0.000 2.028 347 E HA -0.174 4.178 4.350 0.004 0.000 0.190 347 E C 1.846 178.416 176.600 -0.050 0.000 0.984 347 E CA 1.437 57.787 56.400 -0.084 0.000 0.800 347 E CB -1.372 28.283 29.700 -0.075 0.000 0.758 347 E HN 0.338 nan 8.360 nan 0.000 0.448 348 K N 0.419 120.789 120.400 -0.050 0.000 2.296 348 K HA 0.103 4.425 4.320 0.004 0.000 0.200 348 K C 1.333 177.921 176.600 -0.020 0.000 1.048 348 K CA 0.419 56.687 56.287 -0.031 0.000 0.966 348 K CB 0.164 32.643 32.500 -0.036 0.000 0.754 348 K HN 0.232 nan 8.250 nan 0.000 0.466 349 S N 1.623 117.318 115.700 -0.009 0.000 2.552 349 S HA 0.006 4.478 4.470 0.004 0.000 0.289 349 S C -0.253 174.350 174.600 0.005 0.000 1.304 349 S CA 0.074 58.277 58.200 0.005 0.000 1.063 349 S CB 0.303 63.544 63.200 0.068 0.000 0.848 349 S HN -0.009 nan 8.310 nan 0.000 0.499 350 K N 5.469 125.862 120.400 -0.011 0.000 2.527 350 K HA 0.358 4.680 4.320 0.004 0.000 0.240 350 K C -0.992 175.600 176.600 -0.014 0.000 0.989 350 K CA -0.122 56.160 56.287 -0.009 0.000 0.985 350 K CB 0.948 33.439 32.500 -0.014 0.000 1.221 350 K HN 0.612 nan 8.250 nan 0.000 0.458 351 L N 4.414 125.634 121.223 -0.005 0.000 2.839 351 L HA 0.224 4.566 4.340 0.004 0.000 0.259 351 L C -1.219 175.647 176.870 -0.005 0.000 1.369 351 L CA -1.080 53.753 54.840 -0.012 0.000 0.845 351 L CB 1.195 43.244 42.059 -0.017 0.000 1.181 351 L HN 0.195 nan 8.230 nan 0.000 0.529 352 P HA -0.115 nan 4.420 nan 0.000 0.222 352 P C 1.390 178.688 177.300 -0.003 0.000 1.147 352 P CA 1.087 64.186 63.100 -0.001 0.000 0.790 352 P CB 0.397 32.096 31.700 -0.001 0.000 0.780 353 G N -0.076 108.720 108.800 -0.007 0.000 2.572 353 G HA2 -0.074 3.888 3.960 0.004 0.000 0.216 353 G HA3 -0.074 3.888 3.960 0.004 0.000 0.216 353 G C 1.569 176.465 174.900 -0.007 0.000 1.133 353 G CA 0.054 45.150 45.100 -0.007 0.000 0.791 353 G HN 0.240 nan 8.290 nan 0.000 0.538 354 I N 0.357 120.922 120.570 -0.008 0.000 2.162 354 I HA -0.022 4.150 4.170 0.004 0.000 0.238 354 I C 0.957 177.070 176.117 -0.005 0.000 1.076 354 I CA 0.399 61.694 61.300 -0.009 0.000 1.353 354 I CB -0.378 37.615 38.000 -0.013 0.000 1.063 354 I HN -0.136 nan 8.210 nan 0.000 0.408 355 V N 0.930 120.842 119.914 -0.003 0.000 2.743 355 V HA 0.311 4.433 4.120 0.004 0.000 0.301 355 V C 1.386 177.481 176.094 0.001 0.000 1.057 355 V CA 0.089 62.389 62.300 -0.000 0.000 1.006 355 V CB 1.268 33.092 31.823 0.002 0.000 1.024 355 V HN 0.422 nan 8.190 nan 0.000 0.473 356 A N 2.818 125.639 122.820 0.001 0.000 1.913 356 A HA -0.282 4.041 4.320 0.004 0.000 0.236 356 A C 1.173 178.759 177.584 0.002 0.000 1.760 356 A CA 2.757 54.795 52.037 0.002 0.000 0.740 356 A CB -0.503 18.498 19.000 0.003 0.000 0.847 356 A HN 0.930 nan 8.150 nan 0.000 0.508 357 E N -3.181 117.021 120.200 0.003 0.000 4.090 357 E HA 0.428 4.780 4.350 0.004 0.000 0.235 357 E C 0.361 176.964 176.600 0.005 0.000 1.187 357 E CA 0.310 56.712 56.400 0.004 0.000 1.308 357 E CB 0.329 30.031 29.700 0.004 0.000 1.222 357 E HN 1.071 nan 8.360 nan 0.000 0.414 358 G N 2.115 110.918 108.800 0.004 0.000 2.179 358 G HA2 -0.396 3.566 3.960 0.004 0.000 0.260 358 G HA3 -0.396 3.566 3.960 0.004 0.000 0.260 358 G C 0.538 175.442 174.900 0.008 0.000 0.977 358 G CA 0.207 45.310 45.100 0.005 0.000 0.641 358 G HN 0.388 nan 8.290 nan 0.000 0.533 359 R N 1.051 121.557 120.500 0.009 0.000 2.936 359 R HA 0.099 4.441 4.340 0.004 0.000 0.361 359 R C 0.576 176.887 176.300 0.018 0.000 0.873 359 R CA 0.990 57.098 56.100 0.014 0.000 1.041 359 R CB -0.192 30.116 30.300 0.014 0.000 0.924 359 R HN 0.349 nan 8.270 nan 0.000 0.401 360 D N 3.173 123.585 120.400 0.020 0.000 2.722 360 D HA -0.058 4.584 4.640 0.004 0.000 0.239 360 D C -0.090 176.235 176.300 0.041 0.000 1.249 360 D CA -0.357 53.658 54.000 0.025 0.000 0.830 360 D CB 0.395 41.204 40.800 0.016 0.000 1.025 360 D HN 0.670 nan 8.370 nan 0.000 0.486 361 D N -0.004 120.429 120.400 0.055 0.000 2.342 361 D HA 0.009 4.651 4.640 0.004 0.000 0.221 361 D C 0.395 176.795 176.300 0.167 0.000 1.101 361 D CA -0.366 53.684 54.000 0.083 0.000 0.837 361 D CB 0.222 41.062 40.800 0.068 0.000 0.938 361 D HN 0.264 nan 8.370 nan 0.000 0.508 362 L N 1.181 122.481 121.223 0.128 0.000 2.371 362 L HA 0.370 4.712 4.340 0.004 0.000 0.272 362 L C -0.513 176.475 176.870 0.197 0.000 1.124 362 L CA -0.840 54.072 54.840 0.119 0.000 0.816 362 L CB 0.512 42.588 42.059 0.028 0.000 1.129 362 L HN 0.077 nan 8.230 nan 0.000 0.448 363 Y N -0.016 120.277 120.300 -0.012 0.000 2.604 363 Y HA 0.493 5.045 4.550 0.003 0.000 0.331 363 Y C -1.095 174.804 175.900 -0.001 0.000 1.158 363 Y CA -1.484 56.604 58.100 -0.021 0.000 1.056 363 Y CB 0.625 39.085 38.460 -0.001 0.000 1.330 363 Y HN 0.103 nan 8.280 nan 0.000 0.457 364 V N 3.594 123.466 119.914 -0.069 0.000 2.439 364 V HA 0.102 4.225 4.120 0.004 0.000 0.271 364 V C 1.119 177.251 176.094 0.065 0.000 1.040 364 V CA 0.833 63.086 62.300 -0.078 0.000 1.002 364 V CB 0.510 32.305 31.823 -0.047 0.000 1.000 364 V HN 1.019 nan 8.190 nan 0.000 0.477 365 S N 2.436 118.031 115.700 -0.175 0.000 2.436 365 S HA 0.022 4.494 4.470 0.004 0.000 0.228 365 S C 0.485 175.126 174.600 0.068 0.000 1.014 365 S CA 0.556 58.758 58.200 0.002 0.000 0.950 365 S CB 0.122 63.268 63.200 -0.091 0.000 0.784 365 S HN 0.799 nan 8.310 nan 0.000 0.504 366 D N -1.100 119.305 120.400 0.008 0.000 2.884 366 D HA 0.574 5.216 4.640 0.004 0.000 0.255 366 D C -1.926 174.181 176.300 -0.322 0.000 1.142 366 D CA 0.120 54.004 54.000 -0.193 0.000 0.726 366 D CB 1.333 41.975 40.800 -0.264 0.000 1.436 366 D HN 0.369 nan 8.370 nan 0.000 0.441 367 A N 1.446 123.930 122.820 -0.560 0.000 2.449 367 A HA 0.809 5.131 4.320 0.004 0.000 0.302 367 A C -1.509 175.652 177.584 -0.705 0.000 1.048 367 A CA -0.536 51.251 52.037 -0.417 0.000 0.708 367 A CB 0.805 19.776 19.000 -0.049 0.000 1.274 367 A HN 0.258 nan 8.150 nan 0.000 0.410 368 F N -0.057 119.941 119.950 0.080 0.000 2.618 368 F HA 0.738 5.268 4.527 0.004 0.000 0.332 368 F C 0.114 176.004 175.800 0.149 0.000 1.061 368 F CA -0.407 57.645 58.000 0.086 0.000 0.974 368 F CB 2.043 41.073 39.000 0.050 0.000 1.310 368 F HN 0.743 nan 8.300 nan 0.000 0.491 369 H N 0.615 119.815 119.070 0.217 0.000 2.865 369 H HA 0.582 5.141 4.556 0.004 0.000 0.362 369 H C -1.656 173.742 175.328 0.117 0.000 1.114 369 H CA -0.918 55.208 56.048 0.130 0.000 1.208 369 H CB 1.732 31.544 29.762 0.084 0.000 1.727 369 H HN 0.498 nan 8.280 nan 0.000 0.534 370 K N 2.744 122.936 120.400 -0.346 0.000 2.427 370 K HA 0.875 5.197 4.320 0.004 0.000 0.252 370 K C -1.757 174.647 176.600 -0.326 0.000 0.931 370 K CA -0.343 55.819 56.287 -0.209 0.000 0.793 370 K CB 1.889 34.334 32.500 -0.091 0.000 1.211 370 K HN 0.686 nan 8.250 nan 0.000 0.426 371 A N 2.609 125.350 122.820 -0.130 0.000 2.556 371 A HA 0.830 5.152 4.320 0.004 0.000 0.294 371 A C -1.981 175.679 177.584 0.127 0.000 1.091 371 A CA -0.641 51.377 52.037 -0.032 0.000 0.704 371 A CB 0.964 19.961 19.000 -0.006 0.000 1.300 371 A HN 0.603 nan 8.150 nan 0.000 0.406 372 F N 0.896 120.826 119.950 -0.033 0.000 2.581 372 F HA 0.730 5.259 4.527 0.003 0.000 0.311 372 F C -1.920 173.877 175.800 -0.005 0.000 1.113 372 F CA -0.985 57.005 58.000 -0.017 0.000 0.935 372 F CB 1.926 40.913 39.000 -0.022 0.000 1.232 372 F HN 0.614 nan 8.300 nan 0.000 0.445 373 L N 5.165 126.030 121.223 -0.596 0.000 2.438 373 L HA 0.615 4.958 4.340 0.004 0.000 0.270 373 L C -1.654 174.849 176.870 -0.611 0.000 0.972 373 L CA -0.162 54.430 54.840 -0.413 0.000 0.831 373 L CB 1.953 43.901 42.059 -0.186 0.000 1.273 373 L HN 0.766 nan 8.230 nan 0.000 0.405 374 E N 3.499 123.496 120.200 -0.338 0.000 2.256 374 E HA 0.735 5.087 4.350 0.004 0.000 0.268 374 E C -1.990 174.569 176.600 -0.069 0.000 0.877 374 E CA -0.691 55.581 56.400 -0.213 0.000 0.757 374 E CB 2.117 31.773 29.700 -0.073 0.000 1.183 374 E HN 0.485 nan 8.360 nan 0.000 0.418 375 V N 5.005 124.882 119.914 -0.061 0.000 2.577 375 V HA 0.511 4.633 4.120 0.004 0.000 0.303 375 V C -0.559 175.524 176.094 -0.017 0.000 1.042 375 V CA -0.723 61.560 62.300 -0.029 0.000 0.872 375 V CB 1.460 33.263 31.823 -0.033 0.000 0.998 375 V HN 0.854 nan 8.190 nan 0.000 0.423 376 N N 2.709 121.408 118.700 -0.003 0.000 3.418 376 N HA 0.369 5.111 4.740 0.004 0.000 0.316 376 N C 0.394 175.906 175.510 0.004 0.000 1.601 376 N CA -0.820 52.231 53.050 0.001 0.000 0.805 376 N CB 0.861 39.353 38.487 0.008 0.000 1.873 376 N HN 0.213 nan 8.380 nan 0.000 0.615 377 E N -0.312 119.891 120.200 0.005 0.000 2.153 377 E HA -0.092 4.260 4.350 0.004 0.000 0.194 377 E C 0.696 177.301 176.600 0.007 0.000 0.988 377 E CA 1.495 57.898 56.400 0.005 0.000 0.811 377 E CB -0.081 29.622 29.700 0.005 0.000 0.746 377 E HN 0.620 nan 8.360 nan 0.000 0.466 378 E N -0.877 119.328 120.200 0.010 0.000 2.230 378 E HA 0.229 4.581 4.350 0.004 0.000 0.192 378 E C 0.810 177.418 176.600 0.013 0.000 0.987 378 E CA 0.753 57.160 56.400 0.011 0.000 0.841 378 E CB 0.626 30.334 29.700 0.013 0.000 0.783 378 E HN 0.238 nan 8.360 nan 0.000 0.481 379 G N -0.705 108.103 108.800 0.014 0.000 2.452 379 G HA2 0.334 4.296 3.960 0.004 0.000 0.224 379 G HA3 0.334 4.296 3.960 0.004 0.000 0.224 379 G C -1.233 173.677 174.900 0.018 0.000 1.208 379 G CA -0.243 44.866 45.100 0.015 0.000 0.946 379 G HN 0.312 nan 8.290 nan 0.000 0.481 380 S N -1.077 114.638 115.700 0.024 0.000 2.556 380 S HA 0.767 5.239 4.470 0.004 0.000 0.271 380 S C -1.262 173.369 174.600 0.051 0.000 1.135 380 S CA -0.202 58.015 58.200 0.028 0.000 0.858 380 S CB 2.615 65.824 63.200 0.015 0.000 1.114 380 S HN 1.034 nan 8.310 nan 0.000 0.468 381 E N 0.700 120.949 120.200 0.081 0.000 2.234 381 E HA 0.683 5.035 4.350 0.004 0.000 0.266 381 E C -1.312 175.399 176.600 0.185 0.000 0.877 381 E CA -1.067 55.413 56.400 0.134 0.000 0.758 381 E CB 1.849 31.659 29.700 0.184 0.000 1.170 381 E HN 1.029 nan 8.360 nan 0.000 0.415 382 A N 2.715 125.635 122.820 0.168 0.000 2.422 382 A HA 0.864 5.187 4.320 0.004 0.000 0.302 382 A C -1.376 176.309 177.584 0.169 0.000 1.041 382 A CA -0.142 52.007 52.037 0.187 0.000 0.708 382 A CB 1.750 20.809 19.000 0.099 0.000 1.257 382 A HN 0.662 nan 8.150 nan 0.000 0.414 383 A N 0.577 123.522 122.820 0.208 0.000 2.515 383 A HA 1.067 5.389 4.320 0.004 0.000 0.296 383 A C -0.381 177.248 177.584 0.075 0.000 1.094 383 A CA -0.113 51.984 52.037 0.099 0.000 0.718 383 A CB 1.595 20.605 19.000 0.017 0.000 1.307 383 A HN 2.709 nan 8.150 nan 0.000 0.408 384 A N -0.247 122.583 122.820 0.018 0.000 2.599 384 A HA 0.852 5.174 4.320 0.004 0.000 0.294 384 A C -0.708 176.844 177.584 -0.053 0.000 1.055 384 A CA 0.266 52.274 52.037 -0.049 0.000 0.683 384 A CB 0.996 20.002 19.000 0.009 0.000 1.278 384 A HN 2.235 nan 8.150 nan 0.000 0.412 385 S N -0.296 115.322 115.700 -0.137 0.000 2.536 385 S HA 0.819 5.291 4.470 0.004 0.000 0.271 385 S C -1.088 173.532 174.600 0.032 0.000 1.134 385 S CA -0.088 58.095 58.200 -0.029 0.000 0.897 385 S CB 1.775 64.960 63.200 -0.025 0.000 1.094 385 S HN 1.151 nan 8.310 nan 0.000 0.473 386 T N 3.035 117.675 114.554 0.143 0.000 2.841 386 T HA 0.758 5.110 4.350 0.004 0.000 0.285 386 T C -0.740 174.050 174.700 0.151 0.000 0.991 386 T CA -0.443 61.792 62.100 0.225 0.000 0.966 386 T CB 1.445 70.459 68.868 0.243 0.000 0.962 386 T HN 0.917 nan 8.240 nan 0.000 0.438 387 A N 3.026 125.954 122.820 0.179 0.000 2.311 387 A HA 0.716 5.038 4.320 0.004 0.000 0.306 387 A C -0.459 177.209 177.584 0.140 0.000 1.189 387 A CA -0.612 51.524 52.037 0.165 0.000 0.791 387 A CB 0.753 19.887 19.000 0.223 0.000 1.172 387 A HN 0.677 nan 8.150 nan 0.000 0.481 388 V N 3.651 123.615 119.914 0.083 0.000 2.350 388 V HA 0.272 4.394 4.120 0.004 0.000 0.276 388 V C -0.163 175.954 176.094 0.039 0.000 1.028 388 V CA -0.354 61.973 62.300 0.044 0.000 0.860 388 V CB 1.395 33.227 31.823 0.016 0.000 0.990 388 V HN 0.591 nan 8.190 nan 0.000 0.453 389 V N 7.322 127.256 119.914 0.034 0.000 2.277 389 V HA 0.395 4.517 4.120 0.004 0.000 0.269 389 V C 0.178 176.237 176.094 -0.060 0.000 1.036 389 V CA -0.235 62.080 62.300 0.024 0.000 0.821 389 V CB 0.773 32.655 31.823 0.098 0.000 1.052 389 V HN 0.648 nan 8.190 nan 0.000 0.462 390 I N 4.050 124.568 120.570 -0.085 0.000 2.428 390 I HA 0.663 4.835 4.170 0.004 0.000 0.289 390 I C 0.570 176.562 176.117 -0.209 0.000 1.019 390 I CA 0.168 61.368 61.300 -0.167 0.000 1.351 390 I CB 1.414 39.347 38.000 -0.111 0.000 1.412 390 I HN 0.647 nan 8.210 nan 0.000 0.513 391 A N 4.385 126.965 122.820 -0.400 0.000 2.515 391 A HA 0.853 5.176 4.320 0.004 0.000 0.296 391 A C -0.364 177.072 177.584 -0.246 0.000 1.094 391 A CA -0.570 51.277 52.037 -0.317 0.000 0.718 391 A CB 1.601 20.402 19.000 -0.331 0.000 1.307 391 A HN 0.757 nan 8.150 nan 0.000 0.408 392 G N -0.538 108.251 108.800 -0.019 0.000 2.400 392 G HA2 0.599 4.561 3.960 0.004 0.000 0.333 392 G HA3 0.599 4.561 3.960 0.004 0.000 0.333 392 G C -0.201 174.827 174.900 0.213 0.000 1.143 392 G CA -0.288 44.882 45.100 0.116 0.000 0.914 392 G HN 0.993 nan 8.290 nan 0.000 0.480 393 R N 0.081 120.738 120.500 0.262 0.000 2.936 393 R HA 0.744 5.086 4.340 0.004 0.000 0.095 393 R C -0.448 175.899 176.300 0.078 0.000 0.565 393 R CA 0.166 56.377 56.100 0.185 0.000 0.363 393 R CB 0.777 31.221 30.300 0.240 0.000 0.398 393 R HN 0.822 nan 8.270 nan 0.000 0.321 394 S N -2.227 113.484 115.700 0.018 0.000 2.690 394 S HA 0.538 5.010 4.470 0.004 0.000 0.264 394 S C -1.981 172.595 174.600 -0.040 0.000 1.040 394 S CA -0.171 58.026 58.200 -0.006 0.000 0.869 394 S CB 0.457 63.663 63.200 0.010 0.000 1.132 394 S HN 0.721 nan 8.310 nan 0.000 0.474 395 L N 1.229 122.432 121.223 -0.033 0.000 2.362 395 L HA 0.975 5.318 4.340 0.004 0.000 0.275 395 L C 0.402 177.259 176.870 -0.022 0.000 0.998 395 L CA -0.273 54.543 54.840 -0.040 0.000 0.820 395 L CB -0.103 41.932 42.059 -0.040 0.000 1.270 395 L HN 1.355 nan 8.230 nan 0.000 0.415 396 N N 2.809 121.497 118.700 -0.020 0.000 2.416 396 N HA 0.561 5.303 4.740 0.004 0.000 0.246 396 N C -1.444 174.060 175.510 -0.009 0.000 1.260 396 N CA -0.487 52.557 53.050 -0.010 0.000 0.897 396 N CB -0.448 38.034 38.487 -0.008 0.000 1.110 396 N HN 0.960 nan 8.380 nan 0.000 0.439 397 P HA 0.115 nan 4.420 nan 0.000 0.271 397 P C -0.952 176.344 177.300 -0.006 0.000 1.233 397 P CA -0.374 62.723 63.100 -0.004 0.000 0.789 397 P CB 0.367 32.067 31.700 0.001 0.000 0.951 398 N N 1.692 120.385 118.700 -0.012 0.000 2.497 398 N HA 0.057 4.800 4.740 0.004 0.000 0.268 398 N C 1.541 177.044 175.510 -0.011 0.000 1.171 398 N CA -0.139 52.900 53.050 -0.018 0.000 0.948 398 N CB 0.687 39.154 38.487 -0.034 0.000 1.069 398 N HN 0.357 nan 8.380 nan 0.000 0.460 399 R N 0.668 121.165 120.500 -0.004 0.000 2.083 399 R HA -0.051 4.291 4.340 0.004 0.000 0.237 399 R C 0.153 176.464 176.300 0.018 0.000 1.137 399 R CA 1.042 57.153 56.100 0.017 0.000 0.951 399 R CB -0.043 30.276 30.300 0.032 0.000 0.851 399 R HN 0.320 nan 8.270 nan 0.000 0.434 400 V N 0.948 120.830 119.914 -0.054 0.000 2.370 400 V HA 0.107 4.229 4.120 0.004 0.000 0.279 400 V C 0.575 176.541 176.094 -0.212 0.000 1.029 400 V CA 0.024 62.213 62.300 -0.185 0.000 0.870 400 V CB 1.712 33.276 31.823 -0.433 0.000 0.984 400 V HN 0.263 nan 8.190 nan 0.000 0.451 401 T N 3.335 117.825 114.554 -0.108 0.000 2.964 401 T HA 0.227 4.579 4.350 0.004 0.000 0.249 401 T C 0.427 175.084 174.700 -0.071 0.000 1.000 401 T CA 0.068 62.129 62.100 -0.065 0.000 0.992 401 T CB 0.070 68.954 68.868 0.027 0.000 1.087 401 T HN 0.546 nan 8.240 nan 0.000 0.489 402 F N 2.350 122.216 119.950 -0.140 0.000 2.459 402 F HA 0.651 5.181 4.527 0.004 0.000 0.346 402 F C 0.501 176.212 175.800 -0.148 0.000 1.128 402 F CA -2.243 55.675 58.000 -0.136 0.000 1.268 402 F CB -0.206 38.703 39.000 -0.152 0.000 1.161 402 F HN -0.119 nan 8.300 nan 0.000 0.583 403 K N 1.654 122.044 120.400 -0.016 0.000 2.491 403 K HA 0.558 4.880 4.320 0.004 0.000 0.279 403 K C -0.187 176.337 176.600 -0.128 0.000 1.026 403 K CA 0.284 56.523 56.287 -0.081 0.000 1.070 403 K CB -0.844 31.657 32.500 0.001 0.000 0.887 403 K HN 1.716 nan 8.250 nan 0.000 0.481 404 A N 2.213 124.900 122.820 -0.222 0.000 2.544 404 A HA 0.529 4.851 4.320 0.004 0.000 0.291 404 A C -0.974 176.516 177.584 -0.156 0.000 1.055 404 A CA -0.796 51.132 52.037 -0.182 0.000 0.651 404 A CB 0.617 19.335 19.000 -0.471 0.000 1.296 404 A HN 0.825 nan 8.150 nan 0.000 0.431 405 N N 1.234 119.889 118.700 -0.076 0.000 2.416 405 N HA 0.325 5.067 4.740 0.004 0.000 0.271 405 N C -0.223 174.966 175.510 -0.535 0.000 1.245 405 N CA -0.128 52.836 53.050 -0.143 0.000 0.940 405 N CB 0.359 38.853 38.487 0.011 0.000 1.175 405 N HN 0.394 nan 8.380 nan 0.000 0.483 406 R N 2.391 122.668 120.500 -0.370 0.000 2.923 406 R HA 0.567 4.909 4.340 0.004 0.000 0.252 406 R C -2.507 173.783 176.300 -0.016 0.000 1.130 406 R CA -2.211 53.627 56.100 -0.437 0.000 1.043 406 R CB -0.256 29.911 30.300 -0.222 0.000 1.205 406 R HN 0.338 nan 8.270 nan 0.000 0.495 407 P HA 0.181 nan 4.420 nan 0.000 0.271 407 P C -0.898 176.521 177.300 0.198 0.000 1.218 407 P CA 0.122 63.353 63.100 0.219 0.000 0.780 407 P CB 0.315 32.093 31.700 0.130 0.000 0.901 408 F N -0.154 119.849 119.950 0.089 0.000 2.650 408 F HA 0.625 5.154 4.527 0.003 0.000 0.320 408 F C -1.018 174.840 175.800 0.095 0.000 1.091 408 F CA -1.704 56.343 58.000 0.078 0.000 0.962 408 F CB 0.611 39.653 39.000 0.070 0.000 1.363 408 F HN 0.008 nan 8.300 nan 0.000 0.482 409 L N 1.878 123.297 121.223 0.327 0.000 2.379 409 L HA 0.770 5.112 4.340 0.004 0.000 0.269 409 L C -0.711 176.394 176.870 0.393 0.000 1.084 409 L CA -1.231 53.747 54.840 0.230 0.000 0.802 409 L CB 1.675 43.905 42.059 0.285 0.000 1.175 409 L HN 0.530 nan 8.230 nan 0.000 0.448 410 V N 2.017 122.057 119.914 0.210 0.000 2.709 410 V HA 0.524 4.646 4.120 0.004 0.000 0.308 410 V C -1.035 175.173 176.094 0.190 0.000 1.062 410 V CA -0.485 62.038 62.300 0.373 0.000 0.901 410 V CB 2.055 34.123 31.823 0.410 0.000 1.003 410 V HN 0.390 nan 8.190 nan 0.000 0.425 411 F N 4.073 124.193 119.950 0.283 0.000 2.578 411 F HA 0.649 5.178 4.527 0.003 0.000 0.311 411 F C -0.172 175.801 175.800 0.288 0.000 1.094 411 F CA -0.779 57.367 58.000 0.243 0.000 0.923 411 F CB 1.945 41.042 39.000 0.162 0.000 1.230 411 F HN 0.185 nan 8.300 nan 0.000 0.450 412 I N 3.686 124.529 120.570 0.455 0.000 2.390 412 I HA 0.445 4.617 4.170 0.004 0.000 0.283 412 I C -0.316 175.944 176.117 0.239 0.000 1.016 412 I CA -0.440 61.072 61.300 0.355 0.000 1.151 412 I CB 1.331 39.506 38.000 0.293 0.000 1.293 412 I HN 0.556 nan 8.210 nan 0.000 0.458 413 R N 3.426 124.057 120.500 0.218 0.000 2.720 413 R HA 0.462 4.804 4.340 0.004 0.000 0.272 413 R C -0.615 175.742 176.300 0.095 0.000 0.991 413 R CA -0.855 55.330 56.100 0.141 0.000 1.010 413 R CB 1.968 32.352 30.300 0.140 0.000 1.141 413 R HN 0.438 nan 8.270 nan 0.000 0.494 414 E N 1.328 121.562 120.200 0.058 0.000 2.114 414 E HA 0.097 4.450 4.350 0.004 0.000 0.266 414 E C 0.426 177.063 176.600 0.062 0.000 0.896 414 E CA -0.604 55.824 56.400 0.047 0.000 0.750 414 E CB 1.385 31.086 29.700 0.002 0.000 1.121 414 E HN 0.439 nan 8.360 nan 0.000 0.413 415 V N 2.743 122.707 119.914 0.083 0.000 2.323 415 V HA 0.100 4.222 4.120 0.004 0.000 0.244 415 V C -0.864 175.274 176.094 0.074 0.000 1.041 415 V CA 1.010 63.358 62.300 0.080 0.000 1.025 415 V CB -1.640 30.236 31.823 0.088 0.000 0.656 415 V HN 0.682 nan 8.190 nan 0.000 0.451 416 P HA -0.086 nan 4.420 nan 0.000 0.222 416 P C 1.609 178.954 177.300 0.076 0.000 1.147 416 P CA 1.392 64.530 63.100 0.065 0.000 0.790 416 P CB -0.079 31.653 31.700 0.053 0.000 0.780 417 L N -1.142 120.119 121.223 0.063 0.000 2.628 417 L HA 0.200 4.542 4.340 0.004 0.000 0.229 417 L C 0.554 177.458 176.870 0.058 0.000 1.137 417 L CA -0.176 54.700 54.840 0.060 0.000 0.909 417 L CB -1.161 40.907 42.059 0.015 0.000 1.137 417 L HN -0.041 nan 8.230 nan 0.000 0.470 418 N N 0.884 119.626 118.700 0.071 0.000 2.707 418 N HA -0.189 4.553 4.740 0.004 0.000 0.253 418 N C -0.622 174.886 175.510 -0.003 0.000 0.998 418 N CA 0.878 53.955 53.050 0.045 0.000 0.751 418 N CB -0.683 37.843 38.487 0.064 0.000 0.920 418 N HN 0.175 nan 8.380 nan 0.000 0.539 419 T N 1.226 115.785 114.554 0.008 0.000 2.807 419 T HA 0.450 4.802 4.350 0.004 0.000 0.279 419 T C 0.529 175.246 174.700 0.028 0.000 0.993 419 T CA -0.555 61.544 62.100 -0.002 0.000 0.970 419 T CB 0.956 69.810 68.868 -0.024 0.000 0.950 419 T HN 0.171 nan 8.240 nan 0.000 0.441 420 I N 4.600 125.198 120.570 0.048 0.000 2.308 420 I HA 0.226 4.398 4.170 0.004 0.000 0.293 420 I C 1.078 177.209 176.117 0.024 0.000 1.078 420 I CA -0.155 61.203 61.300 0.098 0.000 1.292 420 I CB 0.592 38.686 38.000 0.155 0.000 1.423 420 I HN 0.696 nan 8.210 nan 0.000 0.493 421 I N 5.438 125.992 120.570 -0.025 0.000 2.296 421 I HA 0.020 4.192 4.170 0.004 0.000 0.242 421 I C 0.223 176.060 176.117 -0.468 0.000 1.087 421 I CA 1.071 62.224 61.300 -0.244 0.000 1.393 421 I CB 0.068 37.917 38.000 -0.251 0.000 1.093 421 I HN 0.281 nan 8.210 nan 0.000 0.421 422 F N 0.550 120.506 119.950 0.010 0.000 2.611 422 F HA 0.661 5.191 4.527 0.004 0.000 0.324 422 F C -0.081 175.676 175.800 -0.072 0.000 1.061 422 F CA -0.905 57.042 58.000 -0.088 0.000 0.954 422 F CB 1.849 40.859 39.000 0.015 0.000 1.301 422 F HN -0.140 nan 8.300 nan 0.000 0.482 423 M N 0.692 120.265 119.600 -0.044 0.000 2.694 423 M HA 0.870 5.352 4.480 0.004 0.000 0.276 423 M C -1.127 175.095 176.300 -0.130 0.000 1.167 423 M CA -0.447 54.729 55.300 -0.206 0.000 0.849 423 M CB 2.351 34.670 32.600 -0.468 0.000 1.705 423 M HN 0.811 nan 8.290 nan 0.000 0.504 424 G N 0.985 109.713 108.800 -0.121 0.000 2.340 424 G HA2 0.514 4.476 3.960 0.004 0.000 0.299 424 G HA3 0.514 4.476 3.960 0.004 0.000 0.299 424 G C -2.455 172.496 174.900 0.084 0.000 1.291 424 G CA -1.020 44.181 45.100 0.168 0.000 0.841 424 G HN 0.906 nan 8.290 nan 0.000 0.500 425 R N -0.052 120.550 120.500 0.169 0.000 2.480 425 R HA 0.581 4.923 4.340 0.004 0.000 0.306 425 R C -1.356 174.868 176.300 -0.126 0.000 0.958 425 R CA -0.501 55.619 56.100 0.034 0.000 0.861 425 R CB 1.938 32.317 30.300 0.132 0.000 1.171 425 R HN 0.333 nan 8.270 nan 0.000 0.445 426 V N 5.125 124.777 119.914 -0.437 0.000 2.284 426 V HA 0.245 4.368 4.120 0.004 0.000 0.260 426 V C 0.904 176.657 176.094 -0.567 0.000 1.084 426 V CA 0.116 61.995 62.300 -0.702 0.000 0.894 426 V CB 0.652 31.618 31.823 -1.429 0.000 1.119 426 V HN 0.947 nan 8.190 nan 0.000 0.484 427 A N 3.885 126.526 122.820 -0.298 0.000 2.115 427 A HA 0.229 4.551 4.320 0.004 0.000 0.211 427 A C 0.990 178.485 177.584 -0.148 0.000 1.169 427 A CA 0.358 52.327 52.037 -0.114 0.000 0.787 427 A CB 0.106 19.077 19.000 -0.048 0.000 0.858 427 A HN 0.607 nan 8.150 nan 0.000 0.474 428 N N -0.174 118.311 118.700 -0.359 0.000 2.621 428 N HA 0.199 4.941 4.740 0.004 0.000 0.271 428 N C -3.098 172.101 175.510 -0.518 0.000 1.181 428 N CA -0.928 51.856 53.050 -0.443 0.000 0.805 428 N CB 1.898 40.267 38.487 -0.197 0.000 1.351 428 N HN -0.007 nan 8.380 nan 0.000 0.539 429 P HA 0.281 nan 4.420 nan 0.000 0.259 429 P C -0.012 177.121 177.300 -0.278 0.000 1.530 429 P CA -0.051 62.742 63.100 -0.512 0.000 1.022 429 P CB -0.142 31.149 31.700 -0.682 0.000 1.514 430 c N -0.375 118.062 118.600 -0.272 0.000 2.347 430 c HA 0.420 4.992 4.570 0.004 0.000 0.366 430 c C 1.429 175.475 174.090 -0.073 0.000 1.241 430 c CA -0.100 56.142 56.329 -0.145 0.000 2.360 430 c CB 0.923 43.354 42.510 -0.132 0.000 2.290 430 c HN 0.280 nan 8.230 nan 0.000 0.587 431 V N 0.000 119.887 119.914 -0.044 0.000 2.409 431 V HA 0.000 4.122 4.120 0.004 0.000 0.244 431 V CA 0.000 62.285 62.300 -0.025 0.000 1.235 431 V CB 0.000 31.809 31.823 -0.024 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556