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 2oqe_1_A DATA FIRST_RESID 17 DATA SEQUENCE APARPAHPLD PLSTAEIKAA TNTVKSYFAG KKISFNTVTL REPARKAYIQ DATA SEQUENCE WKEQGGPLPP RLAYYVILEA GKPGVKEGLV DLASLSVIET RALETVQPIL DATA SEQUENCE TVEDLCSTEE VIRNDPAVIE QCVLSGIPAN EMHKVYCDPW TIGYDERWGT DATA SEQUENCE GKRLQQALVY YRSDEDDSQY SHPLDFCPIV DTEEKKVIFI DIPNRRRKVS DATA SEQUENCE KHKHANFYPK HMIEKVGAMR PEAPPINVTQ PEGVSFKMTG NVMEWSNFKF DATA SEQUENCE HIGFNYREGI VLSDVSYNDH GNVRPIFHRI SLSEMIVPYG SPEFPHQRKH DATA SEQUENCE ALDIGEYGAG YMTNPLSLGC DCKGVIHYLD AHFSDRAGDP ITVKNAVCIH DATA SEQUENCE EEDDGLLFKH SDFRDNFATS LVTRATKLVV SQIFTAANXE YCLYWVFMQD DATA SEQUENCE GAIRLDIRLT GILNTYILGD DEEAGPWGTR VYPNVNAHNH QHLFSLRIDP DATA SEQUENCE RIDGDGNSAA ACDAKSSPYP LGSPENMYGN AFYSEKTTFK TVKDSLTNYE DATA SEQUENCE SATGRSWDIF NPNKVNPYSG KPPSYKLVST QCPPLLAKEG SLVAKRAPWA DATA SEQUENCE SHSVNVVPYK DNRLYPSGDH VPQWSGDGVR GMREWIGDGS ENIDNTDILF DATA SEQUENCE FHTFGITHFP APEDFPLXPA EPITLMLRPR HFFTENPGLD IQPSYAMTTS DATA SEQUENCE EAKRAV 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 17 A HA 0.000 nan 4.320 nan 0.000 0.244 17 A C 0.000 177.586 177.584 0.003 0.000 1.274 17 A CA 0.000 52.040 52.037 0.005 0.000 0.836 17 A CB 0.000 19.004 19.000 0.007 0.000 0.831 18 P HA 0.550 nan 4.420 nan 0.000 0.272 18 P C 0.219 177.521 177.300 0.004 0.000 1.223 18 P CA 0.198 63.298 63.100 0.000 0.000 0.784 18 P CB 0.768 32.467 31.700 -0.001 0.000 0.923 19 A N 2.919 125.741 122.820 0.004 0.000 2.540 19 A HA 0.076 4.395 4.320 -0.001 0.000 0.239 19 A C 0.628 178.220 177.584 0.013 0.000 1.061 19 A CA -0.095 51.948 52.037 0.010 0.000 0.758 19 A CB -0.289 18.717 19.000 0.010 0.000 0.991 19 A HN 0.536 nan 8.150 nan 0.000 0.502 20 R N 2.046 122.556 120.500 0.015 0.000 2.543 20 R HA 0.286 4.626 4.340 -0.001 0.000 0.277 20 R C -1.878 174.439 176.300 0.028 0.000 1.074 20 R CA -0.925 55.184 56.100 0.015 0.000 1.076 20 R CB 0.220 30.526 30.300 0.009 0.000 0.993 20 R HN 0.656 nan 8.270 nan 0.000 0.459 21 P HA 0.044 nan 4.420 nan 0.000 0.274 21 P C -0.256 177.093 177.300 0.082 0.000 1.246 21 P CA -0.177 62.961 63.100 0.062 0.000 0.795 21 P CB 0.941 32.686 31.700 0.074 0.000 1.006 22 A N 0.544 123.435 122.820 0.119 0.000 2.084 22 A HA -0.148 4.171 4.320 -0.001 0.000 0.221 22 A C 1.072 178.792 177.584 0.227 0.000 1.161 22 A CA 1.482 53.614 52.037 0.158 0.000 0.653 22 A CB -0.812 18.287 19.000 0.166 0.000 0.802 22 A HN 0.751 nan 8.150 nan 0.000 0.457 23 H N -2.715 116.408 119.070 0.089 0.000 3.087 23 H HA 0.284 4.839 4.556 -0.001 0.000 0.348 23 H C -2.766 172.522 175.328 -0.067 0.000 1.092 23 H CA -1.345 54.751 56.048 0.079 0.000 1.285 23 H CB 1.810 31.688 29.762 0.193 0.000 1.875 23 H HN -0.104 nan 8.280 nan 0.000 0.512 24 P HA -0.050 nan 4.420 nan 0.000 0.221 24 P C 1.279 178.567 177.300 -0.020 0.000 1.145 24 P CA 1.010 63.982 63.100 -0.213 0.000 0.795 24 P CB 0.336 31.742 31.700 -0.490 0.000 0.775 25 L N -2.011 119.287 121.223 0.124 0.000 2.607 25 L HA 0.129 4.468 4.340 -0.001 0.000 0.228 25 L C 0.263 177.081 176.870 -0.086 0.000 1.123 25 L CA -0.155 54.557 54.840 -0.213 0.000 0.890 25 L CB -0.490 41.145 42.059 -0.707 0.000 1.103 25 L HN -0.126 nan 8.230 nan 0.000 0.468 26 D N 2.174 122.655 120.400 0.135 0.000 2.455 26 D HA 0.097 4.736 4.640 -0.001 0.000 0.241 26 D C -1.972 174.431 176.300 0.172 0.000 1.138 26 D CA -1.045 53.106 54.000 0.251 0.000 0.877 26 D CB 0.575 41.507 40.800 0.221 0.000 1.187 26 D HN -0.034 nan 8.370 nan 0.000 0.451 27 P HA 0.021 nan 4.420 nan 0.000 0.270 27 P C 0.129 177.523 177.300 0.157 0.000 1.223 27 P CA -0.313 62.897 63.100 0.184 0.000 0.785 27 P CB 0.539 32.374 31.700 0.224 0.000 0.923 28 L N 0.724 122.039 121.223 0.153 0.000 2.540 28 L HA 0.013 4.352 4.340 -0.001 0.000 0.276 28 L C 1.446 178.377 176.870 0.101 0.000 1.212 28 L CA 0.135 55.044 54.840 0.116 0.000 0.893 28 L CB -0.348 41.782 42.059 0.119 0.000 1.138 28 L HN 0.505 nan 8.230 nan 0.000 0.491 29 S N 0.347 116.069 115.700 0.037 0.000 2.608 29 S HA 0.086 4.556 4.470 -0.001 0.000 0.261 29 S C 1.358 175.888 174.600 -0.118 0.000 1.314 29 S CA -0.197 57.966 58.200 -0.061 0.000 0.992 29 S CB 1.277 64.442 63.200 -0.059 0.000 0.935 29 S HN 0.783 nan 8.310 nan 0.000 0.564 30 T N -0.988 113.396 114.554 -0.283 0.000 2.759 30 T HA -0.144 4.205 4.350 -0.001 0.000 0.269 30 T C 1.990 176.628 174.700 -0.104 0.000 1.042 30 T CA 1.267 63.248 62.100 -0.197 0.000 1.140 30 T CB -1.188 67.530 68.868 -0.250 0.000 0.864 30 T HN 0.928 nan 8.240 nan 0.000 0.455 31 A N 1.878 124.641 122.820 -0.095 0.000 1.908 31 A HA -0.122 4.197 4.320 -0.001 0.000 0.218 31 A C 2.327 179.888 177.584 -0.038 0.000 1.181 31 A CA 1.763 53.766 52.037 -0.057 0.000 0.627 31 A CB -0.720 18.253 19.000 -0.045 0.000 0.818 31 A HN 0.692 nan 8.150 nan 0.000 0.445 32 E N -0.522 119.662 120.200 -0.027 0.000 2.107 32 E HA -0.096 4.254 4.350 -0.001 0.000 0.191 32 E C 1.870 178.466 176.600 -0.005 0.000 0.982 32 E CA 0.965 57.362 56.400 -0.005 0.000 0.809 32 E CB -0.246 29.464 29.700 0.017 0.000 0.756 32 E HN 0.698 nan 8.360 nan 0.000 0.459 33 I N 1.156 121.720 120.570 -0.009 0.000 2.163 33 I HA -0.291 3.879 4.170 -0.001 0.000 0.243 33 I C 2.451 178.522 176.117 -0.076 0.000 1.085 33 I CA 1.066 62.355 61.300 -0.017 0.000 1.347 33 I CB -0.118 37.887 38.000 0.008 0.000 1.044 33 I HN -0.026 nan 8.210 nan 0.000 0.408 34 K N 1.458 121.813 120.400 -0.076 0.000 2.057 34 K HA -0.094 4.225 4.320 -0.001 0.000 0.207 34 K C 2.027 178.578 176.600 -0.081 0.000 1.049 34 K CA 1.684 57.914 56.287 -0.096 0.000 0.931 34 K CB -0.472 31.986 32.500 -0.070 0.000 0.714 34 K HN 0.283 nan 8.250 nan 0.000 0.440 35 A N 0.446 123.236 122.820 -0.050 0.000 1.940 35 A HA -0.080 4.239 4.320 -0.001 0.000 0.219 35 A C 2.356 179.920 177.584 -0.032 0.000 1.176 35 A CA 2.109 54.127 52.037 -0.032 0.000 0.631 35 A CB -1.009 17.982 19.000 -0.014 0.000 0.814 35 A HN 0.414 nan 8.150 nan 0.000 0.446 36 A N -0.315 122.483 122.820 -0.036 0.000 1.873 36 A HA -0.082 4.237 4.320 -0.001 0.000 0.215 36 A C 2.478 180.016 177.584 -0.077 0.000 1.186 36 A CA 2.526 54.548 52.037 -0.024 0.000 0.616 36 A CB -1.392 17.618 19.000 0.016 0.000 0.823 36 A HN 0.776 nan 8.150 nan 0.000 0.442 37 T N -1.921 112.508 114.554 -0.207 0.000 2.821 37 T HA -0.145 4.205 4.350 -0.001 0.000 0.267 37 T C 1.676 176.302 174.700 -0.124 0.000 1.046 37 T CA 1.420 63.272 62.100 -0.414 0.000 1.139 37 T CB -0.581 67.702 68.868 -0.974 0.000 0.871 37 T HN 0.351 nan 8.240 nan 0.000 0.454 38 N N 1.405 120.053 118.700 -0.086 0.000 2.104 38 N HA -0.075 4.665 4.740 -0.001 0.000 0.190 38 N C 2.076 177.602 175.510 0.027 0.000 1.024 38 N CA 1.852 54.895 53.050 -0.011 0.000 0.853 38 N CB -1.035 37.441 38.487 -0.019 0.000 1.008 38 N HN 0.513 nan 8.380 nan 0.000 0.424 39 T N 0.819 115.380 114.554 0.011 0.000 2.708 39 T HA -0.055 4.294 4.350 -0.001 0.000 0.266 39 T C 2.138 176.863 174.700 0.041 0.000 1.037 39 T CA 1.010 63.123 62.100 0.022 0.000 1.146 39 T CB -0.322 68.549 68.868 0.004 0.000 0.865 39 T HN -0.012 nan 8.240 nan 0.000 0.435 40 V N 1.323 121.258 119.914 0.036 0.000 2.358 40 V HA -0.139 3.980 4.120 -0.001 0.000 0.246 40 V C 2.427 178.677 176.094 0.260 0.000 1.047 40 V CA 1.497 63.832 62.300 0.058 0.000 1.035 40 V CB -0.487 31.293 31.823 -0.070 0.000 0.658 40 V HN 0.452 nan 8.190 nan 0.000 0.452 41 K N 0.197 120.767 120.400 0.283 0.000 2.103 41 K HA -0.153 4.166 4.320 -0.001 0.000 0.207 41 K C 2.406 179.104 176.600 0.163 0.000 1.048 41 K CA 1.777 58.212 56.287 0.246 0.000 0.930 41 K CB -0.299 32.327 32.500 0.209 0.000 0.716 41 K HN 0.403 nan 8.250 nan 0.000 0.444 42 S N 0.323 116.090 115.700 0.112 0.000 2.368 42 S HA -0.167 4.302 4.470 -0.001 0.000 0.224 42 S C 1.724 176.337 174.600 0.023 0.000 1.029 42 S CA 1.020 59.255 58.200 0.059 0.000 0.988 42 S CB -0.384 62.842 63.200 0.044 0.000 0.838 42 S HN 0.331 nan 8.310 nan 0.000 0.462 43 Y N 1.146 121.373 120.300 -0.121 0.000 2.181 43 Y HA -0.081 4.468 4.550 -0.001 0.000 0.288 43 Y C 0.820 176.462 175.900 -0.429 0.000 1.146 43 Y CA 1.307 59.218 58.100 -0.315 0.000 1.164 43 Y CB -0.158 38.022 38.460 -0.466 0.000 0.982 43 Y HN 0.189 nan 8.280 nan 0.000 0.515 44 F N 0.741 120.740 119.950 0.081 0.000 2.916 44 F HA 0.428 4.955 4.527 -0.001 0.000 0.294 44 F C 0.884 176.671 175.800 -0.022 0.000 1.189 44 F CA -0.402 57.602 58.000 0.007 0.000 1.369 44 F CB -0.880 38.143 39.000 0.039 0.000 0.961 44 F HN -0.007 nan 8.300 nan 0.000 0.508 45 A N 0.108 122.960 122.820 0.053 0.000 2.540 45 A HA 0.404 4.723 4.320 -0.001 0.000 0.239 45 A C 1.571 179.176 177.584 0.035 0.000 1.061 45 A CA 0.845 52.906 52.037 0.039 0.000 0.758 45 A CB -0.497 18.501 19.000 -0.004 0.000 0.991 45 A HN 1.096 nan 8.150 nan 0.000 0.502 46 G N 1.496 110.319 108.800 0.038 0.000 2.176 46 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.253 46 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.253 46 G C 0.194 175.115 174.900 0.035 0.000 0.979 46 G CA 0.799 45.916 45.100 0.027 0.000 0.641 46 G HN 0.871 nan 8.290 nan 0.000 0.530 47 K N 0.051 120.486 120.400 0.057 0.000 2.156 47 K HA 0.536 4.855 4.320 -0.001 0.000 0.254 47 K C -0.046 176.561 176.600 0.012 0.000 0.950 47 K CA -0.813 55.498 56.287 0.039 0.000 0.849 47 K CB 1.731 34.271 32.500 0.068 0.000 1.100 47 K HN 0.071 nan 8.250 nan 0.000 0.434 48 K N 4.517 124.908 120.400 -0.016 0.000 2.250 48 K HA 0.217 4.536 4.320 -0.001 0.000 0.285 48 K C -0.591 175.965 176.600 -0.074 0.000 1.097 48 K CA -0.277 55.993 56.287 -0.028 0.000 0.913 48 K CB -0.091 32.397 32.500 -0.022 0.000 1.179 48 K HN 0.553 nan 8.250 nan 0.000 0.462 49 I N 0.262 120.776 120.570 -0.095 0.000 2.740 49 I HA 0.599 4.768 4.170 -0.001 0.000 0.303 49 I C -0.719 175.287 176.117 -0.184 0.000 1.044 49 I CA -0.747 60.430 61.300 -0.205 0.000 1.064 49 I CB 2.300 40.092 38.000 -0.346 0.000 1.249 49 I HN 0.459 nan 8.210 nan 0.000 0.433 50 S N 3.081 118.630 115.700 -0.252 0.000 2.570 50 S HA 0.680 5.150 4.470 -0.001 0.000 0.286 50 S C -1.059 173.374 174.600 -0.278 0.000 1.099 50 S CA -0.668 57.447 58.200 -0.142 0.000 0.913 50 S CB 1.377 64.549 63.200 -0.047 0.000 1.085 50 S HN 0.516 nan 8.310 nan 0.000 0.480 51 F N 2.643 122.579 119.950 -0.024 0.000 2.410 51 F HA 0.467 4.993 4.527 -0.001 0.000 0.349 51 F C 1.772 177.564 175.800 -0.013 0.000 1.117 51 F CA -0.598 57.394 58.000 -0.014 0.000 1.104 51 F CB 1.268 40.269 39.000 0.001 0.000 1.122 51 F HN 0.839 nan 8.300 nan 0.000 0.483 52 N N 1.049 119.812 118.700 0.105 0.000 2.436 52 N HA 0.012 4.751 4.740 -0.001 0.000 0.178 52 N C -0.361 175.220 175.510 0.118 0.000 1.026 52 N CA 0.738 53.834 53.050 0.076 0.000 0.880 52 N CB 0.593 39.098 38.487 0.030 0.000 1.061 52 N HN 0.549 nan 8.380 nan 0.000 0.434 53 T N 0.753 115.356 114.554 0.081 0.000 3.032 53 T HA 0.454 4.803 4.350 -0.001 0.000 0.312 53 T C -1.306 173.402 174.700 0.013 0.000 1.078 53 T CA -0.486 61.572 62.100 -0.068 0.000 1.028 53 T CB 2.599 71.290 68.868 -0.295 0.000 1.091 53 T HN -0.140 nan 8.240 nan 0.000 0.457 54 V N 2.759 122.695 119.914 0.036 0.000 2.462 54 V HA 0.762 4.882 4.120 -0.001 0.000 0.288 54 V C -0.148 176.008 176.094 0.104 0.000 1.020 54 V CA -0.497 61.862 62.300 0.099 0.000 0.857 54 V CB 1.615 33.501 31.823 0.104 0.000 1.013 54 V HN 0.974 nan 8.190 nan 0.000 0.431 55 T N 3.990 118.624 114.554 0.133 0.000 2.868 55 T HA 0.593 4.942 4.350 -0.001 0.000 0.306 55 T C -1.165 173.666 174.700 0.219 0.000 1.224 55 T CA -0.534 61.681 62.100 0.192 0.000 1.012 55 T CB 1.625 70.612 68.868 0.198 0.000 1.221 55 T HN 0.549 nan 8.240 nan 0.000 0.499 56 L N 3.283 124.625 121.223 0.198 0.000 2.540 56 L HA 0.462 4.801 4.340 -0.001 0.000 0.276 56 L C 0.314 177.274 176.870 0.151 0.000 1.212 56 L CA 0.226 55.158 54.840 0.154 0.000 0.893 56 L CB 0.281 42.414 42.059 0.125 0.000 1.138 56 L HN 0.608 nan 8.230 nan 0.000 0.491 57 R N 4.652 125.229 120.500 0.127 0.000 2.205 57 R HA 0.278 4.617 4.340 -0.001 0.000 0.342 57 R C -0.469 175.852 176.300 0.036 0.000 1.058 57 R CA -0.054 56.092 56.100 0.077 0.000 0.904 57 R CB -0.069 30.286 30.300 0.091 0.000 1.089 57 R HN 0.737 nan 8.270 nan 0.000 0.471 58 E N 5.296 125.501 120.200 0.008 0.000 2.398 58 E HA 0.114 4.463 4.350 -0.001 0.000 0.263 58 E C -1.944 174.659 176.600 0.004 0.000 1.046 58 E CA -1.522 54.872 56.400 -0.011 0.000 0.908 58 E CB 0.291 29.965 29.700 -0.044 0.000 0.963 58 E HN 0.522 nan 8.360 nan 0.000 0.431 59 P HA -0.037 nan 4.420 nan 0.000 0.268 59 P C -0.920 176.429 177.300 0.081 0.000 1.208 59 P CA 0.007 63.136 63.100 0.048 0.000 0.777 59 P CB 0.436 32.188 31.700 0.087 0.000 0.875 60 A N 2.699 125.567 122.820 0.079 0.000 2.555 60 A HA -0.062 4.257 4.320 -0.001 0.000 0.233 60 A C 1.842 179.495 177.584 0.115 0.000 1.060 60 A CA 0.117 52.214 52.037 0.101 0.000 0.759 60 A CB -0.305 18.742 19.000 0.078 0.000 0.995 60 A HN 0.675 nan 8.150 nan 0.000 0.506 61 R N 1.173 121.720 120.500 0.079 0.000 2.096 61 R HA -0.195 4.144 4.340 -0.001 0.000 0.240 61 R C 2.135 178.365 176.300 -0.118 0.000 1.139 61 R CA 2.217 58.225 56.100 -0.154 0.000 0.952 61 R CB -0.227 29.714 30.300 -0.598 0.000 0.854 61 R HN 0.872 nan 8.270 nan 0.000 0.436 62 K N -0.200 120.157 120.400 -0.072 0.000 2.032 62 K HA -0.160 4.159 4.320 -0.001 0.000 0.209 62 K C 1.961 178.572 176.600 0.019 0.000 1.048 62 K CA 1.603 57.865 56.287 -0.041 0.000 0.927 62 K CB -0.235 32.258 32.500 -0.012 0.000 0.712 62 K HN 0.263 nan 8.250 nan 0.000 0.441 63 A N 0.513 123.367 122.820 0.057 0.000 1.883 63 A HA -0.224 4.095 4.320 -0.001 0.000 0.217 63 A C 2.118 179.784 177.584 0.137 0.000 1.186 63 A CA 1.680 53.766 52.037 0.083 0.000 0.624 63 A CB -1.025 18.020 19.000 0.075 0.000 0.822 63 A HN 0.621 nan 8.150 nan 0.000 0.444 64 Y N 0.320 120.666 120.300 0.077 0.000 2.114 64 Y HA -0.177 4.372 4.550 -0.001 0.000 0.284 64 Y C 2.045 178.077 175.900 0.219 0.000 1.143 64 Y CA 1.942 60.141 58.100 0.164 0.000 1.135 64 Y CB -0.274 38.299 38.460 0.187 0.000 0.980 64 Y HN 0.258 nan 8.280 nan 0.000 0.499 65 I N 0.092 120.728 120.570 0.111 0.000 2.315 65 I HA -0.317 3.852 4.170 -0.001 0.000 0.248 65 I C 2.571 178.648 176.117 -0.066 0.000 1.117 65 I CA 1.585 62.887 61.300 0.004 0.000 1.404 65 I CB -0.447 37.550 38.000 -0.005 0.000 1.071 65 I HN 0.351 nan 8.210 nan 0.000 0.419 66 Q N 0.047 119.834 119.800 -0.022 0.000 2.084 66 Q HA -0.272 4.067 4.340 -0.001 0.000 0.202 66 Q C 2.116 178.093 176.000 -0.037 0.000 0.978 66 Q CA 2.009 57.797 55.803 -0.025 0.000 0.844 66 Q CB -0.214 28.529 28.738 0.010 0.000 0.898 66 Q HN 0.595 nan 8.270 nan 0.000 0.426 67 W N 1.347 122.531 121.300 -0.193 0.000 2.355 67 W HA -0.216 4.444 4.660 -0.001 0.000 0.309 67 W C 2.061 178.417 176.519 -0.272 0.000 1.206 67 W CA 1.899 59.112 57.345 -0.220 0.000 1.284 67 W CB -0.063 29.251 29.460 -0.244 0.000 1.145 67 W HN -0.015 nan 8.180 nan 0.000 0.502 68 K N 0.436 120.522 120.400 -0.524 0.000 2.167 68 K HA -0.073 4.246 4.320 -0.001 0.000 0.203 68 K C 1.534 177.844 176.600 -0.484 0.000 1.052 68 K CA 2.020 57.851 56.287 -0.760 0.000 0.956 68 K CB -0.164 32.018 32.500 -0.530 0.000 0.735 68 K HN 0.299 nan 8.250 nan 0.000 0.451 69 E N -1.180 118.839 120.200 -0.302 0.000 2.572 69 E HA 0.109 4.458 4.350 -0.001 0.000 0.220 69 E C 0.392 176.897 176.600 -0.157 0.000 0.945 69 E CA 0.029 56.316 56.400 -0.188 0.000 1.070 69 E CB 0.880 30.517 29.700 -0.105 0.000 1.090 69 E HN 0.245 nan 8.360 nan 0.000 0.506 70 Q N -0.404 119.295 119.800 -0.169 0.000 2.093 70 Q HA 0.197 4.536 4.340 -0.001 0.000 0.217 70 Q C 0.482 176.411 176.000 -0.117 0.000 0.785 70 Q CA 0.195 55.929 55.803 -0.115 0.000 1.038 70 Q CB 1.816 30.508 28.738 -0.076 0.000 1.190 70 Q HN 0.272 nan 8.270 nan 0.000 0.468 71 G N 1.084 109.778 108.800 -0.178 0.000 2.249 71 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.273 71 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.273 71 G C 0.400 175.247 174.900 -0.088 0.000 1.036 71 G CA 0.103 45.108 45.100 -0.159 0.000 0.824 71 G HN 0.469 nan 8.290 nan 0.000 0.504 72 G N -0.431 108.329 108.800 -0.067 0.000 2.588 72 G HA2 0.637 4.597 3.960 -0.001 0.000 0.281 72 G HA3 0.637 4.597 3.960 -0.001 0.000 0.281 72 G C -1.712 173.251 174.900 0.106 0.000 1.236 72 G CA -0.875 44.236 45.100 0.019 0.000 0.969 72 G HN 0.250 nan 8.290 nan 0.000 0.504 73 P HA 0.089 nan 4.420 nan 0.000 0.267 73 P C -0.159 177.246 177.300 0.176 0.000 1.200 73 P CA -0.405 62.762 63.100 0.112 0.000 0.772 73 P CB 0.564 32.301 31.700 0.063 0.000 0.855 74 L N 6.236 127.541 121.223 0.137 0.000 2.418 74 L HA 0.263 4.603 4.340 -0.001 0.000 0.274 74 L C -2.155 174.661 176.870 -0.090 0.000 1.135 74 L CA -1.528 53.306 54.840 -0.011 0.000 0.870 74 L CB -0.554 41.501 42.059 -0.006 0.000 1.154 74 L HN 0.289 nan 8.230 nan 0.000 0.462 75 P HA 0.246 nan 4.420 nan 0.000 0.271 75 P C -2.529 174.713 177.300 -0.098 0.000 1.216 75 P CA -0.962 62.075 63.100 -0.105 0.000 0.776 75 P CB -0.215 31.422 31.700 -0.105 0.000 0.881 76 P HA 0.126 nan 4.420 nan 0.000 0.266 76 P C -0.288 176.995 177.300 -0.029 0.000 1.195 76 P CA -0.046 63.038 63.100 -0.027 0.000 0.768 76 P CB 0.374 32.072 31.700 -0.003 0.000 0.838 77 R N 3.578 124.065 120.500 -0.022 0.000 2.210 77 R HA 0.370 4.709 4.340 -0.001 0.000 0.338 77 R C -0.954 175.359 176.300 0.022 0.000 1.062 77 R CA 0.197 56.292 56.100 -0.008 0.000 0.902 77 R CB -0.794 29.500 30.300 -0.010 0.000 1.050 77 R HN 0.441 nan 8.270 nan 0.000 0.461 78 L N 3.038 124.285 121.223 0.039 0.000 2.362 78 L HA 0.749 5.088 4.340 -0.001 0.000 0.271 78 L C -0.436 176.495 176.870 0.102 0.000 1.002 78 L CA -1.353 53.528 54.840 0.069 0.000 0.818 78 L CB 2.231 44.330 42.059 0.067 0.000 1.298 78 L HN 0.685 nan 8.230 nan 0.000 0.420 79 A N 1.980 124.880 122.820 0.134 0.000 2.318 79 A HA 0.556 4.875 4.320 -0.001 0.000 0.324 79 A C -1.488 176.246 177.584 0.251 0.000 1.170 79 A CA -0.360 51.784 52.037 0.178 0.000 0.810 79 A CB 0.873 19.967 19.000 0.156 0.000 1.198 79 A HN 0.591 nan 8.150 nan 0.000 0.484 80 Y N 3.389 123.755 120.300 0.110 0.000 2.320 80 Y HA 0.571 5.120 4.550 -0.001 0.000 0.334 80 Y C -0.754 175.223 175.900 0.128 0.000 1.055 80 Y CA -0.899 57.239 58.100 0.063 0.000 1.143 80 Y CB 0.713 39.193 38.460 0.033 0.000 1.193 80 Y HN 0.697 nan 8.280 nan 0.000 0.477 81 Y N 3.186 123.187 120.300 -0.498 0.000 2.536 81 Y HA 0.826 5.376 4.550 -0.001 0.000 0.347 81 Y C -1.961 173.572 175.900 -0.610 0.000 1.000 81 Y CA -1.743 56.123 58.100 -0.389 0.000 1.051 81 Y CB 1.153 39.599 38.460 -0.023 0.000 1.259 81 Y HN 0.345 nan 8.280 nan 0.000 0.468 82 V N 4.796 124.583 119.914 -0.211 0.000 2.577 82 V HA 0.552 4.672 4.120 -0.001 0.000 0.303 82 V C -0.239 175.828 176.094 -0.044 0.000 1.042 82 V CA -0.770 61.430 62.300 -0.165 0.000 0.872 82 V CB 1.391 33.152 31.823 -0.104 0.000 0.998 82 V HN 0.860 nan 8.190 nan 0.000 0.423 83 I N 2.396 122.901 120.570 -0.109 0.000 2.892 83 I HA 0.814 4.983 4.170 -0.001 0.000 0.306 83 I C -1.423 174.545 176.117 -0.248 0.000 1.078 83 I CA -1.134 59.998 61.300 -0.280 0.000 1.032 83 I CB 2.246 39.928 38.000 -0.530 0.000 1.229 83 I HN 0.333 nan 8.210 nan 0.000 0.435 84 L N 2.310 123.383 121.223 -0.250 0.000 2.330 84 L HA 0.579 4.919 4.340 -0.001 0.000 0.271 84 L C -0.283 176.451 176.870 -0.225 0.000 1.013 84 L CA -0.263 54.458 54.840 -0.197 0.000 0.816 84 L CB 1.672 43.653 42.059 -0.130 0.000 1.287 84 L HN 0.684 nan 8.230 nan 0.000 0.435 85 E N 1.104 121.193 120.200 -0.185 0.000 2.234 85 E HA 0.658 5.007 4.350 -0.001 0.000 0.266 85 E C -0.999 175.540 176.600 -0.102 0.000 0.877 85 E CA -1.048 55.253 56.400 -0.165 0.000 0.758 85 E CB 1.778 31.366 29.700 -0.187 0.000 1.170 85 E HN 0.720 nan 8.360 nan 0.000 0.415 86 A N 2.658 125.430 122.820 -0.079 0.000 2.567 86 A HA 0.378 4.697 4.320 -0.001 0.000 0.240 86 A C 1.215 178.774 177.584 -0.042 0.000 1.053 86 A CA 1.037 53.043 52.037 -0.051 0.000 0.755 86 A CB -0.498 18.480 19.000 -0.038 0.000 0.978 86 A HN 1.125 nan 8.150 nan 0.000 0.507 87 G N 1.571 110.351 108.800 -0.033 0.000 2.184 87 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.264 87 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.264 87 G C 0.200 175.085 174.900 -0.025 0.000 0.975 87 G CA 0.772 45.858 45.100 -0.024 0.000 0.642 87 G HN 0.756 nan 8.290 nan 0.000 0.536 88 K N 0.847 121.224 120.400 -0.038 0.000 2.259 88 K HA 0.541 4.860 4.320 -0.001 0.000 0.252 88 K C -2.312 174.264 176.600 -0.040 0.000 0.936 88 K CA -1.688 54.577 56.287 -0.038 0.000 0.810 88 K CB 2.571 35.039 32.500 -0.054 0.000 1.143 88 K HN 0.147 nan 8.250 nan 0.000 0.427 89 P HA 0.228 nan 4.420 nan 0.000 0.277 89 P C 0.537 177.813 177.300 -0.039 0.000 1.240 89 P CA 0.158 63.245 63.100 -0.023 0.000 0.798 89 P CB 0.781 32.478 31.700 -0.004 0.000 0.979 90 G N 0.525 109.300 108.800 -0.041 0.000 2.550 90 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.277 90 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.277 90 G C -0.307 174.529 174.900 -0.107 0.000 1.190 90 G CA 0.466 45.526 45.100 -0.067 0.000 0.971 90 G HN 1.003 nan 8.290 nan 0.000 0.559 91 V N -3.531 116.298 119.914 -0.142 0.000 3.181 91 V HA 0.941 5.061 4.120 -0.001 0.000 0.308 91 V C -0.498 175.503 176.094 -0.156 0.000 1.214 91 V CA -0.672 61.522 62.300 -0.177 0.000 1.053 91 V CB 1.944 33.613 31.823 -0.258 0.000 1.069 91 V HN 1.044 nan 8.190 nan 0.000 0.441 92 K N 1.167 121.470 120.400 -0.162 0.000 2.316 92 K HA 0.704 5.024 4.320 -0.001 0.000 0.251 92 K C -1.006 175.524 176.600 -0.117 0.000 0.934 92 K CA -0.557 55.666 56.287 -0.106 0.000 0.802 92 K CB 2.350 34.775 32.500 -0.125 0.000 1.171 92 K HN 1.008 nan 8.250 nan 0.000 0.426 93 E N 0.416 120.529 120.200 -0.145 0.000 2.416 93 E HA 0.800 5.149 4.350 -0.001 0.000 0.273 93 E C -0.468 175.780 176.600 -0.586 0.000 0.935 93 E CA -1.250 54.907 56.400 -0.405 0.000 0.784 93 E CB 2.248 31.868 29.700 -0.134 0.000 1.301 93 E HN 0.643 nan 8.360 nan 0.000 0.454 94 G N 0.276 108.396 108.800 -1.132 0.000 2.340 94 G HA2 0.408 4.368 3.960 -0.001 0.000 0.299 94 G HA3 0.408 4.368 3.960 -0.001 0.000 0.299 94 G C -1.823 172.784 174.900 -0.487 0.000 1.291 94 G CA -1.007 43.674 45.100 -0.698 0.000 0.841 94 G HN 0.410 nan 8.290 nan 0.000 0.500 95 L N 0.011 121.218 121.223 -0.025 0.000 2.386 95 L HA 0.700 5.039 4.340 -0.001 0.000 0.271 95 L C -0.566 176.431 176.870 0.213 0.000 0.993 95 L CA -1.168 53.756 54.840 0.139 0.000 0.819 95 L CB 2.302 44.423 42.059 0.102 0.000 1.294 95 L HN 0.336 nan 8.230 nan 0.000 0.414 96 V N 1.039 121.085 119.914 0.221 0.000 2.417 96 V HA 0.172 4.291 4.120 -0.001 0.000 0.291 96 V C -0.540 175.609 176.094 0.090 0.000 1.024 96 V CA -0.509 61.874 62.300 0.139 0.000 0.861 96 V CB 1.937 33.837 31.823 0.129 0.000 0.985 96 V HN 0.702 nan 8.190 nan 0.000 0.436 97 D N 3.614 124.049 120.400 0.058 0.000 2.336 97 D HA 0.253 4.892 4.640 -0.001 0.000 0.249 97 D C 0.996 177.317 176.300 0.035 0.000 1.213 97 D CA -0.108 53.917 54.000 0.042 0.000 0.870 97 D CB 0.955 41.773 40.800 0.030 0.000 1.076 97 D HN 0.449 nan 8.370 nan 0.000 0.483 98 L N 3.545 124.788 121.223 0.034 0.000 2.141 98 L HA -0.064 4.276 4.340 -0.001 0.000 0.209 98 L C 2.363 179.244 176.870 0.018 0.000 1.094 98 L CA 0.962 55.818 54.840 0.027 0.000 0.763 98 L CB -0.296 41.780 42.059 0.027 0.000 0.908 98 L HN 0.552 nan 8.230 nan 0.000 0.437 99 A N -0.184 122.645 122.820 0.015 0.000 1.969 99 A HA -0.167 4.152 4.320 -0.001 0.000 0.218 99 A C 2.360 179.952 177.584 0.013 0.000 1.169 99 A CA 1.884 53.928 52.037 0.012 0.000 0.635 99 A CB -0.402 18.603 19.000 0.009 0.000 0.810 99 A HN 0.491 nan 8.150 nan 0.000 0.445 100 S N -1.442 114.268 115.700 0.016 0.000 2.539 100 S HA 0.398 4.867 4.470 -0.001 0.000 0.221 100 S C 0.485 175.095 174.600 0.018 0.000 0.987 100 S CA 0.134 58.344 58.200 0.016 0.000 0.929 100 S CB -0.507 62.704 63.200 0.018 0.000 0.832 100 S HN 0.597 nan 8.310 nan 0.000 0.492 101 L N 2.140 123.374 121.223 0.018 0.000 3.795 101 L HA -0.175 4.165 4.340 -0.001 0.000 0.489 101 L C 0.037 176.920 176.870 0.022 0.000 1.259 101 L CA 0.526 55.376 54.840 0.018 0.000 0.765 101 L CB -2.369 39.698 42.059 0.014 0.000 1.519 101 L HN 0.697 nan 8.230 nan 0.000 0.842 102 S N -2.040 113.673 115.700 0.022 0.000 2.540 102 S HA 0.729 5.199 4.470 -0.001 0.000 0.275 102 S C -0.357 174.243 174.600 0.000 0.000 1.123 102 S CA -0.993 57.219 58.200 0.020 0.000 0.907 102 S CB 2.545 65.761 63.200 0.027 0.000 1.081 102 S HN 0.002 nan 8.310 nan 0.000 0.476 103 V N 3.838 123.718 119.914 -0.056 0.000 2.470 103 V HA 0.211 4.330 4.120 -0.001 0.000 0.276 103 V C 1.183 177.219 176.094 -0.097 0.000 1.040 103 V CA -0.004 62.210 62.300 -0.143 0.000 1.008 103 V CB 0.222 31.702 31.823 -0.571 0.000 0.990 103 V HN 0.914 nan 8.190 nan 0.000 0.477 104 I N 1.290 121.845 120.570 -0.025 0.000 4.181 104 I HA 0.533 4.703 4.170 -0.001 0.000 0.331 104 I C 0.577 176.694 176.117 -0.000 0.000 1.312 104 I CA 0.271 61.570 61.300 -0.003 0.000 1.146 104 I CB 0.518 38.530 38.000 0.020 0.000 1.074 104 I HN 0.618 nan 8.210 nan 0.000 0.402 105 E N 0.617 120.814 120.200 -0.005 0.000 2.354 105 E HA 0.468 4.817 4.350 -0.001 0.000 0.283 105 E C -1.379 175.219 176.600 -0.003 0.000 0.938 105 E CA -0.482 55.922 56.400 0.006 0.000 0.777 105 E CB 2.437 32.149 29.700 0.020 0.000 1.222 105 E HN 0.083 nan 8.360 nan 0.000 0.423 106 T N 2.706 117.271 114.554 0.018 0.000 2.932 106 T HA 0.658 5.007 4.350 -0.001 0.000 0.318 106 T C -1.918 172.829 174.700 0.078 0.000 1.265 106 T CA -0.672 61.463 62.100 0.058 0.000 1.036 106 T CB 0.928 69.859 68.868 0.104 0.000 1.209 106 T HN 0.624 nan 8.240 nan 0.000 0.484 107 R N 1.731 122.276 120.500 0.076 0.000 2.663 107 R HA 0.824 5.163 4.340 -0.001 0.000 0.267 107 R C -1.634 174.701 176.300 0.058 0.000 1.038 107 R CA -1.184 54.960 56.100 0.073 0.000 0.886 107 R CB 1.158 31.488 30.300 0.051 0.000 1.249 107 R HN 0.669 nan 8.270 nan 0.000 0.463 108 A N 3.184 126.037 122.820 0.055 0.000 2.292 108 A HA 0.627 4.946 4.320 -0.001 0.000 0.319 108 A C -0.591 176.994 177.584 0.002 0.000 1.206 108 A CA -0.869 51.181 52.037 0.022 0.000 0.835 108 A CB 0.665 19.687 19.000 0.036 0.000 1.164 108 A HN 0.612 nan 8.150 nan 0.000 0.505 109 L N 3.101 124.304 121.223 -0.033 0.000 2.384 109 L HA 0.322 4.661 4.340 -0.001 0.000 0.261 109 L C 0.645 177.487 176.870 -0.048 0.000 1.024 109 L CA -0.078 54.740 54.840 -0.037 0.000 0.899 109 L CB 1.230 43.251 42.059 -0.064 0.000 1.243 109 L HN 0.902 nan 8.230 nan 0.000 0.449 110 E N 0.382 120.571 120.200 -0.018 0.000 2.427 110 E HA -0.063 4.286 4.350 -0.001 0.000 0.196 110 E C 0.883 177.483 176.600 0.000 0.000 1.028 110 E CA 0.976 57.368 56.400 -0.013 0.000 0.864 110 E CB 0.342 30.043 29.700 0.002 0.000 0.813 110 E HN 0.666 nan 8.360 nan 0.000 0.514 111 T N -1.881 112.678 114.554 0.009 0.000 3.296 111 T HA 0.301 4.650 4.350 -0.001 0.000 0.285 111 T C 0.118 174.849 174.700 0.052 0.000 1.014 111 T CA -0.522 61.602 62.100 0.040 0.000 0.920 111 T CB -0.167 68.735 68.868 0.056 0.000 1.143 111 T HN -0.012 nan 8.240 nan 0.000 0.522 112 V N -2.305 117.615 119.914 0.010 0.000 3.074 112 V HA 0.838 4.957 4.120 -0.001 0.000 0.314 112 V C -1.638 174.447 176.094 -0.014 0.000 1.117 112 V CA -1.074 61.236 62.300 0.016 0.000 1.014 112 V CB 2.393 34.202 31.823 -0.024 0.000 1.057 112 V HN 0.163 nan 8.190 nan 0.000 0.438 113 Q N 1.732 121.551 119.800 0.031 0.000 2.394 113 Q HA 0.668 5.007 4.340 -0.001 0.000 0.273 113 Q C -2.872 173.155 176.000 0.045 0.000 1.089 113 Q CA -1.651 54.161 55.803 0.015 0.000 0.812 113 Q CB 2.922 31.689 28.738 0.049 0.000 1.353 113 Q HN 0.738 nan 8.270 nan 0.000 0.438 114 P HA 0.371 nan 4.420 nan 0.000 0.288 114 P C -0.089 177.265 177.300 0.090 0.000 1.297 114 P CA -0.871 62.303 63.100 0.123 0.000 0.864 114 P CB 1.345 33.094 31.700 0.082 0.000 1.237 115 I N 0.279 120.922 120.570 0.122 0.000 2.948 115 I HA -0.105 4.065 4.170 -0.001 0.000 0.303 115 I C -0.090 176.076 176.117 0.082 0.000 1.224 115 I CA 0.252 61.598 61.300 0.076 0.000 1.442 115 I CB 0.046 38.157 38.000 0.185 0.000 1.328 115 I HN 0.117 nan 8.210 nan 0.000 0.578 116 L N 7.526 128.764 121.223 0.024 0.000 2.276 116 L HA 0.287 4.626 4.340 -0.001 0.000 0.286 116 L C 0.594 177.533 176.870 0.115 0.000 1.061 116 L CA -0.499 54.386 54.840 0.075 0.000 0.807 116 L CB 1.171 43.300 42.059 0.117 0.000 1.177 116 L HN 0.669 nan 8.230 nan 0.000 0.429 117 T N -0.566 113.979 114.554 -0.014 0.000 2.847 117 T HA 0.237 4.586 4.350 -0.001 0.000 0.279 117 T C 1.337 175.983 174.700 -0.089 0.000 0.984 117 T CA -0.884 61.078 62.100 -0.230 0.000 0.988 117 T CB 1.492 70.109 68.868 -0.419 0.000 1.040 117 T HN 0.200 nan 8.240 nan 0.000 0.528 118 V N 1.181 121.019 119.914 -0.127 0.000 2.332 118 V HA -0.164 3.955 4.120 -0.001 0.000 0.248 118 V C 2.852 178.947 176.094 0.002 0.000 1.055 118 V CA 2.151 64.444 62.300 -0.010 0.000 1.038 118 V CB -1.058 30.778 31.823 0.021 0.000 0.651 118 V HN 0.938 nan 8.190 nan 0.000 0.450 119 E N -0.110 120.071 120.200 -0.032 0.000 2.085 119 E HA -0.259 4.091 4.350 -0.001 0.000 0.194 119 E C 1.983 178.590 176.600 0.012 0.000 0.994 119 E CA 1.588 57.985 56.400 -0.005 0.000 0.801 119 E CB -0.217 29.473 29.700 -0.016 0.000 0.743 119 E HN 0.646 nan 8.360 nan 0.000 0.453 120 D N 0.551 120.956 120.400 0.008 0.000 2.144 120 D HA -0.126 4.513 4.640 -0.001 0.000 0.200 120 D C 2.115 178.456 176.300 0.069 0.000 0.978 120 D CA 0.773 54.795 54.000 0.037 0.000 0.833 120 D CB -0.147 40.677 40.800 0.040 0.000 0.961 120 D HN 0.199 nan 8.370 nan 0.000 0.470 121 L N 0.268 121.540 121.223 0.082 0.000 2.093 121 L HA -0.132 4.207 4.340 -0.001 0.000 0.208 121 L C 2.523 179.446 176.870 0.088 0.000 1.085 121 L CA 0.734 55.635 54.840 0.102 0.000 0.755 121 L CB -0.418 41.697 42.059 0.093 0.000 0.904 121 L HN 0.110 nan 8.230 nan 0.000 0.435 122 C N -0.405 118.936 119.300 0.069 0.000 2.448 122 C HA -0.075 4.384 4.460 -0.001 0.000 0.280 122 C C 3.144 178.167 174.990 0.055 0.000 1.398 122 C CA 0.932 59.989 59.018 0.065 0.000 1.774 122 C CB -0.824 26.950 27.740 0.056 0.000 1.888 122 C HN 0.668 nan 8.230 nan 0.000 0.519 123 S N 0.399 116.128 115.700 0.048 0.000 2.453 123 S HA -0.120 4.349 4.470 -0.001 0.000 0.231 123 S C 1.468 176.091 174.600 0.038 0.000 1.005 123 S CA 1.747 59.969 58.200 0.037 0.000 0.949 123 S CB -0.800 62.418 63.200 0.030 0.000 0.774 123 S HN 0.610 nan 8.310 nan 0.000 0.510 124 T N 2.150 116.736 114.554 0.054 0.000 2.857 124 T HA 0.017 4.366 4.350 -0.001 0.000 0.266 124 T C 1.613 176.340 174.700 0.046 0.000 1.048 124 T CA 1.358 63.490 62.100 0.055 0.000 1.139 124 T CB -0.303 68.613 68.868 0.080 0.000 0.874 124 T HN 0.551 nan 8.240 nan 0.000 0.455 125 E N 0.934 121.160 120.200 0.043 0.000 2.085 125 E HA -0.181 4.168 4.350 -0.001 0.000 0.194 125 E C 2.286 178.883 176.600 -0.005 0.000 0.994 125 E CA 1.098 57.507 56.400 0.015 0.000 0.801 125 E CB -0.071 29.623 29.700 -0.010 0.000 0.743 125 E HN 0.578 nan 8.360 nan 0.000 0.453 126 E N 0.257 120.457 120.200 -0.000 0.000 2.118 126 E HA -0.193 4.156 4.350 -0.001 0.000 0.195 126 E C 2.014 178.617 176.600 0.004 0.000 0.992 126 E CA 1.150 57.548 56.400 -0.003 0.000 0.804 126 E CB 0.187 29.889 29.700 0.002 0.000 0.741 126 E HN 0.065 nan 8.360 nan 0.000 0.458 127 V N 1.924 121.845 119.914 0.012 0.000 2.261 127 V HA -0.270 3.850 4.120 -0.001 0.000 0.246 127 V C 2.506 178.611 176.094 0.018 0.000 1.047 127 V CA 2.023 64.331 62.300 0.013 0.000 1.015 127 V CB -0.657 31.176 31.823 0.015 0.000 0.642 127 V HN 0.501 nan 8.190 nan 0.000 0.446 128 I N -1.354 119.233 120.570 0.028 0.000 2.439 128 I HA -0.143 4.026 4.170 -0.001 0.000 0.251 128 I C 2.525 178.665 176.117 0.038 0.000 1.139 128 I CA 1.471 62.797 61.300 0.044 0.000 1.438 128 I CB -0.573 37.470 38.000 0.071 0.000 1.085 128 I HN 0.063 nan 8.210 nan 0.000 0.427 129 R N 1.265 121.776 120.500 0.019 0.000 2.152 129 R HA -0.015 4.324 4.340 -0.001 0.000 0.232 129 R C 1.247 177.555 176.300 0.013 0.000 1.117 129 R CA 1.314 57.420 56.100 0.011 0.000 0.981 129 R CB -0.376 29.916 30.300 -0.013 0.000 0.870 129 R HN 0.548 nan 8.270 nan 0.000 0.451 130 N N 0.541 119.247 118.700 0.009 0.000 2.205 130 N HA -0.037 4.702 4.740 -0.001 0.000 0.201 130 N C -0.657 174.854 175.510 0.002 0.000 1.128 130 N CA 0.146 53.199 53.050 0.005 0.000 0.867 130 N CB 0.498 38.986 38.487 0.003 0.000 0.996 130 N HN 0.153 nan 8.380 nan 0.000 0.503 131 D N 1.188 121.591 120.400 0.004 0.000 2.295 131 D HA 0.170 4.809 4.640 -0.001 0.000 0.248 131 D C -1.572 174.719 176.300 -0.015 0.000 1.154 131 D CA -1.941 52.056 54.000 -0.004 0.000 0.857 131 D CB 1.899 42.700 40.800 0.001 0.000 1.117 131 D HN -0.103 nan 8.370 nan 0.000 0.468 132 P HA -0.199 nan 4.420 nan 0.000 0.216 132 P C 0.828 178.094 177.300 -0.057 0.000 1.153 132 P CA 1.383 64.462 63.100 -0.034 0.000 0.858 132 P CB 0.152 31.834 31.700 -0.031 0.000 0.789 133 A N -0.921 121.860 122.820 -0.066 0.000 1.930 133 A HA -0.123 4.196 4.320 -0.001 0.000 0.217 133 A C 2.315 179.813 177.584 -0.143 0.000 1.175 133 A CA 1.591 53.565 52.037 -0.105 0.000 0.627 133 A CB -1.573 17.364 19.000 -0.106 0.000 0.815 133 A HN 0.036 nan 8.150 nan 0.000 0.443 134 V N 0.288 120.149 119.914 -0.088 0.000 2.358 134 V HA -0.247 3.872 4.120 -0.001 0.000 0.246 134 V C 2.406 178.445 176.094 -0.092 0.000 1.047 134 V CA 1.900 64.156 62.300 -0.074 0.000 1.035 134 V CB -0.710 31.150 31.823 0.061 0.000 0.658 134 V HN 0.570 nan 8.190 nan 0.000 0.452 135 I N 0.117 120.657 120.570 -0.050 0.000 2.151 135 I HA -0.314 3.855 4.170 -0.001 0.000 0.243 135 I C 2.616 178.683 176.117 -0.083 0.000 1.080 135 I CA 2.132 63.410 61.300 -0.037 0.000 1.339 135 I CB -0.438 37.549 38.000 -0.022 0.000 1.039 135 I HN 0.423 nan 8.210 nan 0.000 0.409 136 E N 0.608 120.739 120.200 -0.116 0.000 2.070 136 E HA -0.283 4.066 4.350 -0.001 0.000 0.197 136 E C 2.210 178.686 176.600 -0.208 0.000 1.004 136 E CA 1.327 57.645 56.400 -0.137 0.000 0.805 136 E CB 0.079 29.698 29.700 -0.134 0.000 0.744 136 E HN 0.439 nan 8.360 nan 0.000 0.451 137 Q N -0.115 119.467 119.800 -0.364 0.000 2.167 137 Q HA -0.129 4.210 4.340 -0.001 0.000 0.202 137 Q C 2.390 178.138 176.000 -0.421 0.000 0.970 137 Q CA 1.072 56.498 55.803 -0.628 0.000 0.855 137 Q CB -0.561 27.317 28.738 -1.435 0.000 0.911 137 Q HN 0.450 nan 8.270 nan 0.000 0.438 138 C N -0.251 118.936 119.300 -0.187 0.000 2.446 138 C HA -0.053 4.406 4.460 -0.001 0.000 0.277 138 C C 2.858 177.845 174.990 -0.005 0.000 1.275 138 C CA 0.366 59.416 59.018 0.054 0.000 1.727 138 C CB -0.912 26.894 27.740 0.110 0.000 2.010 138 C HN 0.250 nan 8.230 nan 0.000 0.486 139 V N 1.044 120.931 119.914 -0.046 0.000 2.343 139 V HA -0.217 3.903 4.120 -0.001 0.000 0.247 139 V C 2.330 178.394 176.094 -0.049 0.000 1.051 139 V CA 1.765 64.040 62.300 -0.042 0.000 1.036 139 V CB -0.656 31.140 31.823 -0.044 0.000 0.654 139 V HN 0.556 nan 8.190 nan 0.000 0.451 140 L N -0.104 121.076 121.223 -0.073 0.000 2.191 140 L HA -0.126 4.213 4.340 -0.001 0.000 0.212 140 L C 2.256 179.106 176.870 -0.033 0.000 1.103 140 L CA 1.324 56.126 54.840 -0.063 0.000 0.769 140 L CB -0.405 41.598 42.059 -0.094 0.000 0.908 140 L HN 0.302 nan 8.230 nan 0.000 0.438 141 S N -0.724 114.970 115.700 -0.010 0.000 2.593 141 S HA 0.170 4.639 4.470 -0.001 0.000 0.217 141 S C 1.349 175.938 174.600 -0.019 0.000 0.966 141 S CA 0.693 58.911 58.200 0.029 0.000 0.914 141 S CB 0.523 63.811 63.200 0.148 0.000 0.776 141 S HN 0.650 nan 8.310 nan 0.000 0.523 142 G N 1.335 110.111 108.800 -0.039 0.000 2.148 142 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.203 142 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.203 142 G C -0.088 174.753 174.900 -0.099 0.000 0.993 142 G CA -0.477 44.584 45.100 -0.064 0.000 0.661 142 G HN 0.475 nan 8.290 nan 0.000 0.518 143 I N 1.914 122.433 120.570 -0.085 0.000 2.330 143 I HA 0.340 4.509 4.170 -0.001 0.000 0.289 143 I C -2.118 173.986 176.117 -0.021 0.000 1.001 143 I CA -2.523 58.726 61.300 -0.086 0.000 1.193 143 I CB 1.916 39.872 38.000 -0.072 0.000 1.345 143 I HN -0.164 nan 8.210 nan 0.000 0.461 144 P HA 0.032 nan 4.420 nan 0.000 0.269 144 P C 0.551 177.864 177.300 0.023 0.000 1.215 144 P CA -0.087 63.019 63.100 0.009 0.000 0.780 144 P CB 0.881 32.594 31.700 0.021 0.000 0.898 145 A N 3.271 126.100 122.820 0.015 0.000 1.986 145 A HA -0.223 4.096 4.320 -0.001 0.000 0.220 145 A C 1.550 179.156 177.584 0.037 0.000 1.171 145 A CA 1.949 53.997 52.037 0.018 0.000 0.640 145 A CB -1.251 17.752 19.000 0.005 0.000 0.811 145 A HN 0.726 nan 8.150 nan 0.000 0.451 146 N N -0.927 117.800 118.700 0.046 0.000 2.449 146 N HA 0.017 4.756 4.740 -0.001 0.000 0.191 146 N C 0.339 175.922 175.510 0.122 0.000 1.161 146 N CA 0.761 53.852 53.050 0.069 0.000 0.863 146 N CB 0.092 38.613 38.487 0.055 0.000 0.980 146 N HN 0.296 nan 8.380 nan 0.000 0.458 147 E N -0.250 120.011 120.200 0.102 0.000 2.558 147 E HA 0.263 4.613 4.350 -0.001 0.000 0.205 147 E C 1.093 177.703 176.600 0.017 0.000 1.006 147 E CA -0.172 56.279 56.400 0.086 0.000 0.961 147 E CB 0.059 29.807 29.700 0.081 0.000 1.044 147 E HN 0.119 nan 8.360 nan 0.000 0.465 148 M N 0.251 119.889 119.600 0.064 0.000 2.358 148 M HA -0.132 4.348 4.480 -0.001 0.000 0.264 148 M C 1.757 178.044 176.300 -0.022 0.000 1.064 148 M CA 1.170 56.489 55.300 0.033 0.000 1.093 148 M CB -1.083 31.542 32.600 0.042 0.000 1.401 148 M HN 0.373 nan 8.290 nan 0.000 0.440 149 H N -0.596 118.455 119.070 -0.032 0.000 2.545 149 H HA -0.017 4.539 4.556 -0.001 0.000 0.282 149 H C 1.024 176.279 175.328 -0.121 0.000 1.020 149 H CA 0.871 56.861 56.048 -0.096 0.000 1.243 149 H CB -0.319 29.410 29.762 -0.055 0.000 1.377 149 H HN 0.367 nan 8.280 nan 0.000 0.581 150 K N 0.894 120.993 120.400 -0.501 0.000 2.393 150 K HA 0.192 4.511 4.320 -0.001 0.000 0.193 150 K C 0.050 176.654 176.600 0.006 0.000 1.026 150 K CA -0.058 56.055 56.287 -0.291 0.000 1.064 150 K CB 1.127 33.450 32.500 -0.294 0.000 0.833 150 K HN 0.020 nan 8.250 nan 0.000 0.521 151 V N 1.970 121.861 119.914 -0.039 0.000 2.432 151 V HA 0.210 4.329 4.120 -0.001 0.000 0.275 151 V C -0.591 175.438 176.094 -0.107 0.000 1.043 151 V CA -0.488 61.864 62.300 0.085 0.000 0.925 151 V CB 0.243 32.127 31.823 0.101 0.000 0.985 151 V HN 0.052 nan 8.190 nan 0.000 0.466 152 Y N 2.933 123.273 120.300 0.066 0.000 2.598 152 Y HA 0.742 5.291 4.550 -0.001 0.000 0.340 152 Y C 0.300 176.266 175.900 0.110 0.000 1.038 152 Y CA -0.709 57.428 58.100 0.063 0.000 1.100 152 Y CB 2.158 40.629 38.460 0.017 0.000 1.281 152 Y HN 0.832 nan 8.280 nan 0.000 0.488 153 C N -1.167 118.297 119.300 0.274 0.000 2.985 153 C HA 0.594 5.053 4.460 -0.001 0.000 0.314 153 C C -1.615 173.542 174.990 0.278 0.000 1.215 153 C CA -1.061 58.110 59.018 0.255 0.000 1.414 153 C CB 1.431 29.260 27.740 0.148 0.000 1.842 153 C HN 0.724 nan 8.230 nan 0.000 0.477 154 D N 4.296 124.907 120.400 0.352 0.000 2.380 154 D HA 0.390 5.029 4.640 -0.001 0.000 0.230 154 D C -2.272 174.287 176.300 0.432 0.000 1.154 154 D CA -1.263 52.976 54.000 0.399 0.000 0.859 154 D CB 1.519 42.660 40.800 0.569 0.000 1.045 154 D HN 0.530 nan 8.370 nan 0.000 0.495 155 P HA 0.150 nan 4.420 nan 0.000 0.226 155 P C -0.407 177.139 177.300 0.409 0.000 1.832 155 P CA -0.657 62.624 63.100 0.301 0.000 1.092 155 P CB -0.229 31.589 31.700 0.197 0.000 1.873 156 W N 1.100 122.482 121.300 0.136 0.000 2.123 156 W HA 0.148 4.807 4.660 -0.001 0.000 0.351 156 W C 1.594 178.238 176.519 0.207 0.000 1.292 156 W CA 0.305 57.785 57.345 0.224 0.000 1.263 156 W CB -0.330 29.222 29.460 0.154 0.000 1.165 156 W HN 0.111 nan 8.180 nan 0.000 0.590 157 T N 2.171 116.997 114.554 0.453 0.000 2.906 157 T HA -0.065 4.284 4.350 -0.001 0.000 0.320 157 T C 1.248 176.078 174.700 0.218 0.000 1.088 157 T CA -0.228 61.999 62.100 0.213 0.000 1.120 157 T CB 0.270 69.162 68.868 0.040 0.000 1.000 157 T HN 0.440 nan 8.240 nan 0.000 0.550 158 I N 2.725 123.368 120.570 0.122 0.000 2.700 158 I HA 0.042 4.211 4.170 -0.001 0.000 0.261 158 I C 1.716 177.874 176.117 0.069 0.000 1.219 158 I CA 1.533 62.881 61.300 0.080 0.000 1.463 158 I CB -0.795 37.232 38.000 0.045 0.000 1.092 158 I HN 1.105 nan 8.210 nan 0.000 0.452 159 G N 0.425 109.272 108.800 0.078 0.000 4.766 159 G HA2 -0.385 3.574 3.960 -0.001 0.000 0.314 159 G HA3 -0.385 3.574 3.960 -0.001 0.000 0.314 159 G C -0.008 175.002 174.900 0.184 0.000 1.427 159 G CA 0.510 45.623 45.100 0.022 0.000 1.024 159 G HN 0.438 nan 8.290 nan 0.000 0.754 160 Y N 1.966 122.305 120.300 0.064 0.000 2.399 160 Y HA 0.595 5.144 4.550 -0.002 0.000 0.327 160 Y C -2.096 173.861 175.900 0.095 0.000 1.111 160 Y CA -0.628 57.531 58.100 0.098 0.000 1.047 160 Y CB 2.149 40.664 38.460 0.091 0.000 1.259 160 Y HN 0.455 nan 8.280 nan 0.000 0.434 161 D N 5.451 125.462 120.400 -0.649 0.000 2.620 161 D HA 0.125 4.765 4.640 -0.001 0.000 0.252 161 D C 0.480 176.332 176.300 -0.747 0.000 1.207 161 D CA -0.257 53.463 54.000 -0.466 0.000 0.884 161 D CB 1.524 42.326 40.800 0.003 0.000 1.262 161 D HN 0.848 nan 8.370 nan 0.000 0.552 162 E N 3.680 123.501 120.200 -0.632 0.000 2.472 162 E HA -0.153 4.197 4.350 -0.001 0.000 0.200 162 E C 0.851 177.231 176.600 -0.366 0.000 1.046 162 E CA 0.474 56.635 56.400 -0.399 0.000 0.871 162 E CB 0.028 29.674 29.700 -0.091 0.000 0.806 162 E HN 0.462 nan 8.360 nan 0.000 0.533 163 R N -0.585 119.591 120.500 -0.540 0.000 2.148 163 R HA 0.023 4.362 4.340 -0.001 0.000 0.223 163 R C 1.330 177.055 176.300 -0.958 0.000 1.088 163 R CA 1.355 56.908 56.100 -0.912 0.000 0.985 163 R CB 0.037 29.395 30.300 -1.570 0.000 0.880 163 R HN 0.332 nan 8.270 nan 0.000 0.451 164 W N -0.687 120.506 121.300 -0.178 0.000 2.592 164 W HA 0.323 4.982 4.660 -0.001 0.000 0.306 164 W C 1.007 177.478 176.519 -0.080 0.000 0.991 164 W CA 0.436 57.712 57.345 -0.114 0.000 1.430 164 W CB -0.016 29.385 29.460 -0.099 0.000 1.017 164 W HN 0.220 nan 8.180 nan 0.000 0.557 165 G N 2.134 110.959 108.800 0.040 0.000 2.611 165 G HA2 -0.423 3.536 3.960 -0.001 0.000 0.301 165 G HA3 -0.423 3.536 3.960 -0.001 0.000 0.301 165 G C 0.766 175.780 174.900 0.190 0.000 1.233 165 G CA 2.102 47.286 45.100 0.139 0.000 0.993 165 G HN 0.141 nan 8.290 nan 0.000 0.553 166 T N -1.624 113.047 114.554 0.195 0.000 3.145 166 T HA 0.491 4.840 4.350 -0.001 0.000 0.255 166 T C 2.029 176.795 174.700 0.110 0.000 1.039 166 T CA 1.060 63.254 62.100 0.155 0.000 0.928 166 T CB 0.638 69.599 68.868 0.154 0.000 1.029 166 T HN 1.558 nan 8.240 nan 0.000 0.554 167 G N 1.565 110.438 108.800 0.122 0.000 2.471 167 G HA2 0.081 4.040 3.960 -0.001 0.000 0.219 167 G HA3 0.081 4.040 3.960 -0.001 0.000 0.219 167 G C 0.401 175.343 174.900 0.069 0.000 1.125 167 G CA 0.063 45.221 45.100 0.097 0.000 0.775 167 G HN 0.506 nan 8.290 nan 0.000 0.548 168 K N -0.740 119.695 120.400 0.059 0.000 2.435 168 K HA 0.426 4.746 4.320 -0.001 0.000 0.251 168 K C -0.819 175.774 176.600 -0.011 0.000 0.954 168 K CA -0.939 55.346 56.287 -0.002 0.000 0.820 168 K CB 2.339 34.796 32.500 -0.072 0.000 1.292 168 K HN -0.048 nan 8.250 nan 0.000 0.436 169 R N 2.927 123.411 120.500 -0.025 0.000 2.248 169 R HA 0.298 4.637 4.340 -0.001 0.000 0.328 169 R C -1.044 175.232 176.300 -0.041 0.000 1.067 169 R CA -0.103 55.987 56.100 -0.017 0.000 0.924 169 R CB 0.123 30.414 30.300 -0.016 0.000 1.013 169 R HN 0.487 nan 8.270 nan 0.000 0.454 170 L N 3.888 125.092 121.223 -0.032 0.000 2.381 170 L HA 0.450 4.789 4.340 -0.001 0.000 0.268 170 L C -0.420 176.448 176.870 -0.003 0.000 0.997 170 L CA -0.922 53.879 54.840 -0.065 0.000 0.818 170 L CB 2.391 44.368 42.059 -0.137 0.000 1.310 170 L HN 0.585 nan 8.230 nan 0.000 0.416 171 Q N 1.630 121.432 119.800 0.004 0.000 2.348 171 Q HA 0.432 4.771 4.340 -0.001 0.000 0.271 171 Q C -1.285 174.746 176.000 0.051 0.000 1.067 171 Q CA -0.852 54.994 55.803 0.071 0.000 0.839 171 Q CB 2.864 31.665 28.738 0.106 0.000 1.354 171 Q HN 0.521 nan 8.270 nan 0.000 0.447 172 Q N 0.019 119.874 119.800 0.092 0.000 2.307 172 Q HA 0.713 5.052 4.340 -0.001 0.000 0.262 172 Q C -1.257 174.772 176.000 0.049 0.000 0.961 172 Q CA -0.885 54.941 55.803 0.038 0.000 0.882 172 Q CB 1.569 30.298 28.738 -0.014 0.000 1.264 172 Q HN 0.559 nan 8.270 nan 0.000 0.446 173 A N 5.593 128.433 122.820 0.032 0.000 2.391 173 A HA 0.364 4.683 4.320 -0.001 0.000 0.316 173 A C -0.144 177.417 177.584 -0.039 0.000 1.381 173 A CA -0.709 51.355 52.037 0.045 0.000 0.998 173 A CB -0.053 18.982 19.000 0.059 0.000 1.147 173 A HN 0.847 nan 8.150 nan 0.000 0.545 174 L N 4.134 125.327 121.223 -0.049 0.000 2.385 174 L HA 0.270 4.610 4.340 -0.001 0.000 0.281 174 L C 0.063 176.854 176.870 -0.133 0.000 1.106 174 L CA -0.500 54.246 54.840 -0.155 0.000 0.856 174 L CB 0.393 42.334 42.059 -0.196 0.000 1.186 174 L HN 0.554 nan 8.230 nan 0.000 0.453 175 V N 1.284 120.973 119.914 -0.375 0.000 2.539 175 V HA 0.534 4.654 4.120 -0.001 0.000 0.292 175 V C -0.635 175.136 176.094 -0.539 0.000 1.045 175 V CA -0.719 61.388 62.300 -0.322 0.000 0.945 175 V CB 1.035 32.607 31.823 -0.419 0.000 0.993 175 V HN 0.465 nan 8.190 nan 0.000 0.464 176 Y N 2.122 122.418 120.300 -0.006 0.000 2.609 176 Y HA 0.665 5.214 4.550 -0.001 0.000 0.342 176 Y C -0.885 175.127 175.900 0.186 0.000 1.058 176 Y CA -0.903 57.221 58.100 0.040 0.000 1.055 176 Y CB 2.263 40.670 38.460 -0.088 0.000 1.292 176 Y HN 0.766 nan 8.280 nan 0.000 0.476 177 Y N 1.534 121.993 120.300 0.265 0.000 2.409 177 Y HA 0.679 5.228 4.550 -0.001 0.000 0.343 177 Y C -1.046 175.000 175.900 0.243 0.000 0.973 177 Y CA -1.330 56.908 58.100 0.230 0.000 1.064 177 Y CB 1.261 39.833 38.460 0.186 0.000 1.207 177 Y HN 0.543 nan 8.280 nan 0.000 0.452 178 R N 3.230 123.399 120.500 -0.551 0.000 2.437 178 R HA 0.254 4.593 4.340 -0.001 0.000 0.310 178 R C 0.765 176.390 176.300 -1.126 0.000 0.955 178 R CA 0.027 55.679 56.100 -0.748 0.000 0.851 178 R CB 1.722 31.684 30.300 -0.563 0.000 1.161 178 R HN 0.925 nan 8.270 nan 0.000 0.446 179 S N 0.801 115.856 115.700 -1.075 0.000 2.428 179 S HA -0.112 4.357 4.470 -0.001 0.000 0.230 179 S C 0.459 174.835 174.600 -0.373 0.000 1.014 179 S CA 0.846 58.703 58.200 -0.572 0.000 0.957 179 S CB 0.030 63.081 63.200 -0.248 0.000 0.784 179 S HN 0.686 nan 8.310 nan 0.000 0.499 180 D N -0.254 119.890 120.400 -0.427 0.000 2.753 180 D HA 0.225 4.864 4.640 -0.001 0.000 0.224 180 D C 0.689 176.828 176.300 -0.269 0.000 1.213 180 D CA -0.478 53.373 54.000 -0.249 0.000 0.833 180 D CB 1.449 42.133 40.800 -0.194 0.000 1.607 180 D HN 0.157 nan 8.370 nan 0.000 0.463 181 E N 1.304 121.415 120.200 -0.147 0.000 2.267 181 E HA -0.225 4.125 4.350 -0.001 0.000 0.197 181 E C 0.101 176.564 176.600 -0.228 0.000 0.998 181 E CA 1.088 57.408 56.400 -0.132 0.000 0.830 181 E CB 0.003 29.692 29.700 -0.018 0.000 0.751 181 E HN 0.375 nan 8.360 nan 0.000 0.491 182 D N 1.113 121.377 120.400 -0.227 0.000 2.339 182 D HA 0.043 4.682 4.640 -0.001 0.000 0.217 182 D C -0.296 175.831 176.300 -0.288 0.000 1.050 182 D CA 0.173 54.018 54.000 -0.258 0.000 0.856 182 D CB -0.085 40.577 40.800 -0.231 0.000 0.922 182 D HN 0.136 nan 8.370 nan 0.000 0.518 183 D N 0.237 120.413 120.400 -0.373 0.000 2.382 183 D HA -0.010 4.629 4.640 -0.001 0.000 0.240 183 D C 0.185 176.245 176.300 -0.400 0.000 1.146 183 D CA 0.311 54.022 54.000 -0.480 0.000 0.897 183 D CB 0.853 41.216 40.800 -0.728 0.000 1.197 183 D HN -0.204 nan 8.370 nan 0.000 0.432 184 S N 0.474 115.963 115.700 -0.351 0.000 2.439 184 S HA 0.018 4.488 4.470 -0.001 0.000 0.282 184 S C 1.230 175.804 174.600 -0.044 0.000 1.170 184 S CA -0.610 57.493 58.200 -0.161 0.000 1.054 184 S CB 0.437 63.596 63.200 -0.069 0.000 0.956 184 S HN 0.376 nan 8.310 nan 0.000 0.490 185 Q N 4.227 123.891 119.800 -0.226 0.000 2.436 185 Q HA -0.109 4.230 4.340 -0.001 0.000 0.209 185 Q C 0.288 176.210 176.000 -0.130 0.000 0.965 185 Q CA 1.336 57.000 55.803 -0.231 0.000 0.910 185 Q CB -0.372 28.063 28.738 -0.504 0.000 0.980 185 Q HN 0.891 nan 8.270 nan 0.000 0.491 186 Y N 1.819 122.136 120.300 0.029 0.000 2.561 186 Y HA -0.029 4.520 4.550 -0.002 0.000 0.291 186 Y C 2.552 178.679 175.900 0.378 0.000 1.141 186 Y CA 1.012 59.180 58.100 0.113 0.000 1.303 186 Y CB 0.225 38.730 38.460 0.076 0.000 1.015 186 Y HN 0.340 nan 8.280 nan 0.000 0.547 187 S N -1.515 114.461 115.700 0.461 0.000 2.522 187 S HA -0.092 4.378 4.470 -0.001 0.000 0.227 187 S C 0.234 174.882 174.600 0.080 0.000 0.986 187 S CA 0.669 59.074 58.200 0.342 0.000 0.929 187 S CB -0.437 62.869 63.200 0.176 0.000 0.769 187 S HN 0.462 nan 8.310 nan 0.000 0.529 188 H N 1.913 121.064 119.070 0.134 0.000 2.535 188 H HA 0.432 4.987 4.556 -0.001 0.000 0.232 188 H C -2.829 172.600 175.328 0.168 0.000 1.405 188 H CA -1.950 54.166 56.048 0.114 0.000 1.224 188 H CB 0.509 30.325 29.762 0.090 0.000 1.763 188 H HN 0.343 nan 8.280 nan 0.000 0.529 189 P HA -0.003 nan 4.420 nan 0.000 0.269 189 P C 0.046 177.177 177.300 -0.283 0.000 1.209 189 P CA 0.085 63.020 63.100 -0.274 0.000 0.776 189 P CB 1.672 33.187 31.700 -0.308 0.000 0.876 190 L N 1.898 122.883 121.223 -0.397 0.000 2.400 190 L HA 0.263 4.602 4.340 -0.001 0.000 0.264 190 L C 1.719 178.356 176.870 -0.388 0.000 1.061 190 L CA -0.503 54.131 54.840 -0.343 0.000 0.799 190 L CB 0.636 42.457 42.059 -0.398 0.000 1.240 190 L HN 0.363 nan 8.230 nan 0.000 0.461 191 D N -0.620 119.670 120.400 -0.184 0.000 2.348 191 D HA -0.016 4.623 4.640 -0.001 0.000 0.211 191 D C 0.080 176.510 176.300 0.216 0.000 0.998 191 D CA 0.234 54.227 54.000 -0.012 0.000 0.873 191 D CB -0.014 40.823 40.800 0.061 0.000 0.925 191 D HN 0.248 nan 8.370 nan 0.000 0.524 192 F N -0.884 119.116 119.950 0.083 0.000 2.594 192 F HA 0.643 5.169 4.527 -0.002 0.000 0.335 192 F C -0.701 175.126 175.800 0.046 0.000 1.058 192 F CA -2.105 55.937 58.000 0.071 0.000 0.981 192 F CB 1.367 40.382 39.000 0.025 0.000 1.289 192 F HN -0.136 nan 8.300 nan 0.000 0.490 193 C N 3.545 122.964 119.300 0.197 0.000 2.654 193 C HA 0.593 5.052 4.460 -0.001 0.000 0.315 193 C C -2.855 172.237 174.990 0.171 0.000 1.054 193 C CA -2.000 57.054 59.018 0.061 0.000 1.419 193 C CB -0.001 27.730 27.740 -0.016 0.000 1.889 193 C HN 0.653 nan 8.230 nan 0.000 0.447 194 P HA 0.292 nan 4.420 nan 0.000 0.271 194 P C -0.621 176.735 177.300 0.093 0.000 1.216 194 P CA -0.016 63.180 63.100 0.161 0.000 0.776 194 P CB 0.425 32.223 31.700 0.162 0.000 0.881 195 I N 3.277 123.894 120.570 0.079 0.000 2.339 195 I HA 0.278 4.447 4.170 -0.001 0.000 0.290 195 I C -0.067 176.005 176.117 -0.076 0.000 0.994 195 I CA -0.657 60.629 61.300 -0.025 0.000 1.191 195 I CB 1.196 39.123 38.000 -0.121 0.000 1.343 195 I HN 0.039 nan 8.210 nan 0.000 0.458 196 V N 5.119 124.987 119.914 -0.076 0.000 2.495 196 V HA 0.291 4.410 4.120 -0.001 0.000 0.298 196 V C -0.077 175.961 176.094 -0.094 0.000 1.031 196 V CA -0.800 61.464 62.300 -0.060 0.000 0.871 196 V CB 2.321 34.141 31.823 -0.006 0.000 0.988 196 V HN 0.627 nan 8.190 nan 0.000 0.432 197 D N 3.098 123.439 120.400 -0.099 0.000 2.336 197 D HA 0.130 4.769 4.640 -0.001 0.000 0.249 197 D C 1.204 177.476 176.300 -0.047 0.000 1.213 197 D CA 0.104 54.047 54.000 -0.094 0.000 0.870 197 D CB 1.813 42.555 40.800 -0.096 0.000 1.076 197 D HN 0.607 nan 8.370 nan 0.000 0.483 198 T N 3.356 117.890 114.554 -0.034 0.000 2.720 198 T HA -0.144 4.205 4.350 -0.001 0.000 0.268 198 T C 1.362 176.055 174.700 -0.012 0.000 1.037 198 T CA 1.045 63.139 62.100 -0.010 0.000 1.144 198 T CB 0.226 69.094 68.868 0.001 0.000 0.864 198 T HN 0.448 nan 8.240 nan 0.000 0.444 199 E N 0.705 120.892 120.200 -0.022 0.000 2.190 199 E HA 0.022 4.371 4.350 -0.001 0.000 0.191 199 E C 2.197 178.784 176.600 -0.021 0.000 0.978 199 E CA 0.565 56.952 56.400 -0.022 0.000 0.839 199 E CB -0.052 29.630 29.700 -0.029 0.000 0.787 199 E HN 0.480 nan 8.360 nan 0.000 0.473 200 E N 0.827 121.013 120.200 -0.024 0.000 2.442 200 E HA 0.003 4.352 4.350 -0.001 0.000 0.195 200 E C -0.107 176.483 176.600 -0.016 0.000 1.030 200 E CA 0.052 56.440 56.400 -0.021 0.000 0.869 200 E CB 0.090 29.775 29.700 -0.025 0.000 0.857 200 E HN 0.192 nan 8.360 nan 0.000 0.505 201 K N 1.206 121.597 120.400 -0.015 0.000 3.244 201 K HA -0.220 4.100 4.320 -0.001 0.000 0.270 201 K C -0.136 176.458 176.600 -0.010 0.000 1.016 201 K CA 0.765 57.047 56.287 -0.008 0.000 0.754 201 K CB -1.678 30.820 32.500 -0.003 0.000 1.326 201 K HN 0.272 nan 8.250 nan 0.000 0.465 202 K N -1.964 118.425 120.400 -0.018 0.000 2.527 202 K HA 0.484 4.803 4.320 -0.001 0.000 0.260 202 K C -0.527 176.058 176.600 -0.025 0.000 0.937 202 K CA -1.164 55.113 56.287 -0.017 0.000 0.826 202 K CB 1.883 34.374 32.500 -0.016 0.000 1.359 202 K HN -0.088 nan 8.250 nan 0.000 0.434 203 V N 4.104 124.009 119.914 -0.014 0.000 2.470 203 V HA 0.084 4.203 4.120 -0.001 0.000 0.276 203 V C 1.234 177.319 176.094 -0.015 0.000 1.040 203 V CA -0.192 62.100 62.300 -0.013 0.000 1.008 203 V CB 0.324 32.149 31.823 0.004 0.000 0.990 203 V HN 0.862 nan 8.190 nan 0.000 0.477 204 I N 1.599 122.150 120.570 -0.033 0.000 3.854 204 I HA 0.524 4.694 4.170 -0.001 0.000 0.312 204 I C 0.151 176.372 176.117 0.173 0.000 1.273 204 I CA 0.587 61.887 61.300 0.001 0.000 1.298 204 I CB 0.418 38.337 38.000 -0.135 0.000 1.071 204 I HN 0.446 nan 8.210 nan 0.000 0.428 205 F N 0.978 120.907 119.950 -0.035 0.000 2.725 205 F HA 0.622 5.148 4.527 -0.002 0.000 0.309 205 F C -1.859 173.983 175.800 0.070 0.000 1.132 205 F CA -1.082 56.962 58.000 0.073 0.000 0.957 205 F CB 1.754 40.890 39.000 0.226 0.000 1.286 205 F HN -0.240 nan 8.300 nan 0.000 0.440 206 I N 3.673 124.040 120.570 -0.339 0.000 2.447 206 I HA 0.284 4.454 4.170 -0.001 0.000 0.287 206 I C -1.235 174.876 176.117 -0.010 0.000 1.023 206 I CA -0.862 60.402 61.300 -0.060 0.000 1.083 206 I CB 1.708 39.657 38.000 -0.084 0.000 1.245 206 I HN 0.347 nan 8.210 nan 0.000 0.434 207 D N 7.589 128.176 120.400 0.312 0.000 2.358 207 D HA 0.379 5.019 4.640 -0.001 0.000 0.258 207 D C -0.249 176.201 176.300 0.250 0.000 1.223 207 D CA 0.482 54.705 54.000 0.372 0.000 0.886 207 D CB 1.384 42.409 40.800 0.376 0.000 1.120 207 D HN 0.311 nan 8.370 nan 0.000 0.482 208 I N 4.704 125.386 120.570 0.188 0.000 2.406 208 I HA 0.226 4.396 4.170 -0.001 0.000 0.290 208 I C -1.940 174.264 176.117 0.144 0.000 0.999 208 I CA -1.907 59.481 61.300 0.148 0.000 1.124 208 I CB 2.175 40.197 38.000 0.035 0.000 1.289 208 I HN 0.100 nan 8.210 nan 0.000 0.441 209 P HA 0.235 nan 4.420 nan 0.000 0.276 209 P C -0.199 177.159 177.300 0.096 0.000 1.244 209 P CA -0.405 62.782 63.100 0.144 0.000 0.801 209 P CB 1.001 32.817 31.700 0.194 0.000 1.006 210 N N 0.626 119.372 118.700 0.076 0.000 2.188 210 N HA -0.108 4.631 4.740 -0.001 0.000 0.184 210 N C 0.882 176.424 175.510 0.052 0.000 1.018 210 N CA 1.036 54.115 53.050 0.049 0.000 0.858 210 N CB 0.031 38.539 38.487 0.034 0.000 0.989 210 N HN 0.454 nan 8.380 nan 0.000 0.426 211 R N 1.678 122.221 120.500 0.072 0.000 2.229 211 R HA 0.159 4.499 4.340 -0.001 0.000 0.332 211 R C -0.537 175.809 176.300 0.077 0.000 0.989 211 R CA -0.605 55.535 56.100 0.066 0.000 0.842 211 R CB 0.630 30.973 30.300 0.071 0.000 1.119 211 R HN -0.110 nan 8.270 nan 0.000 0.456 212 R N 3.203 123.736 120.500 0.055 0.000 2.490 212 R HA 0.243 4.582 4.340 -0.001 0.000 0.280 212 R C -0.416 175.908 176.300 0.039 0.000 1.077 212 R CA -0.431 55.703 56.100 0.055 0.000 1.065 212 R CB 0.795 31.117 30.300 0.035 0.000 1.003 212 R HN 0.522 nan 8.270 nan 0.000 0.470 213 R N 1.373 121.892 120.500 0.032 0.000 2.483 213 R HA 0.291 4.630 4.340 -0.001 0.000 0.303 213 R C -0.377 175.915 176.300 -0.014 0.000 0.987 213 R CA -0.461 55.636 56.100 -0.005 0.000 0.881 213 R CB 1.838 32.112 30.300 -0.044 0.000 1.177 213 R HN 0.368 nan 8.270 nan 0.000 0.451 214 K N 0.898 121.289 120.400 -0.015 0.000 2.180 214 K HA 0.207 4.527 4.320 -0.001 0.000 0.251 214 K C 0.047 176.624 176.600 -0.038 0.000 1.014 214 K CA -0.596 55.680 56.287 -0.018 0.000 0.913 214 K CB 1.122 33.609 32.500 -0.022 0.000 1.008 214 K HN 0.215 nan 8.250 nan 0.000 0.490 215 V N 2.017 121.904 119.914 -0.045 0.000 2.720 215 V HA -0.095 4.024 4.120 -0.001 0.000 0.307 215 V C 0.325 176.408 176.094 -0.018 0.000 1.071 215 V CA 0.495 62.767 62.300 -0.047 0.000 1.199 215 V CB 1.170 32.919 31.823 -0.124 0.000 0.900 215 V HN 0.851 nan 8.190 nan 0.000 0.494 216 S N 4.993 120.685 115.700 -0.012 0.000 2.558 216 S HA 0.077 4.546 4.470 -0.001 0.000 0.293 216 S C 0.887 175.560 174.600 0.122 0.000 1.292 216 S CA 0.239 58.437 58.200 -0.004 0.000 1.063 216 S CB 0.321 63.377 63.200 -0.241 0.000 0.831 216 S HN 0.849 nan 8.310 nan 0.000 0.499 217 K N 2.702 123.123 120.400 0.035 0.000 2.404 217 K HA 0.115 4.434 4.320 -0.001 0.000 0.194 217 K C 0.364 176.977 176.600 0.023 0.000 1.023 217 K CA -0.062 56.234 56.287 0.015 0.000 1.094 217 K CB 0.056 32.504 32.500 -0.085 0.000 0.841 217 K HN 0.674 nan 8.250 nan 0.000 0.523 218 H N 1.693 120.862 119.070 0.165 0.000 2.679 218 H HA 0.105 4.660 4.556 -0.001 0.000 0.369 218 H C 0.281 175.822 175.328 0.355 0.000 1.178 218 H CA 0.243 56.401 56.048 0.184 0.000 1.419 218 H CB 0.679 30.484 29.762 0.072 0.000 1.458 218 H HN -0.092 nan 8.280 nan 0.000 0.605 219 K N 1.282 121.938 120.400 0.427 0.000 2.469 219 K HA -0.029 4.290 4.320 -0.001 0.000 0.274 219 K C -0.126 176.779 176.600 0.509 0.000 0.983 219 K CA 0.133 56.657 56.287 0.395 0.000 0.974 219 K CB 0.208 32.889 32.500 0.302 0.000 0.913 219 K HN 0.472 nan 8.250 nan 0.000 0.493 220 H N -0.044 119.167 119.070 0.235 0.000 2.790 220 H HA 0.088 4.644 4.556 -0.001 0.000 0.358 220 H C -0.126 175.203 175.328 0.001 0.000 1.103 220 H CA 0.298 56.432 56.048 0.143 0.000 1.426 220 H CB 0.724 30.410 29.762 -0.127 0.000 1.424 220 H HN 0.629 nan 8.280 nan 0.000 0.599 221 A N 4.167 126.913 122.820 -0.124 0.000 2.506 221 A HA 0.229 4.549 4.320 -0.001 0.000 0.320 221 A C -0.102 177.329 177.584 -0.256 0.000 1.424 221 A CA -0.663 51.171 52.037 -0.339 0.000 1.044 221 A CB -0.459 18.076 19.000 -0.774 0.000 1.140 221 A HN 0.660 nan 8.150 nan 0.000 0.538 222 N N 0.872 119.435 118.700 -0.228 0.000 2.459 222 N HA 0.677 5.416 4.740 -0.001 0.000 0.288 222 N C -0.088 175.336 175.510 -0.144 0.000 1.186 222 N CA -0.425 52.369 53.050 -0.426 0.000 0.917 222 N CB 1.312 39.208 38.487 -0.984 0.000 1.219 222 N HN 0.604 nan 8.380 nan 0.000 0.525 223 F N -2.496 117.449 119.950 -0.008 0.000 2.974 223 F HA 0.432 4.958 4.527 -0.002 0.000 0.357 223 F C -0.283 175.556 175.800 0.064 0.000 1.114 223 F CA -0.735 57.271 58.000 0.009 0.000 1.099 223 F CB -0.218 38.706 39.000 -0.126 0.000 1.205 223 F HN 0.204 nan 8.300 nan 0.000 0.535 224 Y N 2.842 123.255 120.300 0.189 0.000 2.357 224 Y HA 0.258 4.807 4.550 -0.001 0.000 0.340 224 Y C -1.098 174.837 175.900 0.059 0.000 1.260 224 Y CA -1.351 56.829 58.100 0.134 0.000 1.425 224 Y CB 0.194 38.644 38.460 -0.016 0.000 1.326 224 Y HN -0.224 nan 8.280 nan 0.000 0.580 225 P HA -0.275 nan 4.420 nan 0.000 0.216 225 P C 1.059 178.370 177.300 0.019 0.000 1.154 225 P CA 2.572 65.715 63.100 0.072 0.000 0.865 225 P CB 0.090 31.822 31.700 0.054 0.000 0.789 226 K N -0.910 119.446 120.400 -0.072 0.000 2.103 226 K HA -0.213 4.106 4.320 -0.001 0.000 0.207 226 K C 1.719 178.247 176.600 -0.119 0.000 1.048 226 K CA 1.737 57.934 56.287 -0.150 0.000 0.930 226 K CB -1.215 31.127 32.500 -0.263 0.000 0.716 226 K HN 0.271 nan 8.250 nan 0.000 0.444 227 H N -0.006 119.084 119.070 0.033 0.000 2.363 227 H HA 0.067 4.623 4.556 -0.001 0.000 0.301 227 H C 2.147 177.498 175.328 0.040 0.000 1.074 227 H CA 1.387 57.449 56.048 0.022 0.000 1.354 227 H CB 0.063 29.826 29.762 0.003 0.000 1.397 227 H HN 0.077 nan 8.280 nan 0.000 0.516 228 M N 0.206 119.907 119.600 0.168 0.000 2.175 228 M HA -0.095 4.384 4.480 -0.001 0.000 0.264 228 M C 2.301 178.649 176.300 0.080 0.000 1.063 228 M CA 1.215 56.584 55.300 0.116 0.000 1.119 228 M CB -0.681 31.978 32.600 0.098 0.000 1.377 228 M HN 0.298 nan 8.290 nan 0.000 0.415 229 I N 0.172 120.778 120.570 0.059 0.000 2.163 229 I HA -0.316 3.853 4.170 -0.001 0.000 0.243 229 I C 2.344 178.489 176.117 0.048 0.000 1.085 229 I CA 1.399 62.724 61.300 0.041 0.000 1.347 229 I CB -0.419 37.594 38.000 0.022 0.000 1.044 229 I HN 0.383 nan 8.210 nan 0.000 0.408 230 E N 0.542 120.777 120.200 0.058 0.000 2.077 230 E HA -0.290 4.059 4.350 -0.001 0.000 0.193 230 E C 2.155 178.800 176.600 0.075 0.000 0.989 230 E CA 1.336 57.775 56.400 0.065 0.000 0.800 230 E CB -0.085 29.663 29.700 0.079 0.000 0.746 230 E HN 0.422 nan 8.360 nan 0.000 0.452 231 K N 0.852 121.306 120.400 0.089 0.000 2.076 231 K HA -0.082 4.237 4.320 -0.001 0.000 0.204 231 K C 1.909 178.555 176.600 0.078 0.000 1.051 231 K CA 1.363 57.706 56.287 0.094 0.000 0.949 231 K CB 0.383 32.949 32.500 0.110 0.000 0.726 231 K HN 0.129 nan 8.250 nan 0.000 0.443 232 V N -4.060 115.895 119.914 0.068 0.000 3.477 232 V HA 0.500 4.619 4.120 -0.001 0.000 0.297 232 V C 0.859 176.981 176.094 0.045 0.000 1.433 232 V CA 0.405 62.739 62.300 0.056 0.000 1.052 232 V CB 0.415 32.271 31.823 0.055 0.000 0.895 232 V HN 0.463 nan 8.190 nan 0.000 0.438 233 G N -0.040 108.786 108.800 0.044 0.000 2.313 233 G HA2 0.245 4.205 3.960 -0.001 0.000 0.215 233 G HA3 0.245 4.205 3.960 -0.001 0.000 0.215 233 G C 0.329 175.247 174.900 0.030 0.000 1.023 233 G CA -0.008 45.113 45.100 0.035 0.000 0.626 233 G HN 2.103 nan 8.290 nan 0.000 0.503 234 A N -0.174 122.665 122.820 0.031 0.000 2.590 234 A HA 0.693 5.012 4.320 -0.001 0.000 0.294 234 A C -0.377 177.224 177.584 0.027 0.000 1.046 234 A CA -0.122 51.931 52.037 0.025 0.000 0.684 234 A CB 0.554 19.566 19.000 0.020 0.000 1.279 234 A HN 0.629 nan 8.150 nan 0.000 0.415 235 M N 1.256 120.870 119.600 0.024 0.000 2.228 235 M HA 0.308 4.787 4.480 -0.001 0.000 0.326 235 M C 0.829 177.140 176.300 0.018 0.000 1.122 235 M CA 0.128 55.441 55.300 0.023 0.000 1.161 235 M CB 0.096 32.709 32.600 0.021 0.000 1.437 235 M HN 0.773 nan 8.290 nan 0.000 0.465 236 R N 1.132 121.642 120.500 0.016 0.000 2.679 236 R HA 0.205 4.544 4.340 -0.001 0.000 0.268 236 R C -1.996 174.310 176.300 0.010 0.000 1.044 236 R CA -1.192 54.916 56.100 0.012 0.000 1.105 236 R CB -0.609 29.697 30.300 0.010 0.000 0.989 236 R HN 0.394 nan 8.270 nan 0.000 0.447 237 P HA -0.070 nan 4.420 nan 0.000 0.268 237 P C -0.669 176.635 177.300 0.006 0.000 1.208 237 P CA -0.102 63.002 63.100 0.008 0.000 0.777 237 P CB 0.445 32.149 31.700 0.007 0.000 0.875 238 E N 1.245 121.448 120.200 0.006 0.000 2.480 238 E HA 0.247 4.597 4.350 -0.001 0.000 0.258 238 E C -0.248 176.354 176.600 0.004 0.000 0.984 238 E CA -0.176 56.227 56.400 0.005 0.000 0.930 238 E CB 0.039 29.742 29.700 0.005 0.000 0.936 238 E HN 0.481 nan 8.360 nan 0.000 0.466 239 A N 6.037 128.859 122.820 0.003 0.000 2.445 239 A HA 0.310 4.629 4.320 -0.001 0.000 0.242 239 A C -1.941 175.644 177.584 0.003 0.000 1.075 239 A CA -1.165 50.874 52.037 0.002 0.000 0.777 239 A CB -0.253 18.747 19.000 0.001 0.000 1.013 239 A HN 0.660 nan 8.150 nan 0.000 0.493 240 P HA 0.206 nan 4.420 nan 0.000 0.266 240 P C -2.433 174.869 177.300 0.003 0.000 1.195 240 P CA -0.645 62.457 63.100 0.003 0.000 0.768 240 P CB -0.408 31.294 31.700 0.003 0.000 0.838 241 P HA 0.282 nan 4.420 nan 0.000 0.271 241 P C -0.469 176.834 177.300 0.005 0.000 1.218 241 P CA 0.011 63.114 63.100 0.005 0.000 0.780 241 P CB 0.795 32.499 31.700 0.006 0.000 0.901 242 I N 2.782 123.356 120.570 0.006 0.000 2.354 242 I HA 0.224 4.393 4.170 -0.001 0.000 0.286 242 I C 0.188 176.311 176.117 0.010 0.000 1.007 242 I CA -0.585 60.719 61.300 0.007 0.000 1.167 242 I CB 0.692 38.695 38.000 0.005 0.000 1.320 242 I HN 0.152 nan 8.210 nan 0.000 0.458 243 N N 5.936 124.643 118.700 0.012 0.000 2.438 243 N HA 0.443 5.182 4.740 -0.001 0.000 0.282 243 N C -0.784 174.738 175.510 0.019 0.000 1.037 243 N CA -0.380 52.679 53.050 0.015 0.000 0.942 243 N CB 2.691 41.186 38.487 0.013 0.000 1.136 243 N HN 0.175 nan 8.380 nan 0.000 0.481 244 V N 1.656 121.584 119.914 0.024 0.000 2.409 244 V HA 0.522 4.641 4.120 -0.001 0.000 0.291 244 V C 0.058 176.172 176.094 0.033 0.000 1.020 244 V CA -0.609 61.710 62.300 0.032 0.000 0.848 244 V CB 1.348 33.195 31.823 0.041 0.000 0.990 244 V HN 0.830 nan 8.190 nan 0.000 0.430 245 T N 1.859 116.433 114.554 0.033 0.000 2.900 245 T HA 0.648 4.997 4.350 -0.001 0.000 0.295 245 T C -0.755 173.966 174.700 0.035 0.000 1.044 245 T CA -0.828 61.291 62.100 0.031 0.000 0.995 245 T CB 2.291 71.173 68.868 0.023 0.000 1.072 245 T HN 0.510 nan 8.240 nan 0.000 0.473 246 Q N 1.705 121.525 119.800 0.033 0.000 2.907 246 Q HA 0.249 4.589 4.340 -0.001 0.000 0.262 246 Q C -1.828 174.182 176.000 0.017 0.000 0.997 246 Q CA -1.965 53.856 55.803 0.030 0.000 0.797 246 Q CB 1.594 30.355 28.738 0.037 0.000 1.228 246 Q HN 0.577 nan 8.270 nan 0.000 0.466 247 P HA -0.162 nan 4.420 nan 0.000 0.222 247 P C 0.137 177.439 177.300 0.004 0.000 1.147 247 P CA 1.153 64.259 63.100 0.009 0.000 0.790 247 P CB 0.463 32.169 31.700 0.011 0.000 0.780 248 E N -0.331 119.871 120.200 0.003 0.000 2.451 248 E HA 0.355 4.704 4.350 -0.001 0.000 0.194 248 E C 0.901 177.491 176.600 -0.016 0.000 1.027 248 E CA -0.030 56.368 56.400 -0.004 0.000 0.914 248 E CB 0.134 29.834 29.700 -0.000 0.000 1.054 248 E HN 0.196 nan 8.360 nan 0.000 0.461 249 G N 0.939 109.727 108.800 -0.020 0.000 2.681 249 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.220 249 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.220 249 G C -0.049 174.813 174.900 -0.064 0.000 1.353 249 G CA -0.445 44.626 45.100 -0.049 0.000 0.872 249 G HN 0.412 nan 8.290 nan 0.000 0.557 250 V N -2.628 117.195 119.914 -0.153 0.000 2.966 250 V HA 0.862 4.981 4.120 -0.001 0.000 0.317 250 V C 1.491 177.489 176.094 -0.159 0.000 1.070 250 V CA 0.864 63.043 62.300 -0.200 0.000 1.008 250 V CB 1.477 32.950 31.823 -0.584 0.000 1.070 250 V HN 2.310 nan 8.190 nan 0.000 0.457 251 S N 1.472 117.178 115.700 0.009 0.000 2.528 251 S HA 0.180 4.650 4.470 -0.001 0.000 0.219 251 S C 0.555 175.265 174.600 0.182 0.000 0.985 251 S CA 0.011 58.271 58.200 0.099 0.000 0.914 251 S CB -0.732 62.577 63.200 0.181 0.000 0.776 251 S HN 1.014 nan 8.310 nan 0.000 0.526 252 F N 1.263 121.358 119.950 0.242 0.000 2.370 252 F HA 0.731 5.257 4.527 -0.001 0.000 0.324 252 F C -0.079 175.753 175.800 0.054 0.000 1.116 252 F CA -1.154 56.967 58.000 0.202 0.000 1.123 252 F CB 0.718 39.807 39.000 0.149 0.000 1.238 252 F HN -0.095 nan 8.300 nan 0.000 0.536 253 K N 3.974 124.514 120.400 0.234 0.000 2.507 253 K HA 0.443 4.762 4.320 -0.001 0.000 0.252 253 K C -1.572 175.070 176.600 0.069 0.000 0.943 253 K CA -0.727 55.609 56.287 0.083 0.000 0.808 253 K CB 1.320 33.837 32.500 0.028 0.000 1.142 253 K HN 0.873 nan 8.250 nan 0.000 0.426 254 M N 2.990 122.608 119.600 0.030 0.000 2.268 254 M HA 0.257 4.736 4.480 -0.001 0.000 0.344 254 M C -0.689 175.591 176.300 -0.032 0.000 1.106 254 M CA -0.649 54.607 55.300 -0.074 0.000 1.010 254 M CB 1.968 34.432 32.600 -0.226 0.000 1.649 254 M HN 0.459 nan 8.290 nan 0.000 0.443 255 T N 2.633 117.164 114.554 -0.037 0.000 2.893 255 T HA 0.516 4.865 4.350 -0.001 0.000 0.324 255 T C 0.805 175.515 174.700 0.016 0.000 1.082 255 T CA 0.232 62.339 62.100 0.011 0.000 0.983 255 T CB 1.066 69.951 68.868 0.029 0.000 1.005 255 T HN 1.058 nan 8.240 nan 0.000 0.475 256 G N 4.870 113.689 108.800 0.032 0.000 2.629 256 G HA2 -0.370 3.589 3.960 -0.001 0.000 0.313 256 G HA3 -0.370 3.589 3.960 -0.001 0.000 0.313 256 G C 0.808 175.681 174.900 -0.045 0.000 1.217 256 G CA 0.604 45.724 45.100 0.034 0.000 0.994 256 G HN 0.618 nan 8.290 nan 0.000 0.549 257 N N 0.131 118.770 118.700 -0.103 0.000 2.336 257 N HA 0.362 5.102 4.740 -0.001 0.000 0.189 257 N C 0.167 175.430 175.510 -0.412 0.000 1.113 257 N CA 0.509 53.377 53.050 -0.304 0.000 0.858 257 N CB 0.744 38.939 38.487 -0.487 0.000 0.970 257 N HN 0.428 nan 8.380 nan 0.000 0.471 258 V N 1.822 121.596 119.914 -0.234 0.000 2.432 258 V HA 0.286 4.405 4.120 -0.001 0.000 0.275 258 V C 0.027 175.937 176.094 -0.306 0.000 1.043 258 V CA -0.630 61.538 62.300 -0.220 0.000 0.925 258 V CB 1.118 32.927 31.823 -0.023 0.000 0.985 258 V HN 0.166 nan 8.190 nan 0.000 0.466 259 M N 5.242 124.511 119.600 -0.552 0.000 2.300 259 M HA 0.518 4.997 4.480 -0.001 0.000 0.348 259 M C -0.576 175.440 176.300 -0.473 0.000 1.151 259 M CA 0.138 55.051 55.300 -0.645 0.000 1.046 259 M CB 1.318 33.157 32.600 -1.268 0.000 1.647 259 M HN 0.655 nan 8.290 nan 0.000 0.451 260 E N 3.868 123.959 120.200 -0.182 0.000 2.218 260 E HA 0.483 4.833 4.350 -0.001 0.000 0.263 260 E C -2.180 174.518 176.600 0.163 0.000 0.879 260 E CA -0.280 56.104 56.400 -0.026 0.000 0.762 260 E CB 1.694 31.387 29.700 -0.012 0.000 1.166 260 E HN 0.767 nan 8.360 nan 0.000 0.415 261 W N 2.685 123.989 121.300 0.006 0.000 3.615 261 W HA 0.194 4.853 4.660 -0.001 0.000 0.319 261 W C -0.268 176.347 176.519 0.160 0.000 1.172 261 W CA -0.443 56.962 57.345 0.099 0.000 1.240 261 W CB 1.415 30.938 29.460 0.106 0.000 1.313 261 W HN 0.465 nan 8.180 nan 0.000 0.487 262 S N 5.028 120.327 115.700 -0.669 0.000 3.549 262 S HA -0.325 4.144 4.470 -0.001 0.000 0.366 262 S C 0.849 175.161 174.600 -0.480 0.000 1.012 262 S CA 1.957 59.697 58.200 -0.766 0.000 1.141 262 S CB -1.431 60.863 63.200 -1.510 0.000 0.910 262 S HN 1.065 nan 8.310 nan 0.000 0.471 263 N N -2.523 115.921 118.700 -0.427 0.000 2.967 263 N HA -0.176 4.563 4.740 -0.001 0.000 0.218 263 N C -0.089 175.070 175.510 -0.585 0.000 0.870 263 N CA 1.732 54.389 53.050 -0.655 0.000 1.030 263 N CB -1.602 36.150 38.487 -1.226 0.000 1.027 263 N HN 0.573 nan 8.380 nan 0.000 0.603 264 F N 1.684 121.553 119.950 -0.135 0.000 2.459 264 F HA 0.349 4.875 4.527 -0.001 0.000 0.346 264 F C 1.050 176.906 175.800 0.093 0.000 1.128 264 F CA 0.442 58.528 58.000 0.144 0.000 1.268 264 F CB 0.698 39.945 39.000 0.412 0.000 1.161 264 F HN -0.146 nan 8.300 nan 0.000 0.583 265 K N 4.002 124.629 120.400 0.378 0.000 2.468 265 K HA 0.635 4.954 4.320 -0.001 0.000 0.252 265 K C -1.732 175.055 176.600 0.312 0.000 0.932 265 K CA -0.535 55.855 56.287 0.171 0.000 0.794 265 K CB 1.604 34.164 32.500 0.100 0.000 1.241 265 K HN 0.517 nan 8.250 nan 0.000 0.428 266 F N -0.452 119.513 119.950 0.024 0.000 2.741 266 F HA 0.372 4.899 4.527 -0.001 0.000 0.311 266 F C -1.517 174.274 175.800 -0.014 0.000 1.149 266 F CA -1.177 56.835 58.000 0.020 0.000 0.930 266 F CB 0.939 39.919 39.000 -0.033 0.000 1.312 266 F HN 0.432 nan 8.300 nan 0.000 0.450 267 H N 2.552 121.682 119.070 0.100 0.000 2.488 267 H HA 0.555 5.110 4.556 -0.001 0.000 0.322 267 H C -1.159 174.168 175.328 -0.002 0.000 1.078 267 H CA -0.570 55.422 56.048 -0.094 0.000 1.260 267 H CB 1.467 31.090 29.762 -0.231 0.000 1.425 267 H HN 0.734 nan 8.280 nan 0.000 0.471 268 I N 5.376 125.651 120.570 -0.492 0.000 2.297 268 I HA 0.239 4.408 4.170 -0.001 0.000 0.291 268 I C 0.964 176.879 176.117 -0.337 0.000 1.033 268 I CA -0.262 60.889 61.300 -0.248 0.000 1.253 268 I CB 1.147 39.045 38.000 -0.170 0.000 1.396 268 I HN 0.546 nan 8.210 nan 0.000 0.476 269 G N 5.286 114.071 108.800 -0.026 0.000 2.667 269 G HA2 0.743 4.703 3.960 -0.001 0.000 0.310 269 G HA3 0.743 4.703 3.960 -0.001 0.000 0.310 269 G C -1.636 173.383 174.900 0.199 0.000 1.259 269 G CA -0.377 44.804 45.100 0.135 0.000 1.019 269 G HN 0.373 nan 8.290 nan 0.000 0.496 270 F N 0.572 120.544 119.950 0.037 0.000 2.635 270 F HA 0.477 5.003 4.527 -0.001 0.000 0.314 270 F C -0.977 174.889 175.800 0.110 0.000 1.119 270 F CA -0.874 57.157 58.000 0.051 0.000 1.000 270 F CB 2.139 41.167 39.000 0.048 0.000 1.278 270 F HN 0.819 nan 8.300 nan 0.000 0.446 271 N N 1.914 120.422 118.700 -0.321 0.000 2.774 271 N HA 0.244 4.983 4.740 -0.001 0.000 0.264 271 N C 0.112 175.484 175.510 -0.230 0.000 1.415 271 N CA -0.504 52.531 53.050 -0.025 0.000 0.815 271 N CB 0.306 38.834 38.487 0.068 0.000 1.514 271 N HN 0.503 nan 8.380 nan 0.000 0.523 272 Y N -1.455 118.692 120.300 -0.254 0.000 2.384 272 Y HA 0.081 4.630 4.550 -0.001 0.000 0.289 272 Y C 2.025 177.456 175.900 -0.782 0.000 1.152 272 Y CA 1.323 58.916 58.100 -0.845 0.000 1.258 272 Y CB -0.291 37.370 38.460 -1.332 0.000 0.979 272 Y HN 0.659 nan 8.280 nan 0.000 0.549 273 R N 0.152 119.875 120.500 -1.296 0.000 2.125 273 R HA 0.132 4.471 4.340 -0.001 0.000 0.195 273 R C 1.907 177.767 176.300 -0.734 0.000 1.138 273 R CA 0.774 56.124 56.100 -1.249 0.000 1.123 273 R CB 0.036 29.306 30.300 -1.716 0.000 1.049 273 R HN 0.319 nan 8.270 nan 0.000 0.503 274 E N -0.025 119.842 120.200 -0.555 0.000 2.358 274 E HA 0.122 4.471 4.350 -0.001 0.000 0.195 274 E C 0.811 177.182 176.600 -0.381 0.000 1.010 274 E CA 0.462 56.658 56.400 -0.340 0.000 0.856 274 E CB 0.418 30.009 29.700 -0.181 0.000 0.795 274 E HN 0.564 nan 8.360 nan 0.000 0.504 275 G N 1.795 110.208 108.800 -0.644 0.000 2.536 275 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.280 275 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.280 275 G C 0.139 174.567 174.900 -0.786 0.000 1.152 275 G CA -0.086 44.438 45.100 -0.961 0.000 0.970 275 G HN 0.201 nan 8.290 nan 0.000 0.549 276 I N 1.110 121.586 120.570 -0.156 0.000 2.683 276 I HA 0.344 4.513 4.170 -0.001 0.000 0.286 276 I C 0.355 176.353 176.117 -0.198 0.000 1.175 276 I CA 0.053 61.372 61.300 0.032 0.000 1.429 276 I CB 0.887 38.974 38.000 0.145 0.000 1.371 276 I HN 0.328 nan 8.210 nan 0.000 0.569 277 V N 7.837 127.637 119.914 -0.190 0.000 2.483 277 V HA 0.380 4.499 4.120 -0.001 0.000 0.297 277 V C -0.130 175.813 176.094 -0.251 0.000 1.027 277 V CA -0.582 61.564 62.300 -0.258 0.000 0.855 277 V CB 1.686 33.415 31.823 -0.157 0.000 0.995 277 V HN 0.437 nan 8.190 nan 0.000 0.424 278 L N 4.133 125.119 121.223 -0.395 0.000 2.282 278 L HA 0.691 5.030 4.340 -0.001 0.000 0.288 278 L C 0.149 176.918 176.870 -0.170 0.000 1.033 278 L CA 0.078 54.765 54.840 -0.255 0.000 0.807 278 L CB 1.645 43.459 42.059 -0.407 0.000 1.209 278 L HN 0.605 nan 8.230 nan 0.000 0.423 279 S N 0.721 116.402 115.700 -0.032 0.000 2.599 279 S HA 0.328 4.797 4.470 -0.001 0.000 0.294 279 S C -0.479 174.143 174.600 0.036 0.000 1.094 279 S CA -0.537 57.590 58.200 -0.123 0.000 0.931 279 S CB 1.780 64.820 63.200 -0.266 0.000 1.093 279 S HN 0.762 nan 8.310 nan 0.000 0.488 280 D N 0.971 121.365 120.400 -0.009 0.000 2.697 280 D HA -0.145 4.494 4.640 -0.001 0.000 0.238 280 D C -0.722 175.731 176.300 0.256 0.000 1.152 280 D CA 0.366 54.486 54.000 0.200 0.000 0.666 280 D CB -1.215 39.781 40.800 0.326 0.000 1.037 280 D HN 0.233 nan 8.370 nan 0.000 0.423 281 V N 1.292 121.346 119.914 0.233 0.000 2.432 281 V HA 0.537 4.656 4.120 -0.001 0.000 0.271 281 V C 0.926 177.163 176.094 0.238 0.000 1.046 281 V CA 0.324 62.796 62.300 0.287 0.000 0.945 281 V CB 1.340 33.309 31.823 0.245 0.000 0.992 281 V HN 0.481 nan 8.190 nan 0.000 0.471 282 S N 4.650 120.535 115.700 0.307 0.000 2.667 282 S HA 0.776 5.245 4.470 -0.001 0.000 0.292 282 S C -1.291 173.499 174.600 0.317 0.000 1.126 282 S CA -0.793 57.558 58.200 0.252 0.000 0.881 282 S CB 2.048 65.362 63.200 0.191 0.000 1.132 282 S HN 0.571 nan 8.310 nan 0.000 0.492 283 Y N 1.568 121.943 120.300 0.126 0.000 2.361 283 Y HA 0.507 5.056 4.550 -0.001 0.000 0.337 283 Y C -0.541 175.399 175.900 0.067 0.000 0.965 283 Y CA -0.732 57.386 58.100 0.030 0.000 1.091 283 Y CB 1.567 40.041 38.460 0.023 0.000 1.182 283 Y HN 0.848 nan 8.280 nan 0.000 0.450 284 N N 4.836 123.307 118.700 -0.382 0.000 2.439 284 N HA 0.026 4.765 4.740 -0.001 0.000 0.243 284 N C -1.249 174.174 175.510 -0.144 0.000 1.088 284 N CA 0.069 53.001 53.050 -0.197 0.000 0.940 284 N CB 0.333 38.681 38.487 -0.233 0.000 1.180 284 N HN 0.671 nan 8.380 nan 0.000 0.505 285 D N 3.077 123.583 120.400 0.177 0.000 2.522 285 D HA 0.075 4.714 4.640 -0.001 0.000 0.218 285 D C -0.208 176.171 176.300 0.131 0.000 1.149 285 D CA 0.030 54.195 54.000 0.275 0.000 0.981 285 D CB -0.497 40.551 40.800 0.412 0.000 1.041 285 D HN 0.468 nan 8.370 nan 0.000 0.518 286 H N 2.154 121.272 119.070 0.080 0.000 2.626 286 H HA -0.210 4.345 4.556 -0.001 0.000 0.317 286 H C 1.322 176.658 175.328 0.014 0.000 1.140 286 H CA 1.212 57.277 56.048 0.028 0.000 1.134 286 H CB -1.275 28.505 29.762 0.031 0.000 1.486 286 H HN 0.726 nan 8.280 nan 0.000 0.417 287 G N -0.285 108.548 108.800 0.056 0.000 2.232 287 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.226 287 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.226 287 G C 0.220 175.140 174.900 0.032 0.000 0.996 287 G CA 0.140 45.260 45.100 0.034 0.000 0.626 287 G HN 0.599 nan 8.290 nan 0.000 0.509 288 N N 1.185 119.919 118.700 0.055 0.000 2.469 288 N HA 0.449 5.188 4.740 -0.001 0.000 0.239 288 N C 0.138 175.687 175.510 0.064 0.000 1.053 288 N CA -0.116 52.963 53.050 0.048 0.000 0.937 288 N CB 1.044 39.559 38.487 0.047 0.000 1.163 288 N HN 0.196 nan 8.380 nan 0.000 0.509 289 V N 5.345 125.286 119.914 0.046 0.000 2.405 289 V HA 0.235 4.354 4.120 -0.001 0.000 0.264 289 V C 0.648 176.797 176.094 0.090 0.000 1.048 289 V CA -0.189 62.148 62.300 0.062 0.000 0.966 289 V CB -0.251 31.593 31.823 0.036 0.000 1.015 289 V HN 0.477 nan 8.190 nan 0.000 0.477 290 R N 6.075 126.669 120.500 0.158 0.000 2.295 290 R HA 0.432 4.771 4.340 -0.001 0.000 0.324 290 R C -2.719 173.709 176.300 0.215 0.000 0.968 290 R CA -1.848 54.357 56.100 0.175 0.000 0.837 290 R CB 1.700 32.127 30.300 0.211 0.000 1.133 290 R HN 0.408 nan 8.270 nan 0.000 0.450 291 P HA 0.105 nan 4.420 nan 0.000 0.271 291 P C -0.069 177.274 177.300 0.072 0.000 1.218 291 P CA 0.097 63.269 63.100 0.121 0.000 0.780 291 P CB 0.885 32.644 31.700 0.098 0.000 0.901 292 I N -0.125 120.391 120.570 -0.091 0.000 3.650 292 I HA 0.203 4.372 4.170 -0.001 0.000 0.261 292 I C -0.017 175.787 176.117 -0.522 0.000 1.154 292 I CA 0.514 61.507 61.300 -0.511 0.000 1.418 292 I CB 0.209 37.633 38.000 -0.961 0.000 1.539 292 I HN 0.114 nan 8.210 nan 0.000 0.449 293 F N -0.355 119.548 119.950 -0.077 0.000 2.551 293 F HA 0.326 4.853 4.527 -0.001 0.000 0.316 293 F C 0.812 176.620 175.800 0.014 0.000 1.089 293 F CA -1.200 56.758 58.000 -0.070 0.000 0.915 293 F CB 1.002 39.916 39.000 -0.143 0.000 1.186 293 F HN -0.074 nan 8.300 nan 0.000 0.456 294 H N 1.518 120.670 119.070 0.137 0.000 2.403 294 H HA 0.250 4.805 4.556 -0.001 0.000 0.298 294 H C 0.268 175.591 175.328 -0.008 0.000 1.059 294 H CA 1.495 57.573 56.048 0.049 0.000 1.363 294 H CB 0.455 30.206 29.762 -0.019 0.000 1.410 294 H HN 0.542 nan 8.280 nan 0.000 0.528 295 R N -0.051 120.369 120.500 -0.132 0.000 2.579 295 R HA 0.390 4.729 4.340 -0.001 0.000 0.260 295 R C -2.140 173.997 176.300 -0.272 0.000 1.103 295 R CA -0.632 55.311 56.100 -0.261 0.000 0.942 295 R CB 1.244 31.375 30.300 -0.283 0.000 1.251 295 R HN 0.262 nan 8.270 nan 0.000 0.450 296 I N 2.665 123.029 120.570 -0.344 0.000 2.656 296 I HA 0.621 4.790 4.170 -0.001 0.000 0.292 296 I C -1.525 174.311 176.117 -0.467 0.000 1.144 296 I CA -0.082 60.965 61.300 -0.421 0.000 1.038 296 I CB 2.121 39.808 38.000 -0.521 0.000 1.244 296 I HN 0.902 nan 8.210 nan 0.000 0.420 297 S N 6.145 121.682 115.700 -0.271 0.000 2.643 297 S HA 0.537 5.006 4.470 -0.001 0.000 0.266 297 S C -1.605 173.086 174.600 0.151 0.000 1.130 297 S CA -1.067 57.044 58.200 -0.148 0.000 0.817 297 S CB 1.001 64.096 63.200 -0.174 0.000 1.107 297 S HN 0.601 nan 8.310 nan 0.000 0.471 298 L N 2.564 123.944 121.223 0.261 0.000 2.292 298 L HA 0.520 4.859 4.340 -0.001 0.000 0.284 298 L C 1.261 178.172 176.870 0.068 0.000 1.065 298 L CA -0.113 54.845 54.840 0.197 0.000 0.806 298 L CB 1.706 43.910 42.059 0.241 0.000 1.175 298 L HN 1.039 nan 8.230 nan 0.000 0.431 299 S N 0.395 116.118 115.700 0.038 0.000 2.520 299 S HA 0.241 4.710 4.470 -0.001 0.000 0.219 299 S C 0.267 174.859 174.600 -0.012 0.000 1.028 299 S CA -0.243 58.005 58.200 0.081 0.000 0.921 299 S CB 0.581 63.885 63.200 0.174 0.000 0.844 299 S HN 0.635 nan 8.310 nan 0.000 0.495 300 E N -0.480 119.597 120.200 -0.206 0.000 2.409 300 E HA 0.668 5.017 4.350 -0.001 0.000 0.280 300 E C -1.776 174.641 176.600 -0.306 0.000 1.079 300 E CA -0.415 55.808 56.400 -0.296 0.000 0.840 300 E CB 1.361 30.774 29.700 -0.478 0.000 1.309 300 E HN 0.326 nan 8.360 nan 0.000 0.447 301 M N 1.522 121.061 119.600 -0.101 0.000 2.631 301 M HA 0.650 5.130 4.480 -0.001 0.000 0.288 301 M C -1.154 175.292 176.300 0.243 0.000 1.260 301 M CA -0.955 54.322 55.300 -0.037 0.000 0.842 301 M CB 2.513 34.958 32.600 -0.257 0.000 1.743 301 M HN 0.590 nan 8.290 nan 0.000 0.461 302 I N 0.577 121.251 120.570 0.172 0.000 2.752 302 I HA 0.513 4.682 4.170 -0.001 0.000 0.295 302 I C -1.624 174.481 176.117 -0.020 0.000 1.219 302 I CA -0.671 60.688 61.300 0.099 0.000 1.030 302 I CB 2.109 40.148 38.000 0.065 0.000 1.259 302 I HN 0.421 nan 8.210 nan 0.000 0.423 303 V N 8.158 128.093 119.914 0.035 0.000 2.320 303 V HA 0.344 4.463 4.120 -0.001 0.000 0.257 303 V C -2.358 173.784 176.094 0.081 0.000 0.996 303 V CA -1.197 61.089 62.300 -0.024 0.000 0.928 303 V CB 0.635 32.460 31.823 0.003 0.000 1.169 303 V HN 0.524 nan 8.190 nan 0.000 0.475 304 P HA 0.262 nan 4.420 nan 0.000 0.282 304 P C -0.782 176.533 177.300 0.025 0.000 1.262 304 P CA -0.104 63.057 63.100 0.102 0.000 0.773 304 P CB 0.755 32.441 31.700 -0.022 0.000 0.879 305 Y N 1.084 121.436 120.300 0.087 0.000 2.300 305 Y HA 0.414 4.963 4.550 -0.002 0.000 0.328 305 Y C 2.002 177.891 175.900 -0.019 0.000 1.270 305 Y CA 0.266 58.406 58.100 0.067 0.000 1.352 305 Y CB 0.853 39.353 38.460 0.066 0.000 1.286 305 Y HN 0.473 nan 8.280 nan 0.000 0.536 306 G N 0.210 109.061 108.800 0.085 0.000 3.575 306 G HA2 0.029 3.988 3.960 -0.001 0.000 0.273 306 G HA3 0.029 3.988 3.960 -0.001 0.000 0.273 306 G C -0.259 174.564 174.900 -0.128 0.000 1.053 306 G CA -0.168 44.930 45.100 -0.003 0.000 0.803 306 G HN 0.432 nan 8.290 nan 0.000 0.528 307 S N 1.418 116.979 115.700 -0.233 0.000 2.475 307 S HA 0.463 4.932 4.470 -0.001 0.000 0.281 307 S C -0.937 173.371 174.600 -0.486 0.000 1.198 307 S CA -1.390 56.508 58.200 -0.503 0.000 1.063 307 S CB 1.811 64.561 63.200 -0.749 0.000 0.972 307 S HN 0.080 nan 8.310 nan 0.000 0.486 308 P HA 0.088 nan 4.420 nan 0.000 0.245 308 P C -0.287 176.869 177.300 -0.240 0.000 1.206 308 P CA 0.208 63.040 63.100 -0.446 0.000 0.781 308 P CB 0.110 31.476 31.700 -0.556 0.000 0.994 309 E N 0.054 120.144 120.200 -0.183 0.000 2.354 309 E HA 0.154 4.503 4.350 -0.001 0.000 0.269 309 E C -0.415 176.100 176.600 -0.142 0.000 1.036 309 E CA -0.765 55.603 56.400 -0.054 0.000 0.876 309 E CB 0.430 30.168 29.700 0.063 0.000 1.009 309 E HN 0.042 nan 8.360 nan 0.000 0.416 310 F N 4.684 124.494 119.950 -0.234 0.000 2.529 310 F HA 0.106 4.632 4.527 -0.002 0.000 0.365 310 F C -1.420 174.076 175.800 -0.507 0.000 1.102 310 F CA -1.641 56.188 58.000 -0.284 0.000 1.271 310 F CB 0.862 39.765 39.000 -0.161 0.000 1.120 310 F HN 0.316 nan 8.300 nan 0.000 0.579 311 P HA 0.098 nan 4.420 nan 0.000 0.248 311 P C 0.104 176.932 177.300 -0.787 0.000 1.708 311 P CA 0.208 62.491 63.100 -1.361 0.000 1.062 311 P CB -0.125 30.915 31.700 -1.099 0.000 1.562 312 H N 0.686 119.488 119.070 -0.447 0.000 2.546 312 H HA -0.053 4.502 4.556 -0.002 0.000 0.277 312 H C 2.078 177.258 175.328 -0.247 0.000 1.004 312 H CA 0.820 56.648 56.048 -0.367 0.000 1.231 312 H CB -0.158 29.372 29.762 -0.385 0.000 1.382 312 H HN 0.399 nan 8.280 nan 0.000 0.580 313 Q N 1.756 121.464 119.800 -0.154 0.000 2.291 313 Q HA -0.142 4.198 4.340 -0.001 0.000 0.206 313 Q C 1.322 177.385 176.000 0.104 0.000 0.976 313 Q CA 0.966 56.741 55.803 -0.047 0.000 0.875 313 Q CB -0.312 28.379 28.738 -0.078 0.000 0.927 313 Q HN 0.401 nan 8.270 nan 0.000 0.450 314 R N 0.815 121.299 120.500 -0.026 0.000 2.319 314 R HA 0.166 4.506 4.340 -0.001 0.000 0.204 314 R C 0.139 176.429 176.300 -0.018 0.000 0.954 314 R CA 0.096 56.203 56.100 0.013 0.000 1.066 314 R CB 0.259 30.491 30.300 -0.114 0.000 0.991 314 R HN 0.143 nan 8.270 nan 0.000 0.486 315 K N 2.170 122.597 120.400 0.045 0.000 2.244 315 K HA 0.082 4.401 4.320 -0.001 0.000 0.263 315 K C -0.369 176.495 176.600 0.439 0.000 1.103 315 K CA -0.069 56.275 56.287 0.096 0.000 0.966 315 K CB 0.448 32.751 32.500 -0.328 0.000 1.429 315 K HN 0.308 nan 8.250 nan 0.000 0.434 316 H N 0.268 119.572 119.070 0.391 0.000 3.061 316 H HA 0.187 4.742 4.556 -0.001 0.000 0.210 316 H C -0.854 174.620 175.328 0.243 0.000 1.326 316 H CA -0.705 55.513 56.048 0.283 0.000 1.380 316 H CB -0.559 29.284 29.762 0.135 0.000 2.147 316 H HN 0.374 nan 8.280 nan 0.000 0.562 317 A N 2.131 125.100 122.820 0.247 0.000 2.520 317 A HA 0.314 4.633 4.320 -0.001 0.000 0.245 317 A C 0.230 177.884 177.584 0.117 0.000 1.072 317 A CA -0.281 51.828 52.037 0.120 0.000 0.761 317 A CB 0.095 19.084 19.000 -0.018 0.000 1.004 317 A HN 0.483 nan 8.150 nan 0.000 0.499 318 L N 3.658 124.934 121.223 0.087 0.000 2.352 318 L HA 0.197 4.536 4.340 -0.001 0.000 0.272 318 L C 0.735 177.619 176.870 0.024 0.000 1.109 318 L CA 0.007 54.899 54.840 0.086 0.000 0.952 318 L CB 0.485 42.618 42.059 0.124 0.000 1.314 318 L HN 0.722 nan 8.230 nan 0.000 0.427 319 D N 1.479 121.918 120.400 0.064 0.000 2.149 319 D HA -0.188 4.452 4.640 -0.001 0.000 0.198 319 D C 2.041 178.344 176.300 0.005 0.000 0.990 319 D CA 1.592 55.692 54.000 0.167 0.000 0.839 319 D CB 0.359 41.285 40.800 0.209 0.000 0.948 319 D HN 0.500 nan 8.370 nan 0.000 0.460 320 I N 0.827 121.320 120.570 -0.129 0.000 2.202 320 I HA -0.147 4.022 4.170 -0.001 0.000 0.242 320 I C 2.535 178.465 176.117 -0.312 0.000 1.091 320 I CA 1.364 62.498 61.300 -0.275 0.000 1.368 320 I CB -0.304 37.540 38.000 -0.261 0.000 1.058 320 I HN 0.001 nan 8.210 nan 0.000 0.410 321 G N -0.290 108.364 108.800 -0.243 0.000 2.511 321 G HA2 -0.108 3.851 3.960 -0.001 0.000 0.217 321 G HA3 -0.108 3.851 3.960 -0.001 0.000 0.217 321 G C 1.444 176.209 174.900 -0.224 0.000 1.133 321 G CA 0.219 45.161 45.100 -0.263 0.000 0.792 321 G HN 0.401 nan 8.290 nan 0.000 0.539 322 E N -1.420 118.610 120.200 -0.284 0.000 2.389 322 E HA 0.136 4.485 4.350 -0.001 0.000 0.199 322 E C 0.961 177.100 176.600 -0.769 0.000 0.978 322 E CA 0.326 56.411 56.400 -0.525 0.000 0.912 322 E CB 0.331 29.623 29.700 -0.680 0.000 0.907 322 E HN 0.597 nan 8.360 nan 0.000 0.494 323 Y N -0.509 119.767 120.300 -0.039 0.000 2.731 323 Y HA 0.355 4.904 4.550 -0.002 0.000 0.269 323 Y C 0.777 176.674 175.900 -0.005 0.000 1.156 323 Y CA 0.216 58.318 58.100 0.004 0.000 1.191 323 Y CB 1.098 39.552 38.460 -0.011 0.000 1.382 323 Y HN -0.036 nan 8.280 nan 0.000 0.477 324 G N 0.603 109.370 108.800 -0.055 0.000 3.355 324 G HA2 0.189 4.148 3.960 -0.001 0.000 0.686 324 G HA3 0.189 4.148 3.960 -0.001 0.000 0.686 324 G C 0.467 175.094 174.900 -0.454 0.000 1.097 324 G CA -0.376 44.527 45.100 -0.328 0.000 0.881 324 G HN 0.629 nan 8.290 nan 0.000 0.550 325 A N 1.037 123.415 122.820 -0.737 0.000 2.121 325 A HA 0.373 4.693 4.320 -0.001 0.000 0.218 325 A C 2.484 179.820 177.584 -0.413 0.000 1.154 325 A CA 2.444 53.867 52.037 -1.023 0.000 0.679 325 A CB -0.290 18.135 19.000 -0.958 0.000 0.795 325 A HN 2.125 nan 8.150 nan 0.000 0.458 326 G N -1.646 106.924 108.800 -0.384 0.000 2.471 326 G HA2 -0.018 3.941 3.960 -0.001 0.000 0.211 326 G HA3 -0.018 3.941 3.960 -0.001 0.000 0.211 326 G C 1.362 176.345 174.900 0.137 0.000 1.194 326 G CA 0.689 45.762 45.100 -0.046 0.000 0.816 326 G HN 0.382 nan 8.290 nan 0.000 0.545 327 Y N 0.686 120.790 120.300 -0.326 0.000 2.193 327 Y HA -0.010 4.539 4.550 -0.001 0.000 0.285 327 Y C 2.702 178.629 175.900 0.044 0.000 1.166 327 Y CA 0.614 58.542 58.100 -0.287 0.000 1.181 327 Y CB -0.104 38.223 38.460 -0.222 0.000 0.976 327 Y HN 0.109 nan 8.280 nan 0.000 0.520 328 M N -0.966 118.770 119.600 0.226 0.000 2.494 328 M HA 0.081 4.560 4.480 -0.001 0.000 0.232 328 M C 0.709 177.214 176.300 0.342 0.000 1.137 328 M CA 0.178 55.637 55.300 0.264 0.000 1.012 328 M CB -1.116 31.651 32.600 0.279 0.000 1.567 328 M HN -0.096 nan 8.290 nan 0.000 0.486 329 T N 2.310 117.088 114.554 0.372 0.000 2.919 329 T HA 0.149 4.499 4.350 -0.001 0.000 0.302 329 T C 0.331 175.206 174.700 0.291 0.000 1.031 329 T CA 0.035 62.376 62.100 0.402 0.000 1.127 329 T CB 0.422 69.600 68.868 0.515 0.000 0.952 329 T HN 0.386 nan 8.240 nan 0.000 0.540 330 N N 4.748 123.587 118.700 0.231 0.000 2.514 330 N HA 0.277 5.016 4.740 -0.001 0.000 0.277 330 N C -2.644 172.929 175.510 0.105 0.000 1.126 330 N CA -1.590 51.549 53.050 0.149 0.000 0.978 330 N CB 0.987 39.542 38.487 0.113 0.000 1.106 330 N HN 0.405 nan 8.380 nan 0.000 0.461 331 P HA 0.073 nan 4.420 nan 0.000 0.271 331 P C -0.630 176.669 177.300 -0.002 0.000 1.233 331 P CA 0.135 63.240 63.100 0.008 0.000 0.764 331 P CB 0.456 32.152 31.700 -0.008 0.000 0.825 332 L N 2.297 123.512 121.223 -0.014 0.000 2.313 332 L HA 0.205 4.544 4.340 -0.001 0.000 0.282 332 L C 1.136 177.974 176.870 -0.054 0.000 1.092 332 L CA -0.232 54.623 54.840 0.025 0.000 0.831 332 L CB 0.546 42.695 42.059 0.150 0.000 1.159 332 L HN 0.354 nan 8.230 nan 0.000 0.442 333 S N 3.368 119.061 115.700 -0.012 0.000 2.531 333 S HA 0.382 4.851 4.470 -0.001 0.000 0.279 333 S C -0.203 174.385 174.600 -0.019 0.000 1.305 333 S CA -0.775 57.404 58.200 -0.034 0.000 1.058 333 S CB 0.276 63.474 63.200 -0.003 0.000 0.899 333 S HN 0.289 nan 8.310 nan 0.000 0.493 334 L N 4.825 126.011 121.223 -0.061 0.000 2.281 334 L HA 0.471 4.810 4.340 -0.001 0.000 0.285 334 L C 1.010 177.887 176.870 0.012 0.000 1.074 334 L CA 0.290 55.124 54.840 -0.011 0.000 0.817 334 L CB 0.825 42.845 42.059 -0.065 0.000 1.168 334 L HN 0.772 nan 8.230 nan 0.000 0.434 335 G N 1.911 110.732 108.800 0.035 0.000 4.106 335 G HA2 0.427 4.386 3.960 -0.001 0.000 0.344 335 G HA3 0.427 4.386 3.960 -0.001 0.000 0.344 335 G C 0.293 175.218 174.900 0.041 0.000 1.477 335 G CA -0.254 44.886 45.100 0.065 0.000 1.068 335 G HN 0.824 nan 8.290 nan 0.000 0.488 336 C N -0.446 118.878 119.300 0.039 0.000 2.464 336 C HA 0.151 4.610 4.460 -0.001 0.000 0.348 336 C C 2.114 177.124 174.990 0.033 0.000 1.367 336 C CA 0.219 59.253 59.018 0.027 0.000 2.012 336 C CB 0.303 28.055 27.740 0.020 0.000 2.434 336 C HN 0.575 nan 8.230 nan 0.000 0.536 337 D N 0.444 120.873 120.400 0.049 0.000 2.144 337 D HA -0.044 4.595 4.640 -0.001 0.000 0.200 337 D C 0.260 176.599 176.300 0.065 0.000 0.978 337 D CA 1.162 55.200 54.000 0.063 0.000 0.833 337 D CB 0.102 40.949 40.800 0.079 0.000 0.961 337 D HN 0.444 nan 8.370 nan 0.000 0.470 338 C N 1.421 120.744 119.300 0.038 0.000 2.364 338 C HA 0.434 4.893 4.460 -0.001 0.000 0.324 338 C C 0.118 175.042 174.990 -0.111 0.000 1.234 338 C CA -1.398 57.571 59.018 -0.082 0.000 1.417 338 C CB 1.747 29.381 27.740 -0.176 0.000 2.101 338 C HN 0.027 nan 8.230 nan 0.000 0.466 339 K N 2.205 122.533 120.400 -0.120 0.000 2.156 339 K HA 0.669 4.988 4.320 -0.001 0.000 0.271 339 K C 0.571 177.136 176.600 -0.059 0.000 0.995 339 K CA 0.783 57.038 56.287 -0.052 0.000 0.890 339 K CB 1.012 33.511 32.500 -0.001 0.000 1.073 339 K HN 1.190 nan 8.250 nan 0.000 0.454 340 G N 0.905 109.696 108.800 -0.015 0.000 2.428 340 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.202 340 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.202 340 G C -1.313 173.597 174.900 0.017 0.000 1.247 340 G CA -0.613 44.501 45.100 0.024 0.000 1.020 340 G HN 0.475 nan 8.290 nan 0.000 0.529 341 V N 1.873 121.822 119.914 0.057 0.000 2.408 341 V HA 0.499 4.618 4.120 -0.001 0.000 0.267 341 V C 0.447 176.588 176.094 0.079 0.000 1.047 341 V CA -0.297 62.040 62.300 0.060 0.000 0.937 341 V CB 0.737 32.599 31.823 0.065 0.000 0.999 341 V HN 0.584 nan 8.190 nan 0.000 0.472 342 I N 4.265 124.833 120.570 -0.003 0.000 2.530 342 I HA 0.447 4.616 4.170 -0.001 0.000 0.297 342 I C -0.196 175.862 176.117 -0.098 0.000 1.011 342 I CA -0.577 60.634 61.300 -0.148 0.000 1.107 342 I CB 1.764 39.426 38.000 -0.563 0.000 1.285 342 I HN 0.569 nan 8.210 nan 0.000 0.436 343 H N 5.843 124.836 119.070 -0.128 0.000 2.504 343 H HA 0.419 4.974 4.556 -0.001 0.000 0.322 343 H C -1.622 173.578 175.328 -0.212 0.000 1.055 343 H CA -0.220 55.800 56.048 -0.047 0.000 1.231 343 H CB 1.010 30.858 29.762 0.143 0.000 1.417 343 H HN 0.376 nan 8.280 nan 0.000 0.472 344 Y N 3.875 124.161 120.300 -0.024 0.000 2.457 344 Y HA 0.357 4.906 4.550 -0.001 0.000 0.333 344 Y C 0.063 175.963 175.900 -0.000 0.000 1.119 344 Y CA -0.693 57.404 58.100 -0.004 0.000 1.143 344 Y CB 1.609 40.031 38.460 -0.064 0.000 1.230 344 Y HN 0.396 nan 8.280 nan 0.000 0.469 345 L N 2.620 123.928 121.223 0.141 0.000 2.346 345 L HA 0.487 4.826 4.340 -0.001 0.000 0.274 345 L C -0.954 175.838 176.870 -0.130 0.000 1.007 345 L CA -1.082 53.760 54.840 0.004 0.000 0.818 345 L CB 1.679 43.705 42.059 -0.054 0.000 1.284 345 L HN 0.543 nan 8.230 nan 0.000 0.424 346 D N 1.229 121.511 120.400 -0.196 0.000 2.253 346 D HA 0.600 5.239 4.640 -0.001 0.000 0.249 346 D C -0.325 175.596 176.300 -0.632 0.000 1.049 346 D CA -0.156 53.626 54.000 -0.363 0.000 0.929 346 D CB 2.111 42.727 40.800 -0.307 0.000 1.176 346 D HN 0.564 nan 8.370 nan 0.000 0.437 347 A N 1.343 123.719 122.820 -0.741 0.000 2.337 347 A HA 0.618 4.937 4.320 -0.001 0.000 0.329 347 A C -1.071 175.871 177.584 -1.070 0.000 1.146 347 A CA -0.570 50.980 52.037 -0.812 0.000 0.800 347 A CB 0.529 19.164 19.000 -0.609 0.000 1.220 347 A HN 0.669 nan 8.150 nan 0.000 0.472 348 H N 0.439 119.173 119.070 -0.560 0.000 2.609 348 H HA 0.648 5.204 4.556 -0.001 0.000 0.344 348 H C -1.262 173.827 175.328 -0.398 0.000 1.040 348 H CA -0.217 55.571 56.048 -0.434 0.000 1.216 348 H CB 1.401 31.074 29.762 -0.147 0.000 1.529 348 H HN 0.552 nan 8.280 nan 0.000 0.519 349 F N -0.376 119.744 119.950 0.283 0.000 2.764 349 F HA 0.563 5.089 4.527 -0.001 0.000 0.347 349 F C 0.474 176.382 175.800 0.181 0.000 1.151 349 F CA -1.221 56.945 58.000 0.276 0.000 1.021 349 F CB 1.260 40.525 39.000 0.440 0.000 1.438 349 F HN 0.369 nan 8.300 nan 0.000 0.516 350 S N -0.102 115.828 115.700 0.383 0.000 2.509 350 S HA 0.519 4.988 4.470 -0.001 0.000 0.297 350 S C -1.021 173.679 174.600 0.166 0.000 1.118 350 S CA -0.764 57.541 58.200 0.176 0.000 1.074 350 S CB 0.496 63.738 63.200 0.070 0.000 1.038 350 S HN 0.606 nan 8.310 nan 0.000 0.498 351 D N 2.367 122.825 120.400 0.096 0.000 2.478 351 D HA 0.253 4.892 4.640 -0.001 0.000 0.269 351 D C 1.139 177.495 176.300 0.092 0.000 1.232 351 D CA -0.614 53.428 54.000 0.069 0.000 1.059 351 D CB 0.243 41.077 40.800 0.057 0.000 1.104 351 D HN 0.528 nan 8.370 nan 0.000 0.566 352 R N -0.806 119.744 120.500 0.083 0.000 2.127 352 R HA -0.093 4.247 4.340 -0.001 0.000 0.238 352 R C 1.769 178.187 176.300 0.196 0.000 1.134 352 R CA 1.463 57.637 56.100 0.124 0.000 0.975 352 R CB -0.489 29.849 30.300 0.063 0.000 0.865 352 R HN 0.559 nan 8.270 nan 0.000 0.447 353 A N -0.707 122.190 122.820 0.128 0.000 2.208 353 A HA 0.197 4.516 4.320 -0.001 0.000 0.209 353 A C 1.306 178.940 177.584 0.083 0.000 1.161 353 A CA 0.775 52.886 52.037 0.124 0.000 0.782 353 A CB -0.078 18.960 19.000 0.063 0.000 0.816 353 A HN 0.540 nan 8.150 nan 0.000 0.477 354 G N -0.469 108.317 108.800 -0.024 0.000 2.141 354 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.242 354 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.242 354 G C -0.529 174.221 174.900 -0.249 0.000 0.982 354 G CA 0.137 44.972 45.100 -0.441 0.000 0.662 354 G HN 0.474 nan 8.290 nan 0.000 0.527 355 D N 1.270 121.613 120.400 -0.096 0.000 2.175 355 D HA 0.492 5.131 4.640 -0.001 0.000 0.248 355 D C -2.291 173.999 176.300 -0.017 0.000 1.047 355 D CA -1.393 52.575 54.000 -0.053 0.000 0.883 355 D CB 1.562 42.352 40.800 -0.016 0.000 1.180 355 D HN 0.078 nan 8.370 nan 0.000 0.438 356 P HA 0.181 nan 4.420 nan 0.000 0.271 356 P C -0.280 177.057 177.300 0.061 0.000 1.216 356 P CA -0.178 62.939 63.100 0.029 0.000 0.771 356 P CB 0.473 32.167 31.700 -0.010 0.000 0.864 357 I N -1.141 119.498 120.570 0.116 0.000 2.740 357 I HA 0.702 4.871 4.170 -0.001 0.000 0.303 357 I C -0.759 175.421 176.117 0.104 0.000 1.044 357 I CA -0.731 60.641 61.300 0.120 0.000 1.064 357 I CB 2.517 40.612 38.000 0.158 0.000 1.249 357 I HN 0.042 nan 8.210 nan 0.000 0.433 358 T N 3.625 118.225 114.554 0.077 0.000 2.841 358 T HA 0.509 4.858 4.350 -0.001 0.000 0.283 358 T C -0.516 174.160 174.700 -0.040 0.000 1.000 358 T CA -0.470 61.637 62.100 0.013 0.000 0.977 358 T CB 2.018 70.946 68.868 0.099 0.000 0.979 358 T HN 0.425 nan 8.240 nan 0.000 0.446 359 V N 4.647 124.469 119.914 -0.152 0.000 2.328 359 V HA 0.328 4.447 4.120 -0.001 0.000 0.278 359 V C 0.374 176.378 176.094 -0.150 0.000 1.021 359 V CA -0.937 61.321 62.300 -0.071 0.000 0.838 359 V CB 0.986 32.833 31.823 0.039 0.000 0.999 359 V HN 0.691 nan 8.190 nan 0.000 0.447 360 K N 4.135 124.473 120.400 -0.103 0.000 2.350 360 K HA 0.208 4.528 4.320 -0.001 0.000 0.279 360 K C 0.362 176.872 176.600 -0.151 0.000 1.027 360 K CA -0.106 56.103 56.287 -0.129 0.000 0.969 360 K CB 0.293 32.730 32.500 -0.105 0.000 0.954 360 K HN 0.737 nan 8.250 nan 0.000 0.474 361 N N 0.770 119.368 118.700 -0.170 0.000 2.738 361 N HA -0.219 4.520 4.740 -0.001 0.000 0.249 361 N C 0.410 175.892 175.510 -0.046 0.000 1.047 361 N CA 0.925 53.881 53.050 -0.156 0.000 0.707 361 N CB -1.294 36.900 38.487 -0.489 0.000 0.937 361 N HN 0.771 nan 8.380 nan 0.000 0.545 362 A N -1.088 121.661 122.820 -0.118 0.000 1.970 362 A HA 0.180 4.499 4.320 -0.001 0.000 0.216 362 A C 0.958 178.486 177.584 -0.092 0.000 1.170 362 A CA 1.129 53.076 52.037 -0.149 0.000 0.645 362 A CB 0.652 19.406 19.000 -0.409 0.000 0.816 362 A HN 0.152 nan 8.150 nan 0.000 0.447 363 V N -0.428 119.438 119.914 -0.080 0.000 2.540 363 V HA 0.339 4.458 4.120 -0.001 0.000 0.302 363 V C -0.748 175.405 176.094 0.098 0.000 1.035 363 V CA -0.922 61.383 62.300 0.008 0.000 0.873 363 V CB 1.285 33.071 31.823 -0.062 0.000 0.992 363 V HN 0.331 nan 8.190 nan 0.000 0.428 364 C N 5.777 125.121 119.300 0.073 0.000 2.382 364 C HA 0.737 5.196 4.460 -0.001 0.000 0.327 364 C C -0.065 174.925 174.990 0.000 0.000 1.250 364 C CA -0.625 58.352 59.018 -0.067 0.000 1.707 364 C CB 0.368 28.076 27.740 -0.054 0.000 2.272 364 C HN 0.722 nan 8.230 nan 0.000 0.506 365 I N 3.625 124.155 120.570 -0.066 0.000 2.466 365 I HA 0.562 4.731 4.170 -0.001 0.000 0.289 365 I C -0.288 175.816 176.117 -0.021 0.000 1.026 365 I CA -0.113 61.125 61.300 -0.102 0.000 1.078 365 I CB 1.245 39.083 38.000 -0.270 0.000 1.249 365 I HN 0.977 nan 8.210 nan 0.000 0.429 366 H N 2.904 121.812 119.070 -0.270 0.000 3.003 366 H HA 0.578 5.133 4.556 -0.001 0.000 0.327 366 H C -1.820 173.427 175.328 -0.135 0.000 1.353 366 H CA -1.205 54.788 56.048 -0.090 0.000 1.142 366 H CB 1.269 31.025 29.762 -0.010 0.000 1.864 366 H HN 0.526 nan 8.280 nan 0.000 0.529 367 E N 1.112 121.323 120.200 0.018 0.000 2.207 367 E HA 0.547 4.896 4.350 -0.001 0.000 0.270 367 E C -1.044 175.550 176.600 -0.009 0.000 0.927 367 E CA -1.014 55.331 56.400 -0.090 0.000 0.799 367 E CB 2.650 32.425 29.700 0.124 0.000 1.172 367 E HN 0.711 nan 8.360 nan 0.000 0.404 368 E N 1.612 121.779 120.200 -0.054 0.000 2.393 368 E HA 0.214 4.563 4.350 -0.001 0.000 0.273 368 E C -1.241 175.381 176.600 0.037 0.000 0.918 368 E CA -1.061 55.343 56.400 0.006 0.000 0.773 368 E CB 1.599 31.270 29.700 -0.048 0.000 1.275 368 E HN 0.468 nan 8.360 nan 0.000 0.451 369 D N 1.390 121.817 120.400 0.045 0.000 2.455 369 D HA 0.010 4.649 4.640 -0.001 0.000 0.241 369 D C -0.324 175.989 176.300 0.021 0.000 1.138 369 D CA 0.786 54.811 54.000 0.041 0.000 0.877 369 D CB 0.709 41.527 40.800 0.030 0.000 1.187 369 D HN 0.364 nan 8.370 nan 0.000 0.451 370 D N 0.674 121.090 120.400 0.027 0.000 2.804 370 D HA 0.298 4.937 4.640 -0.001 0.000 0.308 370 D C 0.842 177.143 176.300 0.002 0.000 1.371 370 D CA -0.068 53.939 54.000 0.011 0.000 0.823 370 D CB -0.018 40.799 40.800 0.029 0.000 1.126 370 D HN 0.606 nan 8.370 nan 0.000 0.467 371 G N 0.370 109.167 108.800 -0.004 0.000 2.539 371 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.256 371 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.256 371 G C -0.290 174.594 174.900 -0.027 0.000 1.233 371 G CA -0.121 44.971 45.100 -0.014 0.000 0.936 371 G HN 0.303 nan 8.290 nan 0.000 0.571 372 L N 0.573 121.776 121.223 -0.033 0.000 2.326 372 L HA 0.425 4.764 4.340 -0.001 0.000 0.278 372 L C 1.660 178.481 176.870 -0.081 0.000 1.092 372 L CA -0.745 54.058 54.840 -0.062 0.000 0.810 372 L CB 1.259 43.296 42.059 -0.036 0.000 1.153 372 L HN 0.560 nan 8.230 nan 0.000 0.439 373 L N 3.962 125.064 121.223 -0.202 0.000 2.145 373 L HA 0.259 4.598 4.340 -0.001 0.000 0.201 373 L C -0.069 176.708 176.870 -0.156 0.000 1.075 373 L CA 1.388 56.075 54.840 -0.256 0.000 0.773 373 L CB 0.217 41.968 42.059 -0.513 0.000 0.936 373 L HN 0.568 nan 8.230 nan 0.000 0.451 374 F N -2.751 117.220 119.950 0.034 0.000 2.741 374 F HA 0.573 5.100 4.527 -0.001 0.000 0.311 374 F C -0.699 175.130 175.800 0.048 0.000 1.149 374 F CA -1.411 56.611 58.000 0.036 0.000 0.930 374 F CB 0.950 39.968 39.000 0.029 0.000 1.312 374 F HN -0.253 nan 8.300 nan 0.000 0.450 375 K N 0.847 121.440 120.400 0.321 0.000 2.542 375 K HA 0.580 4.899 4.320 -0.001 0.000 0.259 375 K C -2.483 174.274 176.600 0.262 0.000 0.932 375 K CA -0.816 55.614 56.287 0.238 0.000 0.820 375 K CB 2.341 34.910 32.500 0.115 0.000 1.345 375 K HN 1.031 nan 8.250 nan 0.000 0.432 376 H N 0.237 119.380 119.070 0.121 0.000 3.029 376 H HA 0.520 5.076 4.556 -0.001 0.000 0.358 376 H C -1.833 173.555 175.328 0.101 0.000 1.129 376 H CA -0.236 55.866 56.048 0.089 0.000 1.230 376 H CB 2.046 31.852 29.762 0.074 0.000 1.827 376 H HN 0.518 nan 8.280 nan 0.000 0.530 377 S N 2.879 118.240 115.700 -0.566 0.000 2.568 377 S HA 0.241 4.710 4.470 -0.001 0.000 0.293 377 S C -1.339 173.077 174.600 -0.307 0.000 1.089 377 S CA -0.892 57.149 58.200 -0.265 0.000 0.945 377 S CB 1.636 64.826 63.200 -0.017 0.000 1.077 377 S HN 0.682 nan 8.310 nan 0.000 0.485 378 D N 1.391 121.772 120.400 -0.031 0.000 2.280 378 D HA 0.267 4.906 4.640 -0.001 0.000 0.236 378 D C 0.866 177.105 176.300 -0.102 0.000 1.082 378 D CA -0.980 52.976 54.000 -0.072 0.000 0.834 378 D CB 0.550 41.270 40.800 -0.132 0.000 1.100 378 D HN 0.441 nan 8.370 nan 0.000 0.486 379 F N 3.302 123.225 119.950 -0.046 0.000 2.333 379 F HA -0.008 4.518 4.527 -0.001 0.000 0.300 379 F C 1.753 177.341 175.800 -0.353 0.000 1.083 379 F CA 0.440 58.162 58.000 -0.464 0.000 1.395 379 F CB -0.291 38.591 39.000 -0.197 0.000 1.056 379 F HN 0.206 nan 8.300 nan 0.000 0.529 380 R N 0.921 120.950 120.500 -0.785 0.000 2.120 380 R HA -0.123 4.217 4.340 -0.001 0.000 0.234 380 R C 0.544 176.703 176.300 -0.235 0.000 1.123 380 R CA 1.511 57.318 56.100 -0.490 0.000 0.975 380 R CB -0.626 29.362 30.300 -0.520 0.000 0.866 380 R HN 0.524 nan 8.270 nan 0.000 0.446 381 D N -0.937 119.327 120.400 -0.226 0.000 2.755 381 D HA 0.051 4.690 4.640 -0.001 0.000 0.257 381 D C -0.587 175.623 176.300 -0.151 0.000 1.291 381 D CA -0.538 53.378 54.000 -0.141 0.000 0.836 381 D CB -0.221 40.525 40.800 -0.089 0.000 1.059 381 D HN -0.110 nan 8.370 nan 0.000 0.486 382 N N 0.618 119.153 118.700 -0.276 0.000 2.735 382 N HA -0.255 4.484 4.740 -0.001 0.000 0.248 382 N C -0.552 174.806 175.510 -0.253 0.000 1.083 382 N CA 0.836 53.660 53.050 -0.377 0.000 0.703 382 N CB -1.440 36.958 38.487 -0.148 0.000 1.005 382 N HN 0.360 nan 8.380 nan 0.000 0.550 383 F N -4.452 115.504 119.950 0.010 0.000 2.884 383 F HA -0.314 4.212 4.527 -0.001 0.000 0.294 383 F C 1.654 177.461 175.800 0.012 0.000 0.723 383 F CA 0.537 58.534 58.000 -0.004 0.000 1.294 383 F CB -1.994 37.011 39.000 0.007 0.000 1.551 383 F HN 0.309 nan 8.300 nan 0.000 0.363 384 A N -1.081 121.811 122.820 0.119 0.000 1.930 384 A HA -0.019 4.300 4.320 -0.001 0.000 0.217 384 A C 1.456 179.111 177.584 0.118 0.000 1.175 384 A CA 1.871 53.976 52.037 0.112 0.000 0.627 384 A CB -0.463 18.571 19.000 0.057 0.000 0.815 384 A HN 0.341 nan 8.150 nan 0.000 0.443 385 T N 1.024 115.618 114.554 0.066 0.000 2.769 385 T HA 0.435 4.784 4.350 -0.001 0.000 0.293 385 T C -0.265 174.482 174.700 0.078 0.000 0.931 385 T CA 0.601 62.729 62.100 0.046 0.000 1.139 385 T CB 0.232 69.099 68.868 -0.003 0.000 0.881 385 T HN 0.288 nan 8.240 nan 0.000 0.532 386 S N 3.371 119.128 115.700 0.094 0.000 2.542 386 S HA 0.646 5.116 4.470 -0.001 0.000 0.276 386 S C -1.777 172.893 174.600 0.117 0.000 1.148 386 S CA -0.854 57.424 58.200 0.130 0.000 0.886 386 S CB 0.973 64.311 63.200 0.229 0.000 1.109 386 S HN 0.668 nan 8.310 nan 0.000 0.458 387 L N 4.683 125.988 121.223 0.136 0.000 2.410 387 L HA 0.890 5.229 4.340 -0.001 0.000 0.270 387 L C -1.691 175.294 176.870 0.191 0.000 0.983 387 L CA -0.514 54.411 54.840 0.142 0.000 0.822 387 L CB 1.774 43.916 42.059 0.137 0.000 1.285 387 L HN 0.534 nan 8.230 nan 0.000 0.409 388 V N 2.379 122.400 119.914 0.178 0.000 2.638 388 V HA 0.632 4.751 4.120 -0.001 0.000 0.306 388 V C -0.420 175.699 176.094 0.042 0.000 1.052 388 V CA -0.458 61.915 62.300 0.122 0.000 0.885 388 V CB 1.922 33.810 31.823 0.108 0.000 0.999 388 V HN 0.771 nan 8.190 nan 0.000 0.424 389 T N 4.347 118.827 114.554 -0.124 0.000 2.841 389 T HA 0.515 4.864 4.350 -0.001 0.000 0.285 389 T C -0.212 174.297 174.700 -0.319 0.000 0.991 389 T CA -0.658 61.274 62.100 -0.279 0.000 0.966 389 T CB 1.405 69.934 68.868 -0.564 0.000 0.962 389 T HN 0.577 nan 8.240 nan 0.000 0.438 390 R N 1.346 121.744 120.500 -0.171 0.000 2.459 390 R HA 0.727 5.066 4.340 -0.001 0.000 0.281 390 R C -0.012 176.221 176.300 -0.111 0.000 1.050 390 R CA -0.637 55.393 56.100 -0.116 0.000 1.055 390 R CB 0.994 31.267 30.300 -0.044 0.000 1.045 390 R HN 0.687 nan 8.270 nan 0.000 0.495 391 A N 1.499 124.281 122.820 -0.064 0.000 2.303 391 A HA 0.491 4.810 4.320 -0.001 0.000 0.317 391 A C -0.433 177.197 177.584 0.077 0.000 1.149 391 A CA -0.381 51.655 52.037 -0.001 0.000 0.822 391 A CB 1.195 20.203 19.000 0.012 0.000 1.131 391 A HN 0.615 nan 8.150 nan 0.000 0.493 392 T N 2.099 116.758 114.554 0.175 0.000 2.856 392 T HA 0.556 4.905 4.350 -0.001 0.000 0.283 392 T C -0.358 174.586 174.700 0.407 0.000 1.008 392 T CA -0.685 61.579 62.100 0.273 0.000 0.997 392 T CB 1.313 70.399 68.868 0.364 0.000 0.992 392 T HN 0.765 nan 8.240 nan 0.000 0.454 393 K N 1.561 122.082 120.400 0.202 0.000 2.267 393 K HA 0.790 5.110 4.320 -0.001 0.000 0.246 393 K C -1.361 175.012 176.600 -0.378 0.000 0.954 393 K CA -1.102 55.206 56.287 0.036 0.000 0.824 393 K CB 1.773 34.263 32.500 -0.016 0.000 1.167 393 K HN 0.371 nan 8.250 nan 0.000 0.431 394 L N 2.111 122.843 121.223 -0.818 0.000 2.307 394 L HA 0.436 4.775 4.340 -0.001 0.000 0.284 394 L C -1.486 175.120 176.870 -0.440 0.000 1.023 394 L CA -0.499 53.770 54.840 -0.952 0.000 0.810 394 L CB 1.875 42.978 42.059 -1.593 0.000 1.231 394 L HN 0.571 nan 8.230 nan 0.000 0.423 395 V N 5.601 125.262 119.914 -0.422 0.000 2.487 395 V HA 0.556 4.675 4.120 -0.001 0.000 0.298 395 V C -0.645 175.406 176.094 -0.072 0.000 1.028 395 V CA -0.690 61.491 62.300 -0.198 0.000 0.860 395 V CB 1.903 33.549 31.823 -0.295 0.000 0.991 395 V HN 0.498 nan 8.190 nan 0.000 0.427 396 V N 4.314 124.299 119.914 0.117 0.000 2.407 396 V HA 0.742 4.861 4.120 -0.001 0.000 0.291 396 V C -0.018 176.233 176.094 0.262 0.000 1.018 396 V CA -0.209 62.188 62.300 0.161 0.000 0.842 396 V CB 1.662 33.603 31.823 0.197 0.000 0.996 396 V HN 1.036 nan 8.190 nan 0.000 0.426 397 S N 4.363 120.179 115.700 0.193 0.000 2.595 397 S HA 0.927 5.396 4.470 -0.001 0.000 0.281 397 S C -1.082 173.575 174.600 0.095 0.000 1.117 397 S CA -0.824 57.437 58.200 0.101 0.000 0.873 397 S CB 2.545 65.757 63.200 0.020 0.000 1.108 397 S HN 0.855 nan 8.310 nan 0.000 0.477 398 Q N 0.440 120.263 119.800 0.039 0.000 2.511 398 Q HA 0.771 5.111 4.340 -0.001 0.000 0.289 398 Q C -1.742 174.287 176.000 0.049 0.000 1.021 398 Q CA -1.147 54.733 55.803 0.128 0.000 0.785 398 Q CB 1.519 30.453 28.738 0.327 0.000 1.472 398 Q HN 0.746 nan 8.270 nan 0.000 0.411 399 I N 2.082 122.725 120.570 0.121 0.000 2.499 399 I HA 0.528 4.698 4.170 -0.001 0.000 0.288 399 I C -1.082 175.175 176.117 0.233 0.000 1.048 399 I CA -0.951 60.401 61.300 0.087 0.000 1.062 399 I CB 1.505 39.518 38.000 0.022 0.000 1.238 399 I HN 0.686 nan 8.210 nan 0.000 0.426 400 F N 2.775 122.810 119.950 0.142 0.000 2.538 400 F HA 0.811 5.337 4.527 -0.001 0.000 0.325 400 F C -0.605 175.288 175.800 0.155 0.000 1.066 400 F CA -0.644 57.454 58.000 0.163 0.000 0.946 400 F CB 1.699 40.805 39.000 0.177 0.000 1.199 400 F HN 0.170 nan 8.300 nan 0.000 0.473 401 T N 2.613 117.344 114.554 0.295 0.000 2.791 401 T HA 0.682 5.031 4.350 -0.001 0.000 0.288 401 T C -0.568 174.246 174.700 0.190 0.000 0.999 401 T CA -0.500 61.674 62.100 0.123 0.000 0.952 401 T CB 1.168 70.083 68.868 0.078 0.000 0.938 401 T HN 0.911 nan 8.240 nan 0.000 0.444 402 A N 2.902 125.796 122.820 0.122 0.000 2.394 402 A HA 0.783 5.103 4.320 -0.001 0.000 0.333 402 A C 1.143 178.627 177.584 -0.167 0.000 1.397 402 A CA 0.043 52.066 52.037 -0.023 0.000 0.884 402 A CB -0.673 18.368 19.000 0.068 0.000 1.147 402 A HN 1.482 nan 8.150 nan 0.000 0.505 403 A N 2.625 125.353 122.820 -0.153 0.000 5.078 403 A HA -0.316 4.003 4.320 -0.001 0.000 0.342 403 A C 1.050 178.635 177.584 0.003 0.000 1.749 403 A CA 1.808 53.817 52.037 -0.046 0.000 0.700 403 A CB -2.093 16.874 19.000 -0.056 0.000 1.446 403 A HN 1.531 nan 8.150 nan 0.000 0.395 407 Y N 1.074 121.067 120.300 -0.511 0.000 2.338 407 Y HA 0.423 4.972 4.550 -0.002 0.000 0.328 407 Y C -0.439 175.245 175.900 -0.360 0.000 0.965 407 Y CA -0.882 56.924 58.100 -0.490 0.000 1.208 407 Y CB 1.168 39.149 38.460 -0.799 0.000 1.132 407 Y HN 0.460 nan 8.280 nan 0.000 0.469 408 C N 5.588 124.822 119.300 -0.110 0.000 2.303 408 C HA 0.587 5.046 4.460 -0.001 0.000 0.341 408 C C 0.065 174.869 174.990 -0.309 0.000 1.244 408 C CA -1.125 57.778 59.018 -0.192 0.000 1.765 408 C CB -1.130 26.578 27.740 -0.053 0.000 2.379 408 C HN 0.640 nan 8.230 nan 0.000 0.530 409 L N 3.983 124.940 121.223 -0.444 0.000 2.325 409 L HA 0.497 4.836 4.340 -0.001 0.000 0.281 409 L C -1.091 175.431 176.870 -0.580 0.000 1.004 409 L CA -0.412 54.206 54.840 -0.370 0.000 0.823 409 L CB 0.723 42.735 42.059 -0.078 0.000 1.236 409 L HN 0.626 nan 8.230 nan 0.000 0.415 410 Y N 0.960 121.108 120.300 -0.253 0.000 2.332 410 Y HA 0.318 4.868 4.550 -0.002 0.000 0.326 410 Y C -0.824 174.877 175.900 -0.332 0.000 0.978 410 Y CA -0.656 57.339 58.100 -0.174 0.000 1.205 410 Y CB 1.217 39.602 38.460 -0.126 0.000 1.131 410 Y HN 0.464 nan 8.280 nan 0.000 0.462 411 W N 3.698 125.014 121.300 0.027 0.000 2.331 411 W HA 0.641 5.300 4.660 -0.001 0.000 0.306 411 W C -0.947 175.505 176.519 -0.111 0.000 1.162 411 W CA -0.751 56.539 57.345 -0.092 0.000 1.232 411 W CB 1.130 30.541 29.460 -0.081 0.000 1.235 411 W HN 0.127 nan 8.180 nan 0.000 0.479 412 V N 5.162 125.029 119.914 -0.080 0.000 2.444 412 V HA 0.429 4.548 4.120 -0.001 0.000 0.294 412 V C -0.578 175.349 176.094 -0.280 0.000 1.022 412 V CA -1.166 61.067 62.300 -0.111 0.000 0.850 412 V CB 0.714 32.471 31.823 -0.111 0.000 0.992 412 V HN 0.259 nan 8.190 nan 0.000 0.426 413 F N 4.498 124.319 119.950 -0.215 0.000 2.421 413 F HA 0.733 5.259 4.527 -0.001 0.000 0.337 413 F C 0.333 176.235 175.800 0.169 0.000 1.105 413 F CA -0.432 57.461 58.000 -0.178 0.000 1.049 413 F CB 1.790 40.559 39.000 -0.386 0.000 1.139 413 F HN 0.278 nan 8.300 nan 0.000 0.479 414 M N 1.758 121.687 119.600 0.550 0.000 2.662 414 M HA 0.297 4.776 4.480 -0.001 0.000 0.310 414 M C 0.541 177.235 176.300 0.657 0.000 1.204 414 M CA -0.551 55.079 55.300 0.550 0.000 0.891 414 M CB 2.307 35.075 32.600 0.280 0.000 1.732 414 M HN 0.595 nan 8.290 nan 0.000 0.467 415 Q N 0.611 120.675 119.800 0.440 0.000 2.472 415 Q HA -0.100 4.239 4.340 -0.001 0.000 0.208 415 Q C 0.442 176.540 176.000 0.162 0.000 0.958 415 Q CA 0.730 56.679 55.803 0.244 0.000 0.932 415 Q CB 0.068 28.875 28.738 0.115 0.000 1.007 415 Q HN 0.655 nan 8.270 nan 0.000 0.508 416 D N -1.176 119.329 120.400 0.176 0.000 2.340 416 D HA 0.022 4.661 4.640 -0.001 0.000 0.220 416 D C 1.134 177.457 176.300 0.039 0.000 1.039 416 D CA 0.768 54.813 54.000 0.075 0.000 0.866 416 D CB 0.209 41.066 40.800 0.096 0.000 0.913 416 D HN 0.233 nan 8.370 nan 0.000 0.523 417 G N -0.359 108.559 108.800 0.196 0.000 2.175 417 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.244 417 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.244 417 G C 0.516 175.733 174.900 0.527 0.000 0.982 417 G CA 0.174 45.436 45.100 0.269 0.000 0.641 417 G HN 0.813 nan 8.290 nan 0.000 0.527 418 A N -0.308 122.728 122.820 0.360 0.000 2.332 418 A HA 0.796 5.115 4.320 -0.001 0.000 0.258 418 A C 0.185 177.903 177.584 0.223 0.000 1.087 418 A CA 0.139 52.336 52.037 0.268 0.000 0.802 418 A CB 0.487 19.558 19.000 0.119 0.000 1.042 418 A HN 0.870 nan 8.150 nan 0.000 0.489 419 I N 0.511 121.131 120.570 0.084 0.000 2.498 419 I HA 0.493 4.663 4.170 -0.001 0.000 0.290 419 I C 0.092 176.115 176.117 -0.157 0.000 1.032 419 I CA -0.344 60.822 61.300 -0.224 0.000 1.073 419 I CB 2.028 39.826 38.000 -0.337 0.000 1.251 419 I HN 0.776 nan 8.210 nan 0.000 0.426 420 R N 4.849 125.213 120.500 -0.228 0.000 2.750 420 R HA 0.715 5.054 4.340 -0.001 0.000 0.281 420 R C -1.869 174.275 176.300 -0.260 0.000 0.972 420 R CA -0.827 55.157 56.100 -0.193 0.000 0.912 420 R CB 2.087 32.299 30.300 -0.147 0.000 1.187 420 R HN 0.520 nan 8.270 nan 0.000 0.464 421 L N 3.318 124.336 121.223 -0.343 0.000 2.325 421 L HA 0.489 4.828 4.340 -0.001 0.000 0.281 421 L C -1.573 175.056 176.870 -0.401 0.000 1.004 421 L CA -0.212 54.303 54.840 -0.542 0.000 0.823 421 L CB 1.644 43.216 42.059 -0.811 0.000 1.236 421 L HN 0.580 nan 8.230 nan 0.000 0.415 422 D N 6.003 126.226 120.400 -0.296 0.000 2.256 422 D HA 0.564 5.204 4.640 -0.001 0.000 0.246 422 D C -0.493 175.763 176.300 -0.073 0.000 1.042 422 D CA 0.194 54.103 54.000 -0.152 0.000 0.841 422 D CB 2.298 43.038 40.800 -0.100 0.000 1.223 422 D HN 0.457 nan 8.370 nan 0.000 0.470 423 I N 1.385 121.911 120.570 -0.074 0.000 2.608 423 I HA 0.389 4.558 4.170 -0.001 0.000 0.295 423 I C -0.034 176.090 176.117 0.012 0.000 1.049 423 I CA -0.811 60.457 61.300 -0.053 0.000 1.063 423 I CB 2.170 40.045 38.000 -0.209 0.000 1.248 423 I HN -0.056 nan 8.210 nan 0.000 0.424 424 R N 6.067 126.607 120.500 0.067 0.000 2.439 424 R HA 0.607 4.946 4.340 -0.001 0.000 0.310 424 R C -1.318 174.947 176.300 -0.058 0.000 0.955 424 R CA -0.819 55.291 56.100 0.018 0.000 0.853 424 R CB 2.016 32.363 30.300 0.078 0.000 1.171 424 R HN 0.485 nan 8.270 nan 0.000 0.449 425 L N 2.257 123.406 121.223 -0.123 0.000 2.276 425 L HA 0.447 4.786 4.340 -0.001 0.000 0.286 425 L C 0.691 177.421 176.870 -0.234 0.000 1.061 425 L CA -0.097 54.590 54.840 -0.255 0.000 0.807 425 L CB 1.471 43.335 42.059 -0.324 0.000 1.177 425 L HN 0.675 nan 8.230 nan 0.000 0.429 426 T N 1.062 115.446 114.554 -0.283 0.000 2.564 426 T HA 0.804 5.154 4.350 -0.001 0.000 0.265 426 T C 0.054 174.597 174.700 -0.261 0.000 0.908 426 T CA 0.404 62.369 62.100 -0.225 0.000 1.166 426 T CB 1.221 69.981 68.868 -0.180 0.000 1.497 426 T HN 0.976 nan 8.240 nan 0.000 0.484 427 G N 0.401 109.052 108.800 -0.248 0.000 2.499 427 G HA2 -0.065 3.894 3.960 -0.001 0.000 0.232 427 G HA3 -0.065 3.894 3.960 -0.001 0.000 0.232 427 G C -0.900 173.846 174.900 -0.258 0.000 1.251 427 G CA -0.115 44.829 45.100 -0.259 0.000 0.917 427 G HN 0.939 nan 8.290 nan 0.000 0.580 428 I N 0.747 121.155 120.570 -0.270 0.000 2.608 428 I HA 0.423 4.592 4.170 -0.001 0.000 0.295 428 I C 0.626 176.621 176.117 -0.204 0.000 1.049 428 I CA -0.916 60.209 61.300 -0.291 0.000 1.063 428 I CB 1.845 39.543 38.000 -0.503 0.000 1.248 428 I HN 0.503 nan 8.210 nan 0.000 0.424 429 L N 4.982 126.193 121.223 -0.020 0.000 2.525 429 L HA 0.023 4.362 4.340 -0.001 0.000 0.278 429 L C 0.894 177.763 176.870 -0.001 0.000 1.218 429 L CA 0.231 55.107 54.840 0.060 0.000 0.878 429 L CB -0.163 42.000 42.059 0.174 0.000 1.127 429 L HN 0.650 nan 8.230 nan 0.000 0.492 430 N N 2.388 121.123 118.700 0.059 0.000 2.483 430 N HA 0.059 4.798 4.740 -0.001 0.000 0.264 430 N C -0.672 174.923 175.510 0.142 0.000 1.197 430 N CA -0.110 53.026 53.050 0.144 0.000 0.927 430 N CB 0.872 39.452 38.487 0.154 0.000 1.065 430 N HN 0.702 nan 8.380 nan 0.000 0.461 431 T N 0.950 115.664 114.554 0.266 0.000 2.907 431 T HA 0.422 4.771 4.350 -0.001 0.000 0.292 431 T C -0.943 173.834 174.700 0.127 0.000 1.043 431 T CA -0.747 61.443 62.100 0.150 0.000 1.003 431 T CB 1.582 70.589 68.868 0.231 0.000 1.084 431 T HN 0.492 nan 8.240 nan 0.000 0.483 432 Y N 1.283 121.446 120.300 -0.230 0.000 2.602 432 Y HA 0.689 5.238 4.550 -0.002 0.000 0.342 432 Y C -0.406 175.399 175.900 -0.158 0.000 1.029 432 Y CA -2.097 55.864 58.100 -0.233 0.000 1.080 432 Y CB 1.477 39.732 38.460 -0.342 0.000 1.284 432 Y HN 0.973 nan 8.280 nan 0.000 0.485 433 I N 3.820 123.786 120.570 -1.006 0.000 2.696 433 I HA 0.242 4.411 4.170 -0.001 0.000 0.284 433 I C -1.313 174.581 176.117 -0.372 0.000 1.129 433 I CA -0.222 60.707 61.300 -0.619 0.000 1.410 433 I CB 0.530 38.160 38.000 -0.617 0.000 1.399 433 I HN 0.587 nan 8.210 nan 0.000 0.579 434 L N 6.945 128.052 121.223 -0.193 0.000 2.409 434 L HA 0.629 4.969 4.340 -0.001 0.000 0.272 434 L C 0.035 176.866 176.870 -0.065 0.000 0.980 434 L CA -0.109 54.683 54.840 -0.080 0.000 0.826 434 L CB 1.537 43.558 42.059 -0.064 0.000 1.268 434 L HN 0.636 nan 8.230 nan 0.000 0.407 435 G N 2.223 111.009 108.800 -0.023 0.000 2.636 435 G HA2 0.118 4.077 3.960 -0.001 0.000 0.246 435 G HA3 0.118 4.077 3.960 -0.001 0.000 0.246 435 G C 0.317 175.210 174.900 -0.013 0.000 1.216 435 G CA -0.177 44.915 45.100 -0.014 0.000 0.854 435 G HN 0.780 nan 8.290 nan 0.000 0.572 436 D N 0.040 120.437 120.400 -0.006 0.000 2.158 436 D HA -0.094 4.545 4.640 -0.001 0.000 0.197 436 D C 1.267 177.564 176.300 -0.005 0.000 0.995 436 D CA 1.270 55.269 54.000 -0.002 0.000 0.846 436 D CB 0.218 41.023 40.800 0.008 0.000 0.941 436 D HN 0.402 nan 8.370 nan 0.000 0.456 437 D N 0.216 120.616 120.400 0.001 0.000 2.363 437 D HA 0.012 4.651 4.640 -0.001 0.000 0.214 437 D C 0.301 176.605 176.300 0.008 0.000 1.093 437 D CA -0.047 53.955 54.000 0.002 0.000 0.837 437 D CB 0.541 41.344 40.800 0.005 0.000 0.948 437 D HN 0.308 nan 8.370 nan 0.000 0.507 438 E N 1.644 121.851 120.200 0.011 0.000 2.259 438 E HA 0.114 4.463 4.350 -0.001 0.000 0.281 438 E C -0.434 176.178 176.600 0.020 0.000 1.027 438 E CA -0.500 55.916 56.400 0.027 0.000 0.838 438 E CB 1.097 30.824 29.700 0.045 0.000 1.066 438 E HN -0.198 nan 8.360 nan 0.000 0.401 439 E N 3.097 123.312 120.200 0.024 0.000 2.259 439 E HA 0.230 4.579 4.350 -0.001 0.000 0.281 439 E C -0.113 176.507 176.600 0.033 0.000 1.027 439 E CA 0.178 56.584 56.400 0.010 0.000 0.838 439 E CB 1.453 31.148 29.700 -0.009 0.000 1.066 439 E HN 0.544 nan 8.360 nan 0.000 0.401 440 A N 4.064 126.900 122.820 0.027 0.000 1.970 440 A HA 0.203 4.522 4.320 -0.001 0.000 0.216 440 A C 1.292 178.903 177.584 0.044 0.000 1.170 440 A CA 0.818 52.896 52.037 0.068 0.000 0.645 440 A CB -0.708 18.324 19.000 0.053 0.000 0.816 440 A HN 0.641 nan 8.150 nan 0.000 0.447 441 G N -0.330 108.447 108.800 -0.039 0.000 2.594 441 G HA2 0.387 4.346 3.960 -0.001 0.000 0.243 441 G HA3 0.387 4.346 3.960 -0.001 0.000 0.243 441 G C -1.191 173.511 174.900 -0.330 0.000 1.229 441 G CA -0.361 44.652 45.100 -0.145 0.000 0.843 441 G HN 0.212 nan 8.290 nan 0.000 0.578 442 P HA 0.070 nan 4.420 nan 0.000 0.255 442 P C 0.509 177.568 177.300 -0.402 0.000 1.248 442 P CA 0.407 63.128 63.100 -0.631 0.000 0.807 442 P CB 0.163 31.314 31.700 -0.915 0.000 1.150 443 W N 0.487 121.845 121.300 0.096 0.000 3.077 443 W HA 0.407 5.067 4.660 -0.001 0.000 0.266 443 W C 1.039 177.670 176.519 0.187 0.000 1.300 443 W CA -0.070 57.342 57.345 0.112 0.000 1.586 443 W CB 0.299 29.781 29.460 0.037 0.000 1.103 443 W HN -0.023 nan 8.180 nan 0.000 0.652 444 G N -0.536 108.468 108.800 0.340 0.000 2.606 444 G HA2 0.530 4.489 3.960 -0.001 0.000 0.300 444 G HA3 0.530 4.489 3.960 -0.001 0.000 0.300 444 G C -1.440 173.554 174.900 0.157 0.000 1.360 444 G CA -0.617 44.663 45.100 0.301 0.000 0.783 444 G HN -0.294 nan 8.290 nan 0.000 0.484 445 T N 0.091 114.708 114.554 0.105 0.000 2.861 445 T HA 0.470 4.819 4.350 -0.001 0.000 0.287 445 T C -0.052 174.644 174.700 -0.008 0.000 1.003 445 T CA -0.619 61.510 62.100 0.047 0.000 0.977 445 T CB 1.890 70.793 68.868 0.058 0.000 0.996 445 T HN 0.562 nan 8.240 nan 0.000 0.448 446 R N 2.776 123.262 120.500 -0.024 0.000 2.309 446 R HA 0.267 4.607 4.340 -0.001 0.000 0.331 446 R C 1.022 177.277 176.300 -0.076 0.000 1.116 446 R CA -0.151 55.909 56.100 -0.065 0.000 0.970 446 R CB -0.192 30.071 30.300 -0.060 0.000 1.024 446 R HN 0.580 nan 8.270 nan 0.000 0.472 447 V N 2.289 122.119 119.914 -0.140 0.000 3.650 447 V HA 0.291 4.410 4.120 -0.001 0.000 0.271 447 V C -0.281 175.781 176.094 -0.053 0.000 1.281 447 V CA 0.003 62.224 62.300 -0.132 0.000 1.120 447 V CB -0.773 30.896 31.823 -0.256 0.000 0.856 447 V HN 0.693 nan 8.190 nan 0.000 0.443 448 Y N -0.716 119.420 120.300 -0.273 0.000 2.638 448 Y HA 0.569 5.119 4.550 -0.001 0.000 0.334 448 Y C -3.168 172.589 175.900 -0.238 0.000 1.182 448 Y CA -2.148 55.839 58.100 -0.189 0.000 1.102 448 Y CB 1.612 39.979 38.460 -0.155 0.000 1.343 448 Y HN -0.115 nan 8.280 nan 0.000 0.463 449 P HA 0.172 nan 4.420 nan 0.000 0.262 449 P C -0.705 176.341 177.300 -0.423 0.000 1.182 449 P CA 1.316 64.015 63.100 -0.667 0.000 0.761 449 P CB 0.184 31.128 31.700 -1.260 0.000 0.795 450 N N -0.806 117.748 118.700 -0.243 0.000 2.753 450 N HA -0.143 4.596 4.740 -0.001 0.000 0.251 450 N C -0.910 174.511 175.510 -0.148 0.000 1.097 450 N CA 0.293 53.253 53.050 -0.150 0.000 0.786 450 N CB -1.398 37.028 38.487 -0.103 0.000 1.137 450 N HN 0.115 nan 8.380 nan 0.000 0.566 451 V N 0.650 120.476 119.914 -0.147 0.000 2.444 451 V HA 0.387 4.506 4.120 -0.001 0.000 0.294 451 V C -0.130 175.862 176.094 -0.170 0.000 1.022 451 V CA -0.790 61.412 62.300 -0.163 0.000 0.850 451 V CB 1.769 33.459 31.823 -0.223 0.000 0.992 451 V HN 0.194 nan 8.190 nan 0.000 0.426 452 N N 3.819 122.428 118.700 -0.152 0.000 2.444 452 N HA 0.573 5.313 4.740 -0.001 0.000 0.262 452 N C -0.400 174.987 175.510 -0.206 0.000 0.974 452 N CA -0.282 52.690 53.050 -0.131 0.000 0.933 452 N CB 1.874 40.319 38.487 -0.070 0.000 1.137 452 N HN 0.807 nan 8.380 nan 0.000 0.498 453 A N 3.863 126.605 122.820 -0.130 0.000 2.280 453 A HA 0.323 4.643 4.320 -0.001 0.000 0.320 453 A C -0.385 177.239 177.584 0.068 0.000 1.366 453 A CA -0.491 51.506 52.037 -0.067 0.000 0.938 453 A CB -0.285 18.692 19.000 -0.039 0.000 1.157 453 A HN 0.856 nan 8.150 nan 0.000 0.536 454 H N 2.076 121.260 119.070 0.189 0.000 2.707 454 H HA 0.086 4.641 4.556 -0.001 0.000 0.359 454 H C 0.204 175.706 175.328 0.289 0.000 1.113 454 H CA -0.437 55.764 56.048 0.256 0.000 1.422 454 H CB 0.662 30.601 29.762 0.295 0.000 1.443 454 H HN 0.660 nan 8.280 nan 0.000 0.591 455 N N 2.969 121.871 118.700 0.336 0.000 2.395 455 N HA -0.015 4.725 4.740 -0.001 0.000 0.246 455 N C -0.234 175.221 175.510 -0.091 0.000 1.246 455 N CA 0.510 53.591 53.050 0.052 0.000 0.879 455 N CB 0.315 38.886 38.487 0.139 0.000 1.098 455 N HN 0.679 nan 8.380 nan 0.000 0.444 456 H N -1.624 117.161 119.070 -0.475 0.000 3.003 456 H HA 0.355 4.910 4.556 -0.001 0.000 0.327 456 H C -1.263 173.778 175.328 -0.478 0.000 1.353 456 H CA -0.789 54.856 56.048 -0.673 0.000 1.142 456 H CB 0.898 29.788 29.762 -1.453 0.000 1.864 456 H HN 0.394 nan 8.280 nan 0.000 0.529 457 Q N 0.633 120.222 119.800 -0.352 0.000 2.248 457 Q HA 0.368 4.708 4.340 -0.001 0.000 0.263 457 Q C -0.703 175.150 176.000 -0.245 0.000 1.007 457 Q CA -0.948 54.709 55.803 -0.244 0.000 0.877 457 Q CB 2.249 30.895 28.738 -0.154 0.000 1.315 457 Q HN 0.531 nan 8.270 nan 0.000 0.454 458 H N 1.658 120.716 119.070 -0.020 0.000 2.587 458 H HA 0.429 4.984 4.556 -0.001 0.000 0.325 458 H C -0.869 174.343 175.328 -0.194 0.000 1.012 458 H CA -0.294 55.714 56.048 -0.067 0.000 1.213 458 H CB 0.907 30.742 29.762 0.121 0.000 1.431 458 H HN 0.347 nan 8.280 nan 0.000 0.492 459 L N 3.857 124.916 121.223 -0.274 0.000 2.362 459 L HA 0.491 4.831 4.340 -0.001 0.000 0.271 459 L C -0.883 175.745 176.870 -0.404 0.000 1.002 459 L CA -0.754 53.974 54.840 -0.186 0.000 0.818 459 L CB 1.657 43.690 42.059 -0.043 0.000 1.298 459 L HN 0.390 nan 8.230 nan 0.000 0.420 460 F N 0.009 119.807 119.950 -0.253 0.000 2.576 460 F HA 0.413 4.939 4.527 -0.001 0.000 0.313 460 F C 0.205 175.828 175.800 -0.295 0.000 1.078 460 F CA -0.733 57.028 58.000 -0.399 0.000 0.921 460 F CB 2.281 40.727 39.000 -0.923 0.000 1.232 460 F HN 0.240 nan 8.300 nan 0.000 0.459 461 S N 3.241 118.818 115.700 -0.205 0.000 2.532 461 S HA 0.481 4.951 4.470 -0.001 0.000 0.318 461 S C -1.111 173.547 174.600 0.097 0.000 1.083 461 S CA -0.552 57.542 58.200 -0.176 0.000 1.131 461 S CB 0.168 62.871 63.200 -0.827 0.000 0.973 461 S HN 0.551 nan 8.310 nan 0.000 0.468 462 L N 5.948 127.351 121.223 0.300 0.000 2.319 462 L HA 0.533 4.872 4.340 -0.001 0.000 0.280 462 L C 0.194 177.092 176.870 0.046 0.000 1.099 462 L CA 0.220 55.215 54.840 0.257 0.000 0.828 462 L CB 0.624 42.881 42.059 0.330 0.000 1.150 462 L HN 0.692 nan 8.230 nan 0.000 0.442 463 R N 6.274 126.688 120.500 -0.144 0.000 2.265 463 R HA 0.577 4.916 4.340 -0.001 0.000 0.328 463 R C -1.419 174.633 176.300 -0.414 0.000 0.969 463 R CA -0.511 55.258 56.100 -0.552 0.000 0.832 463 R CB 0.571 30.508 30.300 -0.605 0.000 1.139 463 R HN 0.778 nan 8.270 nan 0.000 0.457 464 I N 3.427 123.760 120.570 -0.396 0.000 2.406 464 I HA 0.191 4.360 4.170 -0.001 0.000 0.290 464 I C -0.607 175.366 176.117 -0.239 0.000 0.999 464 I CA -0.755 60.320 61.300 -0.375 0.000 1.124 464 I CB 1.916 39.651 38.000 -0.442 0.000 1.289 464 I HN 0.506 nan 8.210 nan 0.000 0.441 465 D N 9.392 129.683 120.400 -0.182 0.000 2.473 465 D HA 0.342 4.981 4.640 -0.001 0.000 0.226 465 D C -2.577 173.762 176.300 0.066 0.000 1.089 465 D CA -2.071 51.917 54.000 -0.020 0.000 0.883 465 D CB 1.435 42.262 40.800 0.045 0.000 1.029 465 D HN 0.135 nan 8.370 nan 0.000 0.517 466 P HA 0.385 nan 4.420 nan 0.000 0.282 466 P C -0.505 176.883 177.300 0.146 0.000 1.259 466 P CA -0.639 62.608 63.100 0.245 0.000 0.826 466 P CB 1.333 33.155 31.700 0.204 0.000 1.064 467 R N 1.574 122.153 120.500 0.132 0.000 2.593 467 R HA 0.276 4.615 4.340 -0.001 0.000 0.258 467 R C -0.337 175.992 176.300 0.048 0.000 1.410 467 R CA -0.378 55.762 56.100 0.068 0.000 1.537 467 R CB -0.005 30.344 30.300 0.082 0.000 1.362 467 R HN 0.341 nan 8.270 nan 0.000 0.734 468 I N 2.486 123.092 120.570 0.060 0.000 2.576 468 I HA -0.019 4.150 4.170 -0.001 0.000 0.288 468 I C 0.587 176.810 176.117 0.176 0.000 1.126 468 I CA 0.822 62.191 61.300 0.115 0.000 1.362 468 I CB 0.111 38.219 38.000 0.181 0.000 1.419 468 I HN 0.589 nan 8.210 nan 0.000 0.533 469 D N 4.983 125.530 120.400 0.245 0.000 2.837 469 D HA -0.158 4.481 4.640 -0.001 0.000 0.230 469 D C 0.595 176.919 176.300 0.040 0.000 1.152 469 D CA 1.649 55.707 54.000 0.096 0.000 0.736 469 D CB -0.675 40.086 40.800 -0.064 0.000 1.084 469 D HN 1.173 nan 8.370 nan 0.000 0.429 470 G N -1.097 107.734 108.800 0.052 0.000 2.422 470 G HA2 -0.038 3.921 3.960 -0.001 0.000 0.607 470 G HA3 -0.038 3.921 3.960 -0.001 0.000 0.607 470 G C -1.067 173.841 174.900 0.015 0.000 1.270 470 G CA -0.246 44.869 45.100 0.025 0.000 0.992 470 G HN 0.178 nan 8.290 nan 0.000 0.499 471 D N 0.572 120.969 120.400 -0.005 0.000 2.283 471 D HA 0.522 5.161 4.640 -0.001 0.000 0.248 471 D C 0.796 177.086 176.300 -0.017 0.000 1.072 471 D CA 1.274 55.262 54.000 -0.020 0.000 0.929 471 D CB 1.314 42.092 40.800 -0.038 0.000 1.182 471 D HN 2.044 nan 8.370 nan 0.000 0.433 472 G N 1.356 110.142 108.800 -0.023 0.000 2.780 472 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.364 472 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.364 472 G C -0.768 174.106 174.900 -0.044 0.000 1.045 472 G CA -0.785 44.300 45.100 -0.025 0.000 1.202 472 G HN 0.418 nan 8.290 nan 0.000 0.534 473 N N -0.399 118.264 118.700 -0.062 0.000 2.381 473 N HA 0.881 5.620 4.740 -0.001 0.000 0.294 473 N C -0.188 175.194 175.510 -0.213 0.000 1.216 473 N CA -0.350 52.623 53.050 -0.128 0.000 0.803 473 N CB 2.191 40.648 38.487 -0.050 0.000 1.372 473 N HN 0.436 nan 8.380 nan 0.000 0.500 474 S N -0.651 114.757 115.700 -0.486 0.000 2.697 474 S HA 0.942 5.411 4.470 -0.001 0.000 0.289 474 S C -1.167 173.180 174.600 -0.421 0.000 1.149 474 S CA -0.687 57.210 58.200 -0.505 0.000 0.850 474 S CB 2.012 64.710 63.200 -0.837 0.000 1.151 474 S HN 0.706 nan 8.310 nan 0.000 0.491 475 A N 0.240 123.041 122.820 -0.032 0.000 2.469 475 A HA 0.999 5.319 4.320 -0.001 0.000 0.299 475 A C -1.081 176.478 177.584 -0.041 0.000 1.098 475 A CA -0.602 51.572 52.037 0.228 0.000 0.737 475 A CB 1.526 20.871 19.000 0.575 0.000 1.312 475 A HN 1.369 nan 8.150 nan 0.000 0.414 476 A N -0.269 122.485 122.820 -0.111 0.000 2.594 476 A HA 0.856 5.175 4.320 -0.001 0.000 0.295 476 A C -0.316 177.098 177.584 -0.284 0.000 1.071 476 A CA 0.037 51.766 52.037 -0.513 0.000 0.685 476 A CB 1.083 20.041 19.000 -0.069 0.000 1.285 476 A HN 2.437 nan 8.150 nan 0.000 0.405 477 A N 0.024 122.662 122.820 -0.303 0.000 2.310 477 A HA 0.593 4.912 4.320 -0.001 0.000 0.299 477 A C -0.287 177.209 177.584 -0.147 0.000 1.147 477 A CA -0.285 51.682 52.037 -0.116 0.000 0.818 477 A CB 0.068 19.122 19.000 0.090 0.000 1.096 477 A HN 1.215 nan 8.150 nan 0.000 0.495 478 C N 2.297 121.472 119.300 -0.209 0.000 2.319 478 C HA 0.608 5.068 4.460 -0.001 0.000 0.323 478 C C -0.836 174.049 174.990 -0.176 0.000 1.277 478 C CA -0.815 58.117 59.018 -0.144 0.000 1.517 478 C CB 0.336 28.019 27.740 -0.094 0.000 2.206 478 C HN 0.792 nan 8.230 nan 0.000 0.486 479 D N 2.278 122.588 120.400 -0.149 0.000 2.492 479 D HA 0.470 5.109 4.640 -0.001 0.000 0.248 479 D C -0.242 175.945 176.300 -0.189 0.000 1.101 479 D CA 0.127 54.026 54.000 -0.169 0.000 0.840 479 D CB 2.099 42.809 40.800 -0.149 0.000 1.209 479 D HN 0.687 nan 8.370 nan 0.000 0.524 480 A N 3.259 125.977 122.820 -0.170 0.000 2.454 480 A HA 0.339 4.659 4.320 -0.001 0.000 0.260 480 A C 0.189 177.632 177.584 -0.235 0.000 1.106 480 A CA 0.076 52.007 52.037 -0.177 0.000 0.780 480 A CB 0.372 19.280 19.000 -0.154 0.000 1.044 480 A HN 0.283 nan 8.150 nan 0.000 0.498 481 K N 2.074 122.274 120.400 -0.334 0.000 2.464 481 K HA 0.408 4.727 4.320 -0.001 0.000 0.253 481 K C -0.558 175.984 176.600 -0.097 0.000 0.933 481 K CA -0.537 55.570 56.287 -0.300 0.000 0.801 481 K CB 2.161 34.361 32.500 -0.501 0.000 1.271 481 K HN 0.647 nan 8.250 nan 0.000 0.430 482 S N 0.860 116.586 115.700 0.044 0.000 2.579 482 S HA 0.004 4.473 4.470 -0.001 0.000 0.275 482 S C 0.535 175.324 174.600 0.316 0.000 1.345 482 S CA -0.120 58.194 58.200 0.190 0.000 1.031 482 S CB 0.761 64.034 63.200 0.121 0.000 0.892 482 S HN 0.581 nan 8.310 nan 0.000 0.529 483 S N 2.780 118.699 115.700 0.365 0.000 2.558 483 S HA 0.055 4.524 4.470 -0.001 0.000 0.291 483 S C -1.083 173.650 174.600 0.222 0.000 1.306 483 S CA -1.055 57.347 58.200 0.336 0.000 1.056 483 S CB 0.288 63.650 63.200 0.270 0.000 0.836 483 S HN 0.568 nan 8.310 nan 0.000 0.504 484 P HA 0.010 nan 4.420 nan 0.000 0.233 484 P C -0.371 176.850 177.300 -0.132 0.000 1.167 484 P CA 0.552 63.631 63.100 -0.034 0.000 0.770 484 P CB -0.072 31.539 31.700 -0.148 0.000 0.837 485 Y N 2.618 122.942 120.300 0.040 0.000 2.359 485 Y HA 0.225 4.774 4.550 -0.001 0.000 0.330 485 Y C -1.412 174.506 175.900 0.030 0.000 1.143 485 Y CA -2.388 55.726 58.100 0.024 0.000 1.318 485 Y CB -0.274 38.192 38.460 0.010 0.000 1.234 485 Y HN 0.016 nan 8.280 nan 0.000 0.522 486 P HA 0.072 nan 4.420 nan 0.000 0.276 486 P C -0.710 176.641 177.300 0.085 0.000 1.244 486 P CA -0.595 62.561 63.100 0.093 0.000 0.801 486 P CB 1.127 32.863 31.700 0.060 0.000 1.006 487 L N 1.390 122.649 121.223 0.060 0.000 2.615 487 L HA 0.209 4.548 4.340 -0.001 0.000 0.284 487 L C 1.392 178.262 176.870 0.001 0.000 1.237 487 L CA 2.278 57.138 54.840 0.034 0.000 0.905 487 L CB -1.096 40.982 42.059 0.031 0.000 1.149 487 L HN 0.864 nan 8.230 nan 0.000 0.499 488 G N 2.136 110.909 108.800 -0.045 0.000 2.175 488 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.244 488 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.244 488 G C 0.260 175.129 174.900 -0.053 0.000 0.982 488 G CA 0.307 45.361 45.100 -0.076 0.000 0.641 488 G HN 1.201 nan 8.290 nan 0.000 0.527 489 S N 0.197 115.887 115.700 -0.016 0.000 2.601 489 S HA 0.635 5.104 4.470 -0.001 0.000 0.271 489 S C -0.880 173.690 174.600 -0.051 0.000 1.305 489 S CA -0.621 57.578 58.200 -0.002 0.000 1.022 489 S CB 2.231 65.477 63.200 0.076 0.000 0.940 489 S HN -0.030 nan 8.310 nan 0.000 0.525 490 P HA -0.077 nan 4.420 nan 0.000 0.218 490 P C 0.703 177.930 177.300 -0.122 0.000 1.146 490 P CA 1.174 64.222 63.100 -0.088 0.000 0.813 490 P CB 0.013 31.662 31.700 -0.086 0.000 0.778 491 E N -1.950 118.132 120.200 -0.195 0.000 2.371 491 E HA -0.010 4.339 4.350 -0.001 0.000 0.194 491 E C 0.711 177.236 176.600 -0.125 0.000 1.012 491 E CA 0.561 56.783 56.400 -0.296 0.000 0.860 491 E CB -0.251 28.957 29.700 -0.820 0.000 0.811 491 E HN 0.082 nan 8.360 nan 0.000 0.502 492 N N -0.387 118.292 118.700 -0.035 0.000 2.620 492 N HA 0.070 4.809 4.740 -0.001 0.000 0.277 492 N C 0.169 175.695 175.510 0.027 0.000 1.726 492 N CA -0.004 53.072 53.050 0.045 0.000 0.840 492 N CB 0.028 38.585 38.487 0.116 0.000 1.379 492 N HN -0.058 nan 8.380 nan 0.000 0.506 493 M N 0.268 119.856 119.600 -0.020 0.000 2.082 493 M HA -0.050 4.430 4.480 -0.001 0.000 0.258 493 M C 0.200 176.330 176.300 -0.283 0.000 1.069 493 M CA 2.051 57.236 55.300 -0.191 0.000 1.102 493 M CB -0.283 32.133 32.600 -0.307 0.000 1.336 493 M HN 0.367 nan 8.290 nan 0.000 0.404 494 Y N -0.783 119.531 120.300 0.025 0.000 2.485 494 Y HA 0.445 4.994 4.550 -0.001 0.000 0.260 494 Y C 1.473 177.400 175.900 0.044 0.000 1.173 494 Y CA 0.092 58.210 58.100 0.030 0.000 1.252 494 Y CB -0.176 38.299 38.460 0.025 0.000 1.123 494 Y HN 0.445 nan 8.280 nan 0.000 0.524 495 G N 1.357 110.250 108.800 0.155 0.000 2.153 495 G HA2 -0.379 3.581 3.960 -0.001 0.000 0.252 495 G HA3 -0.379 3.581 3.960 -0.001 0.000 0.252 495 G C 0.960 175.953 174.900 0.156 0.000 0.994 495 G CA 0.721 45.901 45.100 0.132 0.000 0.698 495 G HN 0.561 nan 8.290 nan 0.000 0.521 496 N N 0.158 118.964 118.700 0.176 0.000 2.325 496 N HA 0.377 5.116 4.740 -0.001 0.000 0.182 496 N C 1.076 176.725 175.510 0.230 0.000 1.088 496 N CA 0.759 53.923 53.050 0.191 0.000 0.879 496 N CB -0.045 38.535 38.487 0.154 0.000 0.983 496 N HN 1.035 nan 8.380 nan 0.000 0.471 497 A N 0.984 123.912 122.820 0.180 0.000 2.520 497 A HA 0.435 4.754 4.320 -0.001 0.000 0.245 497 A C -0.376 177.375 177.584 0.280 0.000 1.072 497 A CA -0.274 51.848 52.037 0.142 0.000 0.761 497 A CB -0.562 18.508 19.000 0.115 0.000 1.004 497 A HN 0.491 nan 8.150 nan 0.000 0.499 498 F N 0.765 120.805 119.950 0.149 0.000 2.668 498 F HA 0.784 5.310 4.527 -0.001 0.000 0.309 498 F C -1.014 174.926 175.800 0.233 0.000 1.117 498 F CA -1.369 56.738 58.000 0.178 0.000 0.951 498 F CB 1.129 40.166 39.000 0.063 0.000 1.323 498 F HN 0.769 nan 8.300 nan 0.000 0.451 499 Y N -0.662 119.791 120.300 0.256 0.000 2.689 499 Y HA 0.758 5.307 4.550 -0.001 0.000 0.333 499 Y C -1.457 174.544 175.900 0.169 0.000 1.190 499 Y CA -1.794 56.376 58.100 0.116 0.000 1.063 499 Y CB 1.056 39.543 38.460 0.045 0.000 1.294 499 Y HN 0.800 nan 8.280 nan 0.000 0.466 500 S N 0.912 116.656 115.700 0.072 0.000 2.438 500 S HA 0.272 4.741 4.470 -0.001 0.000 0.316 500 S C -0.898 173.700 174.600 -0.004 0.000 1.084 500 S CA -0.585 57.587 58.200 -0.046 0.000 1.107 500 S CB 0.154 63.373 63.200 0.030 0.000 0.981 500 S HN 0.722 nan 8.310 nan 0.000 0.466 501 E N 4.152 124.262 120.200 -0.150 0.000 2.152 501 E HA 0.208 4.557 4.350 -0.001 0.000 0.285 501 E C -0.496 176.101 176.600 -0.005 0.000 1.043 501 E CA -0.393 56.019 56.400 0.020 0.000 0.839 501 E CB 0.493 30.177 29.700 -0.026 0.000 1.069 501 E HN 0.509 nan 8.360 nan 0.000 0.399 502 K N 3.484 123.893 120.400 0.015 0.000 2.240 502 K HA 0.225 4.545 4.320 -0.001 0.000 0.271 502 K C -1.199 175.395 176.600 -0.011 0.000 1.018 502 K CA -0.408 55.856 56.287 -0.038 0.000 0.874 502 K CB 1.241 33.688 32.500 -0.089 0.000 1.098 502 K HN 0.377 nan 8.250 nan 0.000 0.458 503 T N 3.411 117.954 114.554 -0.017 0.000 2.853 503 T HA 0.145 4.494 4.350 -0.001 0.000 0.317 503 T C -0.535 174.144 174.700 -0.035 0.000 1.059 503 T CA -0.435 61.688 62.100 0.038 0.000 0.954 503 T CB 1.021 69.962 68.868 0.122 0.000 0.994 503 T HN 0.491 nan 8.240 nan 0.000 0.479 504 T N 4.454 119.025 114.554 0.028 0.000 2.851 504 T HA 0.294 4.643 4.350 -0.001 0.000 0.298 504 T C 0.060 174.856 174.700 0.160 0.000 0.977 504 T CA -0.219 61.914 62.100 0.055 0.000 1.126 504 T CB -0.078 68.911 68.868 0.201 0.000 0.916 504 T HN 0.251 nan 8.240 nan 0.000 0.529 505 F N 3.045 123.123 119.950 0.213 0.000 2.445 505 F HA 0.317 4.843 4.527 -0.001 0.000 0.359 505 F C 1.471 177.342 175.800 0.118 0.000 1.101 505 F CA -1.148 56.943 58.000 0.152 0.000 1.177 505 F CB 0.525 39.616 39.000 0.152 0.000 1.110 505 F HN 0.555 nan 8.300 nan 0.000 0.522 506 K N 0.659 121.229 120.400 0.284 0.000 2.168 506 K HA 0.059 4.378 4.320 -0.001 0.000 0.201 506 K C 0.729 177.412 176.600 0.138 0.000 1.049 506 K CA 0.984 57.377 56.287 0.177 0.000 0.974 506 K CB 0.200 32.781 32.500 0.135 0.000 0.792 506 K HN 0.713 nan 8.250 nan 0.000 0.463 507 T N -2.850 111.776 114.554 0.120 0.000 2.930 507 T HA 0.244 4.593 4.350 -0.001 0.000 0.290 507 T C 1.292 176.016 174.700 0.040 0.000 1.052 507 T CA -0.930 61.214 62.100 0.073 0.000 1.017 507 T CB 1.786 70.684 68.868 0.050 0.000 1.137 507 T HN -0.226 nan 8.240 nan 0.000 0.511 508 V N 1.337 121.261 119.914 0.017 0.000 2.278 508 V HA -0.210 3.909 4.120 -0.001 0.000 0.251 508 V C 2.866 178.899 176.094 -0.102 0.000 1.062 508 V CA 2.472 64.755 62.300 -0.028 0.000 1.038 508 V CB -0.920 30.901 31.823 -0.003 0.000 0.646 508 V HN 1.047 nan 8.190 nan 0.000 0.447 509 K N -0.146 120.211 120.400 -0.072 0.000 2.113 509 K HA -0.265 4.054 4.320 -0.001 0.000 0.208 509 K C 1.797 178.309 176.600 -0.146 0.000 1.047 509 K CA 2.030 58.258 56.287 -0.098 0.000 0.928 509 K CB -0.284 32.189 32.500 -0.044 0.000 0.716 509 K HN 0.505 nan 8.250 nan 0.000 0.446 510 D N -0.038 120.297 120.400 -0.108 0.000 2.218 510 D HA -0.129 4.510 4.640 -0.001 0.000 0.204 510 D C 1.887 177.884 176.300 -0.506 0.000 0.976 510 D CA 1.542 55.478 54.000 -0.106 0.000 0.853 510 D CB -0.083 40.782 40.800 0.109 0.000 0.939 510 D HN 0.376 nan 8.370 nan 0.000 0.481 511 S N -0.122 115.118 115.700 -0.766 0.000 2.496 511 S HA -0.006 4.463 4.470 -0.001 0.000 0.224 511 S C 1.163 175.291 174.600 -0.788 0.000 0.996 511 S CA -0.167 57.146 58.200 -1.479 0.000 0.927 511 S CB -0.366 62.330 63.200 -0.840 0.000 0.774 511 S HN 0.145 nan 8.310 nan 0.000 0.524 512 L N 3.777 124.685 121.223 -0.524 0.000 2.462 512 L HA 0.320 4.659 4.340 -0.001 0.000 0.283 512 L C 0.107 176.787 176.870 -0.317 0.000 1.166 512 L CA -0.236 54.259 54.840 -0.576 0.000 0.964 512 L CB -0.615 40.933 42.059 -0.852 0.000 1.294 512 L HN 0.361 nan 8.230 nan 0.000 0.449 513 T N -1.144 113.398 114.554 -0.020 0.000 2.903 513 T HA 0.522 4.871 4.350 -0.001 0.000 0.299 513 T C -0.390 174.594 174.700 0.474 0.000 1.093 513 T CA -1.089 61.186 62.100 0.291 0.000 1.002 513 T CB 2.367 71.522 68.868 0.479 0.000 1.127 513 T HN 0.198 nan 8.240 nan 0.000 0.488 514 N N 0.216 119.204 118.700 0.480 0.000 2.432 514 N HA 0.346 5.085 4.740 -0.001 0.000 0.292 514 N C -1.138 174.752 175.510 0.633 0.000 1.193 514 N CA -0.656 52.698 53.050 0.505 0.000 0.878 514 N CB 1.165 39.839 38.487 0.310 0.000 1.252 514 N HN 0.759 nan 8.380 nan 0.000 0.520 515 Y N 0.994 121.656 120.300 0.604 0.000 2.597 515 Y HA -0.004 4.545 4.550 -0.002 0.000 0.336 515 Y C -0.199 175.832 175.900 0.219 0.000 1.216 515 Y CA 0.604 58.989 58.100 0.476 0.000 1.463 515 Y CB 0.477 39.231 38.460 0.490 0.000 1.303 515 Y HN 0.292 nan 8.280 nan 0.000 0.576 516 E N 3.660 123.349 120.200 -0.852 0.000 2.255 516 E HA 0.129 4.478 4.350 -0.001 0.000 0.256 516 E C 0.422 176.520 176.600 -0.837 0.000 0.887 516 E CA 0.013 56.053 56.400 -0.600 0.000 0.782 516 E CB 1.604 31.131 29.700 -0.289 0.000 1.214 516 E HN 0.793 nan 8.360 nan 0.000 0.417 517 S N 1.602 116.982 115.700 -0.533 0.000 2.419 517 S HA -0.155 4.314 4.470 -0.001 0.000 0.233 517 S C 1.829 176.329 174.600 -0.166 0.000 1.016 517 S CA 0.941 58.994 58.200 -0.245 0.000 0.974 517 S CB -0.060 63.141 63.200 0.002 0.000 0.786 517 S HN 0.469 nan 8.310 nan 0.000 0.492 518 A N 1.792 124.517 122.820 -0.159 0.000 2.070 518 A HA 0.011 4.330 4.320 -0.001 0.000 0.220 518 A C 2.255 179.759 177.584 -0.132 0.000 1.159 518 A CA 1.727 53.696 52.037 -0.113 0.000 0.656 518 A CB -0.901 18.046 19.000 -0.087 0.000 0.800 518 A HN 0.794 nan 8.150 nan 0.000 0.453 519 T N -5.531 108.915 114.554 -0.179 0.000 3.091 519 T HA 0.430 4.779 4.350 -0.001 0.000 0.277 519 T C 1.052 175.648 174.700 -0.172 0.000 0.996 519 T CA 0.872 62.867 62.100 -0.175 0.000 0.897 519 T CB -0.072 68.689 68.868 -0.179 0.000 1.109 519 T HN 1.619 nan 8.240 nan 0.000 0.534 520 G N 2.811 111.512 108.800 -0.164 0.000 2.393 520 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.299 520 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.299 520 G C -0.003 174.869 174.900 -0.047 0.000 0.990 520 G CA 0.295 45.367 45.100 -0.047 0.000 1.118 520 G HN 0.920 nan 8.290 nan 0.000 0.513 521 R N 0.111 120.480 120.500 -0.217 0.000 2.538 521 R HA 0.371 4.710 4.340 -0.001 0.000 0.282 521 R C 0.949 177.110 176.300 -0.231 0.000 1.009 521 R CA 0.767 56.678 56.100 -0.316 0.000 1.063 521 R CB 0.257 30.235 30.300 -0.535 0.000 0.945 521 R HN 0.599 nan 8.270 nan 0.000 0.414 522 S N 3.912 119.425 115.700 -0.311 0.000 2.715 522 S HA 0.603 5.073 4.470 -0.001 0.000 0.307 522 S C -1.042 173.385 174.600 -0.290 0.000 1.119 522 S CA -1.003 57.101 58.200 -0.161 0.000 0.937 522 S CB 1.392 64.611 63.200 0.030 0.000 1.150 522 S HN 0.630 nan 8.310 nan 0.000 0.521 523 W N 0.436 121.842 121.300 0.176 0.000 2.819 523 W HA 0.422 5.081 4.660 -0.002 0.000 0.337 523 W C -1.374 175.236 176.519 0.152 0.000 1.077 523 W CA -0.482 56.999 57.345 0.226 0.000 1.226 523 W CB 2.095 31.822 29.460 0.445 0.000 1.419 523 W HN 0.615 nan 8.180 nan 0.000 0.502 524 D N 2.071 122.693 120.400 0.369 0.000 2.185 524 D HA 0.528 5.167 4.640 -0.001 0.000 0.247 524 D C -0.431 176.112 176.300 0.404 0.000 1.027 524 D CA -0.354 53.834 54.000 0.312 0.000 0.861 524 D CB 2.187 43.124 40.800 0.229 0.000 1.202 524 D HN 0.087 nan 8.370 nan 0.000 0.453 525 I N 2.789 123.546 120.570 0.312 0.000 2.389 525 I HA 0.437 4.607 4.170 -0.001 0.000 0.288 525 I C -0.586 175.740 176.117 0.349 0.000 0.999 525 I CA -0.915 60.542 61.300 0.262 0.000 1.129 525 I CB 0.556 38.616 38.000 0.100 0.000 1.288 525 I HN 0.226 nan 8.210 nan 0.000 0.444 526 F N 3.805 123.835 119.950 0.133 0.000 2.664 526 F HA 0.581 5.107 4.527 -0.001 0.000 0.317 526 F C -0.962 174.898 175.800 0.099 0.000 1.108 526 F CA -1.136 56.935 58.000 0.120 0.000 0.957 526 F CB 1.256 40.307 39.000 0.086 0.000 1.365 526 F HN 0.217 nan 8.300 nan 0.000 0.475 527 N N 2.563 121.405 118.700 0.236 0.000 2.546 527 N HA 0.373 5.112 4.740 -0.001 0.000 0.238 527 N C -2.150 173.475 175.510 0.191 0.000 0.984 527 N CA -2.602 50.508 53.050 0.099 0.000 0.935 527 N CB 1.583 40.123 38.487 0.088 0.000 1.122 527 N HN 0.428 nan 8.380 nan 0.000 0.510 528 P HA 0.016 nan 4.420 nan 0.000 0.242 528 P C 0.129 177.496 177.300 0.113 0.000 1.197 528 P CA 0.600 63.835 63.100 0.225 0.000 0.765 528 P CB 0.500 32.301 31.700 0.168 0.000 0.936 529 N N -0.081 118.658 118.700 0.065 0.000 2.336 529 N HA 0.061 4.800 4.740 -0.001 0.000 0.189 529 N C 0.550 176.074 175.510 0.023 0.000 1.113 529 N CA 0.501 53.572 53.050 0.035 0.000 0.858 529 N CB 0.563 39.059 38.487 0.016 0.000 0.970 529 N HN 0.347 nan 8.380 nan 0.000 0.471 530 K N 0.135 120.554 120.400 0.032 0.000 2.400 530 K HA 0.572 4.891 4.320 -0.001 0.000 0.246 530 K C -1.306 175.296 176.600 0.003 0.000 0.995 530 K CA -0.676 55.611 56.287 -0.000 0.000 0.840 530 K CB 3.315 35.798 32.500 -0.028 0.000 1.293 530 K HN -0.294 nan 8.250 nan 0.000 0.445 531 V N 1.410 121.309 119.914 -0.025 0.000 2.808 531 V HA 0.247 4.366 4.120 -0.001 0.000 0.308 531 V C -1.273 174.794 176.094 -0.045 0.000 1.099 531 V CA -0.881 61.403 62.300 -0.026 0.000 0.920 531 V CB 2.015 33.827 31.823 -0.018 0.000 1.014 531 V HN 0.781 nan 8.190 nan 0.000 0.425 532 N N 7.584 126.265 118.700 -0.031 0.000 2.475 532 N HA 0.231 4.971 4.740 -0.001 0.000 0.267 532 N C -1.685 173.812 175.510 -0.021 0.000 1.169 532 N CA -1.139 51.892 53.050 -0.031 0.000 0.947 532 N CB 2.016 40.536 38.487 0.055 0.000 1.061 532 N HN 0.480 nan 8.380 nan 0.000 0.466 533 P HA -0.090 nan 4.420 nan 0.000 0.226 533 P C 0.556 177.931 177.300 0.124 0.000 1.153 533 P CA 1.070 64.148 63.100 -0.037 0.000 0.777 533 P CB 0.187 31.808 31.700 -0.132 0.000 0.794 534 Y N 1.291 121.598 120.300 0.012 0.000 2.190 534 Y HA -0.025 4.524 4.550 -0.001 0.000 0.290 534 Y C 2.879 178.795 175.900 0.026 0.000 1.115 534 Y CA 1.062 59.172 58.100 0.016 0.000 1.107 534 Y CB -1.439 37.031 38.460 0.018 0.000 1.033 534 Y HN 0.054 nan 8.280 nan 0.000 0.502 535 S N -1.027 114.814 115.700 0.235 0.000 2.496 535 S HA 0.185 4.654 4.470 -0.001 0.000 0.224 535 S C 1.883 176.522 174.600 0.066 0.000 0.996 535 S CA 0.670 58.971 58.200 0.168 0.000 0.927 535 S CB -0.363 63.024 63.200 0.312 0.000 0.774 535 S HN 0.661 nan 8.310 nan 0.000 0.524 536 G N 1.037 109.864 108.800 0.044 0.000 2.162 536 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.260 536 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.260 536 G C -0.015 174.845 174.900 -0.067 0.000 0.976 536 G CA 0.449 45.544 45.100 -0.008 0.000 0.655 536 G HN 0.517 nan 8.290 nan 0.000 0.533 537 K N 0.834 121.158 120.400 -0.127 0.000 2.098 537 K HA 0.538 4.857 4.320 -0.001 0.000 0.258 537 K C -2.283 174.223 176.600 -0.156 0.000 0.973 537 K CA -2.327 53.802 56.287 -0.264 0.000 0.898 537 K CB 1.471 33.543 32.500 -0.713 0.000 1.057 537 K HN 0.116 nan 8.250 nan 0.000 0.447 538 P HA 0.133 nan 4.420 nan 0.000 0.272 538 P C -2.500 174.838 177.300 0.065 0.000 1.223 538 P CA -1.306 61.799 63.100 0.010 0.000 0.784 538 P CB -0.347 31.432 31.700 0.131 0.000 0.923 539 P HA 0.056 nan 4.420 nan 0.000 0.271 539 P C -0.313 177.172 177.300 0.308 0.000 1.216 539 P CA 0.371 63.559 63.100 0.147 0.000 0.776 539 P CB 0.499 32.172 31.700 -0.044 0.000 0.881 540 S N 1.986 117.898 115.700 0.353 0.000 2.579 540 S HA 0.555 5.025 4.470 -0.001 0.000 0.272 540 S C -1.588 173.169 174.600 0.262 0.000 1.141 540 S CA -0.743 57.665 58.200 0.346 0.000 0.843 540 S CB 1.034 64.395 63.200 0.268 0.000 1.122 540 S HN 0.315 nan 8.310 nan 0.000 0.468 541 Y N 0.924 121.269 120.300 0.075 0.000 2.341 541 Y HA 0.558 5.108 4.550 -0.001 0.000 0.337 541 Y C 0.346 176.287 175.900 0.068 0.000 1.014 541 Y CA -0.512 57.593 58.100 0.007 0.000 1.111 541 Y CB 1.788 40.215 38.460 -0.055 0.000 1.194 541 Y HN 0.762 nan 8.280 nan 0.000 0.462 542 K N 4.252 124.704 120.400 0.087 0.000 2.206 542 K HA 0.396 4.715 4.320 -0.001 0.000 0.264 542 K C -1.489 175.171 176.600 0.099 0.000 0.967 542 K CA -0.943 55.408 56.287 0.105 0.000 0.844 542 K CB 0.958 33.497 32.500 0.065 0.000 1.099 542 K HN 0.602 nan 8.250 nan 0.000 0.441 543 L N 5.706 127.002 121.223 0.122 0.000 2.315 543 L HA 0.252 4.591 4.340 -0.001 0.000 0.283 543 L C -1.337 175.630 176.870 0.163 0.000 1.089 543 L CA -0.029 54.860 54.840 0.081 0.000 0.833 543 L CB 1.120 43.183 42.059 0.006 0.000 1.170 543 L HN 0.344 nan 8.230 nan 0.000 0.442 544 V N 4.947 124.907 119.914 0.078 0.000 2.313 544 V HA 0.592 4.712 4.120 -0.001 0.000 0.278 544 V C -0.032 176.084 176.094 0.037 0.000 1.017 544 V CA -0.241 62.106 62.300 0.078 0.000 0.823 544 V CB 0.864 32.709 31.823 0.037 0.000 1.010 544 V HN 0.844 nan 8.190 nan 0.000 0.443 545 S N 2.883 118.632 115.700 0.081 0.000 2.689 545 S HA 0.451 4.920 4.470 -0.001 0.000 0.274 545 S C 0.469 175.012 174.600 -0.096 0.000 1.176 545 S CA 0.211 58.441 58.200 0.050 0.000 1.014 545 S CB 1.763 65.066 63.200 0.170 0.000 1.071 545 S HN 0.924 nan 8.310 nan 0.000 0.478 546 T N 1.401 115.826 114.554 -0.214 0.000 3.003 546 T HA 0.292 4.641 4.350 -0.001 0.000 0.261 546 T C 0.353 174.912 174.700 -0.234 0.000 1.003 546 T CA -0.072 61.705 62.100 -0.539 0.000 0.917 546 T CB -0.107 68.549 68.868 -0.352 0.000 1.084 546 T HN 0.571 nan 8.240 nan 0.000 0.522 547 Q N 1.104 120.887 119.800 -0.029 0.000 2.844 547 Q HA 0.367 4.706 4.340 -0.001 0.000 0.235 547 Q C -0.939 175.167 176.000 0.176 0.000 1.336 547 Q CA -0.480 55.375 55.803 0.086 0.000 1.026 547 Q CB -0.288 28.521 28.738 0.119 0.000 1.513 547 Q HN 0.446 nan 8.270 nan 0.000 0.577 548 C N 2.944 122.338 119.300 0.157 0.000 3.003 548 C HA 0.360 4.819 4.460 -0.001 0.000 0.241 548 C C -2.140 172.982 174.990 0.221 0.000 1.224 548 C CA -1.826 57.330 59.018 0.230 0.000 1.560 548 C CB -0.445 27.504 27.740 0.348 0.000 1.768 548 C HN 0.554 nan 8.230 nan 0.000 0.440 549 P HA 0.291 nan 4.420 nan 0.000 0.274 549 P C -2.203 175.160 177.300 0.104 0.000 1.231 549 P CA -0.779 62.397 63.100 0.127 0.000 0.790 549 P CB 0.120 31.870 31.700 0.083 0.000 0.951 550 P HA 0.114 nan 4.420 nan 0.000 0.274 550 P C -0.696 176.598 177.300 -0.010 0.000 1.237 550 P CA -0.397 62.729 63.100 0.043 0.000 0.793 550 P CB 0.575 32.301 31.700 0.043 0.000 0.977 551 L N 2.525 123.710 121.223 -0.064 0.000 2.433 551 L HA 0.063 4.403 4.340 -0.001 0.000 0.275 551 L C 1.206 178.025 176.870 -0.086 0.000 1.128 551 L CA 0.344 55.118 54.840 -0.110 0.000 0.875 551 L CB -0.557 41.393 42.059 -0.182 0.000 1.171 551 L HN 0.329 nan 8.230 nan 0.000 0.463 552 L N 4.700 125.881 121.223 -0.070 0.000 2.179 552 L HA 0.139 4.478 4.340 -0.001 0.000 0.208 552 L C 1.412 178.245 176.870 -0.062 0.000 1.096 552 L CA 0.446 55.263 54.840 -0.039 0.000 0.779 552 L CB -0.443 41.613 42.059 -0.004 0.000 0.922 552 L HN 0.827 nan 8.230 nan 0.000 0.443 553 A N 0.988 123.747 122.820 -0.101 0.000 2.498 553 A HA 0.118 4.437 4.320 -0.001 0.000 0.239 553 A C 0.236 177.746 177.584 -0.123 0.000 1.068 553 A CA -0.103 51.861 52.037 -0.123 0.000 0.766 553 A CB 0.119 19.019 19.000 -0.167 0.000 1.003 553 A HN 0.064 nan 8.150 nan 0.000 0.497 554 K N 1.925 122.257 120.400 -0.114 0.000 2.219 554 K HA 0.101 4.420 4.320 -0.001 0.000 0.258 554 K C 0.098 176.625 176.600 -0.121 0.000 1.008 554 K CA -0.053 56.174 56.287 -0.101 0.000 0.928 554 K CB 0.432 32.880 32.500 -0.086 0.000 0.983 554 K HN 0.782 nan 8.250 nan 0.000 0.484 555 E N -0.173 119.963 120.200 -0.108 0.000 2.452 555 E HA 0.005 4.354 4.350 -0.001 0.000 0.261 555 E C 0.852 177.383 176.600 -0.115 0.000 0.987 555 E CA 0.908 57.240 56.400 -0.114 0.000 0.926 555 E CB 0.081 29.728 29.700 -0.089 0.000 0.934 555 E HN 0.813 nan 8.360 nan 0.000 0.452 556 G N 2.621 111.340 108.800 -0.135 0.000 2.179 556 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.260 556 G HA3 -0.347 3.612 3.960 -0.001 0.000 0.260 556 G C 0.387 175.191 174.900 -0.159 0.000 0.977 556 G CA 0.381 45.398 45.100 -0.138 0.000 0.641 556 G HN 0.699 nan 8.290 nan 0.000 0.533 557 S N -0.160 115.438 115.700 -0.171 0.000 2.593 557 S HA 0.551 5.020 4.470 -0.001 0.000 0.269 557 S C 1.562 176.014 174.600 -0.247 0.000 1.334 557 S CA 0.138 58.224 58.200 -0.189 0.000 1.015 557 S CB 1.610 64.698 63.200 -0.188 0.000 0.912 557 S HN 1.090 nan 8.310 nan 0.000 0.541 558 L N 2.690 123.759 121.223 -0.255 0.000 2.013 558 L HA -0.093 4.246 4.340 -0.001 0.000 0.212 558 L C 2.405 179.018 176.870 -0.429 0.000 1.073 558 L CA 1.769 56.415 54.840 -0.323 0.000 0.753 558 L CB -1.135 40.775 42.059 -0.248 0.000 0.890 558 L HN 0.731 nan 8.230 nan 0.000 0.432 559 V N -0.019 119.611 119.914 -0.473 0.000 2.255 559 V HA -0.332 3.787 4.120 -0.001 0.000 0.247 559 V C 2.775 178.656 176.094 -0.356 0.000 1.051 559 V CA 1.869 63.899 62.300 -0.449 0.000 1.018 559 V CB -1.420 30.184 31.823 -0.364 0.000 0.641 559 V HN 0.632 nan 8.190 nan 0.000 0.445 560 A N -0.587 122.044 122.820 -0.316 0.000 1.972 560 A HA -0.214 4.105 4.320 -0.001 0.000 0.219 560 A C 2.272 179.670 177.584 -0.310 0.000 1.169 560 A CA 1.862 53.717 52.037 -0.302 0.000 0.635 560 A CB -0.380 18.474 19.000 -0.243 0.000 0.810 560 A HN 0.580 nan 8.150 nan 0.000 0.446 561 K N -0.695 119.504 120.400 -0.335 0.000 2.062 561 K HA -0.018 4.302 4.320 -0.001 0.000 0.205 561 K C 2.125 178.427 176.600 -0.496 0.000 1.051 561 K CA 1.166 57.218 56.287 -0.392 0.000 0.941 561 K CB -0.111 32.121 32.500 -0.448 0.000 0.719 561 K HN 0.348 nan 8.250 nan 0.000 0.440 562 R N 0.041 120.262 120.500 -0.466 0.000 2.236 562 R HA 0.087 4.426 4.340 -0.001 0.000 0.208 562 R C 0.410 176.680 176.300 -0.051 0.000 1.036 562 R CA 0.595 56.486 56.100 -0.348 0.000 1.001 562 R CB 0.391 30.585 30.300 -0.176 0.000 0.896 562 R HN 0.005 nan 8.270 nan 0.000 0.464 563 A N 1.375 124.044 122.820 -0.252 0.000 3.204 563 A HA 0.294 4.614 4.320 -0.001 0.000 0.327 563 A C -2.029 175.131 177.584 -0.706 0.000 0.998 563 A CA -1.231 50.481 52.037 -0.543 0.000 0.891 563 A CB 0.554 19.071 19.000 -0.804 0.000 1.061 563 A HN -0.075 nan 8.150 nan 0.000 0.478 564 P HA -0.176 nan 4.420 nan 0.000 0.219 564 P C 1.464 178.657 177.300 -0.178 0.000 1.146 564 P CA 1.121 64.098 63.100 -0.205 0.000 0.808 564 P CB -0.234 31.428 31.700 -0.063 0.000 0.779 565 W N 0.245 121.497 121.300 -0.081 0.000 2.465 565 W HA 0.178 4.837 4.660 -0.001 0.000 0.268 565 W C 1.483 177.996 176.519 -0.009 0.000 1.242 565 W CA 0.698 58.009 57.345 -0.057 0.000 1.248 565 W CB -1.741 27.668 29.460 -0.086 0.000 1.118 565 W HN -0.077 nan 8.180 nan 0.000 0.587 566 A N 1.466 123.873 122.820 -0.688 0.000 2.169 566 A HA -0.048 4.271 4.320 -0.001 0.000 0.212 566 A C 2.111 179.524 177.584 -0.286 0.000 1.153 566 A CA 1.357 53.035 52.037 -0.598 0.000 0.756 566 A CB -0.827 17.514 19.000 -1.099 0.000 0.813 566 A HN 0.303 nan 8.150 nan 0.000 0.471 567 S N -0.916 114.623 115.700 -0.269 0.000 2.522 567 S HA 0.065 4.534 4.470 -0.001 0.000 0.227 567 S C 0.375 174.711 174.600 -0.440 0.000 0.986 567 S CA 0.131 58.138 58.200 -0.322 0.000 0.929 567 S CB -0.372 62.616 63.200 -0.354 0.000 0.769 567 S HN 0.665 nan 8.310 nan 0.000 0.529 568 H N -0.363 118.707 119.070 -0.000 0.000 2.690 568 H HA 0.537 5.092 4.556 -0.001 0.000 0.368 568 H C 0.552 175.936 175.328 0.093 0.000 1.150 568 H CA -0.438 55.643 56.048 0.054 0.000 1.174 568 H CB 1.872 31.654 29.762 0.032 0.000 1.684 568 H HN -0.036 nan 8.280 nan 0.000 0.538 569 S N 0.575 116.439 115.700 0.275 0.000 2.402 569 S HA 0.017 4.486 4.470 -0.001 0.000 0.229 569 S C 0.452 175.119 174.600 0.111 0.000 1.021 569 S CA 0.566 58.899 58.200 0.221 0.000 0.974 569 S CB 0.335 63.769 63.200 0.390 0.000 0.800 569 S HN 0.240 nan 8.310 nan 0.000 0.484 570 V N 2.624 122.543 119.914 0.007 0.000 2.709 570 V HA 0.428 4.547 4.120 -0.001 0.000 0.308 570 V C -1.103 174.873 176.094 -0.197 0.000 1.062 570 V CA -0.957 61.181 62.300 -0.269 0.000 0.901 570 V CB 2.055 33.437 31.823 -0.735 0.000 1.003 570 V HN 0.264 nan 8.190 nan 0.000 0.425 571 N N 3.137 121.716 118.700 -0.201 0.000 2.410 571 N HA 0.575 5.315 4.740 -0.001 0.000 0.287 571 N C -1.448 173.991 175.510 -0.118 0.000 1.044 571 N CA -0.311 52.668 53.050 -0.119 0.000 0.881 571 N CB 2.745 41.259 38.487 0.044 0.000 1.405 571 N HN 0.339 nan 8.380 nan 0.000 0.490 572 V N 1.977 121.812 119.914 -0.132 0.000 2.487 572 V HA 0.538 4.657 4.120 -0.001 0.000 0.298 572 V C 0.205 176.344 176.094 0.075 0.000 1.028 572 V CA -0.782 61.519 62.300 0.002 0.000 0.860 572 V CB 1.673 33.525 31.823 0.049 0.000 0.991 572 V HN 0.486 nan 8.190 nan 0.000 0.427 573 V N 3.119 123.124 119.914 0.150 0.000 3.040 573 V HA 0.784 4.903 4.120 -0.001 0.000 0.312 573 V C -2.944 173.209 176.094 0.099 0.000 1.115 573 V CA -3.064 59.310 62.300 0.124 0.000 0.998 573 V CB 2.172 34.097 31.823 0.169 0.000 1.042 573 V HN 0.625 nan 8.190 nan 0.000 0.433 574 P HA 0.154 nan 4.420 nan 0.000 0.269 574 P C -1.164 176.133 177.300 -0.005 0.000 1.209 574 P CA 0.203 63.331 63.100 0.047 0.000 0.776 574 P CB 0.030 31.745 31.700 0.026 0.000 0.876 575 Y N 3.609 123.876 120.300 -0.056 0.000 2.526 575 Y HA 0.162 4.711 4.550 -0.001 0.000 0.330 575 Y C 0.240 176.063 175.900 -0.129 0.000 1.156 575 Y CA 0.785 58.822 58.100 -0.105 0.000 1.419 575 Y CB 0.337 38.749 38.460 -0.080 0.000 1.250 575 Y HN 0.231 nan 8.280 nan 0.000 0.540 576 K N 4.420 124.178 120.400 -1.070 0.000 2.482 576 K HA 0.230 4.549 4.320 -0.001 0.000 0.257 576 K C -1.380 174.517 176.600 -1.171 0.000 0.969 576 K CA -1.192 54.589 56.287 -0.843 0.000 0.842 576 K CB 1.530 33.764 32.500 -0.444 0.000 1.359 576 K HN 0.607 nan 8.250 nan 0.000 0.441 577 D N 1.968 122.030 120.400 -0.563 0.000 2.423 577 D HA -0.008 4.631 4.640 -0.001 0.000 0.238 577 D C 0.251 176.345 176.300 -0.343 0.000 1.142 577 D CA 0.835 54.644 54.000 -0.318 0.000 0.884 577 D CB 0.284 41.037 40.800 -0.077 0.000 1.199 577 D HN 0.500 nan 8.370 nan 0.000 0.438 578 N N 1.176 119.707 118.700 -0.283 0.000 2.747 578 N HA -0.232 4.508 4.740 -0.001 0.000 0.249 578 N C -0.483 174.827 175.510 -0.332 0.000 1.107 578 N CA 0.469 53.358 53.050 -0.268 0.000 0.707 578 N CB -0.869 37.506 38.487 -0.187 0.000 1.054 578 N HN 0.458 nan 8.380 nan 0.000 0.555 579 R N 0.712 120.890 120.500 -0.536 0.000 3.785 579 R HA 0.330 4.669 4.340 -0.001 0.000 0.255 579 R C 1.288 177.233 176.300 -0.592 0.000 1.485 579 R CA -0.198 55.382 56.100 -0.867 0.000 1.555 579 R CB 0.277 29.703 30.300 -1.456 0.000 1.362 579 R HN 0.216 nan 8.270 nan 0.000 0.702 580 L N 0.121 121.116 121.223 -0.380 0.000 2.269 580 L HA 0.157 4.496 4.340 -0.001 0.000 0.200 580 L C -0.108 176.631 176.870 -0.219 0.000 1.069 580 L CA 0.710 55.231 54.840 -0.532 0.000 0.804 580 L CB 0.235 41.522 42.059 -1.287 0.000 0.987 580 L HN 0.293 nan 8.230 nan 0.000 0.468 581 Y N 0.496 120.969 120.300 0.289 0.000 2.402 581 Y HA 0.292 4.841 4.550 -0.001 0.000 0.332 581 Y C -1.712 174.201 175.900 0.020 0.000 0.960 581 Y CA -3.342 54.822 58.100 0.107 0.000 1.228 581 Y CB 0.241 38.674 38.460 -0.044 0.000 1.120 581 Y HN -0.067 nan 8.280 nan 0.000 0.491 582 P HA 0.004 nan 4.420 nan 0.000 0.241 582 P C 0.505 177.685 177.300 -0.199 0.000 1.191 582 P CA 0.708 63.542 63.100 -0.444 0.000 0.771 582 P CB 0.584 31.962 31.700 -0.538 0.000 0.929 583 S N -0.611 115.095 115.700 0.011 0.000 2.582 583 S HA 0.489 4.958 4.470 -0.001 0.000 0.234 583 S C 0.852 175.360 174.600 -0.152 0.000 0.961 583 S CA 0.299 58.588 58.200 0.148 0.000 0.953 583 S CB -0.207 63.225 63.200 0.387 0.000 0.800 583 S HN 0.486 nan 8.310 nan 0.000 0.471 584 G N 1.386 110.028 108.800 -0.264 0.000 2.662 584 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.686 584 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.686 584 G C -0.416 174.380 174.900 -0.173 0.000 1.271 584 G CA -0.471 44.425 45.100 -0.340 0.000 0.816 584 G HN 0.184 nan 8.290 nan 0.000 0.608 585 D N -0.049 120.231 120.400 -0.199 0.000 2.149 585 D HA 0.032 4.671 4.640 -0.001 0.000 0.201 585 D C 0.817 176.797 176.300 -0.533 0.000 0.972 585 D CA 1.454 55.279 54.000 -0.291 0.000 0.835 585 D CB 0.002 40.593 40.800 -0.347 0.000 0.966 585 D HN 0.492 nan 8.370 nan 0.000 0.476 586 H N 0.139 119.174 119.070 -0.059 0.000 2.792 586 H HA 0.260 4.815 4.556 -0.001 0.000 0.298 586 H C 0.822 176.131 175.328 -0.032 0.000 1.042 586 H CA -0.309 55.721 56.048 -0.030 0.000 1.300 586 H CB 1.763 31.519 29.762 -0.010 0.000 1.431 586 H HN -0.211 nan 8.280 nan 0.000 0.496 587 V N 3.996 123.951 119.914 0.068 0.000 2.426 587 V HA 0.005 4.125 4.120 -0.001 0.000 0.242 587 V C -1.670 174.527 176.094 0.171 0.000 1.036 587 V CA 0.410 62.774 62.300 0.106 0.000 1.044 587 V CB -0.802 31.053 31.823 0.054 0.000 0.688 587 V HN 0.458 nan 8.190 nan 0.000 0.462 588 P HA 0.052 nan 4.420 nan 0.000 0.262 588 P C 0.240 177.653 177.300 0.189 0.000 1.182 588 P CA 0.788 63.948 63.100 0.100 0.000 0.761 588 P CB 0.131 31.849 31.700 0.031 0.000 0.795 589 Q N -1.659 118.285 119.800 0.239 0.000 2.362 589 Q HA -0.235 4.104 4.340 -0.001 0.000 0.220 589 Q C -0.266 176.004 176.000 0.451 0.000 0.713 589 Q CA 0.551 56.559 55.803 0.342 0.000 1.345 589 Q CB -1.893 26.986 28.738 0.235 0.000 1.570 589 Q HN 0.527 nan 8.270 nan 0.000 0.701 590 W N 2.229 123.615 121.300 0.143 0.000 2.308 590 W HA 0.241 4.901 4.660 -0.001 0.000 0.324 590 W C 1.266 177.694 176.519 -0.153 0.000 1.387 590 W CA 0.197 57.563 57.345 0.035 0.000 1.250 590 W CB 0.504 29.968 29.460 0.006 0.000 1.257 590 W HN 0.151 nan 8.180 nan 0.000 0.554 591 S N 3.622 118.894 115.700 -0.712 0.000 2.507 591 S HA 0.074 4.544 4.470 -0.001 0.000 0.235 591 S C 1.639 175.437 174.600 -1.336 0.000 0.988 591 S CA 0.810 58.160 58.200 -1.418 0.000 0.944 591 S CB -0.450 62.169 63.200 -0.968 0.000 0.762 591 S HN 1.699 nan 8.310 nan 0.000 0.526 592 G N 0.767 108.266 108.800 -2.170 0.000 2.176 592 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.253 592 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.253 592 G C -0.442 173.796 174.900 -1.103 0.000 0.979 592 G CA 0.139 43.982 45.100 -2.095 0.000 0.641 592 G HN 0.584 nan 8.290 nan 0.000 0.530 593 D N 1.199 121.188 120.400 -0.685 0.000 2.249 593 D HA 0.553 5.192 4.640 -0.001 0.000 0.246 593 D C 0.708 177.136 176.300 0.212 0.000 1.114 593 D CA 1.424 55.324 54.000 -0.166 0.000 0.854 593 D CB 1.296 42.020 40.800 -0.126 0.000 1.132 593 D HN 1.338 nan 8.370 nan 0.000 0.461 594 G N 0.239 109.162 108.800 0.205 0.000 2.375 594 G HA2 -0.062 3.897 3.960 -0.001 0.000 0.663 594 G HA3 -0.062 3.897 3.960 -0.001 0.000 0.663 594 G C -1.024 173.983 174.900 0.177 0.000 1.391 594 G CA -0.993 44.240 45.100 0.222 0.000 0.949 594 G HN 0.314 nan 8.290 nan 0.000 0.646 595 V N 2.233 122.186 119.914 0.064 0.000 2.267 595 V HA 0.591 4.710 4.120 -0.001 0.000 0.254 595 V C 0.811 176.862 176.094 -0.071 0.000 1.144 595 V CA 0.533 62.834 62.300 0.002 0.000 0.992 595 V CB -0.455 31.367 31.823 -0.001 0.000 1.199 595 V HN 0.987 nan 8.190 nan 0.000 0.493 596 R N 2.605 123.014 120.500 -0.152 0.000 2.781 596 R HA 0.840 5.179 4.340 -0.001 0.000 0.269 596 R C 0.447 176.448 176.300 -0.498 0.000 1.025 596 R CA -0.086 55.824 56.100 -0.317 0.000 0.914 596 R CB 1.343 31.371 30.300 -0.453 0.000 1.236 596 R HN 0.738 nan 8.270 nan 0.000 0.465 597 G N 1.287 109.685 108.800 -0.671 0.000 2.582 597 G HA2 -0.428 3.531 3.960 -0.001 0.000 0.288 597 G HA3 -0.428 3.531 3.960 -0.001 0.000 0.288 597 G C 0.530 174.324 174.900 -1.843 0.000 1.247 597 G CA 0.784 45.178 45.100 -1.177 0.000 0.972 597 G HN 0.773 nan 8.290 nan 0.000 0.557 598 M N 0.437 119.196 119.600 -1.402 0.000 2.202 598 M HA -0.015 4.464 4.480 -0.001 0.000 0.262 598 M C 2.387 178.411 176.300 -0.460 0.000 1.063 598 M CA 2.786 57.550 55.300 -0.892 0.000 1.097 598 M CB -0.526 31.843 32.600 -0.386 0.000 1.382 598 M HN 0.622 nan 8.290 nan 0.000 0.413 599 R N -0.411 119.884 120.500 -0.342 0.000 2.081 599 R HA -0.187 4.153 4.340 -0.001 0.000 0.235 599 R C 2.238 178.446 176.300 -0.152 0.000 1.131 599 R CA 1.927 57.930 56.100 -0.162 0.000 0.960 599 R CB -0.361 29.902 30.300 -0.062 0.000 0.856 599 R HN 0.665 nan 8.270 nan 0.000 0.436 600 E N -0.469 119.579 120.200 -0.253 0.000 2.072 600 E HA -0.188 4.162 4.350 -0.001 0.000 0.191 600 E C 1.397 178.028 176.600 0.051 0.000 0.985 600 E CA 1.226 57.560 56.400 -0.111 0.000 0.801 600 E CB -0.074 29.556 29.700 -0.117 0.000 0.750 600 E HN 0.416 nan 8.360 nan 0.000 0.452 601 W N 0.558 121.811 121.300 -0.078 0.000 2.388 601 W HA -0.018 4.642 4.660 -0.001 0.000 0.294 601 W C 2.093 178.575 176.519 -0.061 0.000 1.212 601 W CA 0.194 57.490 57.345 -0.082 0.000 1.271 601 W CB -0.883 28.505 29.460 -0.120 0.000 1.126 601 W HN 0.159 nan 8.180 nan 0.000 0.535 602 I N 0.098 120.736 120.570 0.115 0.000 2.315 602 I HA -0.084 4.085 4.170 -0.001 0.000 0.248 602 I C 2.142 178.281 176.117 0.036 0.000 1.117 602 I CA 1.382 62.711 61.300 0.049 0.000 1.404 602 I CB -1.087 36.910 38.000 -0.004 0.000 1.071 602 I HN 0.082 nan 8.210 nan 0.000 0.419 603 G N 2.317 111.134 108.800 0.029 0.000 2.611 603 G HA2 -0.432 3.527 3.960 -0.001 0.000 0.301 603 G HA3 -0.432 3.527 3.960 -0.001 0.000 0.301 603 G C 0.510 175.416 174.900 0.011 0.000 1.233 603 G CA 0.705 45.819 45.100 0.023 0.000 0.993 603 G HN 0.533 nan 8.290 nan 0.000 0.553 604 D N 1.257 121.665 120.400 0.013 0.000 2.328 604 D HA 0.374 5.014 4.640 -0.001 0.000 0.226 604 D C 1.817 178.120 176.300 0.005 0.000 1.066 604 D CA 1.196 55.201 54.000 0.008 0.000 0.861 604 D CB -0.434 40.371 40.800 0.010 0.000 0.912 604 D HN 2.185 nan 8.370 nan 0.000 0.521 605 G N 0.250 109.053 108.800 0.005 0.000 2.184 605 G HA2 -0.369 3.590 3.960 -0.001 0.000 0.264 605 G HA3 -0.369 3.590 3.960 -0.001 0.000 0.264 605 G C 1.133 176.037 174.900 0.007 0.000 0.975 605 G CA 0.877 45.975 45.100 -0.003 0.000 0.642 605 G HN 0.722 nan 8.290 nan 0.000 0.536 606 S N -0.537 115.172 115.700 0.016 0.000 2.524 606 S HA 0.312 4.781 4.470 -0.001 0.000 0.216 606 S C 0.659 175.276 174.600 0.030 0.000 0.987 606 S CA 0.709 58.922 58.200 0.022 0.000 0.909 606 S CB 0.359 63.572 63.200 0.021 0.000 0.781 606 S HN 0.618 nan 8.310 nan 0.000 0.521 607 E N 2.373 122.592 120.200 0.031 0.000 2.398 607 E HA 0.174 4.523 4.350 -0.001 0.000 0.263 607 E C -0.262 176.366 176.600 0.046 0.000 1.046 607 E CA -0.372 56.050 56.400 0.037 0.000 0.908 607 E CB 0.260 29.983 29.700 0.038 0.000 0.963 607 E HN 0.400 nan 8.360 nan 0.000 0.431 608 N N 2.362 121.091 118.700 0.047 0.000 2.492 608 N HA 0.012 4.751 4.740 -0.001 0.000 0.262 608 N C -0.023 175.526 175.510 0.066 0.000 1.202 608 N CA 0.247 53.331 53.050 0.057 0.000 0.926 608 N CB 0.387 38.904 38.487 0.050 0.000 1.078 608 N HN 0.538 nan 8.380 nan 0.000 0.454 609 I N -1.739 118.882 120.570 0.086 0.000 3.994 609 I HA 0.423 4.592 4.170 -0.001 0.000 0.323 609 I C -0.405 175.767 176.117 0.092 0.000 1.501 609 I CA -0.513 60.846 61.300 0.099 0.000 1.112 609 I CB 0.312 38.390 38.000 0.131 0.000 1.254 609 I HN 0.244 nan 8.210 nan 0.000 0.495 610 D N 2.638 123.083 120.400 0.075 0.000 2.329 610 D HA 0.194 4.834 4.640 -0.001 0.000 0.232 610 D C 0.206 176.515 176.300 0.015 0.000 1.088 610 D CA 0.069 54.098 54.000 0.047 0.000 0.835 610 D CB 0.591 41.438 40.800 0.078 0.000 1.078 610 D HN 0.259 nan 8.370 nan 0.000 0.495 611 N N 2.487 121.166 118.700 -0.036 0.000 2.681 611 N HA -0.212 4.528 4.740 -0.001 0.000 0.259 611 N C -1.374 174.130 175.510 -0.009 0.000 1.066 611 N CA 1.197 54.226 53.050 -0.034 0.000 0.717 611 N CB -0.990 37.493 38.487 -0.007 0.000 0.885 611 N HN 0.527 nan 8.380 nan 0.000 0.547 612 T N -0.823 113.726 114.554 -0.007 0.000 2.626 612 T HA 0.330 4.679 4.350 -0.001 0.000 0.299 612 T C -1.885 172.822 174.700 0.012 0.000 1.181 612 T CA -0.549 61.557 62.100 0.010 0.000 1.053 612 T CB 0.717 69.602 68.868 0.029 0.000 1.566 612 T HN 0.077 nan 8.240 nan 0.000 0.486 613 D N 2.429 122.844 120.400 0.025 0.000 2.316 613 D HA 0.466 5.106 4.640 -0.001 0.000 0.245 613 D C 0.136 176.498 176.300 0.103 0.000 1.171 613 D CA 0.015 54.032 54.000 0.027 0.000 0.856 613 D CB 0.562 41.356 40.800 -0.009 0.000 1.090 613 D HN 0.623 nan 8.370 nan 0.000 0.476 614 I N -1.739 118.894 120.570 0.105 0.000 2.957 614 I HA 0.611 4.780 4.170 -0.001 0.000 0.310 614 I C -1.209 175.011 176.117 0.172 0.000 1.063 614 I CA -1.159 60.229 61.300 0.145 0.000 1.033 614 I CB 1.994 40.083 38.000 0.147 0.000 1.230 614 I HN 0.027 nan 8.210 nan 0.000 0.447 615 L N 3.031 124.366 121.223 0.186 0.000 2.385 615 L HA 0.494 4.833 4.340 -0.001 0.000 0.273 615 L C -1.403 175.615 176.870 0.246 0.000 0.990 615 L CA -0.419 54.519 54.840 0.163 0.000 0.821 615 L CB 2.338 44.496 42.059 0.166 0.000 1.279 615 L HN 0.568 nan 8.230 nan 0.000 0.412 616 F N 3.458 123.389 119.950 -0.032 0.000 2.375 616 F HA 0.538 5.065 4.527 -0.001 0.000 0.361 616 F C -1.036 174.717 175.800 -0.078 0.000 1.117 616 F CA -0.433 57.589 58.000 0.038 0.000 1.037 616 F CB 0.746 39.751 39.000 0.008 0.000 1.192 616 F HN 0.173 nan 8.300 nan 0.000 0.452 617 F N 5.195 125.187 119.950 0.071 0.000 2.411 617 F HA 0.286 4.812 4.527 -0.001 0.000 0.352 617 F C -0.372 175.513 175.800 0.141 0.000 1.123 617 F CA -0.681 57.404 58.000 0.141 0.000 1.044 617 F CB 0.991 40.062 39.000 0.118 0.000 1.135 617 F HN 0.452 nan 8.300 nan 0.000 0.461 618 H N 1.595 120.840 119.070 0.292 0.000 2.505 618 H HA 0.446 5.001 4.556 -0.001 0.000 0.338 618 H C -0.922 174.630 175.328 0.373 0.000 1.057 618 H CA -0.648 55.548 56.048 0.247 0.000 1.202 618 H CB 1.328 31.255 29.762 0.274 0.000 1.466 618 H HN 0.495 nan 8.280 nan 0.000 0.499 619 T N 7.434 121.972 114.554 -0.026 0.000 2.744 619 T HA 0.423 4.772 4.350 -0.001 0.000 0.291 619 T C -0.823 173.796 174.700 -0.134 0.000 0.957 619 T CA -0.307 61.838 62.100 0.076 0.000 1.002 619 T CB -0.343 68.666 68.868 0.235 0.000 0.919 619 T HN 0.489 nan 8.240 nan 0.000 0.468 620 F N 0.343 120.227 119.950 -0.110 0.000 2.692 620 F HA 0.963 5.489 4.527 -0.001 0.000 0.320 620 F C 0.168 176.101 175.800 0.222 0.000 1.123 620 F CA -0.785 57.186 58.000 -0.048 0.000 0.961 620 F CB 1.104 40.025 39.000 -0.131 0.000 1.383 620 F HN 0.869 nan 8.300 nan 0.000 0.483 621 G N 0.372 109.308 108.800 0.226 0.000 2.373 621 G HA2 0.431 4.391 3.960 -0.001 0.000 0.250 621 G HA3 0.431 4.391 3.960 -0.001 0.000 0.250 621 G C -1.999 173.031 174.900 0.217 0.000 1.304 621 G CA -0.303 44.947 45.100 0.251 0.000 0.948 621 G HN 1.556 nan 8.290 nan 0.000 0.474 622 I N -2.879 117.813 120.570 0.202 0.000 3.095 622 I HA 0.852 5.021 4.170 -0.001 0.000 0.310 622 I C -0.655 175.502 176.117 0.066 0.000 1.196 622 I CA -1.018 60.357 61.300 0.126 0.000 0.985 622 I CB 2.324 40.380 38.000 0.094 0.000 1.250 622 I HN 0.470 nan 8.210 nan 0.000 0.446 623 T N 1.403 115.952 114.554 -0.008 0.000 2.770 623 T HA 0.341 4.691 4.350 -0.001 0.000 0.283 623 T C -1.014 173.528 174.700 -0.264 0.000 0.988 623 T CA -0.157 61.840 62.100 -0.171 0.000 0.957 623 T CB 0.182 68.963 68.868 -0.145 0.000 0.930 623 T HN 0.654 nan 8.240 nan 0.000 0.443 624 H N 2.806 121.515 119.070 -0.602 0.000 2.595 624 H HA 0.432 4.987 4.556 -0.001 0.000 0.313 624 H C -1.181 173.710 175.328 -0.729 0.000 1.023 624 H CA -1.123 54.596 56.048 -0.550 0.000 1.218 624 H CB 0.320 29.712 29.762 -0.617 0.000 1.403 624 H HN 0.430 nan 8.280 nan 0.000 0.477 625 F N 6.675 126.718 119.950 0.154 0.000 2.308 625 F HA 0.286 4.813 4.527 -0.001 0.000 0.370 625 F C -1.979 173.903 175.800 0.137 0.000 1.100 625 F CA -2.492 55.553 58.000 0.074 0.000 1.108 625 F CB 0.765 39.801 39.000 0.061 0.000 1.293 625 F HN 0.517 nan 8.300 nan 0.000 0.478 626 P HA 0.288 nan 4.420 nan 0.000 0.268 626 P C -0.736 176.664 177.300 0.166 0.000 1.208 626 P CA -0.046 63.116 63.100 0.104 0.000 0.777 626 P CB 0.864 32.559 31.700 -0.010 0.000 0.875 627 A N 3.563 126.490 122.820 0.178 0.000 2.527 627 A HA 0.611 4.931 4.320 -0.001 0.000 0.293 627 A C -2.116 175.548 177.584 0.133 0.000 1.117 627 A CA -1.476 50.640 52.037 0.132 0.000 0.723 627 A CB 0.734 19.809 19.000 0.126 0.000 1.313 627 A HN 0.251 nan 8.150 nan 0.000 0.411 628 P HA -0.145 nan 4.420 nan 0.000 0.218 628 P C 0.745 178.147 177.300 0.170 0.000 1.146 628 P CA 1.469 64.657 63.100 0.146 0.000 0.813 628 P CB 0.255 32.026 31.700 0.118 0.000 0.778 629 E N -0.545 119.731 120.200 0.127 0.000 2.219 629 E HA -0.177 4.172 4.350 -0.001 0.000 0.198 629 E C 1.299 177.966 176.600 0.111 0.000 0.998 629 E CA 1.115 57.577 56.400 0.102 0.000 0.818 629 E CB -0.737 29.008 29.700 0.074 0.000 0.741 629 E HN 0.340 nan 8.360 nan 0.000 0.477 630 D N -1.070 119.426 120.400 0.161 0.000 2.355 630 D HA -0.001 4.639 4.640 -0.001 0.000 0.218 630 D C -0.297 176.127 176.300 0.206 0.000 1.004 630 D CA 0.409 54.515 54.000 0.175 0.000 0.880 630 D CB 0.122 41.081 40.800 0.264 0.000 0.911 630 D HN 0.063 nan 8.370 nan 0.000 0.528 631 F N 0.845 120.813 119.950 0.029 0.000 2.561 631 F HA 0.324 4.850 4.527 -0.001 0.000 0.321 631 F C -1.756 174.052 175.800 0.014 0.000 1.065 631 F CA -2.332 55.677 58.000 0.015 0.000 0.934 631 F CB 2.153 41.178 39.000 0.041 0.000 1.215 631 F HN -0.313 nan 8.300 nan 0.000 0.471 632 P HA 0.063 nan 4.420 nan 0.000 0.241 632 P C -0.298 176.628 177.300 -0.623 0.000 1.191 632 P CA 0.986 63.316 63.100 -1.284 0.000 0.771 632 P CB 1.115 32.336 31.700 -0.798 0.000 0.929 636 A N 1.075 123.842 122.820 -0.089 0.000 2.567 636 A HA 0.327 4.646 4.320 -0.001 0.000 0.240 636 A C 0.200 177.731 177.584 -0.089 0.000 1.053 636 A CA 0.528 52.511 52.037 -0.090 0.000 0.755 636 A CB 0.016 18.975 19.000 -0.068 0.000 0.978 636 A HN 0.558 nan 8.150 nan 0.000 0.507 637 E N 3.730 123.865 120.200 -0.109 0.000 2.145 637 E HA 0.462 4.811 4.350 -0.001 0.000 0.270 637 E C -2.609 173.939 176.600 -0.087 0.000 0.906 637 E CA -2.252 54.081 56.400 -0.111 0.000 0.761 637 E CB 1.537 31.136 29.700 -0.169 0.000 1.116 637 E HN 0.503 nan 8.360 nan 0.000 0.408 638 P HA 0.318 nan 4.420 nan 0.000 0.288 638 P C -0.734 176.542 177.300 -0.040 0.000 1.267 638 P CA -0.261 62.806 63.100 -0.055 0.000 0.815 638 P CB 1.222 32.887 31.700 -0.059 0.000 0.989 639 I N 0.910 121.456 120.570 -0.039 0.000 2.582 639 I HA 0.531 4.700 4.170 -0.001 0.000 0.292 639 I C 0.081 176.159 176.117 -0.066 0.000 1.066 639 I CA -0.521 60.773 61.300 -0.011 0.000 1.053 639 I CB 2.585 40.603 38.000 0.030 0.000 1.241 639 I HN 0.270 nan 8.210 nan 0.000 0.421 640 T N 5.848 120.352 114.554 -0.083 0.000 2.894 640 T HA 0.822 5.171 4.350 -0.001 0.000 0.309 640 T C -1.715 172.854 174.700 -0.219 0.000 1.208 640 T CA -0.468 61.532 62.100 -0.168 0.000 1.016 640 T CB 1.585 70.375 68.868 -0.129 0.000 1.192 640 T HN 0.520 nan 8.240 nan 0.000 0.491 641 L N 1.009 122.054 121.223 -0.297 0.000 2.469 641 L HA 0.914 5.254 4.340 -0.001 0.000 0.256 641 L C -1.154 175.592 176.870 -0.205 0.000 1.006 641 L CA -0.999 53.684 54.840 -0.261 0.000 0.832 641 L CB 2.161 43.977 42.059 -0.405 0.000 1.421 641 L HN 0.800 nan 8.230 nan 0.000 0.410 642 M N 1.978 121.501 119.600 -0.128 0.000 2.501 642 M HA 0.692 5.171 4.480 -0.001 0.000 0.293 642 M C -2.136 174.147 176.300 -0.028 0.000 1.192 642 M CA -0.589 54.664 55.300 -0.079 0.000 0.886 642 M CB 2.411 34.982 32.600 -0.047 0.000 1.710 642 M HN 0.736 nan 8.290 nan 0.000 0.457 643 L N 4.313 125.558 121.223 0.037 0.000 2.319 643 L HA 0.585 4.925 4.340 -0.001 0.000 0.281 643 L C -0.816 176.171 176.870 0.195 0.000 1.005 643 L CA -0.492 54.449 54.840 0.168 0.000 0.828 643 L CB 1.603 43.848 42.059 0.310 0.000 1.227 643 L HN 0.687 nan 8.230 nan 0.000 0.415 644 R N 4.168 124.675 120.500 0.012 0.000 2.562 644 R HA 0.476 4.815 4.340 -0.001 0.000 0.298 644 R C -2.606 173.323 176.300 -0.618 0.000 0.961 644 R CA -1.964 54.020 56.100 -0.193 0.000 0.881 644 R CB 1.675 31.916 30.300 -0.099 0.000 1.159 644 R HN 0.256 nan 8.270 nan 0.000 0.450 645 P HA 0.093 nan 4.420 nan 0.000 0.271 645 P C -0.936 176.154 177.300 -0.350 0.000 1.226 645 P CA -0.158 62.332 63.100 -1.017 0.000 0.765 645 P CB 0.800 32.107 31.700 -0.655 0.000 0.835 646 R N 3.217 123.592 120.500 -0.209 0.000 2.483 646 R HA 0.280 4.619 4.340 -0.001 0.000 0.303 646 R C 0.541 176.860 176.300 0.032 0.000 0.987 646 R CA -0.669 55.363 56.100 -0.114 0.000 0.881 646 R CB 0.317 30.601 30.300 -0.027 0.000 1.177 646 R HN 0.665 nan 8.270 nan 0.000 0.451 647 H N 0.846 119.930 119.070 0.025 0.000 3.415 647 H HA -0.219 4.336 4.556 -0.001 0.000 0.213 647 H C 0.740 176.065 175.328 -0.006 0.000 1.091 647 H CA 1.204 57.262 56.048 0.017 0.000 1.182 647 H CB -1.176 28.587 29.762 0.001 0.000 1.160 647 H HN 0.540 nan 8.280 nan 0.000 0.319 648 F N 0.637 120.508 119.950 -0.132 0.000 2.149 648 F HA 0.117 4.643 4.527 -0.001 0.000 0.294 648 F C 1.056 176.584 175.800 -0.452 0.000 1.095 648 F CA 0.860 58.660 58.000 -0.333 0.000 1.276 648 F CB 0.166 38.833 39.000 -0.554 0.000 1.023 648 F HN -0.061 nan 8.300 nan 0.000 0.480 649 F N -0.324 119.675 119.950 0.083 0.000 2.408 649 F HA 0.247 4.773 4.527 -0.001 0.000 0.325 649 F C 1.692 177.453 175.800 -0.064 0.000 1.082 649 F CA -0.169 57.819 58.000 -0.020 0.000 1.032 649 F CB 0.619 39.620 39.000 0.001 0.000 1.259 649 F HN -0.209 nan 8.300 nan 0.000 0.503 650 T N -3.095 111.521 114.554 0.103 0.000 3.081 650 T HA 0.211 4.560 4.350 -0.001 0.000 0.250 650 T C -0.066 174.705 174.700 0.117 0.000 1.100 650 T CA 0.308 62.384 62.100 -0.041 0.000 1.038 650 T CB -0.573 68.063 68.868 -0.385 0.000 0.962 650 T HN 0.734 nan 8.240 nan 0.000 0.516 651 E N 0.136 120.408 120.200 0.121 0.000 2.429 651 E HA 0.295 4.644 4.350 -0.001 0.000 0.280 651 E C -1.347 175.247 176.600 -0.011 0.000 1.068 651 E CA -1.223 55.219 56.400 0.070 0.000 0.837 651 E CB 0.065 29.802 29.700 0.061 0.000 1.357 651 E HN -0.115 nan 8.360 nan 0.000 0.455 652 N N 2.123 120.777 118.700 -0.077 0.000 2.332 652 N HA -0.029 4.710 4.740 -0.001 0.000 0.274 652 N C -1.331 174.062 175.510 -0.195 0.000 1.351 652 N CA -1.075 51.885 53.050 -0.150 0.000 0.875 652 N CB 0.639 38.992 38.487 -0.223 0.000 1.140 652 N HN 0.389 nan 8.380 nan 0.000 0.489 653 P HA 0.022 nan 4.420 nan 0.000 0.233 653 P C 0.810 178.008 177.300 -0.169 0.000 1.167 653 P CA 0.665 63.489 63.100 -0.460 0.000 0.770 653 P CB 0.067 31.049 31.700 -1.198 0.000 0.837 654 G N -0.320 108.457 108.800 -0.039 0.000 3.042 654 G HA2 0.044 4.003 3.960 -0.001 0.000 0.212 654 G HA3 0.044 4.003 3.960 -0.001 0.000 0.212 654 G C 1.295 176.343 174.900 0.248 0.000 1.166 654 G CA -0.155 45.036 45.100 0.151 0.000 0.767 654 G HN 0.197 nan 8.290 nan 0.000 0.546 655 L N 1.056 122.327 121.223 0.079 0.000 2.376 655 L HA 0.019 4.359 4.340 -0.001 0.000 0.219 655 L C 1.991 178.926 176.870 0.108 0.000 1.133 655 L CA 0.942 55.812 54.840 0.051 0.000 0.816 655 L CB -0.034 41.965 42.059 -0.100 0.000 0.933 655 L HN 0.246 nan 8.230 nan 0.000 0.449 656 D N -0.109 120.353 120.400 0.104 0.000 2.340 656 D HA 0.006 4.646 4.640 -0.001 0.000 0.220 656 D C 0.684 177.026 176.300 0.071 0.000 1.039 656 D CA 0.011 54.064 54.000 0.089 0.000 0.866 656 D CB -0.192 40.682 40.800 0.124 0.000 0.913 656 D HN 0.209 nan 8.370 nan 0.000 0.523 657 I N 1.679 122.305 120.570 0.093 0.000 2.496 657 I HA -0.020 4.150 4.170 -0.001 0.000 0.285 657 I C 0.762 176.916 176.117 0.062 0.000 1.080 657 I CA -0.482 60.851 61.300 0.055 0.000 1.404 657 I CB 0.706 38.729 38.000 0.038 0.000 1.403 657 I HN -0.202 nan 8.210 nan 0.000 0.539 658 Q N 7.103 126.921 119.800 0.030 0.000 2.255 658 Q HA 0.150 4.489 4.340 -0.001 0.000 0.280 658 Q C -2.132 173.886 176.000 0.029 0.000 1.068 658 Q CA -1.386 54.435 55.803 0.030 0.000 0.911 658 Q CB 0.004 28.752 28.738 0.016 0.000 1.157 658 Q HN 0.308 nan 8.270 nan 0.000 0.380 659 P HA 0.017 nan 4.420 nan 0.000 0.268 659 P C 0.301 177.623 177.300 0.037 0.000 1.208 659 P CA 0.120 63.246 63.100 0.043 0.000 0.777 659 P CB 0.684 32.418 31.700 0.057 0.000 0.875 660 S N -0.091 115.636 115.700 0.045 0.000 2.406 660 S HA -0.037 4.432 4.470 -0.001 0.000 0.228 660 S C 0.160 174.857 174.600 0.162 0.000 1.020 660 S CA 1.115 59.359 58.200 0.074 0.000 0.965 660 S CB -0.399 62.832 63.200 0.052 0.000 0.798 660 S HN 0.593 nan 8.310 nan 0.000 0.488 661 Y N 0.053 120.361 120.300 0.012 0.000 2.479 661 Y HA 0.583 5.132 4.550 -0.001 0.000 0.338 661 Y C -1.482 174.438 175.900 0.033 0.000 1.055 661 Y CA -1.224 56.888 58.100 0.020 0.000 1.023 661 Y CB 1.105 39.575 38.460 0.015 0.000 1.287 661 Y HN -0.033 nan 8.280 nan 0.000 0.447 662 A N 6.037 128.458 122.820 -0.665 0.000 2.437 662 A HA 0.755 5.075 4.320 -0.001 0.000 0.293 662 A C -1.980 175.226 177.584 -0.631 0.000 1.038 662 A CA -0.528 51.226 52.037 -0.471 0.000 0.708 662 A CB 1.352 20.242 19.000 -0.182 0.000 1.251 662 A HN 0.719 nan 8.150 nan 0.000 0.409 663 M N 2.781 122.129 119.600 -0.420 0.000 2.213 663 M HA 0.512 4.991 4.480 -0.001 0.000 0.286 663 M C 0.161 176.410 176.300 -0.086 0.000 1.008 663 M CA -0.049 55.111 55.300 -0.234 0.000 0.937 663 M CB 1.749 34.270 32.600 -0.131 0.000 1.600 663 M HN 0.934 nan 8.290 nan 0.000 0.450 664 T N 0.611 115.126 114.554 -0.065 0.000 2.788 664 T HA 0.365 4.714 4.350 -0.001 0.000 0.280 664 T C 0.883 175.570 174.700 -0.022 0.000 0.984 664 T CA -0.101 61.979 62.100 -0.034 0.000 0.972 664 T CB 0.592 69.440 68.868 -0.033 0.000 1.039 664 T HN 0.688 nan 8.240 nan 0.000 0.530 665 T N 1.336 115.878 114.554 -0.021 0.000 2.746 665 T HA -0.135 4.214 4.350 -0.001 0.000 0.267 665 T C 2.402 177.088 174.700 -0.023 0.000 1.039 665 T CA 1.914 63.998 62.100 -0.025 0.000 1.142 665 T CB -0.745 68.102 68.868 -0.035 0.000 0.866 665 T HN 0.872 nan 8.240 nan 0.000 0.444 666 S N 1.763 117.450 115.700 -0.022 0.000 2.368 666 S HA -0.127 4.342 4.470 -0.001 0.000 0.225 666 S C 1.893 176.484 174.600 -0.016 0.000 1.030 666 S CA 1.142 59.331 58.200 -0.019 0.000 0.999 666 S CB -0.486 62.702 63.200 -0.019 0.000 0.844 666 S HN 0.578 nan 8.310 nan 0.000 0.459 667 E N 1.846 122.035 120.200 -0.018 0.000 2.077 667 E HA -0.046 4.303 4.350 -0.001 0.000 0.193 667 E C 2.451 179.049 176.600 -0.004 0.000 0.989 667 E CA 1.028 57.419 56.400 -0.015 0.000 0.800 667 E CB -0.460 29.223 29.700 -0.029 0.000 0.746 667 E HN 0.713 nan 8.360 nan 0.000 0.452 668 A N 1.556 124.376 122.820 -0.001 0.000 1.933 668 A HA -0.232 4.088 4.320 -0.001 0.000 0.218 668 A C 1.947 179.533 177.584 0.003 0.000 1.175 668 A CA 1.458 53.501 52.037 0.011 0.000 0.628 668 A CB -0.256 18.751 19.000 0.012 0.000 0.814 668 A HN 0.046 nan 8.150 nan 0.000 0.444 669 K N -0.631 119.766 120.400 -0.006 0.000 2.057 669 K HA -0.143 4.177 4.320 -0.001 0.000 0.206 669 K C 2.201 178.799 176.600 -0.004 0.000 1.050 669 K CA 1.528 57.810 56.287 -0.009 0.000 0.935 669 K CB -0.167 32.324 32.500 -0.014 0.000 0.715 669 K HN 0.666 nan 8.250 nan 0.000 0.439 670 R N 0.444 120.942 120.500 -0.004 0.000 2.299 670 R HA 0.125 4.465 4.340 -0.001 0.000 0.197 670 R C 1.530 177.832 176.300 0.003 0.000 0.971 670 R CA 0.844 56.942 56.100 -0.002 0.000 1.030 670 R CB 0.058 30.355 30.300 -0.004 0.000 0.932 670 R HN -0.002 nan 8.270 nan 0.000 0.477 671 A N 1.839 124.664 122.820 0.007 0.000 2.235 671 A HA 0.214 4.533 4.320 -0.001 0.000 0.208 671 A C 1.056 178.647 177.584 0.012 0.000 1.172 671 A CA 0.367 52.412 52.037 0.014 0.000 0.786 671 A CB -0.636 18.380 19.000 0.025 0.000 0.804 671 A HN 0.498 nan 8.150 nan 0.000 0.479 672 V N 0.000 119.918 119.914 0.007 0.000 2.409 672 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 672 V CA 0.000 62.303 62.300 0.004 0.000 1.235 672 V CB 0.000 31.825 31.823 0.003 0.000 1.184 672 V HN 0.000 nan 8.190 nan 0.000 0.556