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 1m3i_1_A DATA FIRST_RESID 36 DATA SEQUENCE QSIDSGISSL SYNRNEVLAS NGDKIESFVP KEGKKAGNKF IVVERQKRSL DATA SEQUENCE TTSPVDISII DSVNDRTYPG ALQLADKALV ENRPTILMVK RKPININIDL DATA SEQUENCE PGLKGENSIK VDDPTYGKVS GAIDELVSKW NEKYSSTHTL PARTQYSESM DATA SEQUENCE VYSKSQISSA LNVNAKVLEN SLGVDFNAVA NNEKKVMILA YKQIFYTVSA DATA SEQUENCE DLPKNPSDLF DDSVTFNDLK QKGVSNEAPP LMVSNVAYGR TIYVKLETTS DATA SEQUENCE SSKDVQAAFK ALIKNTDIKN SQQYKDIYEN SSFTAVVLGG DAQEHNKVVT DATA SEQUENCE KDFDEIRKVI KDNATFSTKN PAYPISYTSV FLKDNSVAAV HNKTDYIETT DATA SEQUENCE STEYSKGKIN LDHSGAYVAQ FEVAWDEVSY DKEGNEVLTH KTWDGNYQDK DATA SEQUENCE TAHYSTVIPL EANARNIRIK ARECTGLAWE WWRDVISEYD VPLTNNINVS DATA SEQUENCE IWGTTLYPGS SITYN 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 36 Q HA 0.000 nan 4.340 nan 0.000 0.214 36 Q C 0.000 176.055 176.000 0.091 0.000 1.003 36 Q CA 0.000 55.831 55.803 0.047 0.000 1.022 36 Q CB 0.000 28.769 28.738 0.051 0.000 1.108 37 S N -0.432 115.269 115.700 0.001 0.000 2.654 37 S HA 0.443 4.914 4.470 0.002 0.000 0.283 37 S C 1.222 175.845 174.600 0.037 0.000 1.180 37 S CA -0.477 57.738 58.200 0.025 0.000 1.021 37 S CB 0.744 63.937 63.200 -0.013 0.000 1.018 37 S HN 0.299 nan 8.310 nan 0.000 0.532 38 I N 2.082 122.669 120.570 0.028 0.000 2.053 38 I HA -0.280 3.892 4.170 0.002 0.000 0.236 38 I C 1.810 177.917 176.117 -0.016 0.000 1.038 38 I CA 2.280 63.560 61.300 -0.033 0.000 1.304 38 I CB -0.443 37.380 38.000 -0.296 0.000 1.023 38 I HN 0.743 nan 8.210 nan 0.000 0.395 39 D N 0.215 120.600 120.400 -0.025 0.000 2.123 39 D HA -0.161 4.480 4.640 0.002 0.000 0.196 39 D C 2.227 178.492 176.300 -0.060 0.000 0.992 39 D CA 1.669 55.666 54.000 -0.005 0.000 0.833 39 D CB -0.225 40.583 40.800 0.013 0.000 0.954 39 D HN 0.348 nan 8.370 nan 0.000 0.455 40 S N 0.463 116.098 115.700 -0.109 0.000 2.343 40 S HA -0.113 4.358 4.470 0.002 0.000 0.219 40 S C 2.354 176.746 174.600 -0.345 0.000 1.033 40 S CA 1.082 59.176 58.200 -0.176 0.000 1.014 40 S CB -1.314 61.791 63.200 -0.159 0.000 0.915 40 S HN 0.393 nan 8.310 nan 0.000 0.435 41 G N 1.729 110.124 108.800 -0.675 0.000 2.446 41 G HA2 -0.144 3.817 3.960 0.002 0.000 0.217 41 G HA3 -0.144 3.817 3.960 0.002 0.000 0.217 41 G C 1.412 175.855 174.900 -0.760 0.000 1.168 41 G CA 0.958 45.099 45.100 -1.599 0.000 0.771 41 G HN 0.477 nan 8.290 nan 0.000 0.551 42 I N 0.348 120.793 120.570 -0.207 0.000 2.163 42 I HA -0.115 4.056 4.170 0.002 0.000 0.240 42 I C 2.852 178.990 176.117 0.035 0.000 1.081 42 I CA 1.128 62.486 61.300 0.096 0.000 1.353 42 I CB -0.182 37.925 38.000 0.178 0.000 1.054 42 I HN 0.152 nan 8.210 nan 0.000 0.407 43 S N 0.000 115.689 115.700 -0.019 0.000 2.571 43 S HA -0.111 4.360 4.470 0.002 0.000 0.245 43 S C 1.495 176.064 174.600 -0.051 0.000 0.976 43 S CA 1.338 59.526 58.200 -0.020 0.000 0.954 43 S CB -0.332 62.850 63.200 -0.030 0.000 0.756 43 S HN 0.580 nan 8.310 nan 0.000 0.535 44 S N -0.378 115.275 115.700 -0.078 0.000 2.846 44 S HA 0.403 4.874 4.470 0.002 0.000 0.249 44 S C -0.009 174.566 174.600 -0.042 0.000 1.028 44 S CA -0.579 57.572 58.200 -0.082 0.000 1.043 44 S CB -0.115 63.011 63.200 -0.124 0.000 0.990 44 S HN 0.286 nan 8.310 nan 0.000 0.564 45 L N 3.562 124.802 121.223 0.028 0.000 2.367 45 L HA 0.366 4.707 4.340 0.002 0.000 0.275 45 L C 0.294 177.194 176.870 0.049 0.000 1.129 45 L CA -0.229 54.696 54.840 0.141 0.000 0.839 45 L CB 1.083 43.361 42.059 0.366 0.000 1.133 45 L HN 0.447 nan 8.230 nan 0.000 0.453 46 S N 3.887 119.635 115.700 0.080 0.000 2.448 46 S HA 0.643 5.114 4.470 0.002 0.000 0.320 46 S C -0.889 173.761 174.600 0.083 0.000 1.071 46 S CA -0.605 57.579 58.200 -0.027 0.000 1.113 46 S CB 0.666 63.857 63.200 -0.015 0.000 0.972 46 S HN 0.515 nan 8.310 nan 0.000 0.465 47 Y N -0.365 119.891 120.300 -0.073 0.000 2.573 47 Y HA 0.528 5.079 4.550 0.002 0.000 0.328 47 Y C -1.207 174.626 175.900 -0.113 0.000 1.170 47 Y CA -1.281 56.771 58.100 -0.081 0.000 1.078 47 Y CB 0.625 39.033 38.460 -0.086 0.000 1.341 47 Y HN 0.502 nan 8.280 nan 0.000 0.459 48 N N 3.625 122.354 118.700 0.049 0.000 2.439 48 N HA 0.102 4.843 4.740 0.002 0.000 0.243 48 N C 1.061 176.615 175.510 0.074 0.000 1.088 48 N CA -0.162 52.877 53.050 -0.018 0.000 0.940 48 N CB 0.773 39.251 38.487 -0.016 0.000 1.180 48 N HN 0.995 nan 8.380 nan 0.000 0.505 49 R N 2.927 123.431 120.500 0.008 0.000 2.170 49 R HA -0.096 4.245 4.340 0.002 0.000 0.242 49 R C 0.061 176.525 176.300 0.274 0.000 1.145 49 R CA 1.128 57.278 56.100 0.084 0.000 0.984 49 R CB -0.200 30.053 30.300 -0.078 0.000 0.869 49 R HN 0.412 nan 8.270 nan 0.000 0.455 50 N N 0.580 119.340 118.700 0.100 0.000 2.313 50 N HA 0.013 4.754 4.740 0.002 0.000 0.207 50 N C -0.063 175.206 175.510 -0.402 0.000 1.141 50 N CA 0.430 53.413 53.050 -0.111 0.000 0.830 50 N CB 0.751 39.144 38.487 -0.156 0.000 1.008 50 N HN 0.525 nan 8.380 nan 0.000 0.481 51 E N -1.033 119.135 120.200 -0.053 0.000 2.646 51 E HA -0.027 4.324 4.350 0.002 0.000 0.207 51 E C 1.833 178.495 176.600 0.104 0.000 0.922 51 E CA -0.029 56.359 56.400 -0.021 0.000 1.482 51 E CB 0.397 30.078 29.700 -0.031 0.000 1.509 51 E HN 0.078 nan 8.360 nan 0.000 0.831 52 V N -0.097 119.919 119.914 0.170 0.000 2.282 52 V HA -0.123 3.998 4.120 0.002 0.000 0.249 52 V C 0.986 177.180 176.094 0.166 0.000 1.057 52 V CA 1.251 63.651 62.300 0.166 0.000 1.032 52 V CB -0.522 31.416 31.823 0.192 0.000 0.645 52 V HN 0.073 nan 8.190 nan 0.000 0.447 53 L N 1.756 123.124 121.223 0.241 0.000 2.277 53 L HA 0.795 5.136 4.340 0.002 0.000 0.284 53 L C -0.173 176.815 176.870 0.196 0.000 1.028 53 L CA 0.211 55.153 54.840 0.170 0.000 0.835 53 L CB 1.000 43.132 42.059 0.121 0.000 1.215 53 L HN 0.441 nan 8.230 nan 0.000 0.425 54 A N 2.012 124.907 122.820 0.125 0.000 2.486 54 A HA 0.731 5.052 4.320 0.002 0.000 0.300 54 A C -0.397 177.224 177.584 0.061 0.000 1.048 54 A CA -0.549 51.559 52.037 0.118 0.000 0.696 54 A CB 1.817 20.881 19.000 0.107 0.000 1.278 54 A HN 0.534 nan 8.150 nan 0.000 0.405 55 S N 2.479 118.207 115.700 0.048 0.000 2.269 55 S HA 0.421 4.892 4.470 0.002 0.000 0.194 55 S C -0.636 173.976 174.600 0.022 0.000 1.547 55 S CA -0.824 57.388 58.200 0.020 0.000 1.186 55 S CB -0.131 63.069 63.200 -0.000 0.000 1.069 55 S HN 0.569 nan 8.310 nan 0.000 0.473 56 N N 1.269 119.982 118.700 0.023 0.000 2.489 56 N HA 0.702 5.443 4.740 0.002 0.000 0.284 56 N C 0.606 176.122 175.510 0.010 0.000 1.158 56 N CA -0.177 52.885 53.050 0.021 0.000 0.965 56 N CB 1.849 40.350 38.487 0.024 0.000 1.195 56 N HN 0.674 nan 8.380 nan 0.000 0.506 57 G N -0.189 108.618 108.800 0.012 0.000 3.259 57 G HA2 0.132 4.094 3.960 0.002 0.000 0.193 57 G HA3 0.132 4.094 3.960 0.002 0.000 0.193 57 G C -1.113 173.792 174.900 0.008 0.000 1.457 57 G CA -0.329 44.774 45.100 0.004 0.000 0.771 57 G HN 0.600 nan 8.290 nan 0.000 0.765 58 D N 0.879 121.287 120.400 0.013 0.000 2.225 58 D HA 0.398 5.039 4.640 0.002 0.000 0.248 58 D C -0.695 175.614 176.300 0.015 0.000 1.096 58 D CA -0.131 53.878 54.000 0.015 0.000 0.863 58 D CB 2.675 43.486 40.800 0.019 0.000 1.156 58 D HN 0.324 nan 8.370 nan 0.000 0.450 59 K N 1.980 122.386 120.400 0.009 0.000 2.471 59 K HA 0.448 4.769 4.320 0.002 0.000 0.252 59 K C -1.658 174.945 176.600 0.005 0.000 0.938 59 K CA -0.792 55.496 56.287 0.002 0.000 0.796 59 K CB 1.651 34.154 32.500 0.004 0.000 1.161 59 K HN 0.398 nan 8.250 nan 0.000 0.425 60 I N 2.731 123.296 120.570 -0.007 0.000 2.910 60 I HA 0.343 4.514 4.170 0.002 0.000 0.310 60 I C -0.272 175.877 176.117 0.055 0.000 1.043 60 I CA 0.013 61.325 61.300 0.021 0.000 1.053 60 I CB 2.063 40.066 38.000 0.006 0.000 1.242 60 I HN 0.950 nan 8.210 nan 0.000 0.452 61 E N 1.151 121.422 120.200 0.117 0.000 2.624 61 E HA 0.037 4.388 4.350 0.002 0.000 0.192 61 E C 0.146 176.857 176.600 0.185 0.000 0.961 61 E CA 0.181 56.674 56.400 0.156 0.000 1.632 61 E CB 0.481 30.229 29.700 0.080 0.000 2.082 61 E HN 0.453 nan 8.360 nan 0.000 1.040 62 S N 1.596 117.381 115.700 0.142 0.000 3.324 62 S HA 0.203 4.674 4.470 0.002 0.000 0.229 62 S C -0.255 174.427 174.600 0.136 0.000 1.417 62 S CA -0.648 57.607 58.200 0.092 0.000 1.211 62 S CB -0.836 62.398 63.200 0.057 0.000 1.157 62 S HN 0.256 nan 8.310 nan 0.000 0.491 63 F N 0.337 120.282 119.950 -0.008 0.000 2.458 63 F HA 0.769 5.297 4.527 0.002 0.000 0.330 63 F C -0.586 175.208 175.800 -0.010 0.000 1.082 63 F CA -1.376 56.618 58.000 -0.010 0.000 0.995 63 F CB 1.047 40.037 39.000 -0.017 0.000 1.170 63 F HN -0.133 nan 8.300 nan 0.000 0.478 64 V N 4.914 124.788 119.914 -0.067 0.000 2.370 64 V HA 0.140 4.261 4.120 0.002 0.000 0.257 64 V C -1.600 174.394 176.094 -0.167 0.000 1.064 64 V CA -1.091 61.115 62.300 -0.157 0.000 0.975 64 V CB 0.461 32.266 31.823 -0.029 0.000 1.067 64 V HN 0.727 nan 8.190 nan 0.000 0.485 65 P HA -0.113 nan 4.420 nan 0.000 0.218 65 P C 0.294 177.557 177.300 -0.061 0.000 1.146 65 P CA 1.178 64.166 63.100 -0.185 0.000 0.813 65 P CB 0.243 31.805 31.700 -0.231 0.000 0.778 66 K N -0.730 119.609 120.400 -0.101 0.000 2.550 66 K HA 0.361 4.682 4.320 0.002 0.000 0.252 66 K C -1.693 174.814 176.600 -0.155 0.000 0.943 66 K CA -0.542 55.645 56.287 -0.167 0.000 0.806 66 K CB 1.604 33.925 32.500 -0.298 0.000 1.289 66 K HN -0.359 nan 8.250 nan 0.000 0.435 67 E N 2.036 122.144 120.200 -0.153 0.000 2.186 67 E HA 0.489 4.840 4.350 0.002 0.000 0.255 67 E C -1.068 175.471 176.600 -0.102 0.000 0.881 67 E CA -0.640 55.708 56.400 -0.086 0.000 0.752 67 E CB 1.589 31.264 29.700 -0.041 0.000 1.176 67 E HN 0.678 nan 8.360 nan 0.000 0.421 68 G N 4.564 113.361 108.800 -0.004 0.000 2.415 68 G HA2 0.447 4.408 3.960 0.002 0.000 0.317 68 G HA3 0.447 4.408 3.960 0.002 0.000 0.317 68 G C -0.950 173.881 174.900 -0.114 0.000 1.152 68 G CA -0.474 44.667 45.100 0.069 0.000 0.956 68 G HN 0.429 nan 8.290 nan 0.000 0.458 69 K N 1.596 121.752 120.400 -0.406 0.000 2.509 69 K HA 0.541 4.862 4.320 0.002 0.000 0.266 69 K C -1.037 175.217 176.600 -0.577 0.000 0.987 69 K CA -0.988 55.080 56.287 -0.365 0.000 0.868 69 K CB 2.158 34.558 32.500 -0.167 0.000 1.421 69 K HN 0.277 nan 8.250 nan 0.000 0.444 70 K N 0.273 120.498 120.400 -0.293 0.000 2.098 70 K HA 0.582 4.903 4.320 0.002 0.000 0.258 70 K C -0.966 175.586 176.600 -0.079 0.000 0.973 70 K CA -0.786 55.406 56.287 -0.158 0.000 0.898 70 K CB 1.826 34.333 32.500 0.012 0.000 1.057 70 K HN 0.671 nan 8.250 nan 0.000 0.447 71 A N 1.905 124.711 122.820 -0.022 0.000 3.007 71 A HA 0.555 4.876 4.320 0.002 0.000 0.314 71 A C 0.265 177.865 177.584 0.025 0.000 1.153 71 A CA 0.043 52.078 52.037 -0.003 0.000 0.780 71 A CB 0.017 19.011 19.000 -0.010 0.000 1.258 71 A HN 0.869 nan 8.150 nan 0.000 0.460 72 G N 1.954 110.771 108.800 0.028 0.000 2.543 72 G HA2 -0.351 3.610 3.960 0.002 0.000 0.286 72 G HA3 -0.351 3.610 3.960 0.002 0.000 0.286 72 G C 1.048 175.980 174.900 0.052 0.000 1.153 72 G CA 0.494 45.615 45.100 0.035 0.000 0.968 72 G HN 0.787 nan 8.290 nan 0.000 0.544 73 N N 1.535 120.267 118.700 0.053 0.000 2.412 73 N HA 0.049 4.791 4.740 0.002 0.000 0.184 73 N C 0.783 176.351 175.510 0.096 0.000 1.101 73 N CA 0.714 53.803 53.050 0.065 0.000 0.881 73 N CB -0.081 38.434 38.487 0.047 0.000 0.969 73 N HN 0.546 nan 8.380 nan 0.000 0.459 74 K N -0.261 120.200 120.400 0.102 0.000 2.177 74 K HA 0.237 4.558 4.320 0.002 0.000 0.238 74 K C -1.096 175.636 176.600 0.220 0.000 1.015 74 K CA -0.530 55.847 56.287 0.151 0.000 0.922 74 K CB 1.297 33.862 32.500 0.108 0.000 1.127 74 K HN -0.132 nan 8.250 nan 0.000 0.469 75 F N 2.412 122.442 119.950 0.132 0.000 2.577 75 F HA 0.321 4.849 4.527 0.002 0.000 0.344 75 F C -1.061 174.861 175.800 0.203 0.000 1.145 75 F CA -1.036 57.053 58.000 0.148 0.000 0.996 75 F CB 0.659 39.742 39.000 0.138 0.000 1.248 75 F HN 0.173 nan 8.300 nan 0.000 0.447 76 I N 6.314 126.815 120.570 -0.115 0.000 2.440 76 I HA 0.448 4.619 4.170 0.002 0.000 0.294 76 I C -0.435 175.656 176.117 -0.043 0.000 0.995 76 I CA -1.178 60.119 61.300 -0.004 0.000 1.306 76 I CB 1.220 39.194 38.000 -0.044 0.000 1.407 76 I HN 0.251 nan 8.210 nan 0.000 0.501 77 V N 6.083 126.070 119.914 0.121 0.000 2.398 77 V HA 0.306 4.427 4.120 0.002 0.000 0.282 77 V C 0.018 176.134 176.094 0.037 0.000 1.014 77 V CA -0.678 61.689 62.300 0.111 0.000 0.838 77 V CB 1.699 33.706 31.823 0.306 0.000 1.018 77 V HN 0.477 nan 8.190 nan 0.000 0.432 78 V N 3.518 123.418 119.914 -0.023 0.000 2.607 78 V HA 0.483 4.604 4.120 0.002 0.000 0.289 78 V C 0.164 176.233 176.094 -0.042 0.000 1.053 78 V CA -0.372 61.918 62.300 -0.016 0.000 0.996 78 V CB 1.689 33.505 31.823 -0.011 0.000 0.995 78 V HN 0.968 nan 8.190 nan 0.000 0.476 79 E N 4.120 124.313 120.200 -0.010 0.000 2.460 79 E HA 0.381 4.732 4.350 0.002 0.000 0.249 79 E C -0.317 176.302 176.600 0.031 0.000 0.962 79 E CA -0.636 55.758 56.400 -0.011 0.000 0.787 79 E CB 0.854 30.549 29.700 -0.007 0.000 1.341 79 E HN 0.670 nan 8.360 nan 0.000 0.407 80 R N 2.325 122.869 120.500 0.073 0.000 2.580 80 R HA 0.362 4.704 4.340 0.002 0.000 0.267 80 R C -0.175 176.205 176.300 0.133 0.000 1.125 80 R CA -0.596 55.573 56.100 0.116 0.000 1.188 80 R CB 0.686 31.125 30.300 0.232 0.000 1.155 80 R HN 0.459 nan 8.270 nan 0.000 0.586 81 Q N 0.892 120.700 119.800 0.014 0.000 2.821 81 Q HA 0.070 4.411 4.340 0.002 0.000 0.217 81 Q C -1.563 174.235 176.000 -0.336 0.000 0.775 81 Q CA -0.282 55.483 55.803 -0.062 0.000 0.930 81 Q CB 1.112 29.819 28.738 -0.052 0.000 1.511 81 Q HN 0.449 nan 8.270 nan 0.000 0.457 82 K N 2.827 122.837 120.400 -0.650 0.000 2.511 82 K HA 0.062 4.383 4.320 0.002 0.000 0.280 82 K C -0.696 175.580 176.600 -0.541 0.000 1.008 82 K CA 0.442 56.270 56.287 -0.764 0.000 1.050 82 K CB 0.516 32.484 32.500 -0.886 0.000 0.889 82 K HN 0.388 nan 8.250 nan 0.000 0.484 83 R N 1.294 121.351 120.500 -0.739 0.000 2.854 83 R HA 0.381 4.722 4.340 0.002 0.000 0.271 83 R C -1.124 174.577 176.300 -0.997 0.000 0.994 83 R CA -0.743 54.829 56.100 -0.880 0.000 0.945 83 R CB 1.986 31.563 30.300 -1.205 0.000 1.194 83 R HN 0.839 nan 8.270 nan 0.000 0.476 84 S N 1.398 116.747 115.700 -0.585 0.000 2.575 84 S HA 0.606 5.077 4.470 0.002 0.000 0.278 84 S C -1.142 173.472 174.600 0.024 0.000 1.139 84 S CA -0.830 57.223 58.200 -0.246 0.000 0.954 84 S CB 1.367 64.478 63.200 -0.148 0.000 1.054 84 S HN 0.516 nan 8.310 nan 0.000 0.483 85 L N 2.570 123.916 121.223 0.205 0.000 2.333 85 L HA 0.885 5.226 4.340 0.002 0.000 0.269 85 L C -1.222 175.715 176.870 0.112 0.000 1.010 85 L CA -0.272 54.686 54.840 0.197 0.000 0.818 85 L CB 2.328 44.549 42.059 0.270 0.000 1.306 85 L HN 0.876 nan 8.230 nan 0.000 0.430 86 T N 1.635 116.238 114.554 0.082 0.000 2.985 86 T HA 0.355 4.707 4.350 0.002 0.000 0.315 86 T C -0.677 174.056 174.700 0.055 0.000 1.001 86 T CA -0.446 61.692 62.100 0.064 0.000 1.016 86 T CB 1.284 70.184 68.868 0.054 0.000 0.993 86 T HN 0.638 nan 8.240 nan 0.000 0.454 87 T N 1.508 116.090 114.554 0.047 0.000 2.928 87 T HA 0.599 4.950 4.350 0.002 0.000 0.284 87 T C 0.501 175.217 174.700 0.026 0.000 1.008 87 T CA -0.766 61.350 62.100 0.026 0.000 1.057 87 T CB 1.545 70.416 68.868 0.005 0.000 1.018 87 T HN 0.419 nan 8.240 nan 0.000 0.493 88 S N 2.407 118.105 115.700 -0.003 0.000 2.598 88 S HA 0.304 4.775 4.470 0.002 0.000 0.209 88 S C -2.600 171.934 174.600 -0.111 0.000 1.029 88 S CA -1.021 57.153 58.200 -0.043 0.000 1.172 88 S CB -0.101 63.131 63.200 0.055 0.000 1.427 88 S HN 0.536 nan 8.310 nan 0.000 0.418 89 P HA 0.179 nan 4.420 nan 0.000 0.272 89 P C 0.968 178.161 177.300 -0.179 0.000 1.230 89 P CA -0.282 62.740 63.100 -0.129 0.000 0.788 89 P CB 1.146 32.775 31.700 -0.118 0.000 0.949 90 V N -2.407 117.409 119.914 -0.162 0.000 3.570 90 V HA 0.232 4.354 4.120 0.002 0.000 0.257 90 V C 0.584 176.546 176.094 -0.221 0.000 1.272 90 V CA 0.534 62.724 62.300 -0.183 0.000 1.079 90 V CB -0.133 31.613 31.823 -0.128 0.000 0.829 90 V HN 0.417 nan 8.190 nan 0.000 0.454 91 D N 1.585 121.864 120.400 -0.202 0.000 2.313 91 D HA 0.377 5.018 4.640 0.002 0.000 0.239 91 D C -0.783 175.340 176.300 -0.295 0.000 1.142 91 D CA -0.284 53.573 54.000 -0.237 0.000 0.847 91 D CB 1.380 42.082 40.800 -0.165 0.000 1.082 91 D HN 0.382 nan 8.370 nan 0.000 0.480 92 I N 2.269 122.550 120.570 -0.482 0.000 2.353 92 I HA 0.089 4.261 4.170 0.002 0.000 0.293 92 I C 0.927 176.850 176.117 -0.324 0.000 0.992 92 I CA -0.370 60.634 61.300 -0.494 0.000 1.268 92 I CB 1.639 39.138 38.000 -0.835 0.000 1.387 92 I HN 0.129 nan 8.210 nan 0.000 0.478 93 S N 5.725 121.326 115.700 -0.164 0.000 2.580 93 S HA 0.522 4.994 4.470 0.002 0.000 0.274 93 S C -0.054 174.550 174.600 0.006 0.000 1.329 93 S CA -0.311 57.849 58.200 -0.067 0.000 1.036 93 S CB 0.426 63.601 63.200 -0.041 0.000 0.919 93 S HN 0.342 nan 8.310 nan 0.000 0.515 94 I N 3.321 123.907 120.570 0.026 0.000 2.378 94 I HA 0.295 4.467 4.170 0.002 0.000 0.291 94 I C 0.683 176.805 176.117 0.009 0.000 0.992 94 I CA -0.368 60.959 61.300 0.044 0.000 1.154 94 I CB 1.353 39.379 38.000 0.043 0.000 1.315 94 I HN 0.679 nan 8.210 nan 0.000 0.448 95 I N 3.120 123.690 120.570 -0.001 0.000 2.188 95 I HA -0.061 4.110 4.170 0.002 0.000 0.237 95 I C 0.473 176.572 176.117 -0.030 0.000 1.073 95 I CA 1.153 62.442 61.300 -0.018 0.000 1.359 95 I CB 0.032 38.015 38.000 -0.028 0.000 1.083 95 I HN 0.564 nan 8.210 nan 0.000 0.412 96 D N -0.051 120.327 120.400 -0.037 0.000 2.460 96 D HA 0.212 4.853 4.640 0.002 0.000 0.232 96 D C 0.810 177.079 176.300 -0.052 0.000 1.079 96 D CA -0.056 53.913 54.000 -0.052 0.000 0.864 96 D CB 1.161 41.928 40.800 -0.056 0.000 1.048 96 D HN -0.064 nan 8.370 nan 0.000 0.523 97 S N 1.442 117.107 115.700 -0.058 0.000 2.400 97 S HA -0.136 4.336 4.470 0.002 0.000 0.232 97 S C 1.891 176.478 174.600 -0.022 0.000 1.025 97 S CA 0.623 58.809 58.200 -0.022 0.000 0.993 97 S CB 0.103 63.277 63.200 -0.044 0.000 0.808 97 S HN 0.455 nan 8.310 nan 0.000 0.478 98 V N 2.326 122.188 119.914 -0.085 0.000 2.379 98 V HA -0.052 4.069 4.120 0.002 0.000 0.243 98 V C 2.323 178.378 176.094 -0.065 0.000 1.035 98 V CA 1.266 63.530 62.300 -0.060 0.000 1.035 98 V CB -0.539 31.236 31.823 -0.080 0.000 0.673 98 V HN 0.517 nan 8.190 nan 0.000 0.457 99 N N -0.159 118.499 118.700 -0.071 0.000 2.309 99 N HA -0.108 4.633 4.740 0.002 0.000 0.182 99 N C 0.708 176.159 175.510 -0.098 0.000 1.018 99 N CA 0.640 53.645 53.050 -0.075 0.000 0.876 99 N CB 0.079 38.530 38.487 -0.060 0.000 0.972 99 N HN 0.468 nan 8.380 nan 0.000 0.434 100 D N 0.165 120.510 120.400 -0.092 0.000 2.210 100 D HA 0.141 4.783 4.640 0.002 0.000 0.249 100 D C 0.081 176.271 176.300 -0.182 0.000 1.078 100 D CA -0.150 53.787 54.000 -0.106 0.000 0.875 100 D CB 0.866 41.632 40.800 -0.056 0.000 1.175 100 D HN 0.134 nan 8.370 nan 0.000 0.440 101 R N 1.813 122.156 120.500 -0.261 0.000 2.600 101 R HA 0.134 4.475 4.340 0.002 0.000 0.392 101 R C 0.184 176.481 176.300 -0.005 0.000 1.032 101 R CA -0.395 55.377 56.100 -0.547 0.000 1.139 101 R CB 0.834 30.556 30.300 -0.964 0.000 1.400 101 R HN 0.314 nan 8.270 nan 0.000 0.566 102 T N 1.908 116.462 114.554 0.000 0.000 2.946 102 T HA 0.022 4.373 4.350 0.002 0.000 0.312 102 T C -0.317 174.504 174.700 0.202 0.000 1.066 102 T CA 0.808 62.890 62.100 -0.029 0.000 1.138 102 T CB 0.091 68.756 68.868 -0.338 0.000 1.014 102 T HN 0.281 nan 8.240 nan 0.000 0.544 103 Y N 0.840 121.135 120.300 -0.008 0.000 2.655 103 Y HA 0.664 5.215 4.550 0.002 0.000 0.336 103 Y C -3.124 172.780 175.900 0.006 0.000 1.154 103 Y CA -3.302 54.843 58.100 0.075 0.000 1.055 103 Y CB 0.619 39.163 38.460 0.140 0.000 1.295 103 Y HN 0.302 nan 8.280 nan 0.000 0.465 104 P HA 0.332 nan 4.420 nan 0.000 0.282 104 P C 0.591 177.855 177.300 -0.059 0.000 1.274 104 P CA 1.172 64.267 63.100 -0.008 0.000 0.770 104 P CB 1.130 32.899 31.700 0.116 0.000 0.867 105 G N 2.365 111.039 108.800 -0.209 0.000 2.316 105 G HA2 -0.109 3.852 3.960 0.002 0.000 0.203 105 G HA3 -0.109 3.852 3.960 0.002 0.000 0.203 105 G C 0.425 175.110 174.900 -0.358 0.000 0.999 105 G CA 0.004 45.004 45.100 -0.168 0.000 0.649 105 G HN 0.797 nan 8.290 nan 0.000 0.489 106 A N 0.259 122.563 122.820 -0.860 0.000 2.521 106 A HA 0.580 4.901 4.320 0.002 0.000 0.237 106 A C 0.335 177.703 177.584 -0.360 0.000 1.087 106 A CA 0.797 52.340 52.037 -0.822 0.000 0.777 106 A CB 0.137 18.487 19.000 -1.084 0.000 1.035 106 A HN 1.066 nan 8.150 nan 0.000 0.510 107 L N 0.616 121.708 121.223 -0.219 0.000 2.365 107 L HA 0.534 4.876 4.340 0.002 0.000 0.273 107 L C -0.095 176.730 176.870 -0.075 0.000 1.000 107 L CA -0.439 54.330 54.840 -0.118 0.000 0.819 107 L CB 1.917 43.930 42.059 -0.076 0.000 1.284 107 L HN 0.992 nan 8.230 nan 0.000 0.418 108 Q N 2.969 122.742 119.800 -0.046 0.000 2.565 108 Q HA 0.665 5.006 4.340 0.002 0.000 0.294 108 Q C -1.543 174.458 176.000 0.001 0.000 1.005 108 Q CA -1.098 54.689 55.803 -0.026 0.000 0.771 108 Q CB 2.483 31.195 28.738 -0.042 0.000 1.486 108 Q HN 0.395 nan 8.270 nan 0.000 0.422 109 L N 0.667 121.892 121.223 0.004 0.000 2.325 109 L HA 0.693 5.035 4.340 0.002 0.000 0.279 109 L C 0.028 176.904 176.870 0.011 0.000 1.054 109 L CA -1.098 53.749 54.840 0.010 0.000 0.804 109 L CB 1.240 43.301 42.059 0.003 0.000 1.200 109 L HN 0.831 nan 8.230 nan 0.000 0.436 110 A N 2.377 125.210 122.820 0.023 0.000 3.026 110 A HA 0.244 4.565 4.320 0.002 0.000 0.272 110 A C -0.178 177.426 177.584 0.033 0.000 1.782 110 A CA -0.403 51.658 52.037 0.041 0.000 1.451 110 A CB -1.081 18.010 19.000 0.152 0.000 1.081 110 A HN 0.765 nan 8.150 nan 0.000 0.611 111 D N -0.572 119.840 120.400 0.019 0.000 2.553 111 D HA 0.242 4.883 4.640 0.002 0.000 0.249 111 D C 0.503 176.814 176.300 0.017 0.000 1.062 111 D CA -0.782 53.228 54.000 0.017 0.000 1.085 111 D CB 0.574 41.378 40.800 0.007 0.000 1.350 111 D HN 0.129 nan 8.370 nan 0.000 0.575 112 K N -0.304 120.105 120.400 0.015 0.000 2.280 112 K HA -0.009 4.313 4.320 0.002 0.000 0.202 112 K C 1.800 178.402 176.600 0.004 0.000 1.047 112 K CA 1.072 57.366 56.287 0.011 0.000 0.942 112 K CB -0.211 32.294 32.500 0.009 0.000 0.739 112 K HN 0.455 nan 8.250 nan 0.000 0.457 113 A N 2.098 124.919 122.820 0.003 0.000 1.877 113 A HA -0.159 4.162 4.320 0.002 0.000 0.216 113 A C 2.170 179.755 177.584 0.002 0.000 1.186 113 A CA 1.189 53.225 52.037 -0.001 0.000 0.620 113 A CB -0.538 18.460 19.000 -0.003 0.000 0.822 113 A HN 0.270 nan 8.150 nan 0.000 0.443 114 L N 0.324 121.552 121.223 0.008 0.000 1.990 114 L HA -0.142 4.199 4.340 0.002 0.000 0.213 114 L C 2.277 179.151 176.870 0.007 0.000 1.072 114 L CA 2.339 57.190 54.840 0.019 0.000 0.755 114 L CB -1.016 41.055 42.059 0.021 0.000 0.889 114 L HN 0.133 nan 8.230 nan 0.000 0.432 115 V N -0.096 119.817 119.914 -0.002 0.000 2.380 115 V HA -0.286 3.835 4.120 0.002 0.000 0.251 115 V C 2.087 178.172 176.094 -0.016 0.000 1.063 115 V CA 2.019 64.311 62.300 -0.012 0.000 1.055 115 V CB -0.831 30.991 31.823 -0.000 0.000 0.657 115 V HN 0.531 nan 8.190 nan 0.000 0.455 116 E N -0.247 119.946 120.200 -0.012 0.000 2.321 116 E HA 0.092 4.443 4.350 0.002 0.000 0.189 116 E C 0.229 176.819 176.600 -0.017 0.000 1.125 116 E CA -0.092 56.298 56.400 -0.018 0.000 1.005 116 E CB -0.463 29.227 29.700 -0.017 0.000 1.140 116 E HN 0.696 nan 8.360 nan 0.000 0.457 117 N N 1.267 119.961 118.700 -0.010 0.000 2.735 117 N HA -0.243 4.498 4.740 0.002 0.000 0.248 117 N C -0.993 174.520 175.510 0.004 0.000 1.083 117 N CA 0.970 54.021 53.050 0.001 0.000 0.703 117 N CB -0.727 37.752 38.487 -0.013 0.000 1.005 117 N HN 0.278 nan 8.380 nan 0.000 0.550 118 R N -2.826 117.677 120.500 0.005 0.000 2.994 118 R HA 0.249 4.590 4.340 0.002 0.000 0.219 118 R C -3.227 173.072 176.300 -0.002 0.000 1.645 118 R CA -1.268 54.829 56.100 -0.005 0.000 1.362 118 R CB 0.725 31.016 30.300 -0.014 0.000 1.572 118 R HN -0.035 nan 8.270 nan 0.000 0.659 119 P HA 0.038 nan 4.420 nan 0.000 0.271 119 P C -0.495 176.797 177.300 -0.013 0.000 1.233 119 P CA 0.089 63.191 63.100 0.004 0.000 0.789 119 P CB 0.891 32.603 31.700 0.021 0.000 0.951 120 T N 2.665 117.212 114.554 -0.011 0.000 2.738 120 T HA 0.332 4.683 4.350 0.002 0.000 0.298 120 T C 0.350 175.041 174.700 -0.016 0.000 0.962 120 T CA -0.313 61.780 62.100 -0.012 0.000 0.972 120 T CB -0.185 68.679 68.868 -0.007 0.000 0.928 120 T HN 0.161 nan 8.240 nan 0.000 0.474 121 I N 4.505 125.064 120.570 -0.018 0.000 2.371 121 I HA 0.223 4.394 4.170 0.002 0.000 0.290 121 I C 0.407 176.527 176.117 0.005 0.000 1.028 121 I CA -0.471 60.819 61.300 -0.017 0.000 1.345 121 I CB 0.754 38.748 38.000 -0.009 0.000 1.407 121 I HN 0.451 nan 8.210 nan 0.000 0.501 122 L N 7.142 128.371 121.223 0.010 0.000 2.278 122 L HA 0.340 4.681 4.340 0.002 0.000 0.287 122 L C 0.116 177.014 176.870 0.047 0.000 1.072 122 L CA -0.001 54.861 54.840 0.035 0.000 0.819 122 L CB 0.529 42.625 42.059 0.063 0.000 1.176 122 L HN 0.493 nan 8.230 nan 0.000 0.435 123 M N 5.712 125.342 119.600 0.050 0.000 2.047 123 M HA 0.403 4.884 4.480 0.002 0.000 0.342 123 M C -0.665 175.674 176.300 0.064 0.000 1.058 123 M CA -0.515 54.820 55.300 0.058 0.000 0.991 123 M CB 1.426 34.056 32.600 0.049 0.000 1.474 123 M HN 0.449 nan 8.290 nan 0.000 0.419 124 V N 0.778 120.740 119.914 0.080 0.000 3.049 124 V HA 0.567 4.688 4.120 0.002 0.000 0.309 124 V C -0.711 175.436 176.094 0.088 0.000 1.148 124 V CA -1.215 61.145 62.300 0.101 0.000 0.990 124 V CB 2.057 33.991 31.823 0.185 0.000 1.039 124 V HN 0.757 nan 8.190 nan 0.000 0.430 125 K N 3.538 123.989 120.400 0.084 0.000 2.447 125 K HA 0.327 4.648 4.320 0.002 0.000 0.281 125 K C 0.145 176.795 176.600 0.083 0.000 1.031 125 K CA -0.115 56.213 56.287 0.068 0.000 1.019 125 K CB 0.369 32.906 32.500 0.060 0.000 0.918 125 K HN 0.963 nan 8.250 nan 0.000 0.476 126 R N 2.418 122.947 120.500 0.048 0.000 2.922 126 R HA 0.395 4.736 4.340 0.002 0.000 0.256 126 R C -0.936 175.377 176.300 0.021 0.000 1.138 126 R CA -1.040 55.077 56.100 0.028 0.000 0.995 126 R CB 0.816 31.073 30.300 -0.071 0.000 1.226 126 R HN 0.307 nan 8.270 nan 0.000 0.481 127 K N 0.725 121.133 120.400 0.012 0.000 2.126 127 K HA 0.337 4.659 4.320 0.002 0.000 0.257 127 K C -2.243 174.360 176.600 0.005 0.000 1.007 127 K CA -1.659 54.639 56.287 0.019 0.000 0.928 127 K CB 0.649 33.169 32.500 0.033 0.000 1.013 127 K HN 0.382 nan 8.250 nan 0.000 0.473 128 P HA 0.110 nan 4.420 nan 0.000 0.271 128 P C -0.876 176.430 177.300 0.009 0.000 1.233 128 P CA -0.032 63.073 63.100 0.010 0.000 0.789 128 P CB 0.498 32.204 31.700 0.011 0.000 0.951 129 I N 0.400 120.978 120.570 0.013 0.000 2.841 129 I HA 0.349 4.520 4.170 0.002 0.000 0.298 129 I C -1.280 174.849 176.117 0.020 0.000 1.304 129 I CA -0.835 60.474 61.300 0.015 0.000 1.019 129 I CB 2.169 40.177 38.000 0.014 0.000 1.282 129 I HN 0.108 nan 8.210 nan 0.000 0.432 130 N N 5.863 124.575 118.700 0.020 0.000 2.455 130 N HA 0.591 5.332 4.740 0.002 0.000 0.280 130 N C -1.185 174.342 175.510 0.029 0.000 1.055 130 N CA -0.237 52.826 53.050 0.022 0.000 0.961 130 N CB 1.537 40.037 38.487 0.021 0.000 1.121 130 N HN 0.461 nan 8.380 nan 0.000 0.476 131 I N 1.559 122.147 120.570 0.029 0.000 2.693 131 I HA 0.481 4.652 4.170 0.002 0.000 0.303 131 I C -1.242 174.895 176.117 0.033 0.000 1.025 131 I CA -0.898 60.425 61.300 0.039 0.000 1.086 131 I CB 1.386 39.413 38.000 0.044 0.000 1.268 131 I HN 0.655 nan 8.210 nan 0.000 0.440 132 N N 6.456 125.182 118.700 0.045 0.000 2.369 132 N HA 0.457 5.198 4.740 0.002 0.000 0.287 132 N C -1.154 174.387 175.510 0.051 0.000 1.067 132 N CA -0.625 52.450 53.050 0.041 0.000 0.888 132 N CB 2.346 40.860 38.487 0.045 0.000 1.616 132 N HN 0.456 nan 8.380 nan 0.000 0.482 133 I N 0.877 121.462 120.570 0.025 0.000 2.488 133 I HA 0.319 4.490 4.170 0.002 0.000 0.299 133 I C -0.325 175.822 176.117 0.051 0.000 0.984 133 I CA -0.589 60.716 61.300 0.009 0.000 1.250 133 I CB 1.061 38.983 38.000 -0.130 0.000 1.389 133 I HN 0.722 nan 8.210 nan 0.000 0.488 134 D N 7.161 127.616 120.400 0.091 0.000 2.738 134 D HA 0.156 4.797 4.640 0.002 0.000 0.246 134 D C -0.064 176.309 176.300 0.122 0.000 1.270 134 D CA -0.253 53.813 54.000 0.110 0.000 0.833 134 D CB -0.132 40.738 40.800 0.117 0.000 1.040 134 D HN 0.303 nan 8.370 nan 0.000 0.487 135 L N 1.066 122.339 121.223 0.082 0.000 2.467 135 L HA 0.227 4.568 4.340 0.002 0.000 0.270 135 L C -1.595 175.391 176.870 0.194 0.000 1.205 135 L CA -1.357 53.515 54.840 0.053 0.000 0.828 135 L CB 0.481 42.432 42.059 -0.179 0.000 1.101 135 L HN -0.003 nan 8.230 nan 0.000 0.479 136 P HA 0.020 nan 4.420 nan 0.000 0.270 136 P C 0.117 177.628 177.300 0.352 0.000 1.223 136 P CA 0.067 63.314 63.100 0.245 0.000 0.785 136 P CB 0.487 32.291 31.700 0.173 0.000 0.923 137 G N 0.918 109.843 108.800 0.209 0.000 2.372 137 G HA2 -0.191 3.770 3.960 0.002 0.000 0.297 137 G HA3 -0.191 3.770 3.960 0.002 0.000 0.297 137 G C 0.044 175.127 174.900 0.305 0.000 1.005 137 G CA 0.156 45.383 45.100 0.213 0.000 1.173 137 G HN 0.547 nan 8.290 nan 0.000 0.511 138 L N -0.622 120.744 121.223 0.237 0.000 3.521 138 L HA 0.317 4.659 4.340 0.002 0.000 0.323 138 L C 1.262 178.206 176.870 0.123 0.000 1.268 138 L CA 0.111 55.073 54.840 0.204 0.000 1.064 138 L CB 0.199 42.428 42.059 0.283 0.000 1.455 138 L HN 0.528 nan 8.230 nan 0.000 0.622 139 K N -0.310 120.152 120.400 0.104 0.000 2.489 139 K HA 0.396 4.717 4.320 0.002 0.000 0.278 139 K C 1.043 177.675 176.600 0.053 0.000 1.000 139 K CA 0.653 56.983 56.287 0.072 0.000 1.012 139 K CB -0.078 32.460 32.500 0.063 0.000 0.903 139 K HN 0.180 nan 8.250 nan 0.000 0.485 140 G N 2.027 110.852 108.800 0.042 0.000 2.155 140 G HA2 -0.306 3.656 3.960 0.002 0.000 0.257 140 G HA3 -0.306 3.656 3.960 0.002 0.000 0.257 140 G C 0.242 175.156 174.900 0.023 0.000 0.983 140 G CA 0.664 45.781 45.100 0.028 0.000 0.676 140 G HN 0.807 nan 8.290 nan 0.000 0.528 141 E N -0.901 119.318 120.200 0.033 0.000 2.673 141 E HA 0.020 4.371 4.350 0.002 0.000 0.215 141 E C 1.753 178.376 176.600 0.038 0.000 0.935 141 E CA 0.258 56.673 56.400 0.025 0.000 1.341 141 E CB -0.099 29.609 29.700 0.014 0.000 1.277 141 E HN 0.407 nan 8.360 nan 0.000 0.667 142 N N 0.583 119.315 118.700 0.053 0.000 2.457 142 N HA -0.017 4.724 4.740 0.002 0.000 0.180 142 N C 0.394 175.923 175.510 0.032 0.000 1.050 142 N CA 0.409 53.492 53.050 0.056 0.000 0.906 142 N CB 0.265 38.795 38.487 0.072 0.000 0.968 142 N HN -0.169 nan 8.380 nan 0.000 0.445 143 S N 0.492 116.208 115.700 0.027 0.000 2.578 143 S HA 0.590 5.062 4.470 0.002 0.000 0.283 143 S C -0.249 174.357 174.600 0.010 0.000 1.195 143 S CA -0.706 57.506 58.200 0.020 0.000 1.050 143 S CB 1.610 64.824 63.200 0.023 0.000 1.012 143 S HN 0.290 nan 8.310 nan 0.000 0.511 144 I N 1.485 122.059 120.570 0.006 0.000 2.894 144 I HA 0.440 4.611 4.170 0.002 0.000 0.302 144 I C -1.171 174.948 176.117 0.003 0.000 1.188 144 I CA -0.714 60.586 61.300 -0.001 0.000 1.014 144 I CB 1.944 39.936 38.000 -0.012 0.000 1.242 144 I HN 0.446 nan 8.210 nan 0.000 0.430 145 K N 5.816 126.216 120.400 -0.000 0.000 2.235 145 K HA 0.579 4.900 4.320 0.002 0.000 0.266 145 K C -1.737 174.861 176.600 -0.003 0.000 0.980 145 K CA -0.528 55.760 56.287 0.003 0.000 0.849 145 K CB 1.597 34.100 32.500 0.004 0.000 1.098 145 K HN 0.419 nan 8.250 nan 0.000 0.445 146 V N 5.236 125.150 119.914 0.001 0.000 2.311 146 V HA 0.042 4.163 4.120 0.002 0.000 0.275 146 V C 0.469 176.562 176.094 -0.002 0.000 1.022 146 V CA -0.576 61.720 62.300 -0.007 0.000 0.830 146 V CB 1.121 32.941 31.823 -0.005 0.000 1.012 146 V HN 0.887 nan 8.190 nan 0.000 0.452 147 D N 2.076 122.471 120.400 -0.007 0.000 2.092 147 D HA -0.118 4.523 4.640 0.002 0.000 0.193 147 D C 0.877 177.176 176.300 -0.001 0.000 0.994 147 D CA 1.638 55.636 54.000 -0.002 0.000 0.828 147 D CB 0.280 41.077 40.800 -0.005 0.000 0.963 147 D HN 0.574 nan 8.370 nan 0.000 0.450 148 D N 0.297 120.692 120.400 -0.009 0.000 2.434 148 D HA 0.147 4.789 4.640 0.002 0.000 0.275 148 D C -2.627 173.663 176.300 -0.016 0.000 1.172 148 D CA -1.872 52.124 54.000 -0.007 0.000 0.916 148 D CB 1.390 42.185 40.800 -0.009 0.000 1.041 148 D HN -0.042 nan 8.370 nan 0.000 0.501 149 P HA 0.021 nan 4.420 nan 0.000 0.262 149 P C -0.255 177.038 177.300 -0.011 0.000 1.199 149 P CA 0.211 63.328 63.100 0.028 0.000 0.763 149 P CB 0.633 32.420 31.700 0.144 0.000 0.790 150 T N -0.023 114.373 114.554 -0.265 0.000 2.821 150 T HA 0.183 4.534 4.350 0.002 0.000 0.306 150 T C 0.538 174.688 174.700 -0.916 0.000 1.313 150 T CA -0.632 61.234 62.100 -0.390 0.000 1.012 150 T CB 0.766 69.538 68.868 -0.160 0.000 1.298 150 T HN 0.241 nan 8.240 nan 0.000 0.502 151 Y N 2.002 121.754 120.300 -0.914 0.000 2.053 151 Y HA -0.001 4.550 4.550 0.002 0.000 0.277 151 Y C 2.423 178.090 175.900 -0.389 0.000 1.159 151 Y CA 2.710 60.378 58.100 -0.721 0.000 1.125 151 Y CB -1.006 37.318 38.460 -0.225 0.000 0.969 151 Y HN 0.847 nan 8.280 nan 0.000 0.492 152 G N 0.394 108.972 108.800 -0.369 0.000 2.432 152 G HA2 -0.218 3.744 3.960 0.002 0.000 0.219 152 G HA3 -0.218 3.744 3.960 0.002 0.000 0.219 152 G C 1.782 176.490 174.900 -0.320 0.000 1.135 152 G CA 0.801 45.689 45.100 -0.354 0.000 0.767 152 G HN 0.243 nan 8.290 nan 0.000 0.550 153 K N 0.214 120.444 120.400 -0.284 0.000 2.025 153 K HA 0.032 4.353 4.320 0.002 0.000 0.207 153 K C 2.705 179.171 176.600 -0.223 0.000 1.049 153 K CA 0.753 56.914 56.287 -0.209 0.000 0.933 153 K CB -0.665 31.740 32.500 -0.159 0.000 0.714 153 K HN 0.248 nan 8.250 nan 0.000 0.438 154 V N 1.244 120.976 119.914 -0.303 0.000 2.358 154 V HA -0.208 3.914 4.120 0.002 0.000 0.246 154 V C 2.295 178.263 176.094 -0.209 0.000 1.047 154 V CA 1.712 63.894 62.300 -0.198 0.000 1.035 154 V CB -0.448 31.301 31.823 -0.123 0.000 0.658 154 V HN 0.249 nan 8.190 nan 0.000 0.452 155 S N 0.895 116.383 115.700 -0.353 0.000 2.359 155 S HA -0.214 4.257 4.470 0.002 0.000 0.223 155 S C 2.120 176.581 174.600 -0.232 0.000 1.039 155 S CA 1.672 59.667 58.200 -0.343 0.000 1.042 155 S CB -0.979 61.885 63.200 -0.560 0.000 0.915 155 S HN 0.697 nan 8.310 nan 0.000 0.439 156 G N 1.167 109.840 108.800 -0.212 0.000 2.450 156 G HA2 -0.077 3.884 3.960 0.002 0.000 0.220 156 G HA3 -0.077 3.884 3.960 0.002 0.000 0.220 156 G C 1.492 176.322 174.900 -0.116 0.000 1.130 156 G CA 1.070 46.083 45.100 -0.144 0.000 0.760 156 G HN 0.595 nan 8.290 nan 0.000 0.557 157 A N 1.096 123.847 122.820 -0.116 0.000 1.841 157 A HA 0.034 4.355 4.320 0.002 0.000 0.214 157 A C 2.385 179.911 177.584 -0.096 0.000 1.195 157 A CA 1.331 53.317 52.037 -0.086 0.000 0.611 157 A CB -0.429 18.530 19.000 -0.067 0.000 0.835 157 A HN 0.342 nan 8.150 nan 0.000 0.443 158 I N -0.054 120.443 120.570 -0.121 0.000 2.113 158 I HA -0.346 3.826 4.170 0.002 0.000 0.242 158 I C 2.136 178.152 176.117 -0.168 0.000 1.064 158 I CA 2.135 63.336 61.300 -0.165 0.000 1.320 158 I CB -0.954 36.916 38.000 -0.217 0.000 1.028 158 I HN 0.296 nan 8.210 nan 0.000 0.406 159 D N 0.679 120.990 120.400 -0.148 0.000 2.149 159 D HA -0.221 4.420 4.640 0.002 0.000 0.194 159 D C 2.129 178.381 176.300 -0.080 0.000 1.001 159 D CA 1.452 55.384 54.000 -0.113 0.000 0.849 159 D CB -0.110 40.631 40.800 -0.099 0.000 0.939 159 D HN 0.395 nan 8.370 nan 0.000 0.449 160 E N -0.216 119.940 120.200 -0.073 0.000 2.023 160 E HA -0.162 4.189 4.350 0.002 0.000 0.196 160 E C 2.374 178.952 176.600 -0.036 0.000 1.003 160 E CA 0.590 56.961 56.400 -0.048 0.000 0.809 160 E CB -0.173 29.499 29.700 -0.046 0.000 0.755 160 E HN 0.264 nan 8.360 nan 0.000 0.449 161 L N 0.621 121.811 121.223 -0.054 0.000 1.997 161 L HA -0.278 4.063 4.340 0.002 0.000 0.216 161 L C 2.572 179.437 176.870 -0.009 0.000 1.074 161 L CA 1.150 55.967 54.840 -0.039 0.000 0.763 161 L CB -0.729 41.281 42.059 -0.082 0.000 0.890 161 L HN 0.108 nan 8.230 nan 0.000 0.434 162 V N -0.763 119.104 119.914 -0.078 0.000 2.287 162 V HA -0.307 3.814 4.120 0.002 0.000 0.248 162 V C 2.550 178.709 176.094 0.109 0.000 1.053 162 V CA 2.200 64.477 62.300 -0.039 0.000 1.027 162 V CB -0.559 31.196 31.823 -0.114 0.000 0.646 162 V HN 0.410 nan 8.190 nan 0.000 0.447 163 S N -0.712 115.021 115.700 0.055 0.000 2.382 163 S HA -0.249 4.222 4.470 0.002 0.000 0.228 163 S C 2.000 176.647 174.600 0.080 0.000 1.027 163 S CA 1.746 59.986 58.200 0.068 0.000 0.991 163 S CB -0.337 62.875 63.200 0.020 0.000 0.823 163 S HN 0.623 nan 8.310 nan 0.000 0.469 164 K N -0.253 120.186 120.400 0.064 0.000 2.147 164 K HA -0.175 4.146 4.320 0.002 0.000 0.205 164 K C 1.897 178.537 176.600 0.068 0.000 1.049 164 K CA 1.262 57.572 56.287 0.037 0.000 0.936 164 K CB -0.189 32.328 32.500 0.027 0.000 0.722 164 K HN 0.513 nan 8.250 nan 0.000 0.446 165 W N 1.689 122.985 121.300 -0.006 0.000 2.413 165 W HA -0.088 4.573 4.660 0.001 0.000 0.315 165 W C 1.704 178.279 176.519 0.094 0.000 1.186 165 W CA 1.186 58.576 57.345 0.076 0.000 1.326 165 W CB -0.264 29.261 29.460 0.109 0.000 1.153 165 W HN 0.081 nan 8.180 nan 0.000 0.489 166 N N 0.777 119.788 118.700 0.517 0.000 2.334 166 N HA -0.217 4.524 4.740 0.002 0.000 0.187 166 N C 1.381 176.941 175.510 0.085 0.000 1.016 166 N CA 1.798 55.069 53.050 0.367 0.000 0.879 166 N CB -0.326 38.326 38.487 0.275 0.000 0.965 166 N HN 0.348 nan 8.380 nan 0.000 0.438 167 E N 1.241 121.436 120.200 -0.008 0.000 2.030 167 E HA -0.031 4.320 4.350 0.002 0.000 0.189 167 E C 1.804 178.267 176.600 -0.229 0.000 0.974 167 E CA 1.116 57.462 56.400 -0.090 0.000 0.807 167 E CB -0.186 29.467 29.700 -0.078 0.000 0.771 167 E HN 0.138 nan 8.360 nan 0.000 0.451 168 K N -1.177 118.984 120.400 -0.398 0.000 2.152 168 K HA -0.129 4.192 4.320 0.002 0.000 0.206 168 K C -0.240 175.794 176.600 -0.944 0.000 1.048 168 K CA 1.067 56.917 56.287 -0.727 0.000 0.933 168 K CB -0.055 31.829 32.500 -1.026 0.000 0.721 168 K HN 0.188 nan 8.250 nan 0.000 0.447 169 Y N -0.110 119.906 120.300 -0.474 0.000 2.555 169 Y HA 0.215 4.767 4.550 0.002 0.000 0.326 169 Y C 0.510 176.265 175.900 -0.241 0.000 0.984 169 Y CA -0.907 56.899 58.100 -0.491 0.000 1.298 169 Y CB 1.936 39.773 38.460 -1.039 0.000 1.094 169 Y HN -0.061 nan 8.280 nan 0.000 0.500 170 S N -0.268 115.420 115.700 -0.021 0.000 2.486 170 S HA -0.101 4.370 4.470 0.002 0.000 0.220 170 S C 1.843 176.484 174.600 0.068 0.000 1.011 170 S CA 0.661 58.880 58.200 0.030 0.000 0.921 170 S CB 0.131 63.328 63.200 -0.005 0.000 0.785 170 S HN 0.638 nan 8.310 nan 0.000 0.517 171 S N 1.502 117.234 115.700 0.052 0.000 2.353 171 S HA -0.045 4.426 4.470 0.002 0.000 0.222 171 S C 0.987 175.632 174.600 0.075 0.000 1.035 171 S CA 1.077 59.308 58.200 0.051 0.000 1.025 171 S CB -0.283 62.934 63.200 0.028 0.000 0.902 171 S HN 0.435 nan 8.310 nan 0.000 0.440 172 T N 0.784 115.388 114.554 0.084 0.000 2.887 172 T HA 0.498 4.850 4.350 0.002 0.000 0.288 172 T C -0.081 174.726 174.700 0.177 0.000 1.021 172 T CA -0.625 61.506 62.100 0.052 0.000 1.000 172 T CB 1.473 70.330 68.868 -0.019 0.000 1.034 172 T HN 0.630 nan 8.240 nan 0.000 0.467 173 H N -1.310 117.813 119.070 0.088 0.000 2.662 173 H HA 0.463 5.021 4.556 0.002 0.000 0.268 173 H C 0.199 175.480 175.328 -0.078 0.000 1.152 173 H CA -0.561 55.546 56.048 0.100 0.000 1.072 173 H CB 0.108 29.916 29.762 0.076 0.000 1.660 173 H HN 0.493 nan 8.280 nan 0.000 0.584 174 T N -0.276 114.068 114.554 -0.351 0.000 2.881 174 T HA 0.645 4.996 4.350 0.002 0.000 0.290 174 T C -0.807 173.605 174.700 -0.479 0.000 1.000 174 T CA -0.800 61.025 62.100 -0.459 0.000 0.978 174 T CB 1.846 70.459 68.868 -0.425 0.000 0.997 174 T HN 0.238 nan 8.240 nan 0.000 0.443 175 L N 2.710 123.455 121.223 -0.797 0.000 2.309 175 L HA 0.679 5.020 4.340 0.002 0.000 0.261 175 L C -2.606 173.962 176.870 -0.505 0.000 1.021 175 L CA -3.072 51.393 54.840 -0.626 0.000 0.823 175 L CB 2.555 44.203 42.059 -0.686 0.000 1.366 175 L HN 0.421 nan 8.230 nan 0.000 0.423 176 P HA 0.202 nan 4.420 nan 0.000 0.276 176 P C -1.018 176.380 177.300 0.163 0.000 1.230 176 P CA -0.255 62.831 63.100 -0.024 0.000 0.776 176 P CB 0.963 32.664 31.700 0.002 0.000 0.888 177 A N 4.156 127.125 122.820 0.249 0.000 2.302 177 A HA 0.410 4.731 4.320 0.002 0.000 0.285 177 A C 0.093 177.817 177.584 0.233 0.000 1.105 177 A CA -0.630 51.644 52.037 0.393 0.000 0.816 177 A CB 0.297 19.556 19.000 0.431 0.000 1.067 177 A HN 0.452 nan 8.150 nan 0.000 0.489 178 R N 1.500 122.121 120.500 0.202 0.000 2.287 178 R HA 0.321 4.662 4.340 0.002 0.000 0.327 178 R C -0.685 175.675 176.300 0.099 0.000 1.109 178 R CA -0.082 56.093 56.100 0.125 0.000 1.013 178 R CB 0.577 30.936 30.300 0.098 0.000 1.126 178 R HN 0.686 nan 8.270 nan 0.000 0.503 179 T N 2.676 117.297 114.554 0.112 0.000 2.897 179 T HA 0.149 4.500 4.350 0.002 0.000 0.294 179 T C 0.114 174.866 174.700 0.086 0.000 1.004 179 T CA -0.316 61.855 62.100 0.118 0.000 1.106 179 T CB 1.205 70.185 68.868 0.187 0.000 0.949 179 T HN 0.406 nan 8.240 nan 0.000 0.520 180 Q N 1.637 121.467 119.800 0.050 0.000 2.320 180 Q HA 0.306 4.647 4.340 0.002 0.000 0.268 180 Q C -1.520 174.458 176.000 -0.035 0.000 1.023 180 Q CA -0.648 55.163 55.803 0.013 0.000 0.744 180 Q CB 1.919 30.641 28.738 -0.027 0.000 1.246 180 Q HN 0.729 nan 8.270 nan 0.000 0.462 181 Y N 1.539 121.737 120.300 -0.170 0.000 2.299 181 Y HA 0.406 4.957 4.550 0.002 0.000 0.326 181 Y C -0.621 175.138 175.900 -0.236 0.000 1.164 181 Y CA 0.297 58.203 58.100 -0.322 0.000 1.234 181 Y CB 1.027 39.309 38.460 -0.297 0.000 1.219 181 Y HN 0.491 nan 8.280 nan 0.000 0.497 182 S N 4.873 120.016 115.700 -0.928 0.000 2.546 182 S HA 0.490 4.961 4.470 0.002 0.000 0.274 182 S C -1.537 172.555 174.600 -0.847 0.000 1.121 182 S CA -1.081 56.752 58.200 -0.610 0.000 0.887 182 S CB 2.054 65.050 63.200 -0.339 0.000 1.094 182 S HN 0.731 nan 8.310 nan 0.000 0.474 183 E N 0.142 120.087 120.200 -0.425 0.000 2.412 183 E HA 0.758 5.109 4.350 0.002 0.000 0.279 183 E C -1.452 175.085 176.600 -0.106 0.000 0.984 183 E CA -0.755 55.483 56.400 -0.270 0.000 0.788 183 E CB 1.995 31.624 29.700 -0.119 0.000 1.277 183 E HN 0.578 nan 8.360 nan 0.000 0.455 184 S N 2.211 117.866 115.700 -0.075 0.000 2.680 184 S HA 0.321 4.792 4.470 0.002 0.000 0.284 184 S C -1.221 173.314 174.600 -0.109 0.000 1.055 184 S CA -0.878 57.283 58.200 -0.064 0.000 0.849 184 S CB 0.931 64.087 63.200 -0.074 0.000 1.068 184 S HN 0.530 nan 8.310 nan 0.000 0.453 185 M N 2.951 122.449 119.600 -0.171 0.000 2.255 185 M HA 0.383 4.864 4.480 0.002 0.000 0.336 185 M C -0.222 175.727 176.300 -0.584 0.000 1.135 185 M CA -0.463 54.629 55.300 -0.346 0.000 1.145 185 M CB 0.832 33.166 32.600 -0.444 0.000 1.473 185 M HN 0.536 nan 8.290 nan 0.000 0.462 186 V N 3.322 122.914 119.914 -0.537 0.000 2.383 186 V HA 0.176 4.297 4.120 0.002 0.000 0.275 186 V C -0.083 175.702 176.094 -0.516 0.000 1.036 186 V CA -0.197 61.837 62.300 -0.444 0.000 0.889 186 V CB 0.180 31.816 31.823 -0.312 0.000 0.985 186 V HN 0.788 nan 8.190 nan 0.000 0.459 187 Y N 2.192 122.450 120.300 -0.069 0.000 2.607 187 Y HA 0.274 4.825 4.550 0.002 0.000 0.276 187 Y C 1.302 177.243 175.900 0.068 0.000 1.117 187 Y CA 0.403 58.490 58.100 -0.022 0.000 1.273 187 Y CB 0.977 39.377 38.460 -0.101 0.000 1.282 187 Y HN 0.738 nan 8.280 nan 0.000 0.514 188 S N -1.498 114.337 115.700 0.225 0.000 2.615 188 S HA 0.326 4.797 4.470 0.002 0.000 0.269 188 S C -0.149 174.585 174.600 0.222 0.000 1.161 188 S CA -1.048 57.301 58.200 0.248 0.000 0.817 188 S CB 2.194 65.492 63.200 0.164 0.000 1.131 188 S HN 0.023 nan 8.310 nan 0.000 0.467 189 K N 1.037 121.402 120.400 -0.058 0.000 1.991 189 K HA -0.114 4.207 4.320 0.002 0.000 0.212 189 K C 2.397 178.903 176.600 -0.158 0.000 1.049 189 K CA 2.139 58.160 56.287 -0.443 0.000 0.932 189 K CB -0.562 31.529 32.500 -0.683 0.000 0.717 189 K HN 0.766 nan 8.250 nan 0.000 0.441 190 S N 1.213 116.856 115.700 -0.096 0.000 2.399 190 S HA -0.215 4.256 4.470 0.002 0.000 0.231 190 S C 2.062 176.656 174.600 -0.009 0.000 1.022 190 S CA 1.004 59.177 58.200 -0.045 0.000 0.983 190 S CB -0.277 62.912 63.200 -0.018 0.000 0.803 190 S HN 0.284 nan 8.310 nan 0.000 0.480 191 Q N 1.236 121.040 119.800 0.008 0.000 1.942 191 Q HA -0.140 4.201 4.340 0.002 0.000 0.203 191 Q C 2.194 178.166 176.000 -0.047 0.000 0.987 191 Q CA 1.724 57.506 55.803 -0.036 0.000 0.844 191 Q CB -0.522 28.131 28.738 -0.141 0.000 0.911 191 Q HN 0.537 nan 8.270 nan 0.000 0.423 192 I N 1.263 121.824 120.570 -0.015 0.000 2.208 192 I HA -0.244 3.927 4.170 0.002 0.000 0.245 192 I C 2.628 178.746 176.117 0.001 0.000 1.097 192 I CA 2.000 63.295 61.300 -0.007 0.000 1.363 192 I CB -0.845 37.191 38.000 0.059 0.000 1.051 192 I HN 0.334 nan 8.210 nan 0.000 0.413 193 S N -0.415 115.288 115.700 0.006 0.000 2.374 193 S HA -0.243 4.228 4.470 0.002 0.000 0.227 193 S C 2.324 176.909 174.600 -0.025 0.000 1.037 193 S CA 2.454 60.641 58.200 -0.021 0.000 1.024 193 S CB -0.822 62.346 63.200 -0.054 0.000 0.861 193 S HN 0.725 nan 8.310 nan 0.000 0.456 194 S N 0.997 116.683 115.700 -0.022 0.000 2.425 194 S HA 0.282 4.753 4.470 0.002 0.000 0.225 194 S C 2.144 176.732 174.600 -0.021 0.000 1.024 194 S CA 0.874 59.062 58.200 -0.020 0.000 0.951 194 S CB -0.824 62.374 63.200 -0.005 0.000 0.796 194 S HN 0.746 nan 8.310 nan 0.000 0.498 195 A N 2.194 125.000 122.820 -0.023 0.000 1.865 195 A HA 0.114 4.435 4.320 0.002 0.000 0.217 195 A C 2.194 179.756 177.584 -0.037 0.000 1.191 195 A CA 1.648 53.668 52.037 -0.028 0.000 0.623 195 A CB -0.857 18.116 19.000 -0.045 0.000 0.826 195 A HN 0.596 nan 8.150 nan 0.000 0.444 196 L N -1.113 120.090 121.223 -0.034 0.000 2.592 196 L HA 0.141 4.483 4.340 0.002 0.000 0.227 196 L C 0.765 177.623 176.870 -0.019 0.000 1.127 196 L CA 0.353 55.175 54.840 -0.031 0.000 0.884 196 L CB -0.593 41.468 42.059 0.003 0.000 1.065 196 L HN 0.682 nan 8.230 nan 0.000 0.457 197 N N 1.184 119.868 118.700 -0.027 0.000 2.714 197 N HA -0.167 4.575 4.740 0.002 0.000 0.253 197 N C -0.660 174.837 175.510 -0.021 0.000 1.024 197 N CA 0.216 53.243 53.050 -0.038 0.000 0.726 197 N CB -0.335 38.117 38.487 -0.058 0.000 0.908 197 N HN 0.228 nan 8.380 nan 0.000 0.542 198 V N -1.688 118.220 119.914 -0.010 0.000 3.007 198 V HA 0.522 4.643 4.120 0.002 0.000 0.311 198 V C 0.135 176.202 176.094 -0.045 0.000 1.120 198 V CA -1.266 61.031 62.300 -0.005 0.000 0.980 198 V CB 1.789 33.626 31.823 0.024 0.000 1.033 198 V HN 0.260 nan 8.190 nan 0.000 0.429 199 N N 1.620 120.286 118.700 -0.058 0.000 2.475 199 N HA 0.185 4.926 4.740 0.002 0.000 0.267 199 N C 1.333 176.790 175.510 -0.089 0.000 1.169 199 N CA 0.667 53.675 53.050 -0.070 0.000 0.947 199 N CB 1.933 40.382 38.487 -0.064 0.000 1.061 199 N HN 1.069 nan 8.380 nan 0.000 0.466 200 A N 5.732 128.494 122.820 -0.096 0.000 1.903 200 A HA -0.228 4.093 4.320 0.002 0.000 0.219 200 A C 2.001 179.527 177.584 -0.096 0.000 1.191 200 A CA 1.402 53.368 52.037 -0.119 0.000 0.638 200 A CB -0.245 18.611 19.000 -0.240 0.000 0.823 200 A HN 0.719 nan 8.150 nan 0.000 0.451 201 K N -0.285 120.054 120.400 -0.102 0.000 2.063 201 K HA -0.098 4.223 4.320 0.002 0.000 0.208 201 K C 1.984 178.542 176.600 -0.069 0.000 1.048 201 K CA 1.311 57.553 56.287 -0.075 0.000 0.928 201 K CB -1.462 30.994 32.500 -0.072 0.000 0.713 201 K HN 0.367 nan 8.250 nan 0.000 0.442 202 V N 2.210 122.064 119.914 -0.099 0.000 2.250 202 V HA -0.288 3.833 4.120 0.002 0.000 0.250 202 V C 2.469 178.450 176.094 -0.187 0.000 1.060 202 V CA 1.904 64.118 62.300 -0.144 0.000 1.030 202 V CB -0.630 31.081 31.823 -0.187 0.000 0.643 202 V HN 0.186 nan 8.190 nan 0.000 0.445 203 L N -0.429 120.675 121.223 -0.198 0.000 1.994 203 L HA -0.211 4.131 4.340 0.002 0.000 0.208 203 L C 2.573 179.413 176.870 -0.050 0.000 1.071 203 L CA 2.183 56.911 54.840 -0.186 0.000 0.745 203 L CB -0.869 41.128 42.059 -0.103 0.000 0.892 203 L HN 0.364 nan 8.230 nan 0.000 0.431 204 E N 0.496 120.745 120.200 0.082 0.000 2.130 204 E HA -0.255 4.096 4.350 0.002 0.000 0.196 204 E C 1.810 178.425 176.600 0.026 0.000 0.998 204 E CA 1.746 58.229 56.400 0.137 0.000 0.806 204 E CB 0.126 29.933 29.700 0.178 0.000 0.738 204 E HN 0.438 nan 8.360 nan 0.000 0.459 205 N N -0.663 118.025 118.700 -0.020 0.000 2.176 205 N HA -0.032 4.709 4.740 0.002 0.000 0.187 205 N C 1.821 177.302 175.510 -0.049 0.000 1.043 205 N CA 1.561 54.590 53.050 -0.036 0.000 0.851 205 N CB -0.190 38.268 38.487 -0.048 0.000 1.018 205 N HN -0.012 nan 8.380 nan 0.000 0.436 206 S N 0.598 116.253 115.700 -0.074 0.000 2.345 206 S HA 0.008 4.479 4.470 0.002 0.000 0.220 206 S C 1.913 176.477 174.600 -0.060 0.000 1.031 206 S CA 0.836 58.993 58.200 -0.070 0.000 0.996 206 S CB -0.407 62.741 63.200 -0.087 0.000 0.882 206 S HN 0.196 nan 8.310 nan 0.000 0.445 207 L N 1.002 122.175 121.223 -0.083 0.000 2.492 207 L HA 0.174 4.516 4.340 0.002 0.000 0.223 207 L C 1.261 178.093 176.870 -0.064 0.000 1.132 207 L CA 0.235 55.034 54.840 -0.067 0.000 0.850 207 L CB -0.878 41.126 42.059 -0.091 0.000 0.966 207 L HN 0.548 nan 8.230 nan 0.000 0.454 208 G N 1.520 110.288 108.800 -0.054 0.000 2.374 208 G HA2 -0.227 3.734 3.960 0.002 0.000 0.289 208 G HA3 -0.227 3.734 3.960 0.002 0.000 0.289 208 G C -0.186 174.670 174.900 -0.073 0.000 1.004 208 G CA -0.095 44.980 45.100 -0.042 0.000 1.292 208 G HN 0.081 nan 8.290 nan 0.000 0.502 209 V N 1.745 121.602 119.914 -0.095 0.000 2.461 209 V HA 0.250 4.371 4.120 0.002 0.000 0.275 209 V C 0.698 176.662 176.094 -0.216 0.000 1.047 209 V CA -0.332 61.806 62.300 -0.270 0.000 0.955 209 V CB 1.776 33.249 31.823 -0.584 0.000 0.988 209 V HN 0.564 nan 8.190 nan 0.000 0.471 210 D N 4.266 124.543 120.400 -0.205 0.000 2.558 210 D HA 0.137 4.778 4.640 0.002 0.000 0.221 210 D C 0.937 177.175 176.300 -0.103 0.000 1.143 210 D CA -0.191 53.757 54.000 -0.086 0.000 1.010 210 D CB -0.038 40.725 40.800 -0.062 0.000 1.068 210 D HN 0.452 nan 8.370 nan 0.000 0.511 211 F N 1.297 121.233 119.950 -0.023 0.000 2.287 211 F HA -0.179 4.349 4.527 0.002 0.000 0.301 211 F C 2.081 177.879 175.800 -0.003 0.000 1.069 211 F CA 0.659 58.649 58.000 -0.017 0.000 1.372 211 F CB -0.164 38.824 39.000 -0.021 0.000 1.056 211 F HN 0.276 nan 8.300 nan 0.000 0.523 212 N N 0.169 118.956 118.700 0.145 0.000 2.124 212 N HA -0.072 4.669 4.740 0.002 0.000 0.188 212 N C 2.077 177.619 175.510 0.054 0.000 1.045 212 N CA 1.425 54.530 53.050 0.091 0.000 0.846 212 N CB -0.727 37.800 38.487 0.066 0.000 1.020 212 N HN 0.106 nan 8.380 nan 0.000 0.432 213 A N 0.427 123.262 122.820 0.025 0.000 1.903 213 A HA -0.187 4.134 4.320 0.002 0.000 0.219 213 A C 2.423 180.013 177.584 0.010 0.000 1.191 213 A CA 1.942 53.985 52.037 0.009 0.000 0.638 213 A CB -1.206 17.788 19.000 -0.010 0.000 0.823 213 A HN 0.170 nan 8.150 nan 0.000 0.451 214 V N -0.331 119.579 119.914 -0.007 0.000 2.252 214 V HA -0.331 3.791 4.120 0.002 0.000 0.249 214 V C 3.082 179.206 176.094 0.051 0.000 1.056 214 V CA 2.337 64.633 62.300 -0.007 0.000 1.022 214 V CB -1.345 30.437 31.823 -0.068 0.000 0.641 214 V HN 0.690 nan 8.190 nan 0.000 0.445 215 A N 0.545 123.411 122.820 0.078 0.000 1.883 215 A HA -0.233 4.088 4.320 0.002 0.000 0.217 215 A C 1.809 179.435 177.584 0.070 0.000 1.186 215 A CA 2.136 54.230 52.037 0.094 0.000 0.624 215 A CB -0.722 18.337 19.000 0.100 0.000 0.822 215 A HN 0.634 nan 8.150 nan 0.000 0.444 216 N N 0.533 119.264 118.700 0.052 0.000 2.515 216 N HA -0.069 4.672 4.740 0.002 0.000 0.191 216 N C 0.277 175.807 175.510 0.033 0.000 1.182 216 N CA 0.599 53.672 53.050 0.038 0.000 0.879 216 N CB -0.559 37.945 38.487 0.028 0.000 0.984 216 N HN 0.527 nan 8.380 nan 0.000 0.453 217 N N 1.117 119.842 118.700 0.041 0.000 2.725 217 N HA -0.198 4.544 4.740 0.002 0.000 0.251 217 N C -0.436 175.086 175.510 0.020 0.000 1.031 217 N CA 0.603 53.675 53.050 0.037 0.000 0.720 217 N CB -0.808 37.703 38.487 0.040 0.000 0.930 217 N HN 0.530 nan 8.380 nan 0.000 0.543 218 E N -0.602 119.606 120.200 0.013 0.000 2.489 218 E HA 0.195 4.546 4.350 0.002 0.000 0.204 218 E C 0.010 176.609 176.600 -0.002 0.000 1.006 218 E CA 0.171 56.573 56.400 0.005 0.000 0.936 218 E CB 0.674 30.377 29.700 0.004 0.000 1.002 218 E HN 0.282 nan 8.360 nan 0.000 0.488 219 K N 0.826 121.224 120.400 -0.003 0.000 2.502 219 K HA 0.330 4.651 4.320 0.002 0.000 0.257 219 K C -1.193 175.404 176.600 -0.005 0.000 0.938 219 K CA -0.789 55.493 56.287 -0.009 0.000 0.819 219 K CB 1.832 34.316 32.500 -0.027 0.000 1.333 219 K HN -0.233 nan 8.250 nan 0.000 0.434 220 K N 2.374 122.781 120.400 0.012 0.000 2.394 220 K HA 0.437 4.758 4.320 0.002 0.000 0.260 220 K C -1.042 175.613 176.600 0.092 0.000 0.967 220 K CA -0.673 55.627 56.287 0.022 0.000 0.855 220 K CB 1.852 34.346 32.500 -0.010 0.000 1.101 220 K HN 0.291 nan 8.250 nan 0.000 0.433 221 V N 3.537 123.467 119.914 0.027 0.000 2.656 221 V HA 0.516 4.637 4.120 0.002 0.000 0.307 221 V C -0.352 175.744 176.094 0.004 0.000 1.051 221 V CA -0.922 61.391 62.300 0.022 0.000 0.893 221 V CB 2.166 33.917 31.823 -0.119 0.000 0.999 221 V HN 0.747 nan 8.190 nan 0.000 0.426 222 M N 5.245 124.872 119.600 0.044 0.000 2.326 222 M HA 0.664 5.145 4.480 0.002 0.000 0.306 222 M C -1.848 174.421 176.300 -0.052 0.000 1.054 222 M CA -0.455 54.852 55.300 0.011 0.000 0.922 222 M CB 1.763 34.459 32.600 0.160 0.000 1.632 222 M HN 0.575 nan 8.290 nan 0.000 0.436 223 I N 5.678 126.212 120.570 -0.059 0.000 2.474 223 I HA 0.478 4.649 4.170 0.002 0.000 0.294 223 I C -1.045 175.040 176.117 -0.054 0.000 1.005 223 I CA -0.918 60.360 61.300 -0.037 0.000 1.113 223 I CB 1.952 39.931 38.000 -0.036 0.000 1.289 223 I HN 0.665 nan 8.210 nan 0.000 0.436 224 L N 4.759 125.963 121.223 -0.032 0.000 2.342 224 L HA 0.867 5.209 4.340 0.002 0.000 0.271 224 L C -0.306 176.461 176.870 -0.172 0.000 1.008 224 L CA -0.816 53.907 54.840 -0.195 0.000 0.818 224 L CB 1.983 44.007 42.059 -0.058 0.000 1.296 224 L HN 0.650 nan 8.230 nan 0.000 0.427 225 A N 1.693 124.242 122.820 -0.452 0.000 2.385 225 A HA 0.667 4.989 4.320 0.002 0.000 0.290 225 A C -1.649 175.621 177.584 -0.524 0.000 1.094 225 A CA -0.320 51.472 52.037 -0.408 0.000 0.729 225 A CB 0.625 19.447 19.000 -0.296 0.000 1.194 225 A HN 0.574 nan 8.150 nan 0.000 0.442 226 Y N 2.074 122.190 120.300 -0.306 0.000 2.700 226 Y HA 0.298 4.849 4.550 0.002 0.000 0.333 226 Y C 0.747 176.530 175.900 -0.196 0.000 1.036 226 Y CA -0.161 57.842 58.100 -0.162 0.000 1.287 226 Y CB 1.053 39.468 38.460 -0.075 0.000 1.132 226 Y HN 0.662 nan 8.280 nan 0.000 0.510 227 K N 3.550 123.889 120.400 -0.102 0.000 2.383 227 K HA 0.160 4.481 4.320 0.002 0.000 0.286 227 K C -0.570 176.001 176.600 -0.047 0.000 1.051 227 K CA -0.095 56.122 56.287 -0.117 0.000 0.974 227 K CB 0.436 32.860 32.500 -0.128 0.000 0.968 227 K HN 0.635 nan 8.250 nan 0.000 0.475 228 Q N 5.211 124.970 119.800 -0.069 0.000 2.413 228 Q HA 0.294 4.635 4.340 0.002 0.000 0.258 228 Q C -0.702 175.203 176.000 -0.158 0.000 1.037 228 Q CA -0.493 55.304 55.803 -0.009 0.000 0.764 228 Q CB 1.351 30.153 28.738 0.107 0.000 1.217 228 Q HN 0.559 nan 8.270 nan 0.000 0.490 229 I N 2.253 122.762 120.570 -0.101 0.000 2.365 229 I HA 0.126 4.297 4.170 0.002 0.000 0.291 229 I C 0.335 176.421 176.117 -0.052 0.000 1.004 229 I CA -0.272 60.903 61.300 -0.208 0.000 1.311 229 I CB 0.506 38.437 38.000 -0.115 0.000 1.401 229 I HN 0.540 nan 8.210 nan 0.000 0.491 230 F N 5.028 124.658 119.950 -0.534 0.000 2.274 230 F HA 0.147 4.675 4.527 0.002 0.000 0.288 230 F C 0.510 176.019 175.800 -0.484 0.000 1.069 230 F CA -0.283 57.067 58.000 -1.084 0.000 1.343 230 F CB -0.537 37.252 39.000 -2.019 0.000 1.089 230 F HN 0.474 nan 8.300 nan 0.000 0.517 231 Y N -2.672 117.581 120.300 -0.080 0.000 2.750 231 Y HA 0.557 5.108 4.550 0.002 0.000 0.335 231 Y C -0.623 175.334 175.900 0.094 0.000 1.252 231 Y CA -1.662 56.446 58.100 0.013 0.000 1.064 231 Y CB 1.145 39.600 38.460 -0.009 0.000 1.321 231 Y HN -0.099 nan 8.280 nan 0.000 0.451 232 T N -0.951 113.881 114.554 0.464 0.000 2.864 232 T HA 0.819 5.170 4.350 0.002 0.000 0.299 232 T C -1.821 173.111 174.700 0.386 0.000 1.166 232 T CA -0.804 61.527 62.100 0.385 0.000 1.007 232 T CB 1.625 70.588 68.868 0.158 0.000 1.219 232 T HN 0.984 nan 8.240 nan 0.000 0.506 233 V N 1.953 122.088 119.914 0.368 0.000 2.638 233 V HA 0.790 4.911 4.120 0.002 0.000 0.306 233 V C -0.037 176.160 176.094 0.172 0.000 1.052 233 V CA -0.809 61.647 62.300 0.259 0.000 0.885 233 V CB 1.709 33.716 31.823 0.306 0.000 0.999 233 V HN 1.312 nan 8.190 nan 0.000 0.424 234 S N 2.585 118.353 115.700 0.114 0.000 2.600 234 S HA 0.943 5.414 4.470 0.002 0.000 0.300 234 S C -0.419 174.219 174.600 0.063 0.000 1.087 234 S CA -0.422 57.825 58.200 0.078 0.000 0.965 234 S CB 2.236 65.473 63.200 0.062 0.000 1.089 234 S HN 1.527 nan 8.310 nan 0.000 0.496 235 A N 1.745 124.592 122.820 0.045 0.000 2.285 235 A HA 0.583 4.904 4.320 0.002 0.000 0.310 235 A C -0.724 176.875 177.584 0.025 0.000 1.266 235 A CA -0.795 51.262 52.037 0.034 0.000 0.832 235 A CB 0.021 19.033 19.000 0.019 0.000 1.163 235 A HN 0.808 nan 8.150 nan 0.000 0.499 236 D N 1.943 122.360 120.400 0.028 0.000 2.648 236 D HA 0.021 4.662 4.640 0.002 0.000 0.229 236 D C 0.335 176.649 176.300 0.023 0.000 1.119 236 D CA 1.002 55.018 54.000 0.027 0.000 0.850 236 D CB 0.480 41.296 40.800 0.027 0.000 1.169 236 D HN 0.454 nan 8.370 nan 0.000 0.489 237 L N 4.337 125.577 121.223 0.027 0.000 2.380 237 L HA 0.231 4.572 4.340 0.002 0.000 0.273 237 L C -1.563 175.328 176.870 0.035 0.000 1.138 237 L CA -1.496 53.363 54.840 0.031 0.000 0.832 237 L CB 0.258 42.339 42.059 0.038 0.000 1.124 237 L HN 0.220 nan 8.230 nan 0.000 0.454 238 P HA 0.161 nan 4.420 nan 0.000 0.281 238 P C -0.096 177.238 177.300 0.057 0.000 1.249 238 P CA -0.703 62.425 63.100 0.047 0.000 0.810 238 P CB 1.559 33.289 31.700 0.051 0.000 1.008 239 K N 2.312 122.745 120.400 0.054 0.000 2.057 239 K HA -0.044 4.277 4.320 0.002 0.000 0.207 239 K C 0.370 177.009 176.600 0.066 0.000 1.049 239 K CA 1.511 57.830 56.287 0.054 0.000 0.931 239 K CB 0.025 32.552 32.500 0.046 0.000 0.714 239 K HN 0.428 nan 8.250 nan 0.000 0.440 240 N N -1.056 117.691 118.700 0.079 0.000 2.242 240 N HA 0.181 4.922 4.740 0.002 0.000 0.292 240 N C -2.508 173.089 175.510 0.144 0.000 1.125 240 N CA -1.699 51.410 53.050 0.098 0.000 0.783 240 N CB 2.004 40.539 38.487 0.080 0.000 1.558 240 N HN -0.249 nan 8.380 nan 0.000 0.472 241 P HA -0.266 nan 4.420 nan 0.000 0.219 241 P C 1.418 178.987 177.300 0.449 0.000 1.158 241 P CA 2.216 65.515 63.100 0.332 0.000 0.895 241 P CB 0.123 32.000 31.700 0.295 0.000 0.792 242 S N -0.619 115.254 115.700 0.288 0.000 2.380 242 S HA -0.262 4.209 4.470 0.002 0.000 0.229 242 S C 1.572 176.336 174.600 0.274 0.000 1.043 242 S CA 1.923 60.289 58.200 0.277 0.000 1.038 242 S CB -1.631 61.651 63.200 0.136 0.000 0.872 242 S HN 0.173 nan 8.310 nan 0.000 0.456 243 D N 1.613 122.121 120.400 0.181 0.000 2.311 243 D HA -0.008 4.633 4.640 0.002 0.000 0.212 243 D C 1.801 178.148 176.300 0.077 0.000 0.972 243 D CA 0.804 54.871 54.000 0.112 0.000 0.887 243 D CB -0.287 40.560 40.800 0.079 0.000 0.915 243 D HN 0.447 nan 8.370 nan 0.000 0.497 244 L N -0.762 120.503 121.223 0.070 0.000 2.145 244 L HA 0.033 4.375 4.340 0.002 0.000 0.201 244 L C 0.578 177.308 176.870 -0.232 0.000 1.075 244 L CA 0.383 55.117 54.840 -0.178 0.000 0.773 244 L CB -0.143 41.633 42.059 -0.471 0.000 0.936 244 L HN -0.118 nan 8.230 nan 0.000 0.451 245 F N -0.125 119.853 119.950 0.047 0.000 2.378 245 F HA 0.260 4.788 4.527 0.002 0.000 0.325 245 F C 0.591 176.415 175.800 0.039 0.000 1.097 245 F CA -1.368 56.658 58.000 0.044 0.000 1.079 245 F CB 0.090 39.118 39.000 0.047 0.000 1.240 245 F HN -0.158 nan 8.300 nan 0.000 0.519 246 D N 0.122 120.662 120.400 0.234 0.000 2.384 246 D HA 0.048 4.689 4.640 0.002 0.000 0.244 246 D C 0.735 177.115 176.300 0.134 0.000 1.251 246 D CA -0.027 54.057 54.000 0.140 0.000 0.961 246 D CB 0.663 41.524 40.800 0.102 0.000 1.116 246 D HN 0.448 nan 8.370 nan 0.000 0.484 247 D N -0.708 119.745 120.400 0.088 0.000 2.194 247 D HA -0.124 4.517 4.640 0.002 0.000 0.204 247 D C 1.867 178.200 176.300 0.055 0.000 0.964 247 D CA 0.919 54.960 54.000 0.068 0.000 0.846 247 D CB -0.391 40.440 40.800 0.051 0.000 0.962 247 D HN 0.419 nan 8.370 nan 0.000 0.490 248 S N 0.323 116.056 115.700 0.055 0.000 2.493 248 S HA -0.073 4.398 4.470 0.002 0.000 0.243 248 S C 1.051 175.676 174.600 0.042 0.000 0.991 248 S CA 0.158 58.384 58.200 0.044 0.000 0.957 248 S CB -0.441 62.785 63.200 0.043 0.000 0.756 248 S HN -0.045 nan 8.310 nan 0.000 0.521 249 V N 2.532 122.479 119.914 0.056 0.000 2.509 249 V HA 0.593 4.715 4.120 0.002 0.000 0.284 249 V C 0.583 176.670 176.094 -0.011 0.000 1.047 249 V CA -0.142 62.178 62.300 0.035 0.000 0.952 249 V CB 1.074 32.949 31.823 0.086 0.000 0.988 249 V HN 0.606 nan 8.190 nan 0.000 0.469 250 T N 0.804 115.340 114.554 -0.029 0.000 2.916 250 T HA 0.467 4.818 4.350 0.002 0.000 0.292 250 T C 0.503 175.184 174.700 -0.030 0.000 1.055 250 T CA -0.498 61.594 62.100 -0.013 0.000 1.009 250 T CB 1.388 70.267 68.868 0.017 0.000 1.118 250 T HN 0.340 nan 8.240 nan 0.000 0.497 251 F N 2.265 122.143 119.950 -0.121 0.000 2.154 251 F HA -0.107 4.421 4.527 0.002 0.000 0.301 251 F C 2.017 177.773 175.800 -0.073 0.000 1.087 251 F CA 1.813 59.741 58.000 -0.121 0.000 1.274 251 F CB -0.463 38.484 39.000 -0.089 0.000 1.009 251 F HN 0.619 nan 8.300 nan 0.000 0.485 252 N N 0.585 119.255 118.700 -0.050 0.000 2.272 252 N HA -0.186 4.555 4.740 0.002 0.000 0.185 252 N C 1.347 176.750 175.510 -0.179 0.000 1.014 252 N CA 1.519 54.502 53.050 -0.111 0.000 0.870 252 N CB -0.501 37.987 38.487 0.002 0.000 0.975 252 N HN 0.451 nan 8.380 nan 0.000 0.433 253 D N 1.383 121.693 120.400 -0.151 0.000 2.084 253 D HA -0.055 4.587 4.640 0.002 0.000 0.196 253 D C 2.305 178.499 176.300 -0.175 0.000 0.985 253 D CA 0.530 54.460 54.000 -0.117 0.000 0.826 253 D CB -0.313 40.448 40.800 -0.065 0.000 0.978 253 D HN 0.217 nan 8.370 nan 0.000 0.456 254 L N 0.793 121.854 121.223 -0.270 0.000 1.989 254 L HA -0.175 4.166 4.340 0.002 0.000 0.211 254 L C 2.555 179.192 176.870 -0.389 0.000 1.071 254 L CA 1.238 55.899 54.840 -0.299 0.000 0.749 254 L CB -0.579 41.246 42.059 -0.389 0.000 0.890 254 L HN -0.001 nan 8.230 nan 0.000 0.431 255 K N -0.421 119.563 120.400 -0.693 0.000 2.360 255 K HA -0.214 4.108 4.320 0.002 0.000 0.201 255 K C 2.228 178.682 176.600 -0.245 0.000 1.046 255 K CA 1.001 56.962 56.287 -0.543 0.000 0.945 255 K CB 0.118 32.229 32.500 -0.647 0.000 0.750 255 K HN 0.257 nan 8.250 nan 0.000 0.464 256 Q N 0.643 120.321 119.800 -0.204 0.000 2.134 256 Q HA -0.045 4.297 4.340 0.002 0.000 0.195 256 Q C 1.611 177.563 176.000 -0.080 0.000 0.958 256 Q CA 1.027 56.764 55.803 -0.109 0.000 0.840 256 Q CB 0.235 28.923 28.738 -0.084 0.000 0.918 256 Q HN 0.143 nan 8.270 nan 0.000 0.467 257 K N -0.754 119.597 120.400 -0.081 0.000 2.211 257 K HA -0.104 4.217 4.320 0.002 0.000 0.204 257 K C 1.348 177.923 176.600 -0.042 0.000 1.047 257 K CA 1.335 57.594 56.287 -0.045 0.000 0.935 257 K CB 0.093 32.577 32.500 -0.027 0.000 0.728 257 K HN 0.442 nan 8.250 nan 0.000 0.452 258 G N -0.359 108.403 108.800 -0.064 0.000 3.254 258 G HA2 -0.145 3.816 3.960 0.002 0.000 0.219 258 G HA3 -0.145 3.816 3.960 0.002 0.000 0.219 258 G C -0.084 174.785 174.900 -0.053 0.000 0.964 258 G CA -0.258 44.814 45.100 -0.046 0.000 0.823 258 G HN 0.024 nan 8.290 nan 0.000 0.579 259 V N 2.593 122.456 119.914 -0.085 0.000 2.584 259 V HA 0.449 4.571 4.120 0.002 0.000 0.303 259 V C 0.924 176.986 176.094 -0.053 0.000 1.035 259 V CA 1.436 63.691 62.300 -0.076 0.000 1.172 259 V CB 0.563 32.297 31.823 -0.149 0.000 0.896 259 V HN 1.288 nan 8.190 nan 0.000 0.486 260 S N 3.455 119.163 115.700 0.013 0.000 2.755 260 S HA 0.330 4.801 4.470 0.002 0.000 0.286 260 S C 0.338 174.976 174.600 0.064 0.000 1.207 260 S CA -0.559 57.675 58.200 0.057 0.000 0.892 260 S CB 1.261 64.477 63.200 0.028 0.000 1.240 260 S HN 0.449 nan 8.310 nan 0.000 0.525 261 N N 0.420 119.167 118.700 0.077 0.000 2.446 261 N HA 0.107 4.849 4.740 0.002 0.000 0.179 261 N C 0.574 176.109 175.510 0.041 0.000 1.054 261 N CA 0.798 53.904 53.050 0.094 0.000 0.905 261 N CB -0.071 38.483 38.487 0.110 0.000 0.973 261 N HN 0.557 nan 8.380 nan 0.000 0.448 262 E N 0.224 120.437 120.200 0.021 0.000 2.415 262 E HA 0.226 4.577 4.350 0.002 0.000 0.197 262 E C 0.125 176.718 176.600 -0.012 0.000 1.007 262 E CA 0.066 56.473 56.400 0.011 0.000 0.890 262 E CB 0.547 30.257 29.700 0.017 0.000 0.891 262 E HN 0.192 nan 8.360 nan 0.000 0.496 263 A N 1.284 124.088 122.820 -0.027 0.000 3.355 263 A HA 0.388 4.710 4.320 0.002 0.000 0.290 263 A C -2.699 174.853 177.584 -0.054 0.000 0.973 263 A CA -1.378 50.641 52.037 -0.031 0.000 0.933 263 A CB 0.078 19.070 19.000 -0.013 0.000 1.138 263 A HN -0.106 nan 8.150 nan 0.000 0.490 264 P HA 0.177 nan 4.420 nan 0.000 0.267 264 P C -2.682 174.614 177.300 -0.007 0.000 1.200 264 P CA -0.555 62.418 63.100 -0.212 0.000 0.772 264 P CB 0.231 31.451 31.700 -0.801 0.000 0.855 265 P HA 0.327 nan 4.420 nan 0.000 0.286 265 P C -1.227 176.175 177.300 0.171 0.000 1.261 265 P CA -0.121 63.055 63.100 0.126 0.000 0.821 265 P CB 0.797 32.603 31.700 0.176 0.000 1.013 266 L N -0.009 121.273 121.223 0.098 0.000 2.502 266 L HA 0.744 5.085 4.340 0.002 0.000 0.253 266 L C -0.382 176.486 176.870 -0.004 0.000 1.070 266 L CA -1.154 53.714 54.840 0.046 0.000 0.871 266 L CB 1.270 43.275 42.059 -0.090 0.000 1.487 266 L HN 0.320 nan 8.230 nan 0.000 0.408 267 M N 0.830 120.411 119.600 -0.032 0.000 2.393 267 M HA 0.650 5.131 4.480 0.002 0.000 0.299 267 M C -1.455 174.800 176.300 -0.074 0.000 1.103 267 M CA -0.877 54.379 55.300 -0.073 0.000 0.910 267 M CB 2.189 34.749 32.600 -0.067 0.000 1.659 267 M HN 0.445 nan 8.290 nan 0.000 0.445 268 V N 4.677 124.517 119.914 -0.123 0.000 2.425 268 V HA 0.043 4.165 4.120 0.002 0.000 0.276 268 V C 1.088 177.150 176.094 -0.053 0.000 1.017 268 V CA 0.582 62.836 62.300 -0.076 0.000 1.062 268 V CB 0.122 31.798 31.823 -0.245 0.000 0.997 268 V HN 1.070 nan 8.190 nan 0.000 0.476 269 S N 3.449 119.148 115.700 -0.001 0.000 2.421 269 S HA 0.113 4.584 4.470 0.002 0.000 0.224 269 S C 0.686 175.301 174.600 0.025 0.000 1.035 269 S CA 0.018 58.220 58.200 0.004 0.000 0.953 269 S CB 0.115 63.317 63.200 0.003 0.000 0.810 269 S HN 0.736 nan 8.310 nan 0.000 0.497 270 N N 0.167 118.890 118.700 0.039 0.000 2.329 270 N HA 0.587 5.329 4.740 0.002 0.000 0.282 270 N C -2.009 173.529 175.510 0.047 0.000 1.198 270 N CA -0.411 52.667 53.050 0.047 0.000 0.790 270 N CB 2.694 41.198 38.487 0.027 0.000 1.579 270 N HN 0.012 nan 8.380 nan 0.000 0.475 271 V N 0.677 120.602 119.914 0.019 0.000 2.612 271 V HA 0.574 4.695 4.120 0.002 0.000 0.301 271 V C -0.459 175.448 176.094 -0.312 0.000 1.059 271 V CA -0.882 61.331 62.300 -0.145 0.000 0.886 271 V CB 1.569 33.268 31.823 -0.207 0.000 1.007 271 V HN 0.840 nan 8.190 nan 0.000 0.426 272 A N 4.476 127.074 122.820 -0.371 0.000 2.309 272 A HA 0.855 5.176 4.320 0.002 0.000 0.298 272 A C -1.302 175.886 177.584 -0.659 0.000 1.165 272 A CA -0.223 51.603 52.037 -0.352 0.000 0.821 272 A CB 0.436 19.298 19.000 -0.231 0.000 1.102 272 A HN 0.741 nan 8.150 nan 0.000 0.500 273 Y N 0.989 121.037 120.300 -0.420 0.000 2.364 273 Y HA 0.643 5.194 4.550 0.002 0.000 0.340 273 Y C 0.971 176.273 175.900 -0.998 0.000 0.975 273 Y CA 0.612 58.351 58.100 -0.601 0.000 1.089 273 Y CB 2.435 40.450 38.460 -0.741 0.000 1.192 273 Y HN 1.124 nan 8.280 nan 0.000 0.454 274 G N 2.212 110.448 108.800 -0.940 0.000 2.601 274 G HA2 0.454 4.415 3.960 0.002 0.000 0.080 274 G HA3 0.454 4.415 3.960 0.002 0.000 0.080 274 G C -1.410 172.965 174.900 -0.875 0.000 1.046 274 G CA -0.699 43.270 45.100 -1.884 0.000 1.143 274 G HN 0.718 nan 8.290 nan 0.000 0.507 275 R N -1.574 118.594 120.500 -0.554 0.000 2.728 275 R HA 0.739 5.080 4.340 0.002 0.000 0.274 275 R C -1.745 174.464 176.300 -0.152 0.000 1.030 275 R CA -0.723 55.258 56.100 -0.198 0.000 0.876 275 R CB 1.232 31.520 30.300 -0.021 0.000 1.259 275 R HN 0.560 nan 8.270 nan 0.000 0.468 276 T N 1.247 115.730 114.554 -0.118 0.000 2.893 276 T HA 0.539 4.891 4.350 0.002 0.000 0.293 276 T C -0.520 174.052 174.700 -0.214 0.000 1.027 276 T CA -0.671 61.297 62.100 -0.219 0.000 0.988 276 T CB 1.216 69.871 68.868 -0.355 0.000 1.043 276 T HN 0.391 nan 8.240 nan 0.000 0.461 277 I N 3.048 123.484 120.570 -0.223 0.000 2.355 277 I HA 0.391 4.562 4.170 0.002 0.000 0.288 277 I C -1.062 174.956 176.117 -0.165 0.000 0.999 277 I CA -0.849 60.381 61.300 -0.117 0.000 1.163 277 I CB 0.984 38.938 38.000 -0.077 0.000 1.316 277 I HN 0.589 nan 8.210 nan 0.000 0.454 278 Y N 5.181 125.511 120.300 0.049 0.000 2.341 278 Y HA 0.556 5.107 4.550 0.002 0.000 0.337 278 Y C -0.014 175.907 175.900 0.035 0.000 1.014 278 Y CA -0.774 57.349 58.100 0.039 0.000 1.111 278 Y CB 1.891 40.348 38.460 -0.006 0.000 1.194 278 Y HN 0.186 nan 8.280 nan 0.000 0.462 279 V N 4.233 124.268 119.914 0.201 0.000 2.540 279 V HA 0.414 4.535 4.120 0.002 0.000 0.302 279 V C -0.644 175.506 176.094 0.094 0.000 1.035 279 V CA -1.268 61.109 62.300 0.129 0.000 0.873 279 V CB 1.874 33.797 31.823 0.168 0.000 0.992 279 V HN 0.644 nan 8.190 nan 0.000 0.428 280 K N 4.210 124.645 120.400 0.057 0.000 2.292 280 K HA 0.753 5.074 4.320 0.002 0.000 0.257 280 K C -1.860 174.744 176.600 0.006 0.000 0.940 280 K CA -0.701 55.589 56.287 0.005 0.000 0.811 280 K CB 1.556 34.038 32.500 -0.030 0.000 1.120 280 K HN 0.518 nan 8.250 nan 0.000 0.428 281 L N 4.683 125.838 121.223 -0.113 0.000 2.345 281 L HA 0.349 4.690 4.340 0.002 0.000 0.274 281 L C -0.670 176.040 176.870 -0.267 0.000 0.999 281 L CA -0.263 54.382 54.840 -0.324 0.000 0.849 281 L CB 1.524 43.004 42.059 -0.966 0.000 1.220 281 L HN 0.697 nan 8.230 nan 0.000 0.422 282 E N 1.222 121.360 120.200 -0.104 0.000 2.277 282 E HA 0.873 5.224 4.350 0.002 0.000 0.266 282 E C -0.815 175.865 176.600 0.134 0.000 0.901 282 E CA -0.847 55.582 56.400 0.048 0.000 0.782 282 E CB 2.712 32.388 29.700 -0.041 0.000 1.228 282 E HN 0.266 nan 8.360 nan 0.000 0.424 283 T N -0.369 114.282 114.554 0.162 0.000 2.802 283 T HA 0.282 4.634 4.350 0.002 0.000 0.311 283 T C 0.000 174.723 174.700 0.037 0.000 1.405 283 T CA 0.051 62.216 62.100 0.107 0.000 1.016 283 T CB 1.547 70.516 68.868 0.167 0.000 1.352 283 T HN 0.635 nan 8.240 nan 0.000 0.498 284 T N -0.491 114.070 114.554 0.011 0.000 3.022 284 T HA 0.293 4.645 4.350 0.002 0.000 0.250 284 T C 1.200 175.893 174.700 -0.013 0.000 1.060 284 T CA 0.287 62.386 62.100 -0.003 0.000 1.013 284 T CB 0.013 68.877 68.868 -0.007 0.000 0.982 284 T HN 0.581 nan 8.240 nan 0.000 0.508 285 S N 1.815 117.504 115.700 -0.019 0.000 2.558 285 S HA 0.127 4.598 4.470 0.002 0.000 0.288 285 S C 1.006 175.576 174.600 -0.051 0.000 1.318 285 S CA -0.238 57.938 58.200 -0.039 0.000 1.056 285 S CB 0.258 63.423 63.200 -0.059 0.000 0.853 285 S HN 0.465 nan 8.310 nan 0.000 0.505 286 S N 2.729 118.400 115.700 -0.048 0.000 2.554 286 S HA 0.178 4.649 4.470 0.002 0.000 0.226 286 S C 0.550 175.117 174.600 -0.055 0.000 0.980 286 S CA -0.426 57.748 58.200 -0.044 0.000 0.939 286 S CB 0.141 63.324 63.200 -0.030 0.000 0.832 286 S HN 0.689 nan 8.310 nan 0.000 0.486 287 S N 2.642 118.298 115.700 -0.072 0.000 2.566 287 S HA 0.029 4.500 4.470 0.002 0.000 0.280 287 S C 1.252 175.802 174.600 -0.083 0.000 1.343 287 S CA -0.260 57.895 58.200 -0.074 0.000 1.036 287 S CB 0.412 63.562 63.200 -0.084 0.000 0.866 287 S HN 0.581 nan 8.310 nan 0.000 0.526 288 K N 1.789 122.154 120.400 -0.058 0.000 2.458 288 K HA 0.112 4.433 4.320 0.002 0.000 0.194 288 K C -0.265 176.293 176.600 -0.070 0.000 1.024 288 K CA 0.376 56.634 56.287 -0.049 0.000 1.108 288 K CB 0.062 32.550 32.500 -0.019 0.000 0.846 288 K HN 0.404 nan 8.250 nan 0.000 0.518 289 D N 0.992 121.331 120.400 -0.101 0.000 2.367 289 D HA 0.002 4.644 4.640 0.002 0.000 0.207 289 D C 1.764 177.872 176.300 -0.319 0.000 1.034 289 D CA 0.057 53.977 54.000 -0.132 0.000 0.861 289 D CB 0.279 41.062 40.800 -0.027 0.000 0.943 289 D HN -0.055 nan 8.370 nan 0.000 0.515 290 V N 1.237 120.936 119.914 -0.358 0.000 2.223 290 V HA -0.386 3.736 4.120 0.002 0.000 0.253 290 V C 2.603 178.277 176.094 -0.700 0.000 1.061 290 V CA 2.267 64.192 62.300 -0.625 0.000 1.035 290 V CB -0.679 30.787 31.823 -0.596 0.000 0.653 290 V HN 0.259 nan 8.190 nan 0.000 0.454 291 Q N -0.616 118.939 119.800 -0.408 0.000 2.047 291 Q HA -0.329 4.012 4.340 0.002 0.000 0.211 291 Q C 2.264 178.179 176.000 -0.141 0.000 1.005 291 Q CA 2.660 58.353 55.803 -0.184 0.000 0.866 291 Q CB -0.430 28.274 28.738 -0.056 0.000 0.938 291 Q HN 0.681 nan 8.270 nan 0.000 0.414 292 A N 0.533 123.244 122.820 -0.181 0.000 1.892 292 A HA -0.232 4.089 4.320 0.002 0.000 0.218 292 A C 2.296 179.666 177.584 -0.356 0.000 1.188 292 A CA 2.215 54.158 52.037 -0.157 0.000 0.631 292 A CB -1.268 17.686 19.000 -0.077 0.000 0.822 292 A HN 0.619 nan 8.150 nan 0.000 0.447 293 A N -1.101 121.234 122.820 -0.809 0.000 1.883 293 A HA -0.099 4.222 4.320 0.002 0.000 0.217 293 A C 2.143 179.751 177.584 0.040 0.000 1.186 293 A CA 1.508 52.972 52.037 -0.955 0.000 0.624 293 A CB -0.873 17.537 19.000 -0.982 0.000 0.822 293 A HN 0.585 nan 8.150 nan 0.000 0.444 294 F N 0.172 120.079 119.950 -0.071 0.000 2.095 294 F HA -0.234 4.294 4.527 0.002 0.000 0.298 294 F C 2.541 178.282 175.800 -0.099 0.000 1.104 294 F CA 1.411 59.396 58.000 -0.025 0.000 1.232 294 F CB -0.161 38.842 39.000 0.005 0.000 0.987 294 F HN 0.214 nan 8.300 nan 0.000 0.475 295 K N 0.516 121.001 120.400 0.142 0.000 2.063 295 K HA -0.176 4.146 4.320 0.002 0.000 0.208 295 K C 2.242 178.857 176.600 0.025 0.000 1.048 295 K CA 1.213 57.539 56.287 0.064 0.000 0.928 295 K CB -0.534 32.005 32.500 0.065 0.000 0.713 295 K HN 0.198 nan 8.250 nan 0.000 0.442 296 A N 1.684 124.552 122.820 0.080 0.000 1.908 296 A HA -0.183 4.138 4.320 0.002 0.000 0.218 296 A C 2.153 179.754 177.584 0.028 0.000 1.181 296 A CA 1.310 53.435 52.037 0.148 0.000 0.627 296 A CB -0.537 18.709 19.000 0.409 0.000 0.818 296 A HN 0.220 nan 8.150 nan 0.000 0.445 297 L N -0.233 120.936 121.223 -0.089 0.000 2.027 297 L HA -0.076 4.265 4.340 0.002 0.000 0.206 297 L C 2.266 178.758 176.870 -0.630 0.000 1.074 297 L CA 1.693 56.235 54.840 -0.497 0.000 0.745 297 L CB -0.472 41.071 42.059 -0.859 0.000 0.898 297 L HN 0.442 nan 8.230 nan 0.000 0.433 298 I N -0.442 119.810 120.570 -0.529 0.000 2.090 298 I HA -0.342 3.829 4.170 0.002 0.000 0.236 298 I C 2.328 178.357 176.117 -0.146 0.000 1.064 298 I CA 1.708 62.791 61.300 -0.362 0.000 1.324 298 I CB -0.401 37.534 38.000 -0.109 0.000 1.044 298 I HN 0.141 nan 8.210 nan 0.000 0.399 299 K N 0.163 120.505 120.400 -0.098 0.000 2.283 299 K HA -0.082 4.239 4.320 0.002 0.000 0.202 299 K C 0.176 176.748 176.600 -0.047 0.000 1.048 299 K CA 0.586 56.837 56.287 -0.061 0.000 0.948 299 K CB -0.140 32.334 32.500 -0.042 0.000 0.742 299 K HN 0.197 nan 8.250 nan 0.000 0.458 300 N N 1.331 119.994 118.700 -0.062 0.000 2.726 300 N HA -0.123 4.618 4.740 0.002 0.000 0.253 300 N C -1.104 174.404 175.510 -0.004 0.000 1.059 300 N CA 1.034 54.061 53.050 -0.038 0.000 0.701 300 N CB -1.195 37.273 38.487 -0.031 0.000 0.899 300 N HN 0.413 nan 8.380 nan 0.000 0.548 301 T N -3.882 110.684 114.554 0.020 0.000 2.874 301 T HA 0.333 4.684 4.350 0.002 0.000 0.281 301 T C 1.109 175.832 174.700 0.039 0.000 0.994 301 T CA -0.256 61.864 62.100 0.032 0.000 1.015 301 T CB 1.692 70.591 68.868 0.051 0.000 1.028 301 T HN 0.084 nan 8.240 nan 0.000 0.523 302 D N -0.250 120.165 120.400 0.025 0.000 2.218 302 D HA -0.088 4.553 4.640 0.002 0.000 0.204 302 D C 1.394 177.700 176.300 0.010 0.000 0.976 302 D CA 0.642 54.652 54.000 0.017 0.000 0.853 302 D CB -0.191 40.613 40.800 0.006 0.000 0.939 302 D HN 0.541 nan 8.370 nan 0.000 0.481 303 I N 1.086 121.662 120.570 0.010 0.000 3.620 303 I HA -0.037 4.135 4.170 0.002 0.000 0.305 303 I C 1.289 177.374 176.117 -0.053 0.000 1.243 303 I CA 0.424 61.696 61.300 -0.048 0.000 1.196 303 I CB -1.143 36.826 38.000 -0.052 0.000 1.004 303 I HN 0.055 nan 8.210 nan 0.000 0.487 304 K N 0.574 121.024 120.400 0.082 0.000 2.362 304 K HA -0.122 4.199 4.320 0.002 0.000 0.200 304 K C 1.236 177.970 176.600 0.223 0.000 1.046 304 K CA 0.850 57.288 56.287 0.253 0.000 0.952 304 K CB -0.832 31.803 32.500 0.225 0.000 0.753 304 K HN 0.145 nan 8.250 nan 0.000 0.466 305 N N 1.021 119.744 118.700 0.038 0.000 2.322 305 N HA 0.071 4.812 4.740 0.002 0.000 0.194 305 N C -0.729 174.711 175.510 -0.117 0.000 1.126 305 N CA 0.023 53.082 53.050 0.014 0.000 0.845 305 N CB 0.187 38.684 38.487 0.017 0.000 0.976 305 N HN 0.067 nan 8.380 nan 0.000 0.475 306 S N 1.711 117.210 115.700 -0.336 0.000 2.737 306 S HA -0.048 4.423 4.470 0.002 0.000 0.315 306 S C 1.451 175.907 174.600 -0.240 0.000 1.236 306 S CA -0.074 57.868 58.200 -0.429 0.000 1.093 306 S CB 0.738 63.353 63.200 -0.974 0.000 0.832 306 S HN 0.292 nan 8.310 nan 0.000 0.507 307 Q N 3.071 122.790 119.800 -0.134 0.000 2.217 307 Q HA -0.261 4.080 4.340 0.002 0.000 0.209 307 Q C 2.182 178.146 176.000 -0.059 0.000 0.988 307 Q CA 1.924 57.685 55.803 -0.069 0.000 0.878 307 Q CB -0.226 28.482 28.738 -0.049 0.000 0.909 307 Q HN 0.878 nan 8.270 nan 0.000 0.424 308 Q N -1.031 118.732 119.800 -0.061 0.000 2.096 308 Q HA -0.188 4.153 4.340 0.002 0.000 0.204 308 Q C 1.745 177.761 176.000 0.027 0.000 0.982 308 Q CA 1.438 57.240 55.803 -0.001 0.000 0.850 308 Q CB -0.506 28.257 28.738 0.041 0.000 0.901 308 Q HN 0.352 nan 8.270 nan 0.000 0.422 309 Y N 1.567 121.684 120.300 -0.305 0.000 2.133 309 Y HA -0.089 4.463 4.550 0.002 0.000 0.287 309 Y C 2.314 177.726 175.900 -0.814 0.000 1.134 309 Y CA 0.552 58.260 58.100 -0.653 0.000 1.133 309 Y CB -0.526 37.511 38.460 -0.704 0.000 0.987 309 Y HN -0.016 nan 8.280 nan 0.000 0.502 310 K N 0.399 120.655 120.400 -0.240 0.000 2.059 310 K HA -0.228 4.093 4.320 0.002 0.000 0.212 310 K C 1.644 178.254 176.600 0.017 0.000 1.050 310 K CA 1.897 58.171 56.287 -0.022 0.000 0.927 310 K CB -0.643 31.886 32.500 0.050 0.000 0.714 310 K HN 0.331 nan 8.250 nan 0.000 0.447 311 D N 0.394 120.779 120.400 -0.025 0.000 2.097 311 D HA -0.059 4.583 4.640 0.002 0.000 0.197 311 D C 2.050 178.355 176.300 0.008 0.000 0.984 311 D CA 0.696 54.698 54.000 0.004 0.000 0.826 311 D CB -0.188 40.605 40.800 -0.012 0.000 0.973 311 D HN 0.152 nan 8.370 nan 0.000 0.460 312 I N -0.027 120.506 120.570 -0.062 0.000 2.127 312 I HA -0.339 3.832 4.170 0.002 0.000 0.241 312 I C 2.175 178.385 176.117 0.155 0.000 1.075 312 I CA 1.199 62.476 61.300 -0.037 0.000 1.334 312 I CB -0.453 37.436 38.000 -0.185 0.000 1.040 312 I HN 0.139 nan 8.210 nan 0.000 0.405 313 Y N 0.720 121.119 120.300 0.166 0.000 2.114 313 Y HA -0.300 4.251 4.550 0.002 0.000 0.282 313 Y C 2.646 178.650 175.900 0.172 0.000 1.165 313 Y CA 0.887 59.140 58.100 0.256 0.000 1.148 313 Y CB -0.389 38.224 38.460 0.256 0.000 0.972 313 Y HN 0.221 nan 8.280 nan 0.000 0.504 314 E N 0.203 120.567 120.200 0.274 0.000 2.267 314 E HA -0.198 4.154 4.350 0.002 0.000 0.197 314 E C 0.684 177.339 176.600 0.092 0.000 0.998 314 E CA 1.080 57.575 56.400 0.158 0.000 0.830 314 E CB -0.249 29.517 29.700 0.110 0.000 0.751 314 E HN 0.560 nan 8.360 nan 0.000 0.491 315 N N -0.492 118.259 118.700 0.086 0.000 2.234 315 N HA 0.078 4.819 4.740 0.002 0.000 0.227 315 N C -1.092 174.431 175.510 0.021 0.000 1.151 315 N CA -0.213 52.859 53.050 0.037 0.000 0.865 315 N CB 1.117 39.620 38.487 0.026 0.000 1.066 315 N HN -0.147 nan 8.380 nan 0.000 0.515 316 S N -0.934 114.769 115.700 0.006 0.000 2.664 316 S HA 0.596 5.067 4.470 0.002 0.000 0.304 316 S C -0.459 173.843 174.600 -0.498 0.000 1.099 316 S CA -0.701 57.426 58.200 -0.122 0.000 1.003 316 S CB 2.128 65.378 63.200 0.083 0.000 1.092 316 S HN -0.031 nan 8.310 nan 0.000 0.525 317 S N 0.432 115.748 115.700 -0.640 0.000 2.541 317 S HA 0.763 5.234 4.470 0.002 0.000 0.280 317 S C -1.775 172.374 174.600 -0.751 0.000 1.112 317 S CA -0.660 57.141 58.200 -0.665 0.000 0.925 317 S CB 0.293 63.328 63.200 -0.275 0.000 1.067 317 S HN 0.477 nan 8.310 nan 0.000 0.479 318 F N 1.661 121.606 119.950 -0.009 0.000 2.495 318 F HA 0.589 5.118 4.527 0.002 0.000 0.327 318 F C 0.501 176.257 175.800 -0.072 0.000 1.103 318 F CA -0.742 57.233 58.000 -0.042 0.000 0.949 318 F CB 2.407 41.402 39.000 -0.008 0.000 1.142 318 F HN 0.297 nan 8.300 nan 0.000 0.457 319 T N 1.725 116.335 114.554 0.093 0.000 2.876 319 T HA 0.819 5.170 4.350 0.002 0.000 0.289 319 T C -0.965 173.741 174.700 0.010 0.000 1.014 319 T CA -0.826 61.288 62.100 0.023 0.000 0.986 319 T CB 1.853 70.720 68.868 -0.003 0.000 1.021 319 T HN 0.806 nan 8.240 nan 0.000 0.458 320 A N 2.012 124.824 122.820 -0.014 0.000 2.449 320 A HA 0.927 5.249 4.320 0.002 0.000 0.302 320 A C -0.783 176.800 177.584 -0.001 0.000 1.048 320 A CA -0.856 51.168 52.037 -0.021 0.000 0.708 320 A CB 1.333 20.275 19.000 -0.096 0.000 1.274 320 A HN 1.209 nan 8.150 nan 0.000 0.410 321 V N -1.003 118.932 119.914 0.035 0.000 3.120 321 V HA 0.838 4.960 4.120 0.002 0.000 0.303 321 V C -0.987 175.144 176.094 0.061 0.000 1.238 321 V CA -0.867 61.459 62.300 0.043 0.000 1.008 321 V CB 1.476 33.332 31.823 0.056 0.000 1.064 321 V HN 0.861 nan 8.190 nan 0.000 0.434 322 V N 4.011 123.948 119.914 0.039 0.000 2.376 322 V HA 0.579 4.700 4.120 0.002 0.000 0.287 322 V C -0.098 176.021 176.094 0.041 0.000 1.015 322 V CA -0.238 62.082 62.300 0.032 0.000 0.834 322 V CB 0.947 32.781 31.823 0.018 0.000 1.001 322 V HN 0.802 nan 8.190 nan 0.000 0.428 323 L N 3.010 124.272 121.223 0.065 0.000 2.299 323 L HA 0.895 5.237 4.340 0.002 0.000 0.268 323 L C 1.472 178.350 176.870 0.013 0.000 1.012 323 L CA -0.258 54.613 54.840 0.052 0.000 0.816 323 L CB 1.195 43.328 42.059 0.125 0.000 1.355 323 L HN 0.736 nan 8.230 nan 0.000 0.457 324 G N -0.495 108.297 108.800 -0.012 0.000 2.253 324 G HA2 -0.229 3.732 3.960 0.002 0.000 0.251 324 G HA3 -0.229 3.732 3.960 0.002 0.000 0.251 324 G C 0.517 175.404 174.900 -0.022 0.000 0.998 324 G CA 0.103 45.184 45.100 -0.032 0.000 0.621 324 G HN 1.047 nan 8.290 nan 0.000 0.524 325 G N -0.751 108.045 108.800 -0.007 0.000 2.546 325 G HA2 0.435 4.396 3.960 0.002 0.000 0.239 325 G HA3 0.435 4.396 3.960 0.002 0.000 0.239 325 G C 0.280 175.091 174.900 -0.148 0.000 1.476 325 G CA 0.868 45.999 45.100 0.052 0.000 1.064 325 G HN 0.212 nan 8.290 nan 0.000 0.561 326 D N -1.105 119.253 120.400 -0.071 0.000 2.479 326 D HA 0.291 4.932 4.640 0.002 0.000 0.218 326 D C 2.008 178.289 176.300 -0.032 0.000 1.177 326 D CA 0.359 54.267 54.000 -0.153 0.000 0.830 326 D CB 0.448 41.223 40.800 -0.042 0.000 1.014 326 D HN 0.247 nan 8.370 nan 0.000 0.503 327 A N 0.184 123.000 122.820 -0.007 0.000 2.015 327 A HA -0.026 4.295 4.320 0.002 0.000 0.219 327 A C 1.271 178.815 177.584 -0.068 0.000 1.163 327 A CA 1.649 53.699 52.037 0.021 0.000 0.646 327 A CB -0.167 18.850 19.000 0.029 0.000 0.806 327 A HN 0.362 nan 8.150 nan 0.000 0.448 328 Q N -2.168 117.545 119.800 -0.146 0.000 0.972 328 Q HA -0.236 4.105 4.340 0.002 0.000 0.312 328 Q C 0.497 176.291 176.000 -0.342 0.000 1.045 328 Q CA 1.597 57.232 55.803 -0.278 0.000 0.590 328 Q CB -1.037 27.454 28.738 -0.412 0.000 4.803 328 Q HN 0.528 nan 8.270 nan 0.000 0.429 329 E N -0.311 119.569 120.200 -0.533 0.000 2.427 329 E HA -0.072 4.279 4.350 0.002 0.000 0.196 329 E C 0.673 177.128 176.600 -0.243 0.000 1.028 329 E CA 1.276 57.479 56.400 -0.328 0.000 0.864 329 E CB -0.161 29.402 29.700 -0.229 0.000 0.813 329 E HN 0.665 nan 8.360 nan 0.000 0.514 330 H N 2.375 121.442 119.070 -0.006 0.000 2.689 330 H HA 0.084 4.641 4.556 0.002 0.000 0.290 330 H C 0.808 176.135 175.328 -0.002 0.000 1.089 330 H CA 0.526 56.572 56.048 -0.004 0.000 1.194 330 H CB -0.646 29.115 29.762 -0.002 0.000 1.289 330 H HN 0.303 nan 8.280 nan 0.000 0.616 331 N N -0.172 118.553 118.700 0.043 0.000 2.307 331 N HA 0.009 4.750 4.740 0.002 0.000 0.248 331 N C -0.307 175.208 175.510 0.008 0.000 1.322 331 N CA -0.328 52.741 53.050 0.031 0.000 0.861 331 N CB 0.726 39.227 38.487 0.024 0.000 1.303 331 N HN 0.117 nan 8.380 nan 0.000 0.498 332 K N 1.400 121.804 120.400 0.006 0.000 2.154 332 K HA 0.384 4.705 4.320 0.002 0.000 0.264 332 K C -0.951 175.645 176.600 -0.006 0.000 1.008 332 K CA -0.209 56.077 56.287 -0.003 0.000 0.937 332 K CB 1.263 33.760 32.500 -0.005 0.000 1.002 332 K HN -0.068 nan 8.250 nan 0.000 0.469 333 V N 3.441 123.346 119.914 -0.015 0.000 2.668 333 V HA 0.301 4.422 4.120 0.002 0.000 0.304 333 V C -1.073 175.012 176.094 -0.016 0.000 1.071 333 V CA -1.028 61.260 62.300 -0.020 0.000 0.894 333 V CB 1.893 33.691 31.823 -0.041 0.000 1.008 333 V HN 0.509 nan 8.190 nan 0.000 0.425 334 V N 3.616 123.525 119.914 -0.008 0.000 2.483 334 V HA 0.840 4.962 4.120 0.002 0.000 0.297 334 V C -0.046 176.053 176.094 0.009 0.000 1.027 334 V CA -0.118 62.180 62.300 -0.003 0.000 0.855 334 V CB 1.937 33.751 31.823 -0.015 0.000 0.995 334 V HN 1.024 nan 8.190 nan 0.000 0.424 335 T N 3.030 117.609 114.554 0.041 0.000 2.816 335 T HA 0.426 4.778 4.350 0.002 0.000 0.299 335 T C 0.302 175.073 174.700 0.118 0.000 1.230 335 T CA -0.781 61.364 62.100 0.075 0.000 1.007 335 T CB 2.688 71.612 68.868 0.092 0.000 1.289 335 T HN 0.518 nan 8.240 nan 0.000 0.508 336 K N -0.006 120.472 120.400 0.130 0.000 2.358 336 K HA 0.139 4.460 4.320 0.002 0.000 0.200 336 K C -0.351 176.477 176.600 0.379 0.000 1.030 336 K CA 0.003 56.375 56.287 0.142 0.000 1.097 336 K CB 0.466 33.005 32.500 0.066 0.000 0.862 336 K HN 0.417 nan 8.250 nan 0.000 0.534 337 D N 0.104 120.684 120.400 0.300 0.000 2.454 337 D HA 0.040 4.681 4.640 0.002 0.000 0.225 337 D C 0.326 176.706 176.300 0.132 0.000 1.081 337 D CA -0.534 53.590 54.000 0.206 0.000 0.864 337 D CB 0.373 41.233 40.800 0.100 0.000 1.040 337 D HN -0.094 nan 8.370 nan 0.000 0.517 338 F N 2.497 122.357 119.950 -0.149 0.000 2.269 338 F HA -0.142 4.386 4.527 0.002 0.000 0.301 338 F C 1.537 177.205 175.800 -0.221 0.000 1.082 338 F CA 1.105 58.862 58.000 -0.405 0.000 1.360 338 F CB 0.312 38.878 39.000 -0.723 0.000 1.041 338 F HN 0.343 nan 8.300 nan 0.000 0.512 339 D N 0.289 120.687 120.400 -0.003 0.000 2.228 339 D HA -0.193 4.449 4.640 0.002 0.000 0.203 339 D C 2.079 178.313 176.300 -0.110 0.000 0.988 339 D CA 1.257 55.239 54.000 -0.030 0.000 0.864 339 D CB -0.227 40.572 40.800 -0.003 0.000 0.928 339 D HN 0.473 nan 8.370 nan 0.000 0.469 340 E N -0.281 119.838 120.200 -0.135 0.000 2.152 340 E HA -0.088 4.264 4.350 0.002 0.000 0.192 340 E C 2.029 178.484 176.600 -0.242 0.000 0.983 340 E CA 0.342 56.657 56.400 -0.142 0.000 0.818 340 E CB 0.193 29.840 29.700 -0.088 0.000 0.758 340 E HN 0.301 nan 8.360 nan 0.000 0.467 341 I N 1.070 121.370 120.570 -0.450 0.000 2.353 341 I HA -0.189 3.982 4.170 0.002 0.000 0.248 341 I C 2.260 178.078 176.117 -0.499 0.000 1.119 341 I CA 1.108 62.038 61.300 -0.617 0.000 1.417 341 I CB -0.918 36.303 38.000 -1.297 0.000 1.078 341 I HN 0.076 nan 8.210 nan 0.000 0.421 342 R N 0.895 121.142 120.500 -0.422 0.000 2.096 342 R HA -0.183 4.159 4.340 0.002 0.000 0.235 342 R C 2.272 178.474 176.300 -0.164 0.000 1.127 342 R CA 1.184 57.166 56.100 -0.198 0.000 0.968 342 R CB -0.341 29.923 30.300 -0.059 0.000 0.861 342 R HN 0.352 nan 8.270 nan 0.000 0.440 343 K N 1.004 121.313 120.400 -0.151 0.000 2.026 343 K HA -0.124 4.198 4.320 0.002 0.000 0.208 343 K C 2.068 178.594 176.600 -0.123 0.000 1.048 343 K CA 1.414 57.634 56.287 -0.111 0.000 0.929 343 K CB -0.029 32.418 32.500 -0.088 0.000 0.713 343 K HN -0.024 nan 8.250 nan 0.000 0.439 344 V N 2.020 121.843 119.914 -0.151 0.000 2.250 344 V HA -0.329 3.793 4.120 0.002 0.000 0.250 344 V C 2.338 178.335 176.094 -0.163 0.000 1.060 344 V CA 2.152 64.367 62.300 -0.142 0.000 1.030 344 V CB -0.445 31.281 31.823 -0.162 0.000 0.643 344 V HN 0.334 nan 8.190 nan 0.000 0.445 345 I N -0.616 119.812 120.570 -0.237 0.000 2.163 345 I HA -0.289 3.882 4.170 0.002 0.000 0.243 345 I C 2.577 178.593 176.117 -0.167 0.000 1.085 345 I CA 1.842 62.968 61.300 -0.291 0.000 1.347 345 I CB -0.497 37.248 38.000 -0.425 0.000 1.044 345 I HN 0.261 nan 8.210 nan 0.000 0.408 346 K N 0.648 120.972 120.400 -0.126 0.000 2.032 346 K HA -0.203 4.119 4.320 0.002 0.000 0.209 346 K C 1.729 178.293 176.600 -0.060 0.000 1.048 346 K CA 1.827 58.068 56.287 -0.077 0.000 0.927 346 K CB -0.259 32.203 32.500 -0.063 0.000 0.712 346 K HN 0.242 nan 8.250 nan 0.000 0.441 347 D N 0.526 120.889 120.400 -0.063 0.000 2.265 347 D HA -0.121 4.520 4.640 0.002 0.000 0.208 347 D C 0.860 177.142 176.300 -0.030 0.000 0.977 347 D CA 0.953 54.926 54.000 -0.044 0.000 0.871 347 D CB -0.150 40.624 40.800 -0.043 0.000 0.925 347 D HN 0.161 nan 8.370 nan 0.000 0.485 348 N N -0.046 118.634 118.700 -0.034 0.000 2.279 348 N HA 0.173 4.914 4.740 0.002 0.000 0.226 348 N C 0.735 176.262 175.510 0.028 0.000 1.126 348 N CA -0.031 53.021 53.050 0.004 0.000 0.846 348 N CB 0.964 39.451 38.487 0.001 0.000 1.050 348 N HN 0.025 nan 8.380 nan 0.000 0.502 349 A N -0.224 122.599 122.820 0.005 0.000 2.208 349 A HA 0.102 4.423 4.320 0.002 0.000 0.209 349 A C 0.954 178.557 177.584 0.030 0.000 1.161 349 A CA 0.681 52.733 52.037 0.025 0.000 0.782 349 A CB 0.238 19.239 19.000 0.002 0.000 0.816 349 A HN 0.029 nan 8.150 nan 0.000 0.477 350 T N -0.520 114.032 114.554 -0.003 0.000 2.924 350 T HA 0.612 4.963 4.350 0.002 0.000 0.291 350 T C -0.948 173.691 174.700 -0.100 0.000 1.045 350 T CA -0.292 61.762 62.100 -0.077 0.000 1.015 350 T CB 1.409 70.196 68.868 -0.136 0.000 1.103 350 T HN 0.442 nan 8.240 nan 0.000 0.496 351 F N -0.299 119.426 119.950 -0.376 0.000 2.588 351 F HA 0.811 5.339 4.527 0.002 0.000 0.310 351 F C -0.445 175.104 175.800 -0.419 0.000 1.082 351 F CA -1.126 56.478 58.000 -0.661 0.000 0.929 351 F CB 1.445 39.404 39.000 -1.736 0.000 1.254 351 F HN 0.450 nan 8.300 nan 0.000 0.455 352 S N 1.138 116.742 115.700 -0.160 0.000 2.457 352 S HA 0.307 4.778 4.470 0.002 0.000 0.289 352 S C 0.955 175.599 174.600 0.073 0.000 1.163 352 S CA 0.116 58.265 58.200 -0.085 0.000 1.078 352 S CB 0.782 64.037 63.200 0.092 0.000 0.987 352 S HN 1.075 nan 8.310 nan 0.000 0.482 353 T N 2.191 116.732 114.554 -0.022 0.000 3.155 353 T HA 0.134 4.485 4.350 0.002 0.000 0.264 353 T C 0.873 175.647 174.700 0.123 0.000 1.160 353 T CA 0.643 62.787 62.100 0.074 0.000 1.075 353 T CB -0.249 68.544 68.868 -0.125 0.000 0.921 353 T HN 0.652 nan 8.240 nan 0.000 0.533 354 K N 0.472 120.944 120.400 0.119 0.000 2.399 354 K HA 0.284 4.606 4.320 0.002 0.000 0.204 354 K C -0.468 176.165 176.600 0.056 0.000 1.023 354 K CA -0.239 56.084 56.287 0.060 0.000 1.127 354 K CB 0.314 32.787 32.500 -0.045 0.000 0.856 354 K HN 0.300 nan 8.250 nan 0.000 0.514 355 N N 1.316 120.073 118.700 0.095 0.000 2.292 355 N HA 0.282 5.023 4.740 0.002 0.000 0.303 355 N C -2.758 172.804 175.510 0.087 0.000 1.140 355 N CA -1.691 51.416 53.050 0.095 0.000 0.788 355 N CB 1.271 39.830 38.487 0.120 0.000 1.361 355 N HN -0.105 nan 8.380 nan 0.000 0.489 356 P HA 0.223 nan 4.420 nan 0.000 0.268 356 P C -1.525 175.663 177.300 -0.187 0.000 1.204 356 P CA -0.321 62.697 63.100 -0.137 0.000 0.768 356 P CB 0.619 32.203 31.700 -0.194 0.000 0.842 357 A N 3.749 126.411 122.820 -0.264 0.000 2.304 357 A HA 0.608 4.929 4.320 0.002 0.000 0.314 357 A C -1.088 176.331 177.584 -0.274 0.000 1.187 357 A CA -0.608 51.345 52.037 -0.140 0.000 0.810 357 A CB 0.491 19.440 19.000 -0.084 0.000 1.183 357 A HN 0.458 nan 8.150 nan 0.000 0.487 358 Y N 2.425 122.784 120.300 0.098 0.000 2.419 358 Y HA 0.483 5.035 4.550 0.002 0.000 0.328 358 Y C -1.952 174.000 175.900 0.087 0.000 1.162 358 Y CA -2.835 55.358 58.100 0.156 0.000 1.174 358 Y CB 0.934 39.440 38.460 0.076 0.000 1.228 358 Y HN 0.480 nan 8.280 nan 0.000 0.473 359 P HA -0.057 nan 4.420 nan 0.000 0.261 359 P C 0.134 177.348 177.300 -0.144 0.000 1.183 359 P CA 0.493 63.477 63.100 -0.193 0.000 0.761 359 P CB 0.918 32.565 31.700 -0.089 0.000 0.785 360 I N 1.382 121.799 120.570 -0.255 0.000 3.172 360 I HA 0.029 4.200 4.170 0.002 0.000 0.278 360 I C 1.342 177.384 176.117 -0.126 0.000 1.174 360 I CA 1.092 62.282 61.300 -0.182 0.000 1.445 360 I CB -0.411 37.436 38.000 -0.255 0.000 1.175 360 I HN 0.473 nan 8.210 nan 0.000 0.447 361 S N -0.278 115.339 115.700 -0.139 0.000 2.655 361 S HA 0.590 5.061 4.470 0.002 0.000 0.266 361 S C -1.269 173.340 174.600 0.014 0.000 1.149 361 S CA -0.696 57.467 58.200 -0.062 0.000 0.818 361 S CB 1.788 64.911 63.200 -0.129 0.000 1.130 361 S HN 0.170 nan 8.310 nan 0.000 0.476 362 Y N -1.583 118.623 120.300 -0.156 0.000 2.604 362 Y HA 0.755 5.306 4.550 0.002 0.000 0.331 362 Y C -1.145 174.681 175.900 -0.125 0.000 1.158 362 Y CA -0.755 57.257 58.100 -0.146 0.000 1.056 362 Y CB 0.945 39.318 38.460 -0.145 0.000 1.330 362 Y HN 0.934 nan 8.280 nan 0.000 0.457 363 T N 0.454 114.971 114.554 -0.062 0.000 2.807 363 T HA 0.738 5.090 4.350 0.002 0.000 0.279 363 T C -0.458 174.234 174.700 -0.013 0.000 0.993 363 T CA -0.800 61.215 62.100 -0.141 0.000 0.970 363 T CB 1.676 70.486 68.868 -0.097 0.000 0.950 363 T HN 0.700 nan 8.240 nan 0.000 0.441 364 S N 0.967 116.616 115.700 -0.086 0.000 2.747 364 S HA 0.843 5.314 4.470 0.002 0.000 0.300 364 S C -0.602 173.911 174.600 -0.145 0.000 1.121 364 S CA -0.735 57.431 58.200 -0.057 0.000 0.995 364 S CB 1.369 64.534 63.200 -0.058 0.000 1.113 364 S HN 0.681 nan 8.310 nan 0.000 0.547 365 V N 1.548 121.377 119.914 -0.142 0.000 2.733 365 V HA 0.392 4.513 4.120 0.002 0.000 0.306 365 V C -1.262 174.783 176.094 -0.083 0.000 1.084 365 V CA -0.724 61.506 62.300 -0.117 0.000 0.905 365 V CB 1.547 33.363 31.823 -0.011 0.000 1.010 365 V HN 0.830 nan 8.190 nan 0.000 0.424 366 F N 4.024 124.022 119.950 0.079 0.000 2.538 366 F HA 0.170 4.698 4.527 0.002 0.000 0.371 366 F C 1.590 177.460 175.800 0.117 0.000 1.087 366 F CA 0.020 58.086 58.000 0.109 0.000 1.250 366 F CB 0.639 39.748 39.000 0.182 0.000 1.110 366 F HN 0.437 nan 8.300 nan 0.000 0.570 367 L N 2.718 124.139 121.223 0.330 0.000 2.012 367 L HA -0.241 4.100 4.340 0.002 0.000 0.210 367 L C 2.518 179.535 176.870 0.245 0.000 1.073 367 L CA 1.556 56.549 54.840 0.256 0.000 0.748 367 L CB -0.427 41.797 42.059 0.275 0.000 0.891 367 L HN 0.674 nan 8.230 nan 0.000 0.431 368 K N 0.591 121.155 120.400 0.274 0.000 1.988 368 K HA -0.259 4.063 4.320 0.002 0.000 0.221 368 K C 1.415 178.104 176.600 0.148 0.000 1.053 368 K CA 2.385 58.793 56.287 0.201 0.000 0.959 368 K CB -0.132 32.494 32.500 0.210 0.000 0.728 368 K HN 0.460 nan 8.250 nan 0.000 0.447 369 D N -1.542 118.956 120.400 0.163 0.000 2.369 369 D HA -0.026 4.616 4.640 0.002 0.000 0.211 369 D C -0.334 176.050 176.300 0.141 0.000 1.077 369 D CA 0.009 54.081 54.000 0.119 0.000 0.842 369 D CB -0.415 40.432 40.800 0.078 0.000 0.947 369 D HN 0.463 nan 8.370 nan 0.000 0.509 370 N N 0.155 118.963 118.700 0.180 0.000 2.741 370 N HA -0.186 4.556 4.740 0.002 0.000 0.250 370 N C -0.556 175.041 175.510 0.144 0.000 1.115 370 N CA 0.665 53.803 53.050 0.146 0.000 0.724 370 N CB -0.903 37.644 38.487 0.100 0.000 1.090 370 N HN 0.462 nan 8.380 nan 0.000 0.558 371 S N -0.714 115.115 115.700 0.216 0.000 2.586 371 S HA 0.488 4.960 4.470 0.002 0.000 0.274 371 S C 0.508 175.206 174.600 0.162 0.000 1.281 371 S CA -0.773 57.549 58.200 0.203 0.000 1.035 371 S CB 2.172 65.530 63.200 0.264 0.000 0.962 371 S HN 0.096 nan 8.310 nan 0.000 0.512 372 V N 2.923 122.885 119.914 0.079 0.000 2.572 372 V HA 0.446 4.567 4.120 0.002 0.000 0.291 372 V C 1.096 177.148 176.094 -0.070 0.000 1.039 372 V CA 0.074 62.362 62.300 -0.020 0.000 1.055 372 V CB 0.118 31.929 31.823 -0.021 0.000 0.969 372 V HN 1.143 nan 8.190 nan 0.000 0.482 373 A N 4.354 127.003 122.820 -0.284 0.000 2.332 373 A HA 0.799 5.120 4.320 0.002 0.000 0.258 373 A C 0.293 177.745 177.584 -0.221 0.000 1.087 373 A CA 0.125 51.910 52.037 -0.421 0.000 0.802 373 A CB 0.697 19.268 19.000 -0.715 0.000 1.042 373 A HN 1.613 nan 8.150 nan 0.000 0.489 374 A N 1.565 124.273 122.820 -0.186 0.000 2.611 374 A HA 0.534 4.855 4.320 0.002 0.000 0.282 374 A C -0.559 176.728 177.584 -0.494 0.000 1.114 374 A CA -0.442 51.414 52.037 -0.302 0.000 0.800 374 A CB 0.378 19.212 19.000 -0.278 0.000 1.325 374 A HN 1.127 nan 8.150 nan 0.000 0.411 375 V N 4.583 124.303 119.914 -0.323 0.000 2.617 375 V HA 0.057 4.178 4.120 0.002 0.000 0.304 375 V C 0.307 176.207 176.094 -0.323 0.000 1.040 375 V CA 0.402 62.565 62.300 -0.228 0.000 1.149 375 V CB -0.159 31.578 31.823 -0.143 0.000 0.914 375 V HN 0.767 nan 8.190 nan 0.000 0.487 376 H N 4.215 123.291 119.070 0.010 0.000 2.459 376 H HA 0.420 4.978 4.556 0.002 0.000 0.332 376 H C -0.254 175.079 175.328 0.009 0.000 1.094 376 H CA -0.559 55.498 56.048 0.014 0.000 1.224 376 H CB 1.671 31.452 29.762 0.031 0.000 1.449 376 H HN 0.600 nan 8.280 nan 0.000 0.484 377 N N 2.621 121.382 118.700 0.103 0.000 2.295 377 N HA 0.177 4.918 4.740 0.002 0.000 0.293 377 N C -1.328 174.221 175.510 0.065 0.000 1.040 377 N CA -0.528 52.559 53.050 0.063 0.000 0.840 377 N CB 2.511 41.012 38.487 0.024 0.000 1.468 377 N HN 0.645 nan 8.380 nan 0.000 0.478 378 K N 1.546 121.979 120.400 0.056 0.000 2.468 378 K HA 0.610 4.931 4.320 0.002 0.000 0.252 378 K C -1.710 174.918 176.600 0.047 0.000 0.932 378 K CA -0.420 55.898 56.287 0.052 0.000 0.794 378 K CB 1.667 34.193 32.500 0.043 0.000 1.241 378 K HN 0.541 nan 8.250 nan 0.000 0.428 379 T N 1.433 116.023 114.554 0.060 0.000 2.893 379 T HA 0.298 4.649 4.350 0.002 0.000 0.337 379 T C -1.971 172.783 174.700 0.089 0.000 1.587 379 T CA -0.744 61.395 62.100 0.066 0.000 1.066 379 T CB 1.338 70.251 68.868 0.074 0.000 1.414 379 T HN 0.600 nan 8.240 nan 0.000 0.488 380 D N 1.379 121.813 120.400 0.057 0.000 2.326 380 D HA 0.734 5.375 4.640 0.002 0.000 0.248 380 D C -0.617 175.731 176.300 0.079 0.000 1.001 380 D CA 0.194 54.187 54.000 -0.012 0.000 0.961 380 D CB 1.466 42.211 40.800 -0.092 0.000 1.183 380 D HN 0.679 nan 8.370 nan 0.000 0.502 381 Y N -2.310 117.929 120.300 -0.102 0.000 2.764 381 Y HA 0.651 5.202 4.550 0.002 0.000 0.331 381 Y C -1.626 174.150 175.900 -0.207 0.000 1.280 381 Y CA -1.197 56.843 58.100 -0.101 0.000 1.065 381 Y CB 1.188 39.633 38.460 -0.025 0.000 1.319 381 Y HN 0.195 nan 8.280 nan 0.000 0.453 382 I N 2.115 122.680 120.570 -0.009 0.000 2.468 382 I HA 0.255 4.426 4.170 0.002 0.000 0.284 382 I C -0.774 175.267 176.117 -0.127 0.000 1.038 382 I CA -0.612 60.566 61.300 -0.202 0.000 1.083 382 I CB 1.758 39.644 38.000 -0.190 0.000 1.223 382 I HN 0.659 nan 8.210 nan 0.000 0.443 383 E N 4.147 124.173 120.200 -0.291 0.000 2.392 383 E HA 0.431 4.782 4.350 0.002 0.000 0.259 383 E C -0.544 176.009 176.600 -0.078 0.000 1.108 383 E CA 0.065 56.282 56.400 -0.306 0.000 0.916 383 E CB 1.225 30.744 29.700 -0.302 0.000 0.989 383 E HN 0.463 nan 8.360 nan 0.000 0.432 384 T N 0.082 114.652 114.554 0.027 0.000 2.792 384 T HA 0.483 4.834 4.350 0.002 0.000 0.303 384 T C -1.001 173.733 174.700 0.055 0.000 1.310 384 T CA -0.879 61.247 62.100 0.045 0.000 1.007 384 T CB 1.909 70.817 68.868 0.065 0.000 1.335 384 T HN 0.616 nan 8.240 nan 0.000 0.504 385 T N -0.729 113.849 114.554 0.040 0.000 3.041 385 T HA 0.692 5.043 4.350 0.002 0.000 0.321 385 T C -1.491 173.224 174.700 0.025 0.000 1.184 385 T CA -0.692 61.427 62.100 0.031 0.000 1.050 385 T CB 1.380 70.263 68.868 0.025 0.000 1.159 385 T HN 0.786 nan 8.240 nan 0.000 0.469 386 S N 1.698 117.410 115.700 0.019 0.000 2.707 386 S HA 0.645 5.116 4.470 0.002 0.000 0.303 386 S C -0.112 174.495 174.600 0.011 0.000 1.132 386 S CA -0.769 57.442 58.200 0.019 0.000 1.046 386 S CB 1.007 64.216 63.200 0.015 0.000 1.004 386 S HN 1.261 nan 8.310 nan 0.000 0.483 387 T N 0.031 114.604 114.554 0.031 0.000 2.749 387 T HA 0.544 4.895 4.350 0.002 0.000 0.287 387 T C -0.338 174.343 174.700 -0.032 0.000 0.970 387 T CA -0.580 61.506 62.100 -0.024 0.000 0.980 387 T CB 0.742 69.602 68.868 -0.013 0.000 0.924 387 T HN 0.567 nan 8.240 nan 0.000 0.456 388 E N 2.203 122.336 120.200 -0.111 0.000 2.354 388 E HA 0.480 4.832 4.350 0.002 0.000 0.269 388 E C -1.207 175.270 176.600 -0.205 0.000 1.036 388 E CA -0.061 56.304 56.400 -0.057 0.000 0.876 388 E CB 0.588 30.263 29.700 -0.042 0.000 1.009 388 E HN 0.708 nan 8.360 nan 0.000 0.416 389 Y N 0.016 120.402 120.300 0.144 0.000 2.581 389 Y HA 0.530 5.081 4.550 0.002 0.000 0.345 389 Y C -0.591 175.384 175.900 0.126 0.000 1.036 389 Y CA -0.738 57.446 58.100 0.141 0.000 1.042 389 Y CB 2.470 41.053 38.460 0.205 0.000 1.289 389 Y HN 0.378 nan 8.280 nan 0.000 0.471 390 S N 1.075 116.935 115.700 0.267 0.000 2.546 390 S HA 0.395 4.866 4.470 0.002 0.000 0.272 390 S C -1.502 173.163 174.600 0.109 0.000 1.140 390 S CA -1.476 56.819 58.200 0.159 0.000 0.920 390 S CB 1.534 64.791 63.200 0.095 0.000 1.083 390 S HN 0.517 nan 8.310 nan 0.000 0.476 391 K N 1.025 121.469 120.400 0.072 0.000 2.380 391 K HA 0.587 4.908 4.320 0.002 0.000 0.267 391 K C 0.671 177.263 176.600 -0.013 0.000 0.990 391 K CA -0.510 55.784 56.287 0.011 0.000 0.946 391 K CB 0.170 32.671 32.500 0.002 0.000 0.937 391 K HN 0.675 nan 8.250 nan 0.000 0.491 392 G N 0.093 108.856 108.800 -0.061 0.000 3.058 392 G HA2 0.587 4.548 3.960 0.002 0.000 0.282 392 G HA3 0.587 4.548 3.960 0.002 0.000 0.282 392 G C -1.488 173.332 174.900 -0.134 0.000 1.248 392 G CA -0.777 44.279 45.100 -0.074 0.000 0.822 392 G HN 0.614 nan 8.290 nan 0.000 0.579 393 K N -0.834 119.471 120.400 -0.158 0.000 2.575 393 K HA 0.466 4.787 4.320 0.002 0.000 0.279 393 K C -1.801 174.648 176.600 -0.252 0.000 0.969 393 K CA -0.726 55.431 56.287 -0.216 0.000 0.868 393 K CB 1.633 34.030 32.500 -0.171 0.000 1.457 393 K HN 0.456 nan 8.250 nan 0.000 0.426 394 I N 1.716 122.089 120.570 -0.329 0.000 2.315 394 I HA 0.221 4.393 4.170 0.002 0.000 0.291 394 I C -0.629 175.281 176.117 -0.345 0.000 1.006 394 I CA -0.797 60.289 61.300 -0.356 0.000 1.265 394 I CB 1.008 38.738 38.000 -0.450 0.000 1.387 394 I HN 0.514 nan 8.210 nan 0.000 0.475 395 N N 7.619 126.146 118.700 -0.288 0.000 2.546 395 N HA 0.442 5.183 4.740 0.002 0.000 0.238 395 N C -1.070 174.285 175.510 -0.259 0.000 0.984 395 N CA -0.537 52.363 53.050 -0.251 0.000 0.935 395 N CB 1.153 39.534 38.487 -0.178 0.000 1.122 395 N HN 0.387 nan 8.380 nan 0.000 0.510 396 L N 1.379 122.401 121.223 -0.335 0.000 2.312 396 L HA 0.432 4.774 4.340 0.002 0.000 0.281 396 L C -0.028 176.741 176.870 -0.169 0.000 1.070 396 L CA -0.310 54.327 54.840 -0.337 0.000 0.805 396 L CB 0.935 42.578 42.059 -0.693 0.000 1.174 396 L HN 0.520 nan 8.230 nan 0.000 0.434 397 D N 1.702 122.091 120.400 -0.018 0.000 2.479 397 D HA 0.094 4.735 4.640 0.002 0.000 0.246 397 D C -1.438 174.981 176.300 0.200 0.000 1.336 397 D CA -0.491 53.520 54.000 0.019 0.000 0.967 397 D CB 1.191 41.967 40.800 -0.041 0.000 1.275 397 D HN 0.460 nan 8.370 nan 0.000 0.577 398 H N 2.028 121.174 119.070 0.127 0.000 2.556 398 H HA 0.379 4.937 4.556 0.002 0.000 0.310 398 H C -0.191 175.124 175.328 -0.022 0.000 1.057 398 H CA -0.575 55.567 56.048 0.158 0.000 1.264 398 H CB 1.067 31.014 29.762 0.309 0.000 1.404 398 H HN 0.194 nan 8.280 nan 0.000 0.462 399 S N 2.256 118.139 115.700 0.304 0.000 2.952 399 S HA 0.315 4.786 4.470 0.002 0.000 0.251 399 S C 0.707 175.374 174.600 0.113 0.000 1.021 399 S CA -0.183 58.052 58.200 0.058 0.000 1.067 399 S CB -0.065 63.154 63.200 0.032 0.000 1.002 399 S HN 0.668 nan 8.310 nan 0.000 0.574 400 G N 0.737 109.631 108.800 0.156 0.000 2.420 400 G HA2 0.574 4.535 3.960 0.002 0.000 0.284 400 G HA3 0.574 4.535 3.960 0.002 0.000 0.284 400 G C 0.410 175.144 174.900 -0.277 0.000 1.177 400 G CA -0.483 44.545 45.100 -0.120 0.000 0.841 400 G HN 0.645 nan 8.290 nan 0.000 0.527 401 A N 1.757 124.569 122.820 -0.012 0.000 2.958 401 A HA 0.547 4.868 4.320 0.002 0.000 0.247 401 A C -0.227 177.451 177.584 0.157 0.000 1.679 401 A CA -0.161 51.912 52.037 0.060 0.000 1.345 401 A CB -1.320 17.762 19.000 0.138 0.000 1.013 401 A HN 0.994 nan 8.150 nan 0.000 0.641 402 Y N -4.566 115.809 120.300 0.124 0.000 2.725 402 Y HA 0.614 5.165 4.550 0.002 0.000 0.333 402 Y C -0.828 175.138 175.900 0.109 0.000 1.242 402 Y CA -1.792 56.341 58.100 0.055 0.000 1.059 402 Y CB 0.630 39.078 38.460 -0.019 0.000 1.306 402 Y HN -0.150 nan 8.280 nan 0.000 0.454 403 V N 1.717 121.746 119.914 0.191 0.000 2.439 403 V HA 0.852 4.973 4.120 0.002 0.000 0.282 403 V C 0.068 176.185 176.094 0.038 0.000 1.039 403 V CA 0.014 62.368 62.300 0.089 0.000 0.913 403 V CB 0.522 32.333 31.823 -0.020 0.000 0.983 403 V HN 1.064 nan 8.190 nan 0.000 0.460 404 A N 4.634 127.452 122.820 -0.003 0.000 2.469 404 A HA 0.864 5.186 4.320 0.002 0.000 0.299 404 A C -0.941 176.544 177.584 -0.164 0.000 1.098 404 A CA -0.775 51.159 52.037 -0.171 0.000 0.737 404 A CB 1.879 20.646 19.000 -0.387 0.000 1.312 404 A HN 0.738 nan 8.150 nan 0.000 0.414 405 Q N 0.384 120.122 119.800 -0.103 0.000 2.337 405 Q HA 0.559 4.901 4.340 0.002 0.000 0.270 405 Q C -1.730 174.261 176.000 -0.015 0.000 1.043 405 Q CA -0.242 55.594 55.803 0.055 0.000 0.794 405 Q CB 2.405 31.372 28.738 0.381 0.000 1.281 405 Q HN 0.630 nan 8.270 nan 0.000 0.446 406 F N 0.874 120.905 119.950 0.135 0.000 2.403 406 F HA 0.352 4.880 4.527 0.002 0.000 0.326 406 F C 0.535 176.258 175.800 -0.128 0.000 1.081 406 F CA -0.524 57.565 58.000 0.147 0.000 1.041 406 F CB 1.389 40.589 39.000 0.334 0.000 1.234 406 F HN 0.417 nan 8.300 nan 0.000 0.503 407 E N 2.012 122.303 120.200 0.152 0.000 2.460 407 E HA 0.436 4.788 4.350 0.002 0.000 0.249 407 E C -2.009 174.659 176.600 0.113 0.000 0.962 407 E CA -0.263 56.065 56.400 -0.121 0.000 0.787 407 E CB 1.552 31.195 29.700 -0.094 0.000 1.341 407 E HN 0.411 nan 8.360 nan 0.000 0.407 408 V N 2.620 122.635 119.914 0.169 0.000 2.409 408 V HA 0.847 4.968 4.120 0.002 0.000 0.291 408 V C -0.259 176.009 176.094 0.290 0.000 1.020 408 V CA -0.417 62.015 62.300 0.220 0.000 0.848 408 V CB 1.294 33.201 31.823 0.139 0.000 0.990 408 V HN 0.713 nan 8.190 nan 0.000 0.430 409 A N 4.705 127.702 122.820 0.295 0.000 2.587 409 A HA 1.047 5.368 4.320 0.002 0.000 0.293 409 A C -1.576 176.210 177.584 0.336 0.000 1.087 409 A CA -0.615 51.480 52.037 0.097 0.000 0.692 409 A CB 1.847 20.864 19.000 0.029 0.000 1.291 409 A HN 1.385 nan 8.150 nan 0.000 0.407 410 W N -0.180 121.044 121.300 -0.127 0.000 2.895 410 W HA 0.746 5.408 4.660 0.002 0.000 0.377 410 W C -1.904 174.580 176.519 -0.058 0.000 1.191 410 W CA -0.550 56.771 57.345 -0.041 0.000 1.179 410 W CB 0.535 29.956 29.460 -0.065 0.000 1.469 410 W HN 0.505 nan 8.180 nan 0.000 0.577 411 D N 0.522 121.038 120.400 0.193 0.000 2.433 411 D HA 0.341 4.982 4.640 0.002 0.000 0.236 411 D C -1.288 175.080 176.300 0.112 0.000 1.026 411 D CA -0.654 53.392 54.000 0.077 0.000 0.884 411 D CB 2.189 43.054 40.800 0.109 0.000 1.384 411 D HN 0.446 nan 8.370 nan 0.000 0.477 412 E N 0.719 120.928 120.200 0.016 0.000 2.145 412 E HA 0.302 4.653 4.350 0.002 0.000 0.262 412 E C -0.715 175.835 176.600 -0.084 0.000 0.883 412 E CA -0.655 55.741 56.400 -0.006 0.000 0.748 412 E CB 2.450 32.162 29.700 0.020 0.000 1.140 412 E HN 0.077 nan 8.360 nan 0.000 0.417 413 V N 3.229 123.043 119.914 -0.166 0.000 2.715 413 V HA 0.239 4.360 4.120 0.002 0.000 0.299 413 V C -0.579 175.396 176.094 -0.199 0.000 1.054 413 V CA 0.479 62.637 62.300 -0.236 0.000 1.077 413 V CB 1.144 32.799 31.823 -0.280 0.000 0.972 413 V HN 0.704 nan 8.190 nan 0.000 0.484 414 S N 4.910 120.409 115.700 -0.335 0.000 2.607 414 S HA 0.730 5.201 4.470 0.002 0.000 0.273 414 S C -1.691 172.613 174.600 -0.493 0.000 1.148 414 S CA -0.526 57.557 58.200 -0.195 0.000 0.833 414 S CB 1.745 64.909 63.200 -0.061 0.000 1.130 414 S HN 0.602 nan 8.310 nan 0.000 0.470 415 Y N 1.165 121.516 120.300 0.085 0.000 2.354 415 Y HA 0.329 4.880 4.550 0.002 0.000 0.330 415 Y C 0.208 176.127 175.900 0.033 0.000 1.011 415 Y CA -1.112 57.021 58.100 0.055 0.000 1.099 415 Y CB 1.158 39.655 38.460 0.062 0.000 1.179 415 Y HN 0.832 nan 8.280 nan 0.000 0.442 416 D N 1.054 121.537 120.400 0.138 0.000 2.228 416 D HA 0.039 4.680 4.640 0.002 0.000 0.259 416 D C 0.671 177.013 176.300 0.070 0.000 1.249 416 D CA -0.033 54.015 54.000 0.079 0.000 0.997 416 D CB 0.753 41.580 40.800 0.046 0.000 1.151 416 D HN 0.447 nan 8.370 nan 0.000 0.536 417 K N -1.013 119.408 120.400 0.034 0.000 2.228 417 K HA -0.029 4.292 4.320 0.002 0.000 0.202 417 K C 1.390 177.983 176.600 -0.012 0.000 1.051 417 K CA 0.791 57.085 56.287 0.012 0.000 0.960 417 K CB 0.020 32.522 32.500 0.003 0.000 0.743 417 K HN 0.372 nan 8.250 nan 0.000 0.458 418 E N 0.053 120.249 120.200 -0.007 0.000 2.489 418 E HA 0.034 4.385 4.350 0.002 0.000 0.193 418 E C 0.693 177.274 176.600 -0.033 0.000 1.057 418 E CA 0.422 56.800 56.400 -0.036 0.000 0.866 418 E CB 0.260 29.946 29.700 -0.024 0.000 0.916 418 E HN 0.374 nan 8.360 nan 0.000 0.500 419 G N 2.345 111.157 108.800 0.018 0.000 2.326 419 G HA2 -0.208 3.754 3.960 0.002 0.000 0.286 419 G HA3 -0.208 3.754 3.960 0.002 0.000 0.286 419 G C -0.432 174.544 174.900 0.126 0.000 1.096 419 G CA -0.121 45.007 45.100 0.046 0.000 1.003 419 G HN 0.142 nan 8.290 nan 0.000 0.503 420 N N -0.031 118.782 118.700 0.188 0.000 2.272 420 N HA 0.388 5.129 4.740 0.002 0.000 0.305 420 N C -0.141 175.496 175.510 0.212 0.000 1.103 420 N CA -0.734 52.423 53.050 0.179 0.000 0.791 420 N CB 1.682 40.215 38.487 0.077 0.000 1.356 420 N HN 0.518 nan 8.380 nan 0.000 0.486 421 E N 0.627 120.911 120.200 0.140 0.000 2.384 421 E HA 0.189 4.540 4.350 0.002 0.000 0.266 421 E C -1.032 175.482 176.600 -0.145 0.000 1.012 421 E CA -0.021 56.307 56.400 -0.120 0.000 0.901 421 E CB 0.598 30.280 29.700 -0.031 0.000 0.967 421 E HN 0.186 nan 8.360 nan 0.000 0.435 422 V N 6.730 126.491 119.914 -0.254 0.000 2.439 422 V HA 0.185 4.306 4.120 0.002 0.000 0.277 422 V C -0.427 175.583 176.094 -0.141 0.000 1.008 422 V CA -0.583 61.631 62.300 -0.143 0.000 0.846 422 V CB 0.883 32.645 31.823 -0.102 0.000 1.031 422 V HN 0.606 nan 8.190 nan 0.000 0.441 423 L N 3.727 124.893 121.223 -0.095 0.000 2.315 423 L HA 0.440 4.781 4.340 0.002 0.000 0.283 423 L C 0.521 177.370 176.870 -0.034 0.000 1.089 423 L CA 0.278 55.079 54.840 -0.065 0.000 0.833 423 L CB 0.935 42.972 42.059 -0.036 0.000 1.170 423 L HN 0.485 nan 8.230 nan 0.000 0.442 424 T N 1.762 116.296 114.554 -0.033 0.000 2.770 424 T HA 0.184 4.535 4.350 0.002 0.000 0.297 424 T C -0.251 174.429 174.700 -0.032 0.000 0.997 424 T CA -0.402 61.683 62.100 -0.025 0.000 0.949 424 T CB 0.078 68.926 68.868 -0.033 0.000 0.941 424 T HN 0.344 nan 8.240 nan 0.000 0.457 425 H N 3.619 122.609 119.070 -0.134 0.000 2.732 425 H HA 0.405 4.963 4.556 0.002 0.000 0.351 425 H C 0.031 175.173 175.328 -0.311 0.000 1.090 425 H CA 0.400 56.326 56.048 -0.204 0.000 1.431 425 H CB 0.442 30.115 29.762 -0.150 0.000 1.447 425 H HN 0.221 nan 8.280 nan 0.000 0.582 426 K N 2.510 122.249 120.400 -1.102 0.000 2.435 426 K HA 0.395 4.716 4.320 0.002 0.000 0.251 426 K C -0.791 174.934 176.600 -1.458 0.000 0.954 426 K CA -0.765 54.834 56.287 -1.146 0.000 0.820 426 K CB 1.976 33.728 32.500 -1.246 0.000 1.292 426 K HN 0.848 nan 8.250 nan 0.000 0.436 427 T N -2.692 111.323 114.554 -0.898 0.000 2.883 427 T HA 0.520 4.871 4.350 0.002 0.000 0.296 427 T C -1.148 173.462 174.700 -0.150 0.000 1.117 427 T CA -0.841 60.941 62.100 -0.529 0.000 1.006 427 T CB 1.503 70.229 68.868 -0.237 0.000 1.191 427 T HN 0.543 nan 8.240 nan 0.000 0.508 428 W N 1.335 122.575 121.300 -0.099 0.000 2.438 428 W HA 0.464 5.125 4.660 0.002 0.000 0.324 428 W C 0.142 176.641 176.519 -0.034 0.000 1.119 428 W CA -0.720 56.651 57.345 0.044 0.000 1.221 428 W CB 0.712 30.238 29.460 0.111 0.000 1.253 428 W HN 0.845 nan 8.180 nan 0.000 0.555 429 D N 2.390 122.485 120.400 -0.507 0.000 2.092 429 D HA -0.114 4.528 4.640 0.002 0.000 0.193 429 D C 2.140 177.896 176.300 -0.906 0.000 0.994 429 D CA 2.167 55.826 54.000 -0.569 0.000 0.828 429 D CB -0.602 39.959 40.800 -0.398 0.000 0.963 429 D HN 0.604 nan 8.370 nan 0.000 0.450 430 G N -0.135 107.521 108.800 -1.908 0.000 2.843 430 G HA2 -0.165 3.796 3.960 0.002 0.000 0.205 430 G HA3 -0.165 3.796 3.960 0.002 0.000 0.205 430 G C 0.278 174.526 174.900 -1.087 0.000 1.160 430 G CA -0.048 43.975 45.100 -1.795 0.000 0.819 430 G HN 0.098 nan 8.290 nan 0.000 0.516 431 N N -0.031 118.229 118.700 -0.733 0.000 2.513 431 N HA 0.267 5.008 4.740 0.002 0.000 0.268 431 N C 0.092 175.260 175.510 -0.569 0.000 1.180 431 N CA -0.283 52.414 53.050 -0.588 0.000 0.948 431 N CB 0.073 38.117 38.487 -0.738 0.000 1.083 431 N HN 0.367 nan 8.380 nan 0.000 0.455 432 Y N -1.918 118.255 120.300 -0.212 0.000 4.177 432 Y HA -0.318 4.233 4.550 0.002 0.000 0.227 432 Y C -0.122 175.741 175.900 -0.060 0.000 1.154 432 Y CA 0.216 58.194 58.100 -0.204 0.000 1.887 432 Y CB -2.088 36.206 38.460 -0.278 0.000 1.594 432 Y HN 0.528 nan 8.280 nan 0.000 0.668 433 Q N 0.828 120.629 119.800 0.003 0.000 2.333 433 Q HA 0.285 4.626 4.340 0.002 0.000 0.267 433 Q C -0.353 175.653 176.000 0.009 0.000 1.012 433 Q CA -1.163 54.634 55.803 -0.010 0.000 0.824 433 Q CB 1.475 30.139 28.738 -0.123 0.000 1.290 433 Q HN 0.079 nan 8.270 nan 0.000 0.449 434 D N 2.706 123.126 120.400 0.033 0.000 2.419 434 D HA 0.077 4.718 4.640 0.002 0.000 0.236 434 D C -0.285 175.996 176.300 -0.033 0.000 1.165 434 D CA 0.711 54.722 54.000 0.018 0.000 0.882 434 D CB 0.689 41.507 40.800 0.029 0.000 1.201 434 D HN 0.147 nan 8.370 nan 0.000 0.443 435 K N 0.667 121.067 120.400 0.001 0.000 2.523 435 K HA 0.421 4.743 4.320 0.002 0.000 0.257 435 K C -0.150 176.510 176.600 0.100 0.000 0.932 435 K CA -0.660 55.627 56.287 -0.000 0.000 0.812 435 K CB 2.051 34.553 32.500 0.002 0.000 1.326 435 K HN 0.567 nan 8.250 nan 0.000 0.433 436 T N -2.725 111.820 114.554 -0.015 0.000 2.773 436 T HA 0.665 5.016 4.350 0.002 0.000 0.278 436 T C -0.002 174.488 174.700 -0.351 0.000 1.011 436 T CA -0.836 61.163 62.100 -0.169 0.000 1.014 436 T CB 1.055 69.887 68.868 -0.060 0.000 1.293 436 T HN 0.544 nan 8.240 nan 0.000 0.554 437 A N 1.969 124.608 122.820 -0.300 0.000 2.494 437 A HA 0.072 4.393 4.320 0.002 0.000 0.291 437 A C 0.784 178.336 177.584 -0.054 0.000 0.951 437 A CA 0.942 52.856 52.037 -0.205 0.000 1.099 437 A CB -1.880 17.077 19.000 -0.072 0.000 0.783 437 A HN 1.377 nan 8.150 nan 0.000 0.433 438 H N 0.341 119.306 119.070 -0.174 0.000 2.861 438 H HA -0.238 4.320 4.556 0.002 0.000 0.319 438 H C -1.049 174.301 175.328 0.037 0.000 0.994 438 H CA 1.714 57.736 56.048 -0.044 0.000 1.032 438 H CB -1.118 28.627 29.762 -0.028 0.000 1.615 438 H HN 0.883 nan 8.280 nan 0.000 0.357 439 Y N 2.888 123.212 120.300 0.040 0.000 2.341 439 Y HA 0.538 5.089 4.550 0.002 0.000 0.338 439 Y C -0.736 175.241 175.900 0.129 0.000 0.965 439 Y CA -0.217 57.969 58.100 0.144 0.000 1.108 439 Y CB 1.327 39.898 38.460 0.185 0.000 1.180 439 Y HN 0.347 nan 8.280 nan 0.000 0.458 440 S N 3.489 118.821 115.700 -0.615 0.000 2.568 440 S HA 0.794 5.266 4.470 0.002 0.000 0.293 440 S C -1.059 173.110 174.600 -0.719 0.000 1.089 440 S CA -0.698 57.213 58.200 -0.482 0.000 0.945 440 S CB 2.018 65.139 63.200 -0.132 0.000 1.077 440 S HN 0.757 nan 8.310 nan 0.000 0.485 441 T N 0.793 115.090 114.554 -0.429 0.000 2.907 441 T HA 0.456 4.808 4.350 0.002 0.000 0.344 441 T C -2.103 172.470 174.700 -0.213 0.000 1.675 441 T CA -0.339 61.606 62.100 -0.257 0.000 1.076 441 T CB 0.921 69.749 68.868 -0.068 0.000 1.483 441 T HN 0.346 nan 8.240 nan 0.000 0.487 442 V N 4.502 124.333 119.914 -0.140 0.000 2.540 442 V HA 0.618 4.740 4.120 0.002 0.000 0.302 442 V C -0.352 175.638 176.094 -0.173 0.000 1.035 442 V CA -0.735 61.461 62.300 -0.173 0.000 0.873 442 V CB 1.673 33.424 31.823 -0.119 0.000 0.992 442 V HN 0.744 nan 8.190 nan 0.000 0.428 443 I N 6.592 126.985 120.570 -0.294 0.000 2.428 443 I HA 0.371 4.542 4.170 0.002 0.000 0.279 443 I C -2.532 173.413 176.117 -0.288 0.000 1.040 443 I CA -1.939 59.174 61.300 -0.312 0.000 1.171 443 I CB 1.569 39.211 38.000 -0.597 0.000 1.312 443 I HN 0.398 nan 8.210 nan 0.000 0.470 444 P HA 0.307 nan 4.420 nan 0.000 0.272 444 P C -0.781 176.373 177.300 -0.243 0.000 1.223 444 P CA -0.079 62.922 63.100 -0.165 0.000 0.784 444 P CB 0.856 32.513 31.700 -0.073 0.000 0.923 445 L N 1.575 122.646 121.223 -0.253 0.000 2.401 445 L HA 0.364 4.705 4.340 0.002 0.000 0.266 445 L C 0.495 177.268 176.870 -0.162 0.000 0.991 445 L CA -1.045 53.598 54.840 -0.329 0.000 0.818 445 L CB 1.941 43.708 42.059 -0.487 0.000 1.321 445 L HN 0.239 nan 8.230 nan 0.000 0.413 446 E N 0.751 120.891 120.200 -0.102 0.000 2.392 446 E HA 0.137 4.488 4.350 0.002 0.000 0.256 446 E C 0.586 177.137 176.600 -0.082 0.000 1.145 446 E CA 0.157 56.536 56.400 -0.035 0.000 0.929 446 E CB 1.324 31.034 29.700 0.017 0.000 0.998 446 E HN 0.692 nan 8.360 nan 0.000 0.442 447 A N 2.422 125.231 122.820 -0.018 0.000 2.121 447 A HA -0.165 4.157 4.320 0.002 0.000 0.218 447 A C 0.985 178.358 177.584 -0.352 0.000 1.154 447 A CA 1.128 53.154 52.037 -0.018 0.000 0.679 447 A CB -0.480 18.651 19.000 0.220 0.000 0.795 447 A HN 0.535 nan 8.150 nan 0.000 0.458 448 N N 0.223 118.561 118.700 -0.603 0.000 2.558 448 N HA 0.377 5.118 4.740 0.002 0.000 0.281 448 N C -0.254 174.974 175.510 -0.471 0.000 1.219 448 N CA 0.474 52.904 53.050 -1.032 0.000 0.942 448 N CB -0.023 37.562 38.487 -1.504 0.000 1.241 448 N HN 0.224 nan 8.380 nan 0.000 0.511 449 A N 1.062 123.698 122.820 -0.305 0.000 2.260 449 A HA 0.704 5.025 4.320 0.002 0.000 0.308 449 A C -0.051 177.472 177.584 -0.102 0.000 1.254 449 A CA -0.545 51.421 52.037 -0.119 0.000 0.874 449 A CB 0.614 19.483 19.000 -0.218 0.000 1.153 449 A HN 0.348 nan 8.150 nan 0.000 0.527 450 R N 0.981 121.482 120.500 0.002 0.000 2.888 450 R HA 0.531 4.872 4.340 0.002 0.000 0.266 450 R C -0.144 176.223 176.300 0.112 0.000 1.020 450 R CA -0.585 55.523 56.100 0.014 0.000 0.963 450 R CB 0.615 30.897 30.300 -0.030 0.000 1.197 450 R HN 0.848 nan 8.270 nan 0.000 0.481 451 N N -0.034 118.729 118.700 0.105 0.000 2.714 451 N HA -0.208 4.533 4.740 0.002 0.000 0.252 451 N C -1.000 174.628 175.510 0.197 0.000 1.014 451 N CA 0.228 53.365 53.050 0.145 0.000 0.735 451 N CB -1.346 37.226 38.487 0.142 0.000 0.924 451 N HN 0.394 nan 8.380 nan 0.000 0.540 452 I N 1.148 121.820 120.570 0.169 0.000 2.517 452 I HA 0.055 4.226 4.170 0.002 0.000 0.285 452 I C 0.864 177.068 176.117 0.145 0.000 1.106 452 I CA 0.153 61.560 61.300 0.178 0.000 1.402 452 I CB 0.292 38.323 38.000 0.052 0.000 1.399 452 I HN 0.161 nan 8.210 nan 0.000 0.535 453 R N 6.915 127.510 120.500 0.157 0.000 2.480 453 R HA 0.772 5.113 4.340 0.002 0.000 0.306 453 R C -1.288 175.033 176.300 0.036 0.000 0.958 453 R CA -0.746 55.385 56.100 0.050 0.000 0.861 453 R CB 1.608 31.917 30.300 0.016 0.000 1.171 453 R HN 0.489 nan 8.270 nan 0.000 0.445 454 I N 2.611 123.168 120.570 -0.021 0.000 2.410 454 I HA 0.371 4.542 4.170 0.002 0.000 0.286 454 I C -0.449 175.689 176.117 0.036 0.000 1.009 454 I CA -0.639 60.671 61.300 0.016 0.000 1.111 454 I CB 1.876 39.865 38.000 -0.017 0.000 1.262 454 I HN 0.567 nan 8.210 nan 0.000 0.443 455 K N 4.997 125.478 120.400 0.136 0.000 2.371 455 K HA 0.890 5.212 4.320 0.002 0.000 0.251 455 K C -1.519 175.276 176.600 0.325 0.000 0.934 455 K CA -0.629 55.776 56.287 0.196 0.000 0.798 455 K CB 2.421 35.069 32.500 0.246 0.000 1.204 455 K HN 0.677 nan 8.250 nan 0.000 0.427 456 A N 3.558 126.509 122.820 0.219 0.000 2.381 456 A HA 0.620 4.941 4.320 0.002 0.000 0.299 456 A C -1.324 176.282 177.584 0.036 0.000 1.049 456 A CA -0.732 51.337 52.037 0.053 0.000 0.715 456 A CB 1.334 20.253 19.000 -0.136 0.000 1.222 456 A HN 0.750 nan 8.150 nan 0.000 0.428 457 R N 1.011 121.591 120.500 0.133 0.000 2.711 457 R HA 0.484 4.825 4.340 0.002 0.000 0.284 457 R C 0.214 176.472 176.300 -0.069 0.000 0.968 457 R CA -0.555 55.565 56.100 0.032 0.000 0.924 457 R CB 1.612 31.901 30.300 -0.019 0.000 1.162 457 R HN 0.896 nan 8.270 nan 0.000 0.465 458 E N 1.295 121.367 120.200 -0.215 0.000 2.855 458 E HA 0.093 4.445 4.350 0.002 0.000 0.259 458 E C -0.616 175.527 176.600 -0.762 0.000 1.390 458 E CA -0.220 55.939 56.400 -0.402 0.000 1.069 458 E CB 0.806 30.197 29.700 -0.515 0.000 1.172 458 E HN 0.600 nan 8.360 nan 0.000 0.668 459 C N 1.486 120.240 119.300 -0.910 0.000 2.667 459 C HA 0.288 4.749 4.460 0.002 0.000 0.261 459 C C -0.248 174.257 174.990 -0.809 0.000 1.590 459 C CA -0.375 57.642 59.018 -1.669 0.000 1.668 459 C CB -0.844 26.268 27.740 -1.046 0.000 2.962 459 C HN 0.367 nan 8.230 nan 0.000 0.525 460 T N 2.009 116.313 114.554 -0.417 0.000 2.776 460 T HA 0.515 4.866 4.350 0.002 0.000 0.292 460 T C 0.821 175.739 174.700 0.364 0.000 0.921 460 T CA 1.465 63.579 62.100 0.023 0.000 1.038 460 T CB 0.227 69.096 68.868 0.000 0.000 0.910 460 T HN 1.011 nan 8.240 nan 0.000 0.536 461 G N 2.854 111.830 108.800 0.294 0.000 2.482 461 G HA2 -0.177 3.784 3.960 0.002 0.000 0.214 461 G HA3 -0.177 3.784 3.960 0.002 0.000 0.214 461 G C 0.179 175.268 174.900 0.315 0.000 1.271 461 G CA -0.464 44.791 45.100 0.259 0.000 0.944 461 G HN 0.651 nan 8.290 nan 0.000 0.568 462 L N 0.534 121.777 121.223 0.032 0.000 2.142 462 L HA 0.354 4.695 4.340 0.002 0.000 0.198 462 L C 2.146 178.849 176.870 -0.278 0.000 0.950 462 L CA 1.064 55.777 54.840 -0.210 0.000 2.041 462 L CB -1.230 40.447 42.059 -0.636 0.000 1.839 462 L HN 1.393 nan 8.230 nan 0.000 0.732 463 A N -1.323 121.151 122.820 -0.577 0.000 2.246 463 A HA 0.060 4.381 4.320 0.002 0.000 0.291 463 A C 0.770 177.677 177.584 -1.128 0.000 1.103 463 A CA -0.319 51.365 52.037 -0.589 0.000 0.844 463 A CB -0.199 18.640 19.000 -0.270 0.000 1.136 463 A HN 0.818 nan 8.150 nan 0.000 0.500 464 W N 0.978 121.484 121.300 -1.324 0.000 2.283 464 W HA -0.240 4.422 4.660 0.002 0.000 0.335 464 W C 0.832 177.092 176.519 -0.432 0.000 1.313 464 W CA 2.381 59.122 57.345 -1.007 0.000 1.263 464 W CB -0.295 29.052 29.460 -0.187 0.000 1.141 464 W HN 0.788 nan 8.180 nan 0.000 0.468 465 E N -0.768 119.259 120.200 -0.289 0.000 2.401 465 E HA -0.179 4.173 4.350 0.002 0.000 0.203 465 E C 0.846 176.978 176.600 -0.779 0.000 1.229 465 E CA 0.855 56.889 56.400 -0.609 0.000 1.000 465 E CB -1.198 28.164 29.700 -0.563 0.000 1.052 465 E HN 0.536 nan 8.360 nan 0.000 0.497 466 W N -0.861 120.089 121.300 -0.583 0.000 1.497 466 W HA 0.118 4.779 4.660 0.002 0.000 0.221 466 W C -0.143 176.216 176.519 -0.268 0.000 0.795 466 W CA -0.709 56.401 57.345 -0.391 0.000 1.057 466 W CB 0.219 29.468 29.460 -0.352 0.000 0.935 466 W HN 0.051 nan 8.180 nan 0.000 0.468 467 W N 2.088 123.343 121.300 -0.075 0.000 2.260 467 W HA 0.416 5.077 4.660 0.002 0.000 0.366 467 W C 0.912 177.316 176.519 -0.193 0.000 1.315 467 W CA -1.381 55.892 57.345 -0.120 0.000 1.458 467 W CB -0.016 29.369 29.460 -0.125 0.000 1.255 467 W HN -0.373 nan 8.180 nan 0.000 0.671 468 R N 1.885 122.438 120.500 0.088 0.000 2.441 468 R HA 0.139 4.480 4.340 0.002 0.000 0.284 468 R C -0.394 175.839 176.300 -0.111 0.000 1.070 468 R CA -0.309 55.756 56.100 -0.059 0.000 1.047 468 R CB 0.539 30.771 30.300 -0.113 0.000 1.016 468 R HN 0.336 nan 8.270 nan 0.000 0.477 469 D N 3.324 123.652 120.400 -0.120 0.000 2.256 469 D HA 0.088 4.729 4.640 0.002 0.000 0.250 469 D C 0.521 176.738 176.300 -0.139 0.000 1.093 469 D CA -0.172 53.757 54.000 -0.118 0.000 0.882 469 D CB 2.209 42.960 40.800 -0.082 0.000 1.185 469 D HN 0.339 nan 8.370 nan 0.000 0.437 470 V N 3.115 122.942 119.914 -0.144 0.000 3.379 470 V HA 0.228 4.349 4.120 0.002 0.000 0.249 470 V C 0.745 176.760 176.094 -0.132 0.000 1.184 470 V CA 0.253 62.445 62.300 -0.180 0.000 1.106 470 V CB 0.558 32.260 31.823 -0.202 0.000 0.826 470 V HN 0.495 nan 8.190 nan 0.000 0.465 471 I N -0.669 119.861 120.570 -0.065 0.000 2.731 471 I HA 0.439 4.610 4.170 0.002 0.000 0.289 471 I C -1.507 174.621 176.117 0.019 0.000 1.399 471 I CA 0.012 61.300 61.300 -0.020 0.000 1.048 471 I CB 2.092 40.091 38.000 -0.002 0.000 1.345 471 I HN -0.040 nan 8.210 nan 0.000 0.425 472 S N 6.191 121.910 115.700 0.031 0.000 2.779 472 S HA 0.553 5.024 4.470 0.002 0.000 0.293 472 S C -1.375 173.254 174.600 0.049 0.000 1.150 472 S CA -0.494 57.718 58.200 0.019 0.000 1.057 472 S CB 0.923 64.181 63.200 0.097 0.000 1.021 472 S HN 0.573 nan 8.310 nan 0.000 0.485 473 E N 2.893 123.059 120.200 -0.057 0.000 2.266 473 E HA 0.456 4.807 4.350 0.002 0.000 0.268 473 E C -1.569 174.992 176.600 -0.066 0.000 0.879 473 E CA -0.418 56.014 56.400 0.054 0.000 0.762 473 E CB 1.672 31.413 29.700 0.069 0.000 1.199 473 E HN 0.611 nan 8.360 nan 0.000 0.422 474 Y N -0.077 120.278 120.300 0.092 0.000 2.524 474 Y HA 0.192 4.744 4.550 0.002 0.000 0.344 474 Y C 0.566 176.521 175.900 0.091 0.000 1.012 474 Y CA -0.955 57.200 58.100 0.093 0.000 1.068 474 Y CB 1.154 39.660 38.460 0.077 0.000 1.249 474 Y HN 0.442 nan 8.280 nan 0.000 0.468 475 D N 0.765 121.314 120.400 0.249 0.000 2.697 475 D HA -0.157 4.484 4.640 0.002 0.000 0.235 475 D C -0.938 175.450 176.300 0.147 0.000 1.167 475 D CA 0.366 54.469 54.000 0.172 0.000 0.656 475 D CB -0.413 40.476 40.800 0.148 0.000 1.025 475 D HN 0.257 nan 8.370 nan 0.000 0.419 476 V N 2.337 122.338 119.914 0.146 0.000 2.529 476 V HA 0.119 4.240 4.120 0.002 0.000 0.292 476 V C -1.364 174.820 176.094 0.150 0.000 1.028 476 V CA -0.733 61.670 62.300 0.171 0.000 1.074 476 V CB 0.906 32.819 31.823 0.149 0.000 0.958 476 V HN 0.212 nan 8.190 nan 0.000 0.481 477 P HA 0.039 nan 4.420 nan 0.000 0.264 477 P C -0.342 177.041 177.300 0.139 0.000 1.229 477 P CA -0.412 62.745 63.100 0.095 0.000 0.780 477 P CB 0.591 32.272 31.700 -0.032 0.000 0.808 478 L N 5.419 126.696 121.223 0.090 0.000 2.654 478 L HA 0.118 4.459 4.340 0.002 0.000 0.271 478 L C 0.291 177.218 176.870 0.094 0.000 1.169 478 L CA 1.159 56.033 54.840 0.056 0.000 0.947 478 L CB -0.851 41.215 42.059 0.012 0.000 1.232 478 L HN 0.531 nan 8.230 nan 0.000 0.486 479 T N 0.618 115.231 114.554 0.098 0.000 2.773 479 T HA 0.437 4.789 4.350 0.002 0.000 0.278 479 T C 0.890 175.616 174.700 0.044 0.000 1.011 479 T CA -0.575 61.588 62.100 0.104 0.000 1.014 479 T CB 0.806 69.801 68.868 0.211 0.000 1.293 479 T HN 0.511 nan 8.240 nan 0.000 0.554 480 N N 1.054 119.776 118.700 0.038 0.000 2.270 480 N HA 0.001 4.743 4.740 0.002 0.000 0.181 480 N C -0.265 175.227 175.510 -0.029 0.000 1.016 480 N CA 0.784 53.835 53.050 0.003 0.000 0.870 480 N CB -0.187 38.306 38.487 0.009 0.000 0.979 480 N HN 0.511 nan 8.380 nan 0.000 0.431 481 N N 0.483 119.169 118.700 -0.023 0.000 2.533 481 N HA 0.299 5.040 4.740 0.002 0.000 0.289 481 N C -1.191 174.237 175.510 -0.136 0.000 1.103 481 N CA -0.235 52.769 53.050 -0.077 0.000 0.877 481 N CB 1.939 40.390 38.487 -0.060 0.000 1.419 481 N HN -0.031 nan 8.380 nan 0.000 0.517 482 I N 2.245 122.687 120.570 -0.214 0.000 2.310 482 I HA 0.197 4.368 4.170 0.002 0.000 0.287 482 I C -0.246 175.680 176.117 -0.318 0.000 1.073 482 I CA -0.541 60.539 61.300 -0.367 0.000 1.216 482 I CB 0.017 37.821 38.000 -0.327 0.000 1.415 482 I HN 0.195 nan 8.210 nan 0.000 0.480 483 N N 5.829 124.348 118.700 -0.302 0.000 2.482 483 N HA 0.267 5.008 4.740 0.002 0.000 0.242 483 N C -0.700 174.715 175.510 -0.157 0.000 1.100 483 N CA -0.374 52.559 53.050 -0.195 0.000 0.946 483 N CB 1.029 39.438 38.487 -0.129 0.000 1.227 483 N HN 0.215 nan 8.380 nan 0.000 0.508 484 V N 1.600 121.427 119.914 -0.146 0.000 2.539 484 V HA 0.621 4.742 4.120 0.002 0.000 0.292 484 V C 0.029 176.136 176.094 0.022 0.000 1.045 484 V CA -0.425 61.835 62.300 -0.065 0.000 0.945 484 V CB 1.265 33.029 31.823 -0.098 0.000 0.993 484 V HN 0.797 nan 8.190 nan 0.000 0.464 485 S N 4.732 120.515 115.700 0.138 0.000 2.563 485 S HA 0.666 5.137 4.470 0.002 0.000 0.279 485 S C -0.954 173.845 174.600 0.332 0.000 1.155 485 S CA -0.843 57.506 58.200 0.247 0.000 0.928 485 S CB 1.234 64.585 63.200 0.251 0.000 1.107 485 S HN 0.830 nan 8.310 nan 0.000 0.462 486 I N -0.349 120.401 120.570 0.301 0.000 2.982 486 I HA 1.065 5.236 4.170 0.002 0.000 0.312 486 I C -0.644 175.692 176.117 0.366 0.000 1.041 486 I CA -0.947 60.421 61.300 0.113 0.000 1.053 486 I CB 1.617 39.622 38.000 0.009 0.000 1.248 486 I HN 1.010 nan 8.210 nan 0.000 0.471 487 W N 1.783 123.193 121.300 0.183 0.000 2.669 487 W HA 0.752 5.413 4.660 0.002 0.000 0.450 487 W C -0.215 176.486 176.519 0.303 0.000 0.979 487 W CA -0.144 57.309 57.345 0.180 0.000 1.254 487 W CB -0.717 28.811 29.460 0.113 0.000 1.432 487 W HN 1.175 nan 8.180 nan 0.000 0.625 488 G N 0.416 109.606 108.800 0.651 0.000 2.632 488 G HA2 0.349 4.310 3.960 0.002 0.000 0.224 488 G HA3 0.349 4.310 3.960 0.002 0.000 0.224 488 G C -0.079 175.103 174.900 0.469 0.000 1.341 488 G CA 0.977 46.373 45.100 0.492 0.000 0.880 488 G HN 1.966 nan 8.290 nan 0.000 0.566 489 T N -4.074 110.690 114.554 0.350 0.000 2.937 489 T HA 0.666 5.018 4.350 0.002 0.000 0.283 489 T C 1.574 176.323 174.700 0.081 0.000 1.012 489 T CA 0.897 63.177 62.100 0.301 0.000 0.997 489 T CB 1.459 70.484 68.868 0.262 0.000 1.136 489 T HN 1.087 nan 8.240 nan 0.000 0.551 490 T N 1.017 115.584 114.554 0.021 0.000 2.720 490 T HA -0.033 4.318 4.350 0.002 0.000 0.268 490 T C 1.825 176.372 174.700 -0.255 0.000 1.037 490 T CA 1.427 63.399 62.100 -0.213 0.000 1.144 490 T CB -0.458 68.353 68.868 -0.094 0.000 0.864 490 T HN 0.476 nan 8.240 nan 0.000 0.444 491 L N -1.120 119.980 121.223 -0.205 0.000 2.131 491 L HA 0.078 4.419 4.340 0.002 0.000 0.206 491 L C 0.419 176.899 176.870 -0.650 0.000 1.087 491 L CA 0.976 55.546 54.840 -0.449 0.000 0.767 491 L CB -0.055 41.674 42.059 -0.551 0.000 0.917 491 L HN 0.306 nan 8.230 nan 0.000 0.441 492 Y N -0.748 119.518 120.300 -0.056 0.000 2.553 492 Y HA 0.340 4.892 4.550 0.002 0.000 0.369 492 Y C -2.232 173.629 175.900 -0.065 0.000 0.964 492 Y CA -2.776 55.299 58.100 -0.042 0.000 1.156 492 Y CB -0.348 38.121 38.460 0.015 0.000 1.218 492 Y HN -0.014 nan 8.280 nan 0.000 0.630 493 P HA 0.244 nan 4.420 nan 0.000 0.271 493 P C 0.418 177.575 177.300 -0.238 0.000 1.244 493 P CA -0.016 62.968 63.100 -0.193 0.000 0.793 493 P CB 1.009 32.471 31.700 -0.396 0.000 0.984 494 G N -0.877 107.598 108.800 -0.542 0.000 2.719 494 G HA2 0.581 4.542 3.960 0.002 0.000 0.298 494 G HA3 0.581 4.542 3.960 0.002 0.000 0.298 494 G C -1.352 172.479 174.900 -1.781 0.000 1.411 494 G CA -0.395 44.003 45.100 -1.171 0.000 0.991 494 G HN 0.624 nan 8.290 nan 0.000 0.509 495 S N -0.464 114.353 115.700 -1.472 0.000 2.607 495 S HA 0.903 5.374 4.470 0.002 0.000 0.273 495 S C -0.575 173.797 174.600 -0.381 0.000 1.148 495 S CA 0.155 57.787 58.200 -0.946 0.000 0.833 495 S CB 1.913 64.897 63.200 -0.361 0.000 1.130 495 S HN 2.310 nan 8.310 nan 0.000 0.470 496 S N 0.816 116.562 115.700 0.077 0.000 2.552 496 S HA 0.699 5.171 4.470 0.002 0.000 0.272 496 S C -1.635 173.054 174.600 0.149 0.000 1.150 496 S CA -0.817 57.528 58.200 0.242 0.000 0.849 496 S CB 1.052 64.554 63.200 0.503 0.000 1.113 496 S HN 1.583 nan 8.310 nan 0.000 0.458 497 I N 2.135 122.760 120.570 0.091 0.000 2.512 497 I HA 0.673 4.844 4.170 0.002 0.000 0.287 497 I C -0.926 175.169 176.117 -0.036 0.000 1.069 497 I CA 0.124 61.411 61.300 -0.022 0.000 1.056 497 I CB 1.990 39.961 38.000 -0.048 0.000 1.229 497 I HN 0.879 nan 8.210 nan 0.000 0.429 498 T N 5.264 119.734 114.554 -0.140 0.000 2.940 498 T HA 0.615 4.966 4.350 0.002 0.000 0.288 498 T C -1.380 173.160 174.700 -0.268 0.000 1.045 498 T CA -0.378 61.690 62.100 -0.053 0.000 1.018 498 T CB 1.308 70.176 68.868 0.002 0.000 1.151 498 T HN 0.365 nan 8.240 nan 0.000 0.529 499 Y N 0.120 120.421 120.300 0.002 0.000 2.576 499 Y HA 0.630 5.181 4.550 0.002 0.000 0.346 499 Y C 0.481 176.374 175.900 -0.010 0.000 1.018 499 Y CA -0.915 57.180 58.100 -0.008 0.000 1.050 499 Y CB 2.013 40.471 38.460 -0.002 0.000 1.280 499 Y HN 0.522 nan 8.280 nan 0.000 0.474 500 N N 0.000 118.791 118.700 0.152 0.000 1.763 500 N HA 0.000 4.741 4.740 0.002 0.000 0.220 500 N CA 0.000 53.096 53.050 0.076 0.000 0.885 500 N CB 0.000 38.502 38.487 0.026 0.000 1.341 500 N HN 0.000 nan 8.380 nan 0.000 0.667