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 3bkl_1_A DATA FIRST_RESID 40 DATA SEQUENCE DEAEASKFVE EYDRTSQVVW NEYAGANWNY NTNITTETSK ILLQKNMQIA DATA SEQUENCE QHTLKYGTQA RKFDVNQLQN TTIKRIIKKV QDLERAALPA QELEEYNKIL DATA SEQUENCE LDMETTYSVA TVcHPQGScL QLEPDLTNVM ATSRKYEDLL WAWEGWRDKA DATA SEQUENCE GRAILQFYPK YVELINQAAR LNGYVDAGDS WRSMYETPSL EQDLERLFQE DATA SEQUENCE LQPLYLNLHA YVRRALHRHY GAQHINLEGP IPAHLLGNMW AQTWSNIYDL DATA SEQUENCE VVPFPSAXSM DTTEAMLKQG WTPRRMFKEA DDFFTSLGLL PVPPEFWQKS DATA SEQUENCE MLEKPTDGRE VVcHASAWDF YNGKDFRIKQ cTTVNLEDLV VAHHEMGHIQ DATA SEQUENCE YFMQYKDLPV ALREGANPGF HEAIGDVLAL SVSTPKHLHS LNLLSXXGGS DATA SEQUENCE DEHDINFLMK MALDKIAFIP FSYLVDQWRW RVFDGSITKE NYNQEWWSLR DATA SEQUENCE LKYQGLCPPV PRTQGDFDPG AKFHIPSSVP YIRYFVSFII QFQFHEALcQ DATA SEQUENCE AAGHTGPLHK cDIYQSKEAG QRLATAMKLG FSRPWPEAMQ LITGQPQMSA DATA SEQUENCE SAMLSYFKPL LDWLRTENEL HGEKLGWPQY NWTPN 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 40 D HA 0.000 nan 4.640 nan 0.000 0.175 40 D C 0.000 176.392 176.300 0.153 0.000 2.045 40 D CA 0.000 54.049 54.000 0.082 0.000 0.868 40 D CB 0.000 40.834 40.800 0.056 0.000 0.688 41 E N 1.731 121.992 120.200 0.103 0.000 2.147 41 E HA -0.159 4.191 4.350 0.001 0.000 0.199 41 E C 1.759 178.415 176.600 0.093 0.000 1.005 41 E CA 2.139 58.591 56.400 0.086 0.000 0.810 41 E CB -0.197 29.534 29.700 0.051 0.000 0.736 41 E HN 0.320 nan 8.360 nan 0.000 0.460 42 A N 0.243 123.118 122.820 0.092 0.000 1.897 42 A HA -0.154 4.167 4.320 0.001 0.000 0.215 42 A C 2.044 179.710 177.584 0.137 0.000 1.181 42 A CA 1.521 53.611 52.037 0.090 0.000 0.620 42 A CB -0.460 18.581 19.000 0.067 0.000 0.821 42 A HN 0.308 nan 8.150 nan 0.000 0.443 43 E N -0.227 120.087 120.200 0.190 0.000 2.110 43 E HA -0.095 4.255 4.350 0.001 0.000 0.193 43 E C 2.260 179.128 176.600 0.448 0.000 0.988 43 E CA 0.853 57.431 56.400 0.297 0.000 0.804 43 E CB -0.233 29.616 29.700 0.248 0.000 0.745 43 E HN 0.623 nan 8.360 nan 0.000 0.458 44 A N 0.664 123.693 122.820 0.348 0.000 1.898 44 A HA -0.172 4.148 4.320 0.001 0.000 0.216 44 A C 2.254 179.840 177.584 0.003 0.000 1.181 44 A CA 1.600 53.583 52.037 -0.090 0.000 0.620 44 A CB -0.585 18.321 19.000 -0.156 0.000 0.819 44 A HN 0.202 nan 8.150 nan 0.000 0.442 45 S N -0.717 115.016 115.700 0.056 0.000 2.382 45 S HA -0.190 4.280 4.470 0.001 0.000 0.228 45 S C 2.082 176.723 174.600 0.069 0.000 1.027 45 S CA 1.974 60.201 58.200 0.045 0.000 0.991 45 S CB -0.272 62.955 63.200 0.044 0.000 0.823 45 S HN 0.616 nan 8.310 nan 0.000 0.469 46 K N -0.597 119.875 120.400 0.120 0.000 2.062 46 K HA -0.038 4.283 4.320 0.001 0.000 0.205 46 K C 1.886 178.590 176.600 0.173 0.000 1.051 46 K CA 1.231 57.598 56.287 0.133 0.000 0.941 46 K CB -0.380 32.211 32.500 0.152 0.000 0.719 46 K HN 0.412 nan 8.250 nan 0.000 0.440 47 F N 1.134 121.141 119.950 0.094 0.000 2.095 47 F HA -0.208 4.319 4.527 0.001 0.000 0.298 47 F C 1.712 177.573 175.800 0.101 0.000 1.104 47 F CA 1.345 59.421 58.000 0.127 0.000 1.232 47 F CB -0.487 38.557 39.000 0.073 0.000 0.987 47 F HN -0.207 nan 8.300 nan 0.000 0.475 48 V N 0.748 120.616 119.914 -0.077 0.000 2.343 48 V HA -0.303 3.817 4.120 0.001 0.000 0.247 48 V C 2.255 178.287 176.094 -0.104 0.000 1.051 48 V CA 2.373 64.582 62.300 -0.150 0.000 1.036 48 V CB -0.716 31.074 31.823 -0.055 0.000 0.654 48 V HN 0.395 nan 8.190 nan 0.000 0.451 49 E N -0.319 119.848 120.200 -0.054 0.000 2.072 49 E HA -0.259 4.091 4.350 0.001 0.000 0.191 49 E C 2.263 178.811 176.600 -0.087 0.000 0.985 49 E CA 1.346 57.715 56.400 -0.051 0.000 0.801 49 E CB -0.111 29.583 29.700 -0.011 0.000 0.750 49 E HN 0.687 nan 8.360 nan 0.000 0.452 50 E N 0.198 120.357 120.200 -0.068 0.000 2.107 50 E HA -0.200 4.150 4.350 0.001 0.000 0.191 50 E C 1.922 178.376 176.600 -0.243 0.000 0.982 50 E CA 0.580 56.947 56.400 -0.056 0.000 0.809 50 E CB -0.072 29.691 29.700 0.106 0.000 0.756 50 E HN 0.285 nan 8.360 nan 0.000 0.459 51 Y N 1.596 121.580 120.300 -0.526 0.000 2.181 51 Y HA -0.230 4.321 4.550 0.001 0.000 0.288 51 Y C 1.879 177.389 175.900 -0.648 0.000 1.146 51 Y CA 2.263 59.827 58.100 -0.892 0.000 1.164 51 Y CB -0.308 37.621 38.460 -0.884 0.000 0.982 51 Y HN 0.127 nan 8.280 nan 0.000 0.515 52 D N -0.461 119.664 120.400 -0.457 0.000 2.084 52 D HA -0.189 4.451 4.640 0.001 0.000 0.196 52 D C 2.216 178.237 176.300 -0.466 0.000 0.985 52 D CA 1.962 55.691 54.000 -0.450 0.000 0.826 52 D CB -0.167 40.515 40.800 -0.196 0.000 0.978 52 D HN 0.525 nan 8.370 nan 0.000 0.456 53 R N -0.330 119.974 120.500 -0.326 0.000 2.096 53 R HA -0.076 4.265 4.340 0.001 0.000 0.235 53 R C 2.255 178.358 176.300 -0.329 0.000 1.127 53 R CA 1.831 57.776 56.100 -0.259 0.000 0.968 53 R CB -1.369 28.839 30.300 -0.153 0.000 0.861 53 R HN 0.278 nan 8.270 nan 0.000 0.440 54 T N -1.408 112.903 114.554 -0.405 0.000 2.896 54 T HA 0.055 4.405 4.350 0.001 0.000 0.263 54 T C 2.099 176.373 174.700 -0.709 0.000 1.050 54 T CA 1.114 62.969 62.100 -0.408 0.000 1.140 54 T CB -0.184 68.546 68.868 -0.231 0.000 0.877 54 T HN 0.173 nan 8.240 nan 0.000 0.457 55 S N 1.755 116.841 115.700 -1.023 0.000 2.383 55 S HA -0.117 4.354 4.470 0.001 0.000 0.227 55 S C 2.252 176.098 174.600 -1.257 0.000 1.026 55 S CA 1.081 58.365 58.200 -1.525 0.000 0.981 55 S CB -0.448 61.451 63.200 -2.169 0.000 0.818 55 S HN 0.586 nan 8.310 nan 0.000 0.472 56 Q N 0.371 119.686 119.800 -0.809 0.000 2.112 56 Q HA -0.129 4.211 4.340 0.001 0.000 0.206 56 Q C 2.274 178.131 176.000 -0.238 0.000 0.987 56 Q CA 1.614 57.171 55.803 -0.410 0.000 0.858 56 Q CB -0.388 28.202 28.738 -0.247 0.000 0.905 56 Q HN 0.389 nan 8.270 nan 0.000 0.420 57 V N -0.172 119.577 119.914 -0.274 0.000 2.270 57 V HA -0.213 3.908 4.120 0.001 0.000 0.245 57 V C 2.208 178.227 176.094 -0.125 0.000 1.043 57 V CA 1.467 63.672 62.300 -0.158 0.000 1.014 57 V CB -0.468 31.261 31.823 -0.156 0.000 0.645 57 V HN 0.184 nan 8.190 nan 0.000 0.447 58 V N -1.377 118.379 119.914 -0.263 0.000 2.407 58 V HA -0.226 3.894 4.120 0.001 0.000 0.248 58 V C 2.247 178.409 176.094 0.113 0.000 1.055 58 V CA 1.781 63.988 62.300 -0.156 0.000 1.049 58 V CB -0.755 30.794 31.823 -0.456 0.000 0.662 58 V HN 0.611 nan 8.190 nan 0.000 0.455 59 W N 0.409 121.567 121.300 -0.236 0.000 2.381 59 W HA -0.073 4.588 4.660 0.001 0.000 0.301 59 W C 2.522 179.094 176.519 0.089 0.000 1.205 59 W CA 0.981 58.233 57.345 -0.155 0.000 1.285 59 W CB -1.403 27.749 29.460 -0.513 0.000 1.133 59 W HN 0.324 nan 8.180 nan 0.000 0.521 60 N N 1.040 119.925 118.700 0.310 0.000 2.120 60 N HA -0.200 4.541 4.740 0.001 0.000 0.188 60 N C 1.463 177.120 175.510 0.245 0.000 1.024 60 N CA 1.789 55.011 53.050 0.286 0.000 0.852 60 N CB -0.238 38.361 38.487 0.187 0.000 1.003 60 N HN 0.267 nan 8.380 nan 0.000 0.424 61 E N -0.808 119.502 120.200 0.183 0.000 2.077 61 E HA -0.206 4.145 4.350 0.001 0.000 0.193 61 E C 1.790 178.502 176.600 0.188 0.000 0.989 61 E CA 1.015 57.509 56.400 0.158 0.000 0.800 61 E CB -0.220 29.546 29.700 0.110 0.000 0.746 61 E HN 0.448 nan 8.360 nan 0.000 0.452 62 Y N 0.951 121.316 120.300 0.108 0.000 2.145 62 Y HA -0.219 4.331 4.550 0.001 0.000 0.286 62 Y C 2.123 178.098 175.900 0.125 0.000 1.145 62 Y CA 1.470 59.625 58.100 0.092 0.000 1.148 62 Y CB -0.417 38.069 38.460 0.042 0.000 0.981 62 Y HN 0.008 nan 8.280 nan 0.000 0.507 63 A N 0.336 123.256 122.820 0.166 0.000 1.883 63 A HA -0.170 4.151 4.320 0.001 0.000 0.217 63 A C 2.502 180.157 177.584 0.118 0.000 1.186 63 A CA 1.954 54.007 52.037 0.026 0.000 0.624 63 A CB -1.794 17.042 19.000 -0.273 0.000 0.822 63 A HN 0.619 nan 8.150 nan 0.000 0.444 64 G N -0.602 108.353 108.800 0.259 0.000 2.446 64 G HA2 -0.046 3.915 3.960 0.001 0.000 0.217 64 G HA3 -0.046 3.915 3.960 0.001 0.000 0.217 64 G C 1.758 176.798 174.900 0.232 0.000 1.168 64 G CA 1.639 46.957 45.100 0.362 0.000 0.771 64 G HN 0.881 nan 8.290 nan 0.000 0.551 65 A N 0.803 123.672 122.820 0.082 0.000 1.930 65 A HA -0.068 4.253 4.320 0.001 0.000 0.217 65 A C 2.196 179.791 177.584 0.019 0.000 1.175 65 A CA 2.029 54.080 52.037 0.023 0.000 0.627 65 A CB -0.494 18.472 19.000 -0.057 0.000 0.815 65 A HN 0.422 nan 8.150 nan 0.000 0.443 66 N N -0.859 117.804 118.700 -0.063 0.000 2.142 66 N HA -0.171 4.570 4.740 0.001 0.000 0.186 66 N C 1.591 177.294 175.510 0.321 0.000 1.023 66 N CA 1.533 54.642 53.050 0.099 0.000 0.852 66 N CB -0.418 38.095 38.487 0.044 0.000 0.998 66 N HN 0.705 nan 8.380 nan 0.000 0.424 67 W N 1.343 122.653 121.300 0.016 0.000 2.358 67 W HA -0.128 4.533 4.660 0.001 0.000 0.303 67 W C 0.949 177.366 176.519 -0.170 0.000 1.208 67 W CA 1.146 58.274 57.345 -0.361 0.000 1.274 67 W CB -0.428 28.903 29.460 -0.215 0.000 1.138 67 W HN 0.109 nan 8.180 nan 0.000 0.515 68 N N -0.002 118.758 118.700 0.101 0.000 2.244 68 N HA -0.209 4.532 4.740 0.001 0.000 0.183 68 N C 1.441 176.923 175.510 -0.048 0.000 1.016 68 N CA 1.680 54.737 53.050 0.011 0.000 0.866 68 N CB -1.225 37.324 38.487 0.103 0.000 0.980 68 N HN 0.364 nan 8.380 nan 0.000 0.430 69 Y N 1.787 122.039 120.300 -0.079 0.000 2.153 69 Y HA 0.046 4.596 4.550 0.001 0.000 0.289 69 Y C 1.927 177.768 175.900 -0.098 0.000 1.127 69 Y CA 1.353 59.416 58.100 -0.062 0.000 1.131 69 Y CB -0.634 37.813 38.460 -0.023 0.000 0.995 69 Y HN -0.012 nan 8.280 nan 0.000 0.505 70 N N -0.346 118.152 118.700 -0.337 0.000 2.205 70 N HA -0.154 4.586 4.740 0.001 0.000 0.186 70 N C 1.357 176.552 175.510 -0.525 0.000 1.015 70 N CA 2.114 54.912 53.050 -0.420 0.000 0.862 70 N CB -0.275 38.140 38.487 -0.119 0.000 0.986 70 N HN 0.607 nan 8.380 nan 0.000 0.429 71 T N -3.034 111.142 114.554 -0.631 0.000 3.105 71 T HA 0.154 4.505 4.350 0.001 0.000 0.253 71 T C 0.239 174.730 174.700 -0.347 0.000 1.047 71 T CA -0.303 61.452 62.100 -0.575 0.000 0.944 71 T CB 0.164 68.529 68.868 -0.838 0.000 1.016 71 T HN -0.067 nan 8.240 nan 0.000 0.544 72 N N 0.945 119.461 118.700 -0.308 0.000 3.304 72 N HA 0.171 4.911 4.740 0.001 0.000 0.187 72 N C -1.407 173.997 175.510 -0.175 0.000 1.482 72 N CA -0.405 52.532 53.050 -0.189 0.000 0.785 72 N CB 0.013 38.427 38.487 -0.122 0.000 1.619 72 N HN 0.355 nan 8.380 nan 0.000 0.624 73 I N 2.347 122.784 120.570 -0.221 0.000 2.483 73 I HA 0.106 4.277 4.170 0.001 0.000 0.291 73 I C 0.796 176.901 176.117 -0.019 0.000 1.112 73 I CA 0.444 61.639 61.300 -0.174 0.000 1.350 73 I CB 0.117 38.001 38.000 -0.194 0.000 1.419 73 I HN 0.456 nan 8.210 nan 0.000 0.523 74 T N -0.153 114.434 114.554 0.055 0.000 2.812 74 T HA 0.267 4.617 4.350 0.001 0.000 0.294 74 T C 0.726 175.479 174.700 0.088 0.000 1.159 74 T CA -0.679 61.455 62.100 0.057 0.000 1.008 74 T CB 1.676 70.565 68.868 0.034 0.000 1.289 74 T HN 0.335 nan 8.240 nan 0.000 0.514 75 T N 0.231 114.823 114.554 0.062 0.000 2.777 75 T HA -0.046 4.305 4.350 0.001 0.000 0.266 75 T C 1.632 176.364 174.700 0.053 0.000 1.040 75 T CA 1.773 63.907 62.100 0.057 0.000 1.141 75 T CB -0.378 68.515 68.868 0.042 0.000 0.868 75 T HN 0.774 nan 8.240 nan 0.000 0.444 76 E N 0.621 120.850 120.200 0.048 0.000 2.031 76 E HA -0.167 4.183 4.350 0.001 0.000 0.193 76 E C 2.467 179.099 176.600 0.055 0.000 0.994 76 E CA 1.730 58.155 56.400 0.043 0.000 0.800 76 E CB -0.081 29.640 29.700 0.035 0.000 0.752 76 E HN 0.633 nan 8.360 nan 0.000 0.447 77 T N -1.641 112.959 114.554 0.076 0.000 2.833 77 T HA -0.088 4.263 4.350 0.001 0.000 0.269 77 T C 2.135 176.910 174.700 0.126 0.000 1.054 77 T CA 1.453 63.617 62.100 0.107 0.000 1.135 77 T CB -0.247 68.698 68.868 0.128 0.000 0.869 77 T HN -0.049 nan 8.240 nan 0.000 0.466 78 S N 1.254 117.033 115.700 0.131 0.000 2.345 78 S HA -0.029 4.441 4.470 0.001 0.000 0.220 78 S C 2.188 176.767 174.600 -0.035 0.000 1.031 78 S CA 0.796 59.008 58.200 0.019 0.000 0.996 78 S CB -0.204 63.023 63.200 0.045 0.000 0.882 78 S HN 0.427 nan 8.310 nan 0.000 0.445 79 K N 1.089 121.492 120.400 0.006 0.000 2.103 79 K HA 0.029 4.349 4.320 0.001 0.000 0.207 79 K C 1.935 178.538 176.600 0.005 0.000 1.048 79 K CA 1.001 57.290 56.287 0.003 0.000 0.930 79 K CB -0.615 31.895 32.500 0.017 0.000 0.716 79 K HN 0.390 nan 8.250 nan 0.000 0.444 80 I N 0.753 121.333 120.570 0.015 0.000 2.315 80 I HA -0.246 3.925 4.170 0.001 0.000 0.248 80 I C 2.237 178.358 176.117 0.006 0.000 1.117 80 I CA 0.382 61.694 61.300 0.020 0.000 1.404 80 I CB -0.134 37.885 38.000 0.032 0.000 1.071 80 I HN 0.007 nan 8.210 nan 0.000 0.419 81 L N 0.612 121.820 121.223 -0.026 0.000 2.046 81 L HA -0.176 4.165 4.340 0.001 0.000 0.208 81 L C 2.240 179.092 176.870 -0.030 0.000 1.077 81 L CA 1.876 56.673 54.840 -0.072 0.000 0.747 81 L CB -0.582 41.374 42.059 -0.173 0.000 0.896 81 L HN 0.145 nan 8.230 nan 0.000 0.432 82 L N -1.012 120.185 121.223 -0.044 0.000 2.079 82 L HA -0.254 4.086 4.340 0.001 0.000 0.210 82 L C 2.639 179.529 176.870 0.033 0.000 1.081 82 L CA 1.429 56.261 54.840 -0.013 0.000 0.752 82 L CB -0.567 41.474 42.059 -0.030 0.000 0.896 82 L HN 0.419 nan 8.230 nan 0.000 0.433 83 Q N -0.351 119.469 119.800 0.034 0.000 2.079 83 Q HA -0.168 4.173 4.340 0.001 0.000 0.200 83 Q C 2.202 178.250 176.000 0.080 0.000 0.974 83 Q CA 1.069 56.902 55.803 0.051 0.000 0.840 83 Q CB 0.015 28.779 28.738 0.042 0.000 0.898 83 Q HN 0.297 nan 8.270 nan 0.000 0.430 84 K N 0.640 121.098 120.400 0.096 0.000 2.211 84 K HA -0.064 4.257 4.320 0.001 0.000 0.203 84 K C 1.557 178.309 176.600 0.254 0.000 1.050 84 K CA 0.562 56.946 56.287 0.163 0.000 0.945 84 K CB -0.153 32.433 32.500 0.143 0.000 0.732 84 K HN 0.196 nan 8.250 nan 0.000 0.451 85 N N 0.767 119.606 118.700 0.233 0.000 2.120 85 N HA -0.094 4.646 4.740 0.001 0.000 0.188 85 N C 1.637 177.212 175.510 0.107 0.000 1.024 85 N CA 1.098 54.267 53.050 0.198 0.000 0.852 85 N CB -0.052 38.517 38.487 0.136 0.000 1.003 85 N HN 0.137 nan 8.380 nan 0.000 0.424 86 M N 0.644 120.302 119.600 0.097 0.000 2.254 86 M HA -0.061 4.420 4.480 0.001 0.000 0.265 86 M C 2.092 178.447 176.300 0.092 0.000 1.066 86 M CA 0.966 56.315 55.300 0.081 0.000 1.123 86 M CB -1.183 31.457 32.600 0.067 0.000 1.388 86 M HN 0.260 nan 8.290 nan 0.000 0.425 87 Q N 0.781 120.645 119.800 0.106 0.000 2.002 87 Q HA -0.191 4.149 4.340 0.001 0.000 0.204 87 Q C 2.147 178.226 176.000 0.131 0.000 0.988 87 Q CA 1.748 57.618 55.803 0.113 0.000 0.843 87 Q CB -0.226 28.580 28.738 0.113 0.000 0.908 87 Q HN 0.512 nan 8.270 nan 0.000 0.420 88 I N 0.288 120.931 120.570 0.121 0.000 2.361 88 I HA -0.216 3.954 4.170 0.001 0.000 0.251 88 I C 2.052 178.251 176.117 0.136 0.000 1.133 88 I CA 1.258 62.624 61.300 0.110 0.000 1.413 88 I CB -0.152 37.820 38.000 -0.047 0.000 1.073 88 I HN 0.338 nan 8.210 nan 0.000 0.424 89 A N -0.068 122.805 122.820 0.089 0.000 1.898 89 A HA -0.246 4.075 4.320 0.001 0.000 0.216 89 A C 2.219 179.877 177.584 0.123 0.000 1.181 89 A CA 1.648 53.737 52.037 0.088 0.000 0.620 89 A CB -0.638 18.401 19.000 0.064 0.000 0.819 89 A HN 0.583 nan 8.150 nan 0.000 0.442 90 Q N -1.462 118.417 119.800 0.130 0.000 2.061 90 Q HA -0.278 4.063 4.340 0.001 0.000 0.204 90 Q C 2.082 178.195 176.000 0.187 0.000 0.984 90 Q CA 2.037 57.919 55.803 0.131 0.000 0.846 90 Q CB -0.374 28.438 28.738 0.124 0.000 0.902 90 Q HN 0.960 nan 8.270 nan 0.000 0.421 91 H N -0.096 119.059 119.070 0.142 0.000 2.353 91 H HA -0.073 4.483 4.556 0.001 0.000 0.300 91 H C 1.851 177.357 175.328 0.298 0.000 1.090 91 H CA 2.025 58.206 56.048 0.221 0.000 1.327 91 H CB 0.009 29.867 29.762 0.161 0.000 1.383 91 H HN 0.079 nan 8.280 nan 0.000 0.508 92 T N 0.896 115.607 114.554 0.261 0.000 2.777 92 T HA -0.119 4.231 4.350 0.001 0.000 0.266 92 T C 1.970 176.757 174.700 0.146 0.000 1.040 92 T CA 1.148 63.373 62.100 0.208 0.000 1.141 92 T CB -0.369 68.611 68.868 0.187 0.000 0.868 92 T HN 0.206 nan 8.240 nan 0.000 0.444 93 L N 1.593 122.884 121.223 0.113 0.000 2.046 93 L HA 0.024 4.365 4.340 0.001 0.000 0.208 93 L C 2.340 179.243 176.870 0.056 0.000 1.077 93 L CA 1.862 56.746 54.840 0.074 0.000 0.747 93 L CB -0.595 41.498 42.059 0.056 0.000 0.896 93 L HN 0.108 nan 8.230 nan 0.000 0.432 94 K N -1.523 118.902 120.400 0.042 0.000 1.991 94 K HA -0.250 4.070 4.320 0.001 0.000 0.212 94 K C 2.184 178.728 176.600 -0.093 0.000 1.049 94 K CA 2.221 58.476 56.287 -0.053 0.000 0.932 94 K CB -0.522 31.916 32.500 -0.104 0.000 0.717 94 K HN 0.354 nan 8.250 nan 0.000 0.441 95 Y N 0.218 120.536 120.300 0.029 0.000 2.314 95 Y HA -0.009 4.542 4.550 0.001 0.000 0.293 95 Y C 2.441 178.507 175.900 0.276 0.000 1.129 95 Y CA 1.288 59.513 58.100 0.209 0.000 1.201 95 Y CB -0.495 38.041 38.460 0.125 0.000 0.999 95 Y HN 0.301 nan 8.280 nan 0.000 0.541 96 G N -0.958 107.997 108.800 0.257 0.000 2.402 96 G HA2 -0.220 3.740 3.960 0.001 0.000 0.216 96 G HA3 -0.220 3.740 3.960 0.001 0.000 0.216 96 G C 1.742 176.696 174.900 0.091 0.000 1.162 96 G CA 1.520 46.718 45.100 0.164 0.000 0.777 96 G HN 0.296 nan 8.290 nan 0.000 0.539 97 T N 1.153 115.741 114.554 0.056 0.000 2.684 97 T HA -0.172 4.179 4.350 0.001 0.000 0.267 97 T C 2.482 177.166 174.700 -0.026 0.000 1.036 97 T CA 1.754 63.857 62.100 0.004 0.000 1.148 97 T CB -0.270 68.591 68.868 -0.012 0.000 0.863 97 T HN 0.415 nan 8.240 nan 0.000 0.436 98 Q N 0.711 120.500 119.800 -0.019 0.000 2.084 98 Q HA 0.005 4.345 4.340 0.001 0.000 0.202 98 Q C 2.764 178.624 176.000 -0.232 0.000 0.978 98 Q CA 1.345 57.079 55.803 -0.115 0.000 0.844 98 Q CB -0.374 28.349 28.738 -0.023 0.000 0.898 98 Q HN 0.558 nan 8.270 nan 0.000 0.426 99 A N 1.379 124.078 122.820 -0.201 0.000 1.940 99 A HA -0.208 4.113 4.320 0.001 0.000 0.219 99 A C 1.976 179.543 177.584 -0.029 0.000 1.176 99 A CA 1.420 53.335 52.037 -0.203 0.000 0.631 99 A CB -0.413 18.617 19.000 0.051 0.000 0.814 99 A HN 0.192 nan 8.150 nan 0.000 0.446 100 R N -0.511 119.974 120.500 -0.025 0.000 2.285 100 R HA -0.018 4.323 4.340 0.001 0.000 0.213 100 R C 1.720 177.994 176.300 -0.043 0.000 1.068 100 R CA 1.105 57.191 56.100 -0.024 0.000 1.004 100 R CB -0.060 30.223 30.300 -0.028 0.000 0.873 100 R HN 0.532 nan 8.270 nan 0.000 0.467 101 K N -0.787 119.565 120.400 -0.080 0.000 2.262 101 K HA 0.031 4.351 4.320 0.001 0.000 0.200 101 K C 0.106 176.592 176.600 -0.190 0.000 1.049 101 K CA 0.328 56.520 56.287 -0.159 0.000 0.979 101 K CB 0.193 32.545 32.500 -0.247 0.000 0.773 101 K HN -0.030 nan 8.250 nan 0.000 0.474 102 F N 1.693 121.529 119.950 -0.191 0.000 2.440 102 F HA 0.016 4.543 4.527 0.001 0.000 0.323 102 F C 0.816 176.552 175.800 -0.108 0.000 1.192 102 F CA -0.163 57.743 58.000 -0.158 0.000 1.252 102 F CB 0.454 39.339 39.000 -0.193 0.000 1.214 102 F HN -0.123 nan 8.300 nan 0.000 0.578 103 D N 1.352 121.843 120.400 0.151 0.000 2.464 103 D HA 0.222 4.862 4.640 0.001 0.000 0.243 103 D C 0.873 177.216 176.300 0.072 0.000 1.104 103 D CA -0.237 53.805 54.000 0.070 0.000 0.883 103 D CB 1.131 41.945 40.800 0.023 0.000 1.050 103 D HN 0.329 nan 8.370 nan 0.000 0.524 104 V N 3.253 123.194 119.914 0.045 0.000 2.217 104 V HA -0.295 3.825 4.120 0.001 0.000 0.248 104 V C 1.710 177.809 176.094 0.009 0.000 1.050 104 V CA 1.430 63.737 62.300 0.013 0.000 1.007 104 V CB -0.830 30.991 31.823 -0.003 0.000 0.639 104 V HN 0.430 nan 8.190 nan 0.000 0.452 105 N N 0.374 119.076 118.700 0.003 0.000 2.405 105 N HA -0.208 4.532 4.740 0.001 0.000 0.189 105 N C 1.755 177.266 175.510 0.003 0.000 1.021 105 N CA 1.881 54.930 53.050 -0.001 0.000 0.891 105 N CB -0.450 38.034 38.487 -0.005 0.000 0.955 105 N HN 0.761 nan 8.380 nan 0.000 0.443 106 Q N -0.137 119.669 119.800 0.011 0.000 2.201 106 Q HA 0.306 4.647 4.340 0.001 0.000 0.217 106 Q C -0.525 175.488 176.000 0.021 0.000 0.860 106 Q CA -0.080 55.730 55.803 0.012 0.000 0.984 106 Q CB 0.493 29.237 28.738 0.011 0.000 1.095 106 Q HN 0.208 nan 8.270 nan 0.000 0.477 107 L N 0.755 121.990 121.223 0.020 0.000 2.322 107 L HA 0.251 4.591 4.340 0.001 0.000 0.281 107 L C 0.818 177.694 176.870 0.009 0.000 1.014 107 L CA -0.588 54.265 54.840 0.022 0.000 0.815 107 L CB 1.709 43.780 42.059 0.020 0.000 1.247 107 L HN 0.172 nan 8.230 nan 0.000 0.421 108 Q N 1.229 121.035 119.800 0.010 0.000 1.969 108 Q HA -0.044 4.296 4.340 0.001 0.000 0.198 108 Q C 0.725 176.724 176.000 -0.001 0.000 0.978 108 Q CA 0.891 56.696 55.803 0.004 0.000 0.830 108 Q CB -0.246 28.497 28.738 0.007 0.000 0.896 108 Q HN 0.576 nan 8.270 nan 0.000 0.431 109 N N 1.378 120.077 118.700 -0.001 0.000 2.359 109 N HA -0.074 4.667 4.740 0.001 0.000 0.261 109 N C 0.452 175.954 175.510 -0.013 0.000 1.267 109 N CA 0.513 53.560 53.050 -0.006 0.000 0.864 109 N CB 0.975 39.459 38.487 -0.004 0.000 1.063 109 N HN 0.070 nan 8.380 nan 0.000 0.474 110 T N 2.687 117.231 114.554 -0.015 0.000 2.812 110 T HA -0.081 4.270 4.350 0.001 0.000 0.264 110 T C 1.618 176.302 174.700 -0.026 0.000 1.042 110 T CA 1.487 63.573 62.100 -0.023 0.000 1.140 110 T CB -0.108 68.745 68.868 -0.025 0.000 0.870 110 T HN 0.590 nan 8.240 nan 0.000 0.445 111 T N 2.407 116.949 114.554 -0.021 0.000 2.684 111 T HA 0.003 4.353 4.350 0.001 0.000 0.267 111 T C 1.953 176.642 174.700 -0.019 0.000 1.036 111 T CA 0.989 63.079 62.100 -0.018 0.000 1.148 111 T CB -0.379 68.484 68.868 -0.008 0.000 0.863 111 T HN 0.306 nan 8.240 nan 0.000 0.436 112 I N 0.820 121.376 120.570 -0.024 0.000 2.226 112 I HA -0.164 4.007 4.170 0.001 0.000 0.245 112 I C 2.639 178.724 176.117 -0.054 0.000 1.100 112 I CA 1.271 62.548 61.300 -0.039 0.000 1.374 112 I CB -0.431 37.546 38.000 -0.038 0.000 1.057 112 I HN 0.245 nan 8.210 nan 0.000 0.413 113 K N 1.304 121.679 120.400 -0.042 0.000 2.057 113 K HA -0.228 4.092 4.320 0.001 0.000 0.207 113 K C 2.365 178.947 176.600 -0.029 0.000 1.049 113 K CA 1.429 57.693 56.287 -0.039 0.000 0.931 113 K CB -0.044 32.440 32.500 -0.026 0.000 0.714 113 K HN 0.120 nan 8.250 nan 0.000 0.440 114 R N 0.546 121.033 120.500 -0.022 0.000 2.066 114 R HA -0.041 4.299 4.340 0.001 0.000 0.232 114 R C 2.323 178.635 176.300 0.021 0.000 1.131 114 R CA 1.488 57.587 56.100 -0.002 0.000 0.955 114 R CB -0.213 30.073 30.300 -0.023 0.000 0.851 114 R HN 0.218 nan 8.270 nan 0.000 0.432 115 I N 0.551 121.121 120.570 -0.001 0.000 2.163 115 I HA -0.328 3.843 4.170 0.001 0.000 0.243 115 I C 2.203 178.281 176.117 -0.066 0.000 1.085 115 I CA 1.452 62.739 61.300 -0.022 0.000 1.347 115 I CB -0.228 37.745 38.000 -0.045 0.000 1.044 115 I HN 0.241 nan 8.210 nan 0.000 0.408 116 I N 0.396 120.926 120.570 -0.065 0.000 2.226 116 I HA -0.290 3.880 4.170 0.001 0.000 0.245 116 I C 2.551 178.647 176.117 -0.035 0.000 1.100 116 I CA 1.363 62.624 61.300 -0.065 0.000 1.374 116 I CB -0.398 37.510 38.000 -0.153 0.000 1.057 116 I HN 0.169 nan 8.210 nan 0.000 0.413 117 K N 0.921 121.312 120.400 -0.016 0.000 2.063 117 K HA -0.267 4.053 4.320 0.001 0.000 0.208 117 K C 2.184 178.804 176.600 0.033 0.000 1.048 117 K CA 1.704 57.998 56.287 0.011 0.000 0.928 117 K CB -0.076 32.440 32.500 0.027 0.000 0.713 117 K HN 0.105 nan 8.250 nan 0.000 0.442 118 K N 0.508 120.934 120.400 0.044 0.000 2.002 118 K HA -0.120 4.201 4.320 0.001 0.000 0.209 118 K C 1.790 178.401 176.600 0.018 0.000 1.048 118 K CA 1.276 57.598 56.287 0.058 0.000 0.930 118 K CB -0.046 32.503 32.500 0.082 0.000 0.714 118 K HN -0.089 nan 8.250 nan 0.000 0.438 119 V N 1.602 121.480 119.914 -0.060 0.000 2.568 119 V HA -0.274 3.846 4.120 0.001 0.000 0.253 119 V C 2.094 178.201 176.094 0.022 0.000 1.072 119 V CA 1.809 64.052 62.300 -0.095 0.000 1.084 119 V CB -0.597 31.061 31.823 -0.273 0.000 0.676 119 V HN 0.429 nan 8.190 nan 0.000 0.469 120 Q N -0.567 119.246 119.800 0.023 0.000 2.364 120 Q HA -0.116 4.225 4.340 0.001 0.000 0.207 120 Q C 0.853 176.876 176.000 0.038 0.000 0.970 120 Q CA 0.659 56.479 55.803 0.029 0.000 0.888 120 Q CB -0.035 28.707 28.738 0.008 0.000 0.951 120 Q HN 0.547 nan 8.270 nan 0.000 0.469 121 D N 0.129 120.564 120.400 0.058 0.000 2.347 121 D HA 0.069 4.709 4.640 0.001 0.000 0.235 121 D C 0.268 176.611 176.300 0.072 0.000 1.149 121 D CA -0.080 53.968 54.000 0.082 0.000 0.850 121 D CB 0.880 41.757 40.800 0.128 0.000 1.061 121 D HN 0.094 nan 8.370 nan 0.000 0.487 122 L N 3.270 124.528 121.223 0.059 0.000 2.591 122 L HA 0.095 4.435 4.340 0.001 0.000 0.228 122 L C 1.411 178.301 176.870 0.033 0.000 1.133 122 L CA -0.235 54.637 54.840 0.054 0.000 0.880 122 L CB -0.537 41.547 42.059 0.041 0.000 1.033 122 L HN 0.476 nan 8.230 nan 0.000 0.450 123 E N 0.683 120.901 120.200 0.030 0.000 3.464 123 E HA -0.421 3.929 4.350 0.001 0.000 0.362 123 E C 1.466 178.052 176.600 -0.023 0.000 1.544 123 E CA 1.923 58.326 56.400 0.005 0.000 1.816 123 E CB -0.707 28.989 29.700 -0.006 0.000 1.767 123 E HN 0.541 nan 8.360 nan 0.000 0.458 124 R N 1.480 121.971 120.500 -0.016 0.000 2.152 124 R HA 0.043 4.384 4.340 0.001 0.000 0.232 124 R C 2.130 178.422 176.300 -0.012 0.000 1.117 124 R CA 1.680 57.760 56.100 -0.034 0.000 0.981 124 R CB -0.314 30.053 30.300 0.112 0.000 0.870 124 R HN 0.399 nan 8.270 nan 0.000 0.451 125 A N 1.022 123.849 122.820 0.012 0.000 2.234 125 A HA 0.049 4.369 4.320 0.001 0.000 0.216 125 A C 2.248 179.839 177.584 0.011 0.000 1.167 125 A CA 1.244 53.296 52.037 0.025 0.000 0.698 125 A CB -0.457 18.572 19.000 0.047 0.000 0.779 125 A HN 0.590 nan 8.150 nan 0.000 0.475 126 A N -0.639 122.174 122.820 -0.012 0.000 2.119 126 A HA 0.356 4.676 4.320 0.001 0.000 0.216 126 A C 0.961 178.522 177.584 -0.038 0.000 1.152 126 A CA 0.006 52.030 52.037 -0.022 0.000 0.708 126 A CB -0.275 18.707 19.000 -0.030 0.000 0.805 126 A HN 0.449 nan 8.150 nan 0.000 0.460 127 L N 0.706 121.898 121.223 -0.053 0.000 2.439 127 L HA 0.226 4.566 4.340 0.001 0.000 0.269 127 L C -2.215 174.641 176.870 -0.023 0.000 1.179 127 L CA -1.871 52.934 54.840 -0.058 0.000 0.828 127 L CB 0.185 42.194 42.059 -0.084 0.000 1.106 127 L HN 0.034 nan 8.230 nan 0.000 0.467 128 P HA 0.015 nan 4.420 nan 0.000 0.269 128 P C 0.222 177.526 177.300 0.007 0.000 1.209 128 P CA -0.043 63.053 63.100 -0.007 0.000 0.776 128 P CB 0.885 32.578 31.700 -0.011 0.000 0.876 129 A N 2.850 125.679 122.820 0.014 0.000 1.923 129 A HA -0.356 3.964 4.320 0.001 0.000 0.222 129 A C 2.198 179.799 177.584 0.029 0.000 1.258 129 A CA 2.444 54.495 52.037 0.024 0.000 0.670 129 A CB -1.628 17.386 19.000 0.022 0.000 0.834 129 A HN 0.685 nan 8.150 nan 0.000 0.470 130 Q N -1.292 118.522 119.800 0.022 0.000 2.030 130 Q HA -0.256 4.085 4.340 0.001 0.000 0.204 130 Q C 2.086 178.107 176.000 0.036 0.000 0.986 130 Q CA 2.064 57.883 55.803 0.027 0.000 0.843 130 Q CB -0.141 28.609 28.738 0.019 0.000 0.904 130 Q HN 0.729 nan 8.270 nan 0.000 0.420 131 E N 0.186 120.402 120.200 0.026 0.000 2.077 131 E HA -0.192 4.159 4.350 0.001 0.000 0.193 131 E C 1.749 178.390 176.600 0.070 0.000 0.989 131 E CA 0.962 57.381 56.400 0.031 0.000 0.800 131 E CB -0.224 29.470 29.700 -0.010 0.000 0.746 131 E HN 0.277 nan 8.360 nan 0.000 0.452 132 L N 1.220 122.478 121.223 0.060 0.000 2.012 132 L HA -0.201 4.139 4.340 0.001 0.000 0.210 132 L C 1.882 178.829 176.870 0.128 0.000 1.073 132 L CA 1.942 56.844 54.840 0.103 0.000 0.748 132 L CB -0.428 41.672 42.059 0.069 0.000 0.891 132 L HN 0.108 nan 8.230 nan 0.000 0.431 133 E N -0.576 119.673 120.200 0.083 0.000 2.038 133 E HA -0.314 4.036 4.350 0.001 0.000 0.195 133 E C 2.119 178.760 176.600 0.068 0.000 1.000 133 E CA 1.640 58.079 56.400 0.064 0.000 0.803 133 E CB -0.166 29.563 29.700 0.048 0.000 0.750 133 E HN 0.666 nan 8.360 nan 0.000 0.448 134 E N -0.241 120.009 120.200 0.083 0.000 2.058 134 E HA -0.254 4.097 4.350 0.001 0.000 0.194 134 E C 2.029 178.703 176.600 0.122 0.000 0.997 134 E CA 1.153 57.608 56.400 0.091 0.000 0.801 134 E CB -0.200 29.556 29.700 0.093 0.000 0.746 134 E HN 0.263 nan 8.360 nan 0.000 0.450 135 Y N 1.921 122.233 120.300 0.020 0.000 2.114 135 Y HA -0.236 4.314 4.550 0.001 0.000 0.284 135 Y C 1.987 177.901 175.900 0.024 0.000 1.143 135 Y CA 2.123 60.239 58.100 0.028 0.000 1.135 135 Y CB -0.551 37.914 38.460 0.009 0.000 0.980 135 Y HN 0.099 nan 8.280 nan 0.000 0.499 136 N N 0.567 119.247 118.700 -0.033 0.000 2.137 136 N HA -0.202 4.539 4.740 0.001 0.000 0.190 136 N C 1.814 177.229 175.510 -0.158 0.000 1.017 136 N CA 1.725 54.696 53.050 -0.132 0.000 0.859 136 N CB -0.427 38.052 38.487 -0.014 0.000 1.002 136 N HN 0.300 nan 8.380 nan 0.000 0.428 137 K N 1.093 121.437 120.400 -0.093 0.000 2.103 137 K HA 0.109 4.429 4.320 0.001 0.000 0.204 137 K C 1.808 178.310 176.600 -0.164 0.000 1.052 137 K CA 0.623 56.849 56.287 -0.101 0.000 0.945 137 K CB -0.215 32.265 32.500 -0.033 0.000 0.722 137 K HN 0.050 nan 8.250 nan 0.000 0.443 138 I N 0.895 121.379 120.570 -0.144 0.000 2.226 138 I HA -0.257 3.913 4.170 0.001 0.000 0.245 138 I C 2.134 178.057 176.117 -0.323 0.000 1.100 138 I CA 1.244 62.428 61.300 -0.193 0.000 1.374 138 I CB -0.648 37.354 38.000 0.003 0.000 1.057 138 I HN 0.190 nan 8.210 nan 0.000 0.413 139 L N -0.044 120.980 121.223 -0.332 0.000 2.046 139 L HA -0.232 4.108 4.340 0.001 0.000 0.208 139 L C 2.635 179.333 176.870 -0.287 0.000 1.077 139 L CA 0.971 55.612 54.840 -0.331 0.000 0.747 139 L CB -0.560 41.271 42.059 -0.381 0.000 0.896 139 L HN 0.220 nan 8.230 nan 0.000 0.432 140 L N -0.114 120.942 121.223 -0.279 0.000 2.046 140 L HA -0.219 4.121 4.340 0.001 0.000 0.208 140 L C 2.054 178.791 176.870 -0.221 0.000 1.077 140 L CA 1.814 56.495 54.840 -0.265 0.000 0.747 140 L CB -0.527 41.356 42.059 -0.293 0.000 0.896 140 L HN 0.187 nan 8.230 nan 0.000 0.432 141 D N -0.925 119.278 120.400 -0.329 0.000 2.117 141 D HA -0.200 4.441 4.640 0.001 0.000 0.197 141 D C 2.269 178.267 176.300 -0.503 0.000 0.987 141 D CA 1.560 55.294 54.000 -0.443 0.000 0.829 141 D CB -0.113 40.235 40.800 -0.753 0.000 0.961 141 D HN 0.371 nan 8.370 nan 0.000 0.460 142 M N 0.073 119.334 119.600 -0.565 0.000 2.099 142 M HA -0.150 4.331 4.480 0.001 0.000 0.262 142 M C 2.168 178.409 176.300 -0.099 0.000 1.067 142 M CA 1.127 56.243 55.300 -0.307 0.000 1.124 142 M CB -0.205 32.241 32.600 -0.255 0.000 1.353 142 M HN -0.116 nan 8.290 nan 0.000 0.410 143 E N 0.369 120.512 120.200 -0.095 0.000 2.077 143 E HA -0.138 4.213 4.350 0.001 0.000 0.193 143 E C 1.734 178.445 176.600 0.185 0.000 0.989 143 E CA 1.996 58.422 56.400 0.044 0.000 0.800 143 E CB -0.252 29.502 29.700 0.090 0.000 0.746 143 E HN 0.312 nan 8.360 nan 0.000 0.452 144 T N -0.481 114.172 114.554 0.165 0.000 2.857 144 T HA -0.087 4.263 4.350 0.001 0.000 0.266 144 T C 1.758 176.543 174.700 0.142 0.000 1.048 144 T CA 1.622 63.833 62.100 0.184 0.000 1.139 144 T CB -0.506 68.469 68.868 0.179 0.000 0.874 144 T HN 0.242 nan 8.240 nan 0.000 0.455 145 T N 0.861 115.482 114.554 0.112 0.000 2.720 145 T HA -0.124 4.227 4.350 0.001 0.000 0.268 145 T C 1.585 176.368 174.700 0.139 0.000 1.037 145 T CA 1.271 63.447 62.100 0.127 0.000 1.144 145 T CB -0.431 68.542 68.868 0.175 0.000 0.864 145 T HN 0.511 nan 8.240 nan 0.000 0.444 146 Y N 1.376 121.710 120.300 0.057 0.000 2.220 146 Y HA -0.046 4.505 4.550 0.001 0.000 0.291 146 Y C 2.567 178.600 175.900 0.223 0.000 1.129 146 Y CA 1.159 59.320 58.100 0.102 0.000 1.161 146 Y CB -0.149 38.372 38.460 0.102 0.000 0.997 146 Y HN 0.069 nan 8.280 nan 0.000 0.522 147 S N -0.662 115.243 115.700 0.340 0.000 2.522 147 S HA -0.055 4.415 4.470 0.001 0.000 0.227 147 S C 1.530 176.206 174.600 0.127 0.000 0.986 147 S CA 1.010 59.363 58.200 0.254 0.000 0.929 147 S CB -0.194 63.156 63.200 0.251 0.000 0.769 147 S HN 0.503 nan 8.310 nan 0.000 0.529 148 V N -1.838 118.138 119.914 0.104 0.000 3.477 148 V HA 0.618 4.738 4.120 0.001 0.000 0.297 148 V C 0.561 176.696 176.094 0.070 0.000 1.433 148 V CA -0.262 62.082 62.300 0.074 0.000 1.052 148 V CB -0.615 31.244 31.823 0.061 0.000 0.895 148 V HN 0.252 nan 8.190 nan 0.000 0.438 149 A N 1.928 124.786 122.820 0.064 0.000 2.483 149 A HA 0.584 4.904 4.320 0.001 0.000 0.238 149 A C 0.661 178.328 177.584 0.139 0.000 1.070 149 A CA 0.956 53.013 52.037 0.034 0.000 0.770 149 A CB -0.172 18.743 19.000 -0.142 0.000 1.008 149 A HN 1.135 nan 8.150 nan 0.000 0.497 150 T N -1.603 113.006 114.554 0.092 0.000 2.900 150 T HA 0.605 4.956 4.350 0.001 0.000 0.303 150 T C -0.959 173.783 174.700 0.069 0.000 1.142 150 T CA -0.695 61.472 62.100 0.113 0.000 1.007 150 T CB 1.313 70.229 68.868 0.081 0.000 1.156 150 T HN 0.773 nan 8.240 nan 0.000 0.490 151 V N 1.484 121.440 119.914 0.070 0.000 2.378 151 V HA 0.502 4.623 4.120 0.001 0.000 0.288 151 V C -0.072 176.064 176.094 0.071 0.000 1.016 151 V CA -0.767 61.514 62.300 -0.032 0.000 0.840 151 V CB 0.698 32.401 31.823 -0.200 0.000 0.994 151 V HN 1.225 nan 8.190 nan 0.000 0.431 152 c N 3.507 122.151 118.600 0.074 0.000 2.435 152 c HA 0.618 5.188 4.570 0.001 0.000 0.333 152 c C 0.203 174.409 174.090 0.193 0.000 1.202 152 c CA -1.000 55.416 56.329 0.146 0.000 1.830 152 c CB 0.665 43.245 42.510 0.115 0.000 2.326 152 c HN 0.874 nan 8.230 nan 0.000 0.507 153 H N 1.119 120.361 119.070 0.286 0.000 2.548 153 H HA 0.308 4.865 4.556 0.001 0.000 0.331 153 H C -2.232 173.171 175.328 0.125 0.000 1.093 153 H CA -0.811 55.358 56.048 0.202 0.000 1.367 153 H CB 0.198 29.970 29.762 0.017 0.000 1.455 153 H HN 0.437 nan 8.280 nan 0.000 0.519 154 P HA -0.127 nan 4.420 nan 0.000 0.258 154 P C -0.191 177.175 177.300 0.110 0.000 1.172 154 P CA 0.209 63.392 63.100 0.138 0.000 0.762 154 P CB 0.282 32.051 31.700 0.115 0.000 0.764 155 Q N 0.832 120.684 119.800 0.086 0.000 2.385 155 Q HA -0.242 4.098 4.340 0.001 0.000 0.311 155 Q C 0.040 176.076 176.000 0.060 0.000 1.259 155 Q CA 1.487 57.328 55.803 0.063 0.000 0.921 155 Q CB -2.519 26.245 28.738 0.044 0.000 1.209 155 Q HN 0.594 nan 8.270 nan 0.000 0.473 156 G N 0.158 109.012 108.800 0.090 0.000 3.259 156 G HA2 0.583 4.543 3.960 0.001 0.000 0.178 156 G HA3 0.583 4.543 3.960 0.001 0.000 0.178 156 G C -0.749 174.216 174.900 0.108 0.000 1.129 156 G CA -0.076 45.069 45.100 0.075 0.000 0.816 156 G HN 0.632 nan 8.290 nan 0.000 0.634 157 S N -1.724 114.060 115.700 0.139 0.000 2.610 157 S HA 0.528 4.998 4.470 0.001 0.000 0.273 157 S C -0.437 174.302 174.600 0.232 0.000 1.274 157 S CA -0.552 57.744 58.200 0.161 0.000 1.023 157 S CB 1.162 64.435 63.200 0.121 0.000 0.962 157 S HN 0.665 nan 8.310 nan 0.000 0.523 158 c N 2.885 121.582 118.600 0.162 0.000 2.351 158 c HA 0.694 5.265 4.570 0.001 0.000 0.326 158 c C -0.477 173.700 174.090 0.145 0.000 1.272 158 c CA -0.735 55.684 56.329 0.151 0.000 1.650 158 c CB -0.109 42.463 42.510 0.103 0.000 2.257 158 c HN 0.786 nan 8.230 nan 0.000 0.505 159 L N 3.370 124.694 121.223 0.168 0.000 2.334 159 L HA 0.531 4.872 4.340 0.001 0.000 0.276 159 L C 0.187 177.111 176.870 0.090 0.000 1.014 159 L CA 0.118 55.041 54.840 0.139 0.000 0.815 159 L CB 1.029 43.211 42.059 0.205 0.000 1.268 159 L HN 0.667 nan 8.230 nan 0.000 0.428 160 Q N 0.691 120.517 119.800 0.044 0.000 2.204 160 Q HA 0.322 4.662 4.340 0.001 0.000 0.254 160 Q C 0.704 176.638 176.000 -0.109 0.000 0.981 160 Q CA -0.902 54.905 55.803 0.007 0.000 0.897 160 Q CB 1.792 30.537 28.738 0.011 0.000 1.273 160 Q HN 0.480 nan 8.270 nan 0.000 0.464 161 L N 0.711 121.776 121.223 -0.264 0.000 2.012 161 L HA -0.126 4.215 4.340 0.001 0.000 0.210 161 L C -0.082 176.626 176.870 -0.271 0.000 1.073 161 L CA 2.040 56.556 54.840 -0.540 0.000 0.748 161 L CB 0.139 41.673 42.059 -0.876 0.000 0.891 161 L HN 0.577 nan 8.230 nan 0.000 0.431 162 E N -0.189 119.927 120.200 -0.140 0.000 2.176 162 E HA 0.264 4.614 4.350 0.001 0.000 0.267 162 E C -1.927 174.655 176.600 -0.031 0.000 0.893 162 E CA -1.534 54.827 56.400 -0.065 0.000 0.761 162 E CB 1.564 31.248 29.700 -0.027 0.000 1.133 162 E HN 0.136 nan 8.360 nan 0.000 0.409 163 P HA 0.049 nan 4.420 nan 0.000 0.257 163 P C 0.072 177.356 177.300 -0.026 0.000 1.241 163 P CA 0.212 63.301 63.100 -0.019 0.000 0.816 163 P CB 0.642 32.344 31.700 0.004 0.000 1.150 164 D N 1.028 121.415 120.400 -0.022 0.000 2.077 164 D HA -0.109 4.531 4.640 0.001 0.000 0.193 164 D C 2.160 178.452 176.300 -0.013 0.000 0.989 164 D CA 1.102 55.103 54.000 0.001 0.000 0.831 164 D CB -0.734 40.087 40.800 0.035 0.000 0.979 164 D HN 0.185 nan 8.370 nan 0.000 0.449 165 L N 1.061 122.244 121.223 -0.067 0.000 2.083 165 L HA -0.155 4.186 4.340 0.001 0.000 0.209 165 L C 2.824 179.604 176.870 -0.149 0.000 1.083 165 L CA 1.644 56.419 54.840 -0.107 0.000 0.752 165 L CB -0.855 41.044 42.059 -0.267 0.000 0.899 165 L HN 0.189 nan 8.230 nan 0.000 0.433 166 T N -3.467 110.981 114.554 -0.177 0.000 2.867 166 T HA -0.192 4.158 4.350 0.001 0.000 0.268 166 T C 1.595 176.253 174.700 -0.070 0.000 1.057 166 T CA 1.524 63.535 62.100 -0.148 0.000 1.136 166 T CB -0.524 68.281 68.868 -0.105 0.000 0.874 166 T HN 0.253 nan 8.240 nan 0.000 0.466 167 N N 1.013 119.689 118.700 -0.040 0.000 2.188 167 N HA -0.068 4.673 4.740 0.001 0.000 0.184 167 N C 1.733 177.242 175.510 -0.000 0.000 1.018 167 N CA 1.154 54.197 53.050 -0.011 0.000 0.858 167 N CB -0.486 38.002 38.487 0.002 0.000 0.989 167 N HN 0.297 nan 8.380 nan 0.000 0.426 168 V N 0.720 120.639 119.914 0.009 0.000 2.261 168 V HA -0.234 3.886 4.120 0.001 0.000 0.246 168 V C 2.359 178.465 176.094 0.020 0.000 1.047 168 V CA 1.436 63.758 62.300 0.037 0.000 1.015 168 V CB -0.513 31.367 31.823 0.095 0.000 0.642 168 V HN 0.393 nan 8.190 nan 0.000 0.446 169 M N 0.007 119.600 119.600 -0.012 0.000 2.149 169 M HA -0.150 4.330 4.480 0.001 0.000 0.261 169 M C 2.301 178.587 176.300 -0.023 0.000 1.064 169 M CA 2.255 57.537 55.300 -0.030 0.000 1.102 169 M CB -1.579 30.969 32.600 -0.087 0.000 1.369 169 M HN 0.429 nan 8.290 nan 0.000 0.408 170 A N -0.239 122.572 122.820 -0.015 0.000 1.970 170 A HA -0.066 4.255 4.320 0.001 0.000 0.216 170 A C 2.237 179.826 177.584 0.007 0.000 1.170 170 A CA 2.026 54.064 52.037 0.003 0.000 0.645 170 A CB -0.675 18.329 19.000 0.008 0.000 0.816 170 A HN 0.592 nan 8.150 nan 0.000 0.447 171 T N -4.476 110.082 114.554 0.007 0.000 2.969 171 T HA 0.220 4.570 4.350 0.001 0.000 0.250 171 T C 0.954 175.660 174.700 0.010 0.000 1.021 171 T CA 0.649 62.754 62.100 0.008 0.000 1.003 171 T CB -0.371 68.504 68.868 0.011 0.000 1.040 171 T HN 0.223 nan 8.240 nan 0.000 0.492 172 S N 1.190 116.903 115.700 0.021 0.000 2.549 172 S HA 0.340 4.810 4.470 0.001 0.000 0.279 172 S C 0.589 175.223 174.600 0.055 0.000 1.321 172 S CA -0.668 57.556 58.200 0.040 0.000 1.054 172 S CB 0.244 63.478 63.200 0.057 0.000 0.899 172 S HN 0.267 nan 8.310 nan 0.000 0.497 173 R N 3.018 123.568 120.500 0.083 0.000 2.613 173 R HA 0.260 4.601 4.340 0.001 0.000 0.361 173 R C -0.660 175.840 176.300 0.332 0.000 1.072 173 R CA -0.030 56.154 56.100 0.139 0.000 1.089 173 R CB 0.132 30.416 30.300 -0.027 0.000 1.343 173 R HN 0.540 nan 8.270 nan 0.000 0.571 174 K N 0.366 120.918 120.400 0.254 0.000 2.339 174 K HA 0.179 4.500 4.320 0.001 0.000 0.264 174 K C 0.127 176.878 176.600 0.252 0.000 0.986 174 K CA -0.492 55.953 56.287 0.263 0.000 0.866 174 K CB 1.627 34.216 32.500 0.148 0.000 1.103 174 K HN -0.108 nan 8.250 nan 0.000 0.441 175 Y N 3.022 123.422 120.300 0.166 0.000 2.102 175 Y HA -0.353 4.197 4.550 0.001 0.000 0.280 175 Y C 1.815 177.758 175.900 0.071 0.000 1.178 175 Y CA 1.914 60.008 58.100 -0.011 0.000 1.146 175 Y CB 0.405 38.792 38.460 -0.121 0.000 0.968 175 Y HN 0.637 nan 8.280 nan 0.000 0.504 176 E N -0.052 120.317 120.200 0.283 0.000 2.106 176 E HA -0.165 4.185 4.350 0.001 0.000 0.192 176 E C 1.743 178.463 176.600 0.200 0.000 0.984 176 E CA 1.343 57.874 56.400 0.218 0.000 0.806 176 E CB -0.339 29.459 29.700 0.163 0.000 0.750 176 E HN 0.622 nan 8.360 nan 0.000 0.458 177 D N 0.586 121.087 120.400 0.169 0.000 2.123 177 D HA -0.066 4.575 4.640 0.001 0.000 0.200 177 D C 2.231 178.678 176.300 0.245 0.000 0.976 177 D CA 0.494 54.604 54.000 0.183 0.000 0.831 177 D CB -0.262 40.600 40.800 0.104 0.000 0.974 177 D HN 0.150 nan 8.370 nan 0.000 0.469 178 L N 0.235 121.554 121.223 0.160 0.000 2.083 178 L HA -0.139 4.201 4.340 0.001 0.000 0.209 178 L C 2.343 179.344 176.870 0.220 0.000 1.083 178 L CA 0.426 55.349 54.840 0.140 0.000 0.752 178 L CB -0.311 41.723 42.059 -0.043 0.000 0.899 178 L HN 0.072 nan 8.230 nan 0.000 0.433 179 L N -0.670 120.660 121.223 0.177 0.000 2.027 179 L HA -0.206 4.134 4.340 0.001 0.000 0.206 179 L C 2.257 179.224 176.870 0.161 0.000 1.074 179 L CA 1.723 56.565 54.840 0.003 0.000 0.745 179 L CB -0.797 41.177 42.059 -0.143 0.000 0.898 179 L HN 0.312 nan 8.230 nan 0.000 0.433 180 W N 0.464 121.802 121.300 0.063 0.000 2.317 180 W HA -0.280 4.381 4.660 0.001 0.000 0.318 180 W C 2.347 178.913 176.519 0.077 0.000 1.227 180 W CA 2.914 60.299 57.345 0.066 0.000 1.269 180 W CB -0.442 29.060 29.460 0.069 0.000 1.155 180 W HN 0.258 nan 8.180 nan 0.000 0.484 181 A N -0.792 122.203 122.820 0.291 0.000 1.898 181 A HA -0.192 4.129 4.320 0.001 0.000 0.216 181 A C 1.719 179.308 177.584 0.009 0.000 1.181 181 A CA 1.469 53.541 52.037 0.059 0.000 0.620 181 A CB -1.683 17.470 19.000 0.255 0.000 0.819 181 A HN 0.657 nan 8.150 nan 0.000 0.442 182 W N 0.751 122.004 121.300 -0.078 0.000 2.355 182 W HA -0.175 4.486 4.660 0.001 0.000 0.309 182 W C 2.103 178.575 176.519 -0.079 0.000 1.206 182 W CA 2.035 59.339 57.345 -0.069 0.000 1.284 182 W CB 0.017 29.447 29.460 -0.051 0.000 1.145 182 W HN 0.398 nan 8.180 nan 0.000 0.502 183 E N -0.171 120.183 120.200 0.258 0.000 2.072 183 E HA -0.063 4.288 4.350 0.001 0.000 0.191 183 E C 2.405 178.886 176.600 -0.200 0.000 0.985 183 E CA 2.099 58.536 56.400 0.062 0.000 0.801 183 E CB -1.073 28.679 29.700 0.086 0.000 0.750 183 E HN 0.213 nan 8.360 nan 0.000 0.452 184 G N 0.700 109.294 108.800 -0.343 0.000 2.440 184 G HA2 -0.300 3.660 3.960 0.001 0.000 0.218 184 G HA3 -0.300 3.660 3.960 0.001 0.000 0.218 184 G C 1.465 176.202 174.900 -0.273 0.000 1.154 184 G CA 0.775 45.601 45.100 -0.457 0.000 0.767 184 G HN 0.488 nan 8.290 nan 0.000 0.552 185 W N 1.297 122.354 121.300 -0.405 0.000 2.363 185 W HA -0.052 4.609 4.660 0.001 0.000 0.296 185 W C 2.582 178.917 176.519 -0.307 0.000 1.212 185 W CA 0.986 58.130 57.345 -0.334 0.000 1.260 185 W CB 0.059 29.315 29.460 -0.340 0.000 1.131 185 W HN 0.182 nan 8.180 nan 0.000 0.530 186 R N 0.116 120.344 120.500 -0.454 0.000 2.115 186 R HA -0.127 4.214 4.340 0.001 0.000 0.226 186 R C 1.748 177.811 176.300 -0.394 0.000 1.100 186 R CA 1.704 57.493 56.100 -0.517 0.000 0.980 186 R CB -0.433 29.547 30.300 -0.534 0.000 0.875 186 R HN 0.016 nan 8.270 nan 0.000 0.445 187 D N 0.397 120.610 120.400 -0.312 0.000 2.117 187 D HA -0.123 4.518 4.640 0.001 0.000 0.198 187 D C 1.624 177.778 176.300 -0.243 0.000 0.982 187 D CA 1.191 55.054 54.000 -0.229 0.000 0.828 187 D CB 0.131 40.816 40.800 -0.191 0.000 0.967 187 D HN 0.039 nan 8.370 nan 0.000 0.464 188 K N 0.295 120.506 120.400 -0.314 0.000 2.128 188 K HA 0.195 4.516 4.320 0.001 0.000 0.202 188 K C 1.922 178.287 176.600 -0.392 0.000 1.050 188 K CA 0.679 56.791 56.287 -0.292 0.000 0.966 188 K CB -0.180 32.179 32.500 -0.236 0.000 0.759 188 K HN 0.049 nan 8.250 nan 0.000 0.454 189 A N 1.041 123.434 122.820 -0.712 0.000 1.871 189 A HA 0.129 4.450 4.320 0.001 0.000 0.211 189 A C 2.441 179.775 177.584 -0.416 0.000 1.207 189 A CA 1.422 53.013 52.037 -0.744 0.000 0.620 189 A CB -1.081 16.951 19.000 -1.613 0.000 0.860 189 A HN 0.297 nan 8.150 nan 0.000 0.450 190 G N -0.396 108.121 108.800 -0.471 0.000 2.421 190 G HA2 -0.207 3.753 3.960 0.001 0.000 0.216 190 G HA3 -0.207 3.753 3.960 0.001 0.000 0.216 190 G C 1.735 176.593 174.900 -0.070 0.000 1.171 190 G CA 0.836 45.761 45.100 -0.292 0.000 0.775 190 G HN 0.471 nan 8.290 nan 0.000 0.543 191 R N 0.415 120.849 120.500 -0.111 0.000 2.127 191 R HA -0.046 4.294 4.340 0.001 0.000 0.238 191 R C 2.842 179.125 176.300 -0.027 0.000 1.134 191 R CA 1.135 57.213 56.100 -0.037 0.000 0.975 191 R CB -0.293 29.960 30.300 -0.078 0.000 0.865 191 R HN 0.374 nan 8.270 nan 0.000 0.447 192 A N 0.488 123.277 122.820 -0.051 0.000 2.119 192 A HA -0.021 4.300 4.320 0.001 0.000 0.216 192 A C 1.785 179.415 177.584 0.077 0.000 1.152 192 A CA 0.693 52.720 52.037 -0.017 0.000 0.708 192 A CB 0.012 19.001 19.000 -0.019 0.000 0.805 192 A HN 0.081 nan 8.150 nan 0.000 0.460 193 I N -0.818 119.838 120.570 0.143 0.000 3.228 193 I HA -0.030 4.141 4.170 0.001 0.000 0.279 193 I C 2.099 178.341 176.117 0.209 0.000 1.221 193 I CA 0.500 61.978 61.300 0.297 0.000 1.458 193 I CB -0.819 37.342 38.000 0.268 0.000 1.105 193 I HN 0.309 nan 8.210 nan 0.000 0.445 194 L N 1.878 123.130 121.223 0.048 0.000 2.043 194 L HA -0.260 4.081 4.340 0.001 0.000 0.212 194 L C 2.677 179.448 176.870 -0.165 0.000 1.075 194 L CA 2.203 56.898 54.840 -0.242 0.000 0.752 194 L CB -0.788 41.172 42.059 -0.164 0.000 0.891 194 L HN 0.466 nan 8.230 nan 0.000 0.432 195 Q N -2.122 117.533 119.800 -0.241 0.000 2.291 195 Q HA -0.216 4.124 4.340 0.001 0.000 0.206 195 Q C 1.784 177.613 176.000 -0.285 0.000 0.976 195 Q CA 2.119 57.721 55.803 -0.334 0.000 0.875 195 Q CB -0.619 27.799 28.738 -0.532 0.000 0.927 195 Q HN 0.558 nan 8.270 nan 0.000 0.450 196 F N -1.571 118.417 119.950 0.064 0.000 2.582 196 F HA 0.123 4.650 4.527 0.001 0.000 0.290 196 F C 1.697 177.601 175.800 0.173 0.000 1.115 196 F CA -0.221 57.840 58.000 0.101 0.000 1.445 196 F CB -0.006 39.046 39.000 0.086 0.000 1.126 196 F HN -0.033 nan 8.300 nan 0.000 0.574 197 Y N 1.760 122.170 120.300 0.183 0.000 2.145 197 Y HA -0.104 4.446 4.550 0.001 0.000 0.286 197 Y C -0.669 175.406 175.900 0.292 0.000 1.145 197 Y CA 1.479 59.698 58.100 0.198 0.000 1.148 197 Y CB -1.698 36.714 38.460 -0.080 0.000 0.981 197 Y HN -0.086 nan 8.280 nan 0.000 0.507 198 P HA -0.190 nan 4.420 nan 0.000 0.215 198 P C 1.435 178.811 177.300 0.125 0.000 1.153 198 P CA 2.075 65.307 63.100 0.221 0.000 0.853 198 P CB 0.053 31.837 31.700 0.141 0.000 0.788 199 K N -0.990 119.496 120.400 0.144 0.000 2.025 199 K HA -0.188 4.133 4.320 0.001 0.000 0.207 199 K C 2.203 178.887 176.600 0.140 0.000 1.049 199 K CA 1.318 57.681 56.287 0.128 0.000 0.933 199 K CB -1.469 31.129 32.500 0.162 0.000 0.714 199 K HN 0.053 nan 8.250 nan 0.000 0.438 200 Y N 0.277 120.614 120.300 0.062 0.000 2.081 200 Y HA -0.271 4.279 4.550 0.001 0.000 0.280 200 Y C 1.724 177.628 175.900 0.006 0.000 1.163 200 Y CA 2.000 60.139 58.100 0.066 0.000 1.135 200 Y CB -0.658 37.772 38.460 -0.051 0.000 0.970 200 Y HN -0.116 nan 8.280 nan 0.000 0.498 201 V N 1.241 120.971 119.914 -0.307 0.000 2.287 201 V HA -0.333 3.787 4.120 0.001 0.000 0.248 201 V C 2.491 178.443 176.094 -0.236 0.000 1.053 201 V CA 2.339 64.447 62.300 -0.320 0.000 1.027 201 V CB -0.860 30.916 31.823 -0.079 0.000 0.646 201 V HN 0.596 nan 8.190 nan 0.000 0.447 202 E N -0.059 120.068 120.200 -0.122 0.000 2.070 202 E HA -0.250 4.101 4.350 0.001 0.000 0.197 202 E C 2.224 178.719 176.600 -0.175 0.000 1.004 202 E CA 1.770 58.105 56.400 -0.109 0.000 0.805 202 E CB -0.154 29.520 29.700 -0.045 0.000 0.744 202 E HN 0.573 nan 8.360 nan 0.000 0.451 203 L N 0.613 121.727 121.223 -0.181 0.000 2.072 203 L HA -0.082 4.258 4.340 0.001 0.000 0.205 203 L C 2.717 179.268 176.870 -0.531 0.000 1.079 203 L CA 0.640 55.317 54.840 -0.271 0.000 0.752 203 L CB -0.223 41.766 42.059 -0.116 0.000 0.906 203 L HN 0.305 nan 8.230 nan 0.000 0.436 204 I N -0.143 120.055 120.570 -0.620 0.000 2.439 204 I HA -0.245 3.925 4.170 0.001 0.000 0.251 204 I C 2.102 177.866 176.117 -0.588 0.000 1.139 204 I CA 0.981 61.855 61.300 -0.710 0.000 1.438 204 I CB -0.030 37.562 38.000 -0.680 0.000 1.085 204 I HN 0.339 nan 8.210 nan 0.000 0.427 205 N N 0.813 119.206 118.700 -0.512 0.000 2.142 205 N HA -0.253 4.488 4.740 0.001 0.000 0.186 205 N C 1.712 177.050 175.510 -0.287 0.000 1.023 205 N CA 1.198 54.007 53.050 -0.401 0.000 0.852 205 N CB -0.364 37.956 38.487 -0.277 0.000 0.998 205 N HN 0.484 nan 8.380 nan 0.000 0.424 206 Q N 0.283 119.926 119.800 -0.261 0.000 2.084 206 Q HA -0.078 4.262 4.340 0.001 0.000 0.202 206 Q C 1.798 177.679 176.000 -0.198 0.000 0.978 206 Q CA 1.604 57.289 55.803 -0.196 0.000 0.844 206 Q CB -0.078 28.555 28.738 -0.174 0.000 0.898 206 Q HN 0.361 nan 8.270 nan 0.000 0.426 207 A N 0.699 123.356 122.820 -0.272 0.000 1.902 207 A HA -0.137 4.184 4.320 0.001 0.000 0.217 207 A C 2.261 179.755 177.584 -0.151 0.000 1.181 207 A CA 1.719 53.618 52.037 -0.231 0.000 0.623 207 A CB -0.924 17.878 19.000 -0.330 0.000 0.818 207 A HN 0.558 nan 8.150 nan 0.000 0.443 208 A N -0.232 122.475 122.820 -0.188 0.000 1.877 208 A HA -0.158 4.162 4.320 0.001 0.000 0.216 208 A C 2.253 179.838 177.584 0.003 0.000 1.186 208 A CA 1.493 53.478 52.037 -0.087 0.000 0.620 208 A CB -0.488 18.379 19.000 -0.222 0.000 0.822 208 A HN 0.538 nan 8.150 nan 0.000 0.443 209 R N -0.582 119.876 120.500 -0.070 0.000 2.081 209 R HA -0.049 4.291 4.340 0.001 0.000 0.235 209 R C 1.901 178.168 176.300 -0.056 0.000 1.131 209 R CA 1.419 57.484 56.100 -0.058 0.000 0.960 209 R CB -0.548 29.704 30.300 -0.079 0.000 0.856 209 R HN 0.507 nan 8.270 nan 0.000 0.436 210 L N 0.872 122.057 121.223 -0.063 0.000 2.362 210 L HA -0.112 4.229 4.340 0.001 0.000 0.219 210 L C 1.186 178.031 176.870 -0.042 0.000 1.134 210 L CA 0.706 55.513 54.840 -0.056 0.000 0.807 210 L CB -0.220 41.803 42.059 -0.061 0.000 0.927 210 L HN 0.190 nan 8.230 nan 0.000 0.447 211 N N -0.131 118.561 118.700 -0.014 0.000 2.235 211 N HA 0.103 4.844 4.740 0.001 0.000 0.209 211 N C 1.260 176.694 175.510 -0.128 0.000 1.122 211 N CA 0.879 53.930 53.050 0.001 0.000 0.845 211 N CB 1.217 39.781 38.487 0.129 0.000 1.004 211 N HN 0.349 nan 8.380 nan 0.000 0.499 212 G N 0.200 108.908 108.800 -0.154 0.000 2.175 212 G HA2 -0.276 3.685 3.960 0.001 0.000 0.244 212 G HA3 -0.276 3.685 3.960 0.001 0.000 0.244 212 G C -0.203 174.474 174.900 -0.372 0.000 0.982 212 G CA -0.067 44.869 45.100 -0.274 0.000 0.641 212 G HN 0.344 nan 8.290 nan 0.000 0.527 213 Y N -0.694 119.560 120.300 -0.078 0.000 2.458 213 Y HA 0.447 4.997 4.550 0.001 0.000 0.322 213 Y C 1.827 177.663 175.900 -0.108 0.000 1.259 213 Y CA -0.237 57.809 58.100 -0.091 0.000 1.302 213 Y CB 1.317 39.711 38.460 -0.109 0.000 1.314 213 Y HN 0.270 nan 8.280 nan 0.000 0.509 214 V N -2.352 117.602 119.914 0.066 0.000 2.951 214 V HA 0.121 4.241 4.120 0.001 0.000 0.255 214 V C -0.452 175.605 176.094 -0.061 0.000 1.088 214 V CA 1.464 63.753 62.300 -0.017 0.000 1.109 214 V CB -0.693 31.114 31.823 -0.027 0.000 0.724 214 V HN 0.892 nan 8.190 nan 0.000 0.471 215 D N -2.915 117.426 120.400 -0.098 0.000 2.725 215 D HA 0.580 5.220 4.640 0.001 0.000 0.292 215 D C 0.636 176.705 176.300 -0.385 0.000 1.288 215 D CA -0.015 53.859 54.000 -0.210 0.000 0.784 215 D CB 0.975 41.687 40.800 -0.147 0.000 1.308 215 D HN 0.113 nan 8.370 nan 0.000 0.429 216 A N -0.048 122.343 122.820 -0.715 0.000 1.972 216 A HA 0.155 4.475 4.320 0.001 0.000 0.219 216 A C 2.025 178.925 177.584 -1.141 0.000 1.169 216 A CA 2.160 53.484 52.037 -1.187 0.000 0.635 216 A CB -1.515 16.215 19.000 -2.117 0.000 0.810 216 A HN 0.676 nan 8.150 nan 0.000 0.446 217 G N -0.060 108.360 108.800 -0.633 0.000 2.421 217 G HA2 -0.304 3.657 3.960 0.001 0.000 0.216 217 G HA3 -0.304 3.657 3.960 0.001 0.000 0.216 217 G C 1.309 176.013 174.900 -0.326 0.000 1.171 217 G CA 1.409 46.392 45.100 -0.194 0.000 0.775 217 G HN 0.564 nan 8.290 nan 0.000 0.543 218 D N 0.287 120.505 120.400 -0.304 0.000 2.149 218 D HA -0.133 4.508 4.640 0.001 0.000 0.198 218 D C 2.576 178.701 176.300 -0.292 0.000 0.990 218 D CA 1.616 55.487 54.000 -0.215 0.000 0.839 218 D CB -0.364 40.394 40.800 -0.070 0.000 0.948 218 D HN 0.227 nan 8.370 nan 0.000 0.460 219 S N -1.200 114.170 115.700 -0.549 0.000 2.356 219 S HA -0.136 4.334 4.470 0.001 0.000 0.223 219 S C 1.829 176.237 174.600 -0.321 0.000 1.032 219 S CA 1.288 58.880 58.200 -1.013 0.000 1.005 219 S CB -0.579 62.111 63.200 -0.850 0.000 0.867 219 S HN 0.419 nan 8.310 nan 0.000 0.449 220 W N 1.949 123.084 121.300 -0.275 0.000 2.333 220 W HA 0.103 4.763 4.660 0.001 0.000 0.316 220 W C 2.734 179.280 176.519 0.045 0.000 1.215 220 W CA 0.441 57.756 57.345 -0.049 0.000 1.278 220 W CB -1.336 28.212 29.460 0.148 0.000 1.154 220 W HN 0.352 nan 8.180 nan 0.000 0.486 221 R N 0.502 121.142 120.500 0.233 0.000 2.133 221 R HA -0.189 4.151 4.340 0.001 0.000 0.247 221 R C 2.256 178.698 176.300 0.237 0.000 1.151 221 R CA 2.174 58.364 56.100 0.149 0.000 0.971 221 R CB -0.945 29.232 30.300 -0.205 0.000 0.866 221 R HN 0.223 nan 8.270 nan 0.000 0.447 222 S N 0.170 115.951 115.700 0.136 0.000 2.507 222 S HA -0.100 4.371 4.470 0.001 0.000 0.235 222 S C 1.852 176.582 174.600 0.218 0.000 0.988 222 S CA 0.775 59.090 58.200 0.192 0.000 0.944 222 S CB -0.157 63.176 63.200 0.222 0.000 0.762 222 S HN 0.255 nan 8.310 nan 0.000 0.526 223 M N -0.340 119.361 119.600 0.168 0.000 2.374 223 M HA 0.000 4.481 4.480 0.001 0.000 0.264 223 M C 1.026 177.352 176.300 0.044 0.000 1.067 223 M CA 1.256 56.577 55.300 0.036 0.000 1.103 223 M CB -0.531 31.980 32.600 -0.147 0.000 1.402 223 M HN 0.385 nan 8.290 nan 0.000 0.444 224 Y N 0.496 120.946 120.300 0.251 0.000 2.523 224 Y HA 0.037 4.588 4.550 0.001 0.000 0.279 224 Y C 0.595 176.758 175.900 0.438 0.000 1.139 224 Y CA 0.074 58.377 58.100 0.338 0.000 1.296 224 Y CB -0.191 38.434 38.460 0.276 0.000 1.045 224 Y HN 0.272 nan 8.280 nan 0.000 0.538 225 E N 0.298 120.747 120.200 0.415 0.000 2.403 225 E HA -0.209 4.141 4.350 0.001 0.000 0.241 225 E C -0.650 176.120 176.600 0.284 0.000 1.201 225 E CA 0.826 57.404 56.400 0.297 0.000 0.721 225 E CB -1.971 27.861 29.700 0.220 0.000 1.245 225 E HN 0.221 nan 8.360 nan 0.000 0.392 226 T N -0.097 114.662 114.554 0.342 0.000 2.963 226 T HA 0.275 4.625 4.350 0.001 0.000 0.328 226 T C -1.773 173.051 174.700 0.205 0.000 1.048 226 T CA -1.317 60.965 62.100 0.303 0.000 1.033 226 T CB 1.639 70.805 68.868 0.497 0.000 1.010 226 T HN -0.160 nan 8.240 nan 0.000 0.469 227 P HA -0.138 nan 4.420 nan 0.000 0.216 227 P C 1.495 178.850 177.300 0.091 0.000 1.150 227 P CA 0.948 64.105 63.100 0.096 0.000 0.843 227 P CB 0.101 31.843 31.700 0.070 0.000 0.787 228 S N -1.868 113.900 115.700 0.114 0.000 2.631 228 S HA 0.042 4.513 4.470 0.001 0.000 0.217 228 S C 1.631 176.311 174.600 0.133 0.000 0.958 228 S CA -0.211 58.056 58.200 0.113 0.000 0.920 228 S CB -1.246 62.026 63.200 0.118 0.000 0.776 228 S HN -0.064 nan 8.310 nan 0.000 0.517 229 L N 2.544 123.853 121.223 0.143 0.000 1.991 229 L HA -0.220 4.121 4.340 0.001 0.000 0.221 229 L C 2.419 179.362 176.870 0.120 0.000 1.079 229 L CA 2.148 57.070 54.840 0.137 0.000 0.778 229 L CB -0.810 41.306 42.059 0.095 0.000 0.893 229 L HN 0.348 nan 8.230 nan 0.000 0.437 230 E N -1.055 119.190 120.200 0.075 0.000 2.058 230 E HA -0.305 4.045 4.350 0.001 0.000 0.194 230 E C 2.182 178.877 176.600 0.159 0.000 0.997 230 E CA 1.860 58.329 56.400 0.115 0.000 0.801 230 E CB -0.251 29.474 29.700 0.043 0.000 0.746 230 E HN 0.685 nan 8.360 nan 0.000 0.450 231 Q N 0.409 120.287 119.800 0.130 0.000 2.079 231 Q HA -0.158 4.182 4.340 0.001 0.000 0.200 231 Q C 1.893 177.988 176.000 0.158 0.000 0.974 231 Q CA 1.167 57.052 55.803 0.137 0.000 0.840 231 Q CB 0.046 28.849 28.738 0.109 0.000 0.898 231 Q HN 0.224 nan 8.270 nan 0.000 0.430 232 D N 0.704 121.205 120.400 0.168 0.000 2.104 232 D HA -0.167 4.473 4.640 0.001 0.000 0.194 232 D C 1.912 178.347 176.300 0.224 0.000 0.994 232 D CA 1.092 55.208 54.000 0.192 0.000 0.830 232 D CB -0.171 40.762 40.800 0.222 0.000 0.959 232 D HN 0.230 nan 8.370 nan 0.000 0.452 233 L N 0.381 121.751 121.223 0.246 0.000 2.093 233 L HA -0.140 4.200 4.340 0.001 0.000 0.208 233 L C 2.431 179.437 176.870 0.227 0.000 1.085 233 L CA 0.859 55.887 54.840 0.313 0.000 0.755 233 L CB -0.340 41.887 42.059 0.280 0.000 0.904 233 L HN -0.041 nan 8.230 nan 0.000 0.435 234 E N 0.833 121.166 120.200 0.221 0.000 2.077 234 E HA -0.203 4.147 4.350 0.001 0.000 0.193 234 E C 2.273 178.979 176.600 0.176 0.000 0.989 234 E CA 1.393 57.905 56.400 0.188 0.000 0.800 234 E CB 0.016 29.850 29.700 0.224 0.000 0.746 234 E HN 0.208 nan 8.360 nan 0.000 0.452 235 R N -0.341 120.259 120.500 0.167 0.000 2.081 235 R HA -0.074 4.266 4.340 0.001 0.000 0.235 235 R C 2.538 178.914 176.300 0.127 0.000 1.131 235 R CA 1.465 57.647 56.100 0.137 0.000 0.960 235 R CB -0.407 29.968 30.300 0.126 0.000 0.856 235 R HN 0.263 nan 8.270 nan 0.000 0.436 236 L N -0.490 120.838 121.223 0.174 0.000 2.056 236 L HA -0.178 4.163 4.340 0.001 0.000 0.207 236 L C 2.294 179.241 176.870 0.129 0.000 1.078 236 L CA 1.072 56.002 54.840 0.151 0.000 0.749 236 L CB -0.471 41.708 42.059 0.200 0.000 0.901 236 L HN 0.128 nan 8.230 nan 0.000 0.433 237 F N 0.751 120.734 119.950 0.055 0.000 2.069 237 F HA -0.262 4.265 4.527 0.001 0.000 0.298 237 F C 2.674 178.438 175.800 -0.060 0.000 1.113 237 F CA 1.598 59.531 58.000 -0.112 0.000 1.214 237 F CB -0.246 38.306 39.000 -0.748 0.000 0.978 237 F HN 0.027 nan 8.300 nan 0.000 0.474 238 Q N 0.427 120.173 119.800 -0.090 0.000 2.291 238 Q HA -0.156 4.184 4.340 0.001 0.000 0.206 238 Q C 1.925 177.836 176.000 -0.148 0.000 0.976 238 Q CA 1.165 56.897 55.803 -0.119 0.000 0.875 238 Q CB -0.405 28.374 28.738 0.067 0.000 0.927 238 Q HN 0.529 nan 8.270 nan 0.000 0.450 239 E N -0.014 120.120 120.200 -0.110 0.000 2.216 239 E HA -0.010 4.341 4.350 0.001 0.000 0.192 239 E C 1.683 178.217 176.600 -0.110 0.000 0.988 239 E CA 0.455 56.809 56.400 -0.076 0.000 0.834 239 E CB 0.076 29.759 29.700 -0.029 0.000 0.772 239 E HN 0.321 nan 8.360 nan 0.000 0.479 240 L N 0.775 121.888 121.223 -0.183 0.000 2.607 240 L HA 0.073 4.413 4.340 0.001 0.000 0.228 240 L C 2.159 178.923 176.870 -0.176 0.000 1.123 240 L CA -0.005 54.732 54.840 -0.171 0.000 0.890 240 L CB 0.082 42.031 42.059 -0.184 0.000 1.103 240 L HN -0.092 nan 8.230 nan 0.000 0.468 241 Q N 0.740 120.388 119.800 -0.253 0.000 2.030 241 Q HA -0.160 4.180 4.340 0.001 0.000 0.204 241 Q C -0.267 175.705 176.000 -0.047 0.000 0.986 241 Q CA 1.961 57.645 55.803 -0.198 0.000 0.843 241 Q CB -1.233 27.369 28.738 -0.227 0.000 0.904 241 Q HN 0.349 nan 8.270 nan 0.000 0.420 242 P HA -0.161 nan 4.420 nan 0.000 0.215 242 P C 1.579 178.873 177.300 -0.010 0.000 1.157 242 P CA 0.874 63.958 63.100 -0.027 0.000 0.874 242 P CB -0.154 31.530 31.700 -0.026 0.000 0.790 243 L N -1.660 119.552 121.223 -0.018 0.000 2.017 243 L HA -0.173 4.167 4.340 0.001 0.000 0.208 243 L C 2.409 179.281 176.870 0.004 0.000 1.073 243 L CA 1.826 56.652 54.840 -0.023 0.000 0.745 243 L CB -1.763 40.254 42.059 -0.070 0.000 0.894 243 L HN -0.062 nan 8.230 nan 0.000 0.432 244 Y N -0.503 119.751 120.300 -0.077 0.000 2.200 244 Y HA -0.200 4.350 4.550 0.001 0.000 0.290 244 Y C 2.323 178.299 175.900 0.128 0.000 1.137 244 Y CA 1.679 59.772 58.100 -0.013 0.000 1.163 244 Y CB -0.292 38.155 38.460 -0.022 0.000 0.988 244 Y HN 0.156 nan 8.280 nan 0.000 0.518 245 L N 0.102 121.322 121.223 -0.006 0.000 2.079 245 L HA -0.271 4.069 4.340 0.001 0.000 0.210 245 L C 2.260 179.139 176.870 0.015 0.000 1.081 245 L CA 1.438 56.267 54.840 -0.018 0.000 0.752 245 L CB -0.663 41.385 42.059 -0.017 0.000 0.896 245 L HN 0.322 nan 8.230 nan 0.000 0.433 246 N N 0.165 118.870 118.700 0.008 0.000 2.142 246 N HA -0.164 4.576 4.740 0.001 0.000 0.186 246 N C 1.877 177.437 175.510 0.084 0.000 1.023 246 N CA 1.156 54.230 53.050 0.040 0.000 0.852 246 N CB -0.143 38.355 38.487 0.018 0.000 0.998 246 N HN 0.185 nan 8.380 nan 0.000 0.424 247 L N 1.482 122.728 121.223 0.039 0.000 2.046 247 L HA -0.151 4.189 4.340 0.001 0.000 0.208 247 L C 2.386 179.384 176.870 0.214 0.000 1.077 247 L CA 1.784 56.690 54.840 0.110 0.000 0.747 247 L CB -0.990 41.075 42.059 0.011 0.000 0.896 247 L HN 0.281 nan 8.230 nan 0.000 0.432 248 H N -0.085 118.959 119.070 -0.044 0.000 2.290 248 H HA -0.156 4.400 4.556 0.001 0.000 0.298 248 H C 1.949 177.349 175.328 0.121 0.000 1.087 248 H CA 1.873 57.958 56.048 0.062 0.000 1.291 248 H CB 0.002 29.682 29.762 -0.137 0.000 1.369 248 H HN 0.474 nan 8.280 nan 0.000 0.492 249 A N 0.475 123.462 122.820 0.279 0.000 1.883 249 A HA -0.250 4.071 4.320 0.001 0.000 0.217 249 A C 2.450 180.075 177.584 0.069 0.000 1.186 249 A CA 1.693 53.836 52.037 0.177 0.000 0.624 249 A CB -1.418 17.670 19.000 0.147 0.000 0.822 249 A HN 0.647 nan 8.150 nan 0.000 0.444 250 Y N 0.453 120.755 120.300 0.003 0.000 2.145 250 Y HA -0.162 4.389 4.550 0.001 0.000 0.286 250 Y C 2.385 178.271 175.900 -0.024 0.000 1.145 250 Y CA 1.913 59.999 58.100 -0.023 0.000 1.148 250 Y CB -0.358 38.127 38.460 0.041 0.000 0.981 250 Y HN 0.060 nan 8.280 nan 0.000 0.507 251 V N 0.888 120.804 119.914 0.004 0.000 2.358 251 V HA -0.287 3.833 4.120 0.001 0.000 0.246 251 V C 2.543 178.505 176.094 -0.220 0.000 1.047 251 V CA 2.190 64.428 62.300 -0.104 0.000 1.035 251 V CB -0.720 31.138 31.823 0.058 0.000 0.658 251 V HN 0.355 nan 8.190 nan 0.000 0.452 252 R N 0.201 120.562 120.500 -0.231 0.000 2.083 252 R HA -0.264 4.077 4.340 0.001 0.000 0.237 252 R C 2.461 178.675 176.300 -0.143 0.000 1.137 252 R CA 2.208 58.182 56.100 -0.211 0.000 0.951 252 R CB -0.270 29.910 30.300 -0.201 0.000 0.851 252 R HN 0.377 nan 8.270 nan 0.000 0.434 253 R N 0.561 120.943 120.500 -0.197 0.000 2.083 253 R HA -0.064 4.276 4.340 0.001 0.000 0.237 253 R C 1.978 178.173 176.300 -0.175 0.000 1.137 253 R CA 2.050 58.020 56.100 -0.217 0.000 0.951 253 R CB -0.810 29.293 30.300 -0.328 0.000 0.851 253 R HN 0.337 nan 8.270 nan 0.000 0.434 254 A N 0.409 123.057 122.820 -0.287 0.000 1.933 254 A HA -0.073 4.247 4.320 0.001 0.000 0.218 254 A C 2.268 179.805 177.584 -0.079 0.000 1.175 254 A CA 1.532 53.432 52.037 -0.228 0.000 0.628 254 A CB -0.561 18.246 19.000 -0.322 0.000 0.814 254 A HN 0.378 nan 8.150 nan 0.000 0.444 255 L N -1.606 119.595 121.223 -0.037 0.000 2.156 255 L HA -0.144 4.196 4.340 0.001 0.000 0.208 255 L C 2.650 179.625 176.870 0.176 0.000 1.095 255 L CA 1.239 56.150 54.840 0.118 0.000 0.770 255 L CB -0.681 41.431 42.059 0.090 0.000 0.914 255 L HN 0.582 nan 8.230 nan 0.000 0.439 256 H N 0.959 120.026 119.070 -0.004 0.000 2.352 256 H HA -0.164 4.392 4.556 0.001 0.000 0.299 256 H C 2.399 177.719 175.328 -0.014 0.000 1.097 256 H CA 1.739 57.783 56.048 -0.008 0.000 1.311 256 H CB 0.261 29.982 29.762 -0.068 0.000 1.377 256 H HN 0.209 nan 8.280 nan 0.000 0.504 257 R N -1.088 119.460 120.500 0.081 0.000 2.066 257 R HA -0.147 4.194 4.340 0.001 0.000 0.232 257 R C 2.483 178.744 176.300 -0.066 0.000 1.131 257 R CA 1.817 57.923 56.100 0.010 0.000 0.955 257 R CB -0.236 30.059 30.300 -0.008 0.000 0.851 257 R HN 0.419 nan 8.270 nan 0.000 0.432 258 H N -1.556 117.413 119.070 -0.167 0.000 2.384 258 H HA -0.021 4.536 4.556 0.001 0.000 0.300 258 H C 0.964 176.054 175.328 -0.397 0.000 1.057 258 H CA 1.515 57.370 56.048 -0.322 0.000 1.370 258 H CB 0.165 29.643 29.762 -0.474 0.000 1.417 258 H HN 0.214 nan 8.280 nan 0.000 0.527 259 Y N -0.100 120.164 120.300 -0.060 0.000 2.482 259 Y HA 0.280 4.831 4.550 0.001 0.000 0.270 259 Y C 0.981 176.866 175.900 -0.024 0.000 1.152 259 Y CA 0.199 58.276 58.100 -0.038 0.000 1.292 259 Y CB 0.891 39.432 38.460 0.135 0.000 1.070 259 Y HN 0.460 nan 8.280 nan 0.000 0.528 260 G N -0.094 108.678 108.800 -0.045 0.000 2.712 260 G HA2 0.010 3.970 3.960 0.001 0.000 0.686 260 G HA3 0.010 3.970 3.960 0.001 0.000 0.686 260 G C 0.522 175.219 174.900 -0.338 0.000 1.181 260 G CA -0.549 44.455 45.100 -0.160 0.000 0.762 260 G HN 0.341 nan 8.290 nan 0.000 0.641 261 A N 0.543 123.064 122.820 -0.498 0.000 2.019 261 A HA -0.000 4.320 4.320 0.001 0.000 0.219 261 A C 2.234 179.690 177.584 -0.214 0.000 1.164 261 A CA 2.281 54.029 52.037 -0.482 0.000 0.644 261 A CB -0.237 18.643 19.000 -0.200 0.000 0.805 261 A HN 0.748 nan 8.150 nan 0.000 0.449 262 Q N -0.620 119.007 119.800 -0.288 0.000 2.364 262 Q HA -0.105 4.236 4.340 0.001 0.000 0.207 262 Q C 0.775 176.488 176.000 -0.479 0.000 0.970 262 Q CA 1.027 56.599 55.803 -0.384 0.000 0.888 262 Q CB -0.147 28.266 28.738 -0.543 0.000 0.951 262 Q HN 0.852 nan 8.270 nan 0.000 0.469 263 H N -1.527 117.542 119.070 -0.001 0.000 2.893 263 H HA 0.262 4.818 4.556 0.001 0.000 0.270 263 H C 0.124 175.609 175.328 0.263 0.000 1.095 263 H CA -0.092 56.002 56.048 0.076 0.000 1.186 263 H CB 1.605 31.282 29.762 -0.142 0.000 1.562 263 H HN -0.004 nan 8.280 nan 0.000 0.536 264 I N 2.014 122.692 120.570 0.179 0.000 2.499 264 I HA 0.120 4.291 4.170 0.001 0.000 0.288 264 I C 0.081 176.096 176.117 -0.171 0.000 1.048 264 I CA -0.814 60.507 61.300 0.035 0.000 1.062 264 I CB 1.993 40.054 38.000 0.101 0.000 1.238 264 I HN 0.016 nan 8.210 nan 0.000 0.426 265 N N 6.465 124.692 118.700 -0.788 0.000 2.414 265 N HA 0.270 5.011 4.740 0.001 0.000 0.256 265 N C 0.606 175.855 175.510 -0.435 0.000 1.029 265 N CA -0.249 52.316 53.050 -0.808 0.000 0.948 265 N CB 1.303 38.712 38.487 -1.797 0.000 1.102 265 N HN 0.554 nan 8.380 nan 0.000 0.496 266 L N 2.541 123.619 121.223 -0.242 0.000 2.633 266 L HA 0.015 4.356 4.340 0.001 0.000 0.235 266 L C 0.825 177.628 176.870 -0.111 0.000 1.163 266 L CA 0.882 55.609 54.840 -0.188 0.000 0.859 266 L CB 0.002 41.911 42.059 -0.250 0.000 0.973 266 L HN 0.573 nan 8.230 nan 0.000 0.451 267 E N -1.007 119.116 120.200 -0.127 0.000 2.714 267 E HA 0.219 4.569 4.350 0.001 0.000 0.219 267 E C 0.691 177.308 176.600 0.028 0.000 0.979 267 E CA -0.163 56.221 56.400 -0.026 0.000 1.092 267 E CB 1.061 30.743 29.700 -0.030 0.000 1.049 267 E HN 0.339 nan 8.360 nan 0.000 0.487 268 G N 1.856 110.609 108.800 -0.079 0.000 3.013 268 G HA2 0.477 4.438 3.960 0.001 0.000 0.278 268 G HA3 0.477 4.438 3.960 0.001 0.000 0.278 268 G C -2.840 172.147 174.900 0.146 0.000 1.353 268 G CA -1.480 43.639 45.100 0.031 0.000 1.043 268 G HN -0.211 nan 8.290 nan 0.000 0.523 269 P HA 0.318 nan 4.420 nan 0.000 0.274 269 P C -0.405 177.003 177.300 0.179 0.000 1.237 269 P CA -0.225 62.962 63.100 0.146 0.000 0.793 269 P CB 1.340 33.089 31.700 0.080 0.000 0.977 270 I N 2.485 123.121 120.570 0.109 0.000 2.395 270 I HA 0.187 4.358 4.170 0.001 0.000 0.289 270 I C -1.999 174.173 176.117 0.092 0.000 1.023 270 I CA -2.589 58.728 61.300 0.030 0.000 1.350 270 I CB 0.728 38.619 38.000 -0.181 0.000 1.409 270 I HN 0.095 nan 8.210 nan 0.000 0.507 271 P HA -0.046 nan 4.420 nan 0.000 0.262 271 P C 0.306 177.572 177.300 -0.056 0.000 1.199 271 P CA 0.157 63.292 63.100 0.059 0.000 0.763 271 P CB 0.823 32.617 31.700 0.158 0.000 0.790 272 A N 4.207 126.990 122.820 -0.062 0.000 2.178 272 A HA -0.191 4.129 4.320 0.001 0.000 0.218 272 A C 1.423 178.935 177.584 -0.121 0.000 1.157 272 A CA 1.288 53.334 52.037 0.016 0.000 0.689 272 A CB -1.129 18.076 19.000 0.342 0.000 0.787 272 A HN 0.697 nan 8.150 nan 0.000 0.465 273 H N -1.378 117.315 119.070 -0.629 0.000 2.539 273 H HA 0.300 4.856 4.556 0.001 0.000 0.269 273 H C 0.876 175.972 175.328 -0.386 0.000 0.980 273 H CA 0.021 55.740 56.048 -0.548 0.000 1.152 273 H CB -0.664 28.641 29.762 -0.760 0.000 1.407 273 H HN 0.445 nan 8.280 nan 0.000 0.564 274 L N 0.786 121.613 121.223 -0.660 0.000 2.667 274 L HA 0.137 4.477 4.340 0.001 0.000 0.232 274 L C 0.823 177.468 176.870 -0.375 0.000 1.138 274 L CA -0.089 54.375 54.840 -0.626 0.000 0.921 274 L CB 0.326 41.948 42.059 -0.728 0.000 1.180 274 L HN 0.119 nan 8.230 nan 0.000 0.487 275 L N 0.186 121.207 121.223 -0.336 0.000 2.667 275 L HA 0.344 4.684 4.340 0.001 0.000 0.232 275 L C 1.473 178.275 176.870 -0.114 0.000 1.138 275 L CA 0.808 55.425 54.840 -0.371 0.000 0.921 275 L CB -0.750 40.873 42.059 -0.727 0.000 1.180 275 L HN 0.454 nan 8.230 nan 0.000 0.487 276 G N 1.126 109.883 108.800 -0.071 0.000 2.157 276 G HA2 -0.272 3.688 3.960 0.001 0.000 0.248 276 G HA3 -0.272 3.688 3.960 0.001 0.000 0.248 276 G C 0.247 175.165 174.900 0.029 0.000 0.979 276 G CA 0.385 45.485 45.100 0.000 0.000 0.650 276 G HN 0.452 nan 8.290 nan 0.000 0.529 277 N N -0.770 117.946 118.700 0.027 0.000 2.324 277 N HA 0.361 5.101 4.740 0.001 0.000 0.285 277 N C 1.122 176.575 175.510 -0.095 0.000 1.076 277 N CA -0.174 52.890 53.050 0.023 0.000 0.864 277 N CB 1.354 39.940 38.487 0.165 0.000 1.632 277 N HN 0.003 nan 8.380 nan 0.000 0.478 278 M N 2.651 121.999 119.600 -0.421 0.000 2.255 278 M HA -0.005 4.476 4.480 0.001 0.000 0.259 278 M C 0.372 176.240 176.300 -0.720 0.000 1.071 278 M CA 1.793 56.608 55.300 -0.809 0.000 1.074 278 M CB -0.168 31.379 32.600 -1.755 0.000 1.384 278 M HN 0.635 nan 8.290 nan 0.000 0.415 279 W N -1.032 120.343 121.300 0.124 0.000 3.008 279 W HA 0.578 5.238 4.660 0.001 0.000 0.355 279 W C 1.110 177.682 176.519 0.088 0.000 1.095 279 W CA 0.214 57.627 57.345 0.112 0.000 1.738 279 W CB -0.914 28.502 29.460 -0.074 0.000 1.091 279 W HN 0.380 nan 8.180 nan 0.000 0.574 280 A N 1.911 124.891 122.820 0.267 0.000 2.799 280 A HA -0.353 3.967 4.320 0.001 0.000 0.287 280 A C 1.702 179.552 177.584 0.443 0.000 1.484 280 A CA 2.058 54.294 52.037 0.331 0.000 0.813 280 A CB -2.005 17.179 19.000 0.307 0.000 1.009 280 A HN 0.602 nan 8.150 nan 0.000 0.545 281 Q N -0.824 119.046 119.800 0.115 0.000 2.269 281 Q HA 0.111 4.451 4.340 0.001 0.000 0.201 281 Q C 0.726 176.855 176.000 0.214 0.000 0.946 281 Q CA 1.388 57.089 55.803 -0.170 0.000 0.877 281 Q CB -0.219 28.060 28.738 -0.764 0.000 0.963 281 Q HN 1.249 nan 8.270 nan 0.000 0.472 282 T N -3.330 111.411 114.554 0.312 0.000 2.916 282 T HA 0.388 4.738 4.350 0.001 0.000 0.298 282 T C -0.905 174.104 174.700 0.516 0.000 1.031 282 T CA -0.905 61.362 62.100 0.278 0.000 0.993 282 T CB 0.966 69.951 68.868 0.196 0.000 1.045 282 T HN 0.277 nan 8.240 nan 0.000 0.454 283 W N 1.170 122.555 121.300 0.141 0.000 3.008 283 W HA 0.246 4.906 4.660 0.001 0.000 0.355 283 W C 2.084 178.671 176.519 0.113 0.000 1.095 283 W CA -0.476 56.940 57.345 0.118 0.000 1.738 283 W CB -0.904 28.634 29.460 0.130 0.000 1.091 283 W HN 0.910 nan 8.180 nan 0.000 0.574 284 S N 0.199 116.081 115.700 0.304 0.000 2.469 284 S HA -0.185 4.285 4.470 0.001 0.000 0.238 284 S C 1.411 176.132 174.600 0.201 0.000 0.998 284 S CA 1.144 59.483 58.200 0.231 0.000 0.957 284 S CB -0.413 62.866 63.200 0.131 0.000 0.764 284 S HN 0.157 nan 8.310 nan 0.000 0.514 285 N N 2.019 120.819 118.700 0.166 0.000 2.512 285 N HA 0.059 4.799 4.740 0.001 0.000 0.183 285 N C 1.332 176.907 175.510 0.109 0.000 1.073 285 N CA 1.232 54.351 53.050 0.115 0.000 0.911 285 N CB -0.278 38.255 38.487 0.078 0.000 0.964 285 N HN 0.865 nan 8.380 nan 0.000 0.447 286 I N -3.021 117.626 120.570 0.128 0.000 3.914 286 I HA 0.155 4.325 4.170 0.001 0.000 0.333 286 I C 1.606 177.781 176.117 0.096 0.000 1.449 286 I CA -0.544 60.794 61.300 0.063 0.000 1.135 286 I CB -0.324 37.673 38.000 -0.004 0.000 1.073 286 I HN -0.211 nan 8.210 nan 0.000 0.401 287 Y N 2.321 122.654 120.300 0.056 0.000 2.139 287 Y HA -0.323 4.227 4.550 0.001 0.000 0.282 287 Y C 1.956 177.877 175.900 0.035 0.000 1.179 287 Y CA 2.021 60.161 58.100 0.067 0.000 1.161 287 Y CB -0.214 38.287 38.460 0.069 0.000 0.970 287 Y HN 0.301 nan 8.280 nan 0.000 0.511 288 D N 0.055 120.445 120.400 -0.018 0.000 2.265 288 D HA -0.161 4.479 4.640 0.001 0.000 0.208 288 D C 1.952 178.147 176.300 -0.174 0.000 0.977 288 D CA 1.366 55.304 54.000 -0.104 0.000 0.871 288 D CB -0.172 40.619 40.800 -0.014 0.000 0.925 288 D HN 0.457 nan 8.370 nan 0.000 0.485 289 L N -0.111 121.010 121.223 -0.170 0.000 2.477 289 L HA 0.029 4.369 4.340 0.001 0.000 0.220 289 L C 1.856 178.620 176.870 -0.176 0.000 1.106 289 L CA 0.282 55.009 54.840 -0.188 0.000 0.851 289 L CB 0.369 42.301 42.059 -0.212 0.000 0.994 289 L HN -0.032 nan 8.230 nan 0.000 0.462 290 V N -4.627 115.176 119.914 -0.185 0.000 3.432 290 V HA 0.222 4.342 4.120 0.001 0.000 0.298 290 V C 0.835 176.860 176.094 -0.114 0.000 1.464 290 V CA -0.414 61.811 62.300 -0.125 0.000 1.046 290 V CB 0.185 32.021 31.823 0.022 0.000 0.887 290 V HN -0.057 nan 8.190 nan 0.000 0.441 291 V N 3.114 122.804 119.914 -0.372 0.000 2.699 291 V HA -0.007 4.114 4.120 0.001 0.000 0.296 291 V C -0.482 175.508 176.094 -0.173 0.000 1.030 291 V CA 0.407 62.446 62.300 -0.434 0.000 1.219 291 V CB 0.051 31.628 31.823 -0.409 0.000 0.848 291 V HN 0.424 nan 8.190 nan 0.000 0.468 292 P HA -0.091 nan 4.420 nan 0.000 0.213 292 P C 0.268 177.193 177.300 -0.624 0.000 1.170 292 P CA 1.383 64.217 63.100 -0.444 0.000 0.898 292 P CB 0.124 31.253 31.700 -0.952 0.000 0.787 293 F N -1.821 118.084 119.950 -0.075 0.000 2.366 293 F HA 0.332 4.860 4.527 0.001 0.000 0.357 293 F C -1.629 174.154 175.800 -0.029 0.000 1.107 293 F CA -2.249 55.728 58.000 -0.039 0.000 1.208 293 F CB 0.984 39.932 39.000 -0.087 0.000 1.464 293 F HN -0.031 nan 8.300 nan 0.000 0.501 294 P HA -0.172 nan 4.420 nan 0.000 0.218 294 P C 1.413 178.758 177.300 0.075 0.000 1.146 294 P CA 1.328 64.457 63.100 0.049 0.000 0.813 294 P CB 0.252 31.964 31.700 0.020 0.000 0.778 295 S N -1.361 114.398 115.700 0.098 0.000 2.522 295 S HA 0.184 4.654 4.470 0.001 0.000 0.227 295 S C 1.197 175.820 174.600 0.039 0.000 0.986 295 S CA 0.298 58.538 58.200 0.066 0.000 0.929 295 S CB -0.563 62.675 63.200 0.064 0.000 0.769 295 S HN 0.196 nan 8.310 nan 0.000 0.529 299 M N 0.967 120.598 119.600 0.052 0.000 2.245 299 M HA 0.624 5.104 4.480 0.001 0.000 0.292 299 M C -0.447 175.866 176.300 0.022 0.000 1.176 299 M CA -0.126 55.196 55.300 0.036 0.000 1.035 299 M CB 0.359 32.973 32.600 0.023 0.000 1.440 299 M HN 0.616 nan 8.290 nan 0.000 0.494 300 D N 0.957 121.365 120.400 0.014 0.000 2.393 300 D HA 0.167 4.808 4.640 0.001 0.000 0.232 300 D C 0.353 176.636 176.300 -0.028 0.000 1.192 300 D CA 0.068 54.070 54.000 0.002 0.000 0.882 300 D CB 0.902 41.707 40.800 0.009 0.000 1.038 300 D HN 0.755 nan 8.370 nan 0.000 0.499 301 T N 2.033 116.556 114.554 -0.051 0.000 2.849 301 T HA -0.121 4.230 4.350 0.001 0.000 0.270 301 T C 1.708 176.335 174.700 -0.121 0.000 1.066 301 T CA 1.400 63.439 62.100 -0.101 0.000 1.130 301 T CB 0.161 68.957 68.868 -0.119 0.000 0.864 301 T HN 0.417 nan 8.240 nan 0.000 0.481 302 T N 1.414 115.922 114.554 -0.077 0.000 2.732 302 T HA -0.086 4.264 4.350 0.001 0.000 0.261 302 T C 1.935 176.606 174.700 -0.048 0.000 1.040 302 T CA 1.347 63.407 62.100 -0.068 0.000 1.145 302 T CB -0.240 68.609 68.868 -0.032 0.000 0.866 302 T HN 0.598 nan 8.240 nan 0.000 0.427 303 E N 1.299 121.484 120.200 -0.025 0.000 2.118 303 E HA -0.173 4.178 4.350 0.001 0.000 0.195 303 E C 2.325 178.920 176.600 -0.008 0.000 0.992 303 E CA 1.203 57.600 56.400 -0.006 0.000 0.804 303 E CB -0.243 29.459 29.700 0.003 0.000 0.741 303 E HN 0.459 nan 8.360 nan 0.000 0.458 304 A N 1.125 123.926 122.820 -0.033 0.000 1.877 304 A HA -0.167 4.153 4.320 0.001 0.000 0.216 304 A C 2.278 179.842 177.584 -0.033 0.000 1.186 304 A CA 1.782 53.802 52.037 -0.029 0.000 0.620 304 A CB -0.544 18.421 19.000 -0.059 0.000 0.822 304 A HN 0.335 nan 8.150 nan 0.000 0.443 305 M N -0.691 118.814 119.600 -0.158 0.000 2.086 305 M HA -0.121 4.360 4.480 0.001 0.000 0.261 305 M C 2.167 178.530 176.300 0.106 0.000 1.067 305 M CA 1.441 56.588 55.300 -0.255 0.000 1.116 305 M CB -0.549 31.786 32.600 -0.442 0.000 1.348 305 M HN 0.374 nan 8.290 nan 0.000 0.407 306 L N -0.168 121.090 121.223 0.058 0.000 2.005 306 L HA -0.199 4.141 4.340 0.001 0.000 0.207 306 L C 2.549 179.485 176.870 0.110 0.000 1.072 306 L CA 1.183 56.080 54.840 0.096 0.000 0.744 306 L CB -0.661 41.431 42.059 0.054 0.000 0.895 306 L HN 0.189 nan 8.230 nan 0.000 0.433 307 K N 0.180 120.630 120.400 0.083 0.000 2.283 307 K HA -0.128 4.193 4.320 0.001 0.000 0.202 307 K C 1.854 178.518 176.600 0.106 0.000 1.048 307 K CA 1.208 57.541 56.287 0.077 0.000 0.948 307 K CB 0.010 32.541 32.500 0.052 0.000 0.742 307 K HN 0.313 nan 8.250 nan 0.000 0.458 308 Q N -0.662 119.242 119.800 0.172 0.000 2.365 308 Q HA 0.137 4.477 4.340 0.001 0.000 0.203 308 Q C 0.488 176.611 176.000 0.206 0.000 0.929 308 Q CA 0.623 56.554 55.803 0.214 0.000 0.948 308 Q CB 0.509 29.449 28.738 0.337 0.000 1.043 308 Q HN 0.549 nan 8.270 nan 0.000 0.505 309 G N 0.755 109.671 108.800 0.194 0.000 2.143 309 G HA2 -0.222 3.739 3.960 0.001 0.000 0.249 309 G HA3 -0.222 3.739 3.960 0.001 0.000 0.249 309 G C -0.475 174.506 174.900 0.136 0.000 0.981 309 G CA -0.304 44.867 45.100 0.117 0.000 0.665 309 G HN 0.281 nan 8.290 nan 0.000 0.528 310 W N 1.289 122.604 121.300 0.026 0.000 2.193 310 W HA 0.494 5.155 4.660 0.001 0.000 0.338 310 W C 1.180 177.730 176.519 0.052 0.000 1.310 310 W CA 0.965 58.333 57.345 0.039 0.000 1.243 310 W CB 0.627 30.109 29.460 0.036 0.000 1.165 310 W HN 0.553 nan 8.180 nan 0.000 0.566 311 T N -0.257 114.456 114.554 0.265 0.000 2.865 311 T HA 0.407 4.758 4.350 0.001 0.000 0.294 311 T C -2.239 172.619 174.700 0.263 0.000 1.119 311 T CA -2.044 60.183 62.100 0.211 0.000 1.007 311 T CB 1.978 70.928 68.868 0.136 0.000 1.225 311 T HN -0.030 nan 8.240 nan 0.000 0.515 312 P HA -0.117 nan 4.420 nan 0.000 0.216 312 P C 1.630 179.228 177.300 0.497 0.000 1.157 312 P CA 1.234 64.552 63.100 0.363 0.000 0.880 312 P CB 0.043 31.941 31.700 0.331 0.000 0.791 313 R N -0.112 120.620 120.500 0.386 0.000 2.081 313 R HA -0.181 4.159 4.340 0.001 0.000 0.235 313 R C 2.419 178.933 176.300 0.355 0.000 1.131 313 R CA 1.643 58.000 56.100 0.428 0.000 0.960 313 R CB -0.443 30.000 30.300 0.240 0.000 0.856 313 R HN -0.101 nan 8.270 nan 0.000 0.436 314 R N 0.441 121.050 120.500 0.182 0.000 2.096 314 R HA -0.049 4.291 4.340 0.001 0.000 0.235 314 R C 2.034 178.435 176.300 0.169 0.000 1.127 314 R CA 2.014 58.132 56.100 0.030 0.000 0.968 314 R CB -0.362 29.822 30.300 -0.193 0.000 0.861 314 R HN 0.315 nan 8.270 nan 0.000 0.440 315 M N -0.801 118.996 119.600 0.328 0.000 2.117 315 M HA -0.082 4.398 4.480 0.001 0.000 0.262 315 M C 1.682 178.067 176.300 0.141 0.000 1.065 315 M CA 1.744 57.231 55.300 0.311 0.000 1.114 315 M CB -0.268 32.429 32.600 0.162 0.000 1.361 315 M HN 0.111 nan 8.290 nan 0.000 0.408 316 F N 0.208 120.363 119.950 0.342 0.000 2.259 316 F HA -0.117 4.411 4.527 0.001 0.000 0.298 316 F C 2.475 178.539 175.800 0.440 0.000 1.088 316 F CA 1.250 59.466 58.000 0.360 0.000 1.358 316 F CB -0.352 38.921 39.000 0.455 0.000 1.040 316 F HN 0.074 nan 8.300 nan 0.000 0.505 317 K N 0.703 121.473 120.400 0.616 0.000 2.057 317 K HA -0.227 4.093 4.320 0.001 0.000 0.207 317 K C 2.203 178.973 176.600 0.283 0.000 1.049 317 K CA 1.605 58.147 56.287 0.425 0.000 0.931 317 K CB -0.271 32.288 32.500 0.098 0.000 0.714 317 K HN 0.110 nan 8.250 nan 0.000 0.440 318 E N 0.786 121.130 120.200 0.239 0.000 2.110 318 E HA -0.176 4.174 4.350 0.001 0.000 0.193 318 E C 1.734 178.496 176.600 0.270 0.000 0.988 318 E CA 1.341 57.901 56.400 0.267 0.000 0.804 318 E CB -0.149 29.780 29.700 0.382 0.000 0.745 318 E HN 0.436 nan 8.360 nan 0.000 0.458 319 A N 1.097 123.968 122.820 0.085 0.000 1.898 319 A HA -0.199 4.121 4.320 0.001 0.000 0.216 319 A C 2.039 179.751 177.584 0.212 0.000 1.181 319 A CA 1.819 53.727 52.037 -0.215 0.000 0.620 319 A CB -0.710 17.998 19.000 -0.487 0.000 0.819 319 A HN 0.310 nan 8.150 nan 0.000 0.442 320 D N 0.052 120.618 120.400 0.276 0.000 2.092 320 D HA -0.164 4.477 4.640 0.001 0.000 0.193 320 D C 1.338 177.825 176.300 0.311 0.000 0.994 320 D CA 1.609 55.790 54.000 0.301 0.000 0.828 320 D CB -0.208 40.802 40.800 0.350 0.000 0.963 320 D HN 0.353 nan 8.370 nan 0.000 0.450 321 D N -0.866 119.705 120.400 0.285 0.000 2.149 321 D HA -0.169 4.471 4.640 0.001 0.000 0.198 321 D C 1.891 178.369 176.300 0.297 0.000 0.990 321 D CA 0.483 54.632 54.000 0.248 0.000 0.839 321 D CB -0.510 40.424 40.800 0.223 0.000 0.948 321 D HN 0.307 nan 8.370 nan 0.000 0.460 322 F N -0.159 119.944 119.950 0.254 0.000 2.134 322 F HA -0.178 4.350 4.527 0.001 0.000 0.299 322 F C 2.106 177.938 175.800 0.052 0.000 1.097 322 F CA 1.060 59.201 58.000 0.235 0.000 1.264 322 F CB -0.134 38.979 39.000 0.189 0.000 1.001 322 F HN -0.138 nan 8.300 nan 0.000 0.479 323 F N 0.393 120.532 119.950 0.315 0.000 2.075 323 F HA -0.272 4.255 4.527 0.001 0.000 0.297 323 F C 2.853 178.687 175.800 0.056 0.000 1.113 323 F CA 1.973 60.060 58.000 0.145 0.000 1.218 323 F CB -1.088 37.929 39.000 0.029 0.000 0.984 323 F HN 0.013 nan 8.300 nan 0.000 0.472 324 T N -2.714 111.979 114.554 0.231 0.000 2.881 324 T HA -0.189 4.161 4.350 0.001 0.000 0.270 324 T C 2.047 176.746 174.700 -0.002 0.000 1.068 324 T CA 1.157 63.315 62.100 0.095 0.000 1.131 324 T CB -0.916 68.000 68.868 0.081 0.000 0.871 324 T HN 0.325 nan 8.240 nan 0.000 0.479 325 S N 1.576 117.233 115.700 -0.072 0.000 2.442 325 S HA 0.080 4.550 4.470 0.001 0.000 0.236 325 S C 1.725 176.173 174.600 -0.253 0.000 1.007 325 S CA 0.504 58.521 58.200 -0.305 0.000 0.965 325 S CB -0.830 61.894 63.200 -0.794 0.000 0.773 325 S HN 0.620 nan 8.310 nan 0.000 0.504 326 L N 0.736 121.897 121.223 -0.103 0.000 2.628 326 L HA 0.396 4.737 4.340 0.001 0.000 0.229 326 L C 1.778 178.634 176.870 -0.023 0.000 1.137 326 L CA 0.228 55.036 54.840 -0.052 0.000 0.909 326 L CB -0.476 41.602 42.059 0.032 0.000 1.137 326 L HN 0.552 nan 8.230 nan 0.000 0.470 327 G N 0.345 109.131 108.800 -0.024 0.000 2.159 327 G HA2 -0.272 3.688 3.960 0.001 0.000 0.256 327 G HA3 -0.272 3.688 3.960 0.001 0.000 0.256 327 G C 0.300 175.204 174.900 0.007 0.000 0.977 327 G CA 0.046 45.138 45.100 -0.014 0.000 0.652 327 G HN 0.237 nan 8.290 nan 0.000 0.531 328 L N -0.103 121.147 121.223 0.046 0.000 2.479 328 L HA 0.548 4.888 4.340 0.001 0.000 0.249 328 L C 1.429 178.308 176.870 0.014 0.000 1.178 328 L CA -1.024 53.844 54.840 0.048 0.000 0.811 328 L CB 0.367 42.520 42.059 0.156 0.000 1.187 328 L HN 0.049 nan 8.230 nan 0.000 0.480 329 L N 2.370 123.557 121.223 -0.060 0.000 2.416 329 L HA 0.232 4.572 4.340 0.001 0.000 0.272 329 L C -2.034 174.771 176.870 -0.109 0.000 1.161 329 L CA -1.615 53.169 54.840 -0.094 0.000 0.845 329 L CB 0.290 42.256 42.059 -0.154 0.000 1.119 329 L HN 0.337 nan 8.230 nan 0.000 0.464 330 P HA 0.146 nan 4.420 nan 0.000 0.281 330 P C -0.644 176.602 177.300 -0.090 0.000 1.249 330 P CA -0.443 62.646 63.100 -0.019 0.000 0.810 330 P CB 1.387 33.120 31.700 0.054 0.000 1.008 331 V N -0.677 119.149 119.914 -0.148 0.000 2.775 331 V HA 0.389 4.510 4.120 0.001 0.000 0.299 331 V C -2.377 173.702 176.094 -0.024 0.000 1.062 331 V CA -1.953 60.188 62.300 -0.266 0.000 1.063 331 V CB -0.515 30.822 31.823 -0.810 0.000 0.994 331 V HN 0.412 nan 8.190 nan 0.000 0.483 332 P HA 0.336 nan 4.420 nan 0.000 0.274 332 P C -2.250 175.183 177.300 0.221 0.000 1.237 332 P CA -1.658 61.533 63.100 0.152 0.000 0.793 332 P CB -0.032 31.774 31.700 0.176 0.000 0.977 333 P HA -0.232 nan 4.420 nan 0.000 0.216 333 P C 1.426 178.883 177.300 0.263 0.000 1.154 333 P CA 1.528 64.820 63.100 0.320 0.000 0.865 333 P CB -0.054 31.753 31.700 0.179 0.000 0.789 334 E N -1.640 118.637 120.200 0.129 0.000 2.160 334 E HA -0.230 4.120 4.350 0.001 0.000 0.195 334 E C 1.785 178.372 176.600 -0.022 0.000 0.991 334 E CA 0.718 57.130 56.400 0.021 0.000 0.810 334 E CB -0.548 29.121 29.700 -0.051 0.000 0.742 334 E HN 0.168 nan 8.360 nan 0.000 0.466 335 F N -0.309 119.548 119.950 -0.154 0.000 2.126 335 F HA -0.208 4.319 4.527 0.001 0.000 0.299 335 F C 1.427 177.032 175.800 -0.325 0.000 1.096 335 F CA 1.828 59.644 58.000 -0.306 0.000 1.255 335 F CB -0.415 38.304 39.000 -0.469 0.000 0.997 335 F HN 0.085 nan 8.300 nan 0.000 0.479 336 W N 0.761 122.122 121.300 0.101 0.000 2.425 336 W HA -0.088 4.572 4.660 0.001 0.000 0.277 336 W C 2.399 178.851 176.519 -0.112 0.000 1.231 336 W CA 1.001 58.343 57.345 -0.005 0.000 1.248 336 W CB -0.532 28.997 29.460 0.116 0.000 1.117 336 W HN 0.113 nan 8.180 nan 0.000 0.568 337 Q N 0.403 120.252 119.800 0.081 0.000 2.137 337 Q HA -0.051 4.290 4.340 0.001 0.000 0.198 337 Q C 1.687 177.623 176.000 -0.107 0.000 0.960 337 Q CA 1.047 56.849 55.803 -0.002 0.000 0.847 337 Q CB -0.252 28.481 28.738 -0.008 0.000 0.915 337 Q HN 0.310 nan 8.270 nan 0.000 0.448 338 K N 0.078 120.340 120.400 -0.229 0.000 2.354 338 K HA 0.218 4.538 4.320 0.001 0.000 0.194 338 K C 0.409 176.825 176.600 -0.307 0.000 1.038 338 K CA -0.144 55.961 56.287 -0.303 0.000 1.052 338 K CB 0.840 33.050 32.500 -0.483 0.000 0.861 338 K HN -0.090 nan 8.250 nan 0.000 0.535 339 S N 1.166 116.614 115.700 -0.420 0.000 2.589 339 S HA 0.166 4.636 4.470 0.001 0.000 0.265 339 S C -0.024 174.523 174.600 -0.089 0.000 1.342 339 S CA -0.155 57.830 58.200 -0.357 0.000 1.005 339 S CB 0.600 63.264 63.200 -0.893 0.000 0.909 339 S HN 0.186 nan 8.310 nan 0.000 0.555 340 M N 3.367 122.982 119.600 0.025 0.000 2.158 340 M HA 0.311 4.792 4.480 0.001 0.000 0.326 340 M C -0.577 175.677 176.300 -0.077 0.000 1.014 340 M CA -0.258 55.024 55.300 -0.029 0.000 0.961 340 M CB -0.201 32.339 32.600 -0.100 0.000 1.327 340 M HN 0.590 nan 8.290 nan 0.000 0.393 341 L N 2.708 123.876 121.223 -0.092 0.000 2.591 341 L HA 0.165 4.505 4.340 0.001 0.000 0.228 341 L C 0.529 177.456 176.870 0.095 0.000 1.133 341 L CA 0.380 55.178 54.840 -0.070 0.000 0.880 341 L CB -0.367 41.625 42.059 -0.113 0.000 1.033 341 L HN 0.629 nan 8.230 nan 0.000 0.450 342 E N -0.731 119.503 120.200 0.057 0.000 2.423 342 E HA 0.235 4.586 4.350 0.001 0.000 0.280 342 E C -1.146 175.470 176.600 0.027 0.000 1.030 342 E CA -1.002 55.442 56.400 0.073 0.000 0.812 342 E CB 1.505 31.259 29.700 0.091 0.000 1.313 342 E HN -0.141 nan 8.360 nan 0.000 0.456 343 K N 2.031 122.447 120.400 0.026 0.000 2.447 343 K HA 0.151 4.471 4.320 0.001 0.000 0.281 343 K C -1.896 174.702 176.600 -0.004 0.000 1.031 343 K CA -1.201 55.087 56.287 0.001 0.000 1.019 343 K CB 0.234 32.739 32.500 0.008 0.000 0.918 343 K HN 0.312 nan 8.250 nan 0.000 0.476 344 P HA -0.013 nan 4.420 nan 0.000 0.269 344 P C -0.184 177.110 177.300 -0.010 0.000 1.215 344 P CA -0.084 63.003 63.100 -0.021 0.000 0.780 344 P CB 0.892 32.566 31.700 -0.043 0.000 0.898 345 T N -3.589 110.962 114.554 -0.004 0.000 3.085 345 T HA 0.068 4.419 4.350 0.001 0.000 0.264 345 T C 0.482 175.181 174.700 -0.001 0.000 1.019 345 T CA -0.131 61.970 62.100 0.002 0.000 0.910 345 T CB -0.571 68.302 68.868 0.009 0.000 1.059 345 T HN 0.356 nan 8.240 nan 0.000 0.542 346 D N 0.937 121.333 120.400 -0.006 0.000 2.325 346 D HA 0.312 4.952 4.640 0.001 0.000 0.225 346 D C 1.662 177.957 176.300 -0.008 0.000 1.096 346 D CA 0.298 54.294 54.000 -0.006 0.000 0.844 346 D CB -0.525 40.269 40.800 -0.009 0.000 0.925 346 D HN 0.487 nan 8.370 nan 0.000 0.513 347 G N 0.229 109.024 108.800 -0.008 0.000 2.213 347 G HA2 -0.315 3.646 3.960 0.001 0.000 0.236 347 G HA3 -0.315 3.646 3.960 0.001 0.000 0.236 347 G C 0.407 175.298 174.900 -0.015 0.000 0.991 347 G CA -0.240 44.856 45.100 -0.007 0.000 0.629 347 G HN 0.439 nan 8.290 nan 0.000 0.517 348 R N 1.228 121.712 120.500 -0.027 0.000 2.570 348 R HA 0.333 4.674 4.340 0.001 0.000 0.277 348 R C 0.148 176.418 176.300 -0.051 0.000 1.039 348 R CA 0.258 56.331 56.100 -0.044 0.000 1.065 348 R CB 0.347 30.609 30.300 -0.064 0.000 0.964 348 R HN 0.463 nan 8.270 nan 0.000 0.428 349 E N 2.046 122.212 120.200 -0.058 0.000 2.227 349 E HA 0.246 4.597 4.350 0.001 0.000 0.282 349 E C -0.619 175.914 176.600 -0.112 0.000 1.015 349 E CA -0.537 55.827 56.400 -0.060 0.000 0.823 349 E CB 1.407 31.083 29.700 -0.039 0.000 1.081 349 E HN 0.358 nan 8.360 nan 0.000 0.396 350 V N 0.097 119.948 119.914 -0.105 0.000 3.160 350 V HA 0.519 4.639 4.120 0.001 0.000 0.310 350 V C -0.694 175.339 176.094 -0.102 0.000 1.181 350 V CA -0.956 61.249 62.300 -0.158 0.000 1.047 350 V CB 1.898 33.623 31.823 -0.164 0.000 1.068 350 V HN 0.317 nan 8.190 nan 0.000 0.441 351 V N 1.735 121.578 119.914 -0.119 0.000 2.339 351 V HA 0.146 4.266 4.120 0.001 0.000 0.261 351 V C 1.152 177.264 176.094 0.029 0.000 1.058 351 V CA 0.190 62.502 62.300 0.021 0.000 0.897 351 V CB 0.051 31.919 31.823 0.076 0.000 1.052 351 V HN 1.133 nan 8.190 nan 0.000 0.480 352 c N 3.242 121.876 118.600 0.056 0.000 2.450 352 c HA -0.041 4.530 4.570 0.001 0.000 0.279 352 c C 1.593 175.690 174.090 0.011 0.000 1.335 352 c CA 0.156 56.502 56.329 0.028 0.000 1.749 352 c CB -1.039 41.489 42.510 0.029 0.000 1.963 352 c HN 0.923 nan 8.230 nan 0.000 0.501 353 H N 0.771 119.776 119.070 -0.109 0.000 3.192 353 H HA 0.308 4.864 4.556 0.001 0.000 0.295 353 H C 0.645 175.861 175.328 -0.187 0.000 0.943 353 H CA 0.511 56.369 56.048 -0.316 0.000 1.416 353 H CB 0.342 29.463 29.762 -1.068 0.000 1.434 353 H HN 0.490 nan 8.280 nan 0.000 0.565 354 A N 4.456 127.095 122.820 -0.302 0.000 2.561 354 A HA 0.371 4.692 4.320 0.001 0.000 0.234 354 A C -0.065 177.633 177.584 0.190 0.000 1.055 354 A CA 0.641 52.682 52.037 0.006 0.000 0.756 354 A CB -0.113 18.900 19.000 0.022 0.000 0.986 354 A HN 0.910 nan 8.150 nan 0.000 0.505 355 S N 0.161 116.065 115.700 0.340 0.000 2.543 355 S HA 0.729 5.199 4.470 0.001 0.000 0.274 355 S C -0.679 174.254 174.600 0.556 0.000 1.149 355 S CA -0.207 58.232 58.200 0.398 0.000 0.866 355 S CB 1.179 64.590 63.200 0.353 0.000 1.111 355 S HN 2.143 nan 8.310 nan 0.000 0.457 356 A N 1.159 124.240 122.820 0.434 0.000 2.324 356 A HA 0.794 5.114 4.320 0.001 0.000 0.330 356 A C -1.581 176.374 177.584 0.619 0.000 1.165 356 A CA -0.692 51.707 52.037 0.604 0.000 0.813 356 A CB 0.380 19.642 19.000 0.437 0.000 1.197 356 A HN 0.748 nan 8.150 nan 0.000 0.484 357 W N 1.053 122.675 121.300 0.538 0.000 2.600 357 W HA 0.464 5.124 4.660 0.001 0.000 0.325 357 W C -0.660 175.855 176.519 -0.007 0.000 1.034 357 W CA -0.437 57.048 57.345 0.234 0.000 1.226 357 W CB 1.665 31.276 29.460 0.253 0.000 1.379 357 W HN 0.639 nan 8.180 nan 0.000 0.466 358 D N 2.054 122.124 120.400 -0.550 0.000 2.280 358 D HA 0.237 4.877 4.640 0.001 0.000 0.236 358 D C -0.253 175.643 176.300 -0.674 0.000 1.082 358 D CA -0.483 53.026 54.000 -0.817 0.000 0.834 358 D CB 0.850 40.678 40.800 -1.620 0.000 1.100 358 D HN 0.187 nan 8.370 nan 0.000 0.486 359 F N 2.722 122.411 119.950 -0.436 0.000 2.692 359 F HA 0.154 4.681 4.527 0.001 0.000 0.303 359 F C 0.321 176.076 175.800 -0.075 0.000 1.114 359 F CA -0.374 57.507 58.000 -0.199 0.000 1.361 359 F CB -0.621 38.258 39.000 -0.201 0.000 1.063 359 F HN 0.402 nan 8.300 nan 0.000 0.550 360 Y N 0.743 121.074 120.300 0.050 0.000 3.168 360 Y HA -0.329 4.222 4.550 0.001 0.000 0.207 360 Y C 0.734 176.645 175.900 0.018 0.000 1.280 360 Y CA 0.424 58.568 58.100 0.073 0.000 1.235 360 Y CB -2.091 36.460 38.460 0.152 0.000 1.370 360 Y HN 0.386 nan 8.280 nan 0.000 0.537 361 N N -1.331 117.387 118.700 0.031 0.000 2.142 361 N HA 0.264 5.004 4.740 0.001 0.000 0.233 361 N C 0.953 176.439 175.510 -0.041 0.000 1.335 361 N CA 0.234 53.281 53.050 -0.005 0.000 0.837 361 N CB 0.424 38.891 38.487 -0.035 0.000 1.238 361 N HN 0.531 nan 8.380 nan 0.000 0.501 362 G N 0.822 109.611 108.800 -0.019 0.000 2.269 362 G HA2 -0.345 3.616 3.960 0.001 0.000 0.277 362 G HA3 -0.345 3.616 3.960 0.001 0.000 0.277 362 G C 0.753 175.673 174.900 0.034 0.000 1.008 362 G CA 1.234 46.415 45.100 0.134 0.000 0.774 362 G HN 0.435 nan 8.290 nan 0.000 0.511 363 K N -1.125 119.066 120.400 -0.349 0.000 2.603 363 K HA 0.092 4.412 4.320 0.001 0.000 0.205 363 K C -0.187 176.111 176.600 -0.502 0.000 1.500 363 K CA 0.088 56.229 56.287 -0.243 0.000 1.059 363 K CB 0.689 33.113 32.500 -0.126 0.000 1.416 363 K HN 0.274 nan 8.250 nan 0.000 0.562 364 D N 0.581 120.523 120.400 -0.764 0.000 2.427 364 D HA 0.325 4.965 4.640 0.001 0.000 0.226 364 D C -1.314 174.519 176.300 -0.778 0.000 1.076 364 D CA -0.348 53.258 54.000 -0.658 0.000 0.849 364 D CB 0.077 40.536 40.800 -0.568 0.000 1.052 364 D HN -0.180 nan 8.370 nan 0.000 0.515 365 F N 2.650 122.621 119.950 0.036 0.000 2.565 365 F HA 0.591 5.118 4.527 0.001 0.000 0.313 365 F C 0.591 176.517 175.800 0.209 0.000 1.091 365 F CA -0.981 57.149 58.000 0.215 0.000 0.915 365 F CB 1.869 41.032 39.000 0.270 0.000 1.208 365 F HN -0.020 nan 8.300 nan 0.000 0.453 366 R N 2.228 122.991 120.500 0.437 0.000 2.764 366 R HA 0.753 5.094 4.340 0.001 0.000 0.270 366 R C -1.726 174.804 176.300 0.384 0.000 1.014 366 R CA -1.070 55.092 56.100 0.103 0.000 0.904 366 R CB 2.893 32.907 30.300 -0.476 0.000 1.236 366 R HN 0.578 nan 8.270 nan 0.000 0.466 367 I N 1.013 121.671 120.570 0.146 0.000 2.530 367 I HA 0.359 4.530 4.170 0.001 0.000 0.297 367 I C -0.549 175.701 176.117 0.222 0.000 1.011 367 I CA -0.742 60.743 61.300 0.309 0.000 1.107 367 I CB 2.164 40.294 38.000 0.217 0.000 1.285 367 I HN 0.373 nan 8.210 nan 0.000 0.436 368 K N 6.508 127.091 120.400 0.306 0.000 2.572 368 K HA 0.432 4.753 4.320 0.001 0.000 0.244 368 K C -1.320 175.356 176.600 0.127 0.000 0.965 368 K CA -0.438 55.909 56.287 0.099 0.000 0.943 368 K CB 1.187 33.628 32.500 -0.097 0.000 1.154 368 K HN 0.646 nan 8.250 nan 0.000 0.447 369 Q N 3.595 123.449 119.800 0.090 0.000 2.289 369 Q HA 0.287 4.628 4.340 0.001 0.000 0.270 369 Q C -1.348 174.714 176.000 0.103 0.000 1.038 369 Q CA -0.775 55.109 55.803 0.135 0.000 0.812 369 Q CB 1.857 30.771 28.738 0.292 0.000 1.300 369 Q HN 0.751 nan 8.270 nan 0.000 0.427 370 c N 3.665 122.307 118.600 0.069 0.000 2.861 370 c HA 0.236 4.806 4.570 0.001 0.000 0.542 370 c C 0.285 174.429 174.090 0.090 0.000 1.074 370 c CA -0.324 56.040 56.329 0.058 0.000 1.232 370 c CB -1.816 40.709 42.510 0.025 0.000 1.433 370 c HN 0.607 nan 8.230 nan 0.000 0.606 371 T N 2.846 117.494 114.554 0.157 0.000 2.908 371 T HA 0.250 4.601 4.350 0.001 0.000 0.301 371 T C 0.708 175.487 174.700 0.132 0.000 1.019 371 T CA 0.412 62.624 62.100 0.187 0.000 1.152 371 T CB 0.295 69.367 68.868 0.340 0.000 0.966 371 T HN 0.729 nan 8.240 nan 0.000 0.540 372 T N -0.744 113.868 114.554 0.096 0.000 2.918 372 T HA 0.539 4.889 4.350 0.001 0.000 0.286 372 T C -0.100 174.644 174.700 0.074 0.000 1.026 372 T CA -0.980 61.164 62.100 0.074 0.000 1.031 372 T CB 1.192 70.087 68.868 0.046 0.000 1.046 372 T HN 0.255 nan 8.240 nan 0.000 0.479 373 V N 4.244 124.202 119.914 0.074 0.000 2.356 373 V HA 0.452 4.572 4.120 0.001 0.000 0.258 373 V C -0.197 175.903 176.094 0.011 0.000 1.065 373 V CA -0.369 61.973 62.300 0.070 0.000 0.935 373 V CB -1.272 30.615 31.823 0.106 0.000 1.061 373 V HN 1.112 nan 8.190 nan 0.000 0.484 374 N N 3.135 121.820 118.700 -0.024 0.000 3.322 374 N HA 0.204 4.945 4.740 0.001 0.000 0.233 374 N C -0.120 175.336 175.510 -0.090 0.000 1.399 374 N CA -0.942 52.069 53.050 -0.065 0.000 0.894 374 N CB 0.913 39.381 38.487 -0.032 0.000 1.440 374 N HN 0.080 nan 8.380 nan 0.000 0.503 375 L N 0.378 121.534 121.223 -0.112 0.000 2.042 375 L HA 0.010 4.350 4.340 0.001 0.000 0.210 375 L C 2.055 178.878 176.870 -0.079 0.000 1.076 375 L CA 2.136 56.905 54.840 -0.117 0.000 0.749 375 L CB -1.045 40.945 42.059 -0.115 0.000 0.893 375 L HN 0.948 nan 8.230 nan 0.000 0.432 376 E N -1.121 119.048 120.200 -0.051 0.000 2.118 376 E HA -0.273 4.078 4.350 0.001 0.000 0.195 376 E C 1.580 178.162 176.600 -0.029 0.000 0.992 376 E CA 1.551 57.931 56.400 -0.033 0.000 0.804 376 E CB -0.027 29.668 29.700 -0.008 0.000 0.741 376 E HN 0.507 nan 8.360 nan 0.000 0.458 377 D N -0.508 119.878 120.400 -0.023 0.000 2.277 377 D HA -0.073 4.568 4.640 0.001 0.000 0.208 377 D C 1.667 177.950 176.300 -0.027 0.000 0.962 377 D CA 0.159 54.154 54.000 -0.010 0.000 0.865 377 D CB 0.104 40.912 40.800 0.013 0.000 0.939 377 D HN 0.169 nan 8.370 nan 0.000 0.510 378 L N -0.170 121.030 121.223 -0.038 0.000 2.109 378 L HA -0.057 4.283 4.340 0.001 0.000 0.207 378 L C 1.998 178.886 176.870 0.030 0.000 1.086 378 L CA 1.216 56.044 54.840 -0.021 0.000 0.760 378 L CB -0.361 41.679 42.059 -0.031 0.000 0.910 378 L HN -0.101 nan 8.230 nan 0.000 0.437 379 V N -1.244 118.653 119.914 -0.029 0.000 2.343 379 V HA -0.255 3.865 4.120 0.001 0.000 0.247 379 V C 2.491 178.601 176.094 0.026 0.000 1.051 379 V CA 1.625 63.894 62.300 -0.051 0.000 1.036 379 V CB -0.365 31.398 31.823 -0.101 0.000 0.654 379 V HN 0.316 nan 8.190 nan 0.000 0.451 380 V N 0.292 120.215 119.914 0.015 0.000 2.407 380 V HA -0.259 3.861 4.120 0.001 0.000 0.248 380 V C 2.654 178.837 176.094 0.147 0.000 1.055 380 V CA 1.961 64.294 62.300 0.056 0.000 1.049 380 V CB -1.061 30.770 31.823 0.013 0.000 0.662 380 V HN 0.568 nan 8.190 nan 0.000 0.455 381 A N -0.915 121.921 122.820 0.027 0.000 1.898 381 A HA -0.249 4.071 4.320 0.001 0.000 0.216 381 A C 2.010 179.601 177.584 0.012 0.000 1.181 381 A CA 2.020 53.968 52.037 -0.149 0.000 0.620 381 A CB -0.772 17.741 19.000 -0.810 0.000 0.819 381 A HN 0.646 nan 8.150 nan 0.000 0.442 382 H N -1.801 117.252 119.070 -0.027 0.000 2.321 382 H HA -0.160 4.396 4.556 0.001 0.000 0.300 382 H C 2.018 177.388 175.328 0.070 0.000 1.087 382 H CA 2.125 58.173 56.048 0.000 0.000 1.319 382 H CB -0.303 29.373 29.762 -0.142 0.000 1.379 382 H HN 0.821 nan 8.280 nan 0.000 0.501 383 H N 0.531 119.657 119.070 0.093 0.000 2.290 383 H HA -0.118 4.438 4.556 0.001 0.000 0.298 383 H C 1.949 177.300 175.328 0.039 0.000 1.087 383 H CA 1.908 57.974 56.048 0.029 0.000 1.291 383 H CB 0.218 30.003 29.762 0.038 0.000 1.369 383 H HN 0.239 nan 8.280 nan 0.000 0.492 384 E N 0.164 120.522 120.200 0.264 0.000 2.110 384 E HA -0.145 4.205 4.350 0.001 0.000 0.193 384 E C 2.238 178.948 176.600 0.184 0.000 0.988 384 E CA 0.845 57.434 56.400 0.314 0.000 0.804 384 E CB -0.192 29.808 29.700 0.499 0.000 0.745 384 E HN 0.588 nan 8.360 nan 0.000 0.458 385 M N -0.099 119.615 119.600 0.190 0.000 2.279 385 M HA -0.047 4.433 4.480 0.001 0.000 0.264 385 M C 2.194 178.424 176.300 -0.116 0.000 1.062 385 M CA 1.169 56.508 55.300 0.065 0.000 1.099 385 M CB -1.163 31.549 32.600 0.187 0.000 1.394 385 M HN 0.104 nan 8.290 nan 0.000 0.426 386 G N -0.959 107.857 108.800 0.027 0.000 2.422 386 G HA2 -0.194 3.766 3.960 0.001 0.000 0.218 386 G HA3 -0.194 3.766 3.960 0.001 0.000 0.218 386 G C 1.376 176.146 174.900 -0.217 0.000 1.140 386 G CA 0.436 45.528 45.100 -0.014 0.000 0.775 386 G HN 0.418 nan 8.290 nan 0.000 0.545 387 H N 0.503 119.453 119.070 -0.200 0.000 2.357 387 H HA 0.002 4.558 4.556 0.001 0.000 0.301 387 H C 2.715 177.539 175.328 -0.841 0.000 1.082 387 H CA 0.835 56.691 56.048 -0.321 0.000 1.342 387 H CB -0.053 29.540 29.762 -0.283 0.000 1.389 387 H HN 0.200 nan 8.280 nan 0.000 0.511 388 I N 0.860 121.163 120.570 -0.446 0.000 2.179 388 I HA -0.226 3.945 4.170 0.001 0.000 0.242 388 I C 2.573 178.348 176.117 -0.570 0.000 1.088 388 I CA 1.080 62.125 61.300 -0.424 0.000 1.357 388 I CB -1.037 36.807 38.000 -0.259 0.000 1.051 388 I HN 0.201 nan 8.210 nan 0.000 0.409 389 Q N 0.527 119.936 119.800 -0.652 0.000 2.096 389 Q HA -0.241 4.100 4.340 0.001 0.000 0.204 389 Q C 2.313 178.005 176.000 -0.514 0.000 0.982 389 Q CA 1.807 57.194 55.803 -0.693 0.000 0.850 389 Q CB -0.661 27.500 28.738 -0.962 0.000 0.901 389 Q HN 0.548 nan 8.270 nan 0.000 0.422 390 Y N -0.742 119.196 120.300 -0.604 0.000 2.128 390 Y HA -0.261 4.289 4.550 0.001 0.000 0.284 390 Y C 1.778 177.125 175.900 -0.921 0.000 1.154 390 Y CA 1.384 59.064 58.100 -0.700 0.000 1.149 390 Y CB -0.148 37.796 38.460 -0.860 0.000 0.976 390 Y HN 0.185 nan 8.280 nan 0.000 0.505 391 F N -0.691 118.961 119.950 -0.496 0.000 2.120 391 F HA -0.388 4.139 4.527 0.001 0.000 0.300 391 F C 2.358 177.853 175.800 -0.509 0.000 1.095 391 F CA 0.974 58.689 58.000 -0.475 0.000 1.249 391 F CB -0.380 38.512 39.000 -0.179 0.000 0.995 391 F HN 0.114 nan 8.300 nan 0.000 0.480 392 M N -0.697 118.597 119.600 -0.509 0.000 2.254 392 M HA -0.155 4.326 4.480 0.001 0.000 0.265 392 M C 2.104 178.288 176.300 -0.193 0.000 1.066 392 M CA 1.116 56.145 55.300 -0.453 0.000 1.123 392 M CB -0.394 31.879 32.600 -0.546 0.000 1.388 392 M HN 0.122 nan 8.290 nan 0.000 0.425 393 Q N 0.041 119.702 119.800 -0.231 0.000 2.123 393 Q HA -0.115 4.226 4.340 0.001 0.000 0.199 393 Q C 1.352 177.392 176.000 0.067 0.000 0.966 393 Q CA 1.320 57.056 55.803 -0.112 0.000 0.845 393 Q CB -0.138 28.492 28.738 -0.180 0.000 0.907 393 Q HN 0.768 nan 8.270 nan 0.000 0.439 394 Y N -0.311 120.087 120.300 0.163 0.000 2.555 394 Y HA 0.320 4.870 4.550 0.001 0.000 0.259 394 Y C 1.364 177.377 175.900 0.187 0.000 1.179 394 Y CA -0.728 57.483 58.100 0.186 0.000 1.230 394 Y CB -0.698 37.906 38.460 0.241 0.000 1.146 394 Y HN -0.012 nan 8.280 nan 0.000 0.526 395 K N -0.069 120.597 120.400 0.443 0.000 2.362 395 K HA -0.181 4.140 4.320 0.001 0.000 0.202 395 K C -0.103 176.665 176.600 0.280 0.000 1.045 395 K CA 1.879 58.408 56.287 0.404 0.000 0.936 395 K CB -0.189 32.529 32.500 0.365 0.000 0.747 395 K HN 0.179 nan 8.250 nan 0.000 0.467 396 D N 0.793 121.330 120.400 0.227 0.000 2.363 396 D HA 0.177 4.817 4.640 0.001 0.000 0.214 396 D C 0.224 176.604 176.300 0.132 0.000 1.093 396 D CA 0.059 54.150 54.000 0.152 0.000 0.837 396 D CB 0.239 41.109 40.800 0.117 0.000 0.948 396 D HN 0.189 nan 8.370 nan 0.000 0.507 397 L N 1.226 122.546 121.223 0.160 0.000 2.399 397 L HA 0.335 4.675 4.340 0.001 0.000 0.265 397 L C -2.050 174.868 176.870 0.081 0.000 1.089 397 L CA -1.957 52.950 54.840 0.111 0.000 0.802 397 L CB 0.608 42.732 42.059 0.108 0.000 1.180 397 L HN -0.304 nan 8.230 nan 0.000 0.454 398 P HA -0.087 nan 4.420 nan 0.000 0.266 398 P C 0.864 178.184 177.300 0.034 0.000 1.193 398 P CA -0.153 62.960 63.100 0.023 0.000 0.770 398 P CB 0.400 32.112 31.700 0.020 0.000 0.836 399 V N 0.302 120.207 119.914 -0.014 0.000 2.720 399 V HA -0.222 3.899 4.120 0.001 0.000 0.256 399 V C 1.937 178.118 176.094 0.144 0.000 1.082 399 V CA 1.927 64.245 62.300 0.030 0.000 1.101 399 V CB -2.064 29.596 31.823 -0.271 0.000 0.693 399 V HN 0.533 nan 8.190 nan 0.000 0.479 400 A N 0.497 123.400 122.820 0.139 0.000 2.067 400 A HA 0.156 4.477 4.320 0.001 0.000 0.219 400 A C 2.073 179.744 177.584 0.144 0.000 1.158 400 A CA 1.738 53.900 52.037 0.208 0.000 0.661 400 A CB -0.496 18.593 19.000 0.149 0.000 0.801 400 A HN 0.625 nan 8.150 nan 0.000 0.452 401 L N -1.285 119.998 121.223 0.100 0.000 2.640 401 L HA 0.179 4.520 4.340 0.001 0.000 0.230 401 L C 0.545 177.356 176.870 -0.098 0.000 1.123 401 L CA -0.223 54.676 54.840 0.098 0.000 0.900 401 L CB 0.063 42.181 42.059 0.099 0.000 1.146 401 L HN 0.160 nan 8.230 nan 0.000 0.484 402 R N 1.749 122.124 120.500 -0.209 0.000 3.268 402 R HA 0.252 4.592 4.340 0.001 0.000 0.217 402 R C -0.388 175.476 176.300 -0.727 0.000 1.568 402 R CA 0.244 55.868 56.100 -0.793 0.000 1.322 402 R CB 0.076 30.245 30.300 -0.217 0.000 1.280 402 R HN 0.279 nan 8.270 nan 0.000 0.667 403 E N -0.602 119.186 120.200 -0.687 0.000 2.445 403 E HA 0.340 4.690 4.350 0.001 0.000 0.279 403 E C -0.501 176.092 176.600 -0.011 0.000 1.018 403 E CA -0.902 55.395 56.400 -0.172 0.000 0.816 403 E CB 1.799 31.338 29.700 -0.267 0.000 1.356 403 E HN 0.461 nan 8.360 nan 0.000 0.462 404 G N -0.132 108.681 108.800 0.022 0.000 2.606 404 G HA2 0.337 4.297 3.960 0.001 0.000 0.252 404 G HA3 0.337 4.297 3.960 0.001 0.000 0.252 404 G C 0.845 175.794 174.900 0.082 0.000 1.206 404 G CA 0.304 45.289 45.100 -0.192 0.000 0.861 404 G HN 0.555 nan 8.290 nan 0.000 0.561 405 A N 1.146 123.977 122.820 0.019 0.000 1.927 405 A HA -0.070 4.250 4.320 0.001 0.000 0.220 405 A C 1.268 178.841 177.584 -0.019 0.000 1.185 405 A CA 2.283 54.212 52.037 -0.179 0.000 0.639 405 A CB -0.666 17.780 19.000 -0.923 0.000 0.820 405 A HN 1.138 nan 8.150 nan 0.000 0.451 406 N N -4.529 114.110 118.700 -0.101 0.000 2.610 406 N HA 0.438 5.178 4.740 0.001 0.000 0.264 406 N C -2.931 172.555 175.510 -0.041 0.000 1.348 406 N CA -1.863 51.136 53.050 -0.086 0.000 0.819 406 N CB 0.577 38.919 38.487 -0.242 0.000 1.521 406 N HN -0.250 nan 8.380 nan 0.000 0.497 407 P HA -0.018 nan 4.420 nan 0.000 0.218 407 P C 1.291 178.668 177.300 0.128 0.000 1.146 407 P CA 1.950 65.007 63.100 -0.073 0.000 0.813 407 P CB -0.086 31.497 31.700 -0.194 0.000 0.778 408 G N -1.401 107.540 108.800 0.236 0.000 2.422 408 G HA2 -0.252 3.708 3.960 0.001 0.000 0.218 408 G HA3 -0.252 3.708 3.960 0.001 0.000 0.218 408 G C 1.195 176.292 174.900 0.329 0.000 1.146 408 G CA 0.329 45.598 45.100 0.282 0.000 0.769 408 G HN 0.138 nan 8.290 nan 0.000 0.547 409 F N 0.404 120.479 119.950 0.208 0.000 2.134 409 F HA -0.010 4.518 4.527 0.001 0.000 0.299 409 F C 2.580 178.620 175.800 0.400 0.000 1.097 409 F CA 1.147 59.363 58.000 0.359 0.000 1.264 409 F CB -0.668 38.588 39.000 0.426 0.000 1.001 409 F HN 0.160 nan 8.300 nan 0.000 0.479 410 H N 0.574 119.911 119.070 0.445 0.000 2.352 410 H HA -0.123 4.434 4.556 0.001 0.000 0.299 410 H C 1.998 177.459 175.328 0.221 0.000 1.097 410 H CA 1.736 57.988 56.048 0.340 0.000 1.311 410 H CB 0.047 29.906 29.762 0.163 0.000 1.377 410 H HN 0.189 nan 8.280 nan 0.000 0.504 411 E N -0.017 120.388 120.200 0.342 0.000 2.208 411 E HA -0.036 4.314 4.350 0.001 0.000 0.193 411 E C 2.223 178.885 176.600 0.104 0.000 0.988 411 E CA 0.732 57.252 56.400 0.201 0.000 0.828 411 E CB -0.167 29.660 29.700 0.212 0.000 0.763 411 E HN 0.482 nan 8.360 nan 0.000 0.478 412 A N 1.385 124.276 122.820 0.119 0.000 1.878 412 A HA -0.066 4.254 4.320 0.001 0.000 0.213 412 A C 2.102 179.697 177.584 0.018 0.000 1.192 412 A CA 0.404 52.467 52.037 0.043 0.000 0.619 412 A CB -0.278 18.719 19.000 -0.005 0.000 0.837 412 A HN 0.074 nan 8.150 nan 0.000 0.446 413 I N 0.622 121.229 120.570 0.062 0.000 2.132 413 I HA -0.345 3.825 4.170 0.001 0.000 0.238 413 I C 2.668 178.762 176.117 -0.038 0.000 1.012 413 I CA 2.036 63.338 61.300 0.004 0.000 1.288 413 I CB -2.040 35.933 38.000 -0.045 0.000 0.997 413 I HN 0.351 nan 8.210 nan 0.000 0.402 414 G N 0.346 109.104 108.800 -0.070 0.000 2.476 414 G HA2 -0.281 3.680 3.960 0.001 0.000 0.218 414 G HA3 -0.281 3.680 3.960 0.001 0.000 0.218 414 G C 1.254 176.086 174.900 -0.113 0.000 1.164 414 G CA 1.217 46.286 45.100 -0.050 0.000 0.768 414 G HN 0.386 nan 8.290 nan 0.000 0.560 415 D N 0.061 120.388 120.400 -0.122 0.000 2.144 415 D HA -0.075 4.566 4.640 0.001 0.000 0.199 415 D C 2.736 178.820 176.300 -0.360 0.000 0.984 415 D CA 0.609 54.468 54.000 -0.235 0.000 0.834 415 D CB -0.463 40.169 40.800 -0.280 0.000 0.955 415 D HN 0.214 nan 8.370 nan 0.000 0.465 416 V N 0.635 120.377 119.914 -0.286 0.000 2.282 416 V HA -0.254 3.866 4.120 0.001 0.000 0.249 416 V C 2.382 178.262 176.094 -0.358 0.000 1.057 416 V CA 1.278 63.405 62.300 -0.289 0.000 1.032 416 V CB -0.436 31.324 31.823 -0.105 0.000 0.645 416 V HN 0.148 nan 8.190 nan 0.000 0.447 417 L N 0.343 121.310 121.223 -0.428 0.000 2.056 417 L HA -0.056 4.284 4.340 0.001 0.000 0.207 417 L C 2.593 178.970 176.870 -0.822 0.000 1.078 417 L CA 2.136 56.553 54.840 -0.705 0.000 0.749 417 L CB -1.173 40.352 42.059 -0.890 0.000 0.901 417 L HN 0.283 nan 8.230 nan 0.000 0.433 418 A N -0.810 121.621 122.820 -0.649 0.000 2.019 418 A HA -0.150 4.171 4.320 0.001 0.000 0.219 418 A C 2.303 179.569 177.584 -0.530 0.000 1.164 418 A CA 1.334 52.964 52.037 -0.679 0.000 0.644 418 A CB -0.723 18.007 19.000 -0.451 0.000 0.805 418 A HN 0.390 nan 8.150 nan 0.000 0.449 419 L N -0.700 120.212 121.223 -0.520 0.000 2.046 419 L HA -0.185 4.156 4.340 0.001 0.000 0.208 419 L C 2.874 179.564 176.870 -0.300 0.000 1.077 419 L CA 1.582 56.130 54.840 -0.488 0.000 0.747 419 L CB -0.497 41.053 42.059 -0.848 0.000 0.896 419 L HN 0.331 nan 8.230 nan 0.000 0.432 420 S N -0.568 114.952 115.700 -0.299 0.000 2.368 420 S HA -0.138 4.332 4.470 0.001 0.000 0.225 420 S C 1.998 176.456 174.600 -0.237 0.000 1.030 420 S CA 1.165 59.292 58.200 -0.122 0.000 0.999 420 S CB -0.197 63.014 63.200 0.018 0.000 0.844 420 S HN 0.164 nan 8.310 nan 0.000 0.459 421 V N 1.664 121.273 119.914 -0.509 0.000 2.594 421 V HA -0.125 3.995 4.120 0.001 0.000 0.253 421 V C 2.148 178.126 176.094 -0.193 0.000 1.069 421 V CA 1.645 63.647 62.300 -0.496 0.000 1.082 421 V CB -0.726 30.673 31.823 -0.706 0.000 0.680 421 V HN 0.410 nan 8.190 nan 0.000 0.469 422 S N -0.454 115.151 115.700 -0.158 0.000 2.522 422 S HA -0.035 4.435 4.470 0.001 0.000 0.227 422 S C 1.163 175.831 174.600 0.113 0.000 0.986 422 S CA 0.718 58.919 58.200 0.001 0.000 0.929 422 S CB -0.341 62.876 63.200 0.029 0.000 0.769 422 S HN 0.848 nan 8.310 nan 0.000 0.529 423 T N 1.153 115.714 114.554 0.012 0.000 2.932 423 T HA 0.129 4.479 4.350 0.001 0.000 0.312 423 T C -1.972 172.552 174.700 -0.293 0.000 1.071 423 T CA -1.282 60.640 62.100 -0.296 0.000 1.128 423 T CB 0.544 69.303 68.868 -0.181 0.000 0.984 423 T HN -0.078 nan 8.240 nan 0.000 0.549 424 P HA -0.164 nan 4.420 nan 0.000 0.215 424 P C 1.583 178.787 177.300 -0.161 0.000 1.153 424 P CA 1.393 64.321 63.100 -0.288 0.000 0.853 424 P CB 0.002 31.492 31.700 -0.350 0.000 0.788 425 K N -0.732 119.566 120.400 -0.171 0.000 2.002 425 K HA -0.248 4.073 4.320 0.001 0.000 0.209 425 K C 2.113 178.702 176.600 -0.019 0.000 1.048 425 K CA 1.791 58.029 56.287 -0.083 0.000 0.930 425 K CB -1.430 31.025 32.500 -0.074 0.000 0.714 425 K HN 0.130 nan 8.250 nan 0.000 0.438 426 H N 0.807 119.831 119.070 -0.075 0.000 2.387 426 H HA 0.049 4.605 4.556 0.001 0.000 0.299 426 H C 1.995 177.284 175.328 -0.064 0.000 1.090 426 H CA 1.698 57.706 56.048 -0.067 0.000 1.332 426 H CB 0.006 29.745 29.762 -0.037 0.000 1.386 426 H HN 0.128 nan 8.280 nan 0.000 0.516 427 L N -0.545 120.697 121.223 0.031 0.000 2.141 427 L HA -0.184 4.156 4.340 0.001 0.000 0.209 427 L C 2.562 179.408 176.870 -0.040 0.000 1.094 427 L CA 1.353 56.184 54.840 -0.014 0.000 0.763 427 L CB -0.528 41.512 42.059 -0.033 0.000 0.908 427 L HN 0.532 nan 8.230 nan 0.000 0.437 428 H N -0.110 118.891 119.070 -0.115 0.000 2.428 428 H HA -0.119 4.438 4.556 0.001 0.000 0.296 428 H C 2.297 177.554 175.328 -0.119 0.000 1.062 428 H CA 1.574 57.559 56.048 -0.106 0.000 1.350 428 H CB 0.339 30.036 29.762 -0.108 0.000 1.403 428 H HN 0.379 nan 8.280 nan 0.000 0.533 429 S N 0.472 116.057 115.700 -0.191 0.000 2.423 429 S HA -0.054 4.416 4.470 0.001 0.000 0.231 429 S C 2.073 176.512 174.600 -0.268 0.000 1.014 429 S CA 0.653 58.680 58.200 -0.288 0.000 0.965 429 S CB -0.587 62.387 63.200 -0.377 0.000 0.785 429 S HN 0.433 nan 8.310 nan 0.000 0.495 430 L N 0.936 122.040 121.223 -0.199 0.000 2.591 430 L HA 0.233 4.574 4.340 0.001 0.000 0.228 430 L C 1.051 177.934 176.870 0.023 0.000 1.133 430 L CA 0.129 54.956 54.840 -0.022 0.000 0.880 430 L CB -0.696 41.415 42.059 0.087 0.000 1.033 430 L HN 0.293 nan 8.230 nan 0.000 0.450 431 N N -0.723 117.903 118.700 -0.124 0.000 2.936 431 N HA -0.229 4.511 4.740 0.001 0.000 0.236 431 N C 0.877 176.355 175.510 -0.054 0.000 0.930 431 N CA 0.931 53.911 53.050 -0.117 0.000 0.966 431 N CB -1.219 37.251 38.487 -0.029 0.000 1.090 431 N HN 0.264 nan 8.380 nan 0.000 0.592 432 L N -0.603 120.583 121.223 -0.061 0.000 2.376 432 L HA 0.074 4.414 4.340 0.001 0.000 0.219 432 L C 0.945 177.780 176.870 -0.059 0.000 1.133 432 L CA 0.819 55.603 54.840 -0.094 0.000 0.816 432 L CB -0.047 41.897 42.059 -0.191 0.000 0.933 432 L HN 0.134 nan 8.230 nan 0.000 0.449 433 L N -1.583 119.624 121.223 -0.027 0.000 2.354 433 L HA 0.383 4.724 4.340 0.001 0.000 0.264 433 L C 0.074 177.003 176.870 0.099 0.000 1.008 433 L CA -0.397 54.456 54.840 0.021 0.000 0.819 433 L CB 2.473 44.546 42.059 0.023 0.000 1.339 433 L HN -0.100 nan 8.230 nan 0.000 0.420 438 G N -1.036 107.530 108.800 -0.390 0.000 2.624 438 G HA2 0.046 4.007 3.960 0.001 0.000 0.190 438 G HA3 0.046 4.007 3.960 0.001 0.000 0.190 438 G C 0.578 175.508 174.900 0.050 0.000 1.008 438 G CA 1.036 46.066 45.100 -0.117 0.000 0.731 438 G HN 1.373 nan 8.290 nan 0.000 0.478 439 S N 0.448 116.321 115.700 0.288 0.000 2.661 439 S HA 0.458 4.929 4.470 0.001 0.000 0.265 439 S C 0.865 175.494 174.600 0.048 0.000 1.225 439 S CA -0.024 58.266 58.200 0.150 0.000 0.986 439 S CB 0.976 64.228 63.200 0.086 0.000 1.008 439 S HN 0.182 nan 8.310 nan 0.000 0.565 440 D N 0.991 121.352 120.400 -0.065 0.000 2.162 440 D HA -0.023 4.617 4.640 0.001 0.000 0.203 440 D C 1.724 177.906 176.300 -0.197 0.000 0.967 440 D CA 0.933 54.883 54.000 -0.084 0.000 0.840 440 D CB -0.149 40.599 40.800 -0.088 0.000 0.972 440 D HN 0.552 nan 8.370 nan 0.000 0.482 441 E N 0.004 119.937 120.200 -0.445 0.000 2.077 441 E HA -0.168 4.182 4.350 0.001 0.000 0.193 441 E C 1.983 178.455 176.600 -0.213 0.000 0.989 441 E CA 0.719 56.661 56.400 -0.762 0.000 0.800 441 E CB -0.082 28.918 29.700 -1.167 0.000 0.746 441 E HN 0.446 nan 8.360 nan 0.000 0.452 442 H N 0.563 119.586 119.070 -0.078 0.000 2.353 442 H HA -0.114 4.442 4.556 0.001 0.000 0.300 442 H C 1.760 177.131 175.328 0.072 0.000 1.090 442 H CA 1.536 57.598 56.048 0.022 0.000 1.327 442 H CB -0.140 29.617 29.762 -0.007 0.000 1.383 442 H HN 0.169 nan 8.280 nan 0.000 0.508 443 D N 0.343 120.846 120.400 0.172 0.000 2.097 443 D HA -0.115 4.525 4.640 0.001 0.000 0.195 443 D C 2.187 178.548 176.300 0.101 0.000 0.989 443 D CA 0.491 54.595 54.000 0.173 0.000 0.827 443 D CB -0.030 40.857 40.800 0.146 0.000 0.966 443 D HN 0.112 nan 8.370 nan 0.000 0.456 444 I N 0.918 121.493 120.570 0.007 0.000 2.315 444 I HA -0.183 3.987 4.170 0.001 0.000 0.248 444 I C 1.818 177.901 176.117 -0.058 0.000 1.117 444 I CA 0.934 62.164 61.300 -0.117 0.000 1.404 444 I CB -1.217 36.615 38.000 -0.280 0.000 1.071 444 I HN 0.080 nan 8.210 nan 0.000 0.419 445 N N 0.827 119.585 118.700 0.097 0.000 2.120 445 N HA -0.224 4.516 4.740 0.001 0.000 0.188 445 N C 1.806 177.470 175.510 0.256 0.000 1.024 445 N CA 1.142 54.326 53.050 0.223 0.000 0.852 445 N CB -0.662 38.018 38.487 0.321 0.000 1.003 445 N HN 0.309 nan 8.380 nan 0.000 0.424 446 F N 1.551 121.544 119.950 0.072 0.000 2.113 446 F HA 0.017 4.544 4.527 0.001 0.000 0.297 446 F C 2.023 177.854 175.800 0.051 0.000 1.103 446 F CA 0.933 58.953 58.000 0.034 0.000 1.248 446 F CB -0.563 38.458 39.000 0.035 0.000 0.999 446 F HN -0.063 nan 8.300 nan 0.000 0.475 447 L N -0.410 120.687 121.223 -0.212 0.000 2.042 447 L HA -0.263 4.077 4.340 0.001 0.000 0.210 447 L C 2.530 179.400 176.870 -0.001 0.000 1.076 447 L CA 1.671 56.362 54.840 -0.248 0.000 0.749 447 L CB -0.648 41.284 42.059 -0.210 0.000 0.893 447 L HN 0.325 nan 8.230 nan 0.000 0.432 448 M N 0.387 120.001 119.600 0.022 0.000 2.086 448 M HA -0.223 4.257 4.480 0.001 0.000 0.261 448 M C 2.175 178.577 176.300 0.170 0.000 1.067 448 M CA 1.888 57.252 55.300 0.107 0.000 1.116 448 M CB -0.323 32.343 32.600 0.109 0.000 1.348 448 M HN -0.077 nan 8.290 nan 0.000 0.407 449 K N -0.182 120.302 120.400 0.140 0.000 2.044 449 K HA -0.158 4.162 4.320 0.001 0.000 0.210 449 K C 1.782 178.389 176.600 0.011 0.000 1.049 449 K CA 2.046 58.352 56.287 0.032 0.000 0.927 449 K CB -0.261 32.098 32.500 -0.235 0.000 0.713 449 K HN 0.324 nan 8.250 nan 0.000 0.443 450 M N 0.172 119.728 119.600 -0.073 0.000 2.086 450 M HA -0.059 4.421 4.480 0.001 0.000 0.261 450 M C 2.364 178.769 176.300 0.175 0.000 1.067 450 M CA 1.917 57.230 55.300 0.022 0.000 1.116 450 M CB -1.356 31.229 32.600 -0.025 0.000 1.348 450 M HN 0.341 nan 8.290 nan 0.000 0.407 451 A N 0.318 123.255 122.820 0.194 0.000 1.902 451 A HA -0.119 4.201 4.320 0.001 0.000 0.217 451 A C 2.287 179.828 177.584 -0.072 0.000 1.181 451 A CA 1.227 53.182 52.037 -0.138 0.000 0.623 451 A CB -1.024 17.849 19.000 -0.212 0.000 0.818 451 A HN 0.484 nan 8.150 nan 0.000 0.443 452 L N -0.781 120.484 121.223 0.069 0.000 2.263 452 L HA -0.239 4.102 4.340 0.001 0.000 0.216 452 L C 1.831 178.743 176.870 0.069 0.000 1.111 452 L CA 1.471 56.397 54.840 0.143 0.000 0.773 452 L CB -0.401 41.834 42.059 0.292 0.000 0.906 452 L HN 0.350 nan 8.230 nan 0.000 0.439 453 D N -1.176 119.268 120.400 0.073 0.000 2.652 453 D HA -0.047 4.594 4.640 0.001 0.000 0.261 453 D C 2.208 178.615 176.300 0.179 0.000 1.024 453 D CA 0.577 54.641 54.000 0.107 0.000 0.958 453 D CB 0.154 41.010 40.800 0.093 0.000 1.113 453 D HN -0.059 nan 8.370 nan 0.000 0.471 454 K N 0.760 121.254 120.400 0.157 0.000 2.025 454 K HA 0.004 4.324 4.320 0.001 0.000 0.207 454 K C 2.036 178.726 176.600 0.149 0.000 1.049 454 K CA 0.586 57.027 56.287 0.257 0.000 0.933 454 K CB -0.217 32.421 32.500 0.230 0.000 0.714 454 K HN 0.196 nan 8.250 nan 0.000 0.438 455 I N 1.008 121.483 120.570 -0.158 0.000 2.277 455 I HA -0.097 4.074 4.170 0.001 0.000 0.243 455 I C 2.366 178.424 176.117 -0.099 0.000 1.094 455 I CA 0.904 62.079 61.300 -0.208 0.000 1.393 455 I CB -1.414 36.360 38.000 -0.377 0.000 1.078 455 I HN -0.021 nan 8.210 nan 0.000 0.417 456 A N 0.386 123.069 122.820 -0.229 0.000 1.978 456 A HA -0.266 4.055 4.320 0.001 0.000 0.220 456 A C 2.234 179.673 177.584 -0.242 0.000 1.170 456 A CA 1.371 53.116 52.037 -0.485 0.000 0.636 456 A CB -1.084 17.041 19.000 -1.458 0.000 0.810 456 A HN 0.391 nan 8.150 nan 0.000 0.448 457 F N 0.279 120.113 119.950 -0.193 0.000 2.407 457 F HA -0.075 4.452 4.527 0.001 0.000 0.299 457 F C 1.846 177.608 175.800 -0.064 0.000 1.097 457 F CA 0.512 58.436 58.000 -0.127 0.000 1.422 457 F CB 0.036 38.876 39.000 -0.267 0.000 1.067 457 F HN 0.115 nan 8.300 nan 0.000 0.539 458 I N 2.150 122.720 120.570 -0.000 0.000 2.127 458 I HA -0.215 3.956 4.170 0.001 0.000 0.241 458 I C -0.231 175.952 176.117 0.110 0.000 1.075 458 I CA 1.803 63.136 61.300 0.055 0.000 1.334 458 I CB -2.692 35.311 38.000 0.005 0.000 1.040 458 I HN 0.099 nan 8.210 nan 0.000 0.405 459 P HA -0.192 nan 4.420 nan 0.000 0.219 459 P C 2.023 179.238 177.300 -0.142 0.000 1.150 459 P CA 1.360 64.475 63.100 0.026 0.000 0.814 459 P CB -0.281 31.348 31.700 -0.119 0.000 0.787 460 F N 2.668 122.417 119.950 -0.336 0.000 2.084 460 F HA -0.189 4.339 4.527 0.001 0.000 0.296 460 F C 2.444 177.934 175.800 -0.517 0.000 1.111 460 F CA 2.347 60.098 58.000 -0.416 0.000 1.224 460 F CB -0.850 37.905 39.000 -0.408 0.000 0.991 460 F HN -0.048 nan 8.300 nan 0.000 0.471 461 S N -0.702 114.670 115.700 -0.547 0.000 2.399 461 S HA -0.303 4.167 4.470 0.001 0.000 0.231 461 S C 2.026 176.506 174.600 -0.200 0.000 1.022 461 S CA 1.256 59.264 58.200 -0.321 0.000 0.983 461 S CB -1.534 61.475 63.200 -0.319 0.000 0.803 461 S HN 0.598 nan 8.310 nan 0.000 0.480 462 Y N 2.049 122.095 120.300 -0.423 0.000 2.200 462 Y HA 0.092 4.643 4.550 0.001 0.000 0.290 462 Y C 2.159 177.516 175.900 -0.905 0.000 1.137 462 Y CA 1.016 58.623 58.100 -0.821 0.000 1.163 462 Y CB -0.590 37.292 38.460 -0.962 0.000 0.988 462 Y HN 0.330 nan 8.280 nan 0.000 0.518 463 L N -0.990 119.718 121.223 -0.858 0.000 1.970 463 L HA -0.248 4.093 4.340 0.001 0.000 0.212 463 L C 2.241 178.640 176.870 -0.786 0.000 1.071 463 L CA 1.921 56.234 54.840 -0.877 0.000 0.751 463 L CB -0.755 40.824 42.059 -0.800 0.000 0.889 463 L HN 0.112 nan 8.230 nan 0.000 0.432 464 V N 0.183 119.594 119.914 -0.837 0.000 2.250 464 V HA -0.389 3.731 4.120 0.001 0.000 0.253 464 V C 2.048 177.941 176.094 -0.335 0.000 1.065 464 V CA 2.416 64.374 62.300 -0.570 0.000 1.039 464 V CB -0.801 30.534 31.823 -0.813 0.000 0.647 464 V HN 0.543 nan 8.190 nan 0.000 0.446 465 D N -1.440 118.644 120.400 -0.528 0.000 2.323 465 D HA -0.046 4.595 4.640 0.001 0.000 0.209 465 D C 2.362 177.967 176.300 -1.158 0.000 0.973 465 D CA 0.302 53.850 54.000 -0.754 0.000 0.874 465 D CB -0.123 40.161 40.800 -0.861 0.000 0.930 465 D HN 0.390 nan 8.370 nan 0.000 0.521 466 Q N -0.782 118.428 119.800 -0.984 0.000 2.124 466 Q HA -0.149 4.191 4.340 0.001 0.000 0.202 466 Q C 1.966 177.789 176.000 -0.294 0.000 0.977 466 Q CA 0.830 56.213 55.803 -0.701 0.000 0.850 466 Q CB -0.401 27.905 28.738 -0.720 0.000 0.901 466 Q HN 0.488 nan 8.270 nan 0.000 0.429 467 W N 1.514 122.582 121.300 -0.387 0.000 2.407 467 W HA -0.069 4.591 4.660 0.001 0.000 0.305 467 W C 2.169 178.582 176.519 -0.176 0.000 1.196 467 W CA 1.157 58.392 57.345 -0.182 0.000 1.311 467 W CB -0.033 29.392 29.460 -0.057 0.000 1.135 467 W HN -0.025 nan 8.180 nan 0.000 0.514 468 R N -0.785 119.619 120.500 -0.161 0.000 2.092 468 R HA -0.169 4.172 4.340 0.001 0.000 0.231 468 R C 1.998 178.013 176.300 -0.476 0.000 1.119 468 R CA 1.633 57.434 56.100 -0.499 0.000 0.970 468 R CB -0.872 29.281 30.300 -0.245 0.000 0.864 468 R HN 0.225 nan 8.270 nan 0.000 0.440 469 W N 1.054 122.205 121.300 -0.249 0.000 2.363 469 W HA -0.076 4.585 4.660 0.001 0.000 0.296 469 W C 1.974 178.393 176.519 -0.167 0.000 1.212 469 W CA 0.696 57.969 57.345 -0.120 0.000 1.260 469 W CB -0.564 28.857 29.460 -0.065 0.000 1.131 469 W HN 0.093 nan 8.180 nan 0.000 0.530 470 R N -0.506 119.980 120.500 -0.023 0.000 2.148 470 R HA -0.036 4.304 4.340 0.001 0.000 0.223 470 R C 2.014 178.194 176.300 -0.200 0.000 1.088 470 R CA 1.068 57.113 56.100 -0.091 0.000 0.985 470 R CB -0.724 29.517 30.300 -0.098 0.000 0.880 470 R HN 0.034 nan 8.270 nan 0.000 0.451 471 V N 0.489 120.143 119.914 -0.434 0.000 2.323 471 V HA -0.184 3.937 4.120 0.001 0.000 0.244 471 V C 1.945 177.926 176.094 -0.189 0.000 1.041 471 V CA 1.691 63.729 62.300 -0.437 0.000 1.025 471 V CB -0.455 30.858 31.823 -0.850 0.000 0.656 471 V HN 0.216 nan 8.190 nan 0.000 0.451 472 F N 1.380 121.214 119.950 -0.192 0.000 2.134 472 F HA -0.194 4.334 4.527 0.001 0.000 0.299 472 F C 2.331 178.038 175.800 -0.155 0.000 1.097 472 F CA 1.223 59.099 58.000 -0.206 0.000 1.264 472 F CB -0.322 38.517 39.000 -0.268 0.000 1.001 472 F HN 0.393 nan 8.300 nan 0.000 0.479 473 D N -0.404 120.040 120.400 0.074 0.000 2.363 473 D HA 0.045 4.686 4.640 0.001 0.000 0.226 473 D C 1.692 177.990 176.300 -0.003 0.000 1.020 473 D CA 1.054 55.062 54.000 0.014 0.000 0.892 473 D CB -0.060 40.744 40.800 0.007 0.000 0.900 473 D HN 0.379 nan 8.370 nan 0.000 0.531 474 G N -0.074 108.723 108.800 -0.005 0.000 2.195 474 G HA2 -0.352 3.609 3.960 0.001 0.000 0.246 474 G HA3 -0.352 3.609 3.960 0.001 0.000 0.246 474 G C 1.188 176.081 174.900 -0.012 0.000 0.984 474 G CA 0.667 45.762 45.100 -0.009 0.000 0.633 474 G HN 0.598 nan 8.290 nan 0.000 0.525 475 S N -0.568 115.123 115.700 -0.016 0.000 2.515 475 S HA 0.387 4.857 4.470 0.001 0.000 0.231 475 S C 0.860 175.456 174.600 -0.007 0.000 0.987 475 S CA 0.720 58.915 58.200 -0.009 0.000 0.936 475 S CB 0.250 63.449 63.200 -0.002 0.000 0.766 475 S HN 0.568 nan 8.310 nan 0.000 0.528 476 I N 3.067 123.623 120.570 -0.023 0.000 2.411 476 I HA 0.262 4.433 4.170 0.001 0.000 0.284 476 I C 0.203 176.347 176.117 0.045 0.000 1.012 476 I CA -0.547 60.758 61.300 0.008 0.000 1.119 476 I CB 1.849 39.809 38.000 -0.065 0.000 1.261 476 I HN 0.115 nan 8.210 nan 0.000 0.448 477 T N 1.538 116.096 114.554 0.007 0.000 2.902 477 T HA 0.279 4.629 4.350 0.001 0.000 0.280 477 T C 1.196 175.691 174.700 -0.341 0.000 0.992 477 T CA -0.825 61.225 62.100 -0.084 0.000 1.015 477 T CB 1.406 70.222 68.868 -0.086 0.000 1.044 477 T HN 0.713 nan 8.240 nan 0.000 0.520 478 K N 0.576 120.553 120.400 -0.705 0.000 2.160 478 K HA -0.216 4.105 4.320 0.001 0.000 0.206 478 K C 1.501 177.651 176.600 -0.750 0.000 1.047 478 K CA 1.747 57.115 56.287 -1.531 0.000 0.930 478 K CB -0.375 31.618 32.500 -0.845 0.000 0.720 478 K HN 0.588 nan 8.250 nan 0.000 0.450 479 E N 0.970 120.967 120.200 -0.339 0.000 2.265 479 E HA -0.068 4.282 4.350 0.001 0.000 0.196 479 E C 0.995 177.569 176.600 -0.043 0.000 0.996 479 E CA 0.919 57.232 56.400 -0.146 0.000 0.832 479 E CB -0.011 29.640 29.700 -0.082 0.000 0.756 479 E HN 0.410 nan 8.360 nan 0.000 0.491 480 N N -0.918 117.771 118.700 -0.018 0.000 2.187 480 N HA 0.077 4.817 4.740 0.001 0.000 0.212 480 N C 0.675 176.396 175.510 0.352 0.000 1.152 480 N CA -0.053 53.083 53.050 0.143 0.000 0.872 480 N CB 0.216 38.775 38.487 0.121 0.000 1.025 480 N HN 0.294 nan 8.380 nan 0.000 0.514 481 Y N 1.774 122.260 120.300 0.309 0.000 2.002 481 Y HA -0.343 4.208 4.550 0.001 0.000 0.268 481 Y C 2.322 178.589 175.900 0.612 0.000 1.177 481 Y CA 1.213 59.653 58.100 0.567 0.000 1.111 481 Y CB -0.171 38.645 38.460 0.593 0.000 0.952 481 Y HN 0.106 nan 8.280 nan 0.000 0.491 482 N N -0.220 118.851 118.700 0.618 0.000 2.142 482 N HA -0.170 4.571 4.740 0.001 0.000 0.186 482 N C 1.613 177.439 175.510 0.527 0.000 1.023 482 N CA 1.440 54.774 53.050 0.475 0.000 0.852 482 N CB -0.183 38.545 38.487 0.400 0.000 0.998 482 N HN 0.299 nan 8.380 nan 0.000 0.424 483 Q N 0.201 120.259 119.800 0.430 0.000 2.084 483 Q HA -0.061 4.279 4.340 0.001 0.000 0.202 483 Q C 1.666 177.898 176.000 0.387 0.000 0.978 483 Q CA 1.063 57.093 55.803 0.378 0.000 0.844 483 Q CB -0.081 28.812 28.738 0.258 0.000 0.898 483 Q HN 0.304 nan 8.270 nan 0.000 0.426 484 E N -0.309 120.140 120.200 0.416 0.000 2.150 484 E HA -0.157 4.193 4.350 0.001 0.000 0.193 484 E C 1.453 178.300 176.600 0.411 0.000 0.985 484 E CA 0.557 57.197 56.400 0.400 0.000 0.814 484 E CB -0.410 29.546 29.700 0.426 0.000 0.752 484 E HN 0.532 nan 8.360 nan 0.000 0.466 485 W N 0.021 121.419 121.300 0.163 0.000 2.358 485 W HA -0.212 4.448 4.660 0.001 0.000 0.303 485 W C 1.281 177.585 176.519 -0.359 0.000 1.208 485 W CA 1.017 58.144 57.345 -0.363 0.000 1.274 485 W CB -0.599 28.377 29.460 -0.806 0.000 1.138 485 W HN 0.124 nan 8.180 nan 0.000 0.515 486 W N 0.762 122.138 121.300 0.127 0.000 2.518 486 W HA -0.119 4.541 4.660 0.001 0.000 0.273 486 W C 2.824 179.348 176.519 0.009 0.000 1.247 486 W CA 1.468 58.838 57.345 0.041 0.000 1.288 486 W CB -0.561 28.989 29.460 0.150 0.000 1.107 486 W HN -0.270 nan 8.180 nan 0.000 0.586 487 S N 0.534 116.368 115.700 0.224 0.000 2.406 487 S HA -0.104 4.367 4.470 0.001 0.000 0.228 487 S C 1.762 176.376 174.600 0.025 0.000 1.020 487 S CA 0.875 59.162 58.200 0.145 0.000 0.965 487 S CB -0.452 62.830 63.200 0.136 0.000 0.798 487 S HN 0.198 nan 8.310 nan 0.000 0.488 488 L N 0.921 122.111 121.223 -0.055 0.000 2.072 488 L HA -0.001 4.339 4.340 0.001 0.000 0.205 488 L C 2.751 179.513 176.870 -0.180 0.000 1.079 488 L CA 0.794 55.566 54.840 -0.112 0.000 0.752 488 L CB -0.388 41.596 42.059 -0.126 0.000 0.906 488 L HN 0.160 nan 8.230 nan 0.000 0.436 489 R N 0.087 120.359 120.500 -0.379 0.000 2.091 489 R HA -0.193 4.148 4.340 0.001 0.000 0.238 489 R C 2.181 178.453 176.300 -0.046 0.000 1.136 489 R CA 1.448 57.345 56.100 -0.340 0.000 0.959 489 R CB -0.900 29.059 30.300 -0.569 0.000 0.856 489 R HN 0.263 nan 8.270 nan 0.000 0.437 490 L N 1.472 122.723 121.223 0.047 0.000 2.023 490 L HA -0.105 4.235 4.340 0.001 0.000 0.205 490 L C 2.445 179.373 176.870 0.097 0.000 1.073 490 L CA 1.895 56.764 54.840 0.049 0.000 0.745 490 L CB -0.541 41.618 42.059 0.167 0.000 0.900 490 L HN 0.009 nan 8.230 nan 0.000 0.435 491 K N -1.564 118.872 120.400 0.061 0.000 2.032 491 K HA -0.242 4.079 4.320 0.001 0.000 0.209 491 K C 2.032 178.664 176.600 0.053 0.000 1.048 491 K CA 2.374 58.658 56.287 -0.004 0.000 0.927 491 K CB -0.417 31.860 32.500 -0.373 0.000 0.712 491 K HN 0.473 nan 8.250 nan 0.000 0.441 492 Y N -0.272 120.142 120.300 0.189 0.000 2.343 492 Y HA 0.052 4.602 4.550 0.001 0.000 0.294 492 Y C 2.305 178.367 175.900 0.269 0.000 1.122 492 Y CA 0.512 58.741 58.100 0.216 0.000 1.173 492 Y CB 0.368 38.792 38.460 -0.060 0.000 1.077 492 Y HN 0.091 nan 8.280 nan 0.000 0.542 493 Q N -0.698 119.249 119.800 0.244 0.000 2.396 493 Q HA 0.166 4.506 4.340 0.001 0.000 0.209 493 Q C 1.010 177.024 176.000 0.024 0.000 0.906 493 Q CA 0.519 56.468 55.803 0.244 0.000 0.927 493 Q CB 0.750 29.623 28.738 0.224 0.000 1.069 493 Q HN 0.569 nan 8.270 nan 0.000 0.523 494 G N 1.646 110.060 108.800 -0.644 0.000 2.256 494 G HA2 -0.249 3.712 3.960 0.001 0.000 0.272 494 G HA3 -0.249 3.712 3.960 0.001 0.000 0.272 494 G C -0.307 174.318 174.900 -0.459 0.000 1.076 494 G CA 0.100 44.130 45.100 -1.784 0.000 0.882 494 G HN 0.173 nan 8.290 nan 0.000 0.497 495 L N -0.881 120.269 121.223 -0.122 0.000 2.333 495 L HA 0.826 5.167 4.340 0.001 0.000 0.269 495 L C 0.907 177.915 176.870 0.230 0.000 1.010 495 L CA -0.985 53.931 54.840 0.127 0.000 0.818 495 L CB 2.178 44.391 42.059 0.257 0.000 1.306 495 L HN 0.563 nan 8.230 nan 0.000 0.430 496 C N -0.456 118.975 119.300 0.218 0.000 2.898 496 C HA 0.743 5.203 4.460 0.001 0.000 0.304 496 C C -2.779 172.113 174.990 -0.164 0.000 1.237 496 C CA -2.394 56.679 59.018 0.092 0.000 1.529 496 C CB 1.959 29.741 27.740 0.070 0.000 2.021 496 C HN 0.464 nan 8.230 nan 0.000 0.474 497 P HA 0.279 nan 4.420 nan 0.000 0.276 497 P C -2.059 174.868 177.300 -0.622 0.000 1.230 497 P CA -0.959 61.623 63.100 -0.863 0.000 0.776 497 P CB 0.733 31.738 31.700 -1.158 0.000 0.888 498 P HA -0.049 nan 4.420 nan 0.000 0.225 498 P C 0.343 177.384 177.300 -0.431 0.000 1.156 498 P CA 1.023 63.743 63.100 -0.635 0.000 0.787 498 P CB 0.230 31.226 31.700 -1.173 0.000 0.802 499 V N -5.116 114.567 119.914 -0.386 0.000 2.841 499 V HA 0.638 4.758 4.120 0.001 0.000 0.310 499 V C -3.141 172.835 176.094 -0.197 0.000 1.090 499 V CA -3.313 58.856 62.300 -0.217 0.000 0.930 499 V CB 1.426 33.180 31.823 -0.115 0.000 1.014 499 V HN -0.317 nan 8.190 nan 0.000 0.425 500 P HA 0.276 nan 4.420 nan 0.000 0.267 500 P C -0.787 176.453 177.300 -0.100 0.000 1.200 500 P CA 0.033 63.042 63.100 -0.150 0.000 0.772 500 P CB 0.320 31.955 31.700 -0.109 0.000 0.855 501 R N 1.113 121.555 120.500 -0.098 0.000 2.536 501 R HA 0.628 4.969 4.340 0.001 0.000 0.279 501 R C 0.391 176.696 176.300 0.008 0.000 1.001 501 R CA -0.362 55.726 56.100 -0.021 0.000 1.027 501 R CB 0.195 30.504 30.300 0.015 0.000 1.096 501 R HN 0.509 nan 8.270 nan 0.000 0.502 502 T N -2.549 112.021 114.554 0.026 0.000 2.888 502 T HA 0.303 4.653 4.350 0.001 0.000 0.288 502 T C -0.017 174.708 174.700 0.042 0.000 1.063 502 T CA -0.951 61.164 62.100 0.025 0.000 1.010 502 T CB 1.447 70.319 68.868 0.007 0.000 1.214 502 T HN 0.427 nan 8.240 nan 0.000 0.533 503 Q N -0.312 119.507 119.800 0.033 0.000 2.315 503 Q HA 0.350 4.690 4.340 0.001 0.000 0.289 503 Q C 1.355 177.370 176.000 0.026 0.000 1.044 503 Q CA 1.601 57.423 55.803 0.033 0.000 0.920 503 Q CB -0.291 28.456 28.738 0.015 0.000 1.214 503 Q HN 1.284 nan 8.270 nan 0.000 0.392 504 G N 3.269 112.089 108.800 0.034 0.000 2.234 504 G HA2 -0.194 3.766 3.960 0.001 0.000 0.235 504 G HA3 -0.194 3.766 3.960 0.001 0.000 0.235 504 G C -0.445 174.485 174.900 0.050 0.000 0.997 504 G CA 0.028 45.141 45.100 0.022 0.000 0.623 504 G HN 0.684 nan 8.290 nan 0.000 0.514 505 D N -0.156 120.289 120.400 0.075 0.000 2.350 505 D HA 0.549 5.189 4.640 0.001 0.000 0.249 505 D C -0.531 175.883 176.300 0.190 0.000 1.119 505 D CA 0.263 54.315 54.000 0.086 0.000 0.886 505 D CB 1.022 41.872 40.800 0.084 0.000 1.195 505 D HN 0.113 nan 8.370 nan 0.000 0.437 506 F N 2.947 122.840 119.950 -0.095 0.000 2.794 506 F HA 0.168 4.696 4.527 0.001 0.000 0.353 506 F C 0.612 176.207 175.800 -0.341 0.000 1.371 506 F CA -0.896 57.005 58.000 -0.165 0.000 1.173 506 F CB 0.408 39.328 39.000 -0.134 0.000 1.693 506 F HN 0.074 nan 8.300 nan 0.000 0.606 507 D N 2.409 122.485 120.400 -0.540 0.000 2.158 507 D HA -0.145 4.495 4.640 0.001 0.000 0.197 507 D C -0.694 174.867 176.300 -1.232 0.000 0.995 507 D CA 1.573 55.159 54.000 -0.689 0.000 0.846 507 D CB -1.064 39.553 40.800 -0.305 0.000 0.941 507 D HN 0.342 nan 8.370 nan 0.000 0.456 508 P HA -0.105 nan 4.420 nan 0.000 0.217 508 P C 1.632 178.034 177.300 -1.497 0.000 1.148 508 P CA 1.587 63.339 63.100 -2.247 0.000 0.828 508 P CB -0.315 29.733 31.700 -2.754 0.000 0.783 509 G N 0.136 107.953 108.800 -1.637 0.000 2.479 509 G HA2 -0.210 3.751 3.960 0.001 0.000 0.220 509 G HA3 -0.210 3.751 3.960 0.001 0.000 0.220 509 G C 1.392 176.073 174.900 -0.365 0.000 1.115 509 G CA 0.726 45.360 45.100 -0.777 0.000 0.757 509 G HN 0.405 nan 8.290 nan 0.000 0.560 510 A N -0.869 121.732 122.820 -0.366 0.000 2.302 510 A HA 0.455 4.775 4.320 0.001 0.000 0.219 510 A C 0.982 178.934 177.584 0.613 0.000 1.243 510 A CA 0.241 52.293 52.037 0.025 0.000 0.856 510 A CB -0.001 18.852 19.000 -0.246 0.000 0.893 510 A HN 0.190 nan 8.150 nan 0.000 0.491 511 K N -0.427 120.028 120.400 0.093 0.000 2.367 511 K HA 0.422 4.742 4.320 0.001 0.000 0.263 511 K C 0.210 176.642 176.600 -0.279 0.000 1.000 511 K CA -1.147 55.057 56.287 -0.139 0.000 0.891 511 K CB -0.005 32.265 32.500 -0.383 0.000 1.117 511 K HN 0.073 nan 8.250 nan 0.000 0.443 512 F N 4.073 123.708 119.950 -0.525 0.000 2.053 512 F HA -0.384 4.144 4.527 0.001 0.000 0.295 512 F C 1.151 176.519 175.800 -0.720 0.000 1.102 512 F CA 2.475 59.841 58.000 -1.056 0.000 1.225 512 F CB -0.335 38.103 39.000 -0.937 0.000 0.961 512 F HN 0.893 nan 8.300 nan 0.000 0.495 513 H N -0.262 118.549 119.070 -0.430 0.000 2.426 513 H HA -0.193 4.363 4.556 0.001 0.000 0.298 513 H C 2.296 177.440 175.328 -0.307 0.000 1.107 513 H CA 1.737 57.595 56.048 -0.317 0.000 1.298 513 H CB -0.406 29.434 29.762 0.130 0.000 1.377 513 H HN 0.255 nan 8.280 nan 0.000 0.519 514 I N 0.725 121.157 120.570 -0.230 0.000 2.090 514 I HA -0.147 4.023 4.170 0.001 0.000 0.236 514 I C -0.458 175.552 176.117 -0.178 0.000 1.064 514 I CA 1.121 62.317 61.300 -0.173 0.000 1.324 514 I CB -2.090 35.657 38.000 -0.421 0.000 1.044 514 I HN 0.247 nan 8.210 nan 0.000 0.399 515 P HA -0.026 nan 4.420 nan 0.000 0.223 515 P C 1.536 178.594 177.300 -0.403 0.000 1.151 515 P CA 1.110 64.036 63.100 -0.290 0.000 0.787 515 P CB 0.011 31.567 31.700 -0.240 0.000 0.788 516 S N -0.748 114.587 115.700 -0.608 0.000 2.527 516 S HA 0.021 4.491 4.470 0.001 0.000 0.222 516 S C 0.924 175.328 174.600 -0.326 0.000 0.985 516 S CA 0.510 58.324 58.200 -0.643 0.000 0.921 516 S CB -0.815 61.561 63.200 -1.374 0.000 0.772 516 S HN 0.187 nan 8.310 nan 0.000 0.529 517 S N 0.795 116.402 115.700 -0.154 0.000 3.783 517 S HA -0.137 4.334 4.470 0.001 0.000 0.360 517 S C -0.279 174.360 174.600 0.064 0.000 1.006 517 S CA 0.034 58.337 58.200 0.171 0.000 1.115 517 S CB -1.427 61.957 63.200 0.307 0.000 0.893 517 S HN 0.266 nan 8.310 nan 0.000 0.475 518 V N 2.975 122.877 119.914 -0.020 0.000 2.347 518 V HA 0.424 4.545 4.120 0.001 0.000 0.280 518 V C -1.745 174.333 176.094 -0.026 0.000 1.021 518 V CA -1.768 60.501 62.300 -0.052 0.000 0.847 518 V CB 1.511 33.384 31.823 0.084 0.000 0.990 518 V HN 0.260 nan 8.190 nan 0.000 0.444 519 P HA 0.010 nan 4.420 nan 0.000 0.269 519 P C -0.407 176.974 177.300 0.135 0.000 1.211 519 P CA 0.466 63.385 63.100 -0.303 0.000 0.781 519 P CB 0.576 31.985 31.700 -0.486 0.000 0.877 520 Y N 0.920 121.285 120.300 0.108 0.000 2.452 520 Y HA 0.174 4.724 4.550 0.001 0.000 0.262 520 Y C 1.821 177.813 175.900 0.154 0.000 1.089 520 Y CA -0.012 58.190 58.100 0.170 0.000 1.262 520 Y CB 0.020 38.497 38.460 0.029 0.000 1.236 520 Y HN 0.114 nan 8.280 nan 0.000 0.512 521 I N 1.928 122.613 120.570 0.191 0.000 2.423 521 I HA -0.280 3.890 4.170 0.001 0.000 0.254 521 I C 2.440 178.684 176.117 0.212 0.000 1.151 521 I CA 1.511 62.906 61.300 0.157 0.000 1.421 521 I CB -0.405 37.694 38.000 0.165 0.000 1.079 521 I HN 0.257 nan 8.210 nan 0.000 0.431 522 R N -0.659 119.918 120.500 0.129 0.000 2.117 522 R HA -0.238 4.102 4.340 0.001 0.000 0.243 522 R C 2.042 178.318 176.300 -0.040 0.000 1.143 522 R CA 2.129 58.262 56.100 0.055 0.000 0.968 522 R CB -1.403 28.788 30.300 -0.183 0.000 0.863 522 R HN 0.376 nan 8.270 nan 0.000 0.444 523 Y N -0.098 120.249 120.300 0.077 0.000 2.314 523 Y HA -0.069 4.481 4.550 0.001 0.000 0.293 523 Y C 2.178 178.247 175.900 0.282 0.000 1.129 523 Y CA 0.845 59.021 58.100 0.127 0.000 1.201 523 Y CB -0.259 38.137 38.460 -0.106 0.000 0.999 523 Y HN 0.036 nan 8.280 nan 0.000 0.541 524 F N 0.089 120.176 119.950 0.228 0.000 2.113 524 F HA -0.178 4.349 4.527 0.001 0.000 0.297 524 F C 2.060 177.978 175.800 0.197 0.000 1.103 524 F CA 1.189 59.299 58.000 0.184 0.000 1.248 524 F CB -0.645 38.428 39.000 0.120 0.000 0.999 524 F HN -0.207 nan 8.300 nan 0.000 0.475 525 V N -0.309 119.769 119.914 0.272 0.000 2.332 525 V HA -0.306 3.814 4.120 0.001 0.000 0.248 525 V C 2.684 178.791 176.094 0.021 0.000 1.055 525 V CA 2.020 64.379 62.300 0.099 0.000 1.038 525 V CB -1.232 30.692 31.823 0.168 0.000 0.651 525 V HN 0.544 nan 8.190 nan 0.000 0.450 526 S N -0.347 115.438 115.700 0.141 0.000 2.359 526 S HA -0.210 4.261 4.470 0.001 0.000 0.224 526 S C 1.874 176.553 174.600 0.133 0.000 1.035 526 S CA 1.768 60.046 58.200 0.130 0.000 1.018 526 S CB -0.440 62.927 63.200 0.279 0.000 0.876 526 S HN 0.468 nan 8.310 nan 0.000 0.448 527 F N 1.567 121.513 119.950 -0.006 0.000 2.269 527 F HA 0.037 4.565 4.527 0.001 0.000 0.301 527 F C 2.054 177.860 175.800 0.009 0.000 1.082 527 F CA 0.365 58.382 58.000 0.028 0.000 1.360 527 F CB -0.353 38.728 39.000 0.135 0.000 1.041 527 F HN 0.266 nan 8.300 nan 0.000 0.512 528 I N 0.310 120.879 120.570 -0.001 0.000 2.206 528 I HA -0.199 3.971 4.170 0.001 0.000 0.239 528 I C 2.553 178.606 176.117 -0.107 0.000 1.078 528 I CA 1.336 62.580 61.300 -0.093 0.000 1.367 528 I CB -1.417 36.444 38.000 -0.232 0.000 1.078 528 I HN 0.137 nan 8.210 nan 0.000 0.413 529 I N 0.357 120.759 120.570 -0.280 0.000 2.614 529 I HA -0.260 3.911 4.170 0.001 0.000 0.258 529 I C 2.453 178.024 176.117 -0.910 0.000 1.189 529 I CA 1.059 61.993 61.300 -0.610 0.000 1.462 529 I CB -0.703 36.803 38.000 -0.822 0.000 1.092 529 I HN 0.343 nan 8.210 nan 0.000 0.442 530 Q N 0.997 120.442 119.800 -0.591 0.000 2.170 530 Q HA -0.174 4.167 4.340 0.001 0.000 0.203 530 Q C 1.844 177.566 176.000 -0.464 0.000 0.976 530 Q CA 1.613 57.089 55.803 -0.545 0.000 0.858 530 Q CB -0.782 27.655 28.738 -0.502 0.000 0.907 530 Q HN 0.540 nan 8.270 nan 0.000 0.433 531 F N 1.633 121.405 119.950 -0.295 0.000 2.206 531 F HA -0.053 4.474 4.527 0.001 0.000 0.298 531 F C 2.524 178.293 175.800 -0.053 0.000 1.090 531 F CA 1.292 59.194 58.000 -0.164 0.000 1.323 531 F CB -0.078 38.825 39.000 -0.162 0.000 1.028 531 F HN 0.064 nan 8.300 nan 0.000 0.492 532 Q N -0.688 119.120 119.800 0.013 0.000 2.124 532 Q HA -0.185 4.155 4.340 0.001 0.000 0.202 532 Q C 2.035 178.152 176.000 0.194 0.000 0.977 532 Q CA 1.440 57.276 55.803 0.055 0.000 0.850 532 Q CB -0.305 28.411 28.738 -0.037 0.000 0.901 532 Q HN 0.338 nan 8.270 nan 0.000 0.429 533 F N -0.793 119.141 119.950 -0.026 0.000 2.259 533 F HA -0.090 4.437 4.527 0.001 0.000 0.298 533 F C 2.198 177.983 175.800 -0.025 0.000 1.088 533 F CA 1.179 59.149 58.000 -0.049 0.000 1.358 533 F CB -1.113 37.819 39.000 -0.113 0.000 1.040 533 F HN 0.211 nan 8.300 nan 0.000 0.505 534 H N 0.267 119.363 119.070 0.043 0.000 2.326 534 H HA -0.119 4.438 4.556 0.001 0.000 0.301 534 H C 2.263 177.605 175.328 0.022 0.000 1.081 534 H CA 2.189 58.211 56.048 -0.043 0.000 1.334 534 H CB -0.233 29.419 29.762 -0.184 0.000 1.385 534 H HN 0.322 nan 8.280 nan 0.000 0.504 535 E N -0.141 120.102 120.200 0.071 0.000 2.049 535 E HA -0.232 4.119 4.350 0.001 0.000 0.198 535 E C 2.275 178.881 176.600 0.010 0.000 1.007 535 E CA 1.224 57.643 56.400 0.030 0.000 0.809 535 E CB -0.307 29.464 29.700 0.118 0.000 0.749 535 E HN 0.580 nan 8.360 nan 0.000 0.450 536 A N 0.451 123.310 122.820 0.065 0.000 1.902 536 A HA -0.148 4.172 4.320 0.001 0.000 0.217 536 A C 2.064 179.652 177.584 0.006 0.000 1.181 536 A CA 1.107 53.176 52.037 0.053 0.000 0.623 536 A CB -0.468 18.587 19.000 0.091 0.000 0.818 536 A HN 0.276 nan 8.150 nan 0.000 0.443 537 L N -0.549 120.666 121.223 -0.014 0.000 2.093 537 L HA -0.135 4.205 4.340 0.001 0.000 0.208 537 L C 2.635 179.465 176.870 -0.067 0.000 1.085 537 L CA 1.274 56.091 54.840 -0.038 0.000 0.755 537 L CB -1.151 40.890 42.059 -0.030 0.000 0.904 537 L HN 0.504 nan 8.230 nan 0.000 0.435 538 c N -0.912 117.601 118.600 -0.145 0.000 2.432 538 c HA -0.193 4.377 4.570 0.001 0.000 0.277 538 c C 2.897 176.975 174.090 -0.019 0.000 1.249 538 c CA 0.962 57.199 56.329 -0.153 0.000 1.725 538 c CB -0.857 41.450 42.510 -0.338 0.000 2.028 538 c HN 0.680 nan 8.230 nan 0.000 0.477 539 Q N 1.631 121.425 119.800 -0.011 0.000 2.050 539 Q HA -0.158 4.182 4.340 0.001 0.000 0.202 539 Q C 2.118 178.127 176.000 0.015 0.000 0.980 539 Q CA 2.185 58.001 55.803 0.022 0.000 0.840 539 Q CB -0.386 28.367 28.738 0.025 0.000 0.898 539 Q HN 0.550 nan 8.270 nan 0.000 0.424 540 A N 0.666 123.488 122.820 0.004 0.000 2.019 540 A HA 0.021 4.341 4.320 0.001 0.000 0.219 540 A C 2.162 179.747 177.584 0.001 0.000 1.164 540 A CA 1.421 53.459 52.037 0.001 0.000 0.644 540 A CB -0.733 18.264 19.000 -0.006 0.000 0.805 540 A HN 0.603 nan 8.150 nan 0.000 0.449 541 A N -1.925 120.898 122.820 0.005 0.000 2.251 541 A HA 0.430 4.751 4.320 0.001 0.000 0.209 541 A C 1.741 179.340 177.584 0.026 0.000 1.187 541 A CA 1.088 53.132 52.037 0.012 0.000 0.823 541 A CB -0.859 18.150 19.000 0.014 0.000 0.846 541 A HN 1.815 nan 8.150 nan 0.000 0.486 542 G N -1.081 107.736 108.800 0.027 0.000 2.159 542 G HA2 -0.323 3.637 3.960 0.001 0.000 0.256 542 G HA3 -0.323 3.637 3.960 0.001 0.000 0.256 542 G C 0.172 175.088 174.900 0.027 0.000 0.977 542 G CA 0.522 45.633 45.100 0.019 0.000 0.652 542 G HN 1.021 nan 8.290 nan 0.000 0.531 543 H N 1.524 120.573 119.070 -0.035 0.000 2.897 543 H HA 0.501 5.057 4.556 0.001 0.000 0.347 543 H C 0.962 176.266 175.328 -0.039 0.000 1.068 543 H CA 1.577 57.600 56.048 -0.042 0.000 1.426 543 H CB 0.641 30.367 29.762 -0.059 0.000 1.410 543 H HN 0.473 nan 8.280 nan 0.000 0.597 544 T N 1.704 115.896 114.554 -0.603 0.000 2.906 544 T HA 0.661 5.011 4.350 0.001 0.000 0.295 544 T C 0.357 174.800 174.700 -0.428 0.000 1.075 544 T CA -0.229 61.677 62.100 -0.323 0.000 1.005 544 T CB 1.657 70.406 68.868 -0.199 0.000 1.136 544 T HN 1.218 nan 8.240 nan 0.000 0.498 545 G N 1.574 110.288 108.800 -0.144 0.000 2.627 545 G HA2 0.037 3.997 3.960 0.001 0.000 0.214 545 G HA3 0.037 3.997 3.960 0.001 0.000 0.214 545 G C -2.860 172.063 174.900 0.038 0.000 1.331 545 G CA -0.790 44.263 45.100 -0.078 0.000 0.891 545 G HN 0.901 nan 8.290 nan 0.000 0.539 546 P HA 0.272 nan 4.420 nan 0.000 0.263 546 P C 1.231 178.509 177.300 -0.037 0.000 1.195 546 P CA -0.363 62.716 63.100 -0.035 0.000 0.762 546 P CB 0.632 32.222 31.700 -0.182 0.000 0.799 547 L N 4.708 125.934 121.223 0.005 0.000 2.081 547 L HA -0.226 4.115 4.340 0.001 0.000 0.212 547 L C 2.196 179.019 176.870 -0.079 0.000 1.080 547 L CA 1.890 56.723 54.840 -0.012 0.000 0.754 547 L CB -1.202 40.936 42.059 0.132 0.000 0.893 547 L HN 0.567 nan 8.230 nan 0.000 0.433 548 H N -1.133 117.767 119.070 -0.283 0.000 2.545 548 H HA -0.077 4.479 4.556 0.001 0.000 0.282 548 H C 1.261 176.575 175.328 -0.023 0.000 1.020 548 H CA 0.998 56.788 56.048 -0.430 0.000 1.243 548 H CB -0.299 28.923 29.762 -0.901 0.000 1.377 548 H HN 0.439 nan 8.280 nan 0.000 0.581 549 K N 0.594 120.739 120.400 -0.424 0.000 2.387 549 K HA 0.104 4.424 4.320 0.001 0.000 0.198 549 K C 0.260 176.791 176.600 -0.114 0.000 1.022 549 K CA -0.131 56.017 56.287 -0.232 0.000 1.128 549 K CB 0.326 32.698 32.500 -0.213 0.000 0.853 549 K HN 0.192 nan 8.250 nan 0.000 0.523 550 c N 1.955 120.340 118.600 -0.358 0.000 2.527 550 c HA 0.269 4.839 4.570 0.001 0.000 0.396 550 c C -0.488 173.558 174.090 -0.074 0.000 1.289 550 c CA -0.415 55.561 56.329 -0.589 0.000 2.047 550 c CB 0.100 42.045 42.510 -0.941 0.000 2.568 550 c HN 0.344 nan 8.230 nan 0.000 0.573 551 D N 4.059 124.465 120.400 0.010 0.000 2.575 551 D HA 0.251 4.891 4.640 0.001 0.000 0.250 551 D C 0.602 177.000 176.300 0.164 0.000 1.279 551 D CA -0.616 53.470 54.000 0.143 0.000 0.925 551 D CB 0.801 41.709 40.800 0.180 0.000 1.261 551 D HN 0.639 nan 8.370 nan 0.000 0.567 552 I N 1.123 121.810 120.570 0.196 0.000 3.564 552 I HA 0.207 4.378 4.170 0.001 0.000 0.294 552 I C 0.460 176.677 176.117 0.165 0.000 1.289 552 I CA -0.438 60.953 61.300 0.152 0.000 1.325 552 I CB -0.497 37.578 38.000 0.125 0.000 1.039 552 I HN 0.210 nan 8.210 nan 0.000 0.474 553 Y N 3.835 124.163 120.300 0.048 0.000 2.944 553 Y HA -0.165 4.386 4.550 0.001 0.000 0.340 553 Y C 1.195 176.978 175.900 -0.195 0.000 1.275 553 Y CA 0.932 58.826 58.100 -0.343 0.000 1.590 553 Y CB 0.113 38.375 38.460 -0.330 0.000 1.218 553 Y HN 0.461 nan 8.280 nan 0.000 0.576 554 Q N 1.602 120.975 119.800 -0.711 0.000 2.374 554 Q HA -0.258 4.082 4.340 0.001 0.000 0.218 554 Q C -0.036 175.822 176.000 -0.236 0.000 0.691 554 Q CA 1.005 56.480 55.803 -0.546 0.000 1.340 554 Q CB -1.568 26.870 28.738 -0.500 0.000 1.498 554 Q HN 0.603 nan 8.270 nan 0.000 0.739 555 S N 0.457 116.071 115.700 -0.143 0.000 2.411 555 S HA 0.203 4.674 4.470 0.001 0.000 0.304 555 S C 1.130 175.693 174.600 -0.062 0.000 1.098 555 S CA -0.632 57.526 58.200 -0.071 0.000 1.068 555 S CB 0.617 63.802 63.200 -0.026 0.000 1.032 555 S HN 0.118 nan 8.310 nan 0.000 0.511 556 K N 3.944 124.307 120.400 -0.062 0.000 2.147 556 K HA -0.083 4.238 4.320 0.001 0.000 0.205 556 K C 1.549 178.130 176.600 -0.032 0.000 1.049 556 K CA 1.395 57.654 56.287 -0.047 0.000 0.936 556 K CB -0.271 32.203 32.500 -0.044 0.000 0.722 556 K HN 0.639 nan 8.250 nan 0.000 0.446 557 E N 0.943 121.126 120.200 -0.028 0.000 2.031 557 E HA -0.129 4.221 4.350 0.001 0.000 0.193 557 E C 2.013 178.599 176.600 -0.022 0.000 0.994 557 E CA 1.524 57.911 56.400 -0.021 0.000 0.800 557 E CB -0.482 29.208 29.700 -0.016 0.000 0.752 557 E HN 0.300 nan 8.360 nan 0.000 0.447 558 A N 0.781 123.588 122.820 -0.021 0.000 1.892 558 A HA -0.160 4.160 4.320 0.001 0.000 0.218 558 A C 2.498 180.067 177.584 -0.026 0.000 1.188 558 A CA 2.157 54.182 52.037 -0.020 0.000 0.631 558 A CB -1.491 17.505 19.000 -0.007 0.000 0.822 558 A HN 0.359 nan 8.150 nan 0.000 0.447 559 G N -0.977 107.812 108.800 -0.018 0.000 2.476 559 G HA2 -0.339 3.622 3.960 0.001 0.000 0.218 559 G HA3 -0.339 3.622 3.960 0.001 0.000 0.218 559 G C 1.616 176.499 174.900 -0.029 0.000 1.164 559 G CA 1.469 46.562 45.100 -0.013 0.000 0.768 559 G HN 0.591 nan 8.290 nan 0.000 0.560 560 Q N 0.106 119.889 119.800 -0.029 0.000 2.170 560 Q HA -0.018 4.323 4.340 0.001 0.000 0.203 560 Q C 2.621 178.598 176.000 -0.039 0.000 0.976 560 Q CA 1.013 56.798 55.803 -0.030 0.000 0.858 560 Q CB -0.180 28.544 28.738 -0.022 0.000 0.907 560 Q HN 0.288 nan 8.270 nan 0.000 0.433 561 R N -0.216 120.258 120.500 -0.045 0.000 2.083 561 R HA -0.100 4.240 4.340 0.001 0.000 0.237 561 R C 2.258 178.501 176.300 -0.095 0.000 1.137 561 R CA 1.425 57.490 56.100 -0.058 0.000 0.951 561 R CB -0.802 29.463 30.300 -0.059 0.000 0.851 561 R HN 0.383 nan 8.270 nan 0.000 0.434 562 L N -0.121 121.032 121.223 -0.117 0.000 2.044 562 L HA -0.093 4.247 4.340 0.001 0.000 0.205 562 L C 2.640 179.417 176.870 -0.156 0.000 1.075 562 L CA 1.138 55.874 54.840 -0.173 0.000 0.747 562 L CB -0.598 41.363 42.059 -0.163 0.000 0.903 562 L HN 0.168 nan 8.230 nan 0.000 0.435 563 A N -0.186 122.569 122.820 -0.108 0.000 1.883 563 A HA -0.245 4.075 4.320 0.001 0.000 0.217 563 A C 2.317 179.860 177.584 -0.067 0.000 1.186 563 A CA 2.536 54.515 52.037 -0.097 0.000 0.624 563 A CB -1.051 17.912 19.000 -0.061 0.000 0.822 563 A HN 0.413 nan 8.150 nan 0.000 0.444 564 T N 0.340 114.867 114.554 -0.045 0.000 2.665 564 T HA -0.100 4.251 4.350 0.001 0.000 0.268 564 T C 2.157 176.857 174.700 0.000 0.000 1.035 564 T CA 1.899 63.990 62.100 -0.015 0.000 1.151 564 T CB -0.474 68.388 68.868 -0.010 0.000 0.862 564 T HN 0.635 nan 8.240 nan 0.000 0.438 565 A N 0.812 123.620 122.820 -0.019 0.000 1.929 565 A HA 0.112 4.432 4.320 0.001 0.000 0.216 565 A C 2.323 179.934 177.584 0.045 0.000 1.176 565 A CA 1.104 53.157 52.037 0.027 0.000 0.628 565 A CB -0.592 18.422 19.000 0.024 0.000 0.816 565 A HN 0.441 nan 8.150 nan 0.000 0.444 566 M N -0.606 118.938 119.600 -0.093 0.000 2.175 566 M HA -0.136 4.344 4.480 0.001 0.000 0.264 566 M C 1.982 178.356 176.300 0.123 0.000 1.063 566 M CA 1.460 56.631 55.300 -0.215 0.000 1.119 566 M CB -0.251 32.029 32.600 -0.534 0.000 1.377 566 M HN 0.295 nan 8.290 nan 0.000 0.415 567 K N 0.417 120.866 120.400 0.082 0.000 2.209 567 K HA -0.095 4.225 4.320 0.001 0.000 0.204 567 K C 1.700 178.428 176.600 0.213 0.000 1.048 567 K CA 0.980 57.356 56.287 0.148 0.000 0.940 567 K CB -0.245 32.302 32.500 0.079 0.000 0.729 567 K HN 0.364 nan 8.250 nan 0.000 0.451 568 L N 0.110 121.447 121.223 0.190 0.000 2.275 568 L HA -0.101 4.239 4.340 0.001 0.000 0.215 568 L C 1.596 178.594 176.870 0.213 0.000 1.119 568 L CA 0.675 55.613 54.840 0.163 0.000 0.790 568 L CB -1.072 41.056 42.059 0.115 0.000 0.919 568 L HN 0.411 nan 8.230 nan 0.000 0.443 569 G N 0.667 109.694 108.800 0.379 0.000 2.651 569 G HA2 -0.433 3.527 3.960 0.001 0.000 0.315 569 G HA3 -0.433 3.527 3.960 0.001 0.000 0.315 569 G C 0.231 175.274 174.900 0.238 0.000 1.258 569 G CA 0.712 46.028 45.100 0.360 0.000 1.002 569 G HN 0.250 nan 8.290 nan 0.000 0.551 570 F N 2.408 122.340 119.950 -0.030 0.000 2.647 570 F HA 0.422 4.950 4.527 0.001 0.000 0.300 570 F C 2.376 178.172 175.800 -0.008 0.000 1.106 570 F CA 0.802 58.784 58.000 -0.030 0.000 1.313 570 F CB 0.116 39.081 39.000 -0.059 0.000 1.007 570 F HN 0.483 nan 8.300 nan 0.000 0.536 571 S N -0.223 115.472 115.700 -0.008 0.000 2.387 571 S HA 0.082 4.552 4.470 0.001 0.000 0.226 571 S C 1.067 175.579 174.600 -0.147 0.000 1.026 571 S CA 0.334 58.498 58.200 -0.060 0.000 0.972 571 S CB -0.081 63.123 63.200 0.006 0.000 0.814 571 S HN 0.143 nan 8.310 nan 0.000 0.477 572 R N 1.455 121.867 120.500 -0.146 0.000 2.832 572 R HA 0.570 4.911 4.340 0.001 0.000 0.271 572 R C -3.161 173.012 176.300 -0.211 0.000 0.996 572 R CA -2.538 53.472 56.100 -0.150 0.000 0.977 572 R CB -0.056 30.201 30.300 -0.072 0.000 1.168 572 R HN 0.143 nan 8.270 nan 0.000 0.482 573 P HA -0.047 nan 4.420 nan 0.000 0.266 573 P C 0.966 178.180 177.300 -0.143 0.000 1.195 573 P CA -0.121 62.857 63.100 -0.204 0.000 0.768 573 P CB 0.254 31.830 31.700 -0.206 0.000 0.838 574 W N 4.180 125.415 121.300 -0.108 0.000 2.350 574 W HA -0.062 4.599 4.660 0.001 0.000 0.289 574 W C -1.717 174.825 176.519 0.038 0.000 1.215 574 W CA 0.942 58.209 57.345 -0.131 0.000 1.236 574 W CB -2.839 26.538 29.460 -0.138 0.000 1.130 574 W HN 0.306 nan 8.180 nan 0.000 0.541 575 P HA -0.186 nan 4.420 nan 0.000 0.219 575 P C 1.349 178.659 177.300 0.016 0.000 1.146 575 P CA 2.540 65.426 63.100 -0.356 0.000 0.808 575 P CB -0.262 31.075 31.700 -0.605 0.000 0.779 576 E N -0.316 119.876 120.200 -0.013 0.000 2.047 576 E HA -0.119 4.232 4.350 0.001 0.000 0.191 576 E C 2.137 178.810 176.600 0.122 0.000 0.987 576 E CA 1.195 57.615 56.400 0.034 0.000 0.799 576 E CB -0.657 29.033 29.700 -0.016 0.000 0.752 576 E HN 0.156 nan 8.360 nan 0.000 0.449 577 A N 1.549 124.467 122.820 0.164 0.000 1.908 577 A HA -0.227 4.094 4.320 0.001 0.000 0.218 577 A C 2.185 180.018 177.584 0.415 0.000 1.181 577 A CA 1.762 53.947 52.037 0.246 0.000 0.627 577 A CB -0.480 18.636 19.000 0.193 0.000 0.818 577 A HN 0.203 nan 8.150 nan 0.000 0.445 578 M N -0.296 119.675 119.600 0.618 0.000 2.108 578 M HA -0.206 4.275 4.480 0.001 0.000 0.261 578 M C 2.137 178.655 176.300 0.362 0.000 1.066 578 M CA 2.463 58.157 55.300 0.658 0.000 1.107 578 M CB -0.638 32.471 32.600 0.849 0.000 1.356 578 M HN 0.548 nan 8.290 nan 0.000 0.406 579 Q N -0.551 119.401 119.800 0.252 0.000 2.123 579 Q HA -0.091 4.250 4.340 0.001 0.000 0.199 579 Q C 1.978 178.049 176.000 0.118 0.000 0.966 579 Q CA 1.543 57.440 55.803 0.158 0.000 0.845 579 Q CB -0.212 28.589 28.738 0.104 0.000 0.907 579 Q HN 0.631 nan 8.270 nan 0.000 0.439 580 L N -0.024 121.265 121.223 0.110 0.000 2.046 580 L HA -0.184 4.156 4.340 0.001 0.000 0.208 580 L C 2.165 179.060 176.870 0.042 0.000 1.077 580 L CA 1.054 55.934 54.840 0.065 0.000 0.747 580 L CB -0.210 41.883 42.059 0.056 0.000 0.896 580 L HN 0.340 nan 8.230 nan 0.000 0.432 581 I N -1.072 119.522 120.570 0.040 0.000 2.277 581 I HA -0.212 3.958 4.170 0.001 0.000 0.243 581 I C 2.457 178.598 176.117 0.040 0.000 1.094 581 I CA 1.844 63.121 61.300 -0.039 0.000 1.393 581 I CB -0.352 37.496 38.000 -0.252 0.000 1.078 581 I HN 0.368 nan 8.210 nan 0.000 0.417 582 T N -3.048 111.582 114.554 0.126 0.000 3.014 582 T HA 0.333 4.684 4.350 0.001 0.000 0.250 582 T C 1.509 176.278 174.700 0.115 0.000 1.060 582 T CA 0.575 62.763 62.100 0.147 0.000 1.040 582 T CB 0.926 69.926 68.868 0.220 0.000 0.971 582 T HN 0.498 nan 8.240 nan 0.000 0.497 583 G N 1.221 110.085 108.800 0.107 0.000 2.179 583 G HA2 -0.125 3.835 3.960 0.001 0.000 0.220 583 G HA3 -0.125 3.835 3.960 0.001 0.000 0.220 583 G C -0.178 174.777 174.900 0.093 0.000 0.990 583 G CA 0.171 45.322 45.100 0.085 0.000 0.646 583 G HN 1.026 nan 8.290 nan 0.000 0.517 584 Q N -1.218 118.655 119.800 0.122 0.000 2.501 584 Q HA 0.776 5.117 4.340 0.001 0.000 0.288 584 Q C -2.778 173.316 176.000 0.156 0.000 1.051 584 Q CA -1.574 54.301 55.803 0.120 0.000 0.788 584 Q CB 2.217 31.024 28.738 0.115 0.000 1.469 584 Q HN 0.079 nan 8.270 nan 0.000 0.416 585 P HA 0.105 nan 4.420 nan 0.000 0.266 585 P C -0.780 176.639 177.300 0.198 0.000 1.381 585 P CA 0.188 63.366 63.100 0.129 0.000 0.940 585 P CB 0.768 32.475 31.700 0.012 0.000 1.435 586 Q N -0.395 119.561 119.800 0.261 0.000 2.378 586 Q HA 0.548 4.888 4.340 0.001 0.000 0.276 586 Q C -0.054 176.186 176.000 0.399 0.000 1.083 586 Q CA -1.145 54.870 55.803 0.353 0.000 0.856 586 Q CB 1.570 30.449 28.738 0.234 0.000 1.383 586 Q HN -0.008 nan 8.270 nan 0.000 0.458 587 M N 1.187 121.036 119.600 0.414 0.000 2.211 587 M HA 0.280 4.760 4.480 0.001 0.000 0.356 587 M C -0.353 176.045 176.300 0.164 0.000 1.216 587 M CA 0.165 55.609 55.300 0.240 0.000 1.134 587 M CB 1.278 33.990 32.600 0.186 0.000 1.564 587 M HN 0.498 nan 8.290 nan 0.000 0.463 588 S N 1.161 116.918 115.700 0.096 0.000 2.546 588 S HA 0.645 5.115 4.470 0.001 0.000 0.272 588 S C 0.034 174.655 174.600 0.035 0.000 1.140 588 S CA -0.440 57.807 58.200 0.080 0.000 0.920 588 S CB 1.658 64.915 63.200 0.096 0.000 1.083 588 S HN 0.748 nan 8.310 nan 0.000 0.476 589 A N 2.826 125.660 122.820 0.023 0.000 2.208 589 A HA 0.153 4.474 4.320 0.001 0.000 0.209 589 A C 2.036 179.623 177.584 0.005 0.000 1.161 589 A CA 1.161 53.190 52.037 -0.013 0.000 0.782 589 A CB -0.818 18.163 19.000 -0.031 0.000 0.816 589 A HN 1.326 nan 8.150 nan 0.000 0.477 590 S N 0.610 116.331 115.700 0.036 0.000 2.370 590 S HA -0.121 4.349 4.470 0.001 0.000 0.226 590 S C 2.072 176.712 174.600 0.068 0.000 1.033 590 S CA 1.332 59.563 58.200 0.051 0.000 1.011 590 S CB -0.714 62.523 63.200 0.062 0.000 0.852 590 S HN 0.851 nan 8.310 nan 0.000 0.457 591 A N 2.011 124.882 122.820 0.085 0.000 1.883 591 A HA 0.003 4.323 4.320 0.001 0.000 0.217 591 A C 2.354 180.018 177.584 0.134 0.000 1.186 591 A CA 1.796 53.916 52.037 0.138 0.000 0.624 591 A CB -0.834 18.270 19.000 0.173 0.000 0.822 591 A HN 0.619 nan 8.150 nan 0.000 0.444 592 M N -0.542 119.059 119.600 0.002 0.000 2.086 592 M HA -0.111 4.370 4.480 0.001 0.000 0.261 592 M C 1.950 178.236 176.300 -0.024 0.000 1.067 592 M CA 1.656 56.775 55.300 -0.301 0.000 1.116 592 M CB -0.291 32.057 32.600 -0.420 0.000 1.348 592 M HN 0.427 nan 8.290 nan 0.000 0.407 593 L N -0.889 120.350 121.223 0.027 0.000 2.046 593 L HA -0.209 4.132 4.340 0.001 0.000 0.208 593 L C 2.721 179.663 176.870 0.120 0.000 1.077 593 L CA 1.517 56.406 54.840 0.082 0.000 0.747 593 L CB -0.926 41.160 42.059 0.045 0.000 0.896 593 L HN 0.431 nan 8.230 nan 0.000 0.432 594 S N -0.615 115.150 115.700 0.109 0.000 2.356 594 S HA -0.285 4.185 4.470 0.001 0.000 0.223 594 S C 2.126 176.804 174.600 0.130 0.000 1.032 594 S CA 1.231 59.501 58.200 0.115 0.000 1.005 594 S CB -0.477 62.794 63.200 0.118 0.000 0.867 594 S HN 0.473 nan 8.310 nan 0.000 0.449 595 Y N 0.568 120.859 120.300 -0.016 0.000 2.165 595 Y HA -0.104 4.447 4.550 0.001 0.000 0.286 595 Y C 1.427 177.127 175.900 -0.334 0.000 1.155 595 Y CA 2.084 60.101 58.100 -0.137 0.000 1.164 595 Y CB -0.316 38.006 38.460 -0.229 0.000 0.978 595 Y HN 0.393 nan 8.280 nan 0.000 0.513 596 F N -0.452 119.589 119.950 0.152 0.000 2.727 596 F HA 0.133 4.660 4.527 0.001 0.000 0.302 596 F C 1.935 177.734 175.800 -0.001 0.000 1.097 596 F CA -0.125 57.897 58.000 0.037 0.000 1.330 596 F CB -0.033 38.974 39.000 0.013 0.000 1.084 596 F HN -0.122 nan 8.300 nan 0.000 0.578 597 K N 2.088 122.567 120.400 0.133 0.000 2.034 597 K HA -0.177 4.144 4.320 0.001 0.000 0.214 597 K C -0.955 175.701 176.600 0.093 0.000 1.051 597 K CA 2.028 58.378 56.287 0.104 0.000 0.931 597 K CB -1.625 30.925 32.500 0.083 0.000 0.715 597 K HN 0.093 nan 8.250 nan 0.000 0.446 598 P HA -0.133 nan 4.420 nan 0.000 0.216 598 P C 1.373 178.741 177.300 0.112 0.000 1.150 598 P CA 0.968 64.108 63.100 0.067 0.000 0.837 598 P CB -0.021 31.681 31.700 0.003 0.000 0.786 599 L N -1.027 120.257 121.223 0.102 0.000 2.109 599 L HA -0.070 4.270 4.340 0.001 0.000 0.207 599 L C 2.078 179.061 176.870 0.188 0.000 1.086 599 L CA 1.484 56.420 54.840 0.161 0.000 0.760 599 L CB -1.405 40.762 42.059 0.180 0.000 0.910 599 L HN -0.138 nan 8.230 nan 0.000 0.437 600 L N -0.445 120.867 121.223 0.148 0.000 2.017 600 L HA -0.196 4.145 4.340 0.001 0.000 0.208 600 L C 1.997 178.923 176.870 0.092 0.000 1.073 600 L CA 1.958 56.858 54.840 0.101 0.000 0.745 600 L CB -1.016 41.092 42.059 0.082 0.000 0.894 600 L HN 0.294 nan 8.230 nan 0.000 0.432 601 D N -1.267 119.199 120.400 0.110 0.000 2.117 601 D HA -0.249 4.392 4.640 0.001 0.000 0.197 601 D C 1.794 178.159 176.300 0.107 0.000 0.987 601 D CA 1.568 55.623 54.000 0.092 0.000 0.829 601 D CB -0.523 40.338 40.800 0.102 0.000 0.961 601 D HN 0.599 nan 8.370 nan 0.000 0.460 602 W N 1.484 122.786 121.300 0.004 0.000 2.358 602 W HA -0.086 4.574 4.660 0.000 0.000 0.303 602 W C 2.070 178.559 176.519 -0.051 0.000 1.208 602 W CA 1.031 58.374 57.345 -0.004 0.000 1.274 602 W CB -0.400 29.062 29.460 0.003 0.000 1.138 602 W HN -0.099 nan 8.180 nan 0.000 0.515 603 L N 0.316 121.580 121.223 0.069 0.000 2.017 603 L HA -0.213 4.127 4.340 0.001 0.000 0.208 603 L C 2.763 179.528 176.870 -0.176 0.000 1.073 603 L CA 1.697 56.461 54.840 -0.126 0.000 0.745 603 L CB -0.860 41.208 42.059 0.016 0.000 0.894 603 L HN -0.091 nan 8.230 nan 0.000 0.432 604 R N -0.771 119.677 120.500 -0.087 0.000 2.083 604 R HA -0.160 4.180 4.340 0.001 0.000 0.237 604 R C 2.275 178.501 176.300 -0.123 0.000 1.137 604 R CA 2.043 58.098 56.100 -0.075 0.000 0.951 604 R CB -0.769 29.510 30.300 -0.036 0.000 0.851 604 R HN 0.356 nan 8.270 nan 0.000 0.434 605 T N 0.609 115.059 114.554 -0.173 0.000 2.652 605 T HA -0.199 4.152 4.350 0.001 0.000 0.267 605 T C 1.687 176.228 174.700 -0.264 0.000 1.039 605 T CA 1.745 63.727 62.100 -0.197 0.000 1.153 605 T CB -0.241 68.502 68.868 -0.208 0.000 0.863 605 T HN 0.306 nan 8.240 nan 0.000 0.428 606 E N 1.633 121.537 120.200 -0.494 0.000 2.085 606 E HA -0.152 4.198 4.350 0.001 0.000 0.194 606 E C 2.057 178.606 176.600 -0.086 0.000 0.994 606 E CA 1.354 57.482 56.400 -0.454 0.000 0.801 606 E CB -0.324 28.761 29.700 -1.024 0.000 0.743 606 E HN 0.299 nan 8.360 nan 0.000 0.453 607 N N 0.382 119.024 118.700 -0.097 0.000 2.270 607 N HA -0.106 4.634 4.740 0.001 0.000 0.181 607 N C 1.516 177.038 175.510 0.019 0.000 1.016 607 N CA 1.198 54.252 53.050 0.008 0.000 0.870 607 N CB -0.131 38.358 38.487 0.004 0.000 0.979 607 N HN 0.380 nan 8.380 nan 0.000 0.431 608 E N 0.642 120.825 120.200 -0.029 0.000 2.106 608 E HA -0.027 4.323 4.350 0.001 0.000 0.192 608 E C 1.944 178.522 176.600 -0.037 0.000 0.984 608 E CA 0.393 56.774 56.400 -0.031 0.000 0.806 608 E CB -0.046 29.626 29.700 -0.047 0.000 0.750 608 E HN 0.273 nan 8.360 nan 0.000 0.458 609 L N 0.203 121.393 121.223 -0.055 0.000 2.131 609 L HA -0.189 4.152 4.340 0.001 0.000 0.210 609 L C 1.418 178.173 176.870 -0.191 0.000 1.092 609 L CA 1.206 55.969 54.840 -0.129 0.000 0.759 609 L CB -0.261 41.687 42.059 -0.185 0.000 0.903 609 L HN 0.220 nan 8.230 nan 0.000 0.435 610 H N -0.748 118.278 119.070 -0.072 0.000 2.519 610 H HA 0.214 4.771 4.556 0.001 0.000 0.289 610 H C 1.344 176.633 175.328 -0.065 0.000 1.040 610 H CA 0.351 56.359 56.048 -0.067 0.000 1.165 610 H CB -0.016 29.703 29.762 -0.070 0.000 1.462 610 H HN 0.285 nan 8.280 nan 0.000 0.555 611 G N 1.218 110.031 108.800 0.022 0.000 2.341 611 G HA2 -0.323 3.638 3.960 0.001 0.000 0.292 611 G HA3 -0.323 3.638 3.960 0.001 0.000 0.292 611 G C -0.125 174.777 174.900 0.003 0.000 1.021 611 G CA 0.032 45.132 45.100 -0.001 0.000 0.905 611 G HN 0.346 nan 8.290 nan 0.000 0.508 612 E N -0.013 120.197 120.200 0.017 0.000 2.392 612 E HA 0.207 4.557 4.350 0.001 0.000 0.264 612 E C 0.595 177.195 176.600 -0.001 0.000 1.024 612 E CA 0.307 56.709 56.400 0.003 0.000 0.903 612 E CB 0.650 30.358 29.700 0.014 0.000 0.963 612 E HN 0.475 nan 8.360 nan 0.000 0.432 613 K N 2.870 123.270 120.400 -0.001 0.000 2.347 613 K HA 0.311 4.632 4.320 0.001 0.000 0.262 613 K C 0.046 176.654 176.600 0.012 0.000 1.052 613 K CA -0.397 55.888 56.287 -0.003 0.000 0.946 613 K CB 0.734 33.229 32.500 -0.008 0.000 1.220 613 K HN 0.261 nan 8.250 nan 0.000 0.450 614 L N 2.211 123.433 121.223 -0.002 0.000 2.529 614 L HA 0.009 4.349 4.340 0.001 0.000 0.287 614 L C 1.159 177.981 176.870 -0.079 0.000 1.241 614 L CA 0.819 55.653 54.840 -0.009 0.000 0.857 614 L CB -0.227 41.809 42.059 -0.037 0.000 1.113 614 L HN 0.966 nan 8.230 nan 0.000 0.504 615 G N 2.539 111.263 108.800 -0.126 0.000 2.681 615 G HA2 -0.244 3.717 3.960 0.001 0.000 0.220 615 G HA3 -0.244 3.717 3.960 0.001 0.000 0.220 615 G C -1.057 173.813 174.900 -0.049 0.000 1.353 615 G CA 0.021 44.823 45.100 -0.497 0.000 0.872 615 G HN 0.976 nan 8.290 nan 0.000 0.557 616 W N -1.871 119.455 121.300 0.044 0.000 1.890 616 W HA 0.611 5.271 4.660 0.001 0.000 0.293 616 W C -1.626 174.985 176.519 0.153 0.000 0.895 616 W CA -1.508 55.897 57.345 0.100 0.000 1.968 616 W CB 0.597 30.142 29.460 0.141 0.000 2.198 616 W HN 0.493 nan 8.180 nan 0.000 0.401 617 P HA -0.265 nan 4.420 nan 0.000 0.216 617 P C 0.498 177.922 177.300 0.207 0.000 1.167 617 P CA 1.985 65.168 63.100 0.139 0.000 0.914 617 P CB 0.244 31.982 31.700 0.063 0.000 0.793 618 Q N -0.245 119.643 119.800 0.146 0.000 3.004 618 Q HA -0.011 4.330 4.340 0.001 0.000 0.256 618 Q C 0.637 176.748 176.000 0.186 0.000 1.387 618 Q CA -0.257 55.595 55.803 0.081 0.000 0.962 618 Q CB -0.645 28.130 28.738 0.062 0.000 1.676 618 Q HN 0.489 nan 8.270 nan 0.000 0.568 619 Y N -1.308 119.151 120.300 0.266 0.000 2.578 619 Y HA 0.115 4.665 4.550 0.001 0.000 0.297 619 Y C 0.792 176.848 175.900 0.261 0.000 1.176 619 Y CA 0.207 58.509 58.100 0.336 0.000 1.315 619 Y CB 0.036 38.702 38.460 0.342 0.000 1.031 619 Y HN 0.227 nan 8.280 nan 0.000 0.524 620 N N -0.455 118.183 118.700 -0.103 0.000 2.299 620 N HA -0.009 4.732 4.740 0.001 0.000 0.187 620 N C -0.688 174.877 175.510 0.093 0.000 1.099 620 N CA -0.247 52.802 53.050 -0.002 0.000 0.867 620 N CB -0.247 38.141 38.487 -0.165 0.000 0.974 620 N HN 0.551 nan 8.380 nan 0.000 0.477 621 W N 2.880 124.170 121.300 -0.016 0.000 2.264 621 W HA 0.099 4.759 4.660 0.001 0.000 0.331 621 W C 0.123 176.644 176.519 0.003 0.000 1.364 621 W CA 0.237 57.581 57.345 -0.001 0.000 1.253 621 W CB 0.436 29.910 29.460 0.024 0.000 1.215 621 W HN -0.084 nan 8.180 nan 0.000 0.561 622 T N 5.374 119.443 114.554 -0.809 0.000 2.907 622 T HA 0.560 4.910 4.350 0.001 0.000 0.292 622 T C -2.402 171.403 174.700 -1.490 0.000 1.043 622 T CA -2.030 59.546 62.100 -0.874 0.000 1.003 622 T CB 1.680 70.280 68.868 -0.448 0.000 1.084 622 T HN 0.229 nan 8.240 nan 0.000 0.483 623 P HA 0.127 nan 4.420 nan 0.000 0.280 623 P C 0.193 177.269 177.300 -0.373 0.000 1.278 623 P CA -0.475 62.209 63.100 -0.693 0.000 0.787 623 P CB 0.193 31.799 31.700 -0.158 0.000 1.163 624 N N 0.000 118.617 118.700 -0.138 0.000 1.763 624 N HA 0.000 4.740 4.740 0.001 0.000 0.220 624 N CA 0.000 52.996 53.050 -0.090 0.000 0.885 624 N CB 0.000 38.476 38.487 -0.018 0.000 1.341 624 N HN 0.000 nan 8.380 nan 0.000 0.667