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_B 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 0.000 177.322 177.300 0.037 0.000 1.155 43 P CA 0.000 63.120 63.100 0.034 0.000 0.800 43 P CB 0.000 31.712 31.700 0.021 0.000 0.726 44 G N -1.232 107.589 108.800 0.036 0.000 2.596 44 G HA2 0.748 4.708 3.960 -0.000 0.000 0.296 44 G HA3 0.748 4.708 3.960 -0.000 0.000 0.296 44 G C -0.436 174.495 174.900 0.052 0.000 1.513 44 G CA 0.750 45.873 45.100 0.039 0.000 0.851 44 G HN 1.321 nan 8.290 nan 0.000 0.548 45 G N -1.330 107.499 108.800 0.048 0.000 2.348 45 G HA2 0.387 4.347 3.960 -0.000 0.000 0.199 45 G HA3 0.387 4.347 3.960 -0.000 0.000 0.199 45 G C -1.175 173.750 174.900 0.041 0.000 1.235 45 G CA 0.526 45.671 45.100 0.075 0.000 1.264 45 G HN 1.808 nan 8.290 nan 0.000 0.543 46 V N 1.960 121.913 119.914 0.065 0.000 3.007 46 V HA 0.683 4.803 4.120 -0.000 0.000 0.311 46 V C -2.408 173.584 176.094 -0.170 0.000 1.120 46 V CA -1.234 61.003 62.300 -0.106 0.000 0.980 46 V CB 2.662 34.348 31.823 -0.229 0.000 1.033 46 V HN 0.616 nan 8.190 nan 0.000 0.429 47 P HA 0.288 nan 4.420 nan 0.000 0.287 47 P C -1.599 175.505 177.300 -0.326 0.000 1.281 47 P CA -0.116 62.873 63.100 -0.184 0.000 0.781 47 P CB 0.324 31.931 31.700 -0.155 0.000 0.903 48 W N 4.052 125.390 121.300 0.063 0.000 2.587 48 W HA 0.615 5.275 4.660 -0.000 0.000 0.324 48 W C -0.219 176.408 176.519 0.180 0.000 1.040 48 W CA -0.458 56.941 57.345 0.091 0.000 1.222 48 W CB 1.401 30.907 29.460 0.076 0.000 1.381 48 W HN 0.202 nan 8.180 nan 0.000 0.483 49 I N 2.569 123.340 120.570 0.335 0.000 2.603 49 I HA 0.665 4.835 4.170 -0.000 0.000 0.300 49 I C 0.141 176.396 176.117 0.230 0.000 1.017 49 I CA -1.076 60.401 61.300 0.295 0.000 1.098 49 I CB 1.489 39.589 38.000 0.167 0.000 1.279 49 I HN 0.554 nan 8.210 nan 0.000 0.437 50 A N 7.060 130.021 122.820 0.235 0.000 2.505 50 A HA 0.056 4.376 4.320 -0.000 0.000 0.271 50 A C 1.295 178.933 177.584 0.090 0.000 1.112 50 A CA 0.199 52.307 52.037 0.119 0.000 0.781 50 A CB -0.190 18.903 19.000 0.154 0.000 1.059 50 A HN 0.952 nan 8.150 nan 0.000 0.508 51 I N 2.150 122.757 120.570 0.061 0.000 2.182 51 I HA -0.326 3.844 4.170 -0.000 0.000 0.248 51 I C 1.562 177.706 176.117 0.046 0.000 1.073 51 I CA 2.628 63.960 61.300 0.054 0.000 1.335 51 I CB 0.145 38.167 38.000 0.037 0.000 1.031 51 I HN 0.682 nan 8.210 nan 0.000 0.420 52 G N -1.692 107.132 108.800 0.040 0.000 2.293 52 G HA2 0.049 4.009 3.960 -0.000 0.000 0.180 52 G HA3 0.049 4.009 3.960 -0.000 0.000 0.180 52 G C -0.569 174.352 174.900 0.036 0.000 1.517 52 G CA -0.132 44.989 45.100 0.035 0.000 0.645 52 G HN 0.263 nan 8.290 nan 0.000 1.119 53 D N 2.671 123.091 120.400 0.033 0.000 2.412 53 D HA 0.400 5.040 4.640 -0.000 0.000 0.224 53 D C -0.256 176.072 176.300 0.047 0.000 1.093 53 D CA -0.267 53.752 54.000 0.032 0.000 0.850 53 D CB 1.336 42.147 40.800 0.018 0.000 1.046 53 D HN 0.049 nan 8.370 nan 0.000 0.507 54 E N 1.569 121.799 120.200 0.050 0.000 2.585 54 E HA -0.001 4.349 4.350 -0.000 0.000 0.252 54 E C 0.841 177.468 176.600 0.045 0.000 0.981 54 E CA 0.467 56.903 56.400 0.060 0.000 0.943 54 E CB 0.314 30.039 29.700 0.041 0.000 0.923 54 E HN 0.508 nan 8.360 nan 0.000 0.486 55 T N 0.674 115.269 114.554 0.068 0.000 11.175 55 T HA -0.296 4.054 4.350 -0.000 0.000 0.406 55 T C 1.133 175.858 174.700 0.041 0.000 1.540 55 T CA 2.059 64.187 62.100 0.045 0.000 2.506 55 T CB -1.323 67.537 68.868 -0.013 0.000 2.817 55 T HN 0.553 nan 8.240 nan 0.000 0.982 56 S N 1.604 117.320 115.700 0.026 0.000 2.954 56 S HA 0.371 4.841 4.470 -0.000 0.000 0.234 56 S C 0.590 175.192 174.600 0.002 0.000 0.978 56 S CA -0.186 58.021 58.200 0.011 0.000 1.045 56 S CB -0.632 62.572 63.200 0.007 0.000 0.807 56 S HN 0.630 nan 8.310 nan 0.000 0.508 57 V N 2.490 122.406 119.914 0.004 0.000 2.508 57 V HA 0.328 4.448 4.120 -0.000 0.000 0.281 57 V C 1.285 177.345 176.094 -0.057 0.000 1.041 57 V CA 0.251 62.520 62.300 -0.051 0.000 1.016 57 V CB 0.322 32.063 31.823 -0.135 0.000 0.984 57 V HN 0.698 nan 8.190 nan 0.000 0.478 58 T N -0.007 114.506 114.554 -0.068 0.000 3.313 58 T HA 0.148 4.498 4.350 -0.000 0.000 0.266 58 T C 0.858 175.513 174.700 -0.074 0.000 0.987 58 T CA 0.518 62.584 62.100 -0.056 0.000 1.086 58 T CB 0.198 69.046 68.868 -0.034 0.000 1.159 58 T HN 0.750 nan 8.240 nan 0.000 0.450 59 S N 2.165 117.820 115.700 -0.076 0.000 2.672 59 S HA 0.502 4.972 4.470 -0.000 0.000 0.276 59 S C -2.184 172.344 174.600 -0.121 0.000 1.207 59 S CA -1.206 56.944 58.200 -0.083 0.000 1.002 59 S CB 1.377 64.540 63.200 -0.061 0.000 0.998 59 S HN -0.040 nan 8.310 nan 0.000 0.542 60 P HA 0.081 nan 4.420 nan 0.000 0.222 60 P C 1.480 178.686 177.300 -0.156 0.000 1.147 60 P CA 1.157 64.143 63.100 -0.190 0.000 0.790 60 P CB -0.357 31.232 31.700 -0.184 0.000 0.780 61 G N 0.241 108.982 108.800 -0.098 0.000 2.448 61 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.218 61 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.218 61 G C 1.446 176.318 174.900 -0.047 0.000 1.135 61 G CA 0.586 45.652 45.100 -0.058 0.000 0.784 61 G HN 0.314 nan 8.290 nan 0.000 0.543 62 A N -0.405 122.373 122.820 -0.071 0.000 2.248 62 A HA 0.476 4.796 4.320 -0.000 0.000 0.210 62 A C 0.835 178.384 177.584 -0.059 0.000 1.174 62 A CA 0.250 52.251 52.037 -0.060 0.000 0.750 62 A CB -0.191 18.761 19.000 -0.079 0.000 0.780 62 A HN 0.333 nan 8.150 nan 0.000 0.478 63 L N -0.555 120.634 121.223 -0.056 0.000 2.319 63 L HA 0.661 5.001 4.340 -0.000 0.000 0.267 63 L C 0.146 177.136 176.870 0.201 0.000 1.011 63 L CA -1.101 53.755 54.840 0.027 0.000 0.818 63 L CB 1.923 43.928 42.059 -0.091 0.000 1.316 63 L HN 0.492 nan 8.230 nan 0.000 0.432 64 R N 0.242 120.950 120.500 0.346 0.000 2.668 64 R HA 0.499 4.839 4.340 -0.000 0.000 0.272 64 R C -1.191 175.233 176.300 0.207 0.000 1.019 64 R CA -1.092 55.202 56.100 0.323 0.000 0.894 64 R CB 1.236 31.621 30.300 0.141 0.000 1.228 64 R HN 0.340 nan 8.270 nan 0.000 0.460 65 R N 2.635 123.068 120.500 -0.111 0.000 2.483 65 R HA -0.018 4.322 4.340 -0.000 0.000 0.329 65 R C 0.148 176.287 176.300 -0.268 0.000 0.961 65 R CA 0.208 55.981 56.100 -0.545 0.000 1.041 65 R CB 0.014 30.012 30.300 -0.504 0.000 0.930 65 R HN 0.706 nan 8.270 nan 0.000 0.413 66 M N 2.917 122.365 119.600 -0.255 0.000 2.284 66 M HA -0.061 4.419 4.480 -0.000 0.000 0.351 66 M C 0.425 176.640 176.300 -0.142 0.000 1.443 66 M CA 0.764 55.989 55.300 -0.126 0.000 1.031 66 M CB 0.479 33.024 32.600 -0.091 0.000 1.893 66 M HN 0.688 nan 8.290 nan 0.000 0.456 67 T N 0.447 114.946 114.554 -0.091 0.000 2.919 67 T HA 0.417 4.767 4.350 -0.000 0.000 0.282 67 T C 1.070 175.730 174.700 -0.067 0.000 1.020 67 T CA -0.274 61.775 62.100 -0.085 0.000 0.994 67 T CB 1.187 70.016 68.868 -0.066 0.000 1.180 67 T HN 0.753 nan 8.240 nan 0.000 0.566 68 S N -0.310 115.353 115.700 -0.062 0.000 2.419 68 S HA -0.110 4.360 4.470 -0.000 0.000 0.233 68 S C 1.615 176.192 174.600 -0.038 0.000 1.016 68 S CA 0.888 59.056 58.200 -0.053 0.000 0.974 68 S CB -0.703 62.468 63.200 -0.050 0.000 0.786 68 S HN 0.769 nan 8.310 nan 0.000 0.492 69 K N 1.093 121.474 120.400 -0.032 0.000 2.611 69 K HA -0.008 4.312 4.320 -0.000 0.000 0.193 69 K C -0.315 176.276 176.600 -0.014 0.000 1.026 69 K CA 0.682 56.956 56.287 -0.021 0.000 1.063 69 K CB -0.111 32.379 32.500 -0.017 0.000 0.839 69 K HN 0.308 nan 8.250 nan 0.000 0.505 70 D N -0.298 120.091 120.400 -0.018 0.000 2.479 70 D HA 0.194 4.834 4.640 -0.000 0.000 0.218 70 D C -0.514 175.780 176.300 -0.009 0.000 1.177 70 D CA 0.016 54.011 54.000 -0.008 0.000 0.830 70 D CB 0.474 41.271 40.800 -0.005 0.000 1.014 70 D HN 0.060 nan 8.370 nan 0.000 0.503 98 E N 0.735 120.911 120.200 -0.041 0.000 2.392 98 E HA 0.327 4.677 4.350 -0.000 0.000 0.259 98 E C -2.264 174.295 176.600 -0.068 0.000 1.108 98 E CA -1.381 54.989 56.400 -0.050 0.000 0.916 98 E CB 0.780 30.451 29.700 -0.049 0.000 0.989 98 E HN 0.129 nan 8.360 nan 0.000 0.432 99 P HA 0.152 nan 4.420 nan 0.000 0.276 99 P C -0.738 176.489 177.300 -0.122 0.000 1.261 99 P CA -0.189 62.842 63.100 -0.114 0.000 0.800 99 P CB 0.637 32.263 31.700 -0.122 0.000 1.066 100 L N -0.237 120.890 121.223 -0.160 0.000 2.313 100 L HA 0.682 5.022 4.340 -0.000 0.000 0.268 100 L C -0.562 176.210 176.870 -0.162 0.000 1.010 100 L CA -1.064 53.685 54.840 -0.152 0.000 0.814 100 L CB 1.806 43.773 42.059 -0.154 0.000 1.304 100 L HN 0.029 nan 8.230 nan 0.000 0.441 101 V N 1.095 120.927 119.914 -0.135 0.000 2.841 101 V HA 0.319 4.439 4.120 -0.000 0.000 0.310 101 V C -0.309 175.721 176.094 -0.107 0.000 1.090 101 V CA -0.743 61.491 62.300 -0.112 0.000 0.930 101 V CB 2.576 34.352 31.823 -0.078 0.000 1.014 101 V HN 0.375 nan 8.190 nan 0.000 0.425 102 V N 4.624 124.490 119.914 -0.081 0.000 2.470 102 V HA 0.177 4.297 4.120 -0.000 0.000 0.276 102 V C 0.189 176.252 176.094 -0.051 0.000 1.040 102 V CA -0.213 62.042 62.300 -0.074 0.000 1.008 102 V CB 1.386 33.188 31.823 -0.035 0.000 0.990 102 V HN 0.594 nan 8.190 nan 0.000 0.477 103 V N 5.837 125.703 119.914 -0.080 0.000 2.408 103 V HA 0.207 4.327 4.120 -0.000 0.000 0.267 103 V C 0.898 177.008 176.094 0.027 0.000 1.047 103 V CA -0.330 61.956 62.300 -0.023 0.000 0.937 103 V CB 1.283 33.052 31.823 -0.090 0.000 0.999 103 V HN 1.079 nan 8.190 nan 0.000 0.472 104 T N 1.905 116.511 114.554 0.087 0.000 2.856 104 T HA 0.102 4.452 4.350 -0.000 0.000 0.306 104 T C 1.361 176.149 174.700 0.147 0.000 1.062 104 T CA -0.031 62.134 62.100 0.108 0.000 1.083 104 T CB 0.917 69.860 68.868 0.124 0.000 0.984 104 T HN 0.780 nan 8.240 nan 0.000 0.542 105 E N 1.357 121.636 120.200 0.131 0.000 2.097 105 E HA -0.340 4.009 4.350 -0.000 0.000 0.196 105 E C 1.712 178.407 176.600 0.158 0.000 1.000 105 E CA 1.886 58.364 56.400 0.130 0.000 0.804 105 E CB -0.967 28.796 29.700 0.106 0.000 0.740 105 E HN 0.898 nan 8.360 nan 0.000 0.454 106 H N 1.446 120.566 119.070 0.084 0.000 2.293 106 H HA 0.021 4.577 4.556 -0.000 0.000 0.300 106 H C 2.097 177.491 175.328 0.110 0.000 1.082 106 H CA 2.260 58.354 56.048 0.076 0.000 1.308 106 H CB -0.229 29.567 29.762 0.057 0.000 1.375 106 H HN 0.279 nan 8.280 nan 0.000 0.495 107 A N 1.251 124.293 122.820 0.370 0.000 1.948 107 A HA -0.152 4.168 4.320 -0.000 0.000 0.220 107 A C 2.847 180.682 177.584 0.417 0.000 1.177 107 A CA 1.660 53.958 52.037 0.435 0.000 0.636 107 A CB -0.851 18.402 19.000 0.420 0.000 0.815 107 A HN 0.474 nan 8.150 nan 0.000 0.449 108 I N -0.494 120.274 120.570 0.330 0.000 2.142 108 I HA -0.281 3.889 4.170 -0.000 0.000 0.240 108 I C 3.020 179.265 176.117 0.213 0.000 1.078 108 I CA 1.114 62.622 61.300 0.347 0.000 1.343 108 I CB -0.472 37.682 38.000 0.257 0.000 1.046 108 I HN 0.370 nan 8.210 nan 0.000 0.405 109 A N 0.992 123.877 122.820 0.108 0.000 1.908 109 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 109 A C 1.994 179.569 177.584 -0.015 0.000 1.181 109 A CA 2.476 54.529 52.037 0.026 0.000 0.627 109 A CB -0.916 18.053 19.000 -0.053 0.000 0.818 109 A HN 0.469 nan 8.150 nan 0.000 0.445 110 N N -1.339 117.319 118.700 -0.070 0.000 2.207 110 N HA 0.022 4.762 4.740 -0.000 0.000 0.182 110 N C 1.272 176.690 175.510 -0.154 0.000 1.020 110 N CA 1.276 54.235 53.050 -0.151 0.000 0.858 110 N CB -0.338 38.003 38.487 -0.244 0.000 0.991 110 N HN 0.460 nan 8.380 nan 0.000 0.427 111 F N 0.731 120.613 119.950 -0.113 0.000 2.293 111 F HA -0.087 4.440 4.527 -0.000 0.000 0.300 111 F C 2.271 178.049 175.800 -0.036 0.000 1.086 111 F CA 0.843 58.750 58.000 -0.155 0.000 1.375 111 F CB -0.431 38.250 39.000 -0.532 0.000 1.045 111 F HN 0.022 nan 8.300 nan 0.000 0.516 112 T N -0.415 114.234 114.554 0.159 0.000 2.777 112 T HA -0.156 4.194 4.350 -0.000 0.000 0.266 112 T C 1.894 176.670 174.700 0.127 0.000 1.040 112 T CA 1.099 63.303 62.100 0.175 0.000 1.141 112 T CB -0.159 68.802 68.868 0.155 0.000 0.868 112 T HN 0.205 nan 8.240 nan 0.000 0.444 113 K N 1.078 121.521 120.400 0.071 0.000 2.211 113 K HA 0.105 4.425 4.320 -0.000 0.000 0.203 113 K C 2.580 179.214 176.600 0.057 0.000 1.050 113 K CA 0.862 57.182 56.287 0.055 0.000 0.945 113 K CB -0.174 32.330 32.500 0.007 0.000 0.732 113 K HN 0.277 nan 8.250 nan 0.000 0.451 114 A N 1.786 124.629 122.820 0.038 0.000 1.873 114 A HA -0.201 4.119 4.320 -0.000 0.000 0.215 114 A C 1.877 179.508 177.584 0.077 0.000 1.186 114 A CA 1.382 53.435 52.037 0.027 0.000 0.616 114 A CB -0.360 18.646 19.000 0.010 0.000 0.823 114 A HN 0.271 nan 8.150 nan 0.000 0.442 115 E N -0.487 119.788 120.200 0.125 0.000 2.097 115 E HA -0.238 4.112 4.350 -0.000 0.000 0.196 115 E C 2.082 178.764 176.600 0.137 0.000 1.000 115 E CA 1.620 58.099 56.400 0.132 0.000 0.804 115 E CB -0.313 29.495 29.700 0.179 0.000 0.740 115 E HN 0.513 nan 8.360 nan 0.000 0.454 116 M N 0.227 119.922 119.600 0.158 0.000 2.144 116 M HA -0.190 4.290 4.480 -0.000 0.000 0.260 116 M C 2.490 179.006 176.300 0.360 0.000 1.067 116 M CA 1.474 56.911 55.300 0.228 0.000 1.095 116 M CB -1.263 31.493 32.600 0.260 0.000 1.365 116 M HN 0.140 nan 8.290 nan 0.000 0.406 117 A N 0.693 123.650 122.820 0.229 0.000 1.948 117 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 117 A C 2.343 180.053 177.584 0.209 0.000 1.177 117 A CA 1.615 53.749 52.037 0.162 0.000 0.636 117 A CB -0.914 18.113 19.000 0.046 0.000 0.815 117 A HN 0.529 nan 8.150 nan 0.000 0.449 118 L N -1.166 120.158 121.223 0.168 0.000 2.095 118 L HA -0.067 4.273 4.340 -0.000 0.000 0.204 118 L C 2.301 179.269 176.870 0.165 0.000 1.080 118 L CA 0.851 55.774 54.840 0.139 0.000 0.759 118 L CB -0.652 41.455 42.059 0.079 0.000 0.914 118 L HN 0.222 nan 8.230 nan 0.000 0.439 119 E N 0.165 120.458 120.200 0.156 0.000 2.401 119 E HA -0.167 4.183 4.350 -0.000 0.000 0.199 119 E C 1.956 178.605 176.600 0.082 0.000 1.023 119 E CA 1.021 57.474 56.400 0.089 0.000 0.859 119 E CB -0.259 29.461 29.700 0.033 0.000 0.780 119 E HN 0.401 nan 8.360 nan 0.000 0.523 120 F N 1.150 121.149 119.950 0.082 0.000 2.451 120 F HA -0.058 4.469 4.527 -0.000 0.000 0.299 120 F C 1.177 177.069 175.800 0.154 0.000 1.101 120 F CA 0.834 58.896 58.000 0.105 0.000 1.436 120 F CB 0.259 39.318 39.000 0.099 0.000 1.074 120 F HN -0.009 nan 8.300 nan 0.000 0.553 121 N N -0.523 118.363 118.700 0.310 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 0.104 0.000 1.354 121 N CA -0.030 53.184 53.050 0.274 0.000 0.889 121 N CB 0.436 39.127 38.487 0.340 0.000 1.285 121 N HN 0.056 nan 8.380 nan 0.000 0.503 122 R N 2.249 122.791 120.500 0.070 0.000 2.083 122 R HA -0.107 4.233 4.340 -0.000 0.000 0.237 122 R C 1.616 177.889 176.300 -0.045 0.000 1.137 122 R CA 1.782 57.883 56.100 0.001 0.000 0.951 122 R CB -0.219 30.081 30.300 0.001 0.000 0.851 122 R HN 0.169 nan 8.270 nan 0.000 0.434 123 E N -0.181 120.013 120.200 -0.011 0.000 2.130 123 E HA -0.229 4.121 4.350 -0.000 0.000 0.196 123 E C 1.970 178.497 176.600 -0.122 0.000 0.998 123 E CA 1.300 57.681 56.400 -0.032 0.000 0.806 123 E CB -0.748 28.971 29.700 0.032 0.000 0.738 123 E HN 0.420 nan 8.360 nan 0.000 0.459 124 F N 1.496 121.222 119.950 -0.374 0.000 2.149 124 F HA 0.013 4.540 4.527 -0.000 0.000 0.294 124 F C 2.278 177.737 175.800 -0.568 0.000 1.095 124 F CA 0.715 58.273 58.000 -0.738 0.000 1.276 124 F CB -0.394 37.683 39.000 -1.538 0.000 1.023 124 F HN -0.122 nan 8.300 nan 0.000 0.480 125 L N 0.195 121.113 121.223 -0.509 0.000 2.051 125 L HA -0.299 4.041 4.340 -0.000 0.000 0.214 125 L C 2.197 178.815 176.870 -0.420 0.000 1.076 125 L CA 1.828 56.393 54.840 -0.459 0.000 0.758 125 L CB -0.745 41.198 42.059 -0.193 0.000 0.890 125 L HN 0.174 nan 8.230 nan 0.000 0.433 126 D N -0.399 119.820 120.400 -0.303 0.000 2.103 126 D HA -0.185 4.455 4.640 -0.000 0.000 0.199 126 D C 2.061 178.205 176.300 -0.260 0.000 0.978 126 D CA 1.010 54.876 54.000 -0.223 0.000 0.829 126 D CB -0.053 40.664 40.800 -0.138 0.000 0.981 126 D HN 0.044 nan 8.370 nan 0.000 0.464 127 K N 0.403 120.612 120.400 -0.318 0.000 2.519 127 K HA -0.082 4.238 4.320 -0.000 0.000 0.196 127 K C 1.455 177.834 176.600 -0.369 0.000 1.041 127 K CA 0.319 56.448 56.287 -0.263 0.000 0.954 127 K CB -0.157 32.216 32.500 -0.212 0.000 0.774 127 K HN 0.025 nan 8.250 nan 0.000 0.480 128 L N 0.227 121.110 121.223 -0.566 0.000 2.640 128 L HA 0.287 4.627 4.340 -0.000 0.000 0.230 128 L C -0.478 176.210 176.870 -0.302 0.000 1.123 128 L CA 0.409 54.919 54.840 -0.549 0.000 0.900 128 L CB -0.018 41.495 42.059 -0.910 0.000 1.146 128 L HN 0.115 nan 8.230 nan 0.000 0.484 129 R N -0.749 119.608 120.500 -0.239 0.000 3.264 129 R HA -0.146 4.194 4.340 -0.000 0.000 0.251 129 R C -0.746 175.472 176.300 -0.137 0.000 0.971 129 R CA 0.798 56.807 56.100 -0.151 0.000 0.658 129 R CB -2.028 28.209 30.300 -0.106 0.000 1.095 129 R HN 0.166 nan 8.270 nan 0.000 0.443 130 V N 0.736 120.556 119.914 -0.157 0.000 2.932 130 V HA 0.406 4.526 4.120 -0.000 0.000 0.307 130 V C 0.217 176.249 176.094 -0.104 0.000 1.147 130 V CA -0.539 61.689 62.300 -0.121 0.000 0.951 130 V CB 1.926 33.670 31.823 -0.131 0.000 1.031 130 V HN 0.443 nan 8.190 nan 0.000 0.426 131 L N 5.268 126.450 121.223 -0.068 0.000 3.887 131 L HA -0.189 4.151 4.340 -0.000 0.000 0.546 131 L C 1.397 178.237 176.870 -0.049 0.000 1.196 131 L CA 1.171 55.982 54.840 -0.048 0.000 0.777 131 L CB -0.136 41.898 42.059 -0.042 0.000 1.346 131 L HN 1.104 nan 8.230 nan 0.000 0.810 132 S N -1.515 114.157 115.700 -0.047 0.000 2.489 132 S HA 0.084 4.554 4.470 -0.000 0.000 0.228 132 S C 0.744 175.332 174.600 -0.020 0.000 0.995 132 S CA 0.502 58.677 58.200 -0.042 0.000 0.934 132 S CB 0.188 63.362 63.200 -0.043 0.000 0.771 132 S HN 0.362 nan 8.310 nan 0.000 0.522 133 V N 4.298 124.206 119.914 -0.011 0.000 2.222 133 V HA 0.267 4.387 4.120 -0.000 0.000 0.253 133 V C 0.509 176.617 176.094 0.023 0.000 1.210 133 V CA -0.414 61.891 62.300 0.008 0.000 1.079 133 V CB -0.690 31.139 31.823 0.011 0.000 1.265 133 V HN 0.580 nan 8.190 nan 0.000 0.494 134 S N 4.364 120.081 115.700 0.028 0.000 2.589 134 S HA 0.105 4.575 4.470 -0.000 0.000 0.306 134 S C -0.979 173.674 174.600 0.088 0.000 1.221 134 S CA -0.739 57.490 58.200 0.048 0.000 1.159 134 S CB 0.286 63.515 63.200 0.047 0.000 0.990 134 S HN 0.518 nan 8.310 nan 0.000 0.514 135 P HA -0.301 nan 4.420 nan 0.000 0.232 135 P C 0.253 177.736 177.300 0.305 0.000 1.135 135 P CA 2.035 65.262 63.100 0.211 0.000 0.969 135 P CB -0.250 31.551 31.700 0.168 0.000 0.777 136 K N -3.313 117.254 120.400 0.278 0.000 5.502 136 K HA -0.278 4.042 4.320 -0.000 0.000 0.379 136 K C 0.585 177.303 176.600 0.198 0.000 0.908 136 K CA 0.090 56.509 56.287 0.220 0.000 1.130 136 K CB -1.219 31.355 32.500 0.122 0.000 1.893 136 K HN 0.050 nan 8.250 nan 0.000 0.379 137 Y N 2.253 122.560 120.300 0.012 0.000 2.097 137 Y HA -0.296 4.254 4.550 -0.000 0.000 0.282 137 Y C 2.343 178.112 175.900 -0.218 0.000 1.152 137 Y CA 2.507 60.382 58.100 -0.376 0.000 1.136 137 Y CB -0.555 37.660 38.460 -0.409 0.000 0.975 137 Y HN 0.728 nan 8.280 nan 0.000 0.498 138 S N -0.690 114.984 115.700 -0.045 0.000 2.440 138 S HA -0.216 4.254 4.470 -0.000 0.000 0.240 138 S C 1.638 176.192 174.600 -0.077 0.000 1.014 138 S CA 1.626 59.786 58.200 -0.067 0.000 0.980 138 S CB -0.539 62.693 63.200 0.053 0.000 0.775 138 S HN 0.495 nan 8.310 nan 0.000 0.499 139 D N 1.592 121.949 120.400 -0.071 0.000 2.123 139 D HA 0.072 4.712 4.640 -0.000 0.000 0.200 139 D C 1.583 177.821 176.300 -0.104 0.000 0.976 139 D CA 0.814 54.785 54.000 -0.049 0.000 0.831 139 D CB -0.337 40.459 40.800 -0.006 0.000 0.974 139 D HN 0.372 nan 8.370 nan 0.000 0.469 140 L N 0.231 121.333 121.223 -0.202 0.000 2.478 140 L HA 0.061 4.401 4.340 -0.000 0.000 0.223 140 L C 0.783 177.470 176.870 -0.305 0.000 1.140 140 L CA 0.388 55.089 54.840 -0.232 0.000 0.842 140 L CB -0.520 41.382 42.059 -0.261 0.000 0.953 140 L HN -0.014 nan 8.230 nan 0.000 0.452 141 L N -0.447 120.548 121.223 -0.381 0.000 2.439 141 L HA 0.202 4.542 4.340 -0.000 0.000 0.269 141 L C 0.038 176.738 176.870 -0.282 0.000 1.179 141 L CA 0.187 54.770 54.840 -0.428 0.000 0.828 141 L CB 0.323 42.070 42.059 -0.520 0.000 1.106 141 L HN 0.001 nan 8.230 nan 0.000 0.467 142 T N 1.304 115.646 114.554 -0.354 0.000 2.906 142 T HA 0.363 4.713 4.350 -0.000 0.000 0.302 142 T C -0.738 173.790 174.700 -0.287 0.000 1.002 142 T CA -0.501 61.484 62.100 -0.192 0.000 0.988 142 T CB 0.312 69.099 68.868 -0.136 0.000 0.972 142 T HN 0.104 nan 8.240 nan 0.000 0.447 143 Y N 2.038 122.286 120.300 -0.086 0.000 2.377 143 Y HA 0.494 5.044 4.550 -0.000 0.000 0.330 143 Y C 0.454 176.313 175.900 -0.068 0.000 1.108 143 Y CA -0.518 57.536 58.100 -0.076 0.000 1.308 143 Y CB 0.518 38.939 38.460 -0.064 0.000 1.216 143 Y HN 0.300 nan 8.280 nan 0.000 0.518 144 V N 3.041 122.955 119.914 -0.000 0.000 2.971 144 V HA 0.253 4.373 4.120 -0.000 0.000 0.309 144 V C -0.994 175.056 176.094 -0.074 0.000 1.130 144 V CA -1.277 61.007 62.300 -0.027 0.000 0.964 144 V CB 2.429 34.216 31.823 -0.061 0.000 1.029 144 V HN 0.558 nan 8.190 nan 0.000 0.427 145 D N 2.691 123.049 120.400 -0.070 0.000 2.264 145 D HA 0.723 5.363 4.640 -0.000 0.000 0.250 145 D C -0.239 175.878 176.300 -0.306 0.000 1.113 145 D CA 0.333 54.222 54.000 -0.185 0.000 0.871 145 D CB 1.087 41.909 40.800 0.037 0.000 1.167 145 D HN 1.004 nan 8.370 nan 0.000 0.447 146 C N 0.445 119.279 119.300 -0.776 0.000 3.167 146 C HA 0.431 4.890 4.460 -0.000 0.000 0.348 146 C C -1.536 173.030 174.990 -0.707 0.000 1.394 146 C CA -1.269 57.431 59.018 -0.531 0.000 1.204 146 C CB -0.183 27.485 27.740 -0.119 0.000 1.467 146 C HN 0.489 nan 8.230 nan 0.000 0.446 147 Y N 0.548 120.811 120.300 -0.061 0.000 2.304 147 Y HA 0.621 5.171 4.550 -0.000 0.000 0.328 147 Y C 0.574 176.561 175.900 0.145 0.000 1.123 147 Y CA -0.278 57.870 58.100 0.080 0.000 1.218 147 Y CB 1.183 39.772 38.460 0.215 0.000 1.207 147 Y HN 0.597 nan 8.280 nan 0.000 0.495 148 V N 2.393 122.450 119.914 0.238 0.000 2.604 148 V HA 0.952 5.072 4.120 -0.000 0.000 0.305 148 V C 0.117 176.354 176.094 0.237 0.000 1.043 148 V CA -0.523 61.919 62.300 0.236 0.000 0.888 148 V CB 1.476 33.347 31.823 0.081 0.000 0.995 148 V HN 0.971 nan 8.190 nan 0.000 0.429 149 G N 2.227 111.225 108.800 0.331 0.000 2.340 149 G HA2 0.365 4.325 3.960 -0.000 0.000 0.298 149 G HA3 0.365 4.325 3.960 -0.000 0.000 0.298 149 G C -0.227 174.893 174.900 0.367 0.000 1.498 149 G CA -0.040 45.202 45.100 0.236 0.000 0.847 149 G HN 0.384 nan 8.290 nan 0.000 0.594 150 V N 0.254 120.296 119.914 0.215 0.000 2.591 150 V HA 0.140 4.260 4.120 -0.000 0.000 0.249 150 V C 1.710 177.966 176.094 0.270 0.000 1.053 150 V CA 2.168 64.600 62.300 0.219 0.000 1.068 150 V CB -0.062 31.830 31.823 0.116 0.000 0.689 150 V HN 1.082 nan 8.190 nan 0.000 0.462 151 S N -1.080 114.689 115.700 0.114 0.000 2.726 151 S HA 0.743 5.213 4.470 -0.000 0.000 0.308 151 S C 0.862 175.162 174.600 -0.499 0.000 1.115 151 S CA -0.029 58.139 58.200 -0.053 0.000 0.965 151 S CB 1.977 65.132 63.200 -0.076 0.000 1.145 151 S HN 0.175 nan 8.310 nan 0.000 0.532 152 A N 1.229 123.607 122.820 -0.737 0.000 1.854 152 A HA 0.030 4.350 4.320 -0.000 0.000 0.214 152 A C 2.216 179.457 177.584 -0.571 0.000 1.192 152 A CA 1.506 52.910 52.037 -1.054 0.000 0.611 152 A CB -1.142 17.411 19.000 -0.745 0.000 0.832 152 A HN 0.963 nan 8.150 nan 0.000 0.442 153 R N -0.284 120.015 120.500 -0.335 0.000 2.112 153 R HA -0.277 4.063 4.340 -0.000 0.000 0.242 153 R C 2.460 178.662 176.300 -0.163 0.000 1.137 153 R CA 2.341 58.319 56.100 -0.205 0.000 0.944 153 R CB -0.498 29.723 30.300 -0.132 0.000 0.857 153 R HN 0.709 nan 8.270 nan 0.000 0.435 154 Q N -0.252 119.463 119.800 -0.142 0.000 2.030 154 Q HA -0.217 4.123 4.340 -0.000 0.000 0.204 154 Q C 2.021 177.982 176.000 -0.064 0.000 0.986 154 Q CA 2.077 57.836 55.803 -0.073 0.000 0.843 154 Q CB -0.294 28.422 28.738 -0.036 0.000 0.904 154 Q HN 0.518 nan 8.270 nan 0.000 0.420 155 A N 1.054 123.784 122.820 -0.149 0.000 1.917 155 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 155 A C 2.041 179.641 177.584 0.026 0.000 1.182 155 A CA 1.552 53.543 52.037 -0.077 0.000 0.633 155 A CB -0.971 17.796 19.000 -0.389 0.000 0.819 155 A HN 0.532 nan 8.150 nan 0.000 0.448 156 L N 0.502 121.644 121.223 -0.135 0.000 2.089 156 L HA -0.175 4.165 4.340 -0.000 0.000 0.213 156 L C 0.890 177.814 176.870 0.091 0.000 1.079 156 L CA 2.039 56.812 54.840 -0.112 0.000 0.758 156 L CB -0.637 41.315 42.059 -0.178 0.000 0.891 156 L HN 0.474 nan 8.230 nan 0.000 0.433 157 N N -0.231 118.521 118.700 0.088 0.000 2.389 157 N HA 0.075 4.815 4.740 -0.000 0.000 0.260 157 N C -0.381 175.215 175.510 0.143 0.000 1.191 157 N CA 0.075 53.195 53.050 0.116 0.000 0.885 157 N CB 0.002 38.520 38.487 0.053 0.000 1.162 157 N HN 0.296 nan 8.380 nan 0.000 0.512 158 N N 0.727 119.554 118.700 0.212 0.000 2.722 158 N HA 0.117 4.857 4.740 -0.000 0.000 0.242 158 N C -1.641 173.975 175.510 0.177 0.000 1.398 158 N CA -0.424 52.725 53.050 0.164 0.000 0.755 158 N CB 0.186 38.737 38.487 0.107 0.000 1.268 158 N HN -0.017 nan 8.380 nan 0.000 0.522 159 F N 1.715 121.663 119.950 -0.004 0.000 2.399 159 F HA 0.502 5.029 4.527 -0.000 0.000 0.342 159 F C -0.205 175.535 175.800 -0.099 0.000 1.106 159 F CA 0.273 58.156 58.000 -0.195 0.000 1.196 159 F CB 0.770 39.553 39.000 -0.361 0.000 1.163 159 F HN 0.253 nan 8.300 nan 0.000 0.547 160 Q N 4.881 124.241 119.800 -0.733 0.000 2.397 160 Q HA 0.358 4.698 4.340 -0.000 0.000 0.275 160 Q C -1.291 174.427 176.000 -0.470 0.000 1.090 160 Q CA -1.051 54.524 55.803 -0.379 0.000 0.809 160 Q CB 2.620 31.230 28.738 -0.214 0.000 1.362 160 Q HN 0.637 nan 8.270 nan 0.000 0.431 161 K N 1.978 122.288 120.400 -0.151 0.000 2.185 161 K HA 0.268 4.588 4.320 -0.000 0.000 0.269 161 K C -0.545 176.041 176.600 -0.023 0.000 0.987 161 K CA -0.550 55.701 56.287 -0.060 0.000 0.865 161 K CB 1.002 33.529 32.500 0.046 0.000 1.090 161 K HN 0.379 nan 8.250 nan 0.000 0.450 162 Q N -0.128 119.675 119.800 0.005 0.000 2.456 162 Q HA -0.135 4.205 4.340 -0.000 0.000 0.325 162 Q C -0.935 175.152 176.000 0.143 0.000 1.453 162 Q CA 0.354 56.224 55.803 0.112 0.000 0.848 162 Q CB -1.942 26.854 28.738 0.097 0.000 1.123 162 Q HN 0.380 nan 8.270 nan 0.000 0.374 163 V N 1.526 121.445 119.914 0.009 0.000 2.406 163 V HA 0.275 4.395 4.120 -0.000 0.000 0.272 163 V C -1.796 174.169 176.094 -0.215 0.000 1.043 163 V CA -1.466 60.794 62.300 -0.067 0.000 0.915 163 V CB 1.420 33.176 31.823 -0.111 0.000 0.988 163 V HN 0.151 nan 8.190 nan 0.000 0.466 164 P HA 0.215 nan 4.420 nan 0.000 0.267 164 P C -0.753 176.308 177.300 -0.399 0.000 1.209 164 P CA 0.316 63.016 63.100 -0.667 0.000 0.763 164 P CB 0.680 32.100 31.700 -0.466 0.000 0.816 165 V N 5.439 125.105 119.914 -0.412 0.000 2.962 165 V HA 0.617 4.737 4.120 -0.000 0.000 0.313 165 V C -0.140 175.795 176.094 -0.264 0.000 1.099 165 V CA -0.698 61.441 62.300 -0.269 0.000 0.971 165 V CB 2.530 34.229 31.823 -0.208 0.000 1.028 165 V HN 0.452 nan 8.190 nan 0.000 0.430 166 I N 1.545 121.992 120.570 -0.204 0.000 2.882 166 I HA 0.524 4.694 4.170 -0.000 0.000 0.298 166 I C -0.309 175.729 176.117 -0.132 0.000 1.462 166 I CA -0.222 60.967 61.300 -0.185 0.000 1.000 166 I CB 2.859 40.725 38.000 -0.224 0.000 1.340 166 I HN 0.847 nan 8.210 nan 0.000 0.462 167 T N 2.281 116.770 114.554 -0.109 0.000 2.922 167 T HA 0.452 4.802 4.350 -0.000 0.000 0.285 167 T C -2.220 172.442 174.700 -0.063 0.000 1.005 167 T CA -1.560 60.491 62.100 -0.083 0.000 1.061 167 T CB 1.456 70.283 68.868 -0.069 0.000 1.007 167 T HN 0.339 nan 8.240 nan 0.000 0.502 168 P HA -0.132 nan 4.420 nan 0.000 0.215 168 P C 1.726 179.016 177.300 -0.017 0.000 1.163 168 P CA 1.406 64.488 63.100 -0.031 0.000 0.894 168 P CB -0.269 31.414 31.700 -0.028 0.000 0.791 169 T N -1.000 113.542 114.554 -0.019 0.000 2.699 169 T HA -0.211 4.139 4.350 -0.000 0.000 0.268 169 T C 1.895 176.595 174.700 0.001 0.000 1.036 169 T CA 1.457 63.552 62.100 -0.008 0.000 1.147 169 T CB -0.475 68.385 68.868 -0.013 0.000 0.862 169 T HN 0.148 nan 8.240 nan 0.000 0.446 170 R N 0.366 120.858 120.500 -0.012 0.000 2.090 170 R HA -0.059 4.281 4.340 -0.000 0.000 0.228 170 R C 2.569 178.888 176.300 0.033 0.000 1.110 170 R CA 1.149 57.248 56.100 -0.002 0.000 0.973 170 R CB -0.131 30.144 30.300 -0.042 0.000 0.869 170 R HN 0.236 nan 8.270 nan 0.000 0.440 171 Q N 0.023 119.828 119.800 0.009 0.000 2.050 171 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 171 Q C 1.628 177.678 176.000 0.084 0.000 0.980 171 Q CA 2.578 58.403 55.803 0.037 0.000 0.840 171 Q CB -0.389 28.339 28.738 -0.017 0.000 0.898 171 Q HN 0.234 nan 8.270 nan 0.000 0.424 172 T N 1.202 115.786 114.554 0.049 0.000 2.674 172 T HA -0.164 4.186 4.350 -0.000 0.000 0.265 172 T C 1.613 176.347 174.700 0.057 0.000 1.039 172 T CA 1.530 63.659 62.100 0.048 0.000 1.150 172 T CB -0.397 68.487 68.868 0.027 0.000 0.864 172 T HN 0.396 nan 8.240 nan 0.000 0.427 173 M N 0.384 120.019 119.600 0.058 0.000 2.106 173 M HA -0.186 4.294 4.480 -0.000 0.000 0.259 173 M C 2.161 178.513 176.300 0.086 0.000 1.068 173 M CA 1.877 57.211 55.300 0.057 0.000 1.100 173 M CB -0.617 32.014 32.600 0.051 0.000 1.351 173 M HN 0.388 nan 8.290 nan 0.000 0.404 174 Y N 1.043 121.350 120.300 0.012 0.000 2.089 174 Y HA -0.195 4.355 4.550 -0.000 0.000 0.282 174 Y C 2.126 178.048 175.900 0.035 0.000 1.139 174 Y CA 2.350 60.472 58.100 0.036 0.000 1.123 174 Y CB -0.912 37.592 38.460 0.073 0.000 0.980 174 Y HN 0.050 nan 8.280 nan 0.000 0.493 175 V N 0.940 120.799 119.914 -0.091 0.000 2.392 175 V HA -0.313 3.807 4.120 -0.000 0.000 0.249 175 V C 2.021 178.045 176.094 -0.117 0.000 1.059 175 V CA 2.238 64.455 62.300 -0.138 0.000 1.051 175 V CB -0.715 31.147 31.823 0.065 0.000 0.658 175 V HN 0.444 nan 8.190 nan 0.000 0.455 176 D N 0.239 120.604 120.400 -0.057 0.000 2.263 176 D HA -0.118 4.522 4.640 -0.000 0.000 0.208 176 D C 2.395 178.656 176.300 -0.065 0.000 0.971 176 D CA 1.677 55.652 54.000 -0.040 0.000 0.867 176 D CB -0.009 40.783 40.800 -0.012 0.000 0.929 176 D HN 0.638 nan 8.370 nan 0.000 0.492 177 S N 0.068 115.703 115.700 -0.108 0.000 2.395 177 S HA -0.032 4.438 4.470 -0.000 0.000 0.225 177 S C 2.203 176.727 174.600 -0.128 0.000 1.027 177 S CA 0.197 58.336 58.200 -0.101 0.000 0.965 177 S CB -0.349 62.794 63.200 -0.094 0.000 0.812 177 S HN 0.193 nan 8.310 nan 0.000 0.482 178 I N 1.346 121.786 120.570 -0.217 0.000 2.252 178 I HA -0.138 4.032 4.170 -0.000 0.000 0.245 178 I C 3.034 179.102 176.117 -0.081 0.000 1.102 178 I CA 1.141 62.340 61.300 -0.168 0.000 1.385 178 I CB -0.416 37.442 38.000 -0.236 0.000 1.064 178 I HN 0.349 nan 8.210 nan 0.000 0.414 179 Q N 0.717 120.475 119.800 -0.070 0.000 2.050 179 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 179 Q C 2.466 178.453 176.000 -0.022 0.000 0.980 179 Q CA 1.816 57.600 55.803 -0.033 0.000 0.840 179 Q CB -0.425 28.300 28.738 -0.022 0.000 0.898 179 Q HN 0.540 nan 8.270 nan 0.000 0.424 180 A N 1.156 123.960 122.820 -0.028 0.000 1.940 180 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 180 A C 2.321 179.896 177.584 -0.013 0.000 1.176 180 A CA 1.987 54.013 52.037 -0.018 0.000 0.631 180 A CB -0.623 18.364 19.000 -0.023 0.000 0.814 180 A HN 0.380 nan 8.150 nan 0.000 0.446 181 A N -0.233 122.575 122.820 -0.020 0.000 1.873 181 A HA -0.010 4.310 4.320 -0.000 0.000 0.215 181 A C 2.154 179.748 177.584 0.016 0.000 1.186 181 A CA 1.426 53.458 52.037 -0.009 0.000 0.616 181 A CB -0.648 18.344 19.000 -0.014 0.000 0.823 181 A HN 0.464 nan 8.150 nan 0.000 0.442 182 L N -0.524 120.707 121.223 0.014 0.000 2.079 182 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 182 L C 2.591 179.484 176.870 0.037 0.000 1.081 182 L CA 1.845 56.703 54.840 0.030 0.000 0.752 182 L CB -0.422 41.644 42.059 0.012 0.000 0.896 182 L HN 0.422 nan 8.230 nan 0.000 0.433 183 K N 0.906 121.320 120.400 0.024 0.000 2.097 183 K HA -0.145 4.175 4.320 -0.000 0.000 0.206 183 K C 1.936 178.562 176.600 0.044 0.000 1.049 183 K CA 1.662 57.965 56.287 0.027 0.000 0.933 183 K CB -0.290 32.219 32.500 0.015 0.000 0.717 183 K HN 0.224 nan 8.250 nan 0.000 0.442 184 A N 0.431 123.278 122.820 0.044 0.000 1.929 184 A HA 0.029 4.349 4.320 -0.000 0.000 0.216 184 A C 2.061 179.720 177.584 0.126 0.000 1.176 184 A CA 1.224 53.295 52.037 0.058 0.000 0.628 184 A CB -0.474 18.536 19.000 0.017 0.000 0.816 184 A HN 0.317 nan 8.150 nan 0.000 0.444 185 L N -0.697 120.607 121.223 0.136 0.000 2.478 185 L HA -0.071 4.269 4.340 -0.000 0.000 0.223 185 L C 2.089 179.069 176.870 0.183 0.000 1.140 185 L CA 0.680 55.648 54.840 0.214 0.000 0.842 185 L CB -0.447 41.733 42.059 0.202 0.000 0.953 185 L HN 0.553 nan 8.230 nan 0.000 0.452 186 E N 1.119 121.389 120.200 0.117 0.000 2.164 186 E HA -0.396 3.954 4.350 -0.000 0.000 0.233 186 E C 2.153 178.797 176.600 0.074 0.000 1.073 186 E CA 2.465 58.912 56.400 0.078 0.000 0.941 186 E CB -0.020 29.717 29.700 0.062 0.000 0.820 186 E HN 0.342 nan 8.360 nan 0.000 0.486 187 K N -0.120 120.338 120.400 0.095 0.000 2.044 187 K HA -0.146 4.174 4.320 -0.000 0.000 0.204 187 K C 2.184 178.816 176.600 0.054 0.000 1.049 187 K CA 1.069 57.398 56.287 0.069 0.000 0.945 187 K CB -0.480 32.072 32.500 0.087 0.000 0.724 187 K HN 0.463 nan 8.250 nan 0.000 0.440 188 W N 2.640 123.858 121.300 -0.137 0.000 2.308 188 W HA -0.291 4.368 4.660 -0.000 0.000 0.301 188 W C 1.509 177.910 176.519 -0.198 0.000 1.220 188 W CA 2.245 59.403 57.345 -0.311 0.000 1.240 188 W CB -0.085 28.999 29.460 -0.628 0.000 1.142 188 W HN 0.254 nan 8.180 nan 0.000 0.521 189 E N 0.721 120.911 120.200 -0.016 0.000 2.058 189 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 189 E C 2.075 178.579 176.600 -0.159 0.000 0.997 189 E CA 2.507 58.856 56.400 -0.085 0.000 0.801 189 E CB -0.902 28.803 29.700 0.010 0.000 0.746 189 E HN 0.385 nan 8.360 nan 0.000 0.450 190 I N 0.725 121.226 120.570 -0.114 0.000 2.193 190 I HA -0.215 3.955 4.170 -0.000 0.000 0.240 190 I C 1.804 177.826 176.117 -0.158 0.000 1.084 190 I CA 1.339 62.574 61.300 -0.109 0.000 1.365 190 I CB -0.387 37.577 38.000 -0.061 0.000 1.064 190 I HN 0.130 nan 8.210 nan 0.000 0.410 191 D N 0.770 121.054 120.400 -0.193 0.000 2.182 191 D HA -0.184 4.456 4.640 -0.000 0.000 0.201 191 D C 2.030 178.135 176.300 -0.324 0.000 0.986 191 D CA 1.227 55.091 54.000 -0.226 0.000 0.847 191 D CB -0.141 40.527 40.800 -0.221 0.000 0.942 191 D HN 0.183 nan 8.370 nan 0.000 0.467 192 L N 0.738 121.672 121.223 -0.482 0.000 2.156 192 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 192 L C 2.217 178.927 176.870 -0.266 0.000 1.095 192 L CA 1.343 55.884 54.840 -0.499 0.000 0.770 192 L CB -0.095 41.535 42.059 -0.715 0.000 0.914 192 L HN -0.174 nan 8.230 nan 0.000 0.439 193 R N -1.765 118.611 120.500 -0.207 0.000 2.090 193 R HA -0.041 4.299 4.340 -0.000 0.000 0.228 193 R C 2.106 178.344 176.300 -0.104 0.000 1.110 193 R CA 1.186 57.208 56.100 -0.131 0.000 0.973 193 R CB -0.348 29.887 30.300 -0.109 0.000 0.869 193 R HN 0.214 nan 8.270 nan 0.000 0.440 194 V N 0.982 120.828 119.914 -0.113 0.000 2.490 194 V HA -0.238 3.882 4.120 -0.000 0.000 0.250 194 V C 2.306 178.355 176.094 -0.075 0.000 1.061 194 V CA 1.992 64.242 62.300 -0.083 0.000 1.064 194 V CB -0.555 31.218 31.823 -0.083 0.000 0.670 194 V HN 0.403 nan 8.190 nan 0.000 0.461 195 A N -0.836 121.923 122.820 -0.101 0.000 1.968 195 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 195 A C 2.100 179.657 177.584 -0.045 0.000 1.169 195 A CA 1.179 53.170 52.037 -0.076 0.000 0.638 195 A CB -0.303 18.635 19.000 -0.102 0.000 0.812 195 A HN 0.625 nan 8.150 nan 0.000 0.446 196 Q N -0.565 119.204 119.800 -0.053 0.000 2.451 196 Q HA -0.024 4.316 4.340 -0.000 0.000 0.206 196 Q C 1.341 177.332 176.000 -0.014 0.000 0.947 196 Q CA 1.311 57.097 55.803 -0.027 0.000 0.937 196 Q CB 0.036 28.753 28.738 -0.034 0.000 1.025 196 Q HN 0.825 nan 8.270 nan 0.000 0.511 197 T N -3.342 111.200 114.554 -0.019 0.000 3.004 197 T HA 0.100 4.450 4.350 -0.000 0.000 0.266 197 T C 1.433 176.134 174.700 0.002 0.000 0.986 197 T CA -0.320 61.775 62.100 -0.008 0.000 0.902 197 T CB 0.061 68.916 68.868 -0.022 0.000 1.118 197 T HN 0.019 nan 8.240 nan 0.000 0.522 198 L N 1.874 123.097 121.223 0.000 0.000 2.079 198 L HA 0.343 4.683 4.340 -0.000 0.000 0.210 198 L C 0.642 177.545 176.870 0.055 0.000 1.081 198 L CA 1.435 56.283 54.840 0.013 0.000 0.752 198 L CB -0.342 41.715 42.059 -0.002 0.000 0.896 198 L HN 0.653 nan 8.230 nan 0.000 0.433 199 L N -4.922 116.346 121.223 0.074 0.000 2.350 199 L HA 0.636 4.976 4.340 -0.000 0.000 0.260 199 L C -2.571 174.371 176.870 0.119 0.000 1.015 199 L CA -2.077 52.866 54.840 0.172 0.000 0.821 199 L CB 1.070 43.239 42.059 0.185 0.000 1.370 199 L HN -0.335 nan 8.230 nan 0.000 0.416 200 P HA 0.118 nan 4.420 nan 0.000 0.261 200 P C -0.126 177.220 177.300 0.077 0.000 1.203 200 P CA 0.243 63.411 63.100 0.114 0.000 0.767 200 P CB 0.802 32.593 31.700 0.152 0.000 0.785 201 T N 1.422 116.006 114.554 0.051 0.000 3.040 201 T HA 0.150 4.500 4.350 -0.000 0.000 0.250 201 T C 0.467 175.183 174.700 0.026 0.000 1.058 201 T CA 0.418 62.535 62.100 0.029 0.000 0.988 201 T CB -0.136 68.743 68.868 0.018 0.000 0.993 201 T HN 0.362 nan 8.240 nan 0.000 0.519 202 N N -0.141 118.582 118.700 0.038 0.000 2.902 202 N HA 0.623 5.363 4.740 -0.000 0.000 0.268 202 N C -1.834 173.708 175.510 0.053 0.000 1.450 202 N CA -0.391 52.680 53.050 0.035 0.000 0.819 202 N CB 2.699 41.201 38.487 0.026 0.000 1.540 202 N HN -0.072 nan 8.380 nan 0.000 0.545 203 V N 1.509 121.450 119.914 0.046 0.000 2.891 203 V HA 0.293 4.413 4.120 -0.000 0.000 0.304 203 V C -1.746 174.373 176.094 0.040 0.000 1.171 203 V CA -1.364 60.971 62.300 0.059 0.000 0.943 203 V CB 2.143 34.001 31.823 0.059 0.000 1.037 203 V HN 0.530 nan 8.190 nan 0.000 0.427 204 P HA 0.045 nan 4.420 nan 0.000 0.216 204 P C 0.041 177.353 177.300 0.019 0.000 1.150 204 P CA 1.356 64.469 63.100 0.023 0.000 0.843 204 P CB 0.330 32.041 31.700 0.019 0.000 0.787 205 I N -4.223 116.362 120.570 0.026 0.000 2.908 205 I HA 0.483 4.653 4.170 -0.000 0.000 0.300 205 I C 0.184 176.315 176.117 0.023 0.000 1.385 205 I CA -0.216 61.096 61.300 0.020 0.000 1.004 205 I CB 1.556 39.567 38.000 0.017 0.000 1.309 205 I HN 0.287 nan 8.210 nan 0.000 0.449 206 G N 4.629 113.439 108.800 0.017 0.000 2.528 206 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.262 206 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.262 206 G C -0.553 174.355 174.900 0.013 0.000 1.200 206 G CA 0.574 45.682 45.100 0.015 0.000 0.951 206 G HN 0.995 nan 8.290 nan 0.000 0.566 207 E N -1.511 118.696 120.200 0.012 0.000 2.392 207 E HA 0.595 4.945 4.350 -0.000 0.000 0.279 207 E C -0.659 175.945 176.600 0.007 0.000 0.964 207 E CA -0.428 55.976 56.400 0.007 0.000 0.777 207 E CB 2.267 31.966 29.700 -0.002 0.000 1.249 207 E HN 1.654 nan 8.360 nan 0.000 0.449 208 V N -0.456 119.459 119.914 0.001 0.000 3.114 208 V HA 0.910 5.030 4.120 -0.000 0.000 0.308 208 V C -0.794 175.288 176.094 -0.020 0.000 1.168 208 V CA -0.298 61.999 62.300 -0.004 0.000 1.015 208 V CB 1.441 33.269 31.823 0.009 0.000 1.050 208 V HN 0.791 nan 8.190 nan 0.000 0.433 209 S N 0.630 116.312 115.700 -0.030 0.000 2.618 209 S HA 0.903 5.373 4.470 -0.000 0.000 0.277 209 S C -0.901 173.666 174.600 -0.055 0.000 1.138 209 S CA -0.361 57.813 58.200 -0.044 0.000 0.844 209 S CB 1.595 64.768 63.200 -0.044 0.000 1.127 209 S HN 2.393 nan 8.310 nan 0.000 0.474 210 C N 1.450 120.712 119.300 -0.064 0.000 3.181 210 C HA 0.634 5.094 4.460 -0.000 0.000 0.362 210 C C -3.053 171.896 174.990 -0.068 0.000 1.125 210 C CA -0.983 57.992 59.018 -0.071 0.000 1.265 210 C CB 0.589 28.279 27.740 -0.083 0.000 1.632 210 C HN 0.906 nan 8.230 nan 0.000 0.525 211 P HA 0.078 nan 4.420 nan 0.000 0.256 211 P C 0.843 178.118 177.300 -0.041 0.000 1.189 211 P CA 0.449 63.524 63.100 -0.042 0.000 0.808 211 P CB 0.298 31.983 31.700 -0.025 0.000 0.793 212 M N 3.886 123.450 119.600 -0.060 0.000 2.192 212 M HA -0.295 4.185 4.480 -0.000 0.000 0.256 212 M C 1.513 177.821 176.300 0.014 0.000 1.076 212 M CA 1.963 57.224 55.300 -0.066 0.000 1.075 212 M CB -0.563 31.954 32.600 -0.138 0.000 1.368 212 M HN 0.340 nan 8.290 nan 0.000 0.406 213 Q N -1.541 118.277 119.800 0.029 0.000 2.172 213 Q HA -0.091 4.249 4.340 -0.000 0.000 0.200 213 Q C 2.085 178.114 176.000 0.049 0.000 0.964 213 Q CA 1.677 57.515 55.803 0.059 0.000 0.855 213 Q CB -0.171 28.599 28.738 0.054 0.000 0.918 213 Q HN 0.553 nan 8.270 nan 0.000 0.444 214 S N 0.424 116.141 115.700 0.028 0.000 2.368 214 S HA -0.098 4.372 4.470 -0.000 0.000 0.224 214 S C 2.165 176.738 174.600 -0.046 0.000 1.029 214 S CA 0.925 59.147 58.200 0.037 0.000 0.988 214 S CB -0.135 63.079 63.200 0.023 0.000 0.838 214 S HN 0.134 nan 8.310 nan 0.000 0.462 215 V N 1.556 121.439 119.914 -0.053 0.000 2.295 215 V HA -0.141 3.979 4.120 -0.000 0.000 0.246 215 V C 2.297 178.354 176.094 -0.062 0.000 1.049 215 V CA 1.498 63.751 62.300 -0.078 0.000 1.024 215 V CB -0.716 31.081 31.823 -0.042 0.000 0.648 215 V HN 0.344 nan 8.190 nan 0.000 0.447 216 V N -0.440 119.484 119.914 0.016 0.000 2.515 216 V HA -0.189 3.931 4.120 -0.000 0.000 0.250 216 V C 2.557 178.644 176.094 -0.011 0.000 1.058 216 V CA 1.514 63.839 62.300 0.042 0.000 1.064 216 V CB -0.698 31.195 31.823 0.117 0.000 0.675 216 V HN 0.486 nan 8.190 nan 0.000 0.461 217 K N -0.120 120.272 120.400 -0.012 0.000 2.009 217 K HA -0.182 4.138 4.320 -0.000 0.000 0.210 217 K C 2.155 178.647 176.600 -0.179 0.000 1.049 217 K CA 1.431 57.732 56.287 0.024 0.000 0.929 217 K CB -0.792 31.819 32.500 0.184 0.000 0.714 217 K HN 0.337 nan 8.250 nan 0.000 0.440 218 L N 1.830 122.722 121.223 -0.553 0.000 1.990 218 L HA -0.179 4.161 4.340 -0.000 0.000 0.213 218 L C 2.264 178.914 176.870 -0.366 0.000 1.072 218 L CA 1.525 55.821 54.840 -0.907 0.000 0.755 218 L CB -0.757 40.810 42.059 -0.820 0.000 0.889 218 L HN 0.112 nan 8.230 nan 0.000 0.432 219 L N -0.450 120.651 121.223 -0.203 0.000 2.013 219 L HA -0.284 4.056 4.340 -0.000 0.000 0.212 219 L C 2.397 179.230 176.870 -0.062 0.000 1.073 219 L CA 1.860 56.642 54.840 -0.098 0.000 0.753 219 L CB -0.876 41.154 42.059 -0.048 0.000 0.890 219 L HN 0.415 nan 8.230 nan 0.000 0.432 220 D N -0.205 120.169 120.400 -0.044 0.000 2.178 220 D HA -0.253 4.387 4.640 -0.000 0.000 0.201 220 D C 1.760 178.069 176.300 0.015 0.000 0.980 220 D CA 1.365 55.363 54.000 -0.003 0.000 0.842 220 D CB 0.022 40.834 40.800 0.019 0.000 0.948 220 D HN 0.287 nan 8.370 nan 0.000 0.472 221 D N -1.578 118.830 120.400 0.015 0.000 2.289 221 D HA -0.046 4.594 4.640 -0.000 0.000 0.207 221 D C 1.573 177.901 176.300 0.046 0.000 0.966 221 D CA 0.806 54.853 54.000 0.078 0.000 0.868 221 D CB 0.235 41.175 40.800 0.233 0.000 0.943 221 D HN 0.094 nan 8.370 nan 0.000 0.514 222 Q N -0.571 119.226 119.800 -0.005 0.000 2.369 222 Q HA 0.209 4.549 4.340 -0.000 0.000 0.254 222 Q C 0.520 176.517 176.000 -0.006 0.000 0.858 222 Q CA -0.134 55.669 55.803 0.000 0.000 0.961 222 Q CB 0.690 29.420 28.738 -0.013 0.000 1.119 222 Q HN 0.306 nan 8.270 nan 0.000 0.538 223 L N 3.431 124.644 121.223 -0.017 0.000 2.514 223 L HA 0.021 4.361 4.340 -0.000 0.000 0.280 223 L C -1.925 174.941 176.870 -0.007 0.000 1.223 223 L CA -1.178 53.651 54.840 -0.018 0.000 0.864 223 L CB -0.294 41.749 42.059 -0.025 0.000 1.118 223 L HN -0.119 nan 8.230 nan 0.000 0.494 224 P HA -0.013 nan 4.420 nan 0.000 0.266 224 P C 0.002 177.305 177.300 0.005 0.000 1.195 224 P CA -0.186 62.913 63.100 -0.001 0.000 0.768 224 P CB 0.498 32.195 31.700 -0.005 0.000 0.838 225 D N 1.648 122.054 120.400 0.010 0.000 2.116 225 D HA -0.192 4.448 4.640 -0.000 0.000 0.193 225 D C 1.097 177.410 176.300 0.021 0.000 0.998 225 D CA 1.536 55.544 54.000 0.015 0.000 0.836 225 D CB -0.426 40.383 40.800 0.015 0.000 0.951 225 D HN 0.583 nan 8.370 nan 0.000 0.449 226 D N 0.279 120.693 120.400 0.023 0.000 2.352 226 D HA -0.063 4.577 4.640 -0.000 0.000 0.232 226 D C 0.362 176.689 176.300 0.044 0.000 1.055 226 D CA 0.046 54.068 54.000 0.036 0.000 0.891 226 D CB -0.180 40.641 40.800 0.034 0.000 0.897 226 D HN -0.131 nan 8.370 nan 0.000 0.529 227 S N 0.338 116.055 115.700 0.029 0.000 2.549 227 S HA 0.070 4.540 4.470 -0.000 0.000 0.286 227 S C 1.415 176.060 174.600 0.074 0.000 1.314 227 S CA -0.611 57.602 58.200 0.020 0.000 1.062 227 S CB 0.551 63.743 63.200 -0.013 0.000 0.865 227 S HN 0.236 nan 8.310 nan 0.000 0.498 228 L N 5.379 126.666 121.223 0.108 0.000 2.275 228 L HA -0.035 4.305 4.340 -0.000 0.000 0.215 228 L C 1.977 179.041 176.870 0.325 0.000 1.119 228 L CA 0.699 55.710 54.840 0.285 0.000 0.790 228 L CB -0.322 41.952 42.059 0.358 0.000 0.919 228 L HN 0.752 nan 8.230 nan 0.000 0.443 229 I N -0.432 120.197 120.570 0.098 0.000 2.361 229 I HA -0.283 3.887 4.170 -0.000 0.000 0.251 229 I C 2.489 178.665 176.117 0.098 0.000 1.133 229 I CA 1.200 62.540 61.300 0.066 0.000 1.413 229 I CB -0.291 37.661 38.000 -0.081 0.000 1.073 229 I HN 0.243 nan 8.210 nan 0.000 0.424 230 R N 0.228 120.769 120.500 0.067 0.000 2.189 230 R HA -0.071 4.269 4.340 -0.000 0.000 0.223 230 R C 2.214 178.521 176.300 0.011 0.000 1.092 230 R CA 0.806 56.925 56.100 0.032 0.000 0.989 230 R CB -0.135 30.177 30.300 0.020 0.000 0.876 230 R HN 0.314 nan 8.270 nan 0.000 0.457 231 R N -0.895 119.627 120.500 0.036 0.000 2.254 231 R HA 0.050 4.390 4.340 -0.000 0.000 0.195 231 R C -0.105 175.923 176.300 -0.454 0.000 0.957 231 R CA 0.646 56.632 56.100 -0.190 0.000 1.024 231 R CB 0.622 30.810 30.300 -0.187 0.000 0.952 231 R HN 0.149 nan 8.270 nan 0.000 0.484 232 Y N -1.648 118.754 120.300 0.171 0.000 2.558 232 Y HA 0.292 4.842 4.550 -0.000 0.000 0.316 232 Y C -2.147 173.848 175.900 0.158 0.000 0.967 232 Y CA -2.170 56.040 58.100 0.183 0.000 1.126 232 Y CB 1.162 39.796 38.460 0.290 0.000 1.155 232 Y HN -0.040 nan 8.280 nan 0.000 0.628 233 P HA -0.243 nan 4.420 nan 0.000 0.215 233 P C 1.215 178.491 177.300 -0.040 0.000 1.163 233 P CA 2.144 65.262 63.100 0.030 0.000 0.894 233 P CB 0.383 32.063 31.700 -0.034 0.000 0.791 234 K N -0.656 119.722 120.400 -0.037 0.000 2.097 234 K HA -0.160 4.160 4.320 -0.000 0.000 0.206 234 K C 2.020 178.607 176.600 -0.022 0.000 1.049 234 K CA 1.399 57.620 56.287 -0.111 0.000 0.933 234 K CB -0.375 32.085 32.500 -0.066 0.000 0.717 234 K HN 0.149 nan 8.250 nan 0.000 0.442 235 E N 0.863 121.151 120.200 0.147 0.000 2.106 235 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 235 E C 1.901 178.724 176.600 0.372 0.000 0.984 235 E CA 1.164 57.699 56.400 0.226 0.000 0.806 235 E CB -0.195 29.645 29.700 0.233 0.000 0.750 235 E HN 0.330 nan 8.360 nan 0.000 0.458 236 A N 1.018 124.090 122.820 0.421 0.000 1.933 236 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 236 A C 2.347 179.994 177.584 0.106 0.000 1.175 236 A CA 1.748 53.938 52.037 0.256 0.000 0.628 236 A CB -0.820 18.216 19.000 0.061 0.000 0.814 236 A HN 0.286 nan 8.150 nan 0.000 0.444 237 A N -0.312 122.460 122.820 -0.080 0.000 1.865 237 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 237 A C 2.245 179.874 177.584 0.076 0.000 1.191 237 A CA 2.030 53.880 52.037 -0.311 0.000 0.623 237 A CB -1.145 17.090 19.000 -1.274 0.000 0.826 237 A HN 0.453 nan 8.150 nan 0.000 0.444 238 V N 0.038 119.979 119.914 0.044 0.000 2.255 238 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 238 V C 3.072 179.295 176.094 0.215 0.000 1.051 238 V CA 2.109 64.501 62.300 0.154 0.000 1.018 238 V CB -1.580 30.309 31.823 0.109 0.000 0.641 238 V HN 0.649 nan 8.190 nan 0.000 0.445 239 A N 0.061 123.033 122.820 0.254 0.000 1.884 239 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 239 A C 2.246 179.978 177.584 0.247 0.000 1.197 239 A CA 2.412 54.628 52.037 0.299 0.000 0.637 239 A CB -0.687 18.560 19.000 0.413 0.000 0.827 239 A HN 0.517 nan 8.150 nan 0.000 0.450 240 L N -1.130 120.227 121.223 0.223 0.000 1.976 240 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 240 L C 3.136 180.137 176.870 0.220 0.000 1.071 240 L CA 1.192 56.155 54.840 0.204 0.000 0.746 240 L CB -0.790 41.411 42.059 0.235 0.000 0.890 240 L HN 0.443 nan 8.230 nan 0.000 0.432 241 A N -0.385 122.610 122.820 0.292 0.000 1.986 241 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 241 A C 2.254 179.928 177.584 0.151 0.000 1.171 241 A CA 1.536 53.703 52.037 0.217 0.000 0.640 241 A CB -0.359 18.836 19.000 0.325 0.000 0.811 241 A HN 0.209 nan 8.150 nan 0.000 0.451 242 K N -0.334 120.161 120.400 0.159 0.000 2.283 242 K HA -0.109 4.211 4.320 -0.000 0.000 0.202 242 K C 1.812 178.500 176.600 0.147 0.000 1.048 242 K CA 1.549 57.885 56.287 0.082 0.000 0.948 242 K CB -0.123 32.396 32.500 0.030 0.000 0.742 242 K HN 0.863 nan 8.250 nan 0.000 0.458 243 R N -1.324 119.325 120.500 0.248 0.000 2.487 243 R HA 0.173 4.513 4.340 -0.000 0.000 0.272 243 R C 0.294 176.691 176.300 0.161 0.000 0.928 243 R CA -0.203 56.081 56.100 0.306 0.000 1.077 243 R CB 0.239 30.751 30.300 0.353 0.000 1.265 243 R HN -0.162 nan 8.270 nan 0.000 0.537 244 N N 0.961 119.730 118.700 0.115 0.000 2.573 244 N HA 0.142 4.882 4.740 -0.000 0.000 0.262 244 N C 0.290 175.821 175.510 0.035 0.000 1.029 244 N CA -0.100 52.988 53.050 0.064 0.000 0.882 244 N CB 1.838 40.353 38.487 0.047 0.000 1.204 244 N HN 0.284 nan 8.380 nan 0.000 0.519 245 G N 1.579 110.397 108.800 0.029 0.000 2.516 245 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.221 245 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.221 245 G C 1.158 176.045 174.900 -0.022 0.000 1.107 245 G CA 0.963 46.068 45.100 0.008 0.000 0.747 245 G HN 0.565 nan 8.290 nan 0.000 0.567 246 G N -0.206 108.578 108.800 -0.027 0.000 2.813 246 G HA2 0.247 4.207 3.960 -0.000 0.000 0.209 246 G HA3 0.247 4.207 3.960 -0.000 0.000 0.209 246 G C 0.498 175.332 174.900 -0.110 0.000 1.150 246 G CA -0.274 44.792 45.100 -0.056 0.000 0.785 246 G HN 0.405 nan 8.290 nan 0.000 0.535 247 I N 1.223 121.720 120.570 -0.121 0.000 2.330 247 I HA 0.290 4.460 4.170 -0.000 0.000 0.286 247 I C -0.711 175.201 176.117 -0.341 0.000 1.025 247 I CA -0.293 60.857 61.300 -0.251 0.000 1.197 247 I CB 1.398 39.316 38.000 -0.138 0.000 1.358 247 I HN 0.036 nan 8.210 nan 0.000 0.467 248 Q N 5.641 125.144 119.800 -0.496 0.000 2.337 248 Q HA 0.379 4.719 4.340 -0.000 0.000 0.270 248 Q C -1.740 173.922 176.000 -0.564 0.000 1.043 248 Q CA -0.721 54.847 55.803 -0.392 0.000 0.794 248 Q CB 2.445 31.075 28.738 -0.181 0.000 1.281 248 Q HN 0.463 nan 8.270 nan 0.000 0.446 249 W N 3.420 124.732 121.300 0.020 0.000 2.314 249 W HA 0.425 5.085 4.660 -0.000 0.000 0.310 249 W C 0.160 176.690 176.519 0.018 0.000 1.075 249 W CA -0.692 56.665 57.345 0.021 0.000 1.253 249 W CB 0.915 30.392 29.460 0.029 0.000 1.238 249 W HN 0.425 nan 8.180 nan 0.000 0.440 250 M N 3.878 123.597 119.600 0.198 0.000 2.248 250 M HA -0.017 4.463 4.480 -0.000 0.000 0.345 250 M C 0.254 176.635 176.300 0.135 0.000 1.243 250 M CA 0.369 55.744 55.300 0.124 0.000 1.090 250 M CB 0.462 33.114 32.600 0.086 0.000 1.683 250 M HN 0.343 nan 8.290 nan 0.000 0.450 251 D N 4.282 124.739 120.400 0.094 0.000 2.338 251 D HA 0.109 4.749 4.640 -0.000 0.000 0.255 251 D C 0.913 177.250 176.300 0.060 0.000 1.237 251 D CA -0.278 53.768 54.000 0.077 0.000 0.883 251 D CB 0.948 41.782 40.800 0.058 0.000 1.087 251 D HN 0.507 nan 8.370 nan 0.000 0.485 252 V N 3.568 123.517 119.914 0.059 0.000 2.392 252 V HA -0.253 3.867 4.120 -0.000 0.000 0.249 252 V C 2.390 178.504 176.094 0.034 0.000 1.059 252 V CA 1.766 64.094 62.300 0.046 0.000 1.051 252 V CB -0.689 31.158 31.823 0.040 0.000 0.658 252 V HN 0.501 nan 8.190 nan 0.000 0.455 253 S N 0.362 116.081 115.700 0.032 0.000 2.363 253 S HA -0.207 4.263 4.470 -0.000 0.000 0.218 253 S C 1.623 176.236 174.600 0.023 0.000 1.035 253 S CA 1.817 60.032 58.200 0.024 0.000 1.043 253 S CB -0.303 62.910 63.200 0.022 0.000 0.986 253 S HN 0.675 nan 8.310 nan 0.000 0.423 254 E N 0.246 120.461 120.200 0.025 0.000 2.437 254 E HA 0.365 4.715 4.350 -0.000 0.000 0.195 254 E C 0.971 177.585 176.600 0.023 0.000 1.029 254 E CA 0.250 56.663 56.400 0.021 0.000 0.948 254 E CB -0.172 29.540 29.700 0.019 0.000 1.082 254 E HN 0.491 nan 8.360 nan 0.000 0.456 255 G N 1.557 110.373 108.800 0.027 0.000 2.280 255 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.282 255 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.282 255 G C 0.610 175.525 174.900 0.025 0.000 1.000 255 G CA 1.145 46.261 45.100 0.026 0.000 0.751 255 G HN 0.427 nan 8.290 nan 0.000 0.515 256 T N -2.468 112.103 114.554 0.028 0.000 2.909 256 T HA 0.670 5.020 4.350 -0.000 0.000 0.289 256 T C -0.238 174.480 174.700 0.030 0.000 1.005 256 T CA -0.362 61.752 62.100 0.024 0.000 1.084 256 T CB 2.869 71.751 68.868 0.024 0.000 0.975 256 T HN 0.849 nan 8.240 nan 0.000 0.509 257 V N 3.964 123.890 119.914 0.020 0.000 2.777 257 V HA 0.718 4.838 4.120 -0.000 0.000 0.306 257 V C -0.303 175.793 176.094 0.003 0.000 1.112 257 V CA -0.937 61.372 62.300 0.015 0.000 0.917 257 V CB 1.336 33.158 31.823 -0.003 0.000 1.018 257 V HN 1.232 nan 8.190 nan 0.000 0.426 258 M N 1.599 121.202 119.600 0.005 0.000 2.833 258 M HA 0.588 5.068 4.480 -0.000 0.000 0.270 258 M C -1.007 175.292 176.300 -0.001 0.000 1.209 258 M CA -0.684 54.615 55.300 -0.001 0.000 0.826 258 M CB 1.889 34.493 32.600 0.006 0.000 1.657 258 M HN 0.422 nan 8.290 nan 0.000 0.492 259 N N 1.595 120.292 118.700 -0.005 0.000 2.414 259 N HA -0.001 4.739 4.740 -0.000 0.000 0.268 259 N C -0.392 175.126 175.510 0.014 0.000 1.286 259 N CA 0.654 53.703 53.050 -0.001 0.000 0.896 259 N CB 0.631 39.118 38.487 -0.001 0.000 1.093 259 N HN 0.687 nan 8.380 nan 0.000 0.480 260 E N 1.618 121.834 120.200 0.027 0.000 2.498 260 E HA 0.122 4.472 4.350 -0.000 0.000 0.203 260 E C 0.135 176.750 176.600 0.026 0.000 1.013 260 E CA -0.198 56.224 56.400 0.037 0.000 0.927 260 E CB 0.320 30.066 29.700 0.075 0.000 1.012 260 E HN 0.629 nan 8.360 nan 0.000 0.482 261 A N 1.368 124.206 122.820 0.030 0.000 2.483 261 A HA 0.157 4.477 4.320 -0.000 0.000 0.238 261 A C 1.206 178.796 177.584 0.010 0.000 1.070 261 A CA 0.204 52.263 52.037 0.037 0.000 0.770 261 A CB 0.391 19.423 19.000 0.053 0.000 1.008 261 A HN 0.092 nan 8.150 nan 0.000 0.497 262 V N -0.773 119.138 119.914 -0.005 0.000 3.319 262 V HA 0.218 4.338 4.120 -0.000 0.000 0.317 262 V C 0.269 176.392 176.094 0.047 0.000 1.411 262 V CA 0.591 62.872 62.300 -0.031 0.000 1.112 262 V CB -0.964 30.755 31.823 -0.174 0.000 1.031 262 V HN 0.882 nan 8.190 nan 0.000 0.448 263 N N 0.312 119.067 118.700 0.092 0.000 2.416 263 N HA 0.467 5.207 4.740 -0.000 0.000 0.267 263 N C 1.085 176.635 175.510 0.067 0.000 1.294 263 N CA 0.311 53.428 53.050 0.110 0.000 0.891 263 N CB 0.733 39.320 38.487 0.166 0.000 1.238 263 N HN 0.295 nan 8.380 nan 0.000 0.508 264 A N 0.288 123.136 122.820 0.046 0.000 1.908 264 A HA -0.108 4.212 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 1.870 53.927 52.037 0.033 0.000 0.627 264 A CB -0.819 18.195 19.000 0.023 0.000 0.818 264 A HN 0.160 nan 8.150 nan 0.000 0.445 265 V N -0.064 119.867 119.914 0.030 0.000 2.287 265 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 265 V C 3.043 179.152 176.094 0.025 0.000 1.053 265 V CA 2.084 64.398 62.300 0.025 0.000 1.027 265 V CB -1.526 30.312 31.823 0.025 0.000 0.646 265 V HN 0.633 nan 8.190 nan 0.000 0.447 266 A N 0.320 123.160 122.820 0.033 0.000 1.865 266 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 266 A C 2.441 180.038 177.584 0.022 0.000 1.191 266 A CA 2.368 54.422 52.037 0.028 0.000 0.623 266 A CB -1.045 17.977 19.000 0.037 0.000 0.826 266 A HN 0.634 nan 8.150 nan 0.000 0.444 267 A N 0.293 123.129 122.820 0.027 0.000 2.024 267 A HA -0.105 4.215 4.320 -0.000 0.000 0.220 267 A C 2.417 180.010 177.584 0.015 0.000 1.164 267 A CA 2.301 54.350 52.037 0.021 0.000 0.643 267 A CB -0.996 18.020 19.000 0.025 0.000 0.806 267 A HN 1.115 nan 8.150 nan 0.000 0.451 268 S N -0.218 115.491 115.700 0.015 0.000 2.419 268 S HA 0.087 4.557 4.470 -0.000 0.000 0.233 268 S C 1.830 176.435 174.600 0.009 0.000 1.016 268 S CA 1.169 59.376 58.200 0.012 0.000 0.974 268 S CB -0.438 62.769 63.200 0.012 0.000 0.786 268 S HN 0.892 nan 8.310 nan 0.000 0.492 269 A N 0.980 123.805 122.820 0.009 0.000 2.132 269 A HA 0.470 4.790 4.320 -0.000 0.000 0.213 269 A C 1.936 179.522 177.584 0.004 0.000 1.154 269 A CA 0.311 52.351 52.037 0.006 0.000 0.753 269 A CB -0.391 18.613 19.000 0.005 0.000 0.826 269 A HN 0.562 nan 8.150 nan 0.000 0.469 270 L N -0.867 120.359 121.223 0.004 0.000 2.607 270 L HA 0.337 4.677 4.340 -0.000 0.000 0.228 270 L C 0.916 177.788 176.870 0.003 0.000 1.123 270 L CA 0.032 54.873 54.840 0.002 0.000 0.890 270 L CB -0.080 41.980 42.059 0.002 0.000 1.103 270 L HN 0.324 nan 8.230 nan 0.000 0.468 271 A N 0.395 123.218 122.820 0.005 0.000 2.320 271 A HA 0.764 5.084 4.320 -0.000 0.000 0.334 271 A C -2.541 175.045 177.584 0.004 0.000 1.147 271 A CA -1.462 50.579 52.037 0.006 0.000 0.820 271 A CB 0.695 19.700 19.000 0.007 0.000 1.218 271 A HN -0.140 nan 8.150 nan 0.000 0.482 272 P HA 0.343 nan 4.420 nan 0.000 0.281 272 P C -0.088 177.214 177.300 0.004 0.000 1.249 272 P CA -0.265 62.838 63.100 0.003 0.000 0.810 272 P CB 1.329 33.031 31.700 0.004 0.000 1.008 273 S N 0.559 116.261 115.700 0.004 0.000 2.738 273 S HA 0.560 5.030 4.470 -0.000 0.000 0.284 273 S C 1.423 176.025 174.600 0.004 0.000 1.146 273 S CA -0.068 58.135 58.200 0.004 0.000 0.997 273 S CB 0.589 63.791 63.200 0.004 0.000 1.081 273 S HN 0.393 nan 8.310 nan 0.000 0.553 274 A N 0.749 123.572 122.820 0.004 0.000 2.084 274 A HA -0.002 4.318 4.320 -0.000 0.000 0.221 274 A C 1.738 179.324 177.584 0.003 0.000 1.161 274 A CA 1.883 53.922 52.037 0.004 0.000 0.653 274 A CB -1.064 17.939 19.000 0.004 0.000 0.802 274 A HN 1.594 nan 8.150 nan 0.000 0.457 275 S N -3.643 112.058 115.700 0.003 0.000 3.067 275 S HA 0.661 5.131 4.470 -0.000 0.000 0.253 275 S C -0.039 174.562 174.600 0.001 0.000 0.942 275 S CA 0.253 58.454 58.200 0.002 0.000 1.197 275 S CB -0.278 62.923 63.200 0.002 0.000 1.143 275 S HN 1.330 nan 8.310 nan 0.000 0.638 276 A N 1.585 124.406 122.820 0.001 0.000 2.449 276 A HA 0.914 5.234 4.320 -0.000 0.000 0.302 276 A C -3.358 174.226 177.584 -0.000 0.000 1.048 276 A CA -1.850 50.187 52.037 0.000 0.000 0.708 276 A CB 1.118 20.119 19.000 0.001 0.000 1.274 276 A HN 0.176 nan 8.150 nan 0.000 0.410 277 P HA 0.387 nan 4.420 nan 0.000 0.274 277 P C -2.591 174.708 177.300 -0.002 0.000 1.256 277 P CA -1.177 61.921 63.100 -0.003 0.000 0.795 277 P CB -0.197 31.500 31.700 -0.006 0.000 1.038 278 P HA 0.013 nan 4.420 nan 0.000 0.265 278 P C 0.778 178.077 177.300 -0.001 0.000 1.187 278 P CA 0.505 63.604 63.100 -0.001 0.000 0.766 278 P CB 0.228 31.927 31.700 -0.002 0.000 0.820 279 L N 1.787 123.010 121.223 0.000 0.000 2.093 279 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 279 L C 2.318 179.188 176.870 -0.001 0.000 1.085 279 L CA 1.461 56.301 54.840 0.001 0.000 0.755 279 L CB -0.515 41.545 42.059 0.002 0.000 0.904 279 L HN 0.517 nan 8.230 nan 0.000 0.435 280 E N 0.467 120.667 120.200 -0.001 0.000 2.110 280 E HA -0.281 4.069 4.350 -0.000 0.000 0.193 280 E C 1.929 178.526 176.600 -0.005 0.000 0.988 280 E CA 1.477 57.876 56.400 -0.003 0.000 0.804 280 E CB 0.146 29.843 29.700 -0.004 0.000 0.745 280 E HN 0.547 nan 8.360 nan 0.000 0.458 281 E N 0.487 120.683 120.200 -0.006 0.000 2.028 281 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 281 E C 2.117 178.713 176.600 -0.007 0.000 0.988 281 E CA 1.080 57.475 56.400 -0.008 0.000 0.799 281 E CB 0.085 29.779 29.700 -0.010 0.000 0.755 281 E HN 0.109 nan 8.360 nan 0.000 0.447 282 K N 0.264 120.660 120.400 -0.005 0.000 2.063 282 K HA -0.155 4.165 4.320 -0.000 0.000 0.208 282 K C 2.429 179.027 176.600 -0.003 0.000 1.048 282 K CA 1.351 57.636 56.287 -0.004 0.000 0.928 282 K CB -0.267 32.231 32.500 -0.002 0.000 0.713 282 K HN 0.026 nan 8.250 nan 0.000 0.442 283 S N 1.155 116.853 115.700 -0.002 0.000 2.345 283 S HA -0.187 4.283 4.470 -0.000 0.000 0.220 283 S C 1.994 176.593 174.600 -0.003 0.000 1.031 283 S CA 1.652 59.851 58.200 -0.001 0.000 0.996 283 S CB -0.086 63.113 63.200 -0.000 0.000 0.882 283 S HN 0.156 nan 8.310 nan 0.000 0.445 284 K N 1.047 121.444 120.400 -0.005 0.000 1.991 284 K HA -0.001 4.319 4.320 -0.000 0.000 0.212 284 K C 2.115 178.711 176.600 -0.007 0.000 1.049 284 K CA 1.832 58.115 56.287 -0.007 0.000 0.932 284 K CB -0.750 31.744 32.500 -0.010 0.000 0.717 284 K HN 0.439 nan 8.250 nan 0.000 0.441 285 L N 0.135 121.354 121.223 -0.008 0.000 2.013 285 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 285 L C 2.345 179.212 176.870 -0.005 0.000 1.073 285 L CA 2.008 56.843 54.840 -0.008 0.000 0.753 285 L CB -0.891 41.162 42.059 -0.009 0.000 0.890 285 L HN 0.339 nan 8.230 nan 0.000 0.432 286 T N -1.245 113.308 114.554 -0.003 0.000 2.833 286 T HA -0.225 4.125 4.350 -0.000 0.000 0.269 286 T C 1.783 176.483 174.700 -0.000 0.000 1.054 286 T CA 1.355 63.454 62.100 -0.001 0.000 1.135 286 T CB -0.118 68.750 68.868 0.000 0.000 0.869 286 T HN 0.384 nan 8.240 nan 0.000 0.466 287 E N 0.918 121.117 120.200 -0.001 0.000 2.106 287 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 287 E C 2.174 178.773 176.600 -0.002 0.000 0.984 287 E CA 0.821 57.220 56.400 -0.001 0.000 0.806 287 E CB 0.014 29.713 29.700 -0.002 0.000 0.750 287 E HN 0.565 nan 8.360 nan 0.000 0.458 288 Q N -0.368 119.430 119.800 -0.004 0.000 2.291 288 Q HA -0.070 4.270 4.340 -0.000 0.000 0.205 288 Q C 1.992 177.991 176.000 -0.002 0.000 0.970 288 Q CA 0.929 56.729 55.803 -0.005 0.000 0.876 288 Q CB 0.082 28.815 28.738 -0.009 0.000 0.935 288 Q HN 0.263 nan 8.270 nan 0.000 0.455 289 A N 0.790 123.611 122.820 0.000 0.000 1.898 289 A HA -0.079 4.241 4.320 -0.000 0.000 0.214 289 A C 2.037 179.625 177.584 0.007 0.000 1.183 289 A CA 0.830 52.870 52.037 0.005 0.000 0.622 289 A CB -0.275 18.729 19.000 0.007 0.000 0.824 289 A HN 0.228 nan 8.150 nan 0.000 0.444 290 M N -0.341 119.261 119.600 0.004 0.000 2.229 290 M HA -0.114 4.366 4.480 -0.000 0.000 0.264 290 M C 1.164 177.466 176.300 0.003 0.000 1.063 290 M CA 1.271 56.573 55.300 0.004 0.000 1.114 290 M CB -0.585 32.016 32.600 0.002 0.000 1.387 290 M HN 0.289 nan 8.290 nan 0.000 0.420 291 D N 0.817 121.218 120.400 0.001 0.000 2.178 291 D HA -0.064 4.576 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 1.084 55.084 54.000 -0.000 0.000 0.841 291 D CB -0.169 40.630 40.800 -0.003 0.000 0.953 291 D HN 0.341 nan 8.370 nan 0.000 0.478 292 L N 0.344 121.570 121.223 0.005 0.000 2.027 292 L HA -0.137 4.203 4.340 -0.000 0.000 0.206 292 L C 2.501 179.383 176.870 0.019 0.000 1.074 292 L CA 0.618 55.464 54.840 0.010 0.000 0.745 292 L CB -0.194 41.872 42.059 0.012 0.000 0.898 292 L HN -0.068 nan 8.230 nan 0.000 0.433 293 V N -0.794 119.132 119.914 0.019 0.000 2.407 293 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 293 V C 2.493 178.596 176.094 0.015 0.000 1.055 293 V CA 2.243 64.556 62.300 0.022 0.000 1.049 293 V CB -0.727 31.103 31.823 0.012 0.000 0.662 293 V HN 0.478 nan 8.190 nan 0.000 0.455 294 T N 0.398 114.957 114.554 0.008 0.000 2.821 294 T HA -0.099 4.251 4.350 -0.000 0.000 0.267 294 T C 2.010 176.713 174.700 0.005 0.000 1.046 294 T CA 1.509 63.612 62.100 0.005 0.000 1.139 294 T CB -0.342 68.527 68.868 0.002 0.000 0.871 294 T HN 0.564 nan 8.240 nan 0.000 0.454 295 A N 1.020 123.842 122.820 0.004 0.000 2.067 295 A HA 0.321 4.641 4.320 -0.000 0.000 0.219 295 A C 2.496 180.081 177.584 0.001 0.000 1.158 295 A CA 1.456 53.492 52.037 -0.001 0.000 0.661 295 A CB -0.695 18.302 19.000 -0.005 0.000 0.801 295 A HN 0.487 nan 8.150 nan 0.000 0.452 296 A N -1.003 121.827 122.820 0.017 0.000 1.970 296 A HA 0.177 4.497 4.320 -0.000 0.000 0.216 296 A C 0.687 178.292 177.584 0.036 0.000 1.170 296 A CA 0.890 52.947 52.037 0.034 0.000 0.645 296 A CB -0.259 18.785 19.000 0.073 0.000 0.816 296 A HN 0.559 nan 8.150 nan 0.000 0.447 297 E N -1.948 118.269 120.200 0.029 0.000 2.807 297 E HA -0.136 4.214 4.350 -0.000 0.000 0.169 297 E C -2.084 174.543 176.600 0.046 0.000 1.548 297 E CA 0.201 56.619 56.400 0.031 0.000 0.697 297 E CB -1.227 28.490 29.700 0.029 0.000 1.106 297 E HN 0.363 nan 8.360 nan 0.000 0.382 298 P HA -0.223 nan 4.420 nan 0.000 0.216 298 P C 1.023 178.325 177.300 0.004 0.000 1.154 298 P CA 1.355 64.449 63.100 -0.010 0.000 0.865 298 P CB 0.247 31.922 31.700 -0.042 0.000 0.789 299 E N -1.336 118.874 120.200 0.016 0.000 2.204 299 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 299 E C 1.887 178.527 176.600 0.067 0.000 0.989 299 E CA 0.812 57.228 56.400 0.027 0.000 0.824 299 E CB -0.707 29.006 29.700 0.022 0.000 0.756 299 E HN 0.210 nan 8.360 nan 0.000 0.477 300 I N 0.488 121.117 120.570 0.097 0.000 2.296 300 I HA -0.101 4.069 4.170 -0.000 0.000 0.242 300 I C 2.239 178.503 176.117 0.245 0.000 1.087 300 I CA 0.829 62.228 61.300 0.164 0.000 1.393 300 I CB -1.063 37.036 38.000 0.165 0.000 1.093 300 I HN 0.163 nan 8.210 nan 0.000 0.421 301 I N -1.037 119.684 120.570 0.253 0.000 3.176 301 I HA 0.058 4.228 4.170 -0.000 0.000 0.275 301 I C 1.703 178.089 176.117 0.447 0.000 1.298 301 I CA 0.929 62.464 61.300 0.391 0.000 1.445 301 I CB -0.440 37.822 38.000 0.436 0.000 1.075 301 I HN 0.055 nan 8.210 nan 0.000 0.482 302 A N 0.468 123.418 122.820 0.217 0.000 2.508 302 A HA 0.293 4.613 4.320 -0.000 0.000 0.257 302 A C 0.997 178.638 177.584 0.095 0.000 1.226 302 A CA -0.180 51.924 52.037 0.111 0.000 0.947 302 A CB -0.033 18.888 19.000 -0.132 0.000 1.079 302 A HN 0.349 nan 8.150 nan 0.000 0.531 303 S N -0.288 115.480 115.700 0.114 0.000 2.560 303 S HA 0.289 4.759 4.470 -0.000 0.000 0.284 303 S C 0.736 175.373 174.600 0.063 0.000 1.327 303 S CA -0.105 58.139 58.200 0.074 0.000 1.055 303 S CB 0.252 63.497 63.200 0.076 0.000 0.868 303 S HN 0.309 nan 8.310 nan 0.000 0.506 304 L N 5.133 126.379 121.223 0.039 0.000 2.616 304 L HA 0.288 4.627 4.340 -0.000 0.000 0.229 304 L C 0.253 177.133 176.870 0.016 0.000 1.110 304 L CA 0.009 54.868 54.840 0.031 0.000 0.884 304 L CB 0.309 42.383 42.059 0.026 0.000 1.115 304 L HN 0.619 nan 8.230 nan 0.000 0.481 305 V N -5.001 114.921 119.914 0.013 0.000 3.096 305 V HA 0.694 4.814 4.120 -0.000 0.000 0.319 305 V C -2.555 173.536 176.094 -0.006 0.000 1.103 305 V CA -2.708 59.594 62.300 0.004 0.000 1.016 305 V CB 1.069 32.897 31.823 0.008 0.000 1.090 305 V HN -0.177 nan 8.190 nan 0.000 0.449 306 P HA 0.279 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 0.174 63.258 63.100 -0.026 0.000 0.768 306 P CB 0.648 32.337 31.700 -0.019 0.000 0.838 307 V N 5.724 125.620 119.914 -0.029 0.000 2.483 307 V HA 0.312 4.432 4.120 -0.000 0.000 0.297 307 V C -2.268 173.841 176.094 0.025 0.000 1.027 307 V CA -2.254 60.057 62.300 0.018 0.000 0.855 307 V CB 1.862 33.722 31.823 0.061 0.000 0.995 307 V HN 0.464 nan 8.190 nan 0.000 0.424 308 P HA 0.020 nan 4.420 nan 0.000 0.261 308 P C 0.792 178.144 177.300 0.087 0.000 1.173 308 P CA 0.481 63.611 63.100 0.049 0.000 0.760 308 P CB 0.754 32.481 31.700 0.046 0.000 0.783 309 A N 6.785 129.648 122.820 0.073 0.000 1.884 309 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 309 A C -0.378 177.282 177.584 0.127 0.000 1.197 309 A CA 2.097 54.201 52.037 0.113 0.000 0.637 309 A CB -2.497 16.547 19.000 0.073 0.000 0.827 309 A HN 0.482 nan 8.150 nan 0.000 0.450 310 P HA -0.121 nan 4.420 nan 0.000 0.216 310 P C 1.565 178.903 177.300 0.064 0.000 1.153 310 P CA 1.573 64.707 63.100 0.056 0.000 0.858 310 P CB -0.135 31.586 31.700 0.035 0.000 0.789 311 V N -1.485 118.480 119.914 0.085 0.000 2.453 311 V HA -0.201 3.919 4.120 -0.000 0.000 0.247 311 V C 2.134 178.300 176.094 0.121 0.000 1.048 311 V CA 1.526 63.877 62.300 0.086 0.000 1.049 311 V CB -1.218 30.659 31.823 0.090 0.000 0.672 311 V HN 0.027 nan 8.190 nan 0.000 0.457 312 F N 1.402 121.360 119.950 0.014 0.000 2.163 312 F HA 0.326 4.853 4.527 -0.000 0.000 0.297 312 F C 1.660 177.467 175.800 0.012 0.000 1.094 312 F CA 0.105 58.115 58.000 0.018 0.000 1.290 312 F CB -0.481 38.532 39.000 0.020 0.000 1.017 312 F HN 0.070 nan 8.300 nan 0.000 0.483 313 A N 1.189 124.020 122.820 0.018 0.000 2.492 313 A HA 0.417 4.737 4.320 -0.000 0.000 0.236 313 A C 0.003 177.508 177.584 -0.132 0.000 1.078 313 A CA 0.432 52.422 52.037 -0.078 0.000 0.773 313 A CB -0.511 18.505 19.000 0.026 0.000 1.023 313 A HN 0.520 nan 8.150 nan 0.000 0.504 314 I N -2.732 117.761 120.570 -0.130 0.000 3.191 314 I HA 0.601 4.771 4.170 -0.000 0.000 0.313 314 I C -2.911 173.162 176.117 -0.075 0.000 1.193 314 I CA -2.965 58.272 61.300 -0.106 0.000 0.968 314 I CB 1.783 39.703 38.000 -0.134 0.000 1.262 314 I HN 0.267 nan 8.210 nan 0.000 0.456 315 P HA 0.144 nan 4.420 nan 0.000 0.257 315 P C -2.303 174.965 177.300 -0.053 0.000 1.189 315 P CA -0.121 62.949 63.100 -0.050 0.000 0.780 315 P CB -0.281 31.392 31.700 -0.045 0.000 0.772 316 P HA 0.277 nan 4.420 nan 0.000 0.276 316 P C -0.622 176.649 177.300 -0.048 0.000 1.261 316 P CA -0.285 62.785 63.100 -0.049 0.000 0.800 316 P CB 1.459 33.132 31.700 -0.045 0.000 1.066 317 K N 0.289 120.660 120.400 -0.049 0.000 2.395 317 K HA 0.577 4.897 4.320 -0.000 0.000 0.247 317 K C -2.407 174.162 176.600 -0.051 0.000 0.973 317 K CA -1.891 54.367 56.287 -0.048 0.000 0.828 317 K CB 1.153 33.624 32.500 -0.050 0.000 1.272 317 K HN 0.300 nan 8.250 nan 0.000 0.439 318 P HA 0.223 nan 4.420 nan 0.000 0.274 318 P C -1.517 175.740 177.300 -0.070 0.000 1.256 318 P CA -0.487 62.582 63.100 -0.053 0.000 0.795 318 P CB 0.811 32.487 31.700 -0.041 0.000 1.038 319 A N 0.580 123.350 122.820 -0.084 0.000 2.498 319 A HA 0.617 4.937 4.320 -0.000 0.000 0.298 319 A C -1.412 175.979 177.584 -0.321 0.000 1.075 319 A CA -0.494 51.413 52.037 -0.217 0.000 0.714 319 A CB 1.114 19.979 19.000 -0.226 0.000 1.299 319 A HN 0.399 nan 8.150 nan 0.000 0.407 320 D N 0.047 120.164 120.400 -0.473 0.000 2.252 320 D HA 0.726 5.366 4.640 -0.000 0.000 0.245 320 D C -1.292 174.669 176.300 -0.564 0.000 1.009 320 D CA 0.579 54.385 54.000 -0.324 0.000 0.870 320 D CB 1.316 42.041 40.800 -0.124 0.000 1.251 320 D HN 0.388 nan 8.370 nan 0.000 0.460 321 Y N -0.218 120.161 120.300 0.131 0.000 2.625 321 Y HA 0.340 4.890 4.550 -0.000 0.000 0.338 321 Y C 0.000 175.997 175.900 0.161 0.000 1.123 321 Y CA -1.123 57.070 58.100 0.155 0.000 1.046 321 Y CB 1.443 40.049 38.460 0.244 0.000 1.299 321 Y HN 0.129 nan 8.280 nan 0.000 0.464 322 N N 0.866 119.748 118.700 0.304 0.000 2.746 322 N HA 0.177 4.917 4.740 -0.000 0.000 0.250 322 N C 0.286 175.901 175.510 0.175 0.000 1.146 322 N CA -0.013 53.176 53.050 0.231 0.000 0.828 322 N CB 1.322 39.902 38.487 0.155 0.000 1.158 322 N HN 0.588 nan 8.380 nan 0.000 0.519 323 V N 2.569 122.586 119.914 0.172 0.000 2.418 323 V HA -0.305 3.815 4.120 -0.000 0.000 0.258 323 V C 2.473 178.520 176.094 -0.079 0.000 1.088 323 V CA 2.132 64.391 62.300 -0.069 0.000 1.091 323 V CB -0.495 31.105 31.823 -0.371 0.000 0.669 323 V HN 0.563 nan 8.190 nan 0.000 0.461 324 R N 0.944 121.484 120.500 0.067 0.000 2.115 324 R HA -0.098 4.242 4.340 -0.000 0.000 0.226 324 R C 2.123 178.425 176.300 0.003 0.000 1.100 324 R CA 1.761 57.892 56.100 0.052 0.000 0.980 324 R CB -0.526 29.845 30.300 0.118 0.000 0.875 324 R HN 0.670 nan 8.270 nan 0.000 0.445 325 T N -2.266 112.297 114.554 0.015 0.000 3.086 325 T HA 0.281 4.631 4.350 -0.000 0.000 0.250 325 T C 0.589 175.273 174.700 -0.025 0.000 1.074 325 T CA -0.320 61.780 62.100 0.000 0.000 0.988 325 T CB -0.096 68.786 68.868 0.023 0.000 0.988 325 T HN 0.011 nan 8.240 nan 0.000 0.530 326 L N 1.482 122.666 121.223 -0.065 0.000 2.453 326 L HA 0.406 4.746 4.340 -0.000 0.000 0.261 326 L C 0.455 177.238 176.870 -0.144 0.000 1.179 326 L CA -0.807 53.964 54.840 -0.116 0.000 0.813 326 L CB 0.640 42.556 42.059 -0.238 0.000 1.110 326 L HN -0.013 nan 8.230 nan 0.000 0.466 327 K N 3.222 123.537 120.400 -0.142 0.000 2.234 327 K HA 0.216 4.536 4.320 -0.000 0.000 0.277 327 K C 0.837 177.322 176.600 -0.192 0.000 1.038 327 K CA -0.274 55.934 56.287 -0.133 0.000 0.888 327 K CB 1.665 34.110 32.500 -0.093 0.000 1.091 327 K HN 0.585 nan 8.250 nan 0.000 0.467 328 I N -0.813 119.641 120.570 -0.192 0.000 2.916 328 I HA -0.198 3.972 4.170 -0.000 0.000 0.267 328 I C 0.603 176.609 176.117 -0.184 0.000 1.263 328 I CA 1.270 62.434 61.300 -0.226 0.000 1.471 328 I CB -0.274 37.612 38.000 -0.190 0.000 1.089 328 I HN 0.398 nan 8.210 nan 0.000 0.468 329 D N 0.123 120.440 120.400 -0.138 0.000 2.339 329 D HA -0.014 4.626 4.640 -0.000 0.000 0.217 329 D C 1.467 177.702 176.300 -0.108 0.000 1.050 329 D CA 0.235 54.170 54.000 -0.108 0.000 0.856 329 D CB 0.234 40.986 40.800 -0.080 0.000 0.922 329 D HN 0.536 nan 8.370 nan 0.000 0.518 330 E N -0.241 119.877 120.200 -0.137 0.000 2.354 330 E HA 0.321 4.671 4.350 -0.000 0.000 0.203 330 E C 0.226 176.729 176.600 -0.162 0.000 0.841 330 E CA 0.061 56.391 56.400 -0.117 0.000 1.046 330 E CB 0.625 30.272 29.700 -0.088 0.000 1.040 330 E HN 0.194 nan 8.360 nan 0.000 0.504 331 A N 1.672 124.307 122.820 -0.308 0.000 2.478 331 A HA 0.190 4.510 4.320 -0.000 0.000 0.327 331 A C 0.908 178.148 177.584 -0.574 0.000 1.431 331 A CA -0.341 51.344 52.037 -0.585 0.000 1.014 331 A CB -0.317 18.067 19.000 -1.026 0.000 1.143 331 A HN 0.219 nan 8.150 nan 0.000 0.532 332 T N -0.654 113.733 114.554 -0.278 0.000 3.155 332 T HA -0.092 4.258 4.350 -0.000 0.000 0.264 332 T C 0.779 175.448 174.700 -0.052 0.000 1.160 332 T CA 0.906 62.929 62.100 -0.128 0.000 1.075 332 T CB -0.502 68.361 68.868 -0.008 0.000 0.921 332 T HN 0.866 nan 8.240 nan 0.000 0.533 333 W N 0.827 122.066 121.300 -0.102 0.000 3.223 333 W HA 0.578 5.238 4.660 -0.000 0.000 0.389 333 W C -0.654 175.765 176.519 -0.166 0.000 1.118 333 W CA -1.169 56.108 57.345 -0.114 0.000 1.902 333 W CB -0.633 28.755 29.460 -0.119 0.000 1.094 333 W HN 0.166 nan 8.180 nan 0.000 0.666 334 L N 2.284 123.318 121.223 -0.315 0.000 2.354 334 L HA 0.670 5.010 4.340 -0.000 0.000 0.269 334 L C 0.078 176.786 176.870 -0.270 0.000 1.005 334 L CA -0.897 53.728 54.840 -0.358 0.000 0.819 334 L CB 1.850 43.572 42.059 -0.561 0.000 1.311 334 L HN -0.324 nan 8.230 nan 0.000 0.423 335 R N 2.834 123.158 120.500 -0.292 0.000 2.807 335 R HA 0.737 5.077 4.340 -0.000 0.000 0.276 335 R C -1.157 175.076 176.300 -0.111 0.000 0.979 335 R CA -0.737 55.237 56.100 -0.211 0.000 0.928 335 R CB 2.697 32.812 30.300 -0.308 0.000 1.191 335 R HN 0.665 nan 8.270 nan 0.000 0.471 336 M N 1.938 121.543 119.600 0.010 0.000 2.421 336 M HA 0.452 4.932 4.480 -0.000 0.000 0.287 336 M C -1.363 174.913 176.300 -0.041 0.000 1.183 336 M CA -0.620 54.712 55.300 0.054 0.000 0.916 336 M CB 2.191 34.767 32.600 -0.040 0.000 1.701 336 M HN 0.547 nan 8.290 nan 0.000 0.470 337 I N 5.584 126.104 120.570 -0.084 0.000 2.379 337 I HA 0.272 4.442 4.170 -0.000 0.000 0.290 337 I C -2.077 173.987 176.117 -0.087 0.000 1.063 337 I CA -1.719 59.457 61.300 -0.207 0.000 1.351 337 I CB 0.852 38.713 38.000 -0.231 0.000 1.410 337 I HN 0.445 nan 8.210 nan 0.000 0.505 338 P HA 0.027 nan 4.420 nan 0.000 0.264 338 P C -0.496 176.786 177.300 -0.030 0.000 1.193 338 P CA 0.126 63.196 63.100 -0.050 0.000 0.763 338 P CB 0.478 32.148 31.700 -0.051 0.000 0.810 339 K N 1.416 121.803 120.400 -0.022 0.000 2.155 339 K HA 0.255 4.575 4.320 -0.000 0.000 0.237 339 K C 0.640 177.233 176.600 -0.011 0.000 1.040 339 K CA -0.130 56.151 56.287 -0.011 0.000 0.912 339 K CB 0.024 32.518 32.500 -0.009 0.000 1.137 339 K HN 0.457 nan 8.250 nan 0.000 0.498 340 T N -0.213 114.338 114.554 -0.006 0.000 5.888 340 T HA -0.116 4.234 4.350 -0.000 0.000 0.275 340 T C 0.431 175.128 174.700 -0.005 0.000 2.123 340 T CA 1.239 63.336 62.100 -0.006 0.000 3.523 340 T CB -0.676 68.187 68.868 -0.010 0.000 1.240 340 T HN 0.494 nan 8.240 nan 0.000 1.133 341 M N -0.485 119.113 119.600 -0.002 0.000 2.313 341 M HA 0.403 4.883 4.480 -0.000 0.000 0.273 341 M C 1.847 178.152 176.300 0.009 0.000 1.049 341 M CA 1.038 56.337 55.300 -0.001 0.000 1.004 341 M CB -0.451 32.146 32.600 -0.005 0.000 1.461 341 M HN 0.608 nan 8.290 nan 0.000 0.514 342 G N 1.792 110.600 108.800 0.014 0.000 2.203 342 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.263 342 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.263 342 G C 0.198 175.123 174.900 0.042 0.000 1.012 342 G CA 0.681 45.794 45.100 0.022 0.000 0.749 342 G HN 0.415 nan 8.290 nan 0.000 0.512 343 T N 0.162 114.747 114.554 0.052 0.000 2.870 343 T HA 0.502 4.852 4.350 -0.000 0.000 0.300 343 T C -0.116 174.667 174.700 0.138 0.000 0.989 343 T CA 0.846 63.008 62.100 0.104 0.000 1.139 343 T CB 1.623 70.553 68.868 0.104 0.000 0.920 343 T HN 1.209 nan 8.240 nan 0.000 0.537 344 L N 5.105 126.464 121.223 0.226 0.000 2.847 344 L HA 0.590 4.930 4.340 -0.000 0.000 0.261 344 L C -1.987 175.064 176.870 0.301 0.000 0.926 344 L CA -0.657 54.285 54.840 0.171 0.000 1.010 344 L CB 0.994 43.101 42.059 0.080 0.000 1.538 344 L HN 0.707 nan 8.230 nan 0.000 0.465 345 F N 1.594 121.559 119.950 0.025 0.000 2.622 345 F HA 0.680 5.207 4.527 -0.000 0.000 0.318 345 F C -1.017 174.792 175.800 0.014 0.000 1.135 345 F CA -0.754 57.253 58.000 0.012 0.000 1.015 345 F CB 1.432 40.430 39.000 -0.003 0.000 1.275 345 F HN 0.539 nan 8.300 nan 0.000 0.457 346 Q N 4.719 124.564 119.800 0.075 0.000 2.261 346 Q HA 0.701 5.040 4.340 -0.000 0.000 0.252 346 Q C -0.265 175.724 176.000 -0.019 0.000 0.915 346 Q CA -0.780 55.014 55.803 -0.014 0.000 0.915 346 Q CB 2.514 31.277 28.738 0.041 0.000 1.204 346 Q HN 0.810 nan 8.270 nan 0.000 0.421 347 I N -1.878 118.574 120.570 -0.197 0.000 3.322 347 I HA 0.550 4.720 4.170 -0.000 0.000 0.313 347 I C -1.289 174.585 176.117 -0.405 0.000 1.129 347 I CA -1.247 59.911 61.300 -0.237 0.000 0.963 347 I CB 2.394 40.265 38.000 -0.216 0.000 1.273 347 I HN 0.474 nan 8.210 nan 0.000 0.473 348 Q N 1.578 121.184 119.800 -0.323 0.000 2.305 348 Q HA 0.743 5.082 4.340 -0.000 0.000 0.271 348 Q C -1.654 174.254 176.000 -0.153 0.000 1.046 348 Q CA -0.784 54.821 55.803 -0.329 0.000 0.798 348 Q CB 3.314 31.845 28.738 -0.345 0.000 1.286 348 Q HN 0.576 nan 8.270 nan 0.000 0.435 349 V N 0.832 120.737 119.914 -0.016 0.000 2.971 349 V HA 0.594 4.714 4.120 -0.000 0.000 0.309 349 V C -0.233 175.972 176.094 0.185 0.000 1.130 349 V CA -0.812 61.554 62.300 0.111 0.000 0.964 349 V CB 2.346 34.307 31.823 0.230 0.000 1.029 349 V HN 0.953 nan 8.190 nan 0.000 0.427 350 T N -0.813 113.826 114.554 0.142 0.000 2.945 350 T HA 0.720 5.070 4.350 -0.000 0.000 0.286 350 T C -0.696 174.145 174.700 0.236 0.000 1.025 350 T CA -0.725 61.475 62.100 0.167 0.000 1.039 350 T CB 1.772 70.682 68.868 0.070 0.000 1.068 350 T HN 0.783 nan 8.240 nan 0.000 0.497 351 D N 0.335 120.918 120.400 0.306 0.000 2.437 351 D HA 0.259 4.898 4.640 -0.000 0.000 0.259 351 D C 0.698 177.114 176.300 0.193 0.000 1.118 351 D CA -1.087 53.088 54.000 0.291 0.000 1.017 351 D CB 0.208 41.288 40.800 0.467 0.000 1.120 351 D HN 0.372 nan 8.370 nan 0.000 0.541 352 N N -1.085 117.716 118.700 0.167 0.000 2.635 352 N HA -0.081 4.659 4.740 -0.000 0.000 0.191 352 N C 0.738 176.316 175.510 0.112 0.000 1.155 352 N CA 0.970 54.094 53.050 0.122 0.000 0.927 352 N CB -0.314 38.237 38.487 0.107 0.000 0.976 352 N HN 0.689 nan 8.380 nan 0.000 0.448 353 T N -4.745 109.891 114.554 0.136 0.000 3.174 353 T HA 0.398 4.748 4.350 -0.000 0.000 0.269 353 T C 1.228 175.976 174.700 0.079 0.000 1.017 353 T CA 0.214 62.379 62.100 0.107 0.000 0.899 353 T CB 0.477 69.424 68.868 0.130 0.000 1.077 353 T HN 0.175 nan 8.240 nan 0.000 0.552 354 G N 1.369 110.214 108.800 0.075 0.000 2.184 354 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.264 354 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.264 354 G C 0.228 175.128 174.900 0.000 0.000 0.975 354 G CA 0.248 45.371 45.100 0.038 0.000 0.642 354 G HN 0.725 nan 8.290 nan 0.000 0.536 355 T N 1.376 115.929 114.554 -0.001 0.000 2.870 355 T HA 0.322 4.672 4.350 -0.000 0.000 0.300 355 T C 0.465 174.999 174.700 -0.276 0.000 0.989 355 T CA 0.032 62.038 62.100 -0.158 0.000 1.139 355 T CB 1.032 69.787 68.868 -0.189 0.000 0.920 355 T HN 0.427 nan 8.240 nan 0.000 0.537 356 N N 2.065 120.549 118.700 -0.359 0.000 2.499 356 N HA 0.236 4.976 4.740 -0.000 0.000 0.281 356 N C -1.216 173.975 175.510 -0.531 0.000 1.098 356 N CA -0.437 52.431 53.050 -0.302 0.000 0.979 356 N CB 0.778 39.149 38.487 -0.193 0.000 1.121 356 N HN 0.524 nan 8.380 nan 0.000 0.466 357 W N 0.802 122.084 121.300 -0.030 0.000 2.844 357 W HA 0.322 4.982 4.660 -0.000 0.000 0.340 357 W C -0.550 175.958 176.519 -0.018 0.000 1.093 357 W CA -0.644 56.731 57.345 0.050 0.000 1.212 357 W CB 1.163 30.679 29.460 0.093 0.000 1.422 357 W HN 0.497 nan 8.180 nan 0.000 0.515 358 H N 1.682 120.996 119.070 0.406 0.000 2.469 358 H HA 0.659 5.215 4.556 -0.000 0.000 0.342 358 H C -0.603 174.955 175.328 0.383 0.000 1.115 358 H CA -0.524 55.664 56.048 0.235 0.000 1.204 358 H CB 1.259 31.111 29.762 0.150 0.000 1.492 358 H HN 0.285 nan 8.280 nan 0.000 0.499 359 F N -0.427 119.653 119.950 0.217 0.000 2.744 359 F HA 0.470 4.997 4.527 -0.000 0.000 0.311 359 F C -1.808 174.032 175.800 0.068 0.000 1.144 359 F CA -1.197 56.885 58.000 0.138 0.000 0.938 359 F CB 1.184 40.257 39.000 0.121 0.000 1.292 359 F HN 0.290 nan 8.300 nan 0.000 0.444 360 N N 2.008 120.852 118.700 0.239 0.000 2.370 360 N HA 0.681 5.421 4.740 -0.000 0.000 0.303 360 N C -1.523 174.004 175.510 0.029 0.000 1.103 360 N CA -0.563 52.501 53.050 0.023 0.000 0.848 360 N CB 2.658 41.132 38.487 -0.022 0.000 1.235 360 N HN 0.683 nan 8.380 nan 0.000 0.496 361 L N 1.482 122.534 121.223 -0.284 0.000 2.346 361 L HA 0.635 4.975 4.340 -0.000 0.000 0.276 361 L C 0.405 177.057 176.870 -0.364 0.000 1.006 361 L CA -0.702 53.951 54.840 -0.312 0.000 0.817 361 L CB 1.552 43.274 42.059 -0.562 0.000 1.272 361 L HN 0.665 nan 8.230 nan 0.000 0.421 362 R N 0.991 121.427 120.500 -0.106 0.000 2.902 362 R HA 0.590 4.930 4.340 -0.000 0.000 0.264 362 R C -0.391 175.918 176.300 0.016 0.000 1.059 362 R CA -0.859 55.228 56.100 -0.023 0.000 0.935 362 R CB 0.644 30.936 30.300 -0.013 0.000 1.325 362 R HN 0.497 nan 8.270 nan 0.000 0.438 363 G N -0.751 108.063 108.800 0.024 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 0.885 175.794 174.900 0.016 0.000 1.246 363 G CA 0.467 45.574 45.100 0.013 0.000 0.946 363 G HN 1.332 nan 8.290 nan 0.000 0.474 364 G N 1.818 110.627 108.800 0.016 0.000 2.307 364 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.210 364 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.210 364 G C 0.686 175.628 174.900 0.070 0.000 1.005 364 G CA 0.168 45.286 45.100 0.030 0.000 0.634 364 G HN 1.087 nan 8.290 nan 0.000 0.496 365 T N 3.198 117.812 114.554 0.101 0.000 2.866 365 T HA 0.407 4.757 4.350 -0.000 0.000 0.293 365 T C 0.637 175.477 174.700 0.235 0.000 1.005 365 T CA 0.564 62.775 62.100 0.186 0.000 1.162 365 T CB 0.477 69.478 68.868 0.223 0.000 0.968 365 T HN 0.502 nan 8.240 nan 0.000 0.530 366 R N 1.455 122.067 120.500 0.186 0.000 2.732 366 R HA 0.782 5.122 4.340 -0.000 0.000 0.278 366 R C -0.496 175.711 176.300 -0.155 0.000 0.976 366 R CA -0.999 55.087 56.100 -0.022 0.000 0.963 366 R CB 1.765 31.964 30.300 -0.168 0.000 1.150 366 R HN 0.529 nan 8.270 nan 0.000 0.478 367 V N -1.886 117.735 119.914 -0.488 0.000 3.159 367 V HA 0.583 4.703 4.120 -0.000 0.000 0.308 367 V C -0.616 175.217 176.094 -0.435 0.000 1.190 367 V CA -1.006 60.996 62.300 -0.497 0.000 1.037 367 V CB 2.110 33.322 31.823 -1.018 0.000 1.060 367 V HN 0.402 nan 8.190 nan 0.000 0.437 368 V N 2.499 122.265 119.914 -0.247 0.000 2.407 368 V HA 0.389 4.509 4.120 -0.000 0.000 0.278 368 V C 0.401 176.493 176.094 -0.003 0.000 1.037 368 V CA -0.382 61.864 62.300 -0.092 0.000 0.900 368 V CB 1.277 33.064 31.823 -0.061 0.000 0.983 368 V HN 0.974 nan 8.190 nan 0.000 0.459 369 N N 4.743 123.493 118.700 0.083 0.000 2.508 369 N HA 0.176 4.916 4.740 -0.000 0.000 0.253 369 N C 1.003 176.550 175.510 0.062 0.000 1.145 369 N CA -0.029 53.126 53.050 0.175 0.000 0.973 369 N CB 0.846 39.444 38.487 0.185 0.000 1.305 369 N HN 0.670 nan 8.380 nan 0.000 0.506 370 L N 0.646 121.846 121.223 -0.038 0.000 2.127 370 L HA -0.127 4.213 4.340 -0.000 0.000 0.211 370 L C 0.862 177.541 176.870 -0.318 0.000 1.089 370 L CA 0.874 55.500 54.840 -0.357 0.000 0.757 370 L CB -0.390 41.381 42.059 -0.481 0.000 0.899 370 L HN 0.442 nan 8.230 nan 0.000 0.434 371 D N 0.539 120.932 120.400 -0.011 0.000 2.450 371 D HA -0.052 4.588 4.640 -0.000 0.000 0.247 371 D C 0.596 176.936 176.300 0.066 0.000 1.162 371 D CA 0.549 54.599 54.000 0.083 0.000 0.879 371 D CB 0.671 41.587 40.800 0.193 0.000 1.163 371 D HN 0.103 nan 8.370 nan 0.000 0.472 372 Q N 1.705 121.559 119.800 0.090 0.000 2.393 372 Q HA -0.206 4.134 4.340 -0.000 0.000 0.211 372 Q C 1.160 177.193 176.000 0.055 0.000 0.653 372 Q CA 1.167 57.015 55.803 0.076 0.000 1.331 372 Q CB -2.270 26.510 28.738 0.069 0.000 1.349 372 Q HN 0.851 nan 8.270 nan 0.000 0.824 373 I N -3.392 117.203 120.570 0.042 0.000 3.883 373 I HA 0.602 4.772 4.170 -0.000 0.000 0.326 373 I C 0.861 177.008 176.117 0.049 0.000 1.283 373 I CA 0.387 61.678 61.300 -0.014 0.000 1.161 373 I CB 0.349 38.269 38.000 -0.133 0.000 1.012 373 I HN 0.245 nan 8.210 nan 0.000 0.421 374 A N 1.021 123.936 122.820 0.159 0.000 2.697 374 A HA -0.107 4.213 4.320 -0.000 0.000 0.677 374 A C -2.532 175.146 177.584 0.158 0.000 0.304 374 A CA -0.628 51.481 52.037 0.119 0.000 0.117 374 A CB -2.579 16.443 19.000 0.036 0.000 3.916 374 A HN 0.325 nan 8.150 nan 0.000 0.544 375 P HA 0.336 nan 4.420 nan 0.000 0.260 375 P C -0.279 177.029 177.300 0.014 0.000 1.172 375 P CA 1.004 64.081 63.100 -0.039 0.000 0.760 375 P CB 0.253 31.902 31.700 -0.086 0.000 0.773 376 M N 3.025 122.666 119.600 0.068 0.000 2.365 376 M HA 0.333 4.813 4.480 -0.000 0.000 0.287 376 M C -1.139 175.115 176.300 -0.076 0.000 1.154 376 M CA -0.546 54.717 55.300 -0.061 0.000 0.941 376 M CB 2.416 34.925 32.600 -0.152 0.000 1.704 376 M HN 0.061 nan 8.290 nan 0.000 0.479 377 R N 3.157 123.549 120.500 -0.180 0.000 2.346 377 R HA 0.702 5.042 4.340 -0.000 0.000 0.311 377 R C -1.829 174.382 176.300 -0.147 0.000 0.983 377 R CA -0.208 55.847 56.100 -0.075 0.000 0.880 377 R CB 0.793 31.063 30.300 -0.050 0.000 1.100 377 R HN 0.638 nan 8.270 nan 0.000 0.453 378 F N 3.241 123.218 119.950 0.044 0.000 2.469 378 F HA 0.475 5.002 4.527 -0.000 0.000 0.332 378 F C -0.380 175.581 175.800 0.268 0.000 1.103 378 F CA -0.799 57.290 58.000 0.148 0.000 0.979 378 F CB 2.275 41.341 39.000 0.110 0.000 1.137 378 F HN 0.077 nan 8.300 nan 0.000 0.463 379 V N 4.545 124.719 119.914 0.433 0.000 2.569 379 V HA 0.385 4.505 4.120 -0.000 0.000 0.301 379 V C -1.137 175.152 176.094 0.325 0.000 1.044 379 V CA -0.644 61.859 62.300 0.338 0.000 0.874 379 V CB 1.927 33.861 31.823 0.185 0.000 1.002 379 V HN 0.527 nan 8.190 nan 0.000 0.424 380 L N 3.881 125.253 121.223 0.248 0.000 2.307 380 L HA 0.713 5.053 4.340 -0.000 0.000 0.284 380 L C -0.554 176.337 176.870 0.034 0.000 1.023 380 L CA 0.256 55.183 54.840 0.145 0.000 0.810 380 L CB 1.539 43.577 42.059 -0.036 0.000 1.231 380 L HN 0.684 nan 8.230 nan 0.000 0.423 381 D N 4.383 124.826 120.400 0.073 0.000 2.461 381 D HA 0.232 4.872 4.640 -0.000 0.000 0.240 381 D C 0.308 176.639 176.300 0.051 0.000 1.094 381 D CA -0.139 53.890 54.000 0.048 0.000 0.868 381 D CB 0.889 41.732 40.800 0.071 0.000 1.062 381 D HN 0.556 nan 8.370 nan 0.000 0.530 382 L N 2.426 123.655 121.223 0.009 0.000 2.627 382 L HA 0.287 4.627 4.340 -0.000 0.000 0.232 382 L C 1.460 178.380 176.870 0.082 0.000 1.150 382 L CA -0.293 54.568 54.840 0.036 0.000 0.917 382 L CB 0.114 42.137 42.059 -0.059 0.000 1.104 382 L HN 0.362 nan 8.230 nan 0.000 0.445 383 G N -0.682 108.162 108.800 0.074 0.000 2.340 383 G HA2 0.334 4.294 3.960 -0.000 0.000 0.245 383 G HA3 0.334 4.294 3.960 -0.000 0.000 0.245 383 G C 1.083 176.045 174.900 0.103 0.000 1.294 383 G CA 0.459 45.610 45.100 0.085 0.000 0.896 383 G HN 0.413 nan 8.290 nan 0.000 0.522 384 G N 1.592 110.459 108.800 0.112 0.000 2.299 384 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.237 384 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.237 384 G C 0.783 175.770 174.900 0.146 0.000 1.027 384 G CA 0.579 45.757 45.100 0.130 0.000 0.619 384 G HN 0.771 nan 8.290 nan 0.000 0.513 385 K N 0.946 121.439 120.400 0.155 0.000 2.149 385 K HA 0.591 4.911 4.320 -0.000 0.000 0.245 385 K C 1.233 177.947 176.600 0.190 0.000 1.024 385 K CA 0.398 56.783 56.287 0.163 0.000 0.899 385 K CB 1.305 33.975 32.500 0.283 0.000 1.038 385 K HN 0.216 nan 8.250 nan 0.000 0.496 386 S N -0.065 115.708 115.700 0.122 0.000 2.583 386 S HA 0.005 4.475 4.470 -0.000 0.000 0.203 386 S C 0.024 174.813 174.600 0.315 0.000 0.952 386 S CA 0.330 58.618 58.200 0.146 0.000 0.887 386 S CB -0.412 62.809 63.200 0.034 0.000 0.857 386 S HN 0.591 nan 8.310 nan 0.000 0.611 387 Y N 0.286 120.674 120.300 0.147 0.000 4.798 387 Y HA -0.173 4.377 4.550 -0.000 0.000 0.237 387 Y C 0.223 176.274 175.900 0.251 0.000 1.017 387 Y CA 0.670 58.911 58.100 0.235 0.000 2.010 387 Y CB -1.666 37.038 38.460 0.407 0.000 1.582 387 Y HN 0.237 nan 8.280 nan 0.000 0.621 388 K N 2.706 123.258 120.400 0.254 0.000 2.349 388 K HA 0.402 4.722 4.320 -0.000 0.000 0.288 388 K C -0.225 176.468 176.600 0.156 0.000 1.058 388 K CA 0.173 56.575 56.287 0.192 0.000 0.953 388 K CB 0.562 33.128 32.500 0.110 0.000 0.997 388 K HN 0.362 nan 8.250 nan 0.000 0.477 389 E N 1.984 122.295 120.200 0.185 0.000 2.378 389 E HA 0.229 4.579 4.350 -0.000 0.000 0.265 389 E C 0.279 176.946 176.600 0.113 0.000 0.932 389 E CA -0.889 55.593 56.400 0.137 0.000 0.795 389 E CB 1.402 31.193 29.700 0.151 0.000 1.296 389 E HN 0.580 nan 8.360 nan 0.000 0.438 390 T N 0.135 114.737 114.554 0.079 0.000 2.721 390 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 390 T C 1.320 176.061 174.700 0.067 0.000 1.038 390 T CA 1.849 63.985 62.100 0.059 0.000 1.145 390 T CB -0.104 68.790 68.868 0.044 0.000 0.858 390 T HN 0.302 nan 8.240 nan 0.000 0.459 391 S N 0.042 115.805 115.700 0.104 0.000 2.751 391 S HA 0.353 4.823 4.470 -0.000 0.000 0.247 391 S C -1.271 173.455 174.600 0.210 0.000 1.103 391 S CA -0.840 57.427 58.200 0.111 0.000 1.090 391 S CB -0.043 63.214 63.200 0.095 0.000 0.928 391 S HN 0.535 nan 8.310 nan 0.000 0.502 392 W N 1.975 123.247 121.300 -0.047 0.000 3.544 392 W HA 0.325 4.985 4.660 -0.000 0.000 0.326 392 W C -2.469 174.005 176.519 -0.075 0.000 1.137 392 W CA -0.481 56.811 57.345 -0.087 0.000 1.252 392 W CB 1.297 30.685 29.460 -0.119 0.000 1.302 392 W HN 0.157 nan 8.180 nan 0.000 0.467 393 D N 8.120 128.195 120.400 -0.541 0.000 2.425 393 D HA 0.245 4.885 4.640 -0.000 0.000 0.240 393 D C -1.197 174.802 176.300 -0.503 0.000 1.080 393 D CA -1.826 51.970 54.000 -0.340 0.000 0.836 393 D CB 2.869 43.525 40.800 -0.240 0.000 1.125 393 D HN 0.083 nan 8.370 nan 0.000 0.525 394 P HA -0.151 nan 4.420 nan 0.000 0.221 394 P C 0.384 177.652 177.300 -0.054 0.000 1.145 394 P CA 0.306 63.402 63.100 -0.007 0.000 0.795 394 P CB 0.265 32.128 31.700 0.272 0.000 0.775 395 N N 0.583 119.216 118.700 -0.112 0.000 2.429 395 N HA 0.180 4.920 4.740 -0.000 0.000 0.271 395 N C 1.358 176.819 175.510 -0.082 0.000 1.272 395 N CA 1.620 54.609 53.050 -0.101 0.000 0.921 395 N CB -0.722 37.680 38.487 -0.141 0.000 1.128 395 N HN 0.226 nan 8.380 nan 0.000 0.481 396 G N 2.353 111.153 108.800 -0.000 0.000 2.195 396 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.246 396 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.246 396 G C 0.211 175.115 174.900 0.006 0.000 0.984 396 G CA 0.039 45.148 45.100 0.014 0.000 0.633 396 G HN 0.568 nan 8.290 nan 0.000 0.525 397 K N 0.469 120.861 120.400 -0.013 0.000 2.118 397 K HA 0.617 4.937 4.320 -0.000 0.000 0.240 397 K C 0.418 177.125 176.600 0.178 0.000 1.035 397 K CA 0.033 56.350 56.287 0.050 0.000 0.899 397 K CB 0.558 33.060 32.500 0.005 0.000 1.085 397 K HN 0.364 nan 8.250 nan 0.000 0.498 398 K N 0.306 120.853 120.400 0.245 0.000 2.371 398 K HA 0.416 4.736 4.320 -0.000 0.000 0.251 398 K C -0.751 175.899 176.600 0.083 0.000 0.934 398 K CA -0.869 55.498 56.287 0.134 0.000 0.798 398 K CB 2.066 34.589 32.500 0.038 0.000 1.204 398 K HN 0.408 nan 8.250 nan 0.000 0.427 399 V N -1.615 118.234 119.914 -0.109 0.000 2.864 399 V HA 0.985 5.105 4.120 -0.000 0.000 0.314 399 V C -0.099 175.776 176.094 -0.365 0.000 1.073 399 V CA -0.587 61.521 62.300 -0.320 0.000 0.956 399 V CB 1.665 33.182 31.823 -0.509 0.000 1.023 399 V HN 0.860 nan 8.190 nan 0.000 0.435 400 G N 0.937 109.459 108.800 -0.463 0.000 2.684 400 G HA2 0.668 4.628 3.960 -0.000 0.000 0.290 400 G HA3 0.668 4.628 3.960 -0.000 0.000 0.290 400 G C -1.908 172.737 174.900 -0.426 0.000 1.425 400 G CA -0.809 44.036 45.100 -0.425 0.000 0.822 400 G HN 0.691 nan 8.290 nan 0.000 0.482 401 F N 0.165 119.917 119.950 -0.331 0.000 2.415 401 F HA 0.559 5.086 4.527 -0.000 0.000 0.348 401 F C -0.170 175.407 175.800 -0.371 0.000 1.119 401 F CA -0.709 57.074 58.000 -0.361 0.000 1.069 401 F CB 1.845 40.664 39.000 -0.302 0.000 1.124 401 F HN 0.035 nan 8.300 nan 0.000 0.472 402 I N 4.382 124.849 120.570 -0.171 0.000 2.433 402 I HA 0.335 4.505 4.170 -0.000 0.000 0.292 402 I C -0.760 175.177 176.117 -0.300 0.000 1.001 402 I CA -0.706 60.418 61.300 -0.293 0.000 1.119 402 I CB 1.852 39.613 38.000 -0.399 0.000 1.289 402 I HN 0.123 nan 8.210 nan 0.000 0.438 403 V N 6.521 126.228 119.914 -0.345 0.000 2.357 403 V HA 0.433 4.553 4.120 -0.000 0.000 0.284 403 V C -0.383 175.627 176.094 -0.139 0.000 1.018 403 V CA -0.522 61.662 62.300 -0.194 0.000 0.841 403 V CB 0.628 32.343 31.823 -0.179 0.000 0.991 403 V HN 0.365 nan 8.190 nan 0.000 0.437 404 F N 2.556 122.603 119.950 0.160 0.000 2.399 404 F HA 0.600 5.127 4.527 -0.000 0.000 0.328 404 F C 0.670 176.524 175.800 0.091 0.000 1.084 404 F CA -0.565 57.578 58.000 0.239 0.000 1.053 404 F CB 1.243 40.564 39.000 0.536 0.000 1.209 404 F HN 0.351 nan 8.300 nan 0.000 0.502 405 Q N 1.767 121.706 119.800 0.232 0.000 2.533 405 Q HA 0.406 4.746 4.340 -0.000 0.000 0.251 405 Q C -1.111 174.888 176.000 -0.002 0.000 0.966 405 Q CA -0.510 55.250 55.803 -0.072 0.000 0.714 405 Q CB 2.114 30.831 28.738 -0.035 0.000 1.284 405 Q HN 0.661 nan 8.270 nan 0.000 0.478 406 S N 1.231 116.917 115.700 -0.023 0.000 2.595 406 S HA 0.414 4.884 4.470 -0.000 0.000 0.281 406 S C 0.128 174.745 174.600 0.028 0.000 1.117 406 S CA -0.604 57.649 58.200 0.089 0.000 0.873 406 S CB 1.491 64.899 63.200 0.347 0.000 1.108 406 S HN 0.536 nan 8.310 nan 0.000 0.477 407 K N 1.533 121.964 120.400 0.052 0.000 2.361 407 K HA 0.299 4.619 4.320 -0.000 0.000 0.196 407 K C 0.016 176.689 176.600 0.122 0.000 1.039 407 K CA 0.479 56.795 56.287 0.047 0.000 1.001 407 K CB -0.038 32.479 32.500 0.029 0.000 0.795 407 K HN 0.578 nan 8.250 nan 0.000 0.495 408 I N 3.126 123.824 120.570 0.213 0.000 2.395 408 I HA 0.123 4.293 4.170 -0.000 0.000 0.289 408 I C -2.359 174.062 176.117 0.507 0.000 1.023 408 I CA -2.579 58.904 61.300 0.305 0.000 1.350 408 I CB 0.857 39.019 38.000 0.270 0.000 1.409 408 I HN -0.274 nan 8.210 nan 0.000 0.507 409 P HA -0.066 nan 4.420 nan 0.000 0.265 409 P C 0.386 177.764 177.300 0.128 0.000 1.193 409 P CA 0.051 63.316 63.100 0.276 0.000 0.765 409 P CB 0.398 32.183 31.700 0.143 0.000 0.823 410 F N 3.940 123.673 119.950 -0.363 0.000 2.120 410 F HA -0.257 4.270 4.527 -0.000 0.000 0.300 410 F C 1.647 177.027 175.800 -0.701 0.000 1.095 410 F CA 1.896 59.161 58.000 -1.225 0.000 1.249 410 F CB -0.405 37.612 39.000 -1.639 0.000 0.995 410 F HN 0.332 nan 8.300 nan 0.000 0.480 411 E N 0.511 120.483 120.200 -0.380 0.000 2.209 411 E HA -0.198 4.152 4.350 -0.000 0.000 0.196 411 E C 1.976 178.442 176.600 -0.224 0.000 0.993 411 E CA 1.568 57.788 56.400 -0.300 0.000 0.819 411 E CB -0.630 28.989 29.700 -0.134 0.000 0.745 411 E HN 0.479 nan 8.360 nan 0.000 0.477 412 L N -0.624 120.537 121.223 -0.103 0.000 2.599 412 L HA 0.075 4.414 4.340 -0.000 0.000 0.230 412 L C 0.122 177.058 176.870 0.110 0.000 1.141 412 L CA -0.434 54.417 54.840 0.019 0.000 0.877 412 L CB -0.153 41.954 42.059 0.079 0.000 1.009 412 L HN 0.121 nan 8.230 nan 0.000 0.447 413 W N 1.312 122.461 121.300 -0.253 0.000 2.210 413 W HA 0.189 4.849 4.660 -0.000 0.000 0.330 413 W C 1.364 177.730 176.519 -0.256 0.000 1.334 413 W CA 0.132 57.325 57.345 -0.254 0.000 1.227 413 W CB 0.148 29.467 29.460 -0.236 0.000 1.178 413 W HN 0.042 nan 8.180 nan 0.000 0.560 414 T N -1.478 112.887 114.554 -0.314 0.000 3.177 414 T HA 0.519 4.869 4.350 -0.000 0.000 0.267 414 T C -0.024 174.032 174.700 -1.073 0.000 0.858 414 T CA 0.297 62.135 62.100 -0.438 0.000 0.846 414 T CB -0.277 68.480 68.868 -0.186 0.000 1.256 414 T HN 0.457 nan 8.240 nan 0.000 0.601 415 A N 0.526 122.622 122.820 -1.206 0.000 2.454 415 A HA 0.951 5.271 4.320 -0.000 0.000 0.302 415 A C 1.327 178.349 177.584 -0.937 0.000 1.079 415 A CA -0.266 51.185 52.037 -0.976 0.000 0.731 415 A CB 1.170 19.903 19.000 -0.445 0.000 1.299 415 A HN 0.636 nan 8.150 nan 0.000 0.413 416 A N 0.738 123.316 122.820 -0.402 0.000 2.076 416 A HA -0.054 4.266 4.320 -0.000 0.000 0.220 416 A C 2.140 179.620 177.584 -0.174 0.000 1.160 416 A CA 2.432 54.436 52.037 -0.056 0.000 0.653 416 A CB -0.892 18.155 19.000 0.078 0.000 0.801 416 A HN 1.792 nan 8.150 nan 0.000 0.455 417 S N -0.591 114.970 115.700 -0.230 0.000 2.474 417 S HA -0.171 4.299 4.470 -0.000 0.000 0.235 417 S C 1.526 175.968 174.600 -0.263 0.000 0.997 417 S CA 1.203 59.283 58.200 -0.199 0.000 0.949 417 S CB -0.355 62.747 63.200 -0.164 0.000 0.766 417 S HN 0.741 nan 8.310 nan 0.000 0.517 418 Q N 0.798 120.342 119.800 -0.427 0.000 2.392 418 Q HA 0.346 4.686 4.340 -0.000 0.000 0.203 418 Q C 1.860 177.359 176.000 -0.835 0.000 0.917 418 Q CA 0.403 55.872 55.803 -0.555 0.000 0.939 418 Q CB -0.313 28.037 28.738 -0.647 0.000 1.063 418 Q HN 0.901 nan 8.270 nan 0.000 0.516 419 I N -3.061 117.042 120.570 -0.778 0.000 3.444 419 I HA 0.167 4.337 4.170 -0.000 0.000 0.287 419 I C 1.092 177.157 176.117 -0.087 0.000 1.302 419 I CA 0.469 61.327 61.300 -0.737 0.000 1.368 419 I CB -0.720 37.159 38.000 -0.202 0.000 1.048 419 I HN 0.143 nan 8.210 nan 0.000 0.487 420 G N 1.941 110.688 108.800 -0.088 0.000 2.596 420 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.295 420 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.295 420 G C -0.223 174.721 174.900 0.073 0.000 1.240 420 G CA 0.198 45.309 45.100 0.018 0.000 0.985 420 G HN 0.528 nan 8.290 nan 0.000 0.555 421 Q N 1.336 121.191 119.800 0.092 0.000 2.296 421 Q HA 0.649 4.989 4.340 -0.000 0.000 0.257 421 Q C 0.340 176.393 176.000 0.090 0.000 0.942 421 Q CA 0.510 56.361 55.803 0.080 0.000 0.939 421 Q CB 1.151 29.927 28.738 0.063 0.000 1.198 421 Q HN 1.223 nan 8.270 nan 0.000 0.429 422 A N 2.414 125.256 122.820 0.036 0.000 2.401 422 A HA 0.871 5.191 4.320 -0.000 0.000 0.310 422 A C -0.680 176.857 177.584 -0.079 0.000 1.075 422 A CA -0.483 51.484 52.037 -0.116 0.000 0.746 422 A CB 1.598 20.449 19.000 -0.248 0.000 1.277 422 A HN 0.551 nan 8.150 nan 0.000 0.425 423 T N 1.041 115.519 114.554 -0.127 0.000 2.971 423 T HA 0.404 4.754 4.350 -0.000 0.000 0.304 423 T C -0.834 173.829 174.700 -0.062 0.000 1.038 423 T CA -0.411 61.670 62.100 -0.032 0.000 1.007 423 T CB 1.463 70.338 68.868 0.011 0.000 1.055 423 T HN 0.521 nan 8.240 nan 0.000 0.451 424 V N 4.333 124.261 119.914 0.023 0.000 2.397 424 V HA 0.070 4.190 4.120 -0.000 0.000 0.262 424 V C 1.673 177.786 176.094 0.032 0.000 1.047 424 V CA 0.054 62.342 62.300 -0.020 0.000 1.003 424 V CB 0.555 32.370 31.823 -0.015 0.000 1.037 424 V HN 0.889 nan 8.190 nan 0.000 0.480 425 V N 1.773 121.680 119.914 -0.011 0.000 3.306 425 V HA 0.320 4.440 4.120 -0.000 0.000 0.264 425 V C 0.633 176.794 176.094 0.112 0.000 1.149 425 V CA 0.777 63.113 62.300 0.059 0.000 1.143 425 V CB -0.549 31.285 31.823 0.017 0.000 0.767 425 V HN 0.801 nan 8.190 nan 0.000 0.476 426 N N -0.384 118.366 118.700 0.084 0.000 3.452 426 N HA 0.373 5.113 4.740 -0.000 0.000 0.231 426 N C -1.610 173.883 175.510 -0.028 0.000 1.264 426 N CA -0.252 52.813 53.050 0.025 0.000 0.928 426 N CB 1.754 40.294 38.487 0.087 0.000 1.547 426 N HN 0.468 nan 8.380 nan 0.000 0.509 427 Y N -0.860 119.322 120.300 -0.198 0.000 2.641 427 Y HA 0.730 5.280 4.550 -0.000 0.000 0.333 427 Y C -1.412 174.364 175.900 -0.208 0.000 1.174 427 Y CA -1.085 56.830 58.100 -0.308 0.000 1.057 427 Y CB 0.427 38.593 38.460 -0.490 0.000 1.322 427 Y HN 0.345 nan 8.280 nan 0.000 0.457 428 V N -0.445 119.441 119.914 -0.047 0.000 3.078 428 V HA 0.651 4.771 4.120 -0.000 0.000 0.311 428 V C -1.126 175.001 176.094 0.054 0.000 1.138 428 V CA -1.052 61.222 62.300 -0.043 0.000 1.007 428 V CB 1.791 33.556 31.823 -0.097 0.000 1.045 428 V HN 1.087 nan 8.190 nan 0.000 0.432 429 Q N 1.568 121.415 119.800 0.078 0.000 2.241 429 Q HA 0.669 5.009 4.340 -0.000 0.000 0.254 429 Q C -1.223 174.828 176.000 0.084 0.000 0.917 429 Q CA -0.672 55.193 55.803 0.103 0.000 0.919 429 Q CB 1.681 30.494 28.738 0.126 0.000 1.237 429 Q HN 0.826 nan 8.270 nan 0.000 0.434 430 L N 3.341 124.622 121.223 0.097 0.000 2.399 430 L HA 0.387 4.727 4.340 -0.000 0.000 0.266 430 L C -0.747 176.218 176.870 0.158 0.000 1.114 430 L CA -0.847 54.057 54.840 0.106 0.000 0.804 430 L CB 0.575 42.695 42.059 0.103 0.000 1.146 430 L HN 0.676 nan 8.230 nan 0.000 0.451 431 Y N 1.640 121.959 120.300 0.032 0.000 2.361 431 Y HA 0.685 5.235 4.550 -0.000 0.000 0.337 431 Y C -0.538 175.386 175.900 0.040 0.000 0.965 431 Y CA -0.879 57.237 58.100 0.027 0.000 1.091 431 Y CB 1.572 40.044 38.460 0.020 0.000 1.182 431 Y HN 0.603 nan 8.280 nan 0.000 0.450 432 A N 4.887 127.329 122.820 -0.631 0.000 2.384 432 A HA 0.821 5.141 4.320 -0.000 0.000 0.312 432 A C -1.027 176.163 177.584 -0.657 0.000 1.113 432 A CA -0.531 51.234 52.037 -0.453 0.000 0.779 432 A CB 1.893 20.784 19.000 -0.182 0.000 1.307 432 A HN 0.862 nan 8.150 nan 0.000 0.436 433 E N -0.536 119.468 120.200 -0.327 0.000 2.350 433 E HA 0.381 4.731 4.350 -0.000 0.000 0.243 433 E C -1.643 174.911 176.600 -0.077 0.000 0.959 433 E CA -0.658 55.617 56.400 -0.207 0.000 0.883 433 E CB 1.212 30.837 29.700 -0.126 0.000 1.820 433 E HN 0.584 nan 8.360 nan 0.000 0.441 434 D N 0.889 121.270 120.400 -0.031 0.000 2.168 434 D HA 0.293 4.933 4.640 -0.000 0.000 0.246 434 D C -0.575 175.732 176.300 0.012 0.000 1.050 434 D CA -0.138 53.862 54.000 -0.000 0.000 0.857 434 D CB 1.801 42.602 40.800 0.002 0.000 1.169 434 D HN 0.422 nan 8.370 nan 0.000 0.453 435 S N -0.109 115.615 115.700 0.040 0.000 2.738 435 S HA 0.253 4.723 4.470 -0.000 0.000 0.284 435 S C 1.414 175.984 174.600 -0.051 0.000 1.146 435 S CA -0.342 57.875 58.200 0.028 0.000 0.997 435 S CB 1.281 64.575 63.200 0.155 0.000 1.081 435 S HN 0.365 nan 8.310 nan 0.000 0.553 436 S N -0.222 115.350 115.700 -0.213 0.000 2.399 436 S HA 0.002 4.472 4.470 -0.000 0.000 0.231 436 S C 0.255 174.672 174.600 -0.306 0.000 1.022 436 S CA 0.335 58.346 58.200 -0.314 0.000 0.983 436 S CB -1.067 61.844 63.200 -0.481 0.000 0.803 436 S HN 0.609 nan 8.310 nan 0.000 0.480 437 F N 3.944 123.899 119.950 0.008 0.000 2.471 437 F HA 0.302 4.829 4.527 -0.000 0.000 0.365 437 F C 1.218 177.021 175.800 0.005 0.000 1.095 437 F CA -0.674 57.329 58.000 0.006 0.000 1.174 437 F CB -0.117 38.887 39.000 0.006 0.000 1.105 437 F HN -0.036 nan 8.300 nan 0.000 0.535 438 T N 1.023 115.667 114.554 0.150 0.000 2.855 438 T HA 0.304 4.654 4.350 -0.000 0.000 0.322 438 T C 1.145 175.901 174.700 0.095 0.000 1.088 438 T CA 0.016 62.170 62.100 0.091 0.000 1.104 438 T CB 0.986 69.891 68.868 0.060 0.000 0.996 438 T HN 1.061 nan 8.240 nan 0.000 0.549 439 A N 0.121 122.979 122.820 0.063 0.000 3.420 439 A HA -0.185 4.135 4.320 -0.000 0.000 0.269 439 A C 0.571 178.190 177.584 0.059 0.000 1.122 439 A CA 1.178 53.246 52.037 0.051 0.000 1.023 439 A CB -1.754 17.271 19.000 0.042 0.000 1.099 439 A HN 0.759 nan 8.150 nan 0.000 0.860 440 Q N 0.240 120.093 119.800 0.089 0.000 2.266 440 Q HA 0.592 4.932 4.340 -0.000 0.000 0.261 440 Q C 0.077 176.131 176.000 0.090 0.000 0.985 440 Q CA 0.341 56.201 55.803 0.096 0.000 0.873 440 Q CB 1.887 30.711 28.738 0.143 0.000 1.306 440 Q HN 0.949 nan 8.270 nan 0.000 0.447 441 S N 1.037 116.783 115.700 0.077 0.000 2.549 441 S HA 0.714 5.184 4.470 -0.000 0.000 0.297 441 S C -0.158 174.491 174.600 0.081 0.000 1.115 441 S CA -0.845 57.387 58.200 0.053 0.000 1.059 441 S CB 1.256 64.472 63.200 0.027 0.000 1.046 441 S HN 0.640 nan 8.310 nan 0.000 0.506 442 I N 2.801 123.404 120.570 0.055 0.000 2.389 442 I HA 0.484 4.654 4.170 -0.000 0.000 0.288 442 I C -1.098 175.044 176.117 0.042 0.000 0.999 442 I CA -1.446 59.902 61.300 0.080 0.000 1.129 442 I CB 0.829 38.881 38.000 0.087 0.000 1.288 442 I HN 0.730 nan 8.210 nan 0.000 0.444 443 I N 7.303 127.924 120.570 0.084 0.000 2.474 443 I HA 0.284 4.454 4.170 -0.000 0.000 0.287 443 I C 0.929 177.092 176.117 0.078 0.000 1.048 443 I CA -0.223 61.119 61.300 0.069 0.000 1.383 443 I CB 1.420 39.488 38.000 0.114 0.000 1.412 443 I HN 0.655 nan 8.210 nan 0.000 0.531 444 A N 4.878 127.756 122.820 0.096 0.000 2.448 444 A HA 0.212 4.532 4.320 -0.000 0.000 0.239 444 A C 0.423 178.066 177.584 0.097 0.000 1.080 444 A CA -0.145 51.977 52.037 0.142 0.000 0.779 444 A CB -0.057 19.101 19.000 0.264 0.000 1.026 444 A HN 0.718 nan 8.150 nan 0.000 0.499 445 T N 1.815 116.418 114.554 0.082 0.000 2.928 445 T HA 0.404 4.754 4.350 -0.000 0.000 0.305 445 T C 0.755 175.477 174.700 0.038 0.000 1.035 445 T CA 1.011 63.145 62.100 0.056 0.000 1.145 445 T CB -0.124 68.774 68.868 0.049 0.000 0.963 445 T HN 0.972 nan 8.240 nan 0.000 0.545 446 T N -0.367 114.198 114.554 0.018 0.000 2.926 446 T HA 0.646 4.996 4.350 -0.000 0.000 0.289 446 T C 0.007 174.701 174.700 -0.010 0.000 1.054 446 T CA -0.963 61.130 62.100 -0.012 0.000 1.015 446 T CB 1.797 70.631 68.868 -0.057 0.000 1.167 446 T HN 0.260 nan 8.240 nan 0.000 0.526 447 S N 0.869 116.554 115.700 -0.024 0.000 2.694 447 S HA 0.235 4.705 4.470 -0.000 0.000 0.232 447 S C -0.392 174.201 174.600 -0.011 0.000 1.017 447 S CA -0.608 57.593 58.200 0.002 0.000 1.139 447 S CB -0.190 63.018 63.200 0.013 0.000 1.247 447 S HN 0.745 nan 8.310 nan 0.000 0.452 448 L N 3.525 124.697 121.223 -0.085 0.000 2.615 448 L HA 0.451 4.791 4.340 -0.000 0.000 0.271 448 L C 0.199 177.104 176.870 0.058 0.000 1.183 448 L CA 0.575 55.317 54.840 -0.163 0.000 0.933 448 L CB -0.242 41.521 42.059 -0.493 0.000 1.199 448 L HN 0.412 nan 8.230 nan 0.000 0.487 449 A N 5.195 128.122 122.820 0.178 0.000 2.337 449 A HA 0.715 5.035 4.320 -0.000 0.000 0.331 449 A C -1.631 176.262 177.584 0.514 0.000 1.137 449 A CA -0.475 51.778 52.037 0.359 0.000 0.807 449 A CB 1.071 20.187 19.000 0.193 0.000 1.250 449 A HN 0.730 nan 8.150 nan 0.000 0.468 450 Y N 1.341 121.841 120.300 0.334 0.000 2.399 450 Y HA 0.474 5.024 4.550 -0.000 0.000 0.327 450 Y C -1.601 174.423 175.900 0.207 0.000 1.111 450 Y CA -1.339 56.873 58.100 0.186 0.000 1.047 450 Y CB 1.477 39.888 38.460 -0.081 0.000 1.259 450 Y HN 0.644 nan 8.280 nan 0.000 0.434 451 N N 4.765 123.101 118.700 -0.606 0.000 2.437 451 N HA 0.165 4.905 4.740 -0.000 0.000 0.259 451 N C -1.750 173.287 175.510 -0.788 0.000 0.983 451 N CA -0.375 52.388 53.050 -0.478 0.000 0.937 451 N CB 0.610 38.962 38.487 -0.225 0.000 1.122 451 N HN 0.590 nan 8.380 nan 0.000 0.499 452 Y N 1.716 121.685 120.300 -0.552 0.000 2.556 452 Y HA 0.253 4.803 4.550 -0.000 0.000 0.352 452 Y C -0.521 175.293 175.900 -0.143 0.000 1.006 452 Y CA -0.661 57.266 58.100 -0.289 0.000 1.277 452 Y CB 0.208 38.719 38.460 0.085 0.000 1.136 452 Y HN 0.426 nan 8.280 nan 0.000 0.523 453 E N 8.652 128.509 120.200 -0.571 0.000 2.101 453 E HA 0.237 4.587 4.350 -0.000 0.000 0.260 453 E C -2.059 174.158 176.600 -0.638 0.000 0.897 453 E CA -2.009 54.083 56.400 -0.513 0.000 0.744 453 E CB 1.359 30.900 29.700 -0.266 0.000 1.140 453 E HN 0.502 nan 8.360 nan 0.000 0.419 454 P HA -0.274 nan 4.420 nan 0.000 0.216 454 P C 0.530 177.652 177.300 -0.296 0.000 1.154 454 P CA 1.372 64.131 63.100 -0.567 0.000 0.865 454 P CB 0.287 31.771 31.700 -0.359 0.000 0.789 455 E N -0.786 119.279 120.200 -0.225 0.000 2.204 455 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 455 E C 2.010 178.545 176.600 -0.109 0.000 0.990 455 E CA 0.977 57.296 56.400 -0.136 0.000 0.821 455 E CB -1.083 28.553 29.700 -0.106 0.000 0.750 455 E HN 0.301 nan 8.360 nan 0.000 0.477 456 Q N 0.224 119.947 119.800 -0.128 0.000 2.123 456 Q HA 0.043 4.383 4.340 -0.000 0.000 0.199 456 Q C 2.340 178.317 176.000 -0.039 0.000 0.966 456 Q CA 0.859 56.620 55.803 -0.070 0.000 0.845 456 Q CB -0.183 28.518 28.738 -0.062 0.000 0.907 456 Q HN 0.376 nan 8.270 nan 0.000 0.439 457 L N 0.447 121.627 121.223 -0.073 0.000 2.056 457 L HA -0.070 4.270 4.340 -0.000 0.000 0.207 457 L C 0.630 177.488 176.870 -0.020 0.000 1.078 457 L CA 0.388 55.212 54.840 -0.027 0.000 0.749 457 L CB -0.178 41.807 42.059 -0.124 0.000 0.901 457 L HN 0.335 nan 8.230 nan 0.000 0.433 458 N N 1.410 120.066 118.700 -0.073 0.000 2.681 458 N HA -0.197 4.543 4.740 -0.000 0.000 0.259 458 N C -0.036 175.480 175.510 0.009 0.000 1.066 458 N CA 0.557 53.587 53.050 -0.032 0.000 0.717 458 N CB -0.514 37.974 38.487 0.002 0.000 0.885 458 N HN 0.283 nan 8.380 nan 0.000 0.547 459 K N 0.569 120.942 120.400 -0.044 0.000 2.447 459 K HA 0.077 4.397 4.320 -0.000 0.000 0.281 459 K C 0.712 177.370 176.600 0.096 0.000 1.031 459 K CA 0.787 57.127 56.287 0.088 0.000 1.019 459 K CB 0.576 33.083 32.500 0.010 0.000 0.918 459 K HN 0.242 nan 8.250 nan 0.000 0.476 460 T N 2.045 116.678 114.554 0.132 0.000 3.238 460 T HA -0.047 4.303 4.350 -0.000 0.000 0.242 460 T C -0.538 174.214 174.700 0.087 0.000 0.980 460 T CA -0.037 62.115 62.100 0.086 0.000 1.235 460 T CB -0.052 68.858 68.868 0.071 0.000 1.069 460 T HN 0.683 nan 8.240 nan 0.000 0.407 461 D N 2.909 123.366 120.400 0.095 0.000 2.363 461 D HA 0.134 4.774 4.640 -0.000 0.000 0.263 461 D C -1.897 174.456 176.300 0.087 0.000 1.258 461 D CA -2.009 52.035 54.000 0.074 0.000 0.907 461 D CB 1.474 42.308 40.800 0.057 0.000 1.107 461 D HN 0.024 nan 8.370 nan 0.000 0.495 462 P HA -0.106 nan 4.420 nan 0.000 0.221 462 P C 0.339 177.680 177.300 0.068 0.000 1.145 462 P CA 0.980 64.125 63.100 0.074 0.000 0.795 462 P CB 0.237 31.970 31.700 0.055 0.000 0.775 463 E N -1.887 118.344 120.200 0.051 0.000 2.476 463 E HA 0.062 4.412 4.350 -0.000 0.000 0.191 463 E C 0.310 176.917 176.600 0.011 0.000 1.064 463 E CA -0.064 56.358 56.400 0.037 0.000 0.866 463 E CB -0.108 29.611 29.700 0.033 0.000 0.952 463 E HN 0.188 nan 8.360 nan 0.000 0.492 464 M N 1.587 121.189 119.600 0.003 0.000 2.185 464 M HA 0.174 4.654 4.480 -0.000 0.000 0.357 464 M C -0.271 175.882 176.300 -0.245 0.000 1.260 464 M CA -0.024 55.196 55.300 -0.133 0.000 1.124 464 M CB 0.772 33.299 32.600 -0.122 0.000 1.600 464 M HN -0.089 nan 8.290 nan 0.000 0.467 465 N N 3.331 121.759 118.700 -0.454 0.000 2.361 465 N HA 0.406 5.146 4.740 -0.000 0.000 0.302 465 N C -1.616 173.299 175.510 -0.991 0.000 1.074 465 N CA -0.271 52.436 53.050 -0.571 0.000 0.850 465 N CB 1.533 39.675 38.487 -0.575 0.000 1.228 465 N HN 0.400 nan 8.380 nan 0.000 0.491 466 Y N 1.405 121.441 120.300 -0.440 0.000 2.328 466 Y HA 0.384 4.934 4.550 -0.000 0.000 0.333 466 Y C -0.475 175.274 175.900 -0.250 0.000 0.958 466 Y CA -0.667 57.277 58.100 -0.260 0.000 1.167 466 Y CB 0.820 39.255 38.460 -0.041 0.000 1.151 466 Y HN 0.385 nan 8.280 nan 0.000 0.470 467 Y N 3.155 123.531 120.300 0.128 0.000 2.468 467 Y HA 0.629 5.179 4.550 -0.000 0.000 0.342 467 Y C -0.815 175.102 175.900 0.027 0.000 1.021 467 Y CA -1.469 56.626 58.100 -0.009 0.000 1.079 467 Y CB 2.091 40.454 38.460 -0.161 0.000 1.226 467 Y HN 0.402 nan 8.280 nan 0.000 0.460 468 L N 4.123 125.393 121.223 0.077 0.000 2.356 468 L HA 0.649 4.989 4.340 -0.000 0.000 0.277 468 L C -1.706 175.248 176.870 0.140 0.000 0.996 468 L CA -0.699 54.109 54.840 -0.053 0.000 0.822 468 L CB 1.530 43.376 42.059 -0.354 0.000 1.256 468 L HN 0.621 nan 8.230 nan 0.000 0.413 469 L N 4.684 126.018 121.223 0.184 0.000 2.354 469 L HA 0.995 5.335 4.340 -0.000 0.000 0.264 469 L C -1.181 175.670 176.870 -0.032 0.000 1.008 469 L CA -0.243 54.745 54.840 0.247 0.000 0.819 469 L CB 2.227 44.453 42.059 0.278 0.000 1.339 469 L HN 0.724 nan 8.230 nan 0.000 0.420 470 A N 2.385 124.924 122.820 -0.468 0.000 2.457 470 A HA 0.815 5.135 4.320 -0.000 0.000 0.283 470 A C -0.737 176.423 177.584 -0.706 0.000 1.166 470 A CA -0.223 51.342 52.037 -0.787 0.000 0.740 470 A CB 0.787 18.900 19.000 -1.477 0.000 1.181 470 A HN 0.742 nan 8.150 nan 0.000 0.446 471 T N 0.517 114.733 114.554 -0.564 0.000 2.696 471 T HA 0.602 4.952 4.350 -0.000 0.000 0.291 471 T C -0.611 173.814 174.700 -0.458 0.000 1.095 471 T CA -0.496 61.328 62.100 -0.460 0.000 1.026 471 T CB 0.602 69.317 68.868 -0.254 0.000 1.390 471 T HN 0.327 nan 8.240 nan 0.000 0.513 472 F N 1.771 121.593 119.950 -0.213 0.000 2.412 472 F HA 0.550 5.077 4.527 -0.000 0.000 0.348 472 F C 0.600 176.381 175.800 -0.032 0.000 1.102 472 F CA -0.639 57.299 58.000 -0.103 0.000 1.196 472 F CB 0.568 39.552 39.000 -0.026 0.000 1.144 472 F HN 0.327 nan 8.300 nan 0.000 0.541 473 I N 0.078 120.755 120.570 0.178 0.000 2.740 473 I HA 0.686 4.856 4.170 -0.000 0.000 0.303 473 I C -1.444 174.892 176.117 0.367 0.000 1.044 473 I CA -0.698 60.732 61.300 0.216 0.000 1.064 473 I CB 2.327 40.237 38.000 -0.150 0.000 1.249 473 I HN 0.368 nan 8.210 nan 0.000 0.433 474 D N 2.086 122.828 120.400 0.571 0.000 2.609 474 D HA 0.231 4.871 4.640 -0.000 0.000 0.239 474 D C 0.364 176.958 176.300 0.490 0.000 1.229 474 D CA -0.244 54.071 54.000 0.525 0.000 0.808 474 D CB 2.682 43.708 40.800 0.377 0.000 1.448 474 D HN 0.712 nan 8.370 nan 0.000 0.433 475 S N 0.050 115.900 115.700 0.250 0.000 2.522 475 S HA 0.279 4.749 4.470 -0.000 0.000 0.227 475 S C 0.750 175.351 174.600 0.001 0.000 0.986 475 S CA 0.106 58.316 58.200 0.016 0.000 0.929 475 S CB 0.217 63.351 63.200 -0.109 0.000 0.769 475 S HN 0.531 nan 8.310 nan 0.000 0.529 476 A N 1.088 123.888 122.820 -0.034 0.000 2.342 476 A HA 0.836 5.156 4.320 -0.000 0.000 0.323 476 A C 0.222 177.611 177.584 -0.325 0.000 1.125 476 A CA -0.508 51.398 52.037 -0.218 0.000 0.785 476 A CB 0.857 19.805 19.000 -0.087 0.000 1.221 476 A HN 0.735 nan 8.150 nan 0.000 0.463 477 A N 2.060 124.484 122.820 -0.660 0.000 2.598 477 A HA 0.320 4.640 4.320 -0.000 0.000 0.239 477 A C 0.157 177.722 177.584 -0.031 0.000 1.032 477 A CA 0.449 52.276 52.037 -0.350 0.000 0.760 477 A CB -0.564 18.316 19.000 -0.200 0.000 0.946 477 A HN 0.725 nan 8.150 nan 0.000 0.512 478 I N 3.078 123.698 120.570 0.083 0.000 2.322 478 I HA 0.066 4.236 4.170 -0.000 0.000 0.292 478 I C 0.549 176.688 176.117 0.037 0.000 1.060 478 I CA -0.103 61.254 61.300 0.095 0.000 1.309 478 I CB 0.535 38.569 38.000 0.057 0.000 1.415 478 I HN 0.583 nan 8.210 nan 0.000 0.492 479 T N 9.038 123.625 114.554 0.055 0.000 2.758 479 T HA 0.016 4.366 4.350 -0.000 0.000 0.281 479 T C -1.378 173.318 174.700 -0.006 0.000 0.963 479 T CA -0.575 61.544 62.100 0.033 0.000 1.201 479 T CB 0.442 69.343 68.868 0.056 0.000 0.906 479 T HN 0.439 nan 8.240 nan 0.000 0.528 480 P HA -0.146 nan 4.420 nan 0.000 0.217 480 P C 1.721 179.004 177.300 -0.029 0.000 1.148 480 P CA 1.093 64.176 63.100 -0.028 0.000 0.834 480 P CB -0.011 31.687 31.700 -0.004 0.000 0.783 481 T N -5.773 108.777 114.554 -0.006 0.000 3.100 481 T HA 0.089 4.439 4.350 -0.000 0.000 0.253 481 T C 1.517 176.223 174.700 0.011 0.000 1.118 481 T CA 0.457 62.558 62.100 0.002 0.000 1.058 481 T CB -0.584 68.292 68.868 0.014 0.000 0.953 481 T HN -0.058 nan 8.240 nan 0.000 0.515 482 N N 0.728 119.438 118.700 0.017 0.000 2.245 482 N HA 0.217 4.957 4.740 -0.000 0.000 0.185 482 N C 0.555 176.066 175.510 0.002 0.000 1.036 482 N CA 0.627 53.724 53.050 0.079 0.000 0.857 482 N CB -0.094 38.507 38.487 0.191 0.000 1.015 482 N HN 0.301 nan 8.380 nan 0.000 0.436 483 M N 2.118 121.570 119.600 -0.247 0.000 2.055 483 M HA 0.175 4.655 4.480 -0.000 0.000 0.346 483 M C 0.252 176.362 176.300 -0.316 0.000 1.074 483 M CA 0.122 55.049 55.300 -0.621 0.000 1.009 483 M CB 0.082 31.698 32.600 -1.639 0.000 1.423 483 M HN 0.223 nan 8.290 nan 0.000 0.410 484 T N 0.603 115.062 114.554 -0.158 0.000 3.065 484 T HA 0.174 4.524 4.350 -0.000 0.000 0.252 484 T C 0.700 175.386 174.700 -0.023 0.000 1.099 484 T CA -0.001 62.059 62.100 -0.068 0.000 1.063 484 T CB 0.204 69.055 68.868 -0.028 0.000 0.948 484 T HN 0.580 nan 8.240 nan 0.000 0.506 485 Q N 2.209 122.014 119.800 0.007 0.000 2.386 485 Q HA 0.128 4.468 4.340 -0.000 0.000 0.282 485 Q C -1.658 174.388 176.000 0.075 0.000 1.050 485 Q CA -1.211 54.648 55.803 0.092 0.000 0.918 485 Q CB 0.956 29.847 28.738 0.255 0.000 1.266 485 Q HN 0.243 nan 8.270 nan 0.000 0.423 486 P HA -0.067 nan 4.420 nan 0.000 0.224 486 P C -0.745 176.617 177.300 0.104 0.000 1.157 486 P CA 1.066 64.218 63.100 0.086 0.000 0.799 486 P CB 0.534 32.289 31.700 0.092 0.000 0.809 487 D N -3.382 117.084 120.400 0.111 0.000 2.809 487 D HA 0.109 4.749 4.640 -0.000 0.000 0.336 487 D C -0.539 175.756 176.300 -0.009 0.000 1.367 487 D CA -0.724 53.288 54.000 0.020 0.000 0.815 487 D CB 0.305 41.180 40.800 0.126 0.000 1.381 487 D HN -0.187 nan 8.370 nan 0.000 0.471 488 V N -2.722 117.023 119.914 -0.282 0.000 2.933 488 V HA 0.423 4.543 4.120 -0.000 0.000 0.374 488 V C -0.026 175.990 176.094 -0.129 0.000 1.321 488 V CA -0.618 61.478 62.300 -0.340 0.000 1.290 488 V CB -0.745 30.511 31.823 -0.945 0.000 1.346 488 V HN 0.632 nan 8.190 nan 0.000 0.560 489 W N 0.151 121.486 121.300 0.058 0.000 2.800 489 W HA 0.191 4.851 4.660 -0.000 0.000 0.249 489 W C 1.164 177.753 176.519 0.117 0.000 1.294 489 W CA 0.074 57.467 57.345 0.081 0.000 1.402 489 W CB 0.386 29.881 29.460 0.058 0.000 1.126 489 W HN 0.391 nan 8.180 nan 0.000 0.652 490 D N 1.020 121.639 120.400 0.366 0.000 2.498 490 D HA 0.368 5.008 4.640 -0.000 0.000 0.229 490 D C -0.163 176.297 176.300 0.266 0.000 1.188 490 D CA 0.307 54.457 54.000 0.250 0.000 1.028 490 D CB -0.344 40.529 40.800 0.121 0.000 1.087 490 D HN 0.008 nan 8.370 nan 0.000 0.510 491 A N 2.179 125.155 122.820 0.260 0.000 2.557 491 A HA 0.554 4.874 4.320 -0.000 0.000 0.292 491 A C -1.721 175.998 177.584 0.225 0.000 1.139 491 A CA -0.884 51.282 52.037 0.216 0.000 0.665 491 A CB 0.641 19.742 19.000 0.168 0.000 1.285 491 A HN 0.352 nan 8.150 nan 0.000 0.433 492 L N 0.781 122.117 121.223 0.188 0.000 2.260 492 L HA 0.700 5.040 4.340 -0.000 0.000 0.289 492 L C -0.885 176.132 176.870 0.244 0.000 1.057 492 L CA -0.363 54.591 54.840 0.190 0.000 0.811 492 L CB 0.797 42.935 42.059 0.132 0.000 1.184 492 L HN 0.701 nan 8.230 nan 0.000 0.429 493 L N 5.040 126.458 121.223 0.324 0.000 2.307 493 L HA 0.643 4.983 4.340 -0.000 0.000 0.284 493 L C -0.471 176.601 176.870 0.335 0.000 1.023 493 L CA 0.311 55.395 54.840 0.408 0.000 0.810 493 L CB 1.805 44.205 42.059 0.569 0.000 1.231 493 L HN 0.667 nan 8.230 nan 0.000 0.423 494 T N 6.542 121.253 114.554 0.263 0.000 2.786 494 T HA 0.537 4.887 4.350 -0.000 0.000 0.283 494 T C -0.171 174.590 174.700 0.100 0.000 0.992 494 T CA -0.276 61.918 62.100 0.157 0.000 0.954 494 T CB 0.799 69.724 68.868 0.096 0.000 0.934 494 T HN 0.557 nan 8.240 nan 0.000 0.440 495 M N 2.490 122.119 119.600 0.049 0.000 2.300 495 M HA 0.501 4.981 4.480 -0.000 0.000 0.348 495 M C -0.345 175.876 176.300 -0.132 0.000 1.151 495 M CA -0.485 54.714 55.300 -0.169 0.000 1.046 495 M CB 1.655 34.096 32.600 -0.264 0.000 1.647 495 M HN 0.447 nan 8.290 nan 0.000 0.451 496 S N 3.439 119.029 115.700 -0.184 0.000 2.672 496 S HA 0.502 4.972 4.470 -0.000 0.000 0.291 496 S C -2.625 171.892 174.600 -0.139 0.000 1.145 496 S CA -1.237 56.892 58.200 -0.119 0.000 1.013 496 S CB 1.604 64.760 63.200 -0.074 0.000 1.017 496 S HN 0.358 nan 8.310 nan 0.000 0.487 497 P HA 0.187 nan 4.420 nan 0.000 0.268 497 P C -0.374 176.879 177.300 -0.079 0.000 1.205 497 P CA -0.150 62.891 63.100 -0.099 0.000 0.771 497 P CB 0.414 32.070 31.700 -0.073 0.000 0.858 498 L N 1.738 122.917 121.223 -0.074 0.000 3.034 498 L HA 0.349 4.689 4.340 -0.000 0.000 0.245 498 L C 0.421 177.255 176.870 -0.059 0.000 1.295 498 L CA 0.222 55.022 54.840 -0.067 0.000 1.068 498 L CB -0.051 41.961 42.059 -0.079 0.000 1.426 498 L HN 0.386 nan 8.230 nan 0.000 0.531 499 S N -0.535 115.135 115.700 -0.050 0.000 2.608 499 S HA 0.568 5.038 4.470 -0.000 0.000 0.285 499 S C -0.555 174.026 174.600 -0.032 0.000 1.108 499 S CA 0.105 58.282 58.200 -0.040 0.000 0.858 499 S CB 1.552 64.729 63.200 -0.038 0.000 1.077 499 S HN 0.108 nan 8.310 nan 0.000 0.450 500 A N 2.235 125.040 122.820 -0.025 0.000 2.606 500 A HA 0.626 4.946 4.320 -0.000 0.000 0.290 500 A C 1.069 178.648 177.584 -0.009 0.000 1.174 500 A CA 0.393 52.417 52.037 -0.021 0.000 0.958 500 A CB -0.340 18.643 19.000 -0.028 0.000 1.194 500 A HN 1.258 nan 8.150 nan 0.000 0.526 501 G N -0.752 108.046 108.800 -0.003 0.000 3.228 501 G HA2 0.346 4.306 3.960 -0.000 0.000 0.245 501 G HA3 0.346 4.306 3.960 -0.000 0.000 0.245 501 G C 0.073 174.985 174.900 0.021 0.000 1.051 501 G CA -0.051 45.054 45.100 0.009 0.000 0.809 501 G HN 0.435 nan 8.290 nan 0.000 0.531 502 E N -0.035 120.176 120.200 0.018 0.000 2.238 502 E HA 0.608 4.958 4.350 -0.000 0.000 0.267 502 E C -1.382 175.243 176.600 0.041 0.000 0.887 502 E CA -0.646 55.770 56.400 0.027 0.000 0.769 502 E CB 3.277 32.985 29.700 0.013 0.000 1.187 502 E HN -0.075 nan 8.360 nan 0.000 0.416 503 V N 1.515 121.464 119.914 0.058 0.000 2.876 503 V HA 0.478 4.598 4.120 -0.000 0.000 0.312 503 V C -0.080 176.050 176.094 0.059 0.000 1.085 503 V CA -0.651 61.696 62.300 0.078 0.000 0.945 503 V CB 2.212 34.121 31.823 0.143 0.000 1.017 503 V HN 0.920 nan 8.190 nan 0.000 0.428 504 T N 0.678 115.268 114.554 0.060 0.000 2.930 504 T HA 0.836 5.186 4.350 -0.000 0.000 0.290 504 T C -1.069 173.685 174.700 0.090 0.000 1.052 504 T CA -0.788 61.347 62.100 0.058 0.000 1.017 504 T CB 1.953 70.843 68.868 0.036 0.000 1.137 504 T HN 0.382 nan 8.240 nan 0.000 0.511 505 V N 2.422 122.392 119.914 0.094 0.000 2.419 505 V HA 0.492 4.612 4.120 -0.000 0.000 0.287 505 V C -0.088 176.076 176.094 0.116 0.000 1.017 505 V CA -1.054 61.329 62.300 0.138 0.000 0.844 505 V CB 1.015 32.895 31.823 0.096 0.000 1.011 505 V HN 1.078 nan 8.190 nan 0.000 0.429 506 K N 3.892 124.395 120.400 0.171 0.000 3.150 506 K HA -0.242 4.078 4.320 -0.000 0.000 0.267 506 K C 1.093 177.778 176.600 0.143 0.000 1.028 506 K CA 0.723 57.081 56.287 0.119 0.000 0.753 506 K CB -1.336 31.145 32.500 -0.032 0.000 1.288 506 K HN 1.545 nan 8.250 nan 0.000 0.473 507 G N -1.786 107.120 108.800 0.177 0.000 2.254 507 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.225 507 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.225 507 G C 0.019 174.982 174.900 0.105 0.000 1.003 507 G CA 0.136 45.360 45.100 0.207 0.000 0.622 507 G HN 1.019 nan 8.290 nan 0.000 0.507 508 A N -0.096 122.771 122.820 0.079 0.000 2.401 508 A HA 0.853 5.173 4.320 -0.000 0.000 0.310 508 A C 0.162 177.774 177.584 0.047 0.000 1.075 508 A CA 0.024 52.096 52.037 0.058 0.000 0.746 508 A CB 1.927 20.961 19.000 0.058 0.000 1.277 508 A HN 1.261 nan 8.150 nan 0.000 0.425 509 V N 1.158 121.097 119.914 0.042 0.000 2.872 509 V HA 0.367 4.487 4.120 -0.000 0.000 0.307 509 V C 0.419 176.533 176.094 0.032 0.000 1.072 509 V CA 0.329 62.651 62.300 0.037 0.000 1.148 509 V CB 0.880 32.727 31.823 0.038 0.000 0.954 509 V HN 1.177 nan 8.190 nan 0.000 0.490 510 V N 1.060 120.991 119.914 0.028 0.000 2.841 510 V HA 0.558 4.678 4.120 -0.000 0.000 0.310 510 V C 0.549 176.653 176.094 0.016 0.000 1.090 510 V CA 0.118 62.429 62.300 0.017 0.000 0.930 510 V CB 1.670 33.498 31.823 0.008 0.000 1.014 510 V HN 0.857 nan 8.190 nan 0.000 0.425 511 S N 1.444 117.151 115.700 0.011 0.000 2.489 511 S HA 0.159 4.629 4.470 -0.000 0.000 0.228 511 S C 0.379 174.984 174.600 0.009 0.000 0.995 511 S CA 0.662 58.870 58.200 0.012 0.000 0.934 511 S CB -0.588 62.618 63.200 0.011 0.000 0.771 511 S HN 1.175 nan 8.310 nan 0.000 0.522 512 E N -0.540 119.655 120.200 -0.007 0.000 2.407 512 E HA 0.629 4.979 4.350 -0.000 0.000 0.279 512 E C -1.779 174.775 176.600 -0.077 0.000 1.012 512 E CA -1.219 55.165 56.400 -0.027 0.000 0.800 512 E CB 1.716 31.406 29.700 -0.018 0.000 1.276 512 E HN -0.007 nan 8.360 nan 0.000 0.452 513 V N 0.663 120.484 119.914 -0.156 0.000 2.864 513 V HA 0.431 4.551 4.120 -0.000 0.000 0.314 513 V C -0.523 175.422 176.094 -0.248 0.000 1.073 513 V CA -0.961 61.172 62.300 -0.278 0.000 0.956 513 V CB 1.956 33.389 31.823 -0.649 0.000 1.023 513 V HN 0.605 nan 8.190 nan 0.000 0.435 514 V N 4.722 124.518 119.914 -0.197 0.000 2.250 514 V HA 0.233 4.353 4.120 -0.000 0.000 0.268 514 V C -1.621 174.400 176.094 -0.123 0.000 1.043 514 V CA -1.307 60.923 62.300 -0.116 0.000 0.814 514 V CB 0.967 32.758 31.823 -0.054 0.000 1.072 514 V HN 0.739 nan 8.190 nan 0.000 0.451 515 P HA -0.308 nan 4.420 nan 0.000 0.219 515 P C 1.730 179.058 177.300 0.048 0.000 1.161 515 P CA 2.364 65.437 63.100 -0.045 0.000 0.909 515 P CB 0.281 32.059 31.700 0.129 0.000 0.793 516 A N -0.400 122.474 122.820 0.090 0.000 2.024 516 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 516 A C 1.975 179.597 177.584 0.064 0.000 1.164 516 A CA 1.542 53.652 52.037 0.122 0.000 0.643 516 A CB -0.922 18.148 19.000 0.117 0.000 0.806 516 A HN 0.157 nan 8.150 nan 0.000 0.451 517 E N -0.229 119.989 120.200 0.030 0.000 2.481 517 E HA 0.044 4.394 4.350 -0.000 0.000 0.195 517 E C 1.703 178.324 176.600 0.035 0.000 1.047 517 E CA 0.199 56.613 56.400 0.024 0.000 0.867 517 E CB -0.166 29.539 29.700 0.008 0.000 0.858 517 E HN 0.685 nan 8.360 nan 0.000 0.513 518 L N 0.594 121.835 121.223 0.029 0.000 2.179 518 L HA -0.008 4.332 4.340 -0.000 0.000 0.208 518 L C 0.851 177.750 176.870 0.047 0.000 1.096 518 L CA 0.139 55.020 54.840 0.067 0.000 0.779 518 L CB -0.061 42.006 42.059 0.013 0.000 0.922 518 L HN 0.042 nan 8.230 nan 0.000 0.443 519 I N 1.660 122.221 120.570 -0.016 0.000 2.906 519 I HA -0.088 4.082 4.170 -0.000 0.000 0.301 519 I C 1.559 177.682 176.117 0.010 0.000 1.221 519 I CA 1.026 62.294 61.300 -0.053 0.000 1.435 519 I CB -0.830 37.148 38.000 -0.037 0.000 1.345 519 I HN 0.414 nan 8.210 nan 0.000 0.558 520 G N 5.034 113.840 108.800 0.009 0.000 2.258 520 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.274 520 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.274 520 G C 0.723 175.664 174.900 0.068 0.000 1.021 520 G CA 0.777 45.901 45.100 0.040 0.000 0.798 520 G HN 0.853 nan 8.290 nan 0.000 0.507 521 S N -1.914 113.863 115.700 0.127 0.000 2.578 521 S HA 0.523 4.993 4.470 -0.000 0.000 0.231 521 S C 0.193 174.826 174.600 0.056 0.000 0.994 521 S CA -0.427 57.826 58.200 0.088 0.000 0.956 521 S CB 0.460 63.698 63.200 0.062 0.000 0.870 521 S HN 0.365 nan 8.310 nan 0.000 0.494 522 Y N 2.838 123.133 120.300 -0.008 0.000 2.364 522 Y HA 0.550 5.100 4.550 -0.000 0.000 0.340 522 Y C 0.846 176.747 175.900 0.001 0.000 0.975 522 Y CA -0.975 57.126 58.100 0.001 0.000 1.089 522 Y CB 1.671 40.133 38.460 0.004 0.000 1.192 522 Y HN 0.216 nan 8.280 nan 0.000 0.454 523 T N 0.071 114.686 114.554 0.101 0.000 2.902 523 T HA 0.300 4.650 4.350 -0.000 0.000 0.280 523 T C -2.113 172.645 174.700 0.097 0.000 0.992 523 T CA -2.100 60.042 62.100 0.069 0.000 1.015 523 T CB 1.652 70.534 68.868 0.024 0.000 1.044 523 T HN 0.281 nan 8.240 nan 0.000 0.520 524 P HA -0.054 nan 4.420 nan 0.000 0.216 524 P C 1.269 178.610 177.300 0.068 0.000 1.150 524 P CA 0.984 64.121 63.100 0.062 0.000 0.837 524 P CB 0.069 31.791 31.700 0.037 0.000 0.786 525 E N -0.734 119.497 120.200 0.051 0.000 2.038 525 E HA -0.138 4.212 4.350 -0.000 0.000 0.195 525 E C 2.175 178.817 176.600 0.070 0.000 1.000 525 E CA 1.640 58.067 56.400 0.044 0.000 0.803 525 E CB -1.021 28.688 29.700 0.015 0.000 0.750 525 E HN 0.121 nan 8.360 nan 0.000 0.448 526 S N 0.368 116.112 115.700 0.073 0.000 2.368 526 S HA -0.137 4.333 4.470 -0.000 0.000 0.225 526 S C 1.824 176.566 174.600 0.235 0.000 1.030 526 S CA 0.867 59.126 58.200 0.098 0.000 0.999 526 S CB -0.302 62.897 63.200 -0.002 0.000 0.844 526 S HN 0.142 nan 8.310 nan 0.000 0.459 527 L N 2.984 124.376 121.223 0.282 0.000 1.994 527 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 527 L C 2.025 179.008 176.870 0.187 0.000 1.071 527 L CA 1.750 56.748 54.840 0.264 0.000 0.745 527 L CB -0.906 41.238 42.059 0.140 0.000 0.892 527 L HN 0.296 nan 8.230 nan 0.000 0.431 528 N N -0.390 118.397 118.700 0.146 0.000 2.205 528 N HA -0.189 4.551 4.740 -0.000 0.000 0.186 528 N C 1.509 177.173 175.510 0.257 0.000 1.015 528 N CA 1.372 54.505 53.050 0.138 0.000 0.862 528 N CB 0.085 38.627 38.487 0.093 0.000 0.986 528 N HN 0.516 nan 8.380 nan 0.000 0.429 529 A N 0.413 123.394 122.820 0.268 0.000 2.178 529 A HA 0.085 4.405 4.320 -0.000 0.000 0.211 529 A C 1.024 178.909 177.584 0.502 0.000 1.157 529 A CA 0.147 52.397 52.037 0.355 0.000 0.780 529 A CB -0.278 18.802 19.000 0.133 0.000 0.828 529 A HN 0.456 nan 8.150 nan 0.000 0.476 530 S N -0.168 115.773 115.700 0.400 0.000 2.576 530 S HA 0.449 4.919 4.470 -0.000 0.000 0.272 530 S C 0.131 174.921 174.600 0.318 0.000 1.352 530 S CA -0.514 57.901 58.200 0.358 0.000 1.021 530 S CB 0.195 63.577 63.200 0.303 0.000 0.887 530 S HN 0.300 nan 8.310 nan 0.000 0.542 531 L N 1.715 123.008 121.223 0.117 0.000 2.453 531 L HA 0.286 4.626 4.340 -0.000 0.000 0.261 531 L C -1.441 175.446 176.870 0.027 0.000 1.179 531 L CA -2.114 52.683 54.840 -0.072 0.000 0.813 531 L CB 0.172 42.071 42.059 -0.266 0.000 1.110 531 L HN 0.467 nan 8.230 nan 0.000 0.466 532 P HA -0.142 nan 4.420 nan 0.000 0.220 532 P C 0.101 177.388 177.300 -0.022 0.000 1.144 532 P CA 1.110 64.206 63.100 -0.008 0.000 0.800 532 P CB -0.040 31.633 31.700 -0.045 0.000 0.772 533 N N -1.778 116.903 118.700 -0.031 0.000 2.320 533 N HA 0.020 4.760 4.740 -0.000 0.000 0.237 533 N C -0.265 175.262 175.510 0.028 0.000 1.129 533 N CA -0.206 52.838 53.050 -0.010 0.000 0.854 533 N CB -0.752 37.722 38.487 -0.022 0.000 1.083 533 N HN 0.001 nan 8.380 nan 0.000 0.504 534 D N 0.239 120.664 120.400 0.042 0.000 2.345 534 D HA 0.197 4.837 4.640 -0.000 0.000 0.247 534 D C 0.927 177.281 176.300 0.089 0.000 1.108 534 D CA -0.086 53.962 54.000 0.081 0.000 0.894 534 D CB 1.665 42.529 40.800 0.107 0.000 1.203 534 D HN 0.233 nan 8.370 nan 0.000 0.430 535 A N 4.033 126.933 122.820 0.133 0.000 1.940 535 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 535 A C 2.091 179.763 177.584 0.148 0.000 1.176 535 A CA 2.132 54.301 52.037 0.219 0.000 0.631 535 A CB -0.582 18.484 19.000 0.111 0.000 0.814 535 A HN 0.686 nan 8.150 nan 0.000 0.446 536 A N -0.027 122.745 122.820 -0.080 0.000 1.865 536 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 536 A C 2.218 179.700 177.584 -0.169 0.000 1.191 536 A CA 1.670 53.518 52.037 -0.315 0.000 0.623 536 A CB -0.571 17.840 19.000 -0.982 0.000 0.826 536 A HN 0.559 nan 8.150 nan 0.000 0.444 537 R N -1.209 119.216 120.500 -0.124 0.000 2.103 537 R HA -0.216 4.124 4.340 -0.000 0.000 0.242 537 R C 2.387 178.649 176.300 -0.063 0.000 1.142 537 R CA 1.585 57.637 56.100 -0.080 0.000 0.960 537 R CB -1.039 29.235 30.300 -0.045 0.000 0.858 537 R HN 0.697 nan 8.270 nan 0.000 0.439 538 C N 0.454 119.736 119.300 -0.030 0.000 2.453 538 C HA -0.059 4.401 4.460 -0.000 0.000 0.277 538 C C 2.661 177.575 174.990 -0.127 0.000 1.262 538 C CA 0.756 59.719 59.018 -0.093 0.000 1.718 538 C CB -0.661 27.023 27.740 -0.095 0.000 2.031 538 C HN 0.507 nan 8.230 nan 0.000 0.480 539 M N 1.069 120.677 119.600 0.014 0.000 2.106 539 M HA -0.113 4.367 4.480 -0.000 0.000 0.259 539 M C 1.731 178.011 176.300 -0.034 0.000 1.068 539 M CA 2.064 57.402 55.300 0.064 0.000 1.100 539 M CB -0.791 31.887 32.600 0.132 0.000 1.351 539 M HN 0.455 nan 8.290 nan 0.000 0.404 540 I N -0.191 120.338 120.570 -0.068 0.000 2.286 540 I HA -0.293 3.877 4.170 -0.000 0.000 0.248 540 I C 1.613 177.699 176.117 -0.052 0.000 1.115 540 I CA 1.314 62.572 61.300 -0.071 0.000 1.392 540 I CB -0.824 37.122 38.000 -0.090 0.000 1.065 540 I HN 0.283 nan 8.210 nan 0.000 0.418 541 D N 0.500 120.861 120.400 -0.066 0.000 2.224 541 D HA -0.082 4.558 4.640 -0.000 0.000 0.205 541 D C 2.323 178.596 176.300 -0.045 0.000 0.965 541 D CA 0.874 54.837 54.000 -0.062 0.000 0.852 541 D CB -0.082 40.672 40.800 -0.076 0.000 0.947 541 D HN 0.296 nan 8.370 nan 0.000 0.494 542 R N 0.474 120.944 120.500 -0.049 0.000 2.075 542 R HA 0.096 4.436 4.340 -0.000 0.000 0.226 542 R C 2.241 178.598 176.300 0.094 0.000 1.114 542 R CA 0.944 57.037 56.100 -0.013 0.000 0.972 542 R CB -0.085 30.180 30.300 -0.058 0.000 0.869 542 R HN 0.042 nan 8.270 nan 0.000 0.437 543 A N 1.048 123.952 122.820 0.140 0.000 1.933 543 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 543 A C 2.116 179.867 177.584 0.278 0.000 1.175 543 A CA 1.893 54.123 52.037 0.321 0.000 0.628 543 A CB -0.535 18.609 19.000 0.241 0.000 0.814 543 A HN 0.434 nan 8.150 nan 0.000 0.444 544 S N -0.052 115.692 115.700 0.072 0.000 2.442 544 S HA -0.146 4.324 4.470 -0.000 0.000 0.236 544 S C 1.661 176.258 174.600 -0.005 0.000 1.007 544 S CA 1.420 59.594 58.200 -0.044 0.000 0.965 544 S CB -0.307 62.845 63.200 -0.081 0.000 0.773 544 S HN 0.633 nan 8.310 nan 0.000 0.504 545 K N 0.463 120.890 120.400 0.045 0.000 2.217 545 K HA 0.144 4.464 4.320 -0.000 0.000 0.202 545 K C 1.758 178.406 176.600 0.080 0.000 1.051 545 K CA 0.846 57.157 56.287 0.040 0.000 0.952 545 K CB -0.175 32.346 32.500 0.034 0.000 0.736 545 K HN 0.341 nan 8.250 nan 0.000 0.453 546 I N 1.051 121.722 120.570 0.168 0.000 2.286 546 I HA -0.160 4.010 4.170 -0.000 0.000 0.245 546 I C 2.456 178.715 176.117 0.236 0.000 1.104 546 I CA 1.074 62.511 61.300 0.228 0.000 1.397 546 I CB -1.248 36.976 38.000 0.373 0.000 1.072 546 I HN 0.062 nan 8.210 nan 0.000 0.417 547 A N 0.490 123.422 122.820 0.186 0.000 1.908 547 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 547 A C 2.357 179.930 177.584 -0.019 0.000 1.181 547 A CA 1.927 53.947 52.037 -0.029 0.000 0.627 547 A CB -0.728 17.963 19.000 -0.516 0.000 0.818 547 A HN 0.494 nan 8.150 nan 0.000 0.445 548 E N -0.271 119.915 120.200 -0.023 0.000 2.077 548 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 548 E C 2.158 178.761 176.600 0.006 0.000 0.989 548 E CA 1.042 57.429 56.400 -0.021 0.000 0.800 548 E CB -0.252 29.435 29.700 -0.022 0.000 0.746 548 E HN 0.559 nan 8.360 nan 0.000 0.452 549 A N 1.064 123.902 122.820 0.030 0.000 1.858 549 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 549 A C 2.165 179.771 177.584 0.037 0.000 1.190 549 A CA 1.446 53.503 52.037 0.033 0.000 0.617 549 A CB -0.684 18.343 19.000 0.044 0.000 0.827 549 A HN 0.326 nan 8.150 nan 0.000 0.443 550 I N -0.793 119.816 120.570 0.064 0.000 2.264 550 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 550 I C 2.491 178.632 176.117 0.040 0.000 1.111 550 I CA 1.845 63.184 61.300 0.066 0.000 1.382 550 I CB -0.208 37.865 38.000 0.121 0.000 1.060 550 I HN 0.226 nan 8.210 nan 0.000 0.418 551 K N 1.531 121.946 120.400 0.025 0.000 2.155 551 K HA -0.032 4.288 4.320 -0.000 0.000 0.203 551 K C 1.829 178.429 176.600 -0.001 0.000 1.052 551 K CA 1.214 57.504 56.287 0.005 0.000 0.948 551 K CB -0.252 32.240 32.500 -0.013 0.000 0.728 551 K HN 0.261 nan 8.250 nan 0.000 0.448 552 I N 0.695 121.265 120.570 0.000 0.000 2.361 552 I HA -0.240 3.930 4.170 -0.000 0.000 0.251 552 I C 2.108 178.224 176.117 -0.002 0.000 1.133 552 I CA 1.690 62.987 61.300 -0.004 0.000 1.413 552 I CB -0.217 37.781 38.000 -0.003 0.000 1.073 552 I HN 0.367 nan 8.210 nan 0.000 0.424 553 D N -0.079 120.324 120.400 0.004 0.000 2.338 553 D HA -0.090 4.550 4.640 -0.000 0.000 0.208 553 D C 0.504 176.805 176.300 0.002 0.000 0.997 553 D CA 0.402 54.405 54.000 0.004 0.000 0.880 553 D CB 0.382 41.188 40.800 0.009 0.000 0.980 553 D HN 0.126 nan 8.370 nan 0.000 0.509 554 D N 1.213 121.617 120.400 0.006 0.000 2.274 554 D HA 0.065 4.705 4.640 -0.000 0.000 0.239 554 D C -0.487 175.808 176.300 -0.009 0.000 1.104 554 D CA -0.255 53.746 54.000 0.001 0.000 0.840 554 D CB 1.406 42.215 40.800 0.015 0.000 1.100 554 D HN 0.162 nan 8.370 nan 0.000 0.477 555 D N 1.629 122.017 120.400 -0.020 0.000 2.670 555 D HA 0.185 4.825 4.640 -0.000 0.000 0.255 555 D C 0.137 176.414 176.300 -0.038 0.000 1.286 555 D CA -0.537 53.447 54.000 -0.026 0.000 0.830 555 D CB 0.025 40.808 40.800 -0.028 0.000 1.065 555 D HN 0.202 nan 8.370 nan 0.000 0.486 556 A N 0.234 123.030 122.820 -0.040 0.000 2.440 556 A HA 0.585 4.905 4.320 -0.000 0.000 0.251 556 A C 0.976 178.536 177.584 -0.041 0.000 1.089 556 A CA 0.091 52.093 52.037 -0.057 0.000 0.779 556 A CB 0.371 19.338 19.000 -0.055 0.000 1.022 556 A HN 0.321 nan 8.150 nan 0.000 0.492 557 G N 1.131 109.902 108.800 -0.048 0.000 2.537 557 G HA2 0.553 4.513 3.960 -0.000 0.000 0.297 557 G HA3 0.553 4.513 3.960 -0.000 0.000 0.297 557 G C -2.771 172.115 174.900 -0.023 0.000 1.310 557 G CA -1.600 43.481 45.100 -0.032 0.000 1.027 557 G HN 0.543 nan 8.290 nan 0.000 0.505 558 P HA 0.150 nan 4.420 nan 0.000 0.261 558 P C -0.533 176.766 177.300 -0.001 0.000 1.183 558 P CA 0.519 63.617 63.100 -0.003 0.000 0.761 558 P CB 0.463 32.162 31.700 -0.002 0.000 0.785 559 D N 0.079 120.485 120.400 0.010 0.000 3.046 559 D HA -0.176 4.464 4.640 -0.000 0.000 0.210 559 D C -0.333 175.981 176.300 0.022 0.000 1.124 559 D CA 1.262 55.274 54.000 0.020 0.000 0.986 559 D CB -1.228 39.585 40.800 0.020 0.000 1.118 559 D HN 0.572 nan 8.370 nan 0.000 0.416 560 E N 0.192 120.386 120.200 -0.011 0.000 2.227 560 E HA 0.326 4.676 4.350 -0.000 0.000 0.282 560 E C 0.548 177.116 176.600 -0.053 0.000 1.015 560 E CA -0.854 55.505 56.400 -0.068 0.000 0.823 560 E CB 0.727 30.340 29.700 -0.144 0.000 1.081 560 E HN 0.326 nan 8.360 nan 0.000 0.396 561 Y N 1.285 121.588 120.300 0.006 0.000 2.335 561 Y HA 0.367 4.917 4.550 -0.000 0.000 0.348 561 Y C 0.291 176.195 175.900 0.007 0.000 1.280 561 Y CA -0.640 57.463 58.100 0.005 0.000 1.504 561 Y CB 0.555 39.016 38.460 0.002 0.000 1.366 561 Y HN 0.454 nan 8.280 nan 0.000 0.621 562 S N -1.343 114.503 115.700 0.242 0.000 2.615 562 S HA 0.361 4.831 4.470 -0.000 0.000 0.268 562 S C -2.816 171.877 174.600 0.156 0.000 1.146 562 S CA -1.209 57.069 58.200 0.130 0.000 0.818 562 S CB 1.459 64.676 63.200 0.027 0.000 1.111 562 S HN 0.341 nan 8.310 nan 0.000 0.465 563 P HA 0.042 nan 4.420 nan 0.000 0.223 563 P C 0.541 177.869 177.300 0.047 0.000 1.144 563 P CA 0.964 64.107 63.100 0.072 0.000 0.783 563 P CB -0.102 31.629 31.700 0.051 0.000 0.771 564 N N -1.810 116.920 118.700 0.050 0.000 2.280 564 N HA 0.018 4.758 4.740 -0.000 0.000 0.192 564 N C 1.319 176.855 175.510 0.044 0.000 1.109 564 N CA 0.645 53.718 53.050 0.039 0.000 0.855 564 N CB 0.162 38.678 38.487 0.048 0.000 0.974 564 N HN 0.236 nan 8.380 nan 0.000 0.482 565 S N -0.187 115.548 115.700 0.059 0.000 2.545 565 S HA -0.022 4.448 4.470 -0.000 0.000 0.232 565 S C 2.053 176.679 174.600 0.043 0.000 1.070 565 S CA 0.325 58.561 58.200 0.060 0.000 0.923 565 S CB -0.664 62.584 63.200 0.081 0.000 0.806 565 S HN 0.017 nan 8.310 nan 0.000 0.506 566 V N 0.488 120.431 119.914 0.048 0.000 2.568 566 V HA 0.041 4.161 4.120 -0.000 0.000 0.253 566 V C -0.650 175.441 176.094 -0.006 0.000 1.072 566 V CA 1.355 63.666 62.300 0.018 0.000 1.084 566 V CB -2.487 29.342 31.823 0.011 0.000 0.676 566 V HN 0.295 nan 8.190 nan 0.000 0.469 567 P HA -0.082 nan 4.420 nan 0.000 0.216 567 P C 1.890 179.170 177.300 -0.033 0.000 1.150 567 P CA 1.662 64.742 63.100 -0.034 0.000 0.837 567 P CB -0.079 31.589 31.700 -0.054 0.000 0.786 568 I N -0.983 119.574 120.570 -0.023 0.000 2.233 568 I HA -0.232 3.938 4.170 -0.000 0.000 0.243 568 I C 2.672 178.781 176.117 -0.014 0.000 1.093 568 I CA 1.274 62.565 61.300 -0.015 0.000 1.380 568 I CB -0.650 37.350 38.000 0.000 0.000 1.067 568 I HN -0.016 nan 8.210 nan 0.000 0.413 569 Q N 1.060 120.853 119.800 -0.012 0.000 2.152 569 Q HA -0.216 4.124 4.340 -0.000 0.000 0.206 569 Q C 2.190 178.172 176.000 -0.029 0.000 0.985 569 Q CA 2.067 57.857 55.803 -0.021 0.000 0.863 569 Q CB -0.284 28.443 28.738 -0.020 0.000 0.904 569 Q HN 0.601 nan 8.270 nan 0.000 0.422 570 G N 0.221 109.005 108.800 -0.027 0.000 2.421 570 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.216 570 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.216 570 G C 1.325 176.212 174.900 -0.022 0.000 1.171 570 G CA 0.606 45.690 45.100 -0.026 0.000 0.775 570 G HN 0.290 nan 8.290 nan 0.000 0.543 571 Q N 0.229 120.016 119.800 -0.021 0.000 2.084 571 Q HA 0.033 4.373 4.340 -0.000 0.000 0.202 571 Q C 2.802 178.794 176.000 -0.014 0.000 0.978 571 Q CA 0.750 56.544 55.803 -0.015 0.000 0.844 571 Q CB -0.580 28.151 28.738 -0.012 0.000 0.898 571 Q HN 0.503 nan 8.270 nan 0.000 0.426 572 L N 0.143 121.354 121.223 -0.021 0.000 2.046 572 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 572 L C 2.494 179.337 176.870 -0.045 0.000 1.077 572 L CA 1.088 55.910 54.840 -0.030 0.000 0.747 572 L CB -0.773 41.263 42.059 -0.037 0.000 0.896 572 L HN 0.133 nan 8.230 nan 0.000 0.432 573 A N 0.402 123.193 122.820 -0.048 0.000 1.892 573 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 573 A C 2.156 179.729 177.584 -0.019 0.000 1.188 573 A CA 1.744 53.749 52.037 -0.053 0.000 0.631 573 A CB -0.535 18.442 19.000 -0.038 0.000 0.822 573 A HN 0.300 nan 8.150 nan 0.000 0.447 574 I N -0.536 120.031 120.570 -0.006 0.000 2.286 574 I HA -0.116 4.054 4.170 -0.000 0.000 0.245 574 I C 2.721 178.846 176.117 0.013 0.000 1.104 574 I CA 1.676 62.982 61.300 0.011 0.000 1.397 574 I CB -1.404 36.600 38.000 0.007 0.000 1.072 574 I HN 0.426 nan 8.210 nan 0.000 0.417 575 S N 1.381 117.083 115.700 0.004 0.000 2.365 575 S HA -0.268 4.202 4.470 -0.000 0.000 0.225 575 S C 1.929 176.536 174.600 0.013 0.000 1.039 575 S CA 2.106 60.311 58.200 0.008 0.000 1.033 575 S CB -0.289 62.913 63.200 0.003 0.000 0.887 575 S HN 0.681 nan 8.310 nan 0.000 0.447 576 Q N -0.092 119.709 119.800 0.002 0.000 2.488 576 Q HA 0.096 4.436 4.340 -0.000 0.000 0.211 576 Q C 1.783 177.817 176.000 0.056 0.000 0.967 576 Q CA 0.913 56.722 55.803 0.011 0.000 0.926 576 Q CB -0.248 28.467 28.738 -0.037 0.000 0.992 576 Q HN 0.537 nan 8.270 nan 0.000 0.506 577 L N -0.008 121.251 121.223 0.059 0.000 2.357 577 L HA 0.163 4.503 4.340 -0.000 0.000 0.211 577 L C 0.843 177.744 176.870 0.050 0.000 1.075 577 L CA -0.211 54.675 54.840 0.077 0.000 0.830 577 L CB -0.041 42.066 42.059 0.081 0.000 0.996 577 L HN 0.169 nan 8.230 nan 0.000 0.467 578 E N 1.747 121.971 120.200 0.039 0.000 2.534 578 E HA -0.032 4.318 4.350 -0.000 0.000 0.264 578 E C -0.206 176.415 176.600 0.036 0.000 0.981 578 E CA 0.451 56.871 56.400 0.033 0.000 0.948 578 E CB 0.567 30.285 29.700 0.029 0.000 0.934 578 E HN 0.058 nan 8.360 nan 0.000 0.459 579 T N 2.539 117.114 114.554 0.034 0.000 2.752 579 T HA 0.391 4.741 4.350 -0.000 0.000 0.295 579 T C 0.542 175.272 174.700 0.050 0.000 0.923 579 T CA -0.165 61.958 62.100 0.037 0.000 1.112 579 T CB 1.123 70.012 68.868 0.034 0.000 0.884 579 T HN 0.556 nan 8.240 nan 0.000 0.525 580 G N 1.579 110.414 108.800 0.058 0.000 3.392 580 G HA2 0.583 4.543 3.960 -0.000 0.000 0.185 580 G HA3 0.583 4.543 3.960 -0.000 0.000 0.185 580 G C -1.622 173.369 174.900 0.151 0.000 1.206 580 G CA -0.442 44.713 45.100 0.092 0.000 0.776 580 G HN 0.557 nan 8.290 nan 0.000 0.697 581 Y N -0.484 119.823 120.300 0.012 0.000 2.562 581 Y HA 0.533 5.083 4.550 -0.000 0.000 0.345 581 Y C 0.296 176.202 175.900 0.011 0.000 1.045 581 Y CA 0.366 58.472 58.100 0.010 0.000 1.028 581 Y CB 1.899 40.364 38.460 0.008 0.000 1.297 581 Y HN 1.663 nan 8.280 nan 0.000 0.463 582 G N 1.080 109.578 108.800 -0.504 0.000 2.655 582 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.680 582 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.680 582 G C -1.878 172.919 174.900 -0.172 0.000 1.302 582 G CA -0.726 44.232 45.100 -0.236 0.000 0.872 582 G HN 0.898 nan 8.290 nan 0.000 0.540 583 V N 1.822 121.677 119.914 -0.097 0.000 2.421 583 V HA 0.301 4.421 4.120 -0.000 0.000 0.271 583 V C 1.457 177.533 176.094 -0.030 0.000 1.031 583 V CA 0.437 62.699 62.300 -0.063 0.000 1.032 583 V CB 0.737 32.538 31.823 -0.038 0.000 1.009 583 V HN 0.823 nan 8.190 nan 0.000 0.477 584 R N 5.043 125.529 120.500 -0.024 0.000 2.594 584 R HA 0.548 4.888 4.340 -0.000 0.000 0.272 584 R C -0.771 175.547 176.300 0.030 0.000 1.074 584 R CA -0.209 55.896 56.100 0.008 0.000 1.105 584 R CB 0.550 30.858 30.300 0.014 0.000 1.008 584 R HN 0.669 nan 8.270 nan 0.000 0.472 585 I N 2.974 123.571 120.570 0.046 0.000 2.769 585 I HA 0.321 4.491 4.170 -0.000 0.000 0.298 585 I C -1.291 174.889 176.117 0.106 0.000 1.128 585 I CA -0.948 60.390 61.300 0.063 0.000 1.031 585 I CB 2.198 40.212 38.000 0.024 0.000 1.235 585 I HN 0.536 nan 8.210 nan 0.000 0.423 586 F N 5.288 125.236 119.950 -0.005 0.000 2.460 586 F HA 0.500 5.027 4.527 -0.000 0.000 0.341 586 F C -0.642 175.157 175.800 -0.001 0.000 1.130 586 F CA -0.441 57.557 58.000 -0.003 0.000 0.962 586 F CB 0.943 39.940 39.000 -0.005 0.000 1.171 586 F HN 0.325 nan 8.300 nan 0.000 0.436 587 N N 7.106 125.371 118.700 -0.725 0.000 2.362 587 N HA 0.418 5.158 4.740 -0.000 0.000 0.298 587 N C -2.748 172.351 175.510 -0.685 0.000 1.048 587 N CA -1.560 51.207 53.050 -0.471 0.000 0.858 587 N CB 2.041 40.362 38.487 -0.276 0.000 1.218 587 N HN 0.287 nan 8.380 nan 0.000 0.488 588 P HA 0.062 nan 4.420 nan 0.000 0.272 588 P C 0.791 178.018 177.300 -0.121 0.000 1.230 588 P CA -0.193 62.860 63.100 -0.078 0.000 0.788 588 P CB 0.956 32.682 31.700 0.044 0.000 0.949 589 K N 0.768 121.135 120.400 -0.056 0.000 2.074 589 K HA -0.189 4.131 4.320 -0.000 0.000 0.209 589 K C 2.030 178.599 176.600 -0.051 0.000 1.048 589 K CA 2.154 58.404 56.287 -0.061 0.000 0.926 589 K CB -1.630 30.850 32.500 -0.034 0.000 0.713 589 K HN 0.470 nan 8.250 nan 0.000 0.444 590 G N 1.446 110.231 108.800 -0.026 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 1.510 176.405 174.900 -0.008 0.000 1.136 590 G CA 1.259 46.355 45.100 -0.008 0.000 0.759 590 G HN 0.348 nan 8.290 nan 0.000 0.562 591 I N -0.052 120.500 120.570 -0.029 0.000 2.480 591 I HA 0.059 4.229 4.170 -0.000 0.000 0.251 591 I C 2.530 178.623 176.117 -0.040 0.000 1.124 591 I CA 0.188 61.470 61.300 -0.030 0.000 1.444 591 I CB -0.080 37.895 38.000 -0.042 0.000 1.098 591 I HN 0.096 nan 8.210 nan 0.000 0.428 592 L N -0.107 121.075 121.223 -0.069 0.000 2.131 592 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 592 L C 2.705 179.558 176.870 -0.029 0.000 1.092 592 L CA 1.161 55.961 54.840 -0.066 0.000 0.759 592 L CB -0.552 41.447 42.059 -0.100 0.000 0.903 592 L HN 0.253 nan 8.230 nan 0.000 0.435 593 S N -0.014 115.676 115.700 -0.017 0.000 2.368 593 S HA -0.188 4.282 4.470 -0.000 0.000 0.225 593 S C 1.983 176.610 174.600 0.046 0.000 1.030 593 S CA 1.371 59.582 58.200 0.018 0.000 0.999 593 S CB 0.069 63.285 63.200 0.026 0.000 0.844 593 S HN 0.356 nan 8.310 nan 0.000 0.459 594 K N 0.523 120.943 120.400 0.034 0.000 2.001 594 K HA 0.058 4.378 4.320 -0.000 0.000 0.208 594 K C 2.074 178.691 176.600 0.028 0.000 1.048 594 K CA 1.568 57.877 56.287 0.037 0.000 0.932 594 K CB -0.401 32.115 32.500 0.026 0.000 0.715 594 K HN 0.382 nan 8.250 nan 0.000 0.437 595 I N 1.427 122.006 120.570 0.014 0.000 2.194 595 I HA -0.344 3.826 4.170 -0.000 0.000 0.246 595 I C 2.532 178.663 176.117 0.023 0.000 1.093 595 I CA 1.319 62.627 61.300 0.013 0.000 1.355 595 I CB -0.450 37.549 38.000 -0.003 0.000 1.046 595 I HN 0.206 nan 8.210 nan 0.000 0.413 596 A N -0.158 122.676 122.820 0.023 0.000 1.902 596 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 596 A C 2.490 180.104 177.584 0.049 0.000 1.181 596 A CA 2.115 54.170 52.037 0.031 0.000 0.623 596 A CB -0.721 18.294 19.000 0.026 0.000 0.818 596 A HN 0.372 nan 8.150 nan 0.000 0.443 597 S N -0.377 115.356 115.700 0.054 0.000 2.359 597 S HA -0.185 4.285 4.470 -0.000 0.000 0.224 597 S C 2.092 176.725 174.600 0.056 0.000 1.035 597 S CA 1.623 59.858 58.200 0.059 0.000 1.018 597 S CB -0.319 62.913 63.200 0.055 0.000 0.876 597 S HN 0.635 nan 8.310 nan 0.000 0.448 598 R N 1.166 121.694 120.500 0.048 0.000 2.096 598 R HA 0.023 4.363 4.340 -0.000 0.000 0.235 598 R C 2.550 178.888 176.300 0.064 0.000 1.127 598 R CA 1.165 57.294 56.100 0.047 0.000 0.968 598 R CB -0.483 29.838 30.300 0.035 0.000 0.861 598 R HN 0.391 nan 8.270 nan 0.000 0.440 599 A N 1.491 124.351 122.820 0.067 0.000 1.877 599 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 599 A C 2.177 179.843 177.584 0.136 0.000 1.186 599 A CA 1.467 53.556 52.037 0.086 0.000 0.620 599 A CB -0.506 18.533 19.000 0.065 0.000 0.822 599 A HN 0.314 nan 8.150 nan 0.000 0.443 600 M N -1.165 118.512 119.600 0.130 0.000 2.117 600 M HA -0.206 4.274 4.480 -0.000 0.000 0.262 600 M C 2.152 178.574 176.300 0.204 0.000 1.065 600 M CA 1.688 57.103 55.300 0.191 0.000 1.114 600 M CB -0.235 32.447 32.600 0.137 0.000 1.361 600 M HN 0.352 nan 8.290 nan 0.000 0.408 601 Q N 0.160 120.033 119.800 0.121 0.000 2.079 601 Q HA -0.079 4.261 4.340 -0.000 0.000 0.200 601 Q C 2.170 178.215 176.000 0.075 0.000 0.974 601 Q CA 1.895 57.746 55.803 0.079 0.000 0.840 601 Q CB -0.712 28.055 28.738 0.048 0.000 0.898 601 Q HN 0.697 nan 8.270 nan 0.000 0.430 602 A N 0.343 123.220 122.820 0.094 0.000 1.933 602 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 602 A C 1.932 179.582 177.584 0.111 0.000 1.175 602 A CA 1.318 53.405 52.037 0.082 0.000 0.628 602 A CB -0.776 18.276 19.000 0.086 0.000 0.814 602 A HN 0.369 nan 8.150 nan 0.000 0.444 603 F N 0.797 120.765 119.950 0.031 0.000 2.102 603 F HA -0.119 4.408 4.527 -0.000 0.000 0.298 603 F C 1.891 177.710 175.800 0.032 0.000 1.105 603 F CA 1.575 59.598 58.000 0.039 0.000 1.239 603 F CB -0.359 38.693 39.000 0.086 0.000 0.991 603 F HN 0.176 nan 8.300 nan 0.000 0.474 604 I N 0.123 120.580 120.570 -0.187 0.000 2.394 604 I HA -0.183 3.987 4.170 -0.000 0.000 0.251 604 I C 2.581 178.569 176.117 -0.214 0.000 1.136 604 I CA 1.369 62.497 61.300 -0.286 0.000 1.425 604 I CB -1.158 36.797 38.000 -0.076 0.000 1.079 604 I HN 0.328 nan 8.210 nan 0.000 0.425 605 G N -0.783 107.946 108.800 -0.118 0.000 2.551 605 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.216 605 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.216 605 G C 0.387 175.229 174.900 -0.097 0.000 1.137 605 G CA 0.353 45.401 45.100 -0.087 0.000 0.798 605 G HN 0.291 nan 8.290 nan 0.000 0.536 606 D N -0.923 119.408 120.400 -0.115 0.000 2.527 606 D HA 0.225 4.865 4.640 -0.000 0.000 0.242 606 D C -2.199 174.032 176.300 -0.115 0.000 1.285 606 D CA -1.298 52.646 54.000 -0.094 0.000 0.886 606 D CB 1.462 42.239 40.800 -0.038 0.000 1.402 606 D HN -0.104 nan 8.370 nan 0.000 0.528 607 P HA -0.138 nan 4.420 nan 0.000 0.220 607 P C 1.374 178.663 177.300 -0.018 0.000 1.144 607 P CA 1.035 63.999 63.100 -0.227 0.000 0.800 607 P CB 0.200 31.726 31.700 -0.290 0.000 0.772 608 S N -1.744 113.927 115.700 -0.048 0.000 2.603 608 S HA -0.098 4.372 4.470 -0.000 0.000 0.229 608 S C 1.721 176.308 174.600 -0.023 0.000 0.972 608 S CA 1.306 59.477 58.200 -0.049 0.000 0.935 608 S CB -1.723 61.443 63.200 -0.057 0.000 0.769 608 S HN 0.286 nan 8.310 nan 0.000 0.536 609 T N 1.541 116.109 114.554 0.023 0.000 2.915 609 T HA -0.017 4.333 4.350 -0.000 0.000 0.269 609 T C 1.859 176.567 174.700 0.013 0.000 1.071 609 T CA 0.933 63.055 62.100 0.037 0.000 1.132 609 T CB -1.025 67.889 68.868 0.077 0.000 0.878 609 T HN 0.755 nan 8.240 nan 0.000 0.479 610 I N 0.376 120.935 120.570 -0.018 0.000 2.493 610 I HA 0.067 4.237 4.170 -0.000 0.000 0.254 610 I C 2.000 178.017 176.117 -0.167 0.000 1.160 610 I CA 1.079 62.284 61.300 -0.158 0.000 1.445 610 I CB -0.688 37.037 38.000 -0.458 0.000 1.086 610 I HN 0.308 nan 8.210 nan 0.000 0.433 611 I N -0.875 119.616 120.570 -0.131 0.000 3.956 611 I HA 0.308 4.478 4.170 -0.000 0.000 0.333 611 I C 0.143 176.269 176.117 0.014 0.000 1.302 611 I CA -0.024 61.220 61.300 -0.093 0.000 1.122 611 I CB -0.505 37.372 38.000 -0.205 0.000 1.013 611 I HN -0.109 nan 8.210 nan 0.000 0.405 612 T N 2.423 116.983 114.554 0.012 0.000 2.806 612 T HA 0.191 4.541 4.350 -0.000 0.000 0.290 612 T C -0.135 174.595 174.700 0.050 0.000 0.966 612 T CA -0.194 61.935 62.100 0.049 0.000 1.060 612 T CB 1.017 69.903 68.868 0.031 0.000 0.927 612 T HN 0.408 nan 8.240 nan 0.000 0.485 613 Q N 2.128 121.966 119.800 0.063 0.000 2.349 613 Q HA 0.254 4.594 4.340 -0.000 0.000 0.287 613 Q C 0.939 176.958 176.000 0.032 0.000 1.044 613 Q CA 0.561 56.390 55.803 0.044 0.000 0.918 613 Q CB 0.087 28.847 28.738 0.037 0.000 1.242 613 Q HN 0.984 nan 8.270 nan 0.000 0.405 614 A N 1.762 124.598 122.820 0.027 0.000 2.910 614 A HA -0.268 4.052 4.320 -0.000 0.000 0.267 614 A C 0.483 178.082 177.584 0.025 0.000 1.310 614 A CA 1.036 53.087 52.037 0.024 0.000 0.934 614 A CB -2.224 16.788 19.000 0.020 0.000 1.057 614 A HN 1.173 nan 8.150 nan 0.000 0.742 615 A N -0.413 122.423 122.820 0.027 0.000 2.505 615 A HA 0.476 4.796 4.320 -0.000 0.000 0.271 615 A C -0.146 177.456 177.584 0.031 0.000 1.112 615 A CA -0.183 51.872 52.037 0.029 0.000 0.781 615 A CB -0.369 18.649 19.000 0.031 0.000 1.059 615 A HN 0.374 nan 8.150 nan 0.000 0.508 616 P HA -0.311 nan 4.420 nan 0.000 0.230 616 P C 1.307 178.625 177.300 0.029 0.000 0.781 616 P CA 2.403 65.519 63.100 0.028 0.000 1.067 616 P CB 0.087 31.805 31.700 0.029 0.000 0.733 617 V N -2.804 117.131 119.914 0.036 0.000 3.379 617 V HA 0.057 4.177 4.120 -0.000 0.000 0.249 617 V C 1.974 178.094 176.094 0.043 0.000 1.184 617 V CA 0.592 62.913 62.300 0.035 0.000 1.106 617 V CB -0.544 31.299 31.823 0.033 0.000 0.826 617 V HN 0.053 nan 8.190 nan 0.000 0.465 618 L N 0.154 121.406 121.223 0.048 0.000 2.622 618 L HA 0.014 4.354 4.340 -0.000 0.000 0.233 618 L C 2.298 179.184 176.870 0.028 0.000 1.156 618 L CA 1.038 55.906 54.840 0.046 0.000 0.866 618 L CB -0.436 41.654 42.059 0.050 0.000 0.980 618 L HN 0.306 nan 8.230 nan 0.000 0.448 619 S N -0.931 114.787 115.700 0.030 0.000 2.522 619 S HA -0.090 4.380 4.470 -0.000 0.000 0.227 619 S C 0.778 175.398 174.600 0.033 0.000 0.986 619 S CA 0.103 58.318 58.200 0.024 0.000 0.929 619 S CB -0.186 63.030 63.200 0.027 0.000 0.769 619 S HN 0.357 nan 8.310 nan 0.000 0.529 620 D N 1.516 121.943 120.400 0.046 0.000 2.317 620 D HA 0.137 4.777 4.640 -0.000 0.000 0.234 620 D C 1.104 177.457 176.300 0.087 0.000 1.112 620 D CA -0.320 53.713 54.000 0.054 0.000 0.840 620 D CB 1.466 42.293 40.800 0.045 0.000 1.078 620 D HN 0.416 nan 8.370 nan 0.000 0.486 621 K N 3.422 123.877 120.400 0.091 0.000 2.211 621 K HA -0.183 4.137 4.320 -0.000 0.000 0.204 621 K C 0.960 177.646 176.600 0.143 0.000 1.047 621 K CA 0.957 57.331 56.287 0.144 0.000 0.935 621 K CB 0.087 32.655 32.500 0.114 0.000 0.728 621 K HN 0.199 nan 8.250 nan 0.000 0.452 622 N N 1.292 120.041 118.700 0.081 0.000 2.142 622 N HA -0.094 4.646 4.740 -0.000 0.000 0.186 622 N C 1.317 176.844 175.510 0.030 0.000 1.023 622 N CA 1.230 54.306 53.050 0.043 0.000 0.852 622 N CB -0.382 38.120 38.487 0.025 0.000 0.998 622 N HN 0.373 nan 8.380 nan 0.000 0.424 623 N N 0.638 119.369 118.700 0.051 0.000 2.244 623 N HA -0.160 4.580 4.740 -0.000 0.000 0.183 623 N C 1.581 177.118 175.510 0.045 0.000 1.016 623 N CA 0.471 53.541 53.050 0.034 0.000 0.866 623 N CB -0.382 38.133 38.487 0.045 0.000 0.980 623 N HN 0.513 nan 8.380 nan 0.000 0.430 624 W N 2.195 123.443 121.300 -0.087 0.000 2.378 624 W HA -0.074 4.586 4.660 -0.000 0.000 0.313 624 W C 1.714 178.172 176.519 -0.100 0.000 1.197 624 W CA 0.712 57.981 57.345 -0.127 0.000 1.304 624 W CB -0.308 29.095 29.460 -0.097 0.000 1.148 624 W HN -0.078 nan 8.180 nan 0.000 0.494 625 I N 1.718 122.106 120.570 -0.303 0.000 2.208 625 I HA -0.328 3.842 4.170 -0.000 0.000 0.245 625 I C 2.782 178.695 176.117 -0.338 0.000 1.097 625 I CA 1.694 62.762 61.300 -0.386 0.000 1.363 625 I CB -1.110 36.809 38.000 -0.134 0.000 1.051 625 I HN 0.007 nan 8.210 nan 0.000 0.413 626 A N 0.693 123.384 122.820 -0.215 0.000 1.902 626 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 626 A C 2.258 179.714 177.584 -0.212 0.000 1.181 626 A CA 1.629 53.567 52.037 -0.165 0.000 0.623 626 A CB -0.712 18.231 19.000 -0.096 0.000 0.818 626 A HN 0.388 nan 8.150 nan 0.000 0.443 627 L N -0.400 120.654 121.223 -0.282 0.000 2.023 627 L HA 0.050 4.390 4.340 -0.000 0.000 0.205 627 L C 2.720 179.344 176.870 -0.409 0.000 1.073 627 L CA 2.169 56.832 54.840 -0.296 0.000 0.745 627 L CB -0.932 40.950 42.059 -0.296 0.000 0.900 627 L HN 0.326 nan 8.230 nan 0.000 0.435 628 A N -0.990 121.376 122.820 -0.757 0.000 1.892 628 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 628 A C 2.199 179.563 177.584 -0.366 0.000 1.188 628 A CA 1.986 53.586 52.037 -0.729 0.000 0.631 628 A CB -0.674 17.646 19.000 -1.133 0.000 0.822 628 A HN 0.631 nan 8.150 nan 0.000 0.447 629 Q N -0.898 118.712 119.800 -0.317 0.000 2.187 629 Q HA -0.057 4.283 4.340 -0.000 0.000 0.199 629 Q C 2.258 178.178 176.000 -0.134 0.000 0.957 629 Q CA 1.283 56.975 55.803 -0.184 0.000 0.857 629 Q CB -0.802 27.843 28.738 -0.155 0.000 0.929 629 Q HN 0.668 nan 8.270 nan 0.000 0.453 630 G N 0.550 109.264 108.800 -0.142 0.000 2.421 630 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 630 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 630 G C 1.608 176.467 174.900 -0.068 0.000 1.171 630 G CA 1.001 46.046 45.100 -0.092 0.000 0.775 630 G HN 0.254 nan 8.290 nan 0.000 0.543 631 V N 0.976 120.844 119.914 -0.077 0.000 2.370 631 V HA -0.300 3.820 4.120 -0.000 0.000 0.252 631 V C 2.830 178.906 176.094 -0.030 0.000 1.068 631 V CA 2.509 64.785 62.300 -0.041 0.000 1.061 631 V CB -0.490 31.313 31.823 -0.034 0.000 0.656 631 V HN 0.431 nan 8.190 nan 0.000 0.455 632 K N -0.379 119.995 120.400 -0.043 0.000 2.032 632 K HA -0.174 4.146 4.320 -0.000 0.000 0.209 632 K C 2.217 178.804 176.600 -0.022 0.000 1.048 632 K CA 2.013 58.282 56.287 -0.030 0.000 0.927 632 K CB -0.553 31.925 32.500 -0.036 0.000 0.712 632 K HN 0.491 nan 8.250 nan 0.000 0.441 633 T N 0.482 115.020 114.554 -0.027 0.000 2.737 633 T HA -0.156 4.194 4.350 -0.000 0.000 0.265 633 T C 2.042 176.736 174.700 -0.011 0.000 1.038 633 T CA 1.508 63.597 62.100 -0.019 0.000 1.144 633 T CB -0.324 68.530 68.868 -0.023 0.000 0.866 633 T HN 0.236 nan 8.240 nan 0.000 0.434 634 S N 0.741 116.434 115.700 -0.011 0.000 2.380 634 S HA -0.091 4.379 4.470 -0.000 0.000 0.229 634 S C 1.951 176.553 174.600 0.003 0.000 1.043 634 S CA 1.168 59.368 58.200 -0.001 0.000 1.038 634 S CB -0.467 62.734 63.200 0.002 0.000 0.872 634 S HN 0.425 nan 8.310 nan 0.000 0.456 635 L N 0.108 121.331 121.223 0.000 0.000 2.102 635 L HA 0.127 4.467 4.340 -0.000 0.000 0.202 635 L C 2.839 179.710 176.870 0.001 0.000 1.076 635 L CA 0.874 55.715 54.840 0.002 0.000 0.761 635 L CB -0.443 41.617 42.059 0.002 0.000 0.921 635 L HN 0.192 nan 8.230 nan 0.000 0.444 636 R N -0.130 120.369 120.500 -0.002 0.000 2.200 636 R HA -0.113 4.227 4.340 -0.000 0.000 0.234 636 R C 1.541 177.841 176.300 0.000 0.000 1.127 636 R CA 1.649 57.749 56.100 -0.001 0.000 0.989 636 R CB -0.357 29.941 30.300 -0.004 0.000 0.869 636 R HN 0.450 nan 8.270 nan 0.000 0.459 637 T N -2.052 112.502 114.554 0.001 0.000 3.223 637 T HA 0.222 4.572 4.350 -0.000 0.000 0.259 637 T C 0.218 174.921 174.700 0.005 0.000 1.015 637 T CA -0.411 61.691 62.100 0.003 0.000 0.908 637 T CB 0.144 69.013 68.868 0.002 0.000 1.054 637 T HN -0.045 nan 8.240 nan 0.000 0.567 638 K N 1.237 121.640 120.400 0.005 0.000 2.098 638 K HA 0.574 4.894 4.320 -0.000 0.000 0.261 638 K C -0.512 176.091 176.600 0.006 0.000 0.987 638 K CA -0.600 55.691 56.287 0.006 0.000 0.916 638 K CB 1.179 33.682 32.500 0.006 0.000 1.039 638 K HN 0.010 nan 8.250 nan 0.000 0.455 639 S N 2.869 118.572 115.700 0.006 0.000 2.542 639 S HA 0.144 4.614 4.470 -0.000 0.000 0.245 639 S C -0.351 174.252 174.600 0.005 0.000 1.325 639 S CA -0.658 57.545 58.200 0.006 0.000 1.176 639 S CB 0.303 63.506 63.200 0.006 0.000 1.045 639 S HN 0.507 nan 8.310 nan 0.000 0.481 640 L N 1.855 123.081 121.223 0.004 0.000 4.063 640 L HA -0.201 4.139 4.340 -0.000 0.000 0.468 640 L C 0.902 177.774 176.870 0.003 0.000 1.118 640 L CA 0.883 55.725 54.840 0.003 0.000 0.814 640 L CB -3.162 38.899 42.059 0.003 0.000 1.754 640 L HN 0.780 nan 8.230 nan 0.000 0.897 641 S N -1.804 113.898 115.700 0.003 0.000 2.690 641 S HA 0.935 5.405 4.470 -0.000 0.000 0.291 641 S C 0.062 174.662 174.600 0.000 0.000 1.138 641 S CA -0.132 58.069 58.200 0.003 0.000 1.013 641 S CB 3.116 66.318 63.200 0.005 0.000 1.053 641 S HN 0.813 nan 8.310 nan 0.000 0.539 642 A N 0.553 123.372 122.820 -0.001 0.000 2.486 642 A HA 0.799 5.119 4.320 -0.000 0.000 0.300 642 A C 0.266 177.846 177.584 -0.006 0.000 1.048 642 A CA -0.476 51.559 52.037 -0.004 0.000 0.696 642 A CB 0.805 19.802 19.000 -0.006 0.000 1.278 642 A HN 1.550 nan 8.150 nan 0.000 0.405 643 G N 0.368 109.162 108.800 -0.010 0.000 2.368 643 G HA2 0.339 4.299 3.960 -0.000 0.000 0.233 643 G HA3 0.339 4.299 3.960 -0.000 0.000 0.233 643 G C 0.988 175.878 174.900 -0.017 0.000 1.267 643 G CA 0.305 45.396 45.100 -0.016 0.000 0.873 643 G HN 1.098 nan 8.290 nan 0.000 0.539 644 V N 2.968 122.870 119.914 -0.020 0.000 2.255 644 V HA -0.248 3.872 4.120 -0.000 0.000 0.247 644 V C 2.866 178.948 176.094 -0.020 0.000 1.051 644 V CA 2.404 64.693 62.300 -0.018 0.000 1.018 644 V CB -0.697 31.114 31.823 -0.021 0.000 0.641 644 V HN 0.888 nan 8.190 nan 0.000 0.445 645 K N -0.355 120.029 120.400 -0.027 0.000 2.074 645 K HA -0.229 4.091 4.320 -0.000 0.000 0.209 645 K C 2.209 178.796 176.600 -0.021 0.000 1.048 645 K CA 2.180 58.451 56.287 -0.027 0.000 0.926 645 K CB -0.341 32.138 32.500 -0.034 0.000 0.713 645 K HN 0.556 nan 8.250 nan 0.000 0.444 646 T N 0.684 115.226 114.554 -0.021 0.000 2.737 646 T HA -0.116 4.234 4.350 -0.000 0.000 0.265 646 T C 1.859 176.550 174.700 -0.015 0.000 1.038 646 T CA 1.305 63.394 62.100 -0.018 0.000 1.144 646 T CB -0.366 68.492 68.868 -0.017 0.000 0.866 646 T HN 0.424 nan 8.240 nan 0.000 0.434 647 A N 1.723 124.535 122.820 -0.012 0.000 1.903 647 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 647 A C 2.695 180.274 177.584 -0.008 0.000 1.191 647 A CA 2.393 54.424 52.037 -0.009 0.000 0.638 647 A CB -1.307 17.689 19.000 -0.007 0.000 0.823 647 A HN 0.521 nan 8.150 nan 0.000 0.451 648 V N -2.649 117.260 119.914 -0.009 0.000 2.358 648 V HA -0.150 3.970 4.120 -0.000 0.000 0.246 648 V C 2.308 178.397 176.094 -0.009 0.000 1.047 648 V CA 2.785 65.080 62.300 -0.008 0.000 1.035 648 V CB -1.161 30.657 31.823 -0.008 0.000 0.658 648 V HN 0.474 nan 8.190 nan 0.000 0.452 649 S N -0.326 115.367 115.700 -0.012 0.000 2.383 649 S HA -0.200 4.270 4.470 -0.000 0.000 0.229 649 S C 2.115 176.707 174.600 -0.013 0.000 1.030 649 S CA 1.693 59.885 58.200 -0.013 0.000 1.002 649 S CB -0.425 62.764 63.200 -0.017 0.000 0.829 649 S HN 0.659 nan 8.310 nan 0.000 0.467 650 K N 1.125 121.517 120.400 -0.013 0.000 2.002 650 K HA 0.001 4.321 4.320 -0.000 0.000 0.209 650 K C 2.142 178.736 176.600 -0.009 0.000 1.048 650 K CA 1.237 57.516 56.287 -0.013 0.000 0.930 650 K CB -0.965 31.528 32.500 -0.012 0.000 0.714 650 K HN 0.434 nan 8.250 nan 0.000 0.438 651 L N 0.669 121.889 121.223 -0.005 0.000 2.046 651 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 651 L C 2.712 179.583 176.870 0.002 0.000 1.077 651 L CA 1.180 56.020 54.840 -0.001 0.000 0.747 651 L CB -0.628 41.432 42.059 0.000 0.000 0.896 651 L HN 0.170 nan 8.230 nan 0.000 0.432 652 S N -0.514 115.186 115.700 -0.001 0.000 2.370 652 S HA -0.185 4.285 4.470 -0.000 0.000 0.226 652 S C 2.191 176.792 174.600 0.001 0.000 1.033 652 S CA 1.893 60.093 58.200 0.001 0.000 1.011 652 S CB -0.082 63.117 63.200 -0.002 0.000 0.852 652 S HN 0.418 nan 8.310 nan 0.000 0.457 653 S N 0.885 116.581 115.700 -0.006 0.000 2.371 653 S HA 0.001 4.471 4.470 -0.000 0.000 0.224 653 S C 2.173 176.770 174.600 -0.005 0.000 1.029 653 S CA 1.157 59.350 58.200 -0.011 0.000 0.978 653 S CB -0.513 62.673 63.200 -0.024 0.000 0.833 653 S HN 0.578 nan 8.310 nan 0.000 0.466 654 S N 1.587 117.286 115.700 -0.001 0.000 2.383 654 S HA -0.155 4.315 4.470 -0.000 0.000 0.229 654 S C 1.854 176.469 174.600 0.025 0.000 1.030 654 S CA 1.151 59.356 58.200 0.008 0.000 1.002 654 S CB -0.312 62.893 63.200 0.007 0.000 0.829 654 S HN 0.545 nan 8.310 nan 0.000 0.467 655 E N 1.048 121.262 120.200 0.024 0.000 2.051 655 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 655 E C 2.463 179.094 176.600 0.052 0.000 0.991 655 E CA 1.437 57.857 56.400 0.034 0.000 0.799 655 E CB -0.230 29.485 29.700 0.025 0.000 0.748 655 E HN 0.639 nan 8.360 nan 0.000 0.449 656 S N 0.836 116.563 115.700 0.045 0.000 2.399 656 S HA -0.142 4.328 4.470 -0.000 0.000 0.231 656 S C 2.031 176.698 174.600 0.111 0.000 1.022 656 S CA 0.806 59.044 58.200 0.064 0.000 0.983 656 S CB -0.432 62.789 63.200 0.035 0.000 0.803 656 S HN 0.182 nan 8.310 nan 0.000 0.480 657 I N 1.432 122.052 120.570 0.085 0.000 2.286 657 I HA -0.132 4.038 4.170 -0.000 0.000 0.245 657 I C 3.096 179.354 176.117 0.235 0.000 1.104 657 I CA 1.340 62.716 61.300 0.127 0.000 1.397 657 I CB -0.462 37.555 38.000 0.029 0.000 1.072 657 I HN 0.417 nan 8.210 nan 0.000 0.417 658 Q N 1.610 121.497 119.800 0.146 0.000 2.050 658 Q HA -0.276 4.064 4.340 -0.000 0.000 0.202 658 Q C 1.980 178.060 176.000 0.133 0.000 0.980 658 Q CA 1.909 57.789 55.803 0.127 0.000 0.840 658 Q CB -0.402 28.381 28.738 0.075 0.000 0.898 658 Q HN 0.535 nan 8.270 nan 0.000 0.424 659 N N -0.330 118.448 118.700 0.129 0.000 2.120 659 N HA -0.191 4.549 4.740 -0.000 0.000 0.188 659 N C 1.710 177.307 175.510 0.145 0.000 1.024 659 N CA 1.464 54.580 53.050 0.110 0.000 0.852 659 N CB -0.485 38.060 38.487 0.097 0.000 1.003 659 N HN 0.402 nan 8.380 nan 0.000 0.424 660 W N 2.017 123.335 121.300 0.031 0.000 2.358 660 W HA -0.097 4.563 4.660 -0.000 0.000 0.303 660 W C 2.169 178.735 176.519 0.078 0.000 1.208 660 W CA 2.124 59.495 57.345 0.043 0.000 1.274 660 W CB -0.681 28.790 29.460 0.017 0.000 1.138 660 W HN -0.066 nan 8.180 nan 0.000 0.515 661 T N 0.599 115.261 114.554 0.181 0.000 2.720 661 T HA -0.344 4.006 4.350 -0.000 0.000 0.268 661 T C 1.525 176.177 174.700 -0.081 0.000 1.037 661 T CA 1.979 64.073 62.100 -0.009 0.000 1.144 661 T CB -0.542 68.431 68.868 0.175 0.000 0.864 661 T HN 0.195 nan 8.240 nan 0.000 0.444 662 Q N 1.148 120.931 119.800 -0.027 0.000 2.020 662 Q HA 0.022 4.362 4.340 -0.000 0.000 0.202 662 Q C 2.526 178.471 176.000 -0.090 0.000 0.982 662 Q CA 2.099 57.876 55.803 -0.043 0.000 0.838 662 Q CB -1.154 27.575 28.738 -0.014 0.000 0.899 662 Q HN 0.496 nan 8.270 nan 0.000 0.423 663 G N -0.351 108.389 108.800 -0.101 0.000 2.475 663 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.220 663 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.220 663 G C 1.279 176.089 174.900 -0.151 0.000 1.125 663 G CA 0.931 45.963 45.100 -0.113 0.000 0.755 663 G HN 0.454 nan 8.290 nan 0.000 0.565 664 F N 0.993 120.690 119.950 -0.422 0.000 2.149 664 F HA 0.183 4.710 4.527 -0.000 0.000 0.294 664 F C 2.424 178.090 175.800 -0.223 0.000 1.095 664 F CA 0.750 58.504 58.000 -0.410 0.000 1.276 664 F CB -0.336 38.236 39.000 -0.713 0.000 1.023 664 F HN 0.029 nan 8.300 nan 0.000 0.480 665 L N 0.191 121.240 121.223 -0.289 0.000 2.127 665 L HA -0.244 4.096 4.340 -0.000 0.000 0.211 665 L C 2.039 178.748 176.870 -0.268 0.000 1.089 665 L CA 1.344 56.003 54.840 -0.301 0.000 0.757 665 L CB -0.819 41.164 42.059 -0.127 0.000 0.899 665 L HN 0.153 nan 8.230 nan 0.000 0.434 666 D N 0.250 120.524 120.400 -0.209 0.000 2.097 666 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 666 D C 2.164 178.349 176.300 -0.192 0.000 0.984 666 D CA 1.132 55.035 54.000 -0.162 0.000 0.826 666 D CB -0.050 40.679 40.800 -0.119 0.000 0.973 666 D HN 0.286 nan 8.370 nan 0.000 0.460 667 K N 0.500 120.769 120.400 -0.220 0.000 2.103 667 K HA -0.085 4.235 4.320 -0.000 0.000 0.207 667 K C 2.183 178.701 176.600 -0.136 0.000 1.048 667 K CA 0.583 56.771 56.287 -0.166 0.000 0.930 667 K CB -0.063 32.386 32.500 -0.084 0.000 0.716 667 K HN 0.005 nan 8.250 nan 0.000 0.444 668 V N 0.804 120.547 119.914 -0.285 0.000 2.261 668 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 668 V C 2.423 178.532 176.094 0.026 0.000 1.047 668 V CA 2.092 64.307 62.300 -0.142 0.000 1.015 668 V CB -0.512 31.096 31.823 -0.358 0.000 0.642 668 V HN 0.380 nan 8.190 nan 0.000 0.446 669 S N -0.527 115.124 115.700 -0.082 0.000 2.383 669 S HA -0.248 4.222 4.470 -0.000 0.000 0.229 669 S C 2.027 176.586 174.600 -0.068 0.000 1.030 669 S CA 2.436 60.607 58.200 -0.049 0.000 1.002 669 S CB -0.431 62.721 63.200 -0.081 0.000 0.829 669 S HN 0.703 nan 8.310 nan 0.000 0.467 670 T N 0.622 115.074 114.554 -0.171 0.000 2.821 670 T HA -0.018 4.332 4.350 -0.000 0.000 0.267 670 T C 1.311 175.776 174.700 -0.391 0.000 1.046 670 T CA 1.171 63.087 62.100 -0.307 0.000 1.139 670 T CB -0.324 68.264 68.868 -0.466 0.000 0.871 670 T HN 0.548 nan 8.240 nan 0.000 0.454 671 H N -1.037 117.990 119.070 -0.073 0.000 2.551 671 H HA 0.265 4.821 4.556 -0.000 0.000 0.271 671 H C -0.431 174.513 175.328 -0.640 0.000 0.984 671 H CA 0.153 56.029 56.048 -0.287 0.000 1.164 671 H CB 0.256 29.854 29.762 -0.273 0.000 1.437 671 H HN 0.348 nan 8.280 nan 0.000 0.550 672 F N 0.716 120.670 119.950 0.007 0.000 2.708 672 F HA 0.317 4.844 4.527 -0.000 0.000 0.344 672 F C -2.546 173.236 175.800 -0.029 0.000 1.447 672 F CA -2.371 55.627 58.000 -0.003 0.000 1.140 672 F CB 1.082 40.080 39.000 -0.004 0.000 1.657 672 F HN -0.168 nan 8.300 nan 0.000 0.598 673 P HA 0.099 nan 4.420 nan 0.000 0.265 673 P C -0.014 177.308 177.300 0.037 0.000 1.187 673 P CA 0.163 63.272 63.100 0.015 0.000 0.766 673 P CB 0.784 32.470 31.700 -0.023 0.000 0.820 674 A N 4.783 127.616 122.820 0.021 0.000 2.351 674 A HA 0.522 4.842 4.320 -0.000 0.000 0.257 674 A C -1.782 175.813 177.584 0.017 0.000 1.087 674 A CA -0.868 51.184 52.037 0.025 0.000 0.798 674 A CB -1.268 17.740 19.000 0.013 0.000 1.033 674 A HN 0.441 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 0.015 0.000 0.800 675 P CB 0.000 31.713 31.700 0.021 0.000 0.726