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 1jmu_1_D DATA FIRST_RESID 43 DATA SEQUENCE PGGVPWIAIG DETSVTSPGA LRRMTSKDIX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXDEPLVV VTEHAIANFT KAEMALEFNR EFLDKLRVLS VSPKYSDLLT DATA SEQUENCE YVDCYVGVSA RQALNNFQKQ VPVITPTRQT MYVDSIQAAL KALEKWEIDL DATA SEQUENCE RVAQTLLPTN VPIGEVSCPM QSVVKLLDDQ LPDDSLIRRY PKEAAVALAK DATA SEQUENCE RNGGIQWMDV SEGTVMNEAV NAVAASALAP SASAPPLEEK SKLTEQAMDL DATA SEQUENCE VTAAEPEIIA SLVPVPAPVF AIPPKPADYN VRTLKIDEAT WLRMIPKTMG DATA SEQUENCE TLFQIQVTDN TGTNWHFNLR GGTRVVNLDQ IAPMRFVLDL GGKSYKETSW DATA SEQUENCE DPNGKKVGFI VFQSKIPFEL WTAASQIGQA TVVNYVQLYA EDSSFTAQSI DATA SEQUENCE IATTSLAYNY EPEQLNKTDP EMNYYLLATF IDSAAITPTN MTQPDVWDAL DATA SEQUENCE LTMSPLSAGE VTVKGAVVSE VVPAELIGSY TPESLNASLP NDAARCMIDR DATA SEQUENCE ASKIAEAIKI DDDAGPDEYS PNSVPIQGQL AISQLETGYG VRIFNPKGIL DATA SEQUENCE SKIASRAMQA FIGDPSTIIT QAAPVLSDKN NWIALAQGVK TSLRTKSLSA DATA SEQUENCE GVKTAVSKLS SSESIQNWTQ GFLDKVSTHF PAP 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 43 P HA 0.000 nan 4.420 nan 0.000 0.216 43 P C 0.000 177.321 177.300 0.036 0.000 1.155 43 P CA 0.000 63.119 63.100 0.032 0.000 0.800 43 P CB 0.000 31.711 31.700 0.019 0.000 0.726 44 G N -1.246 107.575 108.800 0.034 0.000 2.596 44 G HA2 0.747 4.707 3.960 -0.000 0.000 0.296 44 G HA3 0.747 4.707 3.960 -0.000 0.000 0.296 44 G C -0.435 174.495 174.900 0.050 0.000 1.513 44 G CA 0.746 45.868 45.100 0.037 0.000 0.851 44 G HN 1.320 nan 8.290 nan 0.000 0.548 45 G N -1.332 107.495 108.800 0.046 0.000 2.390 45 G HA2 0.389 4.349 3.960 -0.000 0.000 0.202 45 G HA3 0.389 4.349 3.960 -0.000 0.000 0.202 45 G C -1.165 173.757 174.900 0.037 0.000 1.210 45 G CA 0.547 45.690 45.100 0.072 0.000 1.271 45 G HN 1.814 nan 8.290 nan 0.000 0.543 46 V N 1.917 121.867 119.914 0.060 0.000 3.007 46 V HA 0.684 4.804 4.120 -0.000 0.000 0.311 46 V C -2.428 173.565 176.094 -0.169 0.000 1.120 46 V CA -1.222 61.012 62.300 -0.110 0.000 0.980 46 V CB 2.675 34.358 31.823 -0.234 0.000 1.033 46 V HN 0.615 nan 8.190 nan 0.000 0.429 47 P HA 0.298 nan 4.420 nan 0.000 0.287 47 P C -1.607 175.500 177.300 -0.322 0.000 1.281 47 P CA -0.124 62.867 63.100 -0.183 0.000 0.781 47 P CB 0.332 31.940 31.700 -0.153 0.000 0.903 48 W N 4.033 125.373 121.300 0.066 0.000 2.587 48 W HA 0.622 5.282 4.660 -0.000 0.000 0.324 48 W C -0.212 176.419 176.519 0.187 0.000 1.040 48 W CA -0.463 56.940 57.345 0.096 0.000 1.222 48 W CB 1.413 30.923 29.460 0.084 0.000 1.381 48 W HN 0.200 nan 8.180 nan 0.000 0.483 49 I N 2.489 123.266 120.570 0.345 0.000 2.603 49 I HA 0.663 4.833 4.170 -0.000 0.000 0.300 49 I C 0.112 176.374 176.117 0.242 0.000 1.017 49 I CA -1.101 60.382 61.300 0.304 0.000 1.098 49 I CB 1.517 39.620 38.000 0.172 0.000 1.279 49 I HN 0.555 nan 8.210 nan 0.000 0.437 50 A N 7.029 129.996 122.820 0.245 0.000 2.505 50 A HA 0.056 4.376 4.320 -0.000 0.000 0.271 50 A C 1.303 178.943 177.584 0.093 0.000 1.112 50 A CA 0.201 52.313 52.037 0.125 0.000 0.781 50 A CB -0.225 18.869 19.000 0.156 0.000 1.059 50 A HN 0.950 nan 8.150 nan 0.000 0.508 51 I N 2.128 122.736 120.570 0.064 0.000 2.182 51 I HA -0.333 3.837 4.170 -0.000 0.000 0.248 51 I C 1.546 177.691 176.117 0.047 0.000 1.073 51 I CA 2.625 63.959 61.300 0.056 0.000 1.335 51 I CB 0.155 38.178 38.000 0.038 0.000 1.031 51 I HN 0.681 nan 8.210 nan 0.000 0.420 52 G N -1.691 107.134 108.800 0.041 0.000 2.509 52 G HA2 0.043 4.003 3.960 -0.000 0.000 0.175 52 G HA3 0.043 4.003 3.960 -0.000 0.000 0.175 52 G C -0.570 174.351 174.900 0.036 0.000 1.539 52 G CA -0.126 44.995 45.100 0.035 0.000 0.665 52 G HN 0.265 nan 8.290 nan 0.000 1.105 53 D N 2.729 123.148 120.400 0.033 0.000 2.412 53 D HA 0.399 5.039 4.640 -0.000 0.000 0.224 53 D C -0.234 176.093 176.300 0.045 0.000 1.093 53 D CA -0.253 53.765 54.000 0.031 0.000 0.850 53 D CB 1.307 42.117 40.800 0.017 0.000 1.046 53 D HN 0.056 nan 8.370 nan 0.000 0.507 54 E N 1.558 121.787 120.200 0.048 0.000 2.585 54 E HA -0.006 4.344 4.350 -0.000 0.000 0.252 54 E C 0.853 177.478 176.600 0.042 0.000 0.981 54 E CA 0.471 56.905 56.400 0.056 0.000 0.943 54 E CB 0.302 30.026 29.700 0.039 0.000 0.923 54 E HN 0.504 nan 8.360 nan 0.000 0.486 55 T N 0.669 115.261 114.554 0.064 0.000 11.175 55 T HA -0.294 4.056 4.350 -0.000 0.000 0.406 55 T C 1.118 175.840 174.700 0.038 0.000 1.540 55 T CA 2.058 64.183 62.100 0.042 0.000 2.506 55 T CB -1.316 67.543 68.868 -0.015 0.000 2.817 55 T HN 0.552 nan 8.240 nan 0.000 0.982 56 S N 1.559 117.273 115.700 0.023 0.000 2.954 56 S HA 0.380 4.850 4.470 -0.000 0.000 0.234 56 S C 0.577 175.176 174.600 -0.001 0.000 0.978 56 S CA -0.226 57.980 58.200 0.009 0.000 1.045 56 S CB -0.603 62.600 63.200 0.005 0.000 0.807 56 S HN 0.622 nan 8.310 nan 0.000 0.508 57 V N 2.477 122.391 119.914 -0.001 0.000 2.508 57 V HA 0.333 4.453 4.120 -0.000 0.000 0.281 57 V C 1.275 177.332 176.094 -0.063 0.000 1.041 57 V CA 0.235 62.500 62.300 -0.057 0.000 1.016 57 V CB 0.343 32.078 31.823 -0.146 0.000 0.984 57 V HN 0.699 nan 8.190 nan 0.000 0.478 58 T N 0.001 114.511 114.554 -0.072 0.000 3.313 58 T HA 0.147 4.497 4.350 -0.000 0.000 0.266 58 T C 0.860 175.514 174.700 -0.077 0.000 0.987 58 T CA 0.518 62.582 62.100 -0.060 0.000 1.086 58 T CB 0.189 69.035 68.868 -0.037 0.000 1.159 58 T HN 0.748 nan 8.240 nan 0.000 0.450 59 S N 2.186 117.839 115.700 -0.079 0.000 2.672 59 S HA 0.495 4.965 4.470 -0.000 0.000 0.276 59 S C -2.179 172.346 174.600 -0.124 0.000 1.207 59 S CA -1.194 56.955 58.200 -0.085 0.000 1.002 59 S CB 1.364 64.527 63.200 -0.063 0.000 0.998 59 S HN -0.038 nan 8.310 nan 0.000 0.542 60 P HA 0.081 nan 4.420 nan 0.000 0.222 60 P C 1.476 178.681 177.300 -0.158 0.000 1.147 60 P CA 1.154 64.138 63.100 -0.192 0.000 0.790 60 P CB -0.351 31.238 31.700 -0.184 0.000 0.780 61 G N 0.212 108.952 108.800 -0.099 0.000 2.448 61 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.218 61 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.218 61 G C 1.443 176.315 174.900 -0.047 0.000 1.135 61 G CA 0.583 45.648 45.100 -0.059 0.000 0.784 61 G HN 0.311 nan 8.290 nan 0.000 0.543 62 A N -0.402 122.375 122.820 -0.072 0.000 2.248 62 A HA 0.475 4.795 4.320 -0.000 0.000 0.210 62 A C 0.839 178.387 177.584 -0.059 0.000 1.174 62 A CA 0.251 52.251 52.037 -0.061 0.000 0.750 62 A CB -0.187 18.764 19.000 -0.081 0.000 0.780 62 A HN 0.333 nan 8.150 nan 0.000 0.478 63 L N -0.564 120.624 121.223 -0.058 0.000 2.319 63 L HA 0.660 5.000 4.340 -0.000 0.000 0.267 63 L C 0.144 177.134 176.870 0.201 0.000 1.011 63 L CA -1.103 53.754 54.840 0.027 0.000 0.818 63 L CB 1.927 43.929 42.059 -0.095 0.000 1.316 63 L HN 0.493 nan 8.230 nan 0.000 0.432 64 R N 0.243 120.954 120.500 0.351 0.000 2.668 64 R HA 0.500 4.840 4.340 -0.000 0.000 0.272 64 R C -1.192 175.239 176.300 0.218 0.000 1.019 64 R CA -1.090 55.208 56.100 0.330 0.000 0.894 64 R CB 1.236 31.623 30.300 0.145 0.000 1.228 64 R HN 0.338 nan 8.270 nan 0.000 0.460 65 R N 2.655 123.092 120.500 -0.104 0.000 2.483 65 R HA -0.016 4.324 4.340 -0.000 0.000 0.329 65 R C 0.143 176.285 176.300 -0.263 0.000 0.961 65 R CA 0.204 55.978 56.100 -0.542 0.000 1.041 65 R CB 0.021 30.018 30.300 -0.505 0.000 0.930 65 R HN 0.707 nan 8.270 nan 0.000 0.413 66 M N 2.895 122.346 119.600 -0.249 0.000 2.284 66 M HA -0.061 4.419 4.480 -0.000 0.000 0.351 66 M C 0.441 176.657 176.300 -0.139 0.000 1.443 66 M CA 0.767 55.994 55.300 -0.121 0.000 1.031 66 M CB 0.480 33.028 32.600 -0.087 0.000 1.893 66 M HN 0.688 nan 8.290 nan 0.000 0.456 67 T N 0.440 114.941 114.554 -0.088 0.000 2.919 67 T HA 0.416 4.766 4.350 -0.000 0.000 0.282 67 T C 1.073 175.733 174.700 -0.066 0.000 1.020 67 T CA -0.272 61.778 62.100 -0.084 0.000 0.994 67 T CB 1.186 70.015 68.868 -0.064 0.000 1.180 67 T HN 0.752 nan 8.240 nan 0.000 0.566 68 S N -0.299 115.364 115.700 -0.061 0.000 2.419 68 S HA -0.108 4.362 4.470 -0.000 0.000 0.233 68 S C 1.619 176.196 174.600 -0.038 0.000 1.016 68 S CA 0.875 59.044 58.200 -0.053 0.000 0.974 68 S CB -0.702 62.469 63.200 -0.049 0.000 0.786 68 S HN 0.769 nan 8.310 nan 0.000 0.492 69 K N 1.113 121.495 120.400 -0.031 0.000 2.611 69 K HA -0.010 4.310 4.320 -0.000 0.000 0.193 69 K C -0.322 176.270 176.600 -0.014 0.000 1.026 69 K CA 0.684 56.959 56.287 -0.020 0.000 1.063 69 K CB -0.113 32.378 32.500 -0.016 0.000 0.839 69 K HN 0.306 nan 8.250 nan 0.000 0.505 70 D N -0.317 120.073 120.400 -0.018 0.000 2.479 70 D HA 0.196 4.836 4.640 -0.000 0.000 0.218 70 D C -0.527 175.768 176.300 -0.008 0.000 1.177 70 D CA 0.013 54.009 54.000 -0.007 0.000 0.830 70 D CB 0.480 41.278 40.800 -0.004 0.000 1.014 70 D HN 0.058 nan 8.370 nan 0.000 0.503 98 E N 0.719 120.895 120.200 -0.041 0.000 2.392 98 E HA 0.327 4.677 4.350 -0.000 0.000 0.259 98 E C -2.268 174.291 176.600 -0.067 0.000 1.108 98 E CA -1.374 54.997 56.400 -0.049 0.000 0.916 98 E CB 0.775 30.446 29.700 -0.049 0.000 0.989 98 E HN 0.132 nan 8.360 nan 0.000 0.432 99 P HA 0.161 nan 4.420 nan 0.000 0.276 99 P C -0.746 176.481 177.300 -0.122 0.000 1.261 99 P CA -0.214 62.818 63.100 -0.114 0.000 0.800 99 P CB 0.646 32.273 31.700 -0.122 0.000 1.066 100 L N -0.192 120.936 121.223 -0.159 0.000 2.313 100 L HA 0.684 5.024 4.340 -0.000 0.000 0.268 100 L C -0.534 176.239 176.870 -0.163 0.000 1.010 100 L CA -1.059 53.690 54.840 -0.152 0.000 0.814 100 L CB 1.738 43.705 42.059 -0.153 0.000 1.304 100 L HN 0.030 nan 8.230 nan 0.000 0.441 101 V N 1.064 120.896 119.914 -0.137 0.000 2.841 101 V HA 0.318 4.438 4.120 -0.000 0.000 0.310 101 V C -0.311 175.718 176.094 -0.110 0.000 1.090 101 V CA -0.745 61.487 62.300 -0.113 0.000 0.930 101 V CB 2.565 34.340 31.823 -0.080 0.000 1.014 101 V HN 0.375 nan 8.190 nan 0.000 0.425 102 V N 4.593 124.457 119.914 -0.083 0.000 2.470 102 V HA 0.180 4.300 4.120 -0.000 0.000 0.276 102 V C 0.185 176.247 176.094 -0.054 0.000 1.040 102 V CA -0.222 62.032 62.300 -0.076 0.000 1.008 102 V CB 1.383 33.183 31.823 -0.038 0.000 0.990 102 V HN 0.594 nan 8.190 nan 0.000 0.477 103 V N 5.827 125.691 119.914 -0.084 0.000 2.408 103 V HA 0.205 4.325 4.120 -0.000 0.000 0.267 103 V C 0.902 177.009 176.094 0.022 0.000 1.047 103 V CA -0.335 61.948 62.300 -0.029 0.000 0.937 103 V CB 1.284 33.047 31.823 -0.099 0.000 0.999 103 V HN 1.077 nan 8.190 nan 0.000 0.472 104 T N 1.915 116.519 114.554 0.082 0.000 2.856 104 T HA 0.099 4.449 4.350 -0.000 0.000 0.306 104 T C 1.359 176.146 174.700 0.145 0.000 1.062 104 T CA -0.039 62.124 62.100 0.106 0.000 1.083 104 T CB 0.913 69.854 68.868 0.121 0.000 0.984 104 T HN 0.782 nan 8.240 nan 0.000 0.542 105 E N 1.384 121.663 120.200 0.130 0.000 2.097 105 E HA -0.340 4.010 4.350 -0.000 0.000 0.196 105 E C 1.704 178.400 176.600 0.159 0.000 1.000 105 E CA 1.876 58.354 56.400 0.130 0.000 0.804 105 E CB -0.952 28.812 29.700 0.105 0.000 0.740 105 E HN 0.898 nan 8.360 nan 0.000 0.454 106 H N 1.450 120.571 119.070 0.084 0.000 2.293 106 H HA 0.027 4.583 4.556 -0.000 0.000 0.300 106 H C 2.098 177.493 175.328 0.112 0.000 1.082 106 H CA 2.251 58.346 56.048 0.077 0.000 1.308 106 H CB -0.235 29.562 29.762 0.058 0.000 1.375 106 H HN 0.278 nan 8.280 nan 0.000 0.495 107 A N 1.249 124.296 122.820 0.378 0.000 1.948 107 A HA -0.151 4.169 4.320 -0.000 0.000 0.220 107 A C 2.847 180.682 177.584 0.418 0.000 1.177 107 A CA 1.641 53.942 52.037 0.440 0.000 0.636 107 A CB -0.841 18.409 19.000 0.417 0.000 0.815 107 A HN 0.473 nan 8.150 nan 0.000 0.449 108 I N -0.514 120.253 120.570 0.329 0.000 2.142 108 I HA -0.279 3.891 4.170 -0.000 0.000 0.240 108 I C 3.028 179.273 176.117 0.214 0.000 1.078 108 I CA 1.114 62.622 61.300 0.346 0.000 1.343 108 I CB -0.488 37.666 38.000 0.256 0.000 1.046 108 I HN 0.370 nan 8.210 nan 0.000 0.405 109 A N 0.999 123.885 122.820 0.111 0.000 1.908 109 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 109 A C 1.992 179.569 177.584 -0.012 0.000 1.181 109 A CA 2.517 54.571 52.037 0.028 0.000 0.627 109 A CB -0.935 18.034 19.000 -0.050 0.000 0.818 109 A HN 0.473 nan 8.150 nan 0.000 0.445 110 N N -1.346 117.315 118.700 -0.064 0.000 2.207 110 N HA 0.021 4.761 4.740 -0.000 0.000 0.182 110 N C 1.279 176.696 175.510 -0.154 0.000 1.020 110 N CA 1.295 54.258 53.050 -0.145 0.000 0.858 110 N CB -0.343 38.006 38.487 -0.231 0.000 0.991 110 N HN 0.456 nan 8.380 nan 0.000 0.427 111 F N 0.758 120.640 119.950 -0.115 0.000 2.293 111 F HA -0.091 4.436 4.527 -0.000 0.000 0.300 111 F C 2.274 178.051 175.800 -0.039 0.000 1.086 111 F CA 0.857 58.762 58.000 -0.158 0.000 1.375 111 F CB -0.460 38.215 39.000 -0.541 0.000 1.045 111 F HN 0.023 nan 8.300 nan 0.000 0.516 112 T N -0.441 114.206 114.554 0.154 0.000 2.821 112 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 112 T C 1.890 176.664 174.700 0.124 0.000 1.046 112 T CA 1.099 63.303 62.100 0.173 0.000 1.139 112 T CB -0.158 68.803 68.868 0.155 0.000 0.871 112 T HN 0.210 nan 8.240 nan 0.000 0.454 113 K N 1.061 121.502 120.400 0.068 0.000 2.283 113 K HA 0.123 4.443 4.320 -0.000 0.000 0.202 113 K C 2.577 179.209 176.600 0.053 0.000 1.048 113 K CA 0.832 57.151 56.287 0.053 0.000 0.948 113 K CB -0.161 32.343 32.500 0.006 0.000 0.742 113 K HN 0.274 nan 8.250 nan 0.000 0.458 114 A N 1.770 124.609 122.820 0.033 0.000 1.898 114 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 114 A C 1.871 179.499 177.584 0.073 0.000 1.181 114 A CA 1.363 53.413 52.037 0.022 0.000 0.620 114 A CB -0.339 18.660 19.000 -0.001 0.000 0.819 114 A HN 0.269 nan 8.150 nan 0.000 0.442 115 E N -0.476 119.796 120.200 0.121 0.000 2.097 115 E HA -0.231 4.119 4.350 -0.000 0.000 0.196 115 E C 2.073 178.754 176.600 0.134 0.000 1.000 115 E CA 1.593 58.070 56.400 0.129 0.000 0.804 115 E CB -0.305 29.501 29.700 0.176 0.000 0.740 115 E HN 0.507 nan 8.360 nan 0.000 0.454 116 M N 0.240 119.933 119.600 0.155 0.000 2.144 116 M HA -0.190 4.290 4.480 -0.000 0.000 0.260 116 M C 2.482 178.994 176.300 0.354 0.000 1.067 116 M CA 1.452 56.886 55.300 0.222 0.000 1.095 116 M CB -1.243 31.509 32.600 0.253 0.000 1.365 116 M HN 0.140 nan 8.290 nan 0.000 0.406 117 A N 0.650 123.607 122.820 0.227 0.000 1.948 117 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 117 A C 2.337 180.044 177.584 0.205 0.000 1.177 117 A CA 1.582 53.716 52.037 0.162 0.000 0.636 117 A CB -0.890 18.138 19.000 0.047 0.000 0.815 117 A HN 0.530 nan 8.150 nan 0.000 0.449 118 L N -1.192 120.130 121.223 0.166 0.000 2.095 118 L HA -0.058 4.282 4.340 -0.000 0.000 0.204 118 L C 2.286 179.253 176.870 0.162 0.000 1.080 118 L CA 0.808 55.730 54.840 0.138 0.000 0.759 118 L CB -0.639 41.467 42.059 0.077 0.000 0.914 118 L HN 0.217 nan 8.230 nan 0.000 0.439 119 E N 0.182 120.473 120.200 0.153 0.000 2.401 119 E HA -0.165 4.185 4.350 -0.000 0.000 0.199 119 E C 1.957 178.603 176.600 0.077 0.000 1.023 119 E CA 1.014 57.465 56.400 0.086 0.000 0.859 119 E CB -0.252 29.466 29.700 0.030 0.000 0.780 119 E HN 0.399 nan 8.360 nan 0.000 0.523 120 F N 1.171 121.170 119.950 0.081 0.000 2.365 120 F HA -0.062 4.465 4.527 -0.000 0.000 0.300 120 F C 1.178 177.070 175.800 0.153 0.000 1.090 120 F CA 0.842 58.904 58.000 0.104 0.000 1.408 120 F CB 0.255 39.314 39.000 0.098 0.000 1.060 120 F HN -0.008 nan 8.300 nan 0.000 0.534 121 N N -0.528 118.356 118.700 0.307 0.000 2.433 121 N HA 0.071 4.811 4.740 -0.000 0.000 0.270 121 N C 1.354 176.926 175.510 0.103 0.000 1.354 121 N CA -0.032 53.181 53.050 0.273 0.000 0.889 121 N CB 0.431 39.122 38.487 0.340 0.000 1.285 121 N HN 0.057 nan 8.380 nan 0.000 0.503 122 R N 2.272 122.813 120.500 0.069 0.000 2.083 122 R HA -0.113 4.227 4.340 -0.000 0.000 0.237 122 R C 1.614 177.887 176.300 -0.045 0.000 1.137 122 R CA 1.795 57.896 56.100 0.001 0.000 0.951 122 R CB -0.230 30.070 30.300 0.000 0.000 0.851 122 R HN 0.172 nan 8.270 nan 0.000 0.434 123 E N -0.189 120.004 120.200 -0.011 0.000 2.130 123 E HA -0.229 4.121 4.350 -0.000 0.000 0.196 123 E C 1.974 178.501 176.600 -0.122 0.000 0.998 123 E CA 1.309 57.690 56.400 -0.032 0.000 0.806 123 E CB -0.739 28.980 29.700 0.032 0.000 0.738 123 E HN 0.421 nan 8.360 nan 0.000 0.459 124 F N 1.509 121.231 119.950 -0.379 0.000 2.118 124 F HA 0.010 4.537 4.527 -0.000 0.000 0.293 124 F C 2.285 177.740 175.800 -0.574 0.000 1.102 124 F CA 0.717 58.269 58.000 -0.746 0.000 1.247 124 F CB -0.414 37.658 39.000 -1.547 0.000 1.017 124 F HN -0.123 nan 8.300 nan 0.000 0.475 125 L N 0.214 121.135 121.223 -0.503 0.000 2.021 125 L HA -0.307 4.033 4.340 -0.000 0.000 0.215 125 L C 2.216 178.833 176.870 -0.422 0.000 1.074 125 L CA 1.857 56.422 54.840 -0.458 0.000 0.760 125 L CB -0.759 41.183 42.059 -0.194 0.000 0.889 125 L HN 0.175 nan 8.230 nan 0.000 0.433 126 D N -0.398 119.821 120.400 -0.302 0.000 2.097 126 D HA -0.187 4.453 4.640 -0.000 0.000 0.197 126 D C 2.064 178.207 176.300 -0.262 0.000 0.984 126 D CA 1.029 54.895 54.000 -0.224 0.000 0.826 126 D CB -0.067 40.650 40.800 -0.138 0.000 0.973 126 D HN 0.044 nan 8.370 nan 0.000 0.460 127 K N 0.381 120.589 120.400 -0.321 0.000 2.519 127 K HA -0.081 4.239 4.320 -0.000 0.000 0.196 127 K C 1.438 177.814 176.600 -0.374 0.000 1.041 127 K CA 0.311 56.438 56.287 -0.266 0.000 0.954 127 K CB -0.158 32.213 32.500 -0.215 0.000 0.774 127 K HN 0.028 nan 8.250 nan 0.000 0.480 128 L N 0.187 121.069 121.223 -0.568 0.000 2.640 128 L HA 0.290 4.630 4.340 -0.000 0.000 0.230 128 L C -0.485 176.201 176.870 -0.307 0.000 1.123 128 L CA 0.384 54.891 54.840 -0.555 0.000 0.900 128 L CB -0.016 41.489 42.059 -0.924 0.000 1.146 128 L HN 0.111 nan 8.230 nan 0.000 0.484 129 R N -0.750 119.605 120.500 -0.241 0.000 3.264 129 R HA -0.150 4.190 4.340 -0.000 0.000 0.251 129 R C -0.718 175.500 176.300 -0.137 0.000 0.971 129 R CA 0.814 56.822 56.100 -0.153 0.000 0.658 129 R CB -2.015 28.221 30.300 -0.106 0.000 1.095 129 R HN 0.170 nan 8.270 nan 0.000 0.443 130 V N 0.647 120.466 119.914 -0.158 0.000 2.932 130 V HA 0.407 4.527 4.120 -0.000 0.000 0.307 130 V C 0.247 176.279 176.094 -0.105 0.000 1.147 130 V CA -0.557 61.670 62.300 -0.122 0.000 0.951 130 V CB 1.923 33.667 31.823 -0.132 0.000 1.031 130 V HN 0.437 nan 8.190 nan 0.000 0.426 131 L N 5.225 126.407 121.223 -0.069 0.000 3.887 131 L HA -0.190 4.150 4.340 -0.000 0.000 0.546 131 L C 1.418 178.258 176.870 -0.049 0.000 1.196 131 L CA 1.173 55.983 54.840 -0.049 0.000 0.777 131 L CB -0.147 41.886 42.059 -0.043 0.000 1.346 131 L HN 1.103 nan 8.230 nan 0.000 0.810 132 S N -1.653 114.018 115.700 -0.047 0.000 2.489 132 S HA 0.079 4.549 4.470 -0.000 0.000 0.228 132 S C 0.749 175.337 174.600 -0.020 0.000 0.995 132 S CA 0.505 58.679 58.200 -0.043 0.000 0.934 132 S CB 0.175 63.349 63.200 -0.044 0.000 0.771 132 S HN 0.357 nan 8.310 nan 0.000 0.522 133 V N 4.285 124.192 119.914 -0.011 0.000 2.222 133 V HA 0.264 4.384 4.120 -0.000 0.000 0.253 133 V C 0.511 176.618 176.094 0.022 0.000 1.210 133 V CA -0.406 61.898 62.300 0.007 0.000 1.079 133 V CB -0.707 31.122 31.823 0.010 0.000 1.265 133 V HN 0.580 nan 8.190 nan 0.000 0.494 134 S N 4.352 120.069 115.700 0.027 0.000 2.589 134 S HA 0.104 4.574 4.470 -0.000 0.000 0.306 134 S C -0.972 173.680 174.600 0.087 0.000 1.221 134 S CA -0.739 57.489 58.200 0.047 0.000 1.159 134 S CB 0.266 63.494 63.200 0.046 0.000 0.990 134 S HN 0.518 nan 8.310 nan 0.000 0.514 135 P HA -0.303 nan 4.420 nan 0.000 0.235 135 P C 0.249 177.730 177.300 0.303 0.000 1.116 135 P CA 2.054 65.280 63.100 0.209 0.000 0.991 135 P CB -0.251 31.546 31.700 0.163 0.000 0.764 136 K N -3.354 117.213 120.400 0.278 0.000 5.502 136 K HA -0.278 4.042 4.320 -0.000 0.000 0.379 136 K C 0.578 177.302 176.600 0.207 0.000 0.908 136 K CA 0.107 56.527 56.287 0.222 0.000 1.130 136 K CB -1.217 31.358 32.500 0.124 0.000 1.893 136 K HN 0.051 nan 8.250 nan 0.000 0.379 137 Y N 2.331 122.647 120.300 0.027 0.000 2.097 137 Y HA -0.290 4.260 4.550 -0.000 0.000 0.282 137 Y C 2.340 178.112 175.900 -0.213 0.000 1.152 137 Y CA 2.498 60.384 58.100 -0.357 0.000 1.136 137 Y CB -0.536 37.693 38.460 -0.386 0.000 0.975 137 Y HN 0.729 nan 8.280 nan 0.000 0.498 138 S N -0.696 114.982 115.700 -0.035 0.000 2.440 138 S HA -0.213 4.257 4.470 -0.000 0.000 0.240 138 S C 1.637 176.193 174.600 -0.073 0.000 1.014 138 S CA 1.614 59.776 58.200 -0.063 0.000 0.980 138 S CB -0.533 62.701 63.200 0.056 0.000 0.775 138 S HN 0.491 nan 8.310 nan 0.000 0.499 139 D N 1.624 121.985 120.400 -0.066 0.000 2.123 139 D HA 0.068 4.708 4.640 -0.000 0.000 0.200 139 D C 1.581 177.820 176.300 -0.102 0.000 0.976 139 D CA 0.825 54.798 54.000 -0.045 0.000 0.831 139 D CB -0.342 40.456 40.800 -0.004 0.000 0.974 139 D HN 0.373 nan 8.370 nan 0.000 0.469 140 L N 0.248 121.353 121.223 -0.197 0.000 2.478 140 L HA 0.059 4.399 4.340 -0.000 0.000 0.223 140 L C 0.776 177.464 176.870 -0.304 0.000 1.140 140 L CA 0.384 55.087 54.840 -0.228 0.000 0.842 140 L CB -0.540 41.368 42.059 -0.253 0.000 0.953 140 L HN -0.014 nan 8.230 nan 0.000 0.452 141 L N -0.345 120.650 121.223 -0.380 0.000 2.439 141 L HA 0.196 4.536 4.340 -0.000 0.000 0.269 141 L C 0.028 176.725 176.870 -0.290 0.000 1.179 141 L CA 0.194 54.775 54.840 -0.432 0.000 0.828 141 L CB 0.333 42.079 42.059 -0.522 0.000 1.106 141 L HN 0.011 nan 8.230 nan 0.000 0.467 142 T N 1.530 115.869 114.554 -0.359 0.000 2.892 142 T HA 0.360 4.710 4.350 -0.000 0.000 0.311 142 T C -0.703 173.824 174.700 -0.288 0.000 1.033 142 T CA -0.499 61.482 62.100 -0.197 0.000 0.991 142 T CB 0.290 69.077 68.868 -0.136 0.000 0.981 142 T HN 0.105 nan 8.240 nan 0.000 0.457 143 Y N 2.052 122.301 120.300 -0.086 0.000 2.377 143 Y HA 0.484 5.034 4.550 -0.000 0.000 0.330 143 Y C 0.463 176.322 175.900 -0.068 0.000 1.108 143 Y CA -0.493 57.561 58.100 -0.076 0.000 1.308 143 Y CB 0.487 38.908 38.460 -0.064 0.000 1.216 143 Y HN 0.300 nan 8.280 nan 0.000 0.518 144 V N 3.050 122.965 119.914 0.002 0.000 2.971 144 V HA 0.250 4.370 4.120 -0.000 0.000 0.309 144 V C -0.998 175.054 176.094 -0.071 0.000 1.130 144 V CA -1.278 61.007 62.300 -0.025 0.000 0.964 144 V CB 2.438 34.225 31.823 -0.059 0.000 1.029 144 V HN 0.555 nan 8.190 nan 0.000 0.427 145 D N 2.702 123.063 120.400 -0.065 0.000 2.264 145 D HA 0.717 5.357 4.640 -0.000 0.000 0.250 145 D C -0.242 175.884 176.300 -0.290 0.000 1.113 145 D CA 0.326 54.221 54.000 -0.176 0.000 0.871 145 D CB 1.081 41.910 40.800 0.048 0.000 1.167 145 D HN 1.001 nan 8.370 nan 0.000 0.447 146 C N 0.507 119.352 119.300 -0.758 0.000 3.167 146 C HA 0.440 4.900 4.460 -0.000 0.000 0.348 146 C C -1.519 173.043 174.990 -0.714 0.000 1.394 146 C CA -1.260 57.446 59.018 -0.520 0.000 1.204 146 C CB -0.172 27.499 27.740 -0.115 0.000 1.467 146 C HN 0.490 nan 8.230 nan 0.000 0.446 147 Y N 0.571 120.840 120.300 -0.052 0.000 2.304 147 Y HA 0.613 5.163 4.550 -0.000 0.000 0.328 147 Y C 0.583 176.569 175.900 0.143 0.000 1.123 147 Y CA -0.252 57.897 58.100 0.082 0.000 1.218 147 Y CB 1.180 39.769 38.460 0.216 0.000 1.207 147 Y HN 0.595 nan 8.280 nan 0.000 0.495 148 V N 2.452 122.505 119.914 0.231 0.000 2.604 148 V HA 0.949 5.069 4.120 -0.000 0.000 0.305 148 V C 0.129 176.365 176.094 0.236 0.000 1.043 148 V CA -0.518 61.921 62.300 0.230 0.000 0.888 148 V CB 1.442 33.310 31.823 0.076 0.000 0.995 148 V HN 0.970 nan 8.190 nan 0.000 0.429 149 G N 2.254 111.252 108.800 0.331 0.000 2.355 149 G HA2 0.370 4.330 3.960 -0.000 0.000 0.296 149 G HA3 0.370 4.330 3.960 -0.000 0.000 0.296 149 G C -0.217 174.903 174.900 0.367 0.000 1.507 149 G CA -0.038 45.205 45.100 0.238 0.000 0.823 149 G HN 0.377 nan 8.290 nan 0.000 0.569 150 V N 0.253 120.296 119.914 0.215 0.000 2.591 150 V HA 0.133 4.253 4.120 -0.000 0.000 0.249 150 V C 1.739 177.997 176.094 0.272 0.000 1.053 150 V CA 2.187 64.618 62.300 0.218 0.000 1.068 150 V CB -0.055 31.837 31.823 0.115 0.000 0.689 150 V HN 1.075 nan 8.190 nan 0.000 0.462 151 S N -1.017 114.753 115.700 0.117 0.000 2.726 151 S HA 0.736 5.206 4.470 -0.000 0.000 0.308 151 S C 0.884 175.192 174.600 -0.486 0.000 1.115 151 S CA -0.028 58.145 58.200 -0.046 0.000 0.965 151 S CB 1.962 65.120 63.200 -0.070 0.000 1.145 151 S HN 0.190 nan 8.310 nan 0.000 0.532 152 A N 1.208 123.596 122.820 -0.719 0.000 1.854 152 A HA 0.029 4.349 4.320 -0.000 0.000 0.214 152 A C 2.220 179.463 177.584 -0.569 0.000 1.192 152 A CA 1.501 52.912 52.037 -1.044 0.000 0.611 152 A CB -1.143 17.413 19.000 -0.740 0.000 0.832 152 A HN 0.964 nan 8.150 nan 0.000 0.442 153 R N -0.279 120.021 120.500 -0.334 0.000 2.112 153 R HA -0.279 4.061 4.340 -0.000 0.000 0.242 153 R C 2.461 178.663 176.300 -0.163 0.000 1.137 153 R CA 2.350 58.328 56.100 -0.205 0.000 0.944 153 R CB -0.506 29.716 30.300 -0.131 0.000 0.857 153 R HN 0.708 nan 8.270 nan 0.000 0.435 154 Q N -0.252 119.463 119.800 -0.140 0.000 2.030 154 Q HA -0.222 4.118 4.340 -0.000 0.000 0.204 154 Q C 2.015 177.979 176.000 -0.061 0.000 0.986 154 Q CA 2.108 57.868 55.803 -0.071 0.000 0.843 154 Q CB -0.295 28.423 28.738 -0.034 0.000 0.904 154 Q HN 0.521 nan 8.270 nan 0.000 0.420 155 A N 1.046 123.779 122.820 -0.144 0.000 1.917 155 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 155 A C 2.043 179.645 177.584 0.030 0.000 1.182 155 A CA 1.554 53.549 52.037 -0.070 0.000 0.633 155 A CB -0.982 17.792 19.000 -0.376 0.000 0.819 155 A HN 0.533 nan 8.150 nan 0.000 0.448 156 L N 0.504 121.645 121.223 -0.136 0.000 2.089 156 L HA -0.179 4.161 4.340 -0.000 0.000 0.213 156 L C 0.885 177.805 176.870 0.083 0.000 1.079 156 L CA 2.051 56.819 54.840 -0.119 0.000 0.758 156 L CB -0.636 41.313 42.059 -0.184 0.000 0.891 156 L HN 0.477 nan 8.230 nan 0.000 0.433 157 N N -0.264 118.487 118.700 0.086 0.000 2.389 157 N HA 0.076 4.816 4.740 -0.000 0.000 0.260 157 N C -0.379 175.217 175.510 0.144 0.000 1.191 157 N CA 0.072 53.191 53.050 0.116 0.000 0.885 157 N CB 0.012 38.531 38.487 0.052 0.000 1.162 157 N HN 0.294 nan 8.380 nan 0.000 0.512 158 N N 0.744 119.573 118.700 0.214 0.000 2.722 158 N HA 0.117 4.857 4.740 -0.000 0.000 0.242 158 N C -1.658 173.957 175.510 0.174 0.000 1.398 158 N CA -0.426 52.723 53.050 0.165 0.000 0.755 158 N CB 0.183 38.734 38.487 0.106 0.000 1.268 158 N HN -0.018 nan 8.380 nan 0.000 0.522 159 F N 1.755 121.705 119.950 0.001 0.000 2.412 159 F HA 0.504 5.031 4.527 0.000 0.000 0.348 159 F C -0.225 175.515 175.800 -0.099 0.000 1.102 159 F CA 0.234 58.118 58.000 -0.194 0.000 1.196 159 F CB 0.779 39.564 39.000 -0.358 0.000 1.144 159 F HN 0.253 nan 8.300 nan 0.000 0.541 160 Q N 4.948 124.289 119.800 -0.765 0.000 2.397 160 Q HA 0.362 4.702 4.340 -0.000 0.000 0.275 160 Q C -1.272 174.439 176.000 -0.482 0.000 1.090 160 Q CA -1.042 54.521 55.803 -0.399 0.000 0.809 160 Q CB 2.613 31.214 28.738 -0.227 0.000 1.362 160 Q HN 0.639 nan 8.270 nan 0.000 0.431 161 K N 1.984 122.288 120.400 -0.160 0.000 2.185 161 K HA 0.268 4.588 4.320 -0.000 0.000 0.269 161 K C -0.542 176.043 176.600 -0.026 0.000 0.987 161 K CA -0.551 55.697 56.287 -0.066 0.000 0.865 161 K CB 1.007 33.531 32.500 0.041 0.000 1.090 161 K HN 0.378 nan 8.250 nan 0.000 0.450 162 Q N -0.133 119.670 119.800 0.004 0.000 2.459 162 Q HA -0.135 4.205 4.340 -0.000 0.000 0.314 162 Q C -0.934 175.152 176.000 0.144 0.000 1.432 162 Q CA 0.349 56.219 55.803 0.112 0.000 0.823 162 Q CB -1.941 26.853 28.738 0.094 0.000 1.124 162 Q HN 0.380 nan 8.270 nan 0.000 0.392 163 V N 1.570 121.490 119.914 0.009 0.000 2.406 163 V HA 0.268 4.388 4.120 -0.000 0.000 0.272 163 V C -1.790 174.177 176.094 -0.212 0.000 1.043 163 V CA -1.452 60.808 62.300 -0.067 0.000 0.915 163 V CB 1.404 33.159 31.823 -0.112 0.000 0.988 163 V HN 0.151 nan 8.190 nan 0.000 0.466 164 P HA 0.203 nan 4.420 nan 0.000 0.267 164 P C -0.741 176.320 177.300 -0.397 0.000 1.209 164 P CA 0.330 63.034 63.100 -0.660 0.000 0.763 164 P CB 0.663 32.083 31.700 -0.467 0.000 0.816 165 V N 5.429 125.096 119.914 -0.411 0.000 2.962 165 V HA 0.622 4.742 4.120 -0.000 0.000 0.313 165 V C -0.125 175.810 176.094 -0.267 0.000 1.099 165 V CA -0.701 61.437 62.300 -0.270 0.000 0.971 165 V CB 2.516 34.215 31.823 -0.207 0.000 1.028 165 V HN 0.454 nan 8.190 nan 0.000 0.430 166 I N 1.527 121.973 120.570 -0.206 0.000 2.882 166 I HA 0.519 4.689 4.170 -0.000 0.000 0.298 166 I C -0.323 175.714 176.117 -0.134 0.000 1.462 166 I CA -0.215 60.973 61.300 -0.187 0.000 1.000 166 I CB 2.848 40.710 38.000 -0.230 0.000 1.340 166 I HN 0.847 nan 8.210 nan 0.000 0.462 167 T N 2.299 116.787 114.554 -0.110 0.000 2.922 167 T HA 0.458 4.808 4.350 -0.000 0.000 0.285 167 T C -2.221 172.440 174.700 -0.064 0.000 1.005 167 T CA -1.568 60.482 62.100 -0.084 0.000 1.061 167 T CB 1.471 70.298 68.868 -0.069 0.000 1.007 167 T HN 0.339 nan 8.240 nan 0.000 0.502 168 P HA -0.135 nan 4.420 nan 0.000 0.215 168 P C 1.728 179.017 177.300 -0.017 0.000 1.163 168 P CA 1.426 64.507 63.100 -0.031 0.000 0.894 168 P CB -0.274 31.409 31.700 -0.028 0.000 0.791 169 T N -1.014 113.529 114.554 -0.019 0.000 2.737 169 T HA -0.212 4.138 4.350 -0.000 0.000 0.269 169 T C 1.893 176.594 174.700 0.001 0.000 1.040 169 T CA 1.462 63.558 62.100 -0.008 0.000 1.142 169 T CB -0.472 68.388 68.868 -0.013 0.000 0.861 169 T HN 0.151 nan 8.240 nan 0.000 0.456 170 R N 0.350 120.843 120.500 -0.012 0.000 2.093 170 R HA -0.053 4.287 4.340 -0.000 0.000 0.224 170 R C 2.563 178.883 176.300 0.033 0.000 1.101 170 R CA 1.126 57.225 56.100 -0.001 0.000 0.979 170 R CB -0.125 30.149 30.300 -0.043 0.000 0.877 170 R HN 0.237 nan 8.270 nan 0.000 0.441 171 Q N 0.033 119.838 119.800 0.009 0.000 2.050 171 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 171 Q C 1.632 177.684 176.000 0.088 0.000 0.980 171 Q CA 2.588 58.413 55.803 0.037 0.000 0.840 171 Q CB -0.398 28.329 28.738 -0.019 0.000 0.898 171 Q HN 0.229 nan 8.270 nan 0.000 0.424 172 T N 1.217 115.802 114.554 0.051 0.000 2.674 172 T HA -0.164 4.186 4.350 -0.000 0.000 0.265 172 T C 1.609 176.345 174.700 0.060 0.000 1.039 172 T CA 1.528 63.658 62.100 0.051 0.000 1.150 172 T CB -0.385 68.500 68.868 0.029 0.000 0.864 172 T HN 0.392 nan 8.240 nan 0.000 0.427 173 M N 0.361 119.998 119.600 0.061 0.000 2.144 173 M HA -0.177 4.303 4.480 -0.000 0.000 0.260 173 M C 2.157 178.512 176.300 0.090 0.000 1.067 173 M CA 1.847 57.182 55.300 0.060 0.000 1.095 173 M CB -0.597 32.035 32.600 0.053 0.000 1.365 173 M HN 0.386 nan 8.290 nan 0.000 0.406 174 Y N 1.029 121.338 120.300 0.015 0.000 2.089 174 Y HA -0.191 4.359 4.550 -0.000 0.000 0.282 174 Y C 2.121 178.045 175.900 0.041 0.000 1.139 174 Y CA 2.321 60.445 58.100 0.040 0.000 1.123 174 Y CB -0.899 37.607 38.460 0.076 0.000 0.980 174 Y HN 0.043 nan 8.280 nan 0.000 0.493 175 V N 0.973 120.841 119.914 -0.076 0.000 2.392 175 V HA -0.317 3.803 4.120 -0.000 0.000 0.249 175 V C 2.005 178.031 176.094 -0.113 0.000 1.059 175 V CA 2.250 64.473 62.300 -0.127 0.000 1.051 175 V CB -0.709 31.159 31.823 0.076 0.000 0.658 175 V HN 0.452 nan 8.190 nan 0.000 0.455 176 D N 0.214 120.582 120.400 -0.054 0.000 2.263 176 D HA -0.115 4.525 4.640 -0.000 0.000 0.208 176 D C 2.385 178.647 176.300 -0.063 0.000 0.971 176 D CA 1.656 55.633 54.000 -0.038 0.000 0.867 176 D CB 0.011 40.805 40.800 -0.011 0.000 0.929 176 D HN 0.641 nan 8.370 nan 0.000 0.492 177 S N 0.062 115.698 115.700 -0.107 0.000 2.395 177 S HA -0.025 4.445 4.470 -0.000 0.000 0.225 177 S C 2.195 176.719 174.600 -0.127 0.000 1.027 177 S CA 0.164 58.303 58.200 -0.101 0.000 0.965 177 S CB -0.327 62.818 63.200 -0.093 0.000 0.812 177 S HN 0.188 nan 8.310 nan 0.000 0.482 178 I N 1.350 121.791 120.570 -0.215 0.000 2.252 178 I HA -0.136 4.034 4.170 -0.000 0.000 0.245 178 I C 3.030 179.099 176.117 -0.081 0.000 1.102 178 I CA 1.128 62.328 61.300 -0.166 0.000 1.385 178 I CB -0.422 37.438 38.000 -0.233 0.000 1.064 178 I HN 0.348 nan 8.210 nan 0.000 0.414 179 Q N 0.742 120.500 119.800 -0.069 0.000 2.050 179 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 179 Q C 2.464 178.451 176.000 -0.022 0.000 0.980 179 Q CA 1.841 57.625 55.803 -0.032 0.000 0.840 179 Q CB -0.436 28.289 28.738 -0.021 0.000 0.898 179 Q HN 0.539 nan 8.270 nan 0.000 0.424 180 A N 1.140 123.943 122.820 -0.028 0.000 1.940 180 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 180 A C 2.317 179.893 177.584 -0.014 0.000 1.176 180 A CA 1.965 53.991 52.037 -0.018 0.000 0.631 180 A CB -0.610 18.377 19.000 -0.023 0.000 0.814 180 A HN 0.381 nan 8.150 nan 0.000 0.446 181 A N -0.210 122.597 122.820 -0.020 0.000 1.855 181 A HA -0.006 4.314 4.320 -0.000 0.000 0.215 181 A C 2.147 179.740 177.584 0.016 0.000 1.191 181 A CA 1.414 53.446 52.037 -0.009 0.000 0.613 181 A CB -0.650 18.341 19.000 -0.014 0.000 0.829 181 A HN 0.463 nan 8.150 nan 0.000 0.442 182 L N -0.508 120.723 121.223 0.014 0.000 2.079 182 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 182 L C 2.583 179.475 176.870 0.038 0.000 1.081 182 L CA 1.844 56.702 54.840 0.030 0.000 0.752 182 L CB -0.418 41.648 42.059 0.012 0.000 0.896 182 L HN 0.423 nan 8.230 nan 0.000 0.433 183 K N 0.882 121.297 120.400 0.024 0.000 2.147 183 K HA -0.135 4.184 4.320 -0.000 0.000 0.205 183 K C 1.920 178.547 176.600 0.045 0.000 1.049 183 K CA 1.609 57.913 56.287 0.028 0.000 0.936 183 K CB -0.247 32.262 32.500 0.015 0.000 0.722 183 K HN 0.225 nan 8.250 nan 0.000 0.446 184 A N 0.398 123.244 122.820 0.045 0.000 1.929 184 A HA 0.049 4.369 4.320 -0.000 0.000 0.216 184 A C 2.036 179.697 177.584 0.128 0.000 1.176 184 A CA 1.127 53.200 52.037 0.059 0.000 0.628 184 A CB -0.446 18.565 19.000 0.017 0.000 0.816 184 A HN 0.310 nan 8.150 nan 0.000 0.444 185 L N -0.662 120.644 121.223 0.138 0.000 2.478 185 L HA -0.074 4.266 4.340 -0.000 0.000 0.223 185 L C 2.083 179.066 176.870 0.188 0.000 1.140 185 L CA 0.689 55.661 54.840 0.219 0.000 0.842 185 L CB -0.449 41.734 42.059 0.206 0.000 0.953 185 L HN 0.553 nan 8.230 nan 0.000 0.452 186 E N 1.101 121.373 120.200 0.119 0.000 2.239 186 E HA -0.401 3.949 4.350 -0.000 0.000 0.240 186 E C 2.149 178.794 176.600 0.075 0.000 1.079 186 E CA 2.487 58.934 56.400 0.079 0.000 0.991 186 E CB -0.028 29.710 29.700 0.064 0.000 0.863 186 E HN 0.344 nan 8.360 nan 0.000 0.491 187 K N -0.114 120.344 120.400 0.098 0.000 2.031 187 K HA -0.149 4.171 4.320 -0.000 0.000 0.205 187 K C 2.183 178.815 176.600 0.054 0.000 1.049 187 K CA 1.095 57.424 56.287 0.071 0.000 0.939 187 K CB -0.485 32.069 32.500 0.090 0.000 0.717 187 K HN 0.464 nan 8.250 nan 0.000 0.438 188 W N 2.631 123.852 121.300 -0.132 0.000 2.308 188 W HA -0.294 4.366 4.660 -0.000 0.000 0.301 188 W C 1.522 177.925 176.519 -0.193 0.000 1.220 188 W CA 2.260 59.422 57.345 -0.304 0.000 1.240 188 W CB -0.104 28.984 29.460 -0.620 0.000 1.142 188 W HN 0.254 nan 8.180 nan 0.000 0.521 189 E N 0.704 120.892 120.200 -0.020 0.000 2.058 189 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 189 E C 2.078 178.582 176.600 -0.160 0.000 0.997 189 E CA 2.514 58.862 56.400 -0.086 0.000 0.801 189 E CB -0.906 28.799 29.700 0.009 0.000 0.746 189 E HN 0.387 nan 8.360 nan 0.000 0.450 190 I N 0.711 121.213 120.570 -0.114 0.000 2.193 190 I HA -0.215 3.955 4.170 -0.000 0.000 0.240 190 I C 1.800 177.823 176.117 -0.158 0.000 1.084 190 I CA 1.339 62.574 61.300 -0.108 0.000 1.365 190 I CB -0.384 37.579 38.000 -0.060 0.000 1.064 190 I HN 0.129 nan 8.210 nan 0.000 0.410 191 D N 0.766 121.050 120.400 -0.192 0.000 2.182 191 D HA -0.184 4.456 4.640 -0.000 0.000 0.201 191 D C 2.026 178.132 176.300 -0.322 0.000 0.986 191 D CA 1.222 55.087 54.000 -0.225 0.000 0.847 191 D CB -0.146 40.521 40.800 -0.223 0.000 0.942 191 D HN 0.182 nan 8.370 nan 0.000 0.467 192 L N 0.704 121.640 121.223 -0.478 0.000 2.156 192 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 192 L C 2.208 178.919 176.870 -0.264 0.000 1.095 192 L CA 1.341 55.884 54.840 -0.494 0.000 0.770 192 L CB -0.086 41.548 42.059 -0.707 0.000 0.914 192 L HN -0.173 nan 8.230 nan 0.000 0.439 193 R N -1.793 118.583 120.500 -0.206 0.000 2.090 193 R HA -0.036 4.304 4.340 -0.000 0.000 0.228 193 R C 2.110 178.348 176.300 -0.103 0.000 1.110 193 R CA 1.169 57.191 56.100 -0.130 0.000 0.973 193 R CB -0.351 29.884 30.300 -0.108 0.000 0.869 193 R HN 0.207 nan 8.270 nan 0.000 0.440 194 V N 1.006 120.853 119.914 -0.112 0.000 2.469 194 V HA -0.244 3.876 4.120 -0.000 0.000 0.251 194 V C 2.300 178.350 176.094 -0.074 0.000 1.064 194 V CA 2.011 64.261 62.300 -0.082 0.000 1.066 194 V CB -0.558 31.215 31.823 -0.083 0.000 0.667 194 V HN 0.407 nan 8.190 nan 0.000 0.461 195 A N -0.877 121.884 122.820 -0.099 0.000 1.968 195 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 195 A C 2.097 179.654 177.584 -0.045 0.000 1.169 195 A CA 1.154 53.146 52.037 -0.075 0.000 0.638 195 A CB -0.295 18.645 19.000 -0.101 0.000 0.812 195 A HN 0.626 nan 8.150 nan 0.000 0.446 196 Q N -0.568 119.201 119.800 -0.052 0.000 2.451 196 Q HA -0.023 4.317 4.340 -0.000 0.000 0.206 196 Q C 1.383 177.375 176.000 -0.013 0.000 0.947 196 Q CA 1.308 57.095 55.803 -0.027 0.000 0.937 196 Q CB 0.044 28.762 28.738 -0.034 0.000 1.025 196 Q HN 0.825 nan 8.270 nan 0.000 0.511 197 T N -3.270 111.273 114.554 -0.019 0.000 2.975 197 T HA 0.095 4.445 4.350 -0.000 0.000 0.261 197 T C 1.462 176.165 174.700 0.004 0.000 0.984 197 T CA -0.316 61.780 62.100 -0.007 0.000 0.911 197 T CB 0.053 68.909 68.868 -0.021 0.000 1.127 197 T HN 0.021 nan 8.240 nan 0.000 0.514 198 L N 1.878 123.102 121.223 0.002 0.000 2.042 198 L HA 0.324 4.664 4.340 -0.000 0.000 0.210 198 L C 0.659 177.564 176.870 0.059 0.000 1.076 198 L CA 1.464 56.313 54.840 0.016 0.000 0.749 198 L CB -0.364 41.694 42.059 -0.001 0.000 0.893 198 L HN 0.655 nan 8.230 nan 0.000 0.432 199 L N -4.943 116.327 121.223 0.078 0.000 2.350 199 L HA 0.634 4.974 4.340 -0.000 0.000 0.260 199 L C -2.562 174.382 176.870 0.123 0.000 1.015 199 L CA -2.085 52.861 54.840 0.177 0.000 0.821 199 L CB 1.056 43.225 42.059 0.183 0.000 1.370 199 L HN -0.334 nan 8.230 nan 0.000 0.416 200 P HA 0.110 nan 4.420 nan 0.000 0.261 200 P C -0.117 177.229 177.300 0.078 0.000 1.203 200 P CA 0.257 63.428 63.100 0.118 0.000 0.767 200 P CB 0.785 32.579 31.700 0.157 0.000 0.785 201 T N 1.441 116.026 114.554 0.051 0.000 3.040 201 T HA 0.150 4.500 4.350 -0.000 0.000 0.250 201 T C 0.470 175.185 174.700 0.025 0.000 1.058 201 T CA 0.421 62.538 62.100 0.028 0.000 0.988 201 T CB -0.140 68.738 68.868 0.017 0.000 0.993 201 T HN 0.363 nan 8.240 nan 0.000 0.519 202 N N -0.172 118.551 118.700 0.039 0.000 2.902 202 N HA 0.622 5.362 4.740 -0.000 0.000 0.268 202 N C -1.838 173.704 175.510 0.053 0.000 1.450 202 N CA -0.393 52.678 53.050 0.035 0.000 0.819 202 N CB 2.667 41.169 38.487 0.025 0.000 1.540 202 N HN -0.073 nan 8.380 nan 0.000 0.545 203 V N 1.505 121.446 119.914 0.045 0.000 2.891 203 V HA 0.291 4.411 4.120 -0.000 0.000 0.304 203 V C -1.754 174.364 176.094 0.040 0.000 1.171 203 V CA -1.340 60.995 62.300 0.059 0.000 0.943 203 V CB 2.140 33.998 31.823 0.059 0.000 1.037 203 V HN 0.531 nan 8.190 nan 0.000 0.427 204 P HA 0.052 nan 4.420 nan 0.000 0.216 204 P C 0.045 177.357 177.300 0.019 0.000 1.150 204 P CA 1.341 64.454 63.100 0.022 0.000 0.843 204 P CB 0.332 32.043 31.700 0.019 0.000 0.787 205 I N -4.239 116.347 120.570 0.025 0.000 2.908 205 I HA 0.482 4.652 4.170 -0.000 0.000 0.300 205 I C 0.172 176.303 176.117 0.023 0.000 1.385 205 I CA -0.224 61.088 61.300 0.020 0.000 1.004 205 I CB 1.542 39.553 38.000 0.017 0.000 1.309 205 I HN 0.283 nan 8.210 nan 0.000 0.449 206 G N 4.576 113.386 108.800 0.017 0.000 2.528 206 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.262 206 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.262 206 G C -0.551 174.357 174.900 0.013 0.000 1.200 206 G CA 0.588 45.697 45.100 0.015 0.000 0.951 206 G HN 1.003 nan 8.290 nan 0.000 0.566 207 E N -1.525 118.682 120.200 0.012 0.000 2.390 207 E HA 0.598 4.948 4.350 -0.000 0.000 0.277 207 E C -0.646 175.958 176.600 0.007 0.000 0.939 207 E CA -0.434 55.970 56.400 0.007 0.000 0.769 207 E CB 2.267 31.966 29.700 -0.002 0.000 1.251 207 E HN 1.657 nan 8.360 nan 0.000 0.450 208 V N -0.436 119.479 119.914 0.001 0.000 3.114 208 V HA 0.910 5.030 4.120 -0.000 0.000 0.308 208 V C -0.805 175.277 176.094 -0.020 0.000 1.168 208 V CA -0.297 62.001 62.300 -0.004 0.000 1.015 208 V CB 1.443 33.271 31.823 0.009 0.000 1.050 208 V HN 0.793 nan 8.190 nan 0.000 0.433 209 S N 0.626 116.308 115.700 -0.030 0.000 2.618 209 S HA 0.904 5.374 4.470 -0.000 0.000 0.277 209 S C -0.895 173.671 174.600 -0.055 0.000 1.138 209 S CA -0.349 57.825 58.200 -0.045 0.000 0.844 209 S CB 1.575 64.749 63.200 -0.044 0.000 1.127 209 S HN 2.415 nan 8.310 nan 0.000 0.474 210 C N 1.420 120.681 119.300 -0.064 0.000 3.247 210 C HA 0.635 5.095 4.460 -0.000 0.000 0.375 210 C C -3.063 171.886 174.990 -0.068 0.000 1.102 210 C CA -0.981 57.995 59.018 -0.071 0.000 1.227 210 C CB 0.563 28.252 27.740 -0.084 0.000 1.586 210 C HN 0.905 nan 8.230 nan 0.000 0.544 211 P HA 0.082 nan 4.420 nan 0.000 0.256 211 P C 0.832 178.107 177.300 -0.041 0.000 1.189 211 P CA 0.442 63.517 63.100 -0.042 0.000 0.808 211 P CB 0.307 31.992 31.700 -0.025 0.000 0.793 212 M N 3.864 123.429 119.600 -0.059 0.000 2.252 212 M HA -0.288 4.192 4.480 -0.000 0.000 0.257 212 M C 1.508 177.817 176.300 0.015 0.000 1.077 212 M CA 1.954 57.215 55.300 -0.064 0.000 1.066 212 M CB -0.556 31.965 32.600 -0.132 0.000 1.380 212 M HN 0.342 nan 8.290 nan 0.000 0.412 213 Q N -1.549 118.269 119.800 0.029 0.000 2.172 213 Q HA -0.087 4.253 4.340 -0.000 0.000 0.200 213 Q C 2.079 178.108 176.000 0.047 0.000 0.964 213 Q CA 1.669 57.507 55.803 0.058 0.000 0.855 213 Q CB -0.152 28.618 28.738 0.053 0.000 0.918 213 Q HN 0.551 nan 8.270 nan 0.000 0.444 214 S N 0.417 116.133 115.700 0.026 0.000 2.368 214 S HA -0.098 4.372 4.470 -0.000 0.000 0.224 214 S C 2.165 176.735 174.600 -0.051 0.000 1.029 214 S CA 0.926 59.145 58.200 0.033 0.000 0.988 214 S CB -0.139 63.073 63.200 0.020 0.000 0.838 214 S HN 0.132 nan 8.310 nan 0.000 0.462 215 V N 1.572 121.452 119.914 -0.057 0.000 2.295 215 V HA -0.142 3.978 4.120 -0.000 0.000 0.246 215 V C 2.304 178.359 176.094 -0.066 0.000 1.049 215 V CA 1.498 63.749 62.300 -0.082 0.000 1.024 215 V CB -0.721 31.075 31.823 -0.045 0.000 0.648 215 V HN 0.343 nan 8.190 nan 0.000 0.447 216 V N -0.434 119.488 119.914 0.013 0.000 2.515 216 V HA -0.194 3.926 4.120 -0.000 0.000 0.250 216 V C 2.564 178.647 176.094 -0.017 0.000 1.058 216 V CA 1.534 63.857 62.300 0.039 0.000 1.064 216 V CB -0.701 31.191 31.823 0.114 0.000 0.675 216 V HN 0.485 nan 8.190 nan 0.000 0.461 217 K N -0.137 120.251 120.400 -0.020 0.000 2.009 217 K HA -0.185 4.135 4.320 -0.000 0.000 0.210 217 K C 2.152 178.636 176.600 -0.194 0.000 1.049 217 K CA 1.435 57.729 56.287 0.012 0.000 0.929 217 K CB -0.777 31.823 32.500 0.168 0.000 0.714 217 K HN 0.341 nan 8.250 nan 0.000 0.440 218 L N 1.771 122.660 121.223 -0.557 0.000 1.989 218 L HA -0.166 4.174 4.340 -0.000 0.000 0.211 218 L C 2.247 178.896 176.870 -0.369 0.000 1.071 218 L CA 1.493 55.792 54.840 -0.901 0.000 0.749 218 L CB -0.718 40.852 42.059 -0.814 0.000 0.890 218 L HN 0.104 nan 8.230 nan 0.000 0.431 219 L N -0.447 120.653 121.223 -0.205 0.000 2.013 219 L HA -0.277 4.063 4.340 -0.000 0.000 0.212 219 L C 2.393 179.224 176.870 -0.064 0.000 1.073 219 L CA 1.847 56.627 54.840 -0.099 0.000 0.753 219 L CB -0.867 41.163 42.059 -0.049 0.000 0.890 219 L HN 0.400 nan 8.230 nan 0.000 0.432 220 D N -0.200 120.172 120.400 -0.047 0.000 2.182 220 D HA -0.255 4.385 4.640 -0.000 0.000 0.201 220 D C 1.751 178.058 176.300 0.012 0.000 0.986 220 D CA 1.366 55.362 54.000 -0.006 0.000 0.847 220 D CB 0.024 40.833 40.800 0.016 0.000 0.942 220 D HN 0.286 nan 8.370 nan 0.000 0.467 221 D N -1.599 118.807 120.400 0.010 0.000 2.289 221 D HA -0.040 4.600 4.640 -0.000 0.000 0.207 221 D C 1.574 177.901 176.300 0.045 0.000 0.966 221 D CA 0.780 54.825 54.000 0.075 0.000 0.868 221 D CB 0.238 41.174 40.800 0.227 0.000 0.943 221 D HN 0.088 nan 8.370 nan 0.000 0.514 222 Q N -0.555 119.241 119.800 -0.006 0.000 2.369 222 Q HA 0.211 4.551 4.340 -0.000 0.000 0.254 222 Q C 0.522 176.519 176.000 -0.006 0.000 0.858 222 Q CA -0.128 55.675 55.803 0.000 0.000 0.961 222 Q CB 0.700 29.430 28.738 -0.013 0.000 1.119 222 Q HN 0.306 nan 8.270 nan 0.000 0.538 223 L N 3.399 124.612 121.223 -0.017 0.000 2.506 223 L HA 0.025 4.365 4.340 -0.000 0.000 0.281 223 L C -1.927 174.939 176.870 -0.007 0.000 1.228 223 L CA -1.206 53.623 54.840 -0.018 0.000 0.850 223 L CB -0.286 41.758 42.059 -0.025 0.000 1.110 223 L HN -0.117 nan 8.230 nan 0.000 0.496 224 P HA -0.014 nan 4.420 nan 0.000 0.266 224 P C 0.003 177.306 177.300 0.005 0.000 1.195 224 P CA -0.178 62.922 63.100 -0.001 0.000 0.768 224 P CB 0.496 32.193 31.700 -0.005 0.000 0.838 225 D N 1.708 122.114 120.400 0.010 0.000 2.133 225 D HA -0.194 4.446 4.640 -0.000 0.000 0.192 225 D C 1.102 177.414 176.300 0.020 0.000 1.001 225 D CA 1.541 55.549 54.000 0.014 0.000 0.844 225 D CB -0.407 40.402 40.800 0.015 0.000 0.944 225 D HN 0.584 nan 8.370 nan 0.000 0.447 226 D N 0.256 120.670 120.400 0.023 0.000 2.352 226 D HA -0.063 4.577 4.640 -0.000 0.000 0.232 226 D C 0.369 176.695 176.300 0.044 0.000 1.055 226 D CA 0.048 54.069 54.000 0.036 0.000 0.891 226 D CB -0.185 40.635 40.800 0.034 0.000 0.897 226 D HN -0.133 nan 8.370 nan 0.000 0.529 227 S N 0.335 116.051 115.700 0.028 0.000 2.549 227 S HA 0.068 4.538 4.470 -0.000 0.000 0.286 227 S C 1.422 176.065 174.600 0.072 0.000 1.314 227 S CA -0.605 57.607 58.200 0.019 0.000 1.062 227 S CB 0.530 63.722 63.200 -0.014 0.000 0.865 227 S HN 0.234 nan 8.310 nan 0.000 0.498 228 L N 5.398 126.684 121.223 0.106 0.000 2.362 228 L HA -0.036 4.304 4.340 -0.000 0.000 0.219 228 L C 1.966 179.027 176.870 0.317 0.000 1.134 228 L CA 0.699 55.709 54.840 0.283 0.000 0.807 228 L CB -0.323 41.953 42.059 0.363 0.000 0.927 228 L HN 0.751 nan 8.230 nan 0.000 0.447 229 I N -0.446 120.180 120.570 0.093 0.000 2.361 229 I HA -0.281 3.889 4.170 -0.000 0.000 0.251 229 I C 2.489 178.664 176.117 0.096 0.000 1.133 229 I CA 1.182 62.521 61.300 0.064 0.000 1.413 229 I CB -0.290 37.663 38.000 -0.080 0.000 1.073 229 I HN 0.241 nan 8.210 nan 0.000 0.424 230 R N 0.231 120.770 120.500 0.065 0.000 2.189 230 R HA -0.070 4.270 4.340 -0.000 0.000 0.223 230 R C 2.220 178.524 176.300 0.007 0.000 1.092 230 R CA 0.817 56.934 56.100 0.030 0.000 0.989 230 R CB -0.132 30.179 30.300 0.018 0.000 0.876 230 R HN 0.313 nan 8.270 nan 0.000 0.457 231 R N -0.914 119.603 120.500 0.028 0.000 2.223 231 R HA 0.050 4.390 4.340 -0.000 0.000 0.198 231 R C -0.092 175.935 176.300 -0.455 0.000 0.984 231 R CA 0.650 56.632 56.100 -0.198 0.000 1.018 231 R CB 0.620 30.800 30.300 -0.200 0.000 0.945 231 R HN 0.149 nan 8.270 nan 0.000 0.479 232 Y N -1.603 118.799 120.300 0.170 0.000 2.558 232 Y HA 0.293 4.843 4.550 -0.000 0.000 0.316 232 Y C -2.137 173.857 175.900 0.157 0.000 0.967 232 Y CA -2.159 56.051 58.100 0.183 0.000 1.126 232 Y CB 1.177 39.812 38.460 0.292 0.000 1.155 232 Y HN -0.038 nan 8.280 nan 0.000 0.628 233 P HA -0.244 nan 4.420 nan 0.000 0.216 233 P C 1.216 178.491 177.300 -0.042 0.000 1.157 233 P CA 2.133 65.250 63.100 0.028 0.000 0.880 233 P CB 0.380 32.059 31.700 -0.036 0.000 0.791 234 K N -0.681 119.696 120.400 -0.038 0.000 2.097 234 K HA -0.155 4.165 4.320 -0.000 0.000 0.205 234 K C 2.017 178.604 176.600 -0.021 0.000 1.050 234 K CA 1.371 57.590 56.287 -0.113 0.000 0.938 234 K CB -0.358 32.102 32.500 -0.066 0.000 0.718 234 K HN 0.149 nan 8.250 nan 0.000 0.442 235 E N 0.889 121.177 120.200 0.147 0.000 2.106 235 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 235 E C 1.907 178.729 176.600 0.370 0.000 0.984 235 E CA 1.173 57.708 56.400 0.226 0.000 0.806 235 E CB -0.199 29.641 29.700 0.233 0.000 0.750 235 E HN 0.325 nan 8.360 nan 0.000 0.458 236 A N 1.008 124.084 122.820 0.427 0.000 1.933 236 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 236 A C 2.340 179.994 177.584 0.116 0.000 1.175 236 A CA 1.752 53.946 52.037 0.262 0.000 0.628 236 A CB -0.806 18.233 19.000 0.066 0.000 0.814 236 A HN 0.284 nan 8.150 nan 0.000 0.444 237 A N -0.316 122.463 122.820 -0.067 0.000 1.865 237 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 237 A C 2.243 179.894 177.584 0.112 0.000 1.191 237 A CA 1.999 53.869 52.037 -0.277 0.000 0.623 237 A CB -1.132 17.096 19.000 -1.288 0.000 0.826 237 A HN 0.447 nan 8.150 nan 0.000 0.444 238 V N 0.058 120.008 119.914 0.059 0.000 2.255 238 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 238 V C 3.072 179.299 176.094 0.221 0.000 1.051 238 V CA 2.104 64.502 62.300 0.163 0.000 1.018 238 V CB -1.588 30.303 31.823 0.113 0.000 0.641 238 V HN 0.646 nan 8.190 nan 0.000 0.445 239 A N 0.068 123.043 122.820 0.258 0.000 1.903 239 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 239 A C 2.246 179.980 177.584 0.250 0.000 1.191 239 A CA 2.435 54.653 52.037 0.301 0.000 0.638 239 A CB -0.692 18.558 19.000 0.416 0.000 0.823 239 A HN 0.520 nan 8.150 nan 0.000 0.451 240 L N -1.160 120.199 121.223 0.227 0.000 2.005 240 L HA -0.176 4.164 4.340 -0.000 0.000 0.207 240 L C 3.136 180.136 176.870 0.216 0.000 1.072 240 L CA 1.162 56.125 54.840 0.205 0.000 0.744 240 L CB -0.788 41.411 42.059 0.233 0.000 0.895 240 L HN 0.441 nan 8.230 nan 0.000 0.433 241 A N -0.348 122.644 122.820 0.287 0.000 1.986 241 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 241 A C 2.253 179.925 177.584 0.148 0.000 1.171 241 A CA 1.545 53.707 52.037 0.209 0.000 0.640 241 A CB -0.359 18.828 19.000 0.312 0.000 0.811 241 A HN 0.207 nan 8.150 nan 0.000 0.451 242 K N -0.354 120.140 120.400 0.158 0.000 2.283 242 K HA -0.107 4.213 4.320 -0.000 0.000 0.202 242 K C 1.795 178.485 176.600 0.150 0.000 1.048 242 K CA 1.538 57.875 56.287 0.083 0.000 0.948 242 K CB -0.118 32.400 32.500 0.031 0.000 0.742 242 K HN 0.864 nan 8.250 nan 0.000 0.458 243 R N -1.357 119.291 120.500 0.246 0.000 2.487 243 R HA 0.174 4.514 4.340 -0.000 0.000 0.272 243 R C 0.287 176.682 176.300 0.159 0.000 0.928 243 R CA -0.213 56.069 56.100 0.303 0.000 1.077 243 R CB 0.242 30.752 30.300 0.350 0.000 1.265 243 R HN -0.163 nan 8.270 nan 0.000 0.537 244 N N 0.959 119.727 118.700 0.112 0.000 2.573 244 N HA 0.143 4.883 4.740 -0.000 0.000 0.262 244 N C 0.275 175.805 175.510 0.032 0.000 1.029 244 N CA -0.101 52.985 53.050 0.061 0.000 0.882 244 N CB 1.847 40.360 38.487 0.043 0.000 1.204 244 N HN 0.287 nan 8.380 nan 0.000 0.519 245 G N 1.577 110.393 108.800 0.027 0.000 2.501 245 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.220 245 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.220 245 G C 1.167 176.052 174.900 -0.024 0.000 1.114 245 G CA 0.939 46.043 45.100 0.006 0.000 0.757 245 G HN 0.567 nan 8.290 nan 0.000 0.559 246 G N -0.162 108.621 108.800 -0.030 0.000 2.712 246 G HA2 0.229 4.189 3.960 -0.000 0.000 0.212 246 G HA3 0.229 4.189 3.960 -0.000 0.000 0.212 246 G C 0.517 175.350 174.900 -0.113 0.000 1.142 246 G CA -0.255 44.810 45.100 -0.057 0.000 0.789 246 G HN 0.406 nan 8.290 nan 0.000 0.535 247 I N 1.211 121.705 120.570 -0.126 0.000 2.330 247 I HA 0.291 4.461 4.170 -0.000 0.000 0.286 247 I C -0.707 175.200 176.117 -0.351 0.000 1.025 247 I CA -0.286 60.858 61.300 -0.260 0.000 1.197 247 I CB 1.392 39.299 38.000 -0.155 0.000 1.358 247 I HN 0.041 nan 8.210 nan 0.000 0.467 248 Q N 5.625 125.127 119.800 -0.497 0.000 2.337 248 Q HA 0.382 4.722 4.340 -0.000 0.000 0.270 248 Q C -1.742 173.926 176.000 -0.553 0.000 1.043 248 Q CA -0.722 54.847 55.803 -0.389 0.000 0.794 248 Q CB 2.462 31.093 28.738 -0.179 0.000 1.281 248 Q HN 0.462 nan 8.270 nan 0.000 0.446 249 W N 3.396 124.708 121.300 0.020 0.000 2.349 249 W HA 0.429 5.089 4.660 -0.000 0.000 0.309 249 W C 0.157 176.686 176.519 0.018 0.000 1.083 249 W CA -0.695 56.662 57.345 0.021 0.000 1.224 249 W CB 0.918 30.395 29.460 0.029 0.000 1.256 249 W HN 0.424 nan 8.180 nan 0.000 0.461 250 M N 3.836 123.558 119.600 0.204 0.000 2.248 250 M HA -0.008 4.472 4.480 -0.000 0.000 0.345 250 M C 0.229 176.610 176.300 0.135 0.000 1.243 250 M CA 0.347 55.723 55.300 0.127 0.000 1.090 250 M CB 0.479 33.132 32.600 0.088 0.000 1.683 250 M HN 0.343 nan 8.290 nan 0.000 0.450 251 D N 4.217 124.673 120.400 0.094 0.000 2.338 251 D HA 0.114 4.754 4.640 -0.000 0.000 0.255 251 D C 0.916 177.252 176.300 0.060 0.000 1.237 251 D CA -0.284 53.762 54.000 0.076 0.000 0.883 251 D CB 0.962 41.797 40.800 0.058 0.000 1.087 251 D HN 0.507 nan 8.370 nan 0.000 0.485 252 V N 3.550 123.499 119.914 0.058 0.000 2.392 252 V HA -0.252 3.868 4.120 -0.000 0.000 0.249 252 V C 2.384 178.498 176.094 0.034 0.000 1.059 252 V CA 1.757 64.084 62.300 0.045 0.000 1.051 252 V CB -0.696 31.150 31.823 0.038 0.000 0.658 252 V HN 0.498 nan 8.190 nan 0.000 0.455 253 S N 0.374 116.092 115.700 0.031 0.000 2.363 253 S HA -0.207 4.263 4.470 -0.000 0.000 0.218 253 S C 1.625 176.239 174.600 0.023 0.000 1.035 253 S CA 1.815 60.030 58.200 0.024 0.000 1.043 253 S CB -0.308 62.905 63.200 0.022 0.000 0.986 253 S HN 0.673 nan 8.310 nan 0.000 0.423 254 E N 0.282 120.497 120.200 0.025 0.000 2.394 254 E HA 0.362 4.712 4.350 -0.000 0.000 0.191 254 E C 0.969 177.582 176.600 0.023 0.000 1.044 254 E CA 0.240 56.653 56.400 0.021 0.000 0.939 254 E CB -0.194 29.518 29.700 0.019 0.000 1.089 254 E HN 0.495 nan 8.360 nan 0.000 0.456 255 G N 1.590 110.406 108.800 0.027 0.000 2.280 255 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.282 255 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.282 255 G C 0.593 175.509 174.900 0.025 0.000 1.000 255 G CA 1.146 46.262 45.100 0.027 0.000 0.751 255 G HN 0.422 nan 8.290 nan 0.000 0.515 256 T N -2.510 112.061 114.554 0.028 0.000 2.909 256 T HA 0.673 5.023 4.350 -0.000 0.000 0.289 256 T C -0.244 174.474 174.700 0.031 0.000 1.005 256 T CA -0.399 61.716 62.100 0.025 0.000 1.084 256 T CB 2.889 71.772 68.868 0.024 0.000 0.975 256 T HN 0.828 nan 8.240 nan 0.000 0.509 257 V N 3.985 123.912 119.914 0.021 0.000 2.777 257 V HA 0.724 4.844 4.120 -0.000 0.000 0.306 257 V C -0.295 175.802 176.094 0.005 0.000 1.112 257 V CA -0.936 61.374 62.300 0.016 0.000 0.917 257 V CB 1.333 33.156 31.823 -0.001 0.000 1.018 257 V HN 1.230 nan 8.190 nan 0.000 0.426 258 M N 1.613 121.216 119.600 0.006 0.000 2.833 258 M HA 0.590 5.070 4.480 -0.000 0.000 0.270 258 M C -1.030 175.269 176.300 -0.001 0.000 1.209 258 M CA -0.685 54.614 55.300 -0.001 0.000 0.826 258 M CB 1.893 34.497 32.600 0.007 0.000 1.657 258 M HN 0.420 nan 8.290 nan 0.000 0.492 259 N N 1.567 120.264 118.700 -0.005 0.000 2.414 259 N HA 0.005 4.745 4.740 -0.000 0.000 0.268 259 N C -0.396 175.122 175.510 0.013 0.000 1.286 259 N CA 0.647 53.696 53.050 -0.002 0.000 0.896 259 N CB 0.639 39.125 38.487 -0.001 0.000 1.093 259 N HN 0.687 nan 8.380 nan 0.000 0.480 260 E N 1.591 121.806 120.200 0.025 0.000 2.498 260 E HA 0.125 4.475 4.350 -0.000 0.000 0.203 260 E C 0.119 176.735 176.600 0.026 0.000 1.013 260 E CA -0.202 56.220 56.400 0.036 0.000 0.927 260 E CB 0.333 30.078 29.700 0.074 0.000 1.012 260 E HN 0.628 nan 8.360 nan 0.000 0.482 261 A N 1.359 124.197 122.820 0.030 0.000 2.483 261 A HA 0.160 4.480 4.320 -0.000 0.000 0.238 261 A C 1.209 178.799 177.584 0.011 0.000 1.070 261 A CA 0.203 52.262 52.037 0.037 0.000 0.770 261 A CB 0.395 19.427 19.000 0.052 0.000 1.008 261 A HN 0.090 nan 8.150 nan 0.000 0.497 262 V N -0.827 119.085 119.914 -0.003 0.000 3.319 262 V HA 0.217 4.337 4.120 -0.000 0.000 0.317 262 V C 0.269 176.391 176.094 0.047 0.000 1.411 262 V CA 0.593 62.875 62.300 -0.030 0.000 1.112 262 V CB -0.962 30.758 31.823 -0.171 0.000 1.031 262 V HN 0.880 nan 8.190 nan 0.000 0.448 263 N N 0.326 119.081 118.700 0.091 0.000 2.416 263 N HA 0.466 5.206 4.740 -0.000 0.000 0.267 263 N C 1.088 176.638 175.510 0.066 0.000 1.294 263 N CA 0.312 53.427 53.050 0.108 0.000 0.891 263 N CB 0.729 39.314 38.487 0.163 0.000 1.238 263 N HN 0.295 nan 8.380 nan 0.000 0.508 264 A N 0.285 123.132 122.820 0.046 0.000 1.908 264 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 264 A C 1.965 179.566 177.584 0.029 0.000 1.181 264 A CA 1.862 53.918 52.037 0.032 0.000 0.627 264 A CB -0.812 18.201 19.000 0.023 0.000 0.818 264 A HN 0.160 nan 8.150 nan 0.000 0.445 265 V N -0.064 119.868 119.914 0.029 0.000 2.255 265 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 265 V C 3.050 179.159 176.094 0.024 0.000 1.051 265 V CA 2.090 64.404 62.300 0.024 0.000 1.018 265 V CB -1.531 30.307 31.823 0.024 0.000 0.641 265 V HN 0.634 nan 8.190 nan 0.000 0.445 266 A N 0.315 123.154 122.820 0.032 0.000 1.865 266 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 266 A C 2.444 180.041 177.584 0.021 0.000 1.191 266 A CA 2.465 54.518 52.037 0.027 0.000 0.623 266 A CB -1.062 17.960 19.000 0.037 0.000 0.826 266 A HN 0.639 nan 8.150 nan 0.000 0.444 267 A N 0.274 123.109 122.820 0.026 0.000 2.024 267 A HA -0.109 4.211 4.320 -0.000 0.000 0.220 267 A C 2.426 180.019 177.584 0.015 0.000 1.164 267 A CA 2.335 54.384 52.037 0.020 0.000 0.643 267 A CB -1.018 17.997 19.000 0.025 0.000 0.806 267 A HN 1.132 nan 8.150 nan 0.000 0.451 268 S N -0.188 115.521 115.700 0.015 0.000 2.419 268 S HA 0.074 4.544 4.470 -0.000 0.000 0.233 268 S C 1.832 176.437 174.600 0.009 0.000 1.016 268 S CA 1.198 59.405 58.200 0.011 0.000 0.974 268 S CB -0.449 62.757 63.200 0.011 0.000 0.786 268 S HN 0.898 nan 8.310 nan 0.000 0.492 269 A N 1.023 123.848 122.820 0.008 0.000 2.132 269 A HA 0.464 4.784 4.320 -0.000 0.000 0.213 269 A C 1.954 179.540 177.584 0.003 0.000 1.154 269 A CA 0.331 52.372 52.037 0.005 0.000 0.753 269 A CB -0.394 18.609 19.000 0.005 0.000 0.826 269 A HN 0.560 nan 8.150 nan 0.000 0.469 270 L N -0.821 120.404 121.223 0.004 0.000 2.607 270 L HA 0.329 4.669 4.340 -0.000 0.000 0.228 270 L C 0.930 177.801 176.870 0.003 0.000 1.123 270 L CA 0.035 54.876 54.840 0.002 0.000 0.890 270 L CB -0.122 41.938 42.059 0.001 0.000 1.103 270 L HN 0.329 nan 8.230 nan 0.000 0.468 271 A N 0.377 123.200 122.820 0.004 0.000 2.320 271 A HA 0.762 5.082 4.320 -0.000 0.000 0.334 271 A C -2.538 175.048 177.584 0.004 0.000 1.147 271 A CA -1.464 50.576 52.037 0.005 0.000 0.820 271 A CB 0.698 19.702 19.000 0.007 0.000 1.218 271 A HN -0.139 nan 8.150 nan 0.000 0.482 272 P HA 0.347 nan 4.420 nan 0.000 0.281 272 P C -0.105 177.197 177.300 0.004 0.000 1.249 272 P CA -0.272 62.830 63.100 0.003 0.000 0.810 272 P CB 1.341 33.043 31.700 0.003 0.000 1.008 273 S N 0.534 116.236 115.700 0.003 0.000 2.738 273 S HA 0.561 5.031 4.470 -0.000 0.000 0.284 273 S C 1.418 176.020 174.600 0.004 0.000 1.146 273 S CA -0.072 58.131 58.200 0.004 0.000 0.997 273 S CB 0.608 63.810 63.200 0.003 0.000 1.081 273 S HN 0.393 nan 8.310 nan 0.000 0.553 274 A N 0.749 123.571 122.820 0.004 0.000 2.084 274 A HA -0.000 4.320 4.320 -0.000 0.000 0.221 274 A C 1.725 179.311 177.584 0.003 0.000 1.161 274 A CA 1.873 53.912 52.037 0.004 0.000 0.653 274 A CB -1.062 17.940 19.000 0.004 0.000 0.802 274 A HN 1.607 nan 8.150 nan 0.000 0.457 275 S N -3.662 112.039 115.700 0.002 0.000 3.067 275 S HA 0.659 5.129 4.470 -0.000 0.000 0.253 275 S C -0.053 174.547 174.600 0.001 0.000 0.942 275 S CA 0.256 58.457 58.200 0.002 0.000 1.197 275 S CB -0.302 62.899 63.200 0.002 0.000 1.143 275 S HN 1.344 nan 8.310 nan 0.000 0.638 276 A N 1.571 124.392 122.820 0.001 0.000 2.486 276 A HA 0.916 5.236 4.320 -0.000 0.000 0.300 276 A C -3.357 174.226 177.584 -0.001 0.000 1.048 276 A CA -1.837 50.200 52.037 -0.000 0.000 0.696 276 A CB 1.131 20.132 19.000 0.001 0.000 1.278 276 A HN 0.181 nan 8.150 nan 0.000 0.405 277 P HA 0.390 nan 4.420 nan 0.000 0.274 277 P C -2.598 174.700 177.300 -0.002 0.000 1.256 277 P CA -1.201 61.897 63.100 -0.003 0.000 0.795 277 P CB -0.202 31.495 31.700 -0.006 0.000 1.038 278 P HA 0.024 nan 4.420 nan 0.000 0.265 278 P C 0.771 178.070 177.300 -0.002 0.000 1.187 278 P CA 0.488 63.587 63.100 -0.001 0.000 0.766 278 P CB 0.224 31.922 31.700 -0.003 0.000 0.820 279 L N 1.794 123.017 121.223 -0.000 0.000 2.093 279 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 279 L C 2.315 179.184 176.870 -0.001 0.000 1.085 279 L CA 1.462 56.302 54.840 0.000 0.000 0.755 279 L CB -0.513 41.547 42.059 0.002 0.000 0.904 279 L HN 0.518 nan 8.230 nan 0.000 0.435 280 E N 0.467 120.666 120.200 -0.002 0.000 2.110 280 E HA -0.281 4.069 4.350 -0.000 0.000 0.193 280 E C 1.930 178.527 176.600 -0.006 0.000 0.988 280 E CA 1.472 57.870 56.400 -0.003 0.000 0.804 280 E CB 0.144 29.841 29.700 -0.004 0.000 0.745 280 E HN 0.546 nan 8.360 nan 0.000 0.458 281 E N 0.493 120.689 120.200 -0.006 0.000 2.028 281 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 281 E C 2.119 178.715 176.600 -0.007 0.000 0.988 281 E CA 1.090 57.484 56.400 -0.009 0.000 0.799 281 E CB 0.085 29.779 29.700 -0.010 0.000 0.755 281 E HN 0.112 nan 8.360 nan 0.000 0.447 282 K N 0.271 120.668 120.400 -0.005 0.000 2.063 282 K HA -0.158 4.162 4.320 -0.000 0.000 0.208 282 K C 2.436 179.034 176.600 -0.003 0.000 1.048 282 K CA 1.369 57.654 56.287 -0.004 0.000 0.928 282 K CB -0.280 32.218 32.500 -0.003 0.000 0.713 282 K HN 0.027 nan 8.250 nan 0.000 0.442 283 S N 1.165 116.863 115.700 -0.003 0.000 2.345 283 S HA -0.191 4.279 4.470 -0.000 0.000 0.220 283 S C 2.001 176.599 174.600 -0.003 0.000 1.031 283 S CA 1.687 59.886 58.200 -0.001 0.000 0.996 283 S CB -0.096 63.104 63.200 -0.001 0.000 0.882 283 S HN 0.162 nan 8.310 nan 0.000 0.445 284 K N 1.014 121.411 120.400 -0.005 0.000 1.991 284 K HA -0.004 4.316 4.320 -0.000 0.000 0.212 284 K C 2.117 178.713 176.600 -0.007 0.000 1.049 284 K CA 1.828 58.111 56.287 -0.007 0.000 0.932 284 K CB -0.735 31.760 32.500 -0.010 0.000 0.717 284 K HN 0.442 nan 8.250 nan 0.000 0.441 285 L N 0.136 121.355 121.223 -0.008 0.000 2.013 285 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 285 L C 2.349 179.216 176.870 -0.005 0.000 1.073 285 L CA 1.987 56.822 54.840 -0.008 0.000 0.753 285 L CB -0.877 41.176 42.059 -0.009 0.000 0.890 285 L HN 0.338 nan 8.230 nan 0.000 0.432 286 T N -1.212 113.340 114.554 -0.003 0.000 2.833 286 T HA -0.232 4.118 4.350 -0.000 0.000 0.269 286 T C 1.782 176.482 174.700 -0.000 0.000 1.054 286 T CA 1.399 63.499 62.100 -0.001 0.000 1.135 286 T CB -0.128 68.740 68.868 0.000 0.000 0.869 286 T HN 0.384 nan 8.240 nan 0.000 0.466 287 E N 0.937 121.136 120.200 -0.001 0.000 2.072 287 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 287 E C 2.189 178.788 176.600 -0.002 0.000 0.985 287 E CA 0.880 57.279 56.400 -0.001 0.000 0.801 287 E CB -0.001 29.698 29.700 -0.002 0.000 0.750 287 E HN 0.569 nan 8.360 nan 0.000 0.452 288 Q N -0.380 119.418 119.800 -0.004 0.000 2.291 288 Q HA -0.078 4.262 4.340 -0.000 0.000 0.205 288 Q C 1.988 177.987 176.000 -0.002 0.000 0.970 288 Q CA 0.934 56.734 55.803 -0.005 0.000 0.876 288 Q CB 0.069 28.802 28.738 -0.008 0.000 0.935 288 Q HN 0.268 nan 8.270 nan 0.000 0.455 289 A N 0.779 123.599 122.820 0.001 0.000 1.898 289 A HA -0.079 4.241 4.320 -0.000 0.000 0.214 289 A C 2.036 179.625 177.584 0.007 0.000 1.183 289 A CA 0.824 52.864 52.037 0.005 0.000 0.622 289 A CB -0.273 18.731 19.000 0.007 0.000 0.824 289 A HN 0.229 nan 8.150 nan 0.000 0.444 290 M N -0.336 119.267 119.600 0.004 0.000 2.175 290 M HA -0.116 4.364 4.480 -0.000 0.000 0.264 290 M C 1.185 177.487 176.300 0.004 0.000 1.063 290 M CA 1.287 56.589 55.300 0.004 0.000 1.119 290 M CB -0.599 32.002 32.600 0.002 0.000 1.377 290 M HN 0.290 nan 8.290 nan 0.000 0.415 291 D N 0.835 121.236 120.400 0.002 0.000 2.178 291 D HA -0.070 4.570 4.640 -0.000 0.000 0.202 291 D C 2.105 178.406 176.300 0.002 0.000 0.974 291 D CA 1.102 55.102 54.000 0.000 0.000 0.841 291 D CB -0.182 40.616 40.800 -0.003 0.000 0.953 291 D HN 0.341 nan 8.370 nan 0.000 0.478 292 L N 0.339 121.565 121.223 0.005 0.000 2.027 292 L HA -0.139 4.201 4.340 -0.000 0.000 0.206 292 L C 2.508 179.389 176.870 0.019 0.000 1.074 292 L CA 0.622 55.468 54.840 0.010 0.000 0.745 292 L CB -0.200 41.867 42.059 0.013 0.000 0.898 292 L HN -0.068 nan 8.230 nan 0.000 0.433 293 V N -0.805 119.121 119.914 0.020 0.000 2.407 293 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 293 V C 2.491 178.594 176.094 0.015 0.000 1.055 293 V CA 2.243 64.556 62.300 0.022 0.000 1.049 293 V CB -0.748 31.083 31.823 0.013 0.000 0.662 293 V HN 0.480 nan 8.190 nan 0.000 0.455 294 T N 0.426 114.985 114.554 0.009 0.000 2.777 294 T HA -0.101 4.249 4.350 -0.000 0.000 0.266 294 T C 2.013 176.717 174.700 0.006 0.000 1.040 294 T CA 1.516 63.619 62.100 0.006 0.000 1.141 294 T CB -0.347 68.522 68.868 0.002 0.000 0.868 294 T HN 0.565 nan 8.240 nan 0.000 0.444 295 A N 1.024 123.847 122.820 0.005 0.000 2.067 295 A HA 0.324 4.644 4.320 -0.000 0.000 0.219 295 A C 2.499 180.085 177.584 0.002 0.000 1.158 295 A CA 1.451 53.487 52.037 -0.001 0.000 0.661 295 A CB -0.699 18.298 19.000 -0.005 0.000 0.801 295 A HN 0.487 nan 8.150 nan 0.000 0.452 296 A N -0.992 121.839 122.820 0.018 0.000 1.970 296 A HA 0.175 4.495 4.320 -0.000 0.000 0.216 296 A C 0.691 178.297 177.584 0.037 0.000 1.170 296 A CA 0.894 52.953 52.037 0.036 0.000 0.645 296 A CB -0.260 18.785 19.000 0.075 0.000 0.816 296 A HN 0.559 nan 8.150 nan 0.000 0.447 297 E N -1.942 118.276 120.200 0.030 0.000 2.807 297 E HA -0.136 4.214 4.350 -0.000 0.000 0.169 297 E C -2.089 174.539 176.600 0.047 0.000 1.548 297 E CA 0.197 56.617 56.400 0.032 0.000 0.697 297 E CB -1.205 28.512 29.700 0.030 0.000 1.106 297 E HN 0.360 nan 8.360 nan 0.000 0.382 298 P HA -0.222 nan 4.420 nan 0.000 0.216 298 P C 1.029 178.331 177.300 0.003 0.000 1.154 298 P CA 1.352 64.447 63.100 -0.010 0.000 0.865 298 P CB 0.249 31.924 31.700 -0.043 0.000 0.789 299 E N -1.283 118.926 120.200 0.016 0.000 2.150 299 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 299 E C 1.903 178.543 176.600 0.067 0.000 0.985 299 E CA 0.844 57.260 56.400 0.027 0.000 0.814 299 E CB -0.732 28.982 29.700 0.023 0.000 0.752 299 E HN 0.206 nan 8.360 nan 0.000 0.466 300 I N 0.537 121.166 120.570 0.098 0.000 2.296 300 I HA -0.110 4.060 4.170 -0.000 0.000 0.242 300 I C 2.258 178.524 176.117 0.248 0.000 1.087 300 I CA 0.867 62.266 61.300 0.166 0.000 1.393 300 I CB -1.066 37.035 38.000 0.168 0.000 1.093 300 I HN 0.168 nan 8.210 nan 0.000 0.421 301 I N -1.069 119.655 120.570 0.257 0.000 3.176 301 I HA 0.058 4.228 4.170 -0.000 0.000 0.275 301 I C 1.745 178.131 176.117 0.448 0.000 1.298 301 I CA 0.934 62.471 61.300 0.396 0.000 1.445 301 I CB -0.438 37.827 38.000 0.442 0.000 1.075 301 I HN 0.050 nan 8.210 nan 0.000 0.482 302 A N 0.497 123.446 122.820 0.215 0.000 2.508 302 A HA 0.287 4.607 4.320 -0.000 0.000 0.257 302 A C 1.022 178.662 177.584 0.092 0.000 1.226 302 A CA -0.172 51.929 52.037 0.107 0.000 0.947 302 A CB -0.044 18.874 19.000 -0.137 0.000 1.079 302 A HN 0.352 nan 8.150 nan 0.000 0.531 303 S N -0.263 115.504 115.700 0.112 0.000 2.549 303 S HA 0.281 4.751 4.470 -0.000 0.000 0.286 303 S C 0.746 175.383 174.600 0.061 0.000 1.314 303 S CA -0.126 58.117 58.200 0.072 0.000 1.062 303 S CB 0.236 63.481 63.200 0.074 0.000 0.865 303 S HN 0.308 nan 8.310 nan 0.000 0.498 304 L N 5.230 126.476 121.223 0.038 0.000 2.616 304 L HA 0.281 4.621 4.340 -0.000 0.000 0.229 304 L C 0.285 177.165 176.870 0.015 0.000 1.110 304 L CA 0.023 54.882 54.840 0.030 0.000 0.884 304 L CB 0.249 42.324 42.059 0.025 0.000 1.115 304 L HN 0.623 nan 8.230 nan 0.000 0.481 305 V N -5.010 114.911 119.914 0.012 0.000 3.096 305 V HA 0.688 4.808 4.120 -0.000 0.000 0.319 305 V C -2.549 173.541 176.094 -0.006 0.000 1.103 305 V CA -2.712 59.590 62.300 0.003 0.000 1.016 305 V CB 1.045 32.873 31.823 0.007 0.000 1.090 305 V HN -0.179 nan 8.190 nan 0.000 0.449 306 P HA 0.280 nan 4.420 nan 0.000 0.266 306 P C -0.916 176.376 177.300 -0.014 0.000 1.195 306 P CA 0.178 63.262 63.100 -0.027 0.000 0.768 306 P CB 0.648 32.337 31.700 -0.019 0.000 0.838 307 V N 5.677 125.573 119.914 -0.029 0.000 2.531 307 V HA 0.317 4.437 4.120 -0.000 0.000 0.301 307 V C -2.278 173.832 176.094 0.027 0.000 1.034 307 V CA -2.257 60.054 62.300 0.019 0.000 0.865 307 V CB 1.898 33.759 31.823 0.063 0.000 0.995 307 V HN 0.461 nan 8.190 nan 0.000 0.424 308 P HA 0.032 nan 4.420 nan 0.000 0.262 308 P C 0.778 178.132 177.300 0.090 0.000 1.182 308 P CA 0.455 63.586 63.100 0.051 0.000 0.761 308 P CB 0.767 32.495 31.700 0.047 0.000 0.795 309 A N 6.814 129.680 122.820 0.076 0.000 1.884 309 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 309 A C -0.380 177.282 177.584 0.129 0.000 1.197 309 A CA 2.099 54.206 52.037 0.117 0.000 0.637 309 A CB -2.501 16.545 19.000 0.076 0.000 0.827 309 A HN 0.481 nan 8.150 nan 0.000 0.450 310 P HA -0.123 nan 4.420 nan 0.000 0.216 310 P C 1.560 178.898 177.300 0.063 0.000 1.153 310 P CA 1.579 64.712 63.100 0.056 0.000 0.858 310 P CB -0.137 31.584 31.700 0.036 0.000 0.789 311 V N -1.512 118.453 119.914 0.085 0.000 2.453 311 V HA -0.200 3.920 4.120 -0.000 0.000 0.247 311 V C 2.131 178.296 176.094 0.119 0.000 1.048 311 V CA 1.514 63.866 62.300 0.086 0.000 1.049 311 V CB -1.211 30.666 31.823 0.091 0.000 0.672 311 V HN 0.026 nan 8.190 nan 0.000 0.457 312 F N 1.400 121.358 119.950 0.014 0.000 2.163 312 F HA 0.328 4.855 4.527 -0.000 0.000 0.297 312 F C 1.663 177.470 175.800 0.012 0.000 1.094 312 F CA 0.096 58.107 58.000 0.018 0.000 1.290 312 F CB -0.493 38.519 39.000 0.021 0.000 1.017 312 F HN 0.070 nan 8.300 nan 0.000 0.483 313 A N 1.177 123.997 122.820 -0.001 0.000 2.492 313 A HA 0.417 4.737 4.320 -0.000 0.000 0.236 313 A C 0.002 177.502 177.584 -0.139 0.000 1.078 313 A CA 0.444 52.427 52.037 -0.089 0.000 0.773 313 A CB -0.515 18.497 19.000 0.019 0.000 1.023 313 A HN 0.522 nan 8.150 nan 0.000 0.504 314 I N -2.767 117.723 120.570 -0.134 0.000 3.195 314 I HA 0.601 4.771 4.170 -0.000 0.000 0.313 314 I C -2.920 173.151 176.117 -0.077 0.000 1.237 314 I CA -2.954 58.280 61.300 -0.109 0.000 0.963 314 I CB 1.786 39.704 38.000 -0.136 0.000 1.278 314 I HN 0.269 nan 8.210 nan 0.000 0.460 315 P HA 0.148 nan 4.420 nan 0.000 0.257 315 P C -2.310 174.958 177.300 -0.054 0.000 1.189 315 P CA -0.123 62.947 63.100 -0.051 0.000 0.780 315 P CB -0.276 31.397 31.700 -0.045 0.000 0.772 316 P HA 0.281 nan 4.420 nan 0.000 0.276 316 P C -0.627 176.644 177.300 -0.047 0.000 1.261 316 P CA -0.303 62.767 63.100 -0.049 0.000 0.800 316 P CB 1.470 33.144 31.700 -0.044 0.000 1.066 317 K N 0.339 120.711 120.400 -0.048 0.000 2.340 317 K HA 0.580 4.900 4.320 -0.000 0.000 0.244 317 K C -2.391 174.180 176.600 -0.049 0.000 0.973 317 K CA -1.893 54.365 56.287 -0.047 0.000 0.828 317 K CB 1.102 33.573 32.500 -0.048 0.000 1.226 317 K HN 0.301 nan 8.250 nan 0.000 0.437 318 P HA 0.225 nan 4.420 nan 0.000 0.274 318 P C -1.516 175.744 177.300 -0.067 0.000 1.256 318 P CA -0.484 62.586 63.100 -0.050 0.000 0.795 318 P CB 0.802 32.479 31.700 -0.039 0.000 1.038 319 A N 0.500 123.272 122.820 -0.079 0.000 2.539 319 A HA 0.616 4.936 4.320 -0.000 0.000 0.296 319 A C -1.445 175.952 177.584 -0.312 0.000 1.073 319 A CA -0.494 51.417 52.037 -0.209 0.000 0.700 319 A CB 1.123 19.993 19.000 -0.217 0.000 1.296 319 A HN 0.397 nan 8.150 nan 0.000 0.405 320 D N 0.020 120.141 120.400 -0.464 0.000 2.252 320 D HA 0.728 5.368 4.640 -0.000 0.000 0.245 320 D C -1.309 174.648 176.300 -0.571 0.000 1.009 320 D CA 0.578 54.385 54.000 -0.321 0.000 0.870 320 D CB 1.327 42.054 40.800 -0.122 0.000 1.251 320 D HN 0.388 nan 8.370 nan 0.000 0.460 321 Y N -0.227 120.152 120.300 0.133 0.000 2.638 321 Y HA 0.331 4.881 4.550 -0.000 0.000 0.335 321 Y C -0.001 175.997 175.900 0.163 0.000 1.155 321 Y CA -1.116 57.079 58.100 0.158 0.000 1.046 321 Y CB 1.453 40.061 38.460 0.248 0.000 1.303 321 Y HN 0.131 nan 8.280 nan 0.000 0.460 322 N N 0.928 119.810 118.700 0.304 0.000 2.804 322 N HA 0.175 4.915 4.740 -0.000 0.000 0.251 322 N C 0.296 175.914 175.510 0.181 0.000 1.250 322 N CA -0.009 53.181 53.050 0.234 0.000 0.820 322 N CB 1.300 39.881 38.487 0.156 0.000 1.156 322 N HN 0.591 nan 8.380 nan 0.000 0.512 323 V N 2.532 122.556 119.914 0.183 0.000 2.495 323 V HA -0.305 3.815 4.120 -0.000 0.000 0.260 323 V C 2.474 178.527 176.094 -0.069 0.000 1.097 323 V CA 2.123 64.391 62.300 -0.054 0.000 1.105 323 V CB -0.506 31.110 31.823 -0.345 0.000 0.678 323 V HN 0.561 nan 8.190 nan 0.000 0.469 324 R N 0.967 121.512 120.500 0.075 0.000 2.115 324 R HA -0.098 4.242 4.340 -0.000 0.000 0.226 324 R C 2.136 178.440 176.300 0.006 0.000 1.100 324 R CA 1.761 57.895 56.100 0.057 0.000 0.980 324 R CB -0.543 29.831 30.300 0.122 0.000 0.875 324 R HN 0.666 nan 8.270 nan 0.000 0.445 325 T N -2.199 112.366 114.554 0.018 0.000 3.086 325 T HA 0.275 4.625 4.350 -0.000 0.000 0.250 325 T C 0.586 175.272 174.700 -0.023 0.000 1.074 325 T CA -0.309 61.792 62.100 0.002 0.000 0.988 325 T CB -0.115 68.768 68.868 0.024 0.000 0.988 325 T HN 0.014 nan 8.240 nan 0.000 0.530 326 L N 1.481 122.666 121.223 -0.063 0.000 2.453 326 L HA 0.406 4.746 4.340 -0.000 0.000 0.261 326 L C 0.454 177.239 176.870 -0.143 0.000 1.179 326 L CA -0.803 53.968 54.840 -0.114 0.000 0.813 326 L CB 0.646 42.564 42.059 -0.234 0.000 1.110 326 L HN -0.011 nan 8.230 nan 0.000 0.466 327 K N 3.294 123.609 120.400 -0.141 0.000 2.234 327 K HA 0.216 4.536 4.320 -0.000 0.000 0.277 327 K C 0.845 177.331 176.600 -0.189 0.000 1.038 327 K CA -0.273 55.935 56.287 -0.132 0.000 0.888 327 K CB 1.651 34.096 32.500 -0.092 0.000 1.091 327 K HN 0.584 nan 8.250 nan 0.000 0.467 328 I N -0.797 119.659 120.570 -0.189 0.000 2.700 328 I HA -0.205 3.965 4.170 -0.000 0.000 0.261 328 I C 0.635 176.643 176.117 -0.183 0.000 1.219 328 I CA 1.298 62.464 61.300 -0.223 0.000 1.463 328 I CB -0.277 37.610 38.000 -0.187 0.000 1.092 328 I HN 0.397 nan 8.210 nan 0.000 0.452 329 D N 0.143 120.460 120.400 -0.137 0.000 2.339 329 D HA -0.020 4.620 4.640 -0.000 0.000 0.217 329 D C 1.484 177.719 176.300 -0.108 0.000 1.050 329 D CA 0.259 54.194 54.000 -0.108 0.000 0.856 329 D CB 0.212 40.965 40.800 -0.080 0.000 0.922 329 D HN 0.540 nan 8.370 nan 0.000 0.518 330 E N -0.224 119.894 120.200 -0.137 0.000 2.354 330 E HA 0.320 4.670 4.350 -0.000 0.000 0.203 330 E C 0.240 176.742 176.600 -0.165 0.000 0.841 330 E CA 0.072 56.402 56.400 -0.117 0.000 1.046 330 E CB 0.597 30.244 29.700 -0.089 0.000 1.040 330 E HN 0.194 nan 8.360 nan 0.000 0.504 331 A N 1.664 124.298 122.820 -0.310 0.000 2.478 331 A HA 0.190 4.510 4.320 -0.000 0.000 0.327 331 A C 0.922 178.163 177.584 -0.571 0.000 1.431 331 A CA -0.335 51.349 52.037 -0.588 0.000 1.014 331 A CB -0.283 18.097 19.000 -1.032 0.000 1.143 331 A HN 0.226 nan 8.150 nan 0.000 0.532 332 T N -0.620 113.766 114.554 -0.280 0.000 3.155 332 T HA -0.095 4.255 4.350 -0.000 0.000 0.264 332 T C 0.824 175.493 174.700 -0.052 0.000 1.160 332 T CA 0.926 62.950 62.100 -0.127 0.000 1.075 332 T CB -0.468 68.395 68.868 -0.008 0.000 0.921 332 T HN 0.869 nan 8.240 nan 0.000 0.533 333 W N 0.912 122.150 121.300 -0.102 0.000 3.223 333 W HA 0.574 5.234 4.660 -0.000 0.000 0.389 333 W C -0.622 175.797 176.519 -0.166 0.000 1.118 333 W CA -1.148 56.128 57.345 -0.115 0.000 1.902 333 W CB -0.660 28.727 29.460 -0.122 0.000 1.094 333 W HN 0.169 nan 8.180 nan 0.000 0.666 334 L N 2.295 123.335 121.223 -0.305 0.000 2.342 334 L HA 0.668 5.008 4.340 -0.000 0.000 0.271 334 L C 0.090 176.802 176.870 -0.264 0.000 1.008 334 L CA -0.896 53.734 54.840 -0.350 0.000 0.818 334 L CB 1.807 43.536 42.059 -0.551 0.000 1.296 334 L HN -0.326 nan 8.230 nan 0.000 0.427 335 R N 2.879 123.207 120.500 -0.286 0.000 2.807 335 R HA 0.731 5.071 4.340 -0.000 0.000 0.276 335 R C -1.163 175.077 176.300 -0.100 0.000 0.979 335 R CA -0.728 55.251 56.100 -0.202 0.000 0.928 335 R CB 2.702 32.825 30.300 -0.296 0.000 1.191 335 R HN 0.664 nan 8.270 nan 0.000 0.471 336 M N 2.038 121.648 119.600 0.016 0.000 2.421 336 M HA 0.455 4.935 4.480 -0.000 0.000 0.287 336 M C -1.346 174.924 176.300 -0.050 0.000 1.183 336 M CA -0.631 54.702 55.300 0.055 0.000 0.916 336 M CB 2.187 34.764 32.600 -0.038 0.000 1.701 336 M HN 0.550 nan 8.290 nan 0.000 0.470 337 I N 5.644 126.153 120.570 -0.102 0.000 2.379 337 I HA 0.271 4.441 4.170 -0.000 0.000 0.290 337 I C -2.076 173.985 176.117 -0.093 0.000 1.063 337 I CA -1.719 59.448 61.300 -0.221 0.000 1.351 337 I CB 0.850 38.704 38.000 -0.243 0.000 1.410 337 I HN 0.446 nan 8.210 nan 0.000 0.505 338 P HA 0.029 nan 4.420 nan 0.000 0.264 338 P C -0.520 176.761 177.300 -0.032 0.000 1.193 338 P CA 0.109 63.178 63.100 -0.052 0.000 0.763 338 P CB 0.471 32.139 31.700 -0.052 0.000 0.810 339 K N 1.449 121.835 120.400 -0.023 0.000 2.117 339 K HA 0.258 4.578 4.320 -0.000 0.000 0.240 339 K C 0.628 177.221 176.600 -0.011 0.000 1.031 339 K CA -0.111 56.169 56.287 -0.012 0.000 0.909 339 K CB 0.052 32.547 32.500 -0.009 0.000 1.097 339 K HN 0.467 nan 8.250 nan 0.000 0.492 340 T N -0.233 114.317 114.554 -0.006 0.000 5.888 340 T HA -0.113 4.237 4.350 -0.000 0.000 0.275 340 T C 0.437 175.134 174.700 -0.005 0.000 2.123 340 T CA 1.215 63.311 62.100 -0.006 0.000 3.523 340 T CB -0.679 68.183 68.868 -0.010 0.000 1.240 340 T HN 0.502 nan 8.240 nan 0.000 1.133 341 M N -0.440 119.159 119.600 -0.003 0.000 2.313 341 M HA 0.405 4.885 4.480 -0.000 0.000 0.273 341 M C 1.861 178.165 176.300 0.008 0.000 1.049 341 M CA 1.059 56.358 55.300 -0.002 0.000 1.004 341 M CB -0.450 32.146 32.600 -0.007 0.000 1.461 341 M HN 0.619 nan 8.290 nan 0.000 0.514 342 G N 1.741 110.549 108.800 0.013 0.000 2.187 342 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.261 342 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.261 342 G C 0.212 175.137 174.900 0.041 0.000 1.000 342 G CA 0.678 45.791 45.100 0.022 0.000 0.718 342 G HN 0.415 nan 8.290 nan 0.000 0.519 343 T N 0.183 114.768 114.554 0.050 0.000 2.888 343 T HA 0.489 4.839 4.350 -0.000 0.000 0.301 343 T C -0.107 174.676 174.700 0.139 0.000 1.001 343 T CA 0.905 63.066 62.100 0.102 0.000 1.147 343 T CB 1.603 70.531 68.868 0.101 0.000 0.931 343 T HN 1.219 nan 8.240 nan 0.000 0.541 344 L N 5.091 126.451 121.223 0.228 0.000 2.847 344 L HA 0.591 4.931 4.340 -0.000 0.000 0.261 344 L C -1.974 175.079 176.870 0.305 0.000 0.926 344 L CA -0.655 54.292 54.840 0.178 0.000 1.010 344 L CB 1.005 43.113 42.059 0.083 0.000 1.538 344 L HN 0.709 nan 8.230 nan 0.000 0.465 345 F N 1.593 121.558 119.950 0.024 0.000 2.622 345 F HA 0.683 5.210 4.527 -0.000 0.000 0.318 345 F C -1.028 174.780 175.800 0.013 0.000 1.135 345 F CA -0.756 57.251 58.000 0.011 0.000 1.015 345 F CB 1.434 40.432 39.000 -0.004 0.000 1.275 345 F HN 0.538 nan 8.300 nan 0.000 0.457 346 Q N 4.710 124.547 119.800 0.063 0.000 2.261 346 Q HA 0.709 5.049 4.340 -0.000 0.000 0.252 346 Q C -0.277 175.704 176.000 -0.032 0.000 0.915 346 Q CA -0.816 54.971 55.803 -0.027 0.000 0.915 346 Q CB 2.572 31.331 28.738 0.035 0.000 1.204 346 Q HN 0.808 nan 8.270 nan 0.000 0.421 347 I N -1.910 118.535 120.570 -0.208 0.000 3.239 347 I HA 0.550 4.720 4.170 -0.000 0.000 0.314 347 I C -1.305 174.567 176.117 -0.408 0.000 1.126 347 I CA -1.245 59.908 61.300 -0.245 0.000 0.973 347 I CB 2.406 40.268 38.000 -0.229 0.000 1.252 347 I HN 0.478 nan 8.210 nan 0.000 0.463 348 Q N 1.631 121.236 119.800 -0.325 0.000 2.305 348 Q HA 0.737 5.077 4.340 -0.000 0.000 0.271 348 Q C -1.651 174.258 176.000 -0.153 0.000 1.046 348 Q CA -0.774 54.831 55.803 -0.330 0.000 0.798 348 Q CB 3.298 31.827 28.738 -0.348 0.000 1.286 348 Q HN 0.575 nan 8.270 nan 0.000 0.435 349 V N 0.867 120.772 119.914 -0.016 0.000 2.971 349 V HA 0.596 4.716 4.120 -0.000 0.000 0.309 349 V C -0.219 175.985 176.094 0.184 0.000 1.130 349 V CA -0.811 61.555 62.300 0.110 0.000 0.964 349 V CB 2.344 34.305 31.823 0.229 0.000 1.029 349 V HN 0.949 nan 8.190 nan 0.000 0.427 350 T N -0.810 113.828 114.554 0.140 0.000 2.945 350 T HA 0.718 5.068 4.350 -0.000 0.000 0.286 350 T C -0.691 174.149 174.700 0.232 0.000 1.025 350 T CA -0.736 61.461 62.100 0.162 0.000 1.039 350 T CB 1.765 70.673 68.868 0.067 0.000 1.068 350 T HN 0.778 nan 8.240 nan 0.000 0.497 351 D N 0.373 120.954 120.400 0.301 0.000 2.437 351 D HA 0.258 4.898 4.640 -0.000 0.000 0.259 351 D C 0.701 177.116 176.300 0.192 0.000 1.118 351 D CA -1.091 53.083 54.000 0.290 0.000 1.017 351 D CB 0.204 41.282 40.800 0.464 0.000 1.120 351 D HN 0.371 nan 8.370 nan 0.000 0.541 352 N N -1.095 117.706 118.700 0.168 0.000 2.635 352 N HA -0.080 4.660 4.740 -0.000 0.000 0.191 352 N C 0.746 176.324 175.510 0.112 0.000 1.155 352 N CA 0.947 54.071 53.050 0.122 0.000 0.927 352 N CB -0.319 38.233 38.487 0.108 0.000 0.976 352 N HN 0.689 nan 8.380 nan 0.000 0.448 353 T N -4.715 109.920 114.554 0.135 0.000 3.174 353 T HA 0.392 4.742 4.350 -0.000 0.000 0.269 353 T C 1.233 175.979 174.700 0.077 0.000 1.017 353 T CA 0.219 62.383 62.100 0.106 0.000 0.899 353 T CB 0.457 69.402 68.868 0.129 0.000 1.077 353 T HN 0.177 nan 8.240 nan 0.000 0.552 354 G N 1.378 110.222 108.800 0.073 0.000 2.184 354 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.264 354 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.264 354 G C 0.220 175.118 174.900 -0.004 0.000 0.975 354 G CA 0.257 45.378 45.100 0.035 0.000 0.642 354 G HN 0.727 nan 8.290 nan 0.000 0.536 355 T N 1.319 115.868 114.554 -0.008 0.000 2.870 355 T HA 0.324 4.674 4.350 -0.000 0.000 0.300 355 T C 0.465 174.992 174.700 -0.287 0.000 0.989 355 T CA 0.023 62.023 62.100 -0.167 0.000 1.139 355 T CB 1.054 69.803 68.868 -0.199 0.000 0.920 355 T HN 0.429 nan 8.240 nan 0.000 0.537 356 N N 2.068 120.549 118.700 -0.364 0.000 2.499 356 N HA 0.237 4.977 4.740 -0.000 0.000 0.281 356 N C -1.204 173.986 175.510 -0.534 0.000 1.098 356 N CA -0.450 52.416 53.050 -0.306 0.000 0.979 356 N CB 0.777 39.148 38.487 -0.194 0.000 1.121 356 N HN 0.524 nan 8.380 nan 0.000 0.466 357 W N 0.795 122.079 121.300 -0.026 0.000 2.864 357 W HA 0.325 4.984 4.660 -0.000 0.000 0.343 357 W C -0.540 175.977 176.519 -0.004 0.000 1.109 357 W CA -0.641 56.738 57.345 0.056 0.000 1.192 357 W CB 1.169 30.685 29.460 0.094 0.000 1.426 357 W HN 0.499 nan 8.180 nan 0.000 0.529 358 H N 1.590 120.905 119.070 0.408 0.000 2.492 358 H HA 0.666 5.222 4.556 -0.000 0.000 0.345 358 H C -0.619 174.938 175.328 0.381 0.000 1.136 358 H CA -0.542 55.647 56.048 0.234 0.000 1.202 358 H CB 1.302 31.152 29.762 0.148 0.000 1.524 358 H HN 0.285 nan 8.280 nan 0.000 0.506 359 F N -0.483 119.596 119.950 0.215 0.000 2.744 359 F HA 0.460 4.987 4.527 -0.000 0.000 0.311 359 F C -1.830 174.008 175.800 0.063 0.000 1.144 359 F CA -1.198 56.882 58.000 0.133 0.000 0.938 359 F CB 1.159 40.229 39.000 0.118 0.000 1.292 359 F HN 0.292 nan 8.300 nan 0.000 0.444 360 N N 2.060 120.900 118.700 0.232 0.000 2.370 360 N HA 0.685 5.425 4.740 -0.000 0.000 0.303 360 N C -1.510 174.015 175.510 0.025 0.000 1.103 360 N CA -0.566 52.494 53.050 0.016 0.000 0.848 360 N CB 2.656 41.129 38.487 -0.024 0.000 1.235 360 N HN 0.685 nan 8.380 nan 0.000 0.496 361 L N 1.454 122.506 121.223 -0.286 0.000 2.346 361 L HA 0.638 4.978 4.340 -0.000 0.000 0.276 361 L C 0.398 177.064 176.870 -0.341 0.000 1.006 361 L CA -0.707 53.955 54.840 -0.298 0.000 0.817 361 L CB 1.569 43.305 42.059 -0.538 0.000 1.272 361 L HN 0.666 nan 8.230 nan 0.000 0.421 362 R N 0.934 121.379 120.500 -0.092 0.000 2.829 362 R HA 0.585 4.925 4.340 -0.000 0.000 0.267 362 R C -0.404 175.909 176.300 0.021 0.000 1.051 362 R CA -0.862 55.230 56.100 -0.012 0.000 0.927 362 R CB 0.643 30.940 30.300 -0.006 0.000 1.292 362 R HN 0.502 nan 8.270 nan 0.000 0.445 363 G N -0.741 108.075 108.800 0.027 0.000 2.254 363 G HA2 0.347 4.307 3.960 -0.000 0.000 0.253 363 G HA3 0.347 4.307 3.960 -0.000 0.000 0.253 363 G C 0.885 175.795 174.900 0.017 0.000 1.246 363 G CA 0.473 45.581 45.100 0.013 0.000 0.946 363 G HN 1.334 nan 8.290 nan 0.000 0.474 364 G N 1.811 110.620 108.800 0.015 0.000 2.307 364 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.210 364 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.210 364 G C 0.676 175.618 174.900 0.070 0.000 1.005 364 G CA 0.160 45.279 45.100 0.031 0.000 0.634 364 G HN 1.081 nan 8.290 nan 0.000 0.496 365 T N 3.189 117.803 114.554 0.100 0.000 2.866 365 T HA 0.412 4.762 4.350 -0.000 0.000 0.293 365 T C 0.625 175.469 174.700 0.240 0.000 1.005 365 T CA 0.550 62.762 62.100 0.187 0.000 1.162 365 T CB 0.492 69.495 68.868 0.225 0.000 0.968 365 T HN 0.493 nan 8.240 nan 0.000 0.530 366 R N 1.475 122.089 120.500 0.191 0.000 2.732 366 R HA 0.780 5.120 4.340 -0.000 0.000 0.278 366 R C -0.505 175.702 176.300 -0.155 0.000 0.976 366 R CA -0.995 55.095 56.100 -0.017 0.000 0.963 366 R CB 1.781 31.981 30.300 -0.166 0.000 1.150 366 R HN 0.530 nan 8.270 nan 0.000 0.478 367 V N -1.848 117.772 119.914 -0.489 0.000 3.114 367 V HA 0.578 4.698 4.120 -0.000 0.000 0.308 367 V C -0.591 175.235 176.094 -0.446 0.000 1.168 367 V CA -1.012 60.983 62.300 -0.509 0.000 1.015 367 V CB 2.098 33.297 31.823 -1.040 0.000 1.050 367 V HN 0.401 nan 8.190 nan 0.000 0.433 368 V N 2.519 122.277 119.914 -0.260 0.000 2.407 368 V HA 0.382 4.502 4.120 -0.000 0.000 0.278 368 V C 0.418 176.505 176.094 -0.011 0.000 1.037 368 V CA -0.373 61.867 62.300 -0.100 0.000 0.900 368 V CB 1.272 33.053 31.823 -0.070 0.000 0.983 368 V HN 0.976 nan 8.190 nan 0.000 0.459 369 N N 4.736 123.482 118.700 0.076 0.000 2.448 369 N HA 0.177 4.917 4.740 -0.000 0.000 0.250 369 N C 0.985 176.531 175.510 0.060 0.000 1.136 369 N CA -0.036 53.116 53.050 0.170 0.000 0.953 369 N CB 0.875 39.470 38.487 0.180 0.000 1.251 369 N HN 0.669 nan 8.380 nan 0.000 0.502 370 L N 0.707 121.909 121.223 -0.034 0.000 2.127 370 L HA -0.120 4.220 4.340 -0.000 0.000 0.211 370 L C 0.867 177.545 176.870 -0.321 0.000 1.089 370 L CA 0.852 55.482 54.840 -0.350 0.000 0.757 370 L CB -0.389 41.395 42.059 -0.459 0.000 0.899 370 L HN 0.449 nan 8.230 nan 0.000 0.434 371 D N 0.559 120.950 120.400 -0.015 0.000 2.450 371 D HA -0.055 4.585 4.640 -0.000 0.000 0.247 371 D C 0.591 176.928 176.300 0.061 0.000 1.162 371 D CA 0.556 54.602 54.000 0.077 0.000 0.879 371 D CB 0.673 41.584 40.800 0.185 0.000 1.163 371 D HN 0.104 nan 8.370 nan 0.000 0.472 372 Q N 1.697 121.549 119.800 0.086 0.000 2.393 372 Q HA -0.208 4.132 4.340 -0.000 0.000 0.211 372 Q C 1.150 177.182 176.000 0.052 0.000 0.653 372 Q CA 1.171 57.018 55.803 0.073 0.000 1.331 372 Q CB -2.277 26.501 28.738 0.066 0.000 1.349 372 Q HN 0.850 nan 8.270 nan 0.000 0.824 373 I N -3.423 117.170 120.570 0.038 0.000 3.883 373 I HA 0.607 4.777 4.170 -0.000 0.000 0.326 373 I C 0.855 177.001 176.117 0.048 0.000 1.283 373 I CA 0.365 61.654 61.300 -0.019 0.000 1.161 373 I CB 0.367 38.282 38.000 -0.141 0.000 1.012 373 I HN 0.244 nan 8.210 nan 0.000 0.421 374 A N 1.040 123.956 122.820 0.160 0.000 3.112 374 A HA -0.109 4.211 4.320 -0.000 0.000 0.660 374 A C -2.536 175.144 177.584 0.160 0.000 0.470 374 A CA -0.622 51.487 52.037 0.121 0.000 0.194 374 A CB -2.572 16.450 19.000 0.036 0.000 3.812 374 A HN 0.326 nan 8.150 nan 0.000 0.537 375 P HA 0.340 nan 4.420 nan 0.000 0.260 375 P C -0.282 177.026 177.300 0.014 0.000 1.172 375 P CA 0.984 64.060 63.100 -0.041 0.000 0.760 375 P CB 0.260 31.909 31.700 -0.086 0.000 0.773 376 M N 3.038 122.678 119.600 0.066 0.000 2.365 376 M HA 0.339 4.819 4.480 -0.000 0.000 0.287 376 M C -1.120 175.135 176.300 -0.076 0.000 1.154 376 M CA -0.553 54.710 55.300 -0.062 0.000 0.941 376 M CB 2.444 34.951 32.600 -0.155 0.000 1.704 376 M HN 0.058 nan 8.290 nan 0.000 0.479 377 R N 3.077 123.471 120.500 -0.176 0.000 2.346 377 R HA 0.709 5.049 4.340 -0.000 0.000 0.311 377 R C -1.822 174.394 176.300 -0.140 0.000 0.983 377 R CA -0.215 55.844 56.100 -0.069 0.000 0.880 377 R CB 0.808 31.081 30.300 -0.046 0.000 1.100 377 R HN 0.639 nan 8.270 nan 0.000 0.453 378 F N 3.202 123.182 119.950 0.050 0.000 2.495 378 F HA 0.479 5.006 4.527 -0.000 0.000 0.327 378 F C -0.389 175.572 175.800 0.269 0.000 1.103 378 F CA -0.799 57.292 58.000 0.151 0.000 0.949 378 F CB 2.271 41.339 39.000 0.113 0.000 1.142 378 F HN 0.074 nan 8.300 nan 0.000 0.457 379 V N 4.484 124.658 119.914 0.433 0.000 2.569 379 V HA 0.397 4.517 4.120 -0.000 0.000 0.301 379 V C -1.169 175.121 176.094 0.327 0.000 1.044 379 V CA -0.651 61.852 62.300 0.339 0.000 0.874 379 V CB 1.964 33.899 31.823 0.187 0.000 1.002 379 V HN 0.527 nan 8.190 nan 0.000 0.424 380 L N 3.845 125.216 121.223 0.246 0.000 2.307 380 L HA 0.713 5.053 4.340 -0.000 0.000 0.284 380 L C -0.582 176.308 176.870 0.032 0.000 1.023 380 L CA 0.230 55.156 54.840 0.144 0.000 0.810 380 L CB 1.553 43.590 42.059 -0.038 0.000 1.231 380 L HN 0.683 nan 8.230 nan 0.000 0.423 381 D N 4.409 124.852 120.400 0.071 0.000 2.461 381 D HA 0.234 4.874 4.640 -0.000 0.000 0.240 381 D C 0.323 176.652 176.300 0.048 0.000 1.094 381 D CA -0.129 53.899 54.000 0.047 0.000 0.868 381 D CB 0.901 41.744 40.800 0.070 0.000 1.062 381 D HN 0.561 nan 8.370 nan 0.000 0.530 382 L N 2.451 123.678 121.223 0.007 0.000 2.627 382 L HA 0.286 4.626 4.340 -0.000 0.000 0.232 382 L C 1.447 178.366 176.870 0.081 0.000 1.150 382 L CA -0.306 54.555 54.840 0.034 0.000 0.917 382 L CB 0.119 42.140 42.059 -0.063 0.000 1.104 382 L HN 0.358 nan 8.230 nan 0.000 0.445 383 G N -0.705 108.138 108.800 0.073 0.000 2.340 383 G HA2 0.336 4.296 3.960 -0.000 0.000 0.245 383 G HA3 0.336 4.296 3.960 -0.000 0.000 0.245 383 G C 1.081 176.043 174.900 0.102 0.000 1.294 383 G CA 0.463 45.614 45.100 0.084 0.000 0.896 383 G HN 0.413 nan 8.290 nan 0.000 0.522 384 G N 1.591 110.457 108.800 0.111 0.000 2.299 384 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.237 384 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.237 384 G C 0.787 175.773 174.900 0.144 0.000 1.027 384 G CA 0.582 45.760 45.100 0.130 0.000 0.619 384 G HN 0.774 nan 8.290 nan 0.000 0.513 385 K N 0.970 121.460 120.400 0.151 0.000 2.149 385 K HA 0.579 4.899 4.320 -0.000 0.000 0.245 385 K C 1.237 177.947 176.600 0.184 0.000 1.024 385 K CA 0.417 56.798 56.287 0.157 0.000 0.899 385 K CB 1.312 33.976 32.500 0.273 0.000 1.038 385 K HN 0.225 nan 8.250 nan 0.000 0.496 386 S N 0.016 115.783 115.700 0.112 0.000 2.583 386 S HA 0.003 4.473 4.470 -0.000 0.000 0.203 386 S C 0.020 174.807 174.600 0.312 0.000 0.952 386 S CA 0.329 58.614 58.200 0.142 0.000 0.887 386 S CB -0.408 62.811 63.200 0.032 0.000 0.857 386 S HN 0.592 nan 8.310 nan 0.000 0.611 387 Y N 0.279 120.668 120.300 0.148 0.000 4.798 387 Y HA -0.169 4.381 4.550 -0.000 0.000 0.237 387 Y C 0.208 176.261 175.900 0.255 0.000 1.017 387 Y CA 0.652 58.895 58.100 0.238 0.000 2.010 387 Y CB -1.665 37.042 38.460 0.412 0.000 1.582 387 Y HN 0.234 nan 8.280 nan 0.000 0.621 388 K N 2.690 123.242 120.400 0.254 0.000 2.312 388 K HA 0.402 4.722 4.320 -0.000 0.000 0.287 388 K C -0.227 176.466 176.600 0.157 0.000 1.062 388 K CA 0.169 56.572 56.287 0.192 0.000 0.934 388 K CB 0.560 33.126 32.500 0.110 0.000 1.027 388 K HN 0.361 nan 8.250 nan 0.000 0.478 389 E N 1.995 122.307 120.200 0.187 0.000 2.378 389 E HA 0.227 4.577 4.350 -0.000 0.000 0.265 389 E C 0.287 176.955 176.600 0.114 0.000 0.932 389 E CA -0.881 55.603 56.400 0.139 0.000 0.795 389 E CB 1.412 31.204 29.700 0.153 0.000 1.296 389 E HN 0.581 nan 8.360 nan 0.000 0.438 390 T N 0.150 114.752 114.554 0.079 0.000 2.721 390 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 390 T C 1.327 176.067 174.700 0.068 0.000 1.038 390 T CA 1.861 63.997 62.100 0.059 0.000 1.145 390 T CB -0.106 68.789 68.868 0.044 0.000 0.858 390 T HN 0.301 nan 8.240 nan 0.000 0.459 391 S N 0.015 115.777 115.700 0.104 0.000 2.751 391 S HA 0.353 4.822 4.470 -0.000 0.000 0.247 391 S C -1.264 173.462 174.600 0.209 0.000 1.103 391 S CA -0.837 57.429 58.200 0.110 0.000 1.090 391 S CB -0.038 63.219 63.200 0.094 0.000 0.928 391 S HN 0.538 nan 8.310 nan 0.000 0.502 392 W N 1.959 123.231 121.300 -0.047 0.000 3.544 392 W HA 0.320 4.980 4.660 -0.000 0.000 0.326 392 W C -2.481 173.994 176.519 -0.073 0.000 1.137 392 W CA -0.479 56.814 57.345 -0.086 0.000 1.252 392 W CB 1.265 30.654 29.460 -0.119 0.000 1.302 392 W HN 0.150 nan 8.180 nan 0.000 0.467 393 D N 8.137 128.217 120.400 -0.533 0.000 2.425 393 D HA 0.245 4.885 4.640 -0.000 0.000 0.240 393 D C -1.194 174.803 176.300 -0.505 0.000 1.080 393 D CA -1.820 51.976 54.000 -0.340 0.000 0.836 393 D CB 2.850 43.504 40.800 -0.244 0.000 1.125 393 D HN 0.084 nan 8.370 nan 0.000 0.525 394 P HA -0.149 nan 4.420 nan 0.000 0.221 394 P C 0.384 177.654 177.300 -0.051 0.000 1.145 394 P CA 0.300 63.402 63.100 0.003 0.000 0.795 394 P CB 0.267 32.137 31.700 0.282 0.000 0.775 395 N N 0.583 119.215 118.700 -0.113 0.000 2.429 395 N HA 0.181 4.921 4.740 -0.000 0.000 0.271 395 N C 1.361 176.819 175.510 -0.086 0.000 1.272 395 N CA 1.619 54.606 53.050 -0.106 0.000 0.921 395 N CB -0.711 37.688 38.487 -0.146 0.000 1.128 395 N HN 0.223 nan 8.380 nan 0.000 0.481 396 G N 2.356 111.154 108.800 -0.003 0.000 2.195 396 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.246 396 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.246 396 G C 0.223 175.127 174.900 0.005 0.000 0.984 396 G CA 0.060 45.168 45.100 0.013 0.000 0.633 396 G HN 0.569 nan 8.290 nan 0.000 0.525 397 K N 0.455 120.847 120.400 -0.014 0.000 2.118 397 K HA 0.621 4.941 4.320 -0.000 0.000 0.240 397 K C 0.426 177.131 176.600 0.175 0.000 1.035 397 K CA 0.028 56.344 56.287 0.049 0.000 0.899 397 K CB 0.544 33.047 32.500 0.006 0.000 1.085 397 K HN 0.366 nan 8.250 nan 0.000 0.498 398 K N 0.297 120.842 120.400 0.242 0.000 2.371 398 K HA 0.420 4.740 4.320 -0.000 0.000 0.251 398 K C -0.756 175.891 176.600 0.079 0.000 0.934 398 K CA -0.873 55.492 56.287 0.130 0.000 0.798 398 K CB 2.083 34.603 32.500 0.034 0.000 1.204 398 K HN 0.409 nan 8.250 nan 0.000 0.427 399 V N -1.673 118.174 119.914 -0.112 0.000 2.864 399 V HA 0.986 5.106 4.120 -0.000 0.000 0.314 399 V C -0.115 175.759 176.094 -0.367 0.000 1.073 399 V CA -0.593 61.513 62.300 -0.322 0.000 0.956 399 V CB 1.680 33.195 31.823 -0.512 0.000 1.023 399 V HN 0.862 nan 8.190 nan 0.000 0.435 400 G N 0.895 109.416 108.800 -0.465 0.000 2.684 400 G HA2 0.664 4.624 3.960 -0.000 0.000 0.290 400 G HA3 0.664 4.624 3.960 -0.000 0.000 0.290 400 G C -1.905 172.738 174.900 -0.428 0.000 1.425 400 G CA -0.801 44.043 45.100 -0.427 0.000 0.822 400 G HN 0.694 nan 8.290 nan 0.000 0.482 401 F N 0.188 119.940 119.950 -0.330 0.000 2.415 401 F HA 0.557 5.084 4.527 -0.000 0.000 0.348 401 F C -0.150 175.428 175.800 -0.370 0.000 1.119 401 F CA -0.707 57.076 58.000 -0.361 0.000 1.069 401 F CB 1.814 40.632 39.000 -0.305 0.000 1.124 401 F HN 0.038 nan 8.300 nan 0.000 0.472 402 I N 4.424 124.894 120.570 -0.166 0.000 2.433 402 I HA 0.329 4.499 4.170 -0.000 0.000 0.292 402 I C -0.760 175.181 176.117 -0.293 0.000 1.001 402 I CA -0.694 60.433 61.300 -0.288 0.000 1.119 402 I CB 1.838 39.603 38.000 -0.391 0.000 1.289 402 I HN 0.122 nan 8.210 nan 0.000 0.438 403 V N 6.561 126.272 119.914 -0.339 0.000 2.357 403 V HA 0.433 4.553 4.120 -0.000 0.000 0.284 403 V C -0.385 175.625 176.094 -0.139 0.000 1.018 403 V CA -0.519 61.668 62.300 -0.189 0.000 0.841 403 V CB 0.630 32.350 31.823 -0.171 0.000 0.991 403 V HN 0.364 nan 8.190 nan 0.000 0.437 404 F N 2.572 122.620 119.950 0.163 0.000 2.399 404 F HA 0.599 5.126 4.527 -0.000 0.000 0.328 404 F C 0.662 176.518 175.800 0.093 0.000 1.084 404 F CA -0.562 57.583 58.000 0.241 0.000 1.053 404 F CB 1.270 40.593 39.000 0.537 0.000 1.209 404 F HN 0.351 nan 8.300 nan 0.000 0.502 405 Q N 1.817 121.755 119.800 0.229 0.000 2.533 405 Q HA 0.418 4.758 4.340 -0.000 0.000 0.251 405 Q C -1.106 174.892 176.000 -0.004 0.000 0.966 405 Q CA -0.521 55.235 55.803 -0.078 0.000 0.714 405 Q CB 2.124 30.838 28.738 -0.041 0.000 1.284 405 Q HN 0.666 nan 8.270 nan 0.000 0.478 406 S N 1.254 116.937 115.700 -0.028 0.000 2.595 406 S HA 0.409 4.879 4.470 -0.000 0.000 0.281 406 S C 0.079 174.695 174.600 0.025 0.000 1.117 406 S CA -0.610 57.639 58.200 0.082 0.000 0.873 406 S CB 1.505 64.901 63.200 0.328 0.000 1.108 406 S HN 0.538 nan 8.310 nan 0.000 0.477 407 K N 1.489 121.919 120.400 0.050 0.000 2.361 407 K HA 0.301 4.621 4.320 -0.000 0.000 0.196 407 K C 0.016 176.689 176.600 0.121 0.000 1.039 407 K CA 0.481 56.797 56.287 0.048 0.000 1.001 407 K CB -0.044 32.473 32.500 0.029 0.000 0.795 407 K HN 0.575 nan 8.250 nan 0.000 0.495 408 I N 3.097 123.794 120.570 0.211 0.000 2.395 408 I HA 0.129 4.299 4.170 -0.000 0.000 0.289 408 I C -2.362 174.060 176.117 0.509 0.000 1.023 408 I CA -2.593 58.889 61.300 0.304 0.000 1.350 408 I CB 0.873 39.033 38.000 0.267 0.000 1.409 408 I HN -0.278 nan 8.210 nan 0.000 0.507 409 P HA -0.065 nan 4.420 nan 0.000 0.265 409 P C 0.386 177.774 177.300 0.146 0.000 1.193 409 P CA 0.047 63.315 63.100 0.281 0.000 0.765 409 P CB 0.402 32.191 31.700 0.147 0.000 0.823 410 F N 3.907 123.650 119.950 -0.344 0.000 2.120 410 F HA -0.254 4.273 4.527 -0.000 0.000 0.300 410 F C 1.652 177.034 175.800 -0.697 0.000 1.095 410 F CA 1.892 59.164 58.000 -1.212 0.000 1.249 410 F CB -0.409 37.626 39.000 -1.609 0.000 0.995 410 F HN 0.333 nan 8.300 nan 0.000 0.480 411 E N 0.525 120.503 120.200 -0.370 0.000 2.160 411 E HA -0.201 4.149 4.350 -0.000 0.000 0.195 411 E C 1.983 178.448 176.600 -0.225 0.000 0.991 411 E CA 1.609 57.830 56.400 -0.298 0.000 0.810 411 E CB -0.629 28.992 29.700 -0.132 0.000 0.742 411 E HN 0.478 nan 8.360 nan 0.000 0.466 412 L N -0.589 120.574 121.223 -0.100 0.000 2.599 412 L HA 0.067 4.407 4.340 -0.000 0.000 0.230 412 L C 0.128 177.066 176.870 0.113 0.000 1.141 412 L CA -0.421 54.431 54.840 0.020 0.000 0.877 412 L CB -0.170 41.937 42.059 0.081 0.000 1.009 412 L HN 0.120 nan 8.230 nan 0.000 0.447 413 W N 1.297 122.446 121.300 -0.251 0.000 2.181 413 W HA 0.194 4.854 4.660 -0.000 0.000 0.335 413 W C 1.364 177.720 176.519 -0.273 0.000 1.310 413 W CA 0.108 57.298 57.345 -0.257 0.000 1.226 413 W CB 0.124 29.448 29.460 -0.227 0.000 1.155 413 W HN 0.040 nan 8.180 nan 0.000 0.565 414 T N -1.537 112.818 114.554 -0.331 0.000 3.177 414 T HA 0.519 4.869 4.350 -0.000 0.000 0.267 414 T C -0.028 174.020 174.700 -1.087 0.000 0.858 414 T CA 0.297 62.117 62.100 -0.467 0.000 0.846 414 T CB -0.279 68.469 68.868 -0.199 0.000 1.256 414 T HN 0.460 nan 8.240 nan 0.000 0.601 415 A N 0.523 122.620 122.820 -1.204 0.000 2.454 415 A HA 0.952 5.272 4.320 -0.000 0.000 0.302 415 A C 1.325 178.368 177.584 -0.901 0.000 1.079 415 A CA -0.268 51.195 52.037 -0.958 0.000 0.731 415 A CB 1.171 19.908 19.000 -0.438 0.000 1.299 415 A HN 0.632 nan 8.150 nan 0.000 0.413 416 A N 0.726 123.331 122.820 -0.357 0.000 2.076 416 A HA -0.048 4.272 4.320 -0.000 0.000 0.220 416 A C 2.137 179.627 177.584 -0.158 0.000 1.160 416 A CA 2.408 54.430 52.037 -0.025 0.000 0.653 416 A CB -0.894 18.162 19.000 0.093 0.000 0.801 416 A HN 1.788 nan 8.150 nan 0.000 0.455 417 S N -0.578 114.992 115.700 -0.217 0.000 2.474 417 S HA -0.175 4.295 4.470 -0.000 0.000 0.235 417 S C 1.528 175.974 174.600 -0.257 0.000 0.997 417 S CA 1.222 59.307 58.200 -0.191 0.000 0.949 417 S CB -0.357 62.748 63.200 -0.158 0.000 0.766 417 S HN 0.741 nan 8.310 nan 0.000 0.517 418 Q N 0.771 120.319 119.800 -0.420 0.000 2.392 418 Q HA 0.344 4.684 4.340 -0.000 0.000 0.203 418 Q C 1.879 177.376 176.000 -0.838 0.000 0.917 418 Q CA 0.413 55.883 55.803 -0.556 0.000 0.939 418 Q CB -0.311 28.037 28.738 -0.649 0.000 1.063 418 Q HN 0.903 nan 8.270 nan 0.000 0.516 419 I N -3.069 117.037 120.570 -0.774 0.000 3.334 419 I HA 0.156 4.326 4.170 -0.000 0.000 0.282 419 I C 1.112 177.176 176.117 -0.088 0.000 1.313 419 I CA 0.512 61.372 61.300 -0.733 0.000 1.396 419 I CB -0.697 37.188 38.000 -0.192 0.000 1.054 419 I HN 0.145 nan 8.210 nan 0.000 0.495 420 G N 1.892 110.639 108.800 -0.087 0.000 2.611 420 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.301 420 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.301 420 G C -0.230 174.713 174.900 0.071 0.000 1.233 420 G CA 0.206 45.316 45.100 0.018 0.000 0.993 420 G HN 0.524 nan 8.290 nan 0.000 0.553 421 Q N 1.351 121.206 119.800 0.091 0.000 2.296 421 Q HA 0.653 4.993 4.340 -0.000 0.000 0.257 421 Q C 0.323 176.376 176.000 0.087 0.000 0.942 421 Q CA 0.488 56.338 55.803 0.079 0.000 0.939 421 Q CB 1.180 29.956 28.738 0.062 0.000 1.198 421 Q HN 1.230 nan 8.270 nan 0.000 0.429 422 A N 2.389 125.230 122.820 0.033 0.000 2.401 422 A HA 0.873 5.193 4.320 -0.000 0.000 0.310 422 A C -0.678 176.858 177.584 -0.079 0.000 1.075 422 A CA -0.483 51.483 52.037 -0.118 0.000 0.746 422 A CB 1.597 20.444 19.000 -0.254 0.000 1.277 422 A HN 0.551 nan 8.150 nan 0.000 0.425 423 T N 1.044 115.522 114.554 -0.127 0.000 2.971 423 T HA 0.405 4.755 4.350 -0.000 0.000 0.304 423 T C -0.826 173.838 174.700 -0.060 0.000 1.038 423 T CA -0.409 61.672 62.100 -0.031 0.000 1.007 423 T CB 1.461 70.337 68.868 0.014 0.000 1.055 423 T HN 0.520 nan 8.240 nan 0.000 0.451 424 V N 4.347 124.276 119.914 0.026 0.000 2.397 424 V HA 0.069 4.189 4.120 -0.000 0.000 0.262 424 V C 1.675 177.792 176.094 0.038 0.000 1.047 424 V CA 0.050 62.340 62.300 -0.017 0.000 1.003 424 V CB 0.528 32.346 31.823 -0.008 0.000 1.037 424 V HN 0.889 nan 8.190 nan 0.000 0.480 425 V N 1.736 121.646 119.914 -0.005 0.000 3.406 425 V HA 0.321 4.441 4.120 -0.000 0.000 0.263 425 V C 0.639 176.804 176.094 0.118 0.000 1.172 425 V CA 0.774 63.114 62.300 0.066 0.000 1.140 425 V CB -0.527 31.312 31.823 0.027 0.000 0.784 425 V HN 0.795 nan 8.190 nan 0.000 0.467 426 N N -0.382 118.373 118.700 0.091 0.000 3.452 426 N HA 0.378 5.118 4.740 -0.000 0.000 0.231 426 N C -1.614 173.887 175.510 -0.015 0.000 1.264 426 N CA -0.269 52.802 53.050 0.036 0.000 0.928 426 N CB 1.808 40.351 38.487 0.093 0.000 1.547 426 N HN 0.468 nan 8.380 nan 0.000 0.509 427 Y N -0.840 119.342 120.300 -0.197 0.000 2.641 427 Y HA 0.739 5.289 4.550 -0.000 0.000 0.333 427 Y C -1.382 174.393 175.900 -0.208 0.000 1.174 427 Y CA -1.087 56.829 58.100 -0.307 0.000 1.057 427 Y CB 0.458 38.625 38.460 -0.487 0.000 1.322 427 Y HN 0.334 nan 8.280 nan 0.000 0.457 428 V N -0.450 119.436 119.914 -0.047 0.000 3.078 428 V HA 0.645 4.765 4.120 -0.000 0.000 0.311 428 V C -1.118 175.007 176.094 0.053 0.000 1.138 428 V CA -1.061 61.212 62.300 -0.045 0.000 1.007 428 V CB 1.785 33.549 31.823 -0.098 0.000 1.045 428 V HN 1.082 nan 8.190 nan 0.000 0.432 429 Q N 1.569 121.415 119.800 0.077 0.000 2.257 429 Q HA 0.665 5.005 4.340 -0.000 0.000 0.255 429 Q C -1.209 174.841 176.000 0.083 0.000 0.920 429 Q CA -0.669 55.195 55.803 0.102 0.000 0.927 429 Q CB 1.664 30.477 28.738 0.125 0.000 1.229 429 Q HN 0.823 nan 8.270 nan 0.000 0.433 430 L N 3.351 124.630 121.223 0.095 0.000 2.399 430 L HA 0.372 4.712 4.340 -0.000 0.000 0.266 430 L C -0.723 176.240 176.870 0.155 0.000 1.114 430 L CA -0.823 54.079 54.840 0.103 0.000 0.804 430 L CB 0.527 42.646 42.059 0.100 0.000 1.146 430 L HN 0.674 nan 8.230 nan 0.000 0.451 431 Y N 1.661 121.980 120.300 0.031 0.000 2.361 431 Y HA 0.680 5.230 4.550 -0.000 0.000 0.337 431 Y C -0.504 175.420 175.900 0.039 0.000 0.965 431 Y CA -0.873 57.243 58.100 0.027 0.000 1.091 431 Y CB 1.536 40.008 38.460 0.020 0.000 1.182 431 Y HN 0.603 nan 8.280 nan 0.000 0.450 432 A N 4.916 127.353 122.820 -0.638 0.000 2.384 432 A HA 0.820 5.140 4.320 -0.000 0.000 0.312 432 A C -1.008 176.184 177.584 -0.653 0.000 1.113 432 A CA -0.532 51.232 52.037 -0.455 0.000 0.779 432 A CB 1.861 20.750 19.000 -0.185 0.000 1.307 432 A HN 0.861 nan 8.150 nan 0.000 0.436 433 E N -0.538 119.468 120.200 -0.324 0.000 2.350 433 E HA 0.379 4.729 4.350 -0.000 0.000 0.243 433 E C -1.650 174.904 176.600 -0.076 0.000 0.959 433 E CA -0.664 55.614 56.400 -0.203 0.000 0.883 433 E CB 1.215 30.842 29.700 -0.120 0.000 1.820 433 E HN 0.581 nan 8.360 nan 0.000 0.441 434 D N 0.946 121.329 120.400 -0.029 0.000 2.168 434 D HA 0.283 4.923 4.640 -0.000 0.000 0.246 434 D C -0.555 175.753 176.300 0.014 0.000 1.050 434 D CA -0.131 53.870 54.000 0.001 0.000 0.857 434 D CB 1.782 42.584 40.800 0.003 0.000 1.169 434 D HN 0.424 nan 8.370 nan 0.000 0.453 435 S N 0.005 115.730 115.700 0.042 0.000 2.713 435 S HA 0.236 4.706 4.470 -0.000 0.000 0.277 435 S C 1.443 176.013 174.600 -0.051 0.000 1.168 435 S CA -0.335 57.884 58.200 0.031 0.000 0.994 435 S CB 1.262 64.560 63.200 0.163 0.000 1.054 435 S HN 0.369 nan 8.310 nan 0.000 0.555 436 S N -0.180 115.392 115.700 -0.214 0.000 2.399 436 S HA -0.014 4.456 4.470 -0.000 0.000 0.231 436 S C 0.270 174.686 174.600 -0.306 0.000 1.022 436 S CA 0.375 58.385 58.200 -0.317 0.000 0.983 436 S CB -1.084 61.823 63.200 -0.488 0.000 0.803 436 S HN 0.613 nan 8.310 nan 0.000 0.480 437 F N 3.987 123.941 119.950 0.007 0.000 2.471 437 F HA 0.302 4.829 4.527 -0.000 0.000 0.365 437 F C 1.225 177.028 175.800 0.005 0.000 1.095 437 F CA -0.667 57.336 58.000 0.006 0.000 1.174 437 F CB -0.200 38.803 39.000 0.006 0.000 1.105 437 F HN -0.036 nan 8.300 nan 0.000 0.535 438 T N 1.016 115.660 114.554 0.150 0.000 2.855 438 T HA 0.292 4.642 4.350 -0.000 0.000 0.322 438 T C 1.168 175.925 174.700 0.095 0.000 1.088 438 T CA 0.024 62.178 62.100 0.091 0.000 1.104 438 T CB 0.943 69.847 68.868 0.060 0.000 0.996 438 T HN 1.064 nan 8.240 nan 0.000 0.549 439 A N 0.082 122.940 122.820 0.063 0.000 3.420 439 A HA -0.188 4.132 4.320 -0.000 0.000 0.269 439 A C 0.580 178.199 177.584 0.059 0.000 1.122 439 A CA 1.213 53.281 52.037 0.051 0.000 1.023 439 A CB -1.744 17.281 19.000 0.043 0.000 1.099 439 A HN 0.763 nan 8.150 nan 0.000 0.860 440 Q N 0.261 120.114 119.800 0.089 0.000 2.266 440 Q HA 0.584 4.924 4.340 -0.000 0.000 0.261 440 Q C 0.074 176.128 176.000 0.090 0.000 0.985 440 Q CA 0.343 56.203 55.803 0.095 0.000 0.873 440 Q CB 1.874 30.696 28.738 0.140 0.000 1.306 440 Q HN 0.947 nan 8.270 nan 0.000 0.447 441 S N 1.107 116.853 115.700 0.077 0.000 2.565 441 S HA 0.698 5.168 4.470 -0.000 0.000 0.290 441 S C -0.140 174.509 174.600 0.082 0.000 1.150 441 S CA -0.843 57.390 58.200 0.054 0.000 1.058 441 S CB 1.198 64.415 63.200 0.028 0.000 1.032 441 S HN 0.642 nan 8.310 nan 0.000 0.510 442 I N 2.994 123.598 120.570 0.057 0.000 2.362 442 I HA 0.479 4.649 4.170 -0.000 0.000 0.289 442 I C -1.063 175.080 176.117 0.043 0.000 0.994 442 I CA -1.434 59.915 61.300 0.082 0.000 1.158 442 I CB 0.771 38.824 38.000 0.088 0.000 1.315 442 I HN 0.729 nan 8.210 nan 0.000 0.451 443 I N 7.364 127.986 120.570 0.085 0.000 2.474 443 I HA 0.281 4.451 4.170 -0.000 0.000 0.287 443 I C 0.928 177.093 176.117 0.079 0.000 1.048 443 I CA -0.220 61.122 61.300 0.070 0.000 1.383 443 I CB 1.404 39.473 38.000 0.115 0.000 1.412 443 I HN 0.652 nan 8.210 nan 0.000 0.531 444 A N 4.894 127.772 122.820 0.097 0.000 2.448 444 A HA 0.218 4.538 4.320 -0.000 0.000 0.239 444 A C 0.427 178.070 177.584 0.098 0.000 1.080 444 A CA -0.155 51.968 52.037 0.143 0.000 0.779 444 A CB -0.057 19.102 19.000 0.266 0.000 1.026 444 A HN 0.719 nan 8.150 nan 0.000 0.499 445 T N 1.808 116.412 114.554 0.082 0.000 2.928 445 T HA 0.405 4.755 4.350 -0.000 0.000 0.305 445 T C 0.742 175.465 174.700 0.037 0.000 1.035 445 T CA 1.015 63.149 62.100 0.056 0.000 1.145 445 T CB -0.108 68.789 68.868 0.049 0.000 0.963 445 T HN 0.973 nan 8.240 nan 0.000 0.545 446 T N -0.447 114.117 114.554 0.017 0.000 2.930 446 T HA 0.650 5.000 4.350 -0.000 0.000 0.290 446 T C -0.040 174.653 174.700 -0.011 0.000 1.052 446 T CA -0.966 61.126 62.100 -0.013 0.000 1.017 446 T CB 1.810 70.643 68.868 -0.058 0.000 1.137 446 T HN 0.261 nan 8.240 nan 0.000 0.511 447 S N 0.927 116.612 115.700 -0.025 0.000 2.694 447 S HA 0.236 4.706 4.470 -0.000 0.000 0.232 447 S C -0.432 174.161 174.600 -0.012 0.000 1.017 447 S CA -0.610 57.591 58.200 0.001 0.000 1.139 447 S CB -0.174 63.034 63.200 0.013 0.000 1.247 447 S HN 0.747 nan 8.310 nan 0.000 0.452 448 L N 3.519 124.691 121.223 -0.085 0.000 2.562 448 L HA 0.481 4.821 4.340 -0.000 0.000 0.271 448 L C 0.184 177.088 176.870 0.057 0.000 1.167 448 L CA 0.552 55.294 54.840 -0.163 0.000 0.917 448 L CB -0.222 41.540 42.059 -0.494 0.000 1.187 448 L HN 0.416 nan 8.230 nan 0.000 0.482 449 A N 5.213 128.139 122.820 0.176 0.000 2.356 449 A HA 0.708 5.028 4.320 -0.000 0.000 0.323 449 A C -1.647 176.242 177.584 0.508 0.000 1.119 449 A CA -0.474 51.776 52.037 0.357 0.000 0.790 449 A CB 1.056 20.172 19.000 0.194 0.000 1.273 449 A HN 0.728 nan 8.150 nan 0.000 0.452 450 Y N 1.438 121.938 120.300 0.334 0.000 2.358 450 Y HA 0.468 5.018 4.550 -0.000 0.000 0.324 450 Y C -1.567 174.456 175.900 0.205 0.000 1.123 450 Y CA -1.310 56.902 58.100 0.186 0.000 1.067 450 Y CB 1.460 39.873 38.460 -0.078 0.000 1.230 450 Y HN 0.647 nan 8.280 nan 0.000 0.429 451 N N 4.816 123.162 118.700 -0.590 0.000 2.437 451 N HA 0.162 4.902 4.740 -0.000 0.000 0.259 451 N C -1.738 173.309 175.510 -0.772 0.000 0.983 451 N CA -0.359 52.409 53.050 -0.469 0.000 0.937 451 N CB 0.573 38.926 38.487 -0.222 0.000 1.122 451 N HN 0.586 nan 8.380 nan 0.000 0.499 452 Y N 1.725 121.702 120.300 -0.539 0.000 2.556 452 Y HA 0.257 4.807 4.550 -0.000 0.000 0.352 452 Y C -0.528 175.285 175.900 -0.145 0.000 1.006 452 Y CA -0.689 57.239 58.100 -0.287 0.000 1.277 452 Y CB 0.222 38.732 38.460 0.082 0.000 1.136 452 Y HN 0.428 nan 8.280 nan 0.000 0.523 453 E N 8.633 128.482 120.200 -0.585 0.000 2.101 453 E HA 0.241 4.591 4.350 -0.000 0.000 0.260 453 E C -2.075 174.139 176.600 -0.643 0.000 0.897 453 E CA -2.011 54.078 56.400 -0.519 0.000 0.744 453 E CB 1.395 30.934 29.700 -0.269 0.000 1.140 453 E HN 0.499 nan 8.360 nan 0.000 0.419 454 P HA -0.271 nan 4.420 nan 0.000 0.216 454 P C 0.522 177.647 177.300 -0.291 0.000 1.154 454 P CA 1.356 64.121 63.100 -0.559 0.000 0.865 454 P CB 0.290 31.778 31.700 -0.354 0.000 0.789 455 E N -0.768 119.298 120.200 -0.223 0.000 2.153 455 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 455 E C 2.013 178.547 176.600 -0.110 0.000 0.988 455 E CA 0.976 57.295 56.400 -0.135 0.000 0.811 455 E CB -1.086 28.550 29.700 -0.106 0.000 0.746 455 E HN 0.296 nan 8.360 nan 0.000 0.466 456 Q N 0.237 119.959 119.800 -0.129 0.000 2.123 456 Q HA 0.039 4.379 4.340 -0.000 0.000 0.199 456 Q C 2.343 178.319 176.000 -0.040 0.000 0.966 456 Q CA 0.868 56.628 55.803 -0.071 0.000 0.845 456 Q CB -0.188 28.512 28.738 -0.064 0.000 0.907 456 Q HN 0.376 nan 8.270 nan 0.000 0.439 457 L N 0.437 121.615 121.223 -0.074 0.000 2.056 457 L HA -0.070 4.270 4.340 -0.000 0.000 0.207 457 L C 0.624 177.482 176.870 -0.021 0.000 1.078 457 L CA 0.392 55.215 54.840 -0.028 0.000 0.749 457 L CB -0.174 41.811 42.059 -0.123 0.000 0.901 457 L HN 0.336 nan 8.230 nan 0.000 0.433 458 N N 1.415 120.070 118.700 -0.074 0.000 2.681 458 N HA -0.196 4.544 4.740 -0.000 0.000 0.259 458 N C -0.052 175.462 175.510 0.007 0.000 1.066 458 N CA 0.549 53.579 53.050 -0.033 0.000 0.717 458 N CB -0.500 37.988 38.487 0.002 0.000 0.885 458 N HN 0.280 nan 8.380 nan 0.000 0.547 459 K N 0.625 120.998 120.400 -0.046 0.000 2.447 459 K HA 0.087 4.407 4.320 -0.000 0.000 0.281 459 K C 0.719 177.376 176.600 0.094 0.000 1.031 459 K CA 0.757 57.093 56.287 0.081 0.000 1.019 459 K CB 0.583 33.085 32.500 0.003 0.000 0.918 459 K HN 0.248 nan 8.250 nan 0.000 0.476 460 T N 2.036 116.668 114.554 0.130 0.000 3.238 460 T HA -0.045 4.305 4.350 -0.000 0.000 0.242 460 T C -0.530 174.222 174.700 0.087 0.000 0.980 460 T CA -0.044 62.107 62.100 0.086 0.000 1.235 460 T CB -0.050 68.861 68.868 0.071 0.000 1.069 460 T HN 0.676 nan 8.240 nan 0.000 0.407 461 D N 2.932 123.389 120.400 0.095 0.000 2.363 461 D HA 0.132 4.772 4.640 -0.000 0.000 0.263 461 D C -1.901 174.451 176.300 0.088 0.000 1.258 461 D CA -1.998 52.047 54.000 0.074 0.000 0.907 461 D CB 1.482 42.317 40.800 0.058 0.000 1.107 461 D HN 0.029 nan 8.370 nan 0.000 0.495 462 P HA -0.098 nan 4.420 nan 0.000 0.221 462 P C 0.326 177.667 177.300 0.068 0.000 1.145 462 P CA 0.956 64.100 63.100 0.074 0.000 0.795 462 P CB 0.248 31.981 31.700 0.055 0.000 0.775 463 E N -1.907 118.324 120.200 0.052 0.000 2.476 463 E HA 0.074 4.424 4.350 -0.000 0.000 0.191 463 E C 0.312 176.920 176.600 0.014 0.000 1.064 463 E CA -0.098 56.325 56.400 0.039 0.000 0.866 463 E CB -0.081 29.639 29.700 0.033 0.000 0.952 463 E HN 0.183 nan 8.360 nan 0.000 0.492 464 M N 1.590 121.194 119.600 0.006 0.000 2.185 464 M HA 0.172 4.652 4.480 -0.000 0.000 0.357 464 M C -0.253 175.908 176.300 -0.232 0.000 1.260 464 M CA 0.020 55.244 55.300 -0.127 0.000 1.124 464 M CB 0.740 33.269 32.600 -0.118 0.000 1.600 464 M HN -0.084 nan 8.290 nan 0.000 0.467 465 N N 3.283 121.716 118.700 -0.445 0.000 2.361 465 N HA 0.411 5.151 4.740 -0.000 0.000 0.302 465 N C -1.621 173.299 175.510 -0.982 0.000 1.074 465 N CA -0.278 52.435 53.050 -0.562 0.000 0.850 465 N CB 1.561 39.704 38.487 -0.573 0.000 1.228 465 N HN 0.401 nan 8.380 nan 0.000 0.491 466 Y N 1.362 121.398 120.300 -0.440 0.000 2.328 466 Y HA 0.388 4.938 4.550 -0.000 0.000 0.333 466 Y C -0.483 175.273 175.900 -0.239 0.000 0.958 466 Y CA -0.662 57.285 58.100 -0.255 0.000 1.167 466 Y CB 0.856 39.293 38.460 -0.038 0.000 1.151 466 Y HN 0.384 nan 8.280 nan 0.000 0.470 467 Y N 3.162 123.540 120.300 0.129 0.000 2.468 467 Y HA 0.631 5.181 4.550 -0.000 0.000 0.342 467 Y C -0.841 175.077 175.900 0.029 0.000 1.021 467 Y CA -1.474 56.620 58.100 -0.009 0.000 1.079 467 Y CB 2.125 40.487 38.460 -0.163 0.000 1.226 467 Y HN 0.403 nan 8.280 nan 0.000 0.460 468 L N 4.095 125.363 121.223 0.075 0.000 2.362 468 L HA 0.652 4.992 4.340 -0.000 0.000 0.275 468 L C -1.711 175.243 176.870 0.141 0.000 0.998 468 L CA -0.707 54.103 54.840 -0.050 0.000 0.820 468 L CB 1.549 43.396 42.059 -0.353 0.000 1.270 468 L HN 0.621 nan 8.230 nan 0.000 0.415 469 L N 4.662 126.002 121.223 0.195 0.000 2.354 469 L HA 0.995 5.335 4.340 -0.000 0.000 0.264 469 L C -1.169 175.695 176.870 -0.010 0.000 1.008 469 L CA -0.241 54.758 54.840 0.266 0.000 0.819 469 L CB 2.222 44.453 42.059 0.288 0.000 1.339 469 L HN 0.728 nan 8.230 nan 0.000 0.420 470 A N 2.358 124.912 122.820 -0.444 0.000 2.457 470 A HA 0.810 5.130 4.320 -0.000 0.000 0.283 470 A C -0.742 176.419 177.584 -0.705 0.000 1.166 470 A CA -0.227 51.337 52.037 -0.788 0.000 0.740 470 A CB 0.764 18.858 19.000 -1.510 0.000 1.181 470 A HN 0.740 nan 8.150 nan 0.000 0.446 471 T N 0.514 114.730 114.554 -0.562 0.000 2.696 471 T HA 0.606 4.956 4.350 -0.000 0.000 0.291 471 T C -0.596 173.835 174.700 -0.450 0.000 1.095 471 T CA -0.498 61.328 62.100 -0.457 0.000 1.026 471 T CB 0.619 69.335 68.868 -0.253 0.000 1.390 471 T HN 0.327 nan 8.240 nan 0.000 0.513 472 F N 1.751 121.569 119.950 -0.219 0.000 2.412 472 F HA 0.552 5.079 4.527 -0.000 0.000 0.348 472 F C 0.602 176.381 175.800 -0.037 0.000 1.102 472 F CA -0.638 57.295 58.000 -0.111 0.000 1.196 472 F CB 0.574 39.551 39.000 -0.039 0.000 1.144 472 F HN 0.331 nan 8.300 nan 0.000 0.541 473 I N 0.038 120.714 120.570 0.177 0.000 2.785 473 I HA 0.687 4.857 4.170 -0.000 0.000 0.302 473 I C -1.453 174.879 176.117 0.359 0.000 1.069 473 I CA -0.699 60.729 61.300 0.214 0.000 1.045 473 I CB 2.342 40.251 38.000 -0.152 0.000 1.236 473 I HN 0.372 nan 8.210 nan 0.000 0.429 474 D N 2.017 122.756 120.400 0.565 0.000 2.609 474 D HA 0.232 4.872 4.640 -0.000 0.000 0.239 474 D C 0.353 176.951 176.300 0.495 0.000 1.229 474 D CA -0.235 54.079 54.000 0.523 0.000 0.808 474 D CB 2.674 43.697 40.800 0.372 0.000 1.448 474 D HN 0.712 nan 8.370 nan 0.000 0.433 475 S N -0.006 115.847 115.700 0.256 0.000 2.489 475 S HA 0.277 4.747 4.470 -0.000 0.000 0.228 475 S C 0.763 175.361 174.600 -0.004 0.000 0.995 475 S CA 0.109 58.322 58.200 0.021 0.000 0.934 475 S CB 0.217 63.355 63.200 -0.103 0.000 0.771 475 S HN 0.533 nan 8.310 nan 0.000 0.522 476 A N 1.118 123.915 122.820 -0.038 0.000 2.342 476 A HA 0.835 5.155 4.320 -0.000 0.000 0.323 476 A C 0.233 177.624 177.584 -0.321 0.000 1.125 476 A CA -0.506 51.402 52.037 -0.216 0.000 0.785 476 A CB 0.830 19.779 19.000 -0.085 0.000 1.221 476 A HN 0.721 nan 8.150 nan 0.000 0.463 477 A N 2.051 124.490 122.820 -0.636 0.000 2.598 477 A HA 0.330 4.650 4.320 -0.000 0.000 0.239 477 A C 0.148 177.713 177.584 -0.031 0.000 1.032 477 A CA 0.434 52.266 52.037 -0.342 0.000 0.760 477 A CB -0.545 18.340 19.000 -0.192 0.000 0.946 477 A HN 0.723 nan 8.150 nan 0.000 0.512 478 I N 3.005 123.622 120.570 0.078 0.000 2.322 478 I HA 0.072 4.242 4.170 -0.000 0.000 0.292 478 I C 0.534 176.670 176.117 0.033 0.000 1.060 478 I CA -0.108 61.245 61.300 0.088 0.000 1.309 478 I CB 0.612 38.640 38.000 0.047 0.000 1.415 478 I HN 0.582 nan 8.210 nan 0.000 0.492 479 T N 9.034 123.618 114.554 0.051 0.000 2.792 479 T HA 0.020 4.370 4.350 -0.000 0.000 0.286 479 T C -1.390 173.304 174.700 -0.009 0.000 0.970 479 T CA -0.588 61.530 62.100 0.030 0.000 1.187 479 T CB 0.464 69.364 68.868 0.054 0.000 0.915 479 T HN 0.438 nan 8.240 nan 0.000 0.529 480 P HA -0.143 nan 4.420 nan 0.000 0.217 480 P C 1.707 178.989 177.300 -0.030 0.000 1.148 480 P CA 1.082 64.164 63.100 -0.029 0.000 0.834 480 P CB -0.013 31.684 31.700 -0.004 0.000 0.783 481 T N -5.848 108.701 114.554 -0.007 0.000 3.100 481 T HA 0.095 4.445 4.350 -0.000 0.000 0.253 481 T C 1.514 176.220 174.700 0.010 0.000 1.118 481 T CA 0.437 62.537 62.100 0.001 0.000 1.058 481 T CB -0.578 68.297 68.868 0.013 0.000 0.953 481 T HN -0.058 nan 8.240 nan 0.000 0.515 482 N N 0.712 119.420 118.700 0.014 0.000 2.245 482 N HA 0.221 4.961 4.740 -0.000 0.000 0.185 482 N C 0.536 176.044 175.510 -0.004 0.000 1.036 482 N CA 0.628 53.722 53.050 0.074 0.000 0.857 482 N CB -0.080 38.517 38.487 0.185 0.000 1.015 482 N HN 0.298 nan 8.380 nan 0.000 0.436 483 M N 2.062 121.510 119.600 -0.253 0.000 2.055 483 M HA 0.179 4.659 4.480 -0.000 0.000 0.346 483 M C 0.232 176.345 176.300 -0.312 0.000 1.074 483 M CA 0.110 55.038 55.300 -0.619 0.000 1.009 483 M CB 0.099 31.721 32.600 -1.631 0.000 1.423 483 M HN 0.220 nan 8.290 nan 0.000 0.410 484 T N 0.577 115.037 114.554 -0.157 0.000 3.081 484 T HA 0.179 4.529 4.350 -0.000 0.000 0.250 484 T C 0.693 175.380 174.700 -0.022 0.000 1.100 484 T CA -0.008 62.051 62.100 -0.068 0.000 1.038 484 T CB 0.211 69.062 68.868 -0.028 0.000 0.962 484 T HN 0.579 nan 8.240 nan 0.000 0.516 485 Q N 2.206 122.011 119.800 0.009 0.000 2.386 485 Q HA 0.132 4.472 4.340 -0.000 0.000 0.282 485 Q C -1.655 174.391 176.000 0.078 0.000 1.050 485 Q CA -1.229 54.631 55.803 0.094 0.000 0.918 485 Q CB 0.971 29.863 28.738 0.257 0.000 1.266 485 Q HN 0.242 nan 8.270 nan 0.000 0.423 486 P HA -0.062 nan 4.420 nan 0.000 0.224 486 P C -0.758 176.607 177.300 0.108 0.000 1.157 486 P CA 1.044 64.197 63.100 0.089 0.000 0.799 486 P CB 0.539 32.295 31.700 0.094 0.000 0.809 487 D N -3.337 117.132 120.400 0.114 0.000 2.809 487 D HA 0.107 4.747 4.640 -0.000 0.000 0.336 487 D C -0.556 175.735 176.300 -0.014 0.000 1.367 487 D CA -0.732 53.282 54.000 0.023 0.000 0.815 487 D CB 0.303 41.185 40.800 0.138 0.000 1.381 487 D HN -0.189 nan 8.370 nan 0.000 0.471 488 V N -2.651 117.086 119.914 -0.294 0.000 2.933 488 V HA 0.427 4.547 4.120 -0.000 0.000 0.374 488 V C -0.075 175.929 176.094 -0.151 0.000 1.321 488 V CA -0.615 61.471 62.300 -0.357 0.000 1.290 488 V CB -0.747 30.505 31.823 -0.952 0.000 1.346 488 V HN 0.632 nan 8.190 nan 0.000 0.560 489 W N 0.090 121.424 121.300 0.057 0.000 2.800 489 W HA 0.205 4.865 4.660 -0.000 0.000 0.249 489 W C 1.162 177.751 176.519 0.118 0.000 1.294 489 W CA 0.042 57.436 57.345 0.081 0.000 1.402 489 W CB 0.392 29.888 29.460 0.060 0.000 1.126 489 W HN 0.397 nan 8.180 nan 0.000 0.652 490 D N 1.040 121.659 120.400 0.365 0.000 2.498 490 D HA 0.366 5.006 4.640 -0.000 0.000 0.229 490 D C -0.150 176.308 176.300 0.263 0.000 1.188 490 D CA 0.310 54.459 54.000 0.249 0.000 1.028 490 D CB -0.344 40.528 40.800 0.119 0.000 1.087 490 D HN 0.010 nan 8.370 nan 0.000 0.510 491 A N 2.176 125.151 122.820 0.258 0.000 2.557 491 A HA 0.564 4.884 4.320 -0.000 0.000 0.292 491 A C -1.722 175.996 177.584 0.224 0.000 1.139 491 A CA -0.883 51.282 52.037 0.213 0.000 0.665 491 A CB 0.652 19.750 19.000 0.163 0.000 1.285 491 A HN 0.354 nan 8.150 nan 0.000 0.433 492 L N 0.761 122.096 121.223 0.187 0.000 2.260 492 L HA 0.710 5.050 4.340 -0.000 0.000 0.289 492 L C -0.915 176.101 176.870 0.243 0.000 1.057 492 L CA -0.378 54.575 54.840 0.189 0.000 0.811 492 L CB 0.829 42.967 42.059 0.131 0.000 1.184 492 L HN 0.703 nan 8.230 nan 0.000 0.429 493 L N 5.024 126.442 121.223 0.325 0.000 2.307 493 L HA 0.651 4.991 4.340 -0.000 0.000 0.284 493 L C -0.486 176.587 176.870 0.338 0.000 1.023 493 L CA 0.305 55.390 54.840 0.409 0.000 0.810 493 L CB 1.825 44.228 42.059 0.574 0.000 1.231 493 L HN 0.671 nan 8.230 nan 0.000 0.423 494 T N 6.526 121.240 114.554 0.266 0.000 2.786 494 T HA 0.538 4.888 4.350 -0.000 0.000 0.283 494 T C -0.177 174.586 174.700 0.105 0.000 0.992 494 T CA -0.272 61.924 62.100 0.161 0.000 0.954 494 T CB 0.811 69.737 68.868 0.098 0.000 0.934 494 T HN 0.558 nan 8.240 nan 0.000 0.440 495 M N 2.528 122.162 119.600 0.055 0.000 2.300 495 M HA 0.489 4.969 4.480 -0.000 0.000 0.348 495 M C -0.359 175.866 176.300 -0.125 0.000 1.151 495 M CA -0.482 54.724 55.300 -0.158 0.000 1.046 495 M CB 1.639 34.091 32.600 -0.247 0.000 1.647 495 M HN 0.448 nan 8.290 nan 0.000 0.451 496 S N 3.646 119.241 115.700 -0.175 0.000 2.647 496 S HA 0.509 4.979 4.470 -0.000 0.000 0.300 496 S C -2.614 171.905 174.600 -0.135 0.000 1.129 496 S CA -1.255 56.876 58.200 -0.115 0.000 1.029 496 S CB 1.591 64.749 63.200 -0.070 0.000 1.007 496 S HN 0.360 nan 8.310 nan 0.000 0.484 497 P HA 0.187 nan 4.420 nan 0.000 0.268 497 P C -0.396 176.858 177.300 -0.077 0.000 1.205 497 P CA -0.150 62.892 63.100 -0.097 0.000 0.771 497 P CB 0.412 32.069 31.700 -0.072 0.000 0.858 498 L N 1.832 123.012 121.223 -0.072 0.000 3.034 498 L HA 0.354 4.694 4.340 -0.000 0.000 0.245 498 L C 0.401 177.236 176.870 -0.059 0.000 1.295 498 L CA 0.215 55.015 54.840 -0.067 0.000 1.068 498 L CB -0.071 41.941 42.059 -0.078 0.000 1.426 498 L HN 0.390 nan 8.230 nan 0.000 0.531 499 S N -0.523 115.147 115.700 -0.049 0.000 2.606 499 S HA 0.554 5.024 4.470 -0.000 0.000 0.290 499 S C -0.560 174.021 174.600 -0.032 0.000 1.103 499 S CA 0.105 58.282 58.200 -0.040 0.000 0.870 499 S CB 1.499 64.676 63.200 -0.038 0.000 1.077 499 S HN 0.117 nan 8.310 nan 0.000 0.448 500 A N 2.259 125.063 122.820 -0.026 0.000 2.606 500 A HA 0.630 4.950 4.320 -0.000 0.000 0.290 500 A C 1.071 178.649 177.584 -0.009 0.000 1.174 500 A CA 0.395 52.419 52.037 -0.022 0.000 0.958 500 A CB -0.344 18.640 19.000 -0.028 0.000 1.194 500 A HN 1.276 nan 8.150 nan 0.000 0.526 501 G N -0.766 108.032 108.800 -0.004 0.000 3.274 501 G HA2 0.347 4.307 3.960 -0.000 0.000 0.250 501 G HA3 0.347 4.307 3.960 -0.000 0.000 0.250 501 G C 0.068 174.981 174.900 0.021 0.000 1.024 501 G CA -0.051 45.054 45.100 0.009 0.000 0.840 501 G HN 0.432 nan 8.290 nan 0.000 0.522 502 E N -0.042 120.169 120.200 0.018 0.000 2.238 502 E HA 0.610 4.960 4.350 -0.000 0.000 0.267 502 E C -1.385 175.240 176.600 0.041 0.000 0.887 502 E CA -0.649 55.767 56.400 0.027 0.000 0.769 502 E CB 3.280 32.988 29.700 0.013 0.000 1.187 502 E HN -0.074 nan 8.360 nan 0.000 0.416 503 V N 1.487 121.437 119.914 0.059 0.000 2.876 503 V HA 0.478 4.598 4.120 -0.000 0.000 0.312 503 V C -0.102 176.029 176.094 0.061 0.000 1.085 503 V CA -0.657 61.691 62.300 0.080 0.000 0.945 503 V CB 2.218 34.129 31.823 0.146 0.000 1.017 503 V HN 0.920 nan 8.190 nan 0.000 0.428 504 T N 0.658 115.249 114.554 0.062 0.000 2.930 504 T HA 0.833 5.183 4.350 -0.000 0.000 0.290 504 T C -1.070 173.684 174.700 0.092 0.000 1.052 504 T CA -0.787 61.348 62.100 0.059 0.000 1.017 504 T CB 1.949 70.840 68.868 0.038 0.000 1.137 504 T HN 0.378 nan 8.240 nan 0.000 0.511 505 V N 2.491 122.463 119.914 0.096 0.000 2.419 505 V HA 0.493 4.613 4.120 -0.000 0.000 0.287 505 V C -0.056 176.111 176.094 0.121 0.000 1.017 505 V CA -1.043 61.342 62.300 0.141 0.000 0.844 505 V CB 0.973 32.855 31.823 0.099 0.000 1.011 505 V HN 1.078 nan 8.190 nan 0.000 0.429 506 K N 3.899 124.405 120.400 0.176 0.000 3.150 506 K HA -0.241 4.079 4.320 -0.000 0.000 0.267 506 K C 1.092 177.779 176.600 0.144 0.000 1.028 506 K CA 0.715 57.075 56.287 0.123 0.000 0.753 506 K CB -1.338 31.143 32.500 -0.031 0.000 1.288 506 K HN 1.540 nan 8.250 nan 0.000 0.473 507 G N -1.805 107.102 108.800 0.178 0.000 2.254 507 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.225 507 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.225 507 G C 0.021 174.984 174.900 0.105 0.000 1.003 507 G CA 0.146 45.370 45.100 0.207 0.000 0.622 507 G HN 1.016 nan 8.290 nan 0.000 0.507 508 A N -0.120 122.747 122.820 0.079 0.000 2.401 508 A HA 0.854 5.174 4.320 -0.000 0.000 0.310 508 A C 0.159 177.771 177.584 0.047 0.000 1.075 508 A CA 0.019 52.090 52.037 0.058 0.000 0.746 508 A CB 1.925 20.959 19.000 0.057 0.000 1.277 508 A HN 1.258 nan 8.150 nan 0.000 0.425 509 V N 1.160 121.099 119.914 0.042 0.000 2.872 509 V HA 0.372 4.492 4.120 -0.000 0.000 0.307 509 V C 0.419 176.532 176.094 0.033 0.000 1.072 509 V CA 0.307 62.629 62.300 0.038 0.000 1.148 509 V CB 0.879 32.725 31.823 0.038 0.000 0.954 509 V HN 1.180 nan 8.190 nan 0.000 0.490 510 V N 1.065 120.996 119.914 0.029 0.000 2.841 510 V HA 0.559 4.679 4.120 -0.000 0.000 0.310 510 V C 0.561 176.665 176.094 0.017 0.000 1.090 510 V CA 0.122 62.434 62.300 0.019 0.000 0.930 510 V CB 1.678 33.507 31.823 0.010 0.000 1.014 510 V HN 0.860 nan 8.190 nan 0.000 0.425 511 S N 1.463 117.170 115.700 0.012 0.000 2.522 511 S HA 0.157 4.627 4.470 -0.000 0.000 0.227 511 S C 0.380 174.987 174.600 0.011 0.000 0.986 511 S CA 0.671 58.880 58.200 0.014 0.000 0.929 511 S CB -0.596 62.611 63.200 0.012 0.000 0.769 511 S HN 1.180 nan 8.310 nan 0.000 0.529 512 E N -0.588 119.609 120.200 -0.005 0.000 2.407 512 E HA 0.630 4.980 4.350 -0.000 0.000 0.279 512 E C -1.777 174.778 176.600 -0.074 0.000 1.012 512 E CA -1.226 55.160 56.400 -0.024 0.000 0.800 512 E CB 1.702 31.392 29.700 -0.016 0.000 1.276 512 E HN -0.005 nan 8.360 nan 0.000 0.452 513 V N 0.601 120.424 119.914 -0.152 0.000 2.864 513 V HA 0.428 4.548 4.120 -0.000 0.000 0.314 513 V C -0.527 175.420 176.094 -0.246 0.000 1.073 513 V CA -0.969 61.167 62.300 -0.272 0.000 0.956 513 V CB 1.964 33.406 31.823 -0.635 0.000 1.023 513 V HN 0.605 nan 8.190 nan 0.000 0.435 514 V N 4.641 124.438 119.914 -0.196 0.000 2.250 514 V HA 0.231 4.351 4.120 -0.000 0.000 0.268 514 V C -1.603 174.415 176.094 -0.126 0.000 1.043 514 V CA -1.313 60.916 62.300 -0.118 0.000 0.814 514 V CB 0.933 32.723 31.823 -0.055 0.000 1.072 514 V HN 0.742 nan 8.190 nan 0.000 0.451 515 P HA -0.313 nan 4.420 nan 0.000 0.219 515 P C 1.726 179.052 177.300 0.043 0.000 1.161 515 P CA 2.384 65.451 63.100 -0.055 0.000 0.909 515 P CB 0.277 32.048 31.700 0.119 0.000 0.793 516 A N -0.442 122.430 122.820 0.087 0.000 2.024 516 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 516 A C 1.981 179.604 177.584 0.063 0.000 1.164 516 A CA 1.540 53.649 52.037 0.120 0.000 0.643 516 A CB -0.915 18.155 19.000 0.117 0.000 0.806 516 A HN 0.156 nan 8.150 nan 0.000 0.451 517 E N -0.214 120.003 120.200 0.028 0.000 2.435 517 E HA 0.040 4.390 4.350 -0.000 0.000 0.195 517 E C 1.725 178.346 176.600 0.034 0.000 1.029 517 E CA 0.208 56.622 56.400 0.023 0.000 0.865 517 E CB -0.181 29.523 29.700 0.007 0.000 0.833 517 E HN 0.684 nan 8.360 nan 0.000 0.510 518 L N 0.613 121.853 121.223 0.028 0.000 2.179 518 L HA -0.015 4.325 4.340 -0.000 0.000 0.208 518 L C 0.844 177.742 176.870 0.047 0.000 1.096 518 L CA 0.154 55.033 54.840 0.066 0.000 0.779 518 L CB -0.075 41.990 42.059 0.009 0.000 0.922 518 L HN 0.044 nan 8.230 nan 0.000 0.443 519 I N 1.639 122.199 120.570 -0.017 0.000 2.906 519 I HA -0.089 4.081 4.170 -0.000 0.000 0.301 519 I C 1.560 177.683 176.117 0.010 0.000 1.221 519 I CA 1.027 62.295 61.300 -0.053 0.000 1.435 519 I CB -0.842 37.136 38.000 -0.037 0.000 1.345 519 I HN 0.414 nan 8.210 nan 0.000 0.558 520 G N 5.029 113.834 108.800 0.009 0.000 2.258 520 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.274 520 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.274 520 G C 0.718 175.659 174.900 0.069 0.000 1.021 520 G CA 0.773 45.897 45.100 0.040 0.000 0.798 520 G HN 0.855 nan 8.290 nan 0.000 0.507 521 S N -1.924 113.854 115.700 0.129 0.000 2.578 521 S HA 0.522 4.992 4.470 -0.000 0.000 0.231 521 S C 0.189 174.824 174.600 0.060 0.000 0.994 521 S CA -0.430 57.824 58.200 0.090 0.000 0.956 521 S CB 0.466 63.704 63.200 0.063 0.000 0.870 521 S HN 0.365 nan 8.310 nan 0.000 0.494 522 Y N 2.850 123.146 120.300 -0.008 0.000 2.364 522 Y HA 0.551 5.101 4.550 -0.000 0.000 0.340 522 Y C 0.833 176.733 175.900 0.001 0.000 0.975 522 Y CA -0.968 57.132 58.100 0.000 0.000 1.089 522 Y CB 1.676 40.138 38.460 0.004 0.000 1.192 522 Y HN 0.216 nan 8.280 nan 0.000 0.454 523 T N 0.112 114.727 114.554 0.102 0.000 2.902 523 T HA 0.300 4.650 4.350 -0.000 0.000 0.280 523 T C -2.116 172.642 174.700 0.097 0.000 0.992 523 T CA -2.122 60.019 62.100 0.069 0.000 1.015 523 T CB 1.677 70.559 68.868 0.023 0.000 1.044 523 T HN 0.282 nan 8.240 nan 0.000 0.520 524 P HA -0.064 nan 4.420 nan 0.000 0.216 524 P C 1.264 178.604 177.300 0.067 0.000 1.150 524 P CA 1.005 64.142 63.100 0.061 0.000 0.837 524 P CB 0.071 31.794 31.700 0.037 0.000 0.786 525 E N -0.751 119.479 120.200 0.050 0.000 2.038 525 E HA -0.137 4.213 4.350 -0.000 0.000 0.195 525 E C 2.181 178.822 176.600 0.069 0.000 1.000 525 E CA 1.627 58.053 56.400 0.043 0.000 0.803 525 E CB -1.021 28.687 29.700 0.015 0.000 0.750 525 E HN 0.122 nan 8.360 nan 0.000 0.448 526 S N 0.347 116.091 115.700 0.073 0.000 2.368 526 S HA -0.133 4.337 4.470 -0.000 0.000 0.225 526 S C 1.824 176.565 174.600 0.236 0.000 1.030 526 S CA 0.862 59.121 58.200 0.099 0.000 0.999 526 S CB -0.295 62.905 63.200 -0.001 0.000 0.844 526 S HN 0.145 nan 8.310 nan 0.000 0.459 527 L N 2.959 124.350 121.223 0.280 0.000 2.017 527 L HA -0.058 4.282 4.340 -0.000 0.000 0.208 527 L C 2.011 178.992 176.870 0.185 0.000 1.073 527 L CA 1.729 56.726 54.840 0.261 0.000 0.745 527 L CB -0.882 41.261 42.059 0.140 0.000 0.894 527 L HN 0.293 nan 8.230 nan 0.000 0.432 528 N N -0.342 118.444 118.700 0.145 0.000 2.205 528 N HA -0.182 4.558 4.740 -0.000 0.000 0.186 528 N C 1.516 177.178 175.510 0.253 0.000 1.015 528 N CA 1.352 54.484 53.050 0.136 0.000 0.862 528 N CB 0.090 38.631 38.487 0.091 0.000 0.986 528 N HN 0.511 nan 8.380 nan 0.000 0.429 529 A N 0.434 123.414 122.820 0.266 0.000 2.178 529 A HA 0.085 4.404 4.320 -0.000 0.000 0.211 529 A C 1.016 178.902 177.584 0.502 0.000 1.157 529 A CA 0.141 52.390 52.037 0.354 0.000 0.780 529 A CB -0.286 18.791 19.000 0.128 0.000 0.828 529 A HN 0.457 nan 8.150 nan 0.000 0.476 530 S N -0.160 115.780 115.700 0.400 0.000 2.576 530 S HA 0.453 4.923 4.470 -0.000 0.000 0.272 530 S C 0.124 174.917 174.600 0.322 0.000 1.352 530 S CA -0.523 57.892 58.200 0.359 0.000 1.021 530 S CB 0.198 63.580 63.200 0.303 0.000 0.887 530 S HN 0.298 nan 8.310 nan 0.000 0.542 531 L N 1.794 123.091 121.223 0.124 0.000 2.453 531 L HA 0.288 4.628 4.340 -0.000 0.000 0.261 531 L C -1.437 175.452 176.870 0.032 0.000 1.179 531 L CA -2.105 52.697 54.840 -0.063 0.000 0.813 531 L CB 0.146 42.046 42.059 -0.265 0.000 1.110 531 L HN 0.466 nan 8.230 nan 0.000 0.466 532 P HA -0.144 nan 4.420 nan 0.000 0.220 532 P C 0.111 177.399 177.300 -0.021 0.000 1.144 532 P CA 1.124 64.221 63.100 -0.005 0.000 0.800 532 P CB -0.043 31.632 31.700 -0.042 0.000 0.772 533 N N -1.745 116.937 118.700 -0.030 0.000 2.320 533 N HA 0.018 4.758 4.740 -0.000 0.000 0.237 533 N C -0.269 175.258 175.510 0.028 0.000 1.129 533 N CA -0.196 52.848 53.050 -0.009 0.000 0.854 533 N CB -0.767 37.707 38.487 -0.022 0.000 1.083 533 N HN 0.007 nan 8.380 nan 0.000 0.504 534 D N 0.219 120.644 120.400 0.042 0.000 2.345 534 D HA 0.201 4.841 4.640 -0.000 0.000 0.247 534 D C 0.930 177.283 176.300 0.088 0.000 1.108 534 D CA -0.089 53.959 54.000 0.080 0.000 0.894 534 D CB 1.682 42.545 40.800 0.105 0.000 1.203 534 D HN 0.230 nan 8.370 nan 0.000 0.430 535 A N 4.044 126.943 122.820 0.132 0.000 1.940 535 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 535 A C 2.094 179.766 177.584 0.147 0.000 1.176 535 A CA 2.170 54.339 52.037 0.219 0.000 0.631 535 A CB -0.609 18.460 19.000 0.114 0.000 0.814 535 A HN 0.688 nan 8.150 nan 0.000 0.446 536 A N -0.049 122.720 122.820 -0.084 0.000 1.865 536 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 536 A C 2.217 179.701 177.584 -0.168 0.000 1.191 536 A CA 1.681 53.530 52.037 -0.314 0.000 0.623 536 A CB -0.573 17.843 19.000 -0.973 0.000 0.826 536 A HN 0.562 nan 8.150 nan 0.000 0.444 537 R N -1.198 119.228 120.500 -0.123 0.000 2.103 537 R HA -0.214 4.126 4.340 -0.000 0.000 0.242 537 R C 2.387 178.650 176.300 -0.062 0.000 1.142 537 R CA 1.577 57.629 56.100 -0.080 0.000 0.960 537 R CB -1.038 29.235 30.300 -0.044 0.000 0.858 537 R HN 0.701 nan 8.270 nan 0.000 0.439 538 C N 0.449 119.731 119.300 -0.030 0.000 2.453 538 C HA -0.052 4.408 4.460 -0.000 0.000 0.277 538 C C 2.656 177.572 174.990 -0.124 0.000 1.262 538 C CA 0.732 59.694 59.018 -0.093 0.000 1.718 538 C CB -0.654 27.025 27.740 -0.102 0.000 2.031 538 C HN 0.507 nan 8.230 nan 0.000 0.480 539 M N 1.084 120.696 119.600 0.021 0.000 2.106 539 M HA -0.111 4.369 4.480 -0.000 0.000 0.259 539 M C 1.732 178.015 176.300 -0.029 0.000 1.068 539 M CA 2.058 57.403 55.300 0.074 0.000 1.100 539 M CB -0.795 31.889 32.600 0.140 0.000 1.351 539 M HN 0.459 nan 8.290 nan 0.000 0.404 540 I N -0.184 120.347 120.570 -0.065 0.000 2.226 540 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 540 I C 1.627 177.714 176.117 -0.050 0.000 1.100 540 I CA 1.339 62.598 61.300 -0.069 0.000 1.374 540 I CB -0.816 37.131 38.000 -0.089 0.000 1.057 540 I HN 0.282 nan 8.210 nan 0.000 0.413 541 D N 0.481 120.843 120.400 -0.064 0.000 2.224 541 D HA -0.086 4.554 4.640 -0.000 0.000 0.205 541 D C 2.319 178.593 176.300 -0.043 0.000 0.965 541 D CA 0.875 54.839 54.000 -0.061 0.000 0.852 541 D CB -0.081 40.673 40.800 -0.075 0.000 0.947 541 D HN 0.300 nan 8.370 nan 0.000 0.494 542 R N 0.460 120.932 120.500 -0.046 0.000 2.075 542 R HA 0.097 4.437 4.340 -0.000 0.000 0.226 542 R C 2.246 178.604 176.300 0.096 0.000 1.114 542 R CA 0.937 57.032 56.100 -0.010 0.000 0.972 542 R CB -0.083 30.185 30.300 -0.054 0.000 0.869 542 R HN 0.040 nan 8.270 nan 0.000 0.437 543 A N 1.042 123.947 122.820 0.142 0.000 1.933 543 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 543 A C 2.107 179.860 177.584 0.281 0.000 1.175 543 A CA 1.898 54.128 52.037 0.322 0.000 0.628 543 A CB -0.543 18.603 19.000 0.243 0.000 0.814 543 A HN 0.436 nan 8.150 nan 0.000 0.444 544 S N -0.111 115.634 115.700 0.074 0.000 2.469 544 S HA -0.140 4.330 4.470 -0.000 0.000 0.238 544 S C 1.649 176.247 174.600 -0.002 0.000 0.998 544 S CA 1.420 59.595 58.200 -0.042 0.000 0.957 544 S CB -0.301 62.852 63.200 -0.079 0.000 0.764 544 S HN 0.633 nan 8.310 nan 0.000 0.514 545 K N 0.410 120.839 120.400 0.049 0.000 2.217 545 K HA 0.158 4.478 4.320 -0.000 0.000 0.202 545 K C 1.732 178.381 176.600 0.082 0.000 1.051 545 K CA 0.782 57.095 56.287 0.042 0.000 0.952 545 K CB -0.153 32.368 32.500 0.036 0.000 0.736 545 K HN 0.340 nan 8.250 nan 0.000 0.453 546 I N 1.050 121.721 120.570 0.169 0.000 2.286 546 I HA -0.155 4.015 4.170 -0.000 0.000 0.245 546 I C 2.457 178.715 176.117 0.235 0.000 1.104 546 I CA 1.069 62.507 61.300 0.229 0.000 1.397 546 I CB -1.251 36.975 38.000 0.378 0.000 1.072 546 I HN 0.057 nan 8.210 nan 0.000 0.417 547 A N 0.505 123.437 122.820 0.187 0.000 1.908 547 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 547 A C 2.356 179.929 177.584 -0.018 0.000 1.181 547 A CA 1.963 53.982 52.037 -0.029 0.000 0.627 547 A CB -0.743 17.947 19.000 -0.516 0.000 0.818 547 A HN 0.499 nan 8.150 nan 0.000 0.445 548 E N -0.284 119.903 120.200 -0.023 0.000 2.077 548 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 548 E C 2.144 178.748 176.600 0.006 0.000 0.989 548 E CA 1.023 57.411 56.400 -0.020 0.000 0.800 548 E CB -0.249 29.438 29.700 -0.022 0.000 0.746 548 E HN 0.560 nan 8.360 nan 0.000 0.452 549 A N 1.061 123.899 122.820 0.031 0.000 1.877 549 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 549 A C 2.161 179.767 177.584 0.037 0.000 1.186 549 A CA 1.399 53.456 52.037 0.033 0.000 0.620 549 A CB -0.662 18.365 19.000 0.044 0.000 0.822 549 A HN 0.324 nan 8.150 nan 0.000 0.443 550 I N -0.791 119.817 120.570 0.064 0.000 2.264 550 I HA -0.247 3.923 4.170 -0.000 0.000 0.248 550 I C 2.489 178.630 176.117 0.040 0.000 1.111 550 I CA 1.820 63.160 61.300 0.066 0.000 1.382 550 I CB -0.203 37.869 38.000 0.120 0.000 1.060 550 I HN 0.223 nan 8.210 nan 0.000 0.418 551 K N 1.545 121.960 120.400 0.025 0.000 2.155 551 K HA -0.032 4.288 4.320 -0.000 0.000 0.203 551 K C 1.830 178.430 176.600 -0.001 0.000 1.052 551 K CA 1.235 57.525 56.287 0.005 0.000 0.948 551 K CB -0.259 32.233 32.500 -0.013 0.000 0.728 551 K HN 0.258 nan 8.250 nan 0.000 0.448 552 I N 0.681 121.251 120.570 0.000 0.000 2.361 552 I HA -0.236 3.934 4.170 -0.000 0.000 0.251 552 I C 2.095 178.210 176.117 -0.002 0.000 1.133 552 I CA 1.679 62.977 61.300 -0.004 0.000 1.413 552 I CB -0.203 37.795 38.000 -0.003 0.000 1.073 552 I HN 0.367 nan 8.210 nan 0.000 0.424 553 D N -0.113 120.289 120.400 0.004 0.000 2.338 553 D HA -0.087 4.553 4.640 -0.000 0.000 0.208 553 D C 0.496 176.797 176.300 0.002 0.000 0.997 553 D CA 0.367 54.369 54.000 0.004 0.000 0.880 553 D CB 0.410 41.216 40.800 0.009 0.000 0.980 553 D HN 0.121 nan 8.370 nan 0.000 0.509 554 D N 1.248 121.651 120.400 0.005 0.000 2.274 554 D HA 0.063 4.703 4.640 -0.000 0.000 0.239 554 D C -0.468 175.826 176.300 -0.009 0.000 1.104 554 D CA -0.249 53.751 54.000 0.001 0.000 0.840 554 D CB 1.407 42.215 40.800 0.015 0.000 1.100 554 D HN 0.164 nan 8.370 nan 0.000 0.477 555 D N 1.653 122.040 120.400 -0.021 0.000 2.593 555 D HA 0.180 4.820 4.640 -0.000 0.000 0.241 555 D C 0.132 176.410 176.300 -0.038 0.000 1.257 555 D CA -0.535 53.449 54.000 -0.027 0.000 0.828 555 D CB 0.017 40.801 40.800 -0.028 0.000 1.049 555 D HN 0.201 nan 8.370 nan 0.000 0.490 556 A N 0.231 123.027 122.820 -0.040 0.000 2.440 556 A HA 0.586 4.906 4.320 -0.000 0.000 0.251 556 A C 0.974 178.534 177.584 -0.040 0.000 1.089 556 A CA 0.091 52.094 52.037 -0.057 0.000 0.779 556 A CB 0.381 19.348 19.000 -0.055 0.000 1.022 556 A HN 0.321 nan 8.150 nan 0.000 0.492 557 G N 1.145 109.917 108.800 -0.047 0.000 2.532 557 G HA2 0.556 4.516 3.960 -0.000 0.000 0.291 557 G HA3 0.556 4.516 3.960 -0.000 0.000 0.291 557 G C -2.774 172.113 174.900 -0.022 0.000 1.349 557 G CA -1.599 43.482 45.100 -0.031 0.000 1.038 557 G HN 0.541 nan 8.290 nan 0.000 0.518 558 P HA 0.156 nan 4.420 nan 0.000 0.261 558 P C -0.531 176.768 177.300 -0.000 0.000 1.183 558 P CA 0.508 63.606 63.100 -0.003 0.000 0.761 558 P CB 0.478 32.177 31.700 -0.001 0.000 0.785 559 D N 0.063 120.469 120.400 0.010 0.000 3.046 559 D HA -0.176 4.464 4.640 -0.000 0.000 0.210 559 D C -0.327 175.987 176.300 0.024 0.000 1.124 559 D CA 1.269 55.281 54.000 0.021 0.000 0.986 559 D CB -1.211 39.602 40.800 0.021 0.000 1.118 559 D HN 0.573 nan 8.370 nan 0.000 0.416 560 E N 0.208 120.403 120.200 -0.009 0.000 2.227 560 E HA 0.322 4.672 4.350 -0.000 0.000 0.282 560 E C 0.529 177.099 176.600 -0.049 0.000 1.015 560 E CA -0.837 55.525 56.400 -0.064 0.000 0.823 560 E CB 0.708 30.325 29.700 -0.138 0.000 1.081 560 E HN 0.331 nan 8.360 nan 0.000 0.396 561 Y N 1.234 121.537 120.300 0.006 0.000 2.335 561 Y HA 0.374 4.924 4.550 -0.000 0.000 0.348 561 Y C 0.264 176.168 175.900 0.007 0.000 1.280 561 Y CA -0.653 57.450 58.100 0.005 0.000 1.504 561 Y CB 0.593 39.054 38.460 0.002 0.000 1.366 561 Y HN 0.450 nan 8.280 nan 0.000 0.621 562 S N -1.073 114.766 115.700 0.231 0.000 2.615 562 S HA 0.376 4.846 4.470 -0.000 0.000 0.268 562 S C -2.807 171.884 174.600 0.152 0.000 1.146 562 S CA -1.243 57.030 58.200 0.122 0.000 0.818 562 S CB 1.500 64.715 63.200 0.025 0.000 1.111 562 S HN 0.346 nan 8.310 nan 0.000 0.465 563 P HA 0.042 nan 4.420 nan 0.000 0.223 563 P C 0.535 177.863 177.300 0.047 0.000 1.144 563 P CA 0.959 64.102 63.100 0.071 0.000 0.783 563 P CB -0.099 31.631 31.700 0.050 0.000 0.771 564 N N -1.806 116.924 118.700 0.049 0.000 2.280 564 N HA 0.019 4.759 4.740 -0.000 0.000 0.192 564 N C 1.310 176.847 175.510 0.044 0.000 1.109 564 N CA 0.640 53.713 53.050 0.039 0.000 0.855 564 N CB 0.171 38.687 38.487 0.048 0.000 0.974 564 N HN 0.238 nan 8.380 nan 0.000 0.482 565 S N -0.181 115.555 115.700 0.059 0.000 2.545 565 S HA -0.022 4.448 4.470 -0.000 0.000 0.232 565 S C 2.071 176.697 174.600 0.044 0.000 1.070 565 S CA 0.341 58.577 58.200 0.060 0.000 0.923 565 S CB -0.690 62.559 63.200 0.081 0.000 0.806 565 S HN 0.018 nan 8.310 nan 0.000 0.506 566 V N 0.599 120.543 119.914 0.049 0.000 2.568 566 V HA 0.022 4.142 4.120 -0.000 0.000 0.253 566 V C -0.633 175.458 176.094 -0.005 0.000 1.072 566 V CA 1.428 63.740 62.300 0.020 0.000 1.084 566 V CB -2.525 29.306 31.823 0.013 0.000 0.676 566 V HN 0.295 nan 8.190 nan 0.000 0.469 567 P HA -0.092 nan 4.420 nan 0.000 0.216 567 P C 1.883 179.163 177.300 -0.032 0.000 1.150 567 P CA 1.688 64.769 63.100 -0.033 0.000 0.837 567 P CB -0.094 31.574 31.700 -0.053 0.000 0.786 568 I N -1.044 119.513 120.570 -0.022 0.000 2.286 568 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 568 I C 2.674 178.784 176.117 -0.013 0.000 1.104 568 I CA 1.237 62.529 61.300 -0.014 0.000 1.397 568 I CB -0.626 37.375 38.000 0.001 0.000 1.072 568 I HN -0.012 nan 8.210 nan 0.000 0.417 569 Q N 1.093 120.887 119.800 -0.011 0.000 2.112 569 Q HA -0.211 4.129 4.340 -0.000 0.000 0.206 569 Q C 2.215 178.198 176.000 -0.028 0.000 0.987 569 Q CA 2.080 57.871 55.803 -0.020 0.000 0.858 569 Q CB -0.294 28.433 28.738 -0.020 0.000 0.905 569 Q HN 0.591 nan 8.270 nan 0.000 0.420 570 G N 0.307 109.092 108.800 -0.026 0.000 2.421 570 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.216 570 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.216 570 G C 1.331 176.218 174.900 -0.021 0.000 1.171 570 G CA 0.677 45.762 45.100 -0.025 0.000 0.775 570 G HN 0.297 nan 8.290 nan 0.000 0.543 571 Q N 0.225 120.013 119.800 -0.020 0.000 2.084 571 Q HA 0.025 4.365 4.340 -0.000 0.000 0.202 571 Q C 2.811 178.803 176.000 -0.013 0.000 0.978 571 Q CA 0.774 56.569 55.803 -0.013 0.000 0.844 571 Q CB -0.599 28.133 28.738 -0.011 0.000 0.898 571 Q HN 0.510 nan 8.270 nan 0.000 0.426 572 L N 0.130 121.342 121.223 -0.019 0.000 2.046 572 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 572 L C 2.486 179.331 176.870 -0.043 0.000 1.077 572 L CA 1.098 55.921 54.840 -0.028 0.000 0.747 572 L CB -0.761 41.277 42.059 -0.035 0.000 0.896 572 L HN 0.135 nan 8.230 nan 0.000 0.432 573 A N 0.346 123.139 122.820 -0.045 0.000 1.883 573 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 573 A C 2.155 179.730 177.584 -0.014 0.000 1.186 573 A CA 1.682 53.690 52.037 -0.048 0.000 0.624 573 A CB -0.506 18.473 19.000 -0.035 0.000 0.822 573 A HN 0.297 nan 8.150 nan 0.000 0.444 574 I N -0.548 120.020 120.570 -0.003 0.000 2.333 574 I HA -0.111 4.059 4.170 -0.000 0.000 0.246 574 I C 2.710 178.836 176.117 0.016 0.000 1.106 574 I CA 1.659 62.967 61.300 0.013 0.000 1.411 574 I CB -1.394 36.611 38.000 0.008 0.000 1.082 574 I HN 0.420 nan 8.210 nan 0.000 0.420 575 S N 1.369 117.073 115.700 0.006 0.000 2.374 575 S HA -0.267 4.203 4.470 -0.000 0.000 0.227 575 S C 1.930 176.539 174.600 0.015 0.000 1.037 575 S CA 2.103 60.310 58.200 0.010 0.000 1.024 575 S CB -0.278 62.925 63.200 0.004 0.000 0.861 575 S HN 0.682 nan 8.310 nan 0.000 0.456 576 Q N -0.124 119.679 119.800 0.006 0.000 2.488 576 Q HA 0.100 4.440 4.340 -0.000 0.000 0.211 576 Q C 1.800 177.836 176.000 0.060 0.000 0.967 576 Q CA 0.903 56.716 55.803 0.016 0.000 0.926 576 Q CB -0.242 28.478 28.738 -0.031 0.000 0.992 576 Q HN 0.536 nan 8.270 nan 0.000 0.506 577 L N 0.034 121.294 121.223 0.062 0.000 2.357 577 L HA 0.162 4.502 4.340 -0.000 0.000 0.211 577 L C 0.850 177.751 176.870 0.052 0.000 1.075 577 L CA -0.205 54.682 54.840 0.079 0.000 0.830 577 L CB -0.051 42.058 42.059 0.083 0.000 0.996 577 L HN 0.166 nan 8.230 nan 0.000 0.467 578 E N 1.733 121.957 120.200 0.040 0.000 2.534 578 E HA -0.033 4.317 4.350 -0.000 0.000 0.264 578 E C -0.201 176.421 176.600 0.037 0.000 0.981 578 E CA 0.456 56.877 56.400 0.034 0.000 0.948 578 E CB 0.559 30.277 29.700 0.030 0.000 0.934 578 E HN 0.059 nan 8.360 nan 0.000 0.459 579 T N 2.492 117.067 114.554 0.035 0.000 2.737 579 T HA 0.399 4.749 4.350 -0.000 0.000 0.296 579 T C 0.529 175.260 174.700 0.051 0.000 0.922 579 T CA -0.170 61.953 62.100 0.038 0.000 1.079 579 T CB 1.136 70.025 68.868 0.035 0.000 0.892 579 T HN 0.555 nan 8.240 nan 0.000 0.514 580 G N 1.561 110.397 108.800 0.060 0.000 3.356 580 G HA2 0.583 4.543 3.960 -0.000 0.000 0.178 580 G HA3 0.583 4.543 3.960 -0.000 0.000 0.178 580 G C -1.655 173.337 174.900 0.155 0.000 1.130 580 G CA -0.459 44.698 45.100 0.094 0.000 0.800 580 G HN 0.556 nan 8.290 nan 0.000 0.669 581 Y N -0.424 119.884 120.300 0.012 0.000 2.534 581 Y HA 0.538 5.088 4.550 -0.000 0.000 0.345 581 Y C 0.310 176.217 175.900 0.011 0.000 1.031 581 Y CA 0.375 58.482 58.100 0.011 0.000 1.022 581 Y CB 1.926 40.391 38.460 0.008 0.000 1.292 581 Y HN 1.651 nan 8.280 nan 0.000 0.459 582 G N 1.117 109.617 108.800 -0.500 0.000 2.592 582 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.684 582 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.684 582 G C -1.889 172.908 174.900 -0.172 0.000 1.291 582 G CA -0.729 44.228 45.100 -0.237 0.000 0.891 582 G HN 0.879 nan 8.290 nan 0.000 0.544 583 V N 1.777 121.633 119.914 -0.097 0.000 2.421 583 V HA 0.310 4.430 4.120 -0.000 0.000 0.271 583 V C 1.441 177.517 176.094 -0.030 0.000 1.031 583 V CA 0.434 62.696 62.300 -0.063 0.000 1.032 583 V CB 0.757 32.557 31.823 -0.038 0.000 1.009 583 V HN 0.825 nan 8.190 nan 0.000 0.477 584 R N 5.056 125.542 120.500 -0.023 0.000 2.594 584 R HA 0.561 4.901 4.340 -0.000 0.000 0.272 584 R C -0.785 175.534 176.300 0.031 0.000 1.074 584 R CA -0.229 55.877 56.100 0.009 0.000 1.105 584 R CB 0.564 30.873 30.300 0.015 0.000 1.008 584 R HN 0.671 nan 8.270 nan 0.000 0.472 585 I N 3.005 123.604 120.570 0.048 0.000 2.769 585 I HA 0.320 4.490 4.170 -0.000 0.000 0.298 585 I C -1.294 174.888 176.117 0.107 0.000 1.128 585 I CA -0.947 60.392 61.300 0.064 0.000 1.031 585 I CB 2.189 40.204 38.000 0.024 0.000 1.235 585 I HN 0.536 nan 8.210 nan 0.000 0.423 586 F N 5.327 125.274 119.950 -0.005 0.000 2.477 586 F HA 0.502 5.029 4.527 -0.000 0.000 0.335 586 F C -0.643 175.156 175.800 -0.001 0.000 1.130 586 F CA -0.443 57.555 58.000 -0.003 0.000 0.948 586 F CB 0.941 39.938 39.000 -0.005 0.000 1.154 586 F HN 0.323 nan 8.300 nan 0.000 0.439 587 N N 7.135 125.380 118.700 -0.758 0.000 2.362 587 N HA 0.419 5.159 4.740 -0.000 0.000 0.298 587 N C -2.749 172.338 175.510 -0.705 0.000 1.048 587 N CA -1.571 51.184 53.050 -0.492 0.000 0.858 587 N CB 2.049 40.367 38.487 -0.281 0.000 1.218 587 N HN 0.286 nan 8.380 nan 0.000 0.488 588 P HA 0.062 nan 4.420 nan 0.000 0.270 588 P C 0.799 178.019 177.300 -0.133 0.000 1.223 588 P CA -0.194 62.843 63.100 -0.105 0.000 0.785 588 P CB 0.962 32.679 31.700 0.029 0.000 0.923 589 K N 0.690 121.051 120.400 -0.064 0.000 2.074 589 K HA -0.187 4.133 4.320 -0.000 0.000 0.209 589 K C 2.032 178.599 176.600 -0.055 0.000 1.048 589 K CA 2.143 58.391 56.287 -0.065 0.000 0.926 589 K CB -1.625 30.852 32.500 -0.038 0.000 0.713 589 K HN 0.469 nan 8.250 nan 0.000 0.444 590 G N 1.474 110.255 108.800 -0.031 0.000 2.469 590 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.220 590 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.220 590 G C 1.512 176.405 174.900 -0.012 0.000 1.136 590 G CA 1.254 46.347 45.100 -0.012 0.000 0.759 590 G HN 0.345 nan 8.290 nan 0.000 0.562 591 I N -0.030 120.520 120.570 -0.033 0.000 2.480 591 I HA 0.055 4.225 4.170 -0.000 0.000 0.251 591 I C 2.531 178.624 176.117 -0.041 0.000 1.124 591 I CA 0.197 61.477 61.300 -0.033 0.000 1.444 591 I CB -0.082 37.890 38.000 -0.046 0.000 1.098 591 I HN 0.099 nan 8.210 nan 0.000 0.428 592 L N -0.110 121.071 121.223 -0.070 0.000 2.131 592 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 592 L C 2.711 179.564 176.870 -0.029 0.000 1.092 592 L CA 1.160 55.960 54.840 -0.066 0.000 0.759 592 L CB -0.560 41.440 42.059 -0.098 0.000 0.903 592 L HN 0.253 nan 8.230 nan 0.000 0.435 593 S N 0.025 115.713 115.700 -0.018 0.000 2.368 593 S HA -0.194 4.276 4.470 -0.000 0.000 0.225 593 S C 1.986 176.613 174.600 0.045 0.000 1.030 593 S CA 1.402 59.612 58.200 0.017 0.000 0.999 593 S CB 0.062 63.276 63.200 0.023 0.000 0.844 593 S HN 0.357 nan 8.310 nan 0.000 0.459 594 K N 0.502 120.922 120.400 0.033 0.000 2.001 594 K HA 0.066 4.386 4.320 -0.000 0.000 0.208 594 K C 2.080 178.696 176.600 0.028 0.000 1.048 594 K CA 1.562 57.871 56.287 0.036 0.000 0.932 594 K CB -0.394 32.122 32.500 0.026 0.000 0.715 594 K HN 0.385 nan 8.250 nan 0.000 0.437 595 I N 1.414 121.992 120.570 0.014 0.000 2.194 595 I HA -0.339 3.831 4.170 -0.000 0.000 0.246 595 I C 2.525 178.656 176.117 0.023 0.000 1.093 595 I CA 1.285 62.593 61.300 0.012 0.000 1.355 595 I CB -0.441 37.558 38.000 -0.003 0.000 1.046 595 I HN 0.203 nan 8.210 nan 0.000 0.413 596 A N -0.136 122.697 122.820 0.023 0.000 1.898 596 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 596 A C 2.491 180.105 177.584 0.049 0.000 1.181 596 A CA 2.084 54.140 52.037 0.032 0.000 0.620 596 A CB -0.720 18.296 19.000 0.027 0.000 0.819 596 A HN 0.368 nan 8.150 nan 0.000 0.442 597 S N -0.348 115.385 115.700 0.054 0.000 2.359 597 S HA -0.194 4.276 4.470 -0.000 0.000 0.224 597 S C 2.094 176.728 174.600 0.056 0.000 1.035 597 S CA 1.664 59.899 58.200 0.059 0.000 1.018 597 S CB -0.326 62.907 63.200 0.055 0.000 0.876 597 S HN 0.635 nan 8.310 nan 0.000 0.448 598 R N 1.149 121.677 120.500 0.048 0.000 2.096 598 R HA 0.017 4.357 4.340 -0.000 0.000 0.235 598 R C 2.558 178.897 176.300 0.064 0.000 1.127 598 R CA 1.175 57.303 56.100 0.047 0.000 0.968 598 R CB -0.491 29.830 30.300 0.036 0.000 0.861 598 R HN 0.395 nan 8.270 nan 0.000 0.440 599 A N 1.477 124.337 122.820 0.067 0.000 1.877 599 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 599 A C 2.179 179.845 177.584 0.137 0.000 1.186 599 A CA 1.487 53.576 52.037 0.086 0.000 0.620 599 A CB -0.514 18.526 19.000 0.066 0.000 0.822 599 A HN 0.316 nan 8.150 nan 0.000 0.443 600 M N -1.156 118.522 119.600 0.131 0.000 2.117 600 M HA -0.210 4.270 4.480 -0.000 0.000 0.262 600 M C 2.165 178.588 176.300 0.206 0.000 1.065 600 M CA 1.716 57.131 55.300 0.192 0.000 1.114 600 M CB -0.243 32.440 32.600 0.138 0.000 1.361 600 M HN 0.355 nan 8.290 nan 0.000 0.408 601 Q N 0.162 120.035 119.800 0.122 0.000 2.084 601 Q HA -0.088 4.252 4.340 -0.000 0.000 0.202 601 Q C 2.166 178.211 176.000 0.074 0.000 0.978 601 Q CA 1.916 57.767 55.803 0.079 0.000 0.844 601 Q CB -0.724 28.043 28.738 0.048 0.000 0.898 601 Q HN 0.700 nan 8.270 nan 0.000 0.426 602 A N 0.292 123.169 122.820 0.095 0.000 1.933 602 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 602 A C 1.925 179.576 177.584 0.112 0.000 1.175 602 A CA 1.285 53.371 52.037 0.082 0.000 0.628 602 A CB -0.752 18.299 19.000 0.086 0.000 0.814 602 A HN 0.367 nan 8.150 nan 0.000 0.444 603 F N 0.781 120.749 119.950 0.031 0.000 2.113 603 F HA -0.107 4.420 4.527 -0.000 0.000 0.297 603 F C 1.890 177.709 175.800 0.032 0.000 1.103 603 F CA 1.537 59.560 58.000 0.039 0.000 1.248 603 F CB -0.358 38.694 39.000 0.086 0.000 0.999 603 F HN 0.173 nan 8.300 nan 0.000 0.475 604 I N 0.167 120.620 120.570 -0.196 0.000 2.361 604 I HA -0.191 3.979 4.170 -0.000 0.000 0.251 604 I C 2.588 178.574 176.117 -0.218 0.000 1.133 604 I CA 1.393 62.518 61.300 -0.292 0.000 1.413 604 I CB -1.172 36.782 38.000 -0.077 0.000 1.073 604 I HN 0.331 nan 8.210 nan 0.000 0.424 605 G N -0.788 107.940 108.800 -0.120 0.000 2.551 605 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.216 605 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.216 605 G C 0.402 175.243 174.900 -0.098 0.000 1.137 605 G CA 0.371 45.418 45.100 -0.088 0.000 0.798 605 G HN 0.294 nan 8.290 nan 0.000 0.536 606 D N -0.929 119.401 120.400 -0.116 0.000 2.527 606 D HA 0.226 4.866 4.640 -0.000 0.000 0.242 606 D C -2.213 174.017 176.300 -0.116 0.000 1.285 606 D CA -1.301 52.642 54.000 -0.094 0.000 0.886 606 D CB 1.473 42.250 40.800 -0.038 0.000 1.402 606 D HN -0.102 nan 8.370 nan 0.000 0.528 607 P HA -0.131 nan 4.420 nan 0.000 0.220 607 P C 1.357 178.647 177.300 -0.017 0.000 1.144 607 P CA 0.994 63.958 63.100 -0.227 0.000 0.800 607 P CB 0.205 31.731 31.700 -0.290 0.000 0.772 608 S N -1.777 113.895 115.700 -0.047 0.000 2.603 608 S HA -0.090 4.380 4.470 -0.000 0.000 0.229 608 S C 1.715 176.302 174.600 -0.022 0.000 0.972 608 S CA 1.256 59.427 58.200 -0.047 0.000 0.935 608 S CB -1.689 61.478 63.200 -0.055 0.000 0.769 608 S HN 0.279 nan 8.310 nan 0.000 0.536 609 T N 1.476 116.044 114.554 0.024 0.000 2.915 609 T HA -0.008 4.342 4.350 -0.000 0.000 0.269 609 T C 1.858 176.566 174.700 0.013 0.000 1.071 609 T CA 0.909 63.032 62.100 0.038 0.000 1.132 609 T CB -1.012 67.903 68.868 0.078 0.000 0.878 609 T HN 0.751 nan 8.240 nan 0.000 0.479 610 I N 0.372 120.931 120.570 -0.019 0.000 2.493 610 I HA 0.070 4.240 4.170 -0.000 0.000 0.254 610 I C 1.996 178.012 176.117 -0.168 0.000 1.160 610 I CA 1.066 62.270 61.300 -0.160 0.000 1.445 610 I CB -0.683 37.041 38.000 -0.461 0.000 1.086 610 I HN 0.302 nan 8.210 nan 0.000 0.433 611 I N -0.797 119.693 120.570 -0.133 0.000 3.956 611 I HA 0.304 4.474 4.170 -0.000 0.000 0.333 611 I C 0.140 176.265 176.117 0.013 0.000 1.302 611 I CA -0.025 61.218 61.300 -0.095 0.000 1.122 611 I CB -0.544 37.333 38.000 -0.206 0.000 1.013 611 I HN -0.106 nan 8.210 nan 0.000 0.405 612 T N 2.400 116.961 114.554 0.011 0.000 2.806 612 T HA 0.189 4.539 4.350 -0.000 0.000 0.290 612 T C -0.123 174.607 174.700 0.049 0.000 0.966 612 T CA -0.197 61.933 62.100 0.049 0.000 1.060 612 T CB 1.010 69.897 68.868 0.031 0.000 0.927 612 T HN 0.406 nan 8.240 nan 0.000 0.485 613 Q N 2.099 121.937 119.800 0.063 0.000 2.349 613 Q HA 0.255 4.595 4.340 -0.000 0.000 0.287 613 Q C 0.959 176.979 176.000 0.032 0.000 1.044 613 Q CA 0.566 56.395 55.803 0.044 0.000 0.918 613 Q CB 0.086 28.846 28.738 0.037 0.000 1.242 613 Q HN 0.984 nan 8.270 nan 0.000 0.405 614 A N 1.753 124.589 122.820 0.027 0.000 2.910 614 A HA -0.272 4.048 4.320 -0.000 0.000 0.267 614 A C 0.499 178.098 177.584 0.025 0.000 1.310 614 A CA 1.046 53.097 52.037 0.024 0.000 0.934 614 A CB -2.236 16.776 19.000 0.020 0.000 1.057 614 A HN 1.182 nan 8.150 nan 0.000 0.742 615 A N -0.383 122.454 122.820 0.027 0.000 2.515 615 A HA 0.469 4.789 4.320 -0.000 0.000 0.263 615 A C -0.151 177.452 177.584 0.031 0.000 1.096 615 A CA -0.145 51.910 52.037 0.029 0.000 0.769 615 A CB -0.372 18.647 19.000 0.031 0.000 1.040 615 A HN 0.377 nan 8.150 nan 0.000 0.505 616 P HA -0.307 nan 4.420 nan 0.000 0.225 616 P C 1.319 178.636 177.300 0.030 0.000 0.810 616 P CA 2.357 65.474 63.100 0.028 0.000 1.060 616 P CB 0.084 31.802 31.700 0.030 0.000 0.728 617 V N -2.710 117.225 119.914 0.036 0.000 3.379 617 V HA 0.051 4.171 4.120 -0.000 0.000 0.249 617 V C 1.976 178.096 176.094 0.043 0.000 1.184 617 V CA 0.637 62.958 62.300 0.035 0.000 1.106 617 V CB -0.561 31.282 31.823 0.033 0.000 0.826 617 V HN 0.058 nan 8.190 nan 0.000 0.465 618 L N 0.108 121.360 121.223 0.048 0.000 2.610 618 L HA 0.026 4.366 4.340 -0.000 0.000 0.232 618 L C 2.301 179.188 176.870 0.027 0.000 1.149 618 L CA 1.003 55.870 54.840 0.046 0.000 0.872 618 L CB -0.433 41.655 42.059 0.049 0.000 0.992 618 L HN 0.304 nan 8.230 nan 0.000 0.447 619 S N -0.892 114.825 115.700 0.029 0.000 2.522 619 S HA -0.094 4.376 4.470 -0.000 0.000 0.227 619 S C 0.780 175.400 174.600 0.033 0.000 0.986 619 S CA 0.143 58.357 58.200 0.024 0.000 0.929 619 S CB -0.191 63.025 63.200 0.027 0.000 0.769 619 S HN 0.360 nan 8.310 nan 0.000 0.529 620 D N 1.479 121.906 120.400 0.046 0.000 2.317 620 D HA 0.141 4.781 4.640 -0.000 0.000 0.234 620 D C 1.102 177.454 176.300 0.087 0.000 1.112 620 D CA -0.333 53.699 54.000 0.054 0.000 0.840 620 D CB 1.473 42.300 40.800 0.045 0.000 1.078 620 D HN 0.417 nan 8.370 nan 0.000 0.486 621 K N 3.439 123.893 120.400 0.091 0.000 2.218 621 K HA -0.187 4.133 4.320 -0.000 0.000 0.205 621 K C 0.947 177.632 176.600 0.142 0.000 1.046 621 K CA 0.972 57.345 56.287 0.144 0.000 0.933 621 K CB 0.086 32.654 32.500 0.114 0.000 0.728 621 K HN 0.197 nan 8.250 nan 0.000 0.454 622 N N 1.291 120.039 118.700 0.081 0.000 2.142 622 N HA -0.094 4.646 4.740 -0.000 0.000 0.186 622 N C 1.321 176.850 175.510 0.030 0.000 1.023 622 N CA 1.238 54.314 53.050 0.043 0.000 0.852 622 N CB -0.386 38.116 38.487 0.026 0.000 0.998 622 N HN 0.376 nan 8.380 nan 0.000 0.424 623 N N 0.640 119.371 118.700 0.052 0.000 2.244 623 N HA -0.161 4.579 4.740 -0.000 0.000 0.183 623 N C 1.587 177.125 175.510 0.046 0.000 1.016 623 N CA 0.473 53.543 53.050 0.034 0.000 0.866 623 N CB -0.389 38.125 38.487 0.045 0.000 0.980 623 N HN 0.513 nan 8.380 nan 0.000 0.430 624 W N 2.225 123.473 121.300 -0.087 0.000 2.378 624 W HA -0.079 4.581 4.660 -0.000 0.000 0.313 624 W C 1.714 178.172 176.519 -0.101 0.000 1.197 624 W CA 0.722 57.991 57.345 -0.127 0.000 1.304 624 W CB -0.300 29.102 29.460 -0.097 0.000 1.148 624 W HN -0.077 nan 8.180 nan 0.000 0.494 625 I N 1.692 122.080 120.570 -0.303 0.000 2.208 625 I HA -0.328 3.842 4.170 -0.000 0.000 0.245 625 I C 2.783 178.696 176.117 -0.339 0.000 1.097 625 I CA 1.681 62.749 61.300 -0.387 0.000 1.363 625 I CB -1.116 36.803 38.000 -0.135 0.000 1.051 625 I HN 0.007 nan 8.210 nan 0.000 0.413 626 A N 0.718 123.409 122.820 -0.215 0.000 1.902 626 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 626 A C 2.258 179.715 177.584 -0.212 0.000 1.181 626 A CA 1.641 53.579 52.037 -0.165 0.000 0.623 626 A CB -0.725 18.218 19.000 -0.096 0.000 0.818 626 A HN 0.386 nan 8.150 nan 0.000 0.443 627 L N -0.381 120.673 121.223 -0.281 0.000 2.023 627 L HA 0.043 4.383 4.340 -0.000 0.000 0.205 627 L C 2.726 179.350 176.870 -0.410 0.000 1.073 627 L CA 2.195 56.858 54.840 -0.295 0.000 0.745 627 L CB -0.952 40.931 42.059 -0.293 0.000 0.900 627 L HN 0.330 nan 8.230 nan 0.000 0.435 628 A N -0.994 121.368 122.820 -0.763 0.000 1.892 628 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 628 A C 2.200 179.563 177.584 -0.368 0.000 1.188 628 A CA 2.021 53.616 52.037 -0.737 0.000 0.631 628 A CB -0.681 17.630 19.000 -1.148 0.000 0.822 628 A HN 0.638 nan 8.150 nan 0.000 0.447 629 Q N -0.942 118.667 119.800 -0.319 0.000 2.187 629 Q HA -0.053 4.287 4.340 -0.000 0.000 0.199 629 Q C 2.256 178.176 176.000 -0.133 0.000 0.957 629 Q CA 1.269 56.961 55.803 -0.185 0.000 0.857 629 Q CB -0.772 27.873 28.738 -0.156 0.000 0.929 629 Q HN 0.670 nan 8.270 nan 0.000 0.453 630 G N 0.510 109.225 108.800 -0.141 0.000 2.421 630 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.216 630 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.216 630 G C 1.608 176.468 174.900 -0.067 0.000 1.171 630 G CA 0.955 46.000 45.100 -0.091 0.000 0.775 630 G HN 0.249 nan 8.290 nan 0.000 0.543 631 V N 0.978 120.847 119.914 -0.076 0.000 2.370 631 V HA -0.303 3.817 4.120 -0.000 0.000 0.252 631 V C 2.831 178.907 176.094 -0.030 0.000 1.068 631 V CA 2.512 64.788 62.300 -0.040 0.000 1.061 631 V CB -0.492 31.311 31.823 -0.033 0.000 0.656 631 V HN 0.426 nan 8.190 nan 0.000 0.455 632 K N -0.392 119.983 120.400 -0.042 0.000 2.032 632 K HA -0.180 4.140 4.320 -0.000 0.000 0.209 632 K C 2.219 178.806 176.600 -0.022 0.000 1.048 632 K CA 2.034 58.303 56.287 -0.030 0.000 0.927 632 K CB -0.560 31.918 32.500 -0.037 0.000 0.712 632 K HN 0.490 nan 8.250 nan 0.000 0.441 633 T N 0.468 115.006 114.554 -0.027 0.000 2.737 633 T HA -0.156 4.194 4.350 -0.000 0.000 0.265 633 T C 2.040 176.733 174.700 -0.011 0.000 1.038 633 T CA 1.514 63.603 62.100 -0.019 0.000 1.144 633 T CB -0.316 68.538 68.868 -0.023 0.000 0.866 633 T HN 0.239 nan 8.240 nan 0.000 0.434 634 S N 0.727 116.421 115.700 -0.011 0.000 2.374 634 S HA -0.086 4.384 4.470 -0.000 0.000 0.227 634 S C 1.955 176.557 174.600 0.003 0.000 1.037 634 S CA 1.152 59.352 58.200 -0.001 0.000 1.024 634 S CB -0.463 62.738 63.200 0.002 0.000 0.861 634 S HN 0.425 nan 8.310 nan 0.000 0.456 635 L N 0.142 121.365 121.223 0.000 0.000 2.102 635 L HA 0.120 4.460 4.340 -0.000 0.000 0.202 635 L C 2.850 179.721 176.870 0.001 0.000 1.076 635 L CA 0.906 55.747 54.840 0.002 0.000 0.761 635 L CB -0.452 41.608 42.059 0.002 0.000 0.921 635 L HN 0.197 nan 8.230 nan 0.000 0.444 636 R N -0.134 120.365 120.500 -0.001 0.000 2.200 636 R HA -0.116 4.224 4.340 -0.000 0.000 0.234 636 R C 1.582 177.883 176.300 0.000 0.000 1.127 636 R CA 1.667 57.766 56.100 -0.001 0.000 0.989 636 R CB -0.374 29.923 30.300 -0.004 0.000 0.869 636 R HN 0.454 nan 8.270 nan 0.000 0.459 637 T N -2.013 112.541 114.554 0.001 0.000 3.244 637 T HA 0.215 4.565 4.350 -0.000 0.000 0.254 637 T C 0.235 174.938 174.700 0.005 0.000 1.024 637 T CA -0.388 61.713 62.100 0.003 0.000 0.920 637 T CB 0.136 69.005 68.868 0.002 0.000 1.042 637 T HN -0.040 nan 8.240 nan 0.000 0.572 638 K N 1.273 121.676 120.400 0.005 0.000 2.118 638 K HA 0.564 4.884 4.320 -0.000 0.000 0.264 638 K C -0.508 176.095 176.600 0.005 0.000 1.000 638 K CA -0.580 55.711 56.287 0.006 0.000 0.929 638 K CB 1.159 33.662 32.500 0.005 0.000 1.021 638 K HN 0.014 nan 8.250 nan 0.000 0.463 639 S N 2.909 118.613 115.700 0.006 0.000 2.542 639 S HA 0.144 4.614 4.470 -0.000 0.000 0.245 639 S C -0.348 174.254 174.600 0.005 0.000 1.325 639 S CA -0.660 57.544 58.200 0.005 0.000 1.176 639 S CB 0.297 63.501 63.200 0.006 0.000 1.045 639 S HN 0.507 nan 8.310 nan 0.000 0.481 640 L N 1.821 123.046 121.223 0.004 0.000 3.936 640 L HA -0.201 4.139 4.340 -0.000 0.000 0.453 640 L C 0.905 177.776 176.870 0.002 0.000 1.158 640 L CA 0.881 55.722 54.840 0.003 0.000 0.831 640 L CB -3.167 38.894 42.059 0.003 0.000 1.746 640 L HN 0.781 nan 8.230 nan 0.000 0.912 641 S N -1.821 113.881 115.700 0.003 0.000 2.690 641 S HA 0.935 5.405 4.470 -0.000 0.000 0.291 641 S C 0.073 174.673 174.600 0.000 0.000 1.138 641 S CA -0.137 58.065 58.200 0.002 0.000 1.013 641 S CB 3.106 66.308 63.200 0.004 0.000 1.053 641 S HN 0.818 nan 8.310 nan 0.000 0.539 642 A N 0.524 123.343 122.820 -0.001 0.000 2.520 642 A HA 0.798 5.118 4.320 -0.000 0.000 0.298 642 A C 0.261 177.841 177.584 -0.007 0.000 1.051 642 A CA -0.475 51.559 52.037 -0.005 0.000 0.690 642 A CB 0.799 19.796 19.000 -0.006 0.000 1.281 642 A HN 1.545 nan 8.150 nan 0.000 0.402 643 G N 0.343 109.137 108.800 -0.010 0.000 2.368 643 G HA2 0.338 4.298 3.960 -0.000 0.000 0.233 643 G HA3 0.338 4.298 3.960 -0.000 0.000 0.233 643 G C 0.984 175.874 174.900 -0.017 0.000 1.267 643 G CA 0.305 45.395 45.100 -0.016 0.000 0.873 643 G HN 1.101 nan 8.290 nan 0.000 0.539 644 V N 2.920 122.822 119.914 -0.020 0.000 2.255 644 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 644 V C 2.861 178.942 176.094 -0.020 0.000 1.051 644 V CA 2.394 64.683 62.300 -0.018 0.000 1.018 644 V CB -0.676 31.134 31.823 -0.021 0.000 0.641 644 V HN 0.887 nan 8.190 nan 0.000 0.445 645 K N -0.338 120.045 120.400 -0.028 0.000 2.063 645 K HA -0.220 4.100 4.320 -0.000 0.000 0.208 645 K C 2.207 178.794 176.600 -0.021 0.000 1.048 645 K CA 2.136 58.407 56.287 -0.027 0.000 0.928 645 K CB -0.321 32.158 32.500 -0.034 0.000 0.713 645 K HN 0.549 nan 8.250 nan 0.000 0.442 646 T N 0.704 115.245 114.554 -0.021 0.000 2.737 646 T HA -0.109 4.241 4.350 -0.000 0.000 0.265 646 T C 1.862 176.553 174.700 -0.015 0.000 1.038 646 T CA 1.288 63.377 62.100 -0.018 0.000 1.144 646 T CB -0.357 68.500 68.868 -0.017 0.000 0.866 646 T HN 0.419 nan 8.240 nan 0.000 0.434 647 A N 1.735 124.547 122.820 -0.013 0.000 1.903 647 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 647 A C 2.694 180.272 177.584 -0.009 0.000 1.191 647 A CA 2.386 54.417 52.037 -0.009 0.000 0.638 647 A CB -1.304 17.691 19.000 -0.007 0.000 0.823 647 A HN 0.518 nan 8.150 nan 0.000 0.451 648 V N -2.647 117.261 119.914 -0.009 0.000 2.307 648 V HA -0.152 3.968 4.120 -0.000 0.000 0.245 648 V C 2.309 178.397 176.094 -0.009 0.000 1.045 648 V CA 2.774 65.069 62.300 -0.008 0.000 1.024 648 V CB -1.197 30.621 31.823 -0.008 0.000 0.651 648 V HN 0.474 nan 8.190 nan 0.000 0.449 649 S N -0.268 115.425 115.700 -0.012 0.000 2.370 649 S HA -0.217 4.253 4.470 -0.000 0.000 0.226 649 S C 2.123 176.715 174.600 -0.014 0.000 1.033 649 S CA 1.804 59.995 58.200 -0.014 0.000 1.011 649 S CB -0.435 62.754 63.200 -0.017 0.000 0.852 649 S HN 0.665 nan 8.310 nan 0.000 0.457 650 K N 1.075 121.467 120.400 -0.013 0.000 2.002 650 K HA -0.003 4.317 4.320 -0.000 0.000 0.209 650 K C 2.151 178.746 176.600 -0.009 0.000 1.048 650 K CA 1.255 57.534 56.287 -0.013 0.000 0.930 650 K CB -0.969 31.524 32.500 -0.012 0.000 0.714 650 K HN 0.436 nan 8.250 nan 0.000 0.438 651 L N 0.708 121.928 121.223 -0.005 0.000 2.046 651 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 651 L C 2.715 179.585 176.870 0.001 0.000 1.077 651 L CA 1.165 56.004 54.840 -0.001 0.000 0.747 651 L CB -0.608 41.451 42.059 0.000 0.000 0.896 651 L HN 0.173 nan 8.230 nan 0.000 0.432 652 S N -0.516 115.183 115.700 -0.001 0.000 2.368 652 S HA -0.180 4.290 4.470 -0.000 0.000 0.225 652 S C 2.185 176.786 174.600 0.001 0.000 1.030 652 S CA 1.879 60.079 58.200 0.001 0.000 0.999 652 S CB -0.077 63.121 63.200 -0.002 0.000 0.844 652 S HN 0.420 nan 8.310 nan 0.000 0.459 653 S N 0.874 116.571 115.700 -0.006 0.000 2.371 653 S HA 0.010 4.480 4.470 -0.000 0.000 0.224 653 S C 2.170 176.767 174.600 -0.006 0.000 1.029 653 S CA 1.125 59.318 58.200 -0.012 0.000 0.978 653 S CB -0.494 62.691 63.200 -0.024 0.000 0.833 653 S HN 0.571 nan 8.310 nan 0.000 0.466 654 S N 1.590 117.289 115.700 -0.002 0.000 2.370 654 S HA -0.146 4.324 4.470 -0.000 0.000 0.226 654 S C 1.859 176.474 174.600 0.025 0.000 1.033 654 S CA 1.119 59.324 58.200 0.007 0.000 1.011 654 S CB -0.300 62.904 63.200 0.007 0.000 0.852 654 S HN 0.544 nan 8.310 nan 0.000 0.457 655 E N 1.054 121.268 120.200 0.023 0.000 2.051 655 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 655 E C 2.446 179.076 176.600 0.051 0.000 0.991 655 E CA 1.456 57.876 56.400 0.034 0.000 0.799 655 E CB -0.226 29.489 29.700 0.025 0.000 0.748 655 E HN 0.637 nan 8.360 nan 0.000 0.449 656 S N 0.764 116.490 115.700 0.045 0.000 2.399 656 S HA -0.134 4.336 4.470 -0.000 0.000 0.231 656 S C 2.018 176.683 174.600 0.109 0.000 1.022 656 S CA 0.776 59.014 58.200 0.064 0.000 0.983 656 S CB -0.409 62.812 63.200 0.035 0.000 0.803 656 S HN 0.183 nan 8.310 nan 0.000 0.480 657 I N 1.392 122.012 120.570 0.083 0.000 2.406 657 I HA -0.124 4.046 4.170 -0.000 0.000 0.249 657 I C 3.086 179.344 176.117 0.234 0.000 1.122 657 I CA 1.289 62.665 61.300 0.126 0.000 1.431 657 I CB -0.448 37.568 38.000 0.027 0.000 1.087 657 I HN 0.411 nan 8.210 nan 0.000 0.424 658 Q N 1.610 121.497 119.800 0.145 0.000 2.084 658 Q HA -0.273 4.067 4.340 -0.000 0.000 0.202 658 Q C 1.976 178.056 176.000 0.134 0.000 0.978 658 Q CA 1.886 57.765 55.803 0.127 0.000 0.844 658 Q CB -0.392 28.390 28.738 0.075 0.000 0.898 658 Q HN 0.535 nan 8.270 nan 0.000 0.426 659 N N -0.331 118.446 118.700 0.130 0.000 2.120 659 N HA -0.190 4.550 4.740 -0.000 0.000 0.188 659 N C 1.711 177.309 175.510 0.146 0.000 1.024 659 N CA 1.456 54.572 53.050 0.110 0.000 0.852 659 N CB -0.483 38.063 38.487 0.098 0.000 1.003 659 N HN 0.400 nan 8.380 nan 0.000 0.424 660 W N 2.015 123.334 121.300 0.031 0.000 2.358 660 W HA -0.096 4.564 4.660 -0.000 0.000 0.303 660 W C 2.167 178.733 176.519 0.078 0.000 1.208 660 W CA 2.099 59.470 57.345 0.043 0.000 1.274 660 W CB -0.670 28.800 29.460 0.017 0.000 1.138 660 W HN -0.064 nan 8.180 nan 0.000 0.515 661 T N 0.598 115.264 114.554 0.187 0.000 2.684 661 T HA -0.341 4.009 4.350 -0.000 0.000 0.267 661 T C 1.527 176.181 174.700 -0.077 0.000 1.036 661 T CA 1.962 64.060 62.100 -0.004 0.000 1.148 661 T CB -0.551 68.424 68.868 0.179 0.000 0.863 661 T HN 0.186 nan 8.240 nan 0.000 0.436 662 Q N 1.173 120.959 119.800 -0.024 0.000 2.020 662 Q HA 0.007 4.347 4.340 -0.000 0.000 0.202 662 Q C 2.520 178.467 176.000 -0.088 0.000 0.982 662 Q CA 2.135 57.913 55.803 -0.041 0.000 0.838 662 Q CB -1.171 27.559 28.738 -0.013 0.000 0.899 662 Q HN 0.500 nan 8.270 nan 0.000 0.423 663 G N -0.372 108.368 108.800 -0.099 0.000 2.475 663 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.220 663 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.220 663 G C 1.285 176.097 174.900 -0.148 0.000 1.125 663 G CA 0.942 45.975 45.100 -0.111 0.000 0.755 663 G HN 0.456 nan 8.290 nan 0.000 0.565 664 F N 0.978 120.677 119.950 -0.419 0.000 2.149 664 F HA 0.190 4.717 4.527 -0.000 0.000 0.294 664 F C 2.421 178.088 175.800 -0.221 0.000 1.095 664 F CA 0.735 58.491 58.000 -0.407 0.000 1.276 664 F CB -0.327 38.246 39.000 -0.713 0.000 1.023 664 F HN 0.030 nan 8.300 nan 0.000 0.480 665 L N 0.166 121.214 121.223 -0.292 0.000 2.127 665 L HA -0.239 4.101 4.340 -0.000 0.000 0.211 665 L C 2.050 178.760 176.870 -0.266 0.000 1.089 665 L CA 1.327 55.985 54.840 -0.302 0.000 0.757 665 L CB -0.808 41.174 42.059 -0.128 0.000 0.899 665 L HN 0.145 nan 8.230 nan 0.000 0.434 666 D N 0.271 120.547 120.400 -0.206 0.000 2.097 666 D HA -0.154 4.486 4.640 -0.000 0.000 0.197 666 D C 2.163 178.350 176.300 -0.188 0.000 0.984 666 D CA 1.144 55.048 54.000 -0.159 0.000 0.826 666 D CB -0.051 40.679 40.800 -0.116 0.000 0.973 666 D HN 0.281 nan 8.370 nan 0.000 0.460 667 K N 0.496 120.767 120.400 -0.215 0.000 2.103 667 K HA -0.092 4.228 4.320 -0.000 0.000 0.207 667 K C 2.186 178.709 176.600 -0.128 0.000 1.048 667 K CA 0.611 56.802 56.287 -0.159 0.000 0.930 667 K CB -0.085 32.367 32.500 -0.080 0.000 0.716 667 K HN 0.006 nan 8.250 nan 0.000 0.444 668 V N 0.812 120.562 119.914 -0.274 0.000 2.261 668 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 668 V C 2.429 178.540 176.094 0.029 0.000 1.047 668 V CA 2.102 64.323 62.300 -0.132 0.000 1.015 668 V CB -0.529 31.084 31.823 -0.350 0.000 0.642 668 V HN 0.386 nan 8.190 nan 0.000 0.446 669 S N -0.526 115.127 115.700 -0.079 0.000 2.387 669 S HA -0.254 4.216 4.470 -0.000 0.000 0.230 669 S C 2.035 176.596 174.600 -0.066 0.000 1.035 669 S CA 2.468 60.639 58.200 -0.047 0.000 1.014 669 S CB -0.442 62.711 63.200 -0.079 0.000 0.836 669 S HN 0.703 nan 8.310 nan 0.000 0.466 670 T N 0.678 115.132 114.554 -0.168 0.000 2.821 670 T HA -0.027 4.323 4.350 -0.000 0.000 0.267 670 T C 1.345 175.810 174.700 -0.390 0.000 1.046 670 T CA 1.224 63.140 62.100 -0.306 0.000 1.139 670 T CB -0.346 68.246 68.868 -0.460 0.000 0.871 670 T HN 0.551 nan 8.240 nan 0.000 0.454 671 H N -1.025 118.000 119.070 -0.077 0.000 2.553 671 H HA 0.257 4.813 4.556 -0.000 0.000 0.265 671 H C -0.415 174.533 175.328 -0.633 0.000 0.964 671 H CA 0.194 56.067 56.048 -0.292 0.000 1.156 671 H CB 0.225 29.813 29.762 -0.290 0.000 1.411 671 H HN 0.352 nan 8.280 nan 0.000 0.558 672 F N 0.675 120.628 119.950 0.006 0.000 2.708 672 F HA 0.315 4.842 4.527 -0.000 0.000 0.344 672 F C -2.543 173.239 175.800 -0.030 0.000 1.447 672 F CA -2.365 55.633 58.000 -0.003 0.000 1.140 672 F CB 1.081 40.078 39.000 -0.004 0.000 1.657 672 F HN -0.168 nan 8.300 nan 0.000 0.598 673 P HA 0.098 nan 4.420 nan 0.000 0.265 673 P C -0.008 177.315 177.300 0.037 0.000 1.187 673 P CA 0.160 63.269 63.100 0.016 0.000 0.766 673 P CB 0.782 32.469 31.700 -0.022 0.000 0.820 674 A N 4.788 127.621 122.820 0.022 0.000 2.351 674 A HA 0.517 4.837 4.320 -0.000 0.000 0.257 674 A C -1.773 175.821 177.584 0.017 0.000 1.087 674 A CA -0.865 51.187 52.037 0.025 0.000 0.798 674 A CB -1.282 17.725 19.000 0.013 0.000 1.033 674 A HN 0.442 nan 8.150 nan 0.000 0.488 675 P HA 0.000 nan 4.420 nan 0.000 0.216 675 P CA 0.000 63.109 63.100 0.016 0.000 0.800 675 P CB 0.000 31.713 31.700 0.021 0.000 0.726