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 2gso_1_A DATA FIRST_RESID 44 DATA SEQUENCE TPHALLLISI DGLRADMLDR GITPNLSHLA REGVRARWMA PSYPSLTFPN DATA SEQUENCE HYTLVTGLRP DHHGIVHNSM RDPTLGGFWL SKSEAVGDAR WWGGEPVWVG DATA SEQUENCE VENTGQHAAT WSWPGSEAAI KGVRPSQWRH YQKGVRLDTR VDAVRGWLAT DATA SEQUENCE DGAQRNRLVT LYFEHVDEAG HDHGPESRQY ADAVRAVDAA IGRLLAGMQR DATA SEQUENCE DGTRARTNII VVSDHGMAEV APGHAISVED IAPPQIATAI TDGQVIGFEP DATA SEQUENCE LPGQQAAAEA SVLGAHDHYD cWRKAELPAR WQYGSHPRIP SLVcQMHEGW DATA SEQUENCE DALFPDKLAK RAQRGTRGSH GYDPALPSMR AVFLAQGPDL AQGKTLPGFD DATA SEQUENCE NVDVYALMSR LLGIPAAPND GNPATLLPAL RM 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 44 T HA 0.000 nan 4.350 nan 0.000 0.228 44 T C 0.000 174.656 174.700 -0.074 0.000 1.109 44 T CA 0.000 62.081 62.100 -0.032 0.000 1.349 44 T CB 0.000 68.869 68.868 0.002 0.000 0.612 45 P HA 0.416 nan 4.420 nan 0.000 0.274 45 P C -0.506 176.756 177.300 -0.063 0.000 1.237 45 P CA -0.525 62.493 63.100 -0.138 0.000 0.793 45 P CB 0.296 31.946 31.700 -0.084 0.000 0.977 46 H N -0.294 118.776 119.070 0.001 0.000 2.886 46 H HA 0.369 4.927 4.556 0.003 0.000 0.329 46 H C 0.569 175.903 175.328 0.009 0.000 1.044 46 H CA -0.699 55.352 56.048 0.006 0.000 1.456 46 H CB 0.545 30.309 29.762 0.003 0.000 1.464 46 H HN 0.518 nan 8.280 nan 0.000 0.573 47 A N 3.230 126.142 122.820 0.153 0.000 2.366 47 A HA 0.305 4.627 4.320 0.003 0.000 0.249 47 A C -0.514 177.118 177.584 0.080 0.000 1.084 47 A CA -0.406 51.689 52.037 0.096 0.000 0.794 47 A CB 0.372 19.427 19.000 0.091 0.000 1.034 47 A HN 0.533 nan 8.150 nan 0.000 0.491 48 L N 1.404 122.665 121.223 0.063 0.000 2.333 48 L HA 0.642 4.984 4.340 0.003 0.000 0.280 48 L C -1.012 175.897 176.870 0.066 0.000 1.004 48 L CA -0.599 54.272 54.840 0.052 0.000 0.820 48 L CB 1.576 43.654 42.059 0.032 0.000 1.247 48 L HN 0.622 nan 8.230 nan 0.000 0.416 49 L N 6.053 127.318 121.223 0.070 0.000 2.265 49 L HA 0.588 4.930 4.340 0.003 0.000 0.289 49 L C -1.421 175.510 176.870 0.101 0.000 1.033 49 L CA -0.284 54.615 54.840 0.098 0.000 0.814 49 L CB 1.310 43.427 42.059 0.096 0.000 1.203 49 L HN 0.697 nan 8.230 nan 0.000 0.423 50 L N 6.939 128.238 121.223 0.127 0.000 2.298 50 L HA 0.624 4.966 4.340 0.003 0.000 0.284 50 L C -1.019 176.033 176.870 0.304 0.000 1.013 50 L CA -0.003 54.930 54.840 0.155 0.000 0.824 50 L CB 0.969 43.047 42.059 0.033 0.000 1.221 50 L HN 0.568 nan 8.230 nan 0.000 0.418 51 I N 3.809 124.571 120.570 0.320 0.000 2.406 51 I HA 0.386 4.557 4.170 0.003 0.000 0.290 51 I C -0.134 176.240 176.117 0.428 0.000 0.999 51 I CA -0.461 61.067 61.300 0.380 0.000 1.124 51 I CB 1.927 40.098 38.000 0.286 0.000 1.289 51 I HN 0.608 nan 8.210 nan 0.000 0.441 52 S N 7.184 123.170 115.700 0.477 0.000 2.437 52 S HA 0.626 5.098 4.470 0.003 0.000 0.305 52 S C -0.553 174.175 174.600 0.213 0.000 1.109 52 S CA -0.557 57.830 58.200 0.310 0.000 1.099 52 S CB 0.574 63.899 63.200 0.208 0.000 1.004 52 S HN 0.460 nan 8.310 nan 0.000 0.475 53 I N 4.314 124.953 120.570 0.115 0.000 2.347 53 I HA 0.220 4.392 4.170 0.003 0.000 0.283 53 I C 0.138 176.223 176.117 -0.053 0.000 1.058 53 I CA -0.673 60.645 61.300 0.031 0.000 1.202 53 I CB 0.874 38.856 38.000 -0.029 0.000 1.386 53 I HN 0.574 nan 8.210 nan 0.000 0.475 54 D N 5.474 125.822 120.400 -0.088 0.000 2.487 54 D HA 0.018 4.660 4.640 0.003 0.000 0.243 54 D C 1.259 177.486 176.300 -0.121 0.000 1.154 54 D CA 1.526 55.492 54.000 -0.057 0.000 0.876 54 D CB 0.997 41.839 40.800 0.070 0.000 1.161 54 D HN 0.897 nan 8.370 nan 0.000 0.478 55 G N 3.129 111.717 108.800 -0.353 0.000 2.155 55 G HA2 -0.284 3.678 3.960 0.003 0.000 0.257 55 G HA3 -0.284 3.678 3.960 0.003 0.000 0.257 55 G C 0.340 175.252 174.900 0.020 0.000 0.983 55 G CA 0.350 45.344 45.100 -0.178 0.000 0.676 55 G HN 0.551 nan 8.290 nan 0.000 0.528 56 L N 1.265 122.464 121.223 -0.040 0.000 2.325 56 L HA 0.601 4.943 4.340 0.003 0.000 0.284 56 L C 0.976 177.895 176.870 0.081 0.000 1.089 56 L CA -0.619 54.245 54.840 0.040 0.000 0.836 56 L CB 0.404 42.447 42.059 -0.027 0.000 1.184 56 L HN 0.312 nan 8.230 nan 0.000 0.444 57 R N 3.552 124.154 120.500 0.170 0.000 2.594 57 R HA 0.327 4.669 4.340 0.003 0.000 0.272 57 R C 1.292 177.656 176.300 0.106 0.000 1.074 57 R CA 0.534 56.704 56.100 0.116 0.000 1.105 57 R CB 1.171 31.529 30.300 0.096 0.000 1.008 57 R HN 0.893 nan 8.270 nan 0.000 0.472 58 A N 2.947 125.829 122.820 0.103 0.000 1.986 58 A HA -0.222 4.100 4.320 0.003 0.000 0.220 58 A C 1.348 179.007 177.584 0.126 0.000 1.171 58 A CA 1.969 54.090 52.037 0.140 0.000 0.640 58 A CB -0.465 18.662 19.000 0.211 0.000 0.811 58 A HN 0.941 nan 8.150 nan 0.000 0.451 59 D N -1.086 119.373 120.400 0.099 0.000 2.363 59 D HA -0.069 4.573 4.640 0.003 0.000 0.220 59 D C 1.426 177.775 176.300 0.081 0.000 0.994 59 D CA 0.412 54.464 54.000 0.086 0.000 0.890 59 D CB -0.411 40.425 40.800 0.060 0.000 0.906 59 D HN 0.338 nan 8.370 nan 0.000 0.530 60 M N 0.166 119.823 119.600 0.095 0.000 2.557 60 M HA 0.103 4.585 4.480 0.003 0.000 0.259 60 M C 1.795 178.132 176.300 0.063 0.000 1.086 60 M CA 0.396 55.755 55.300 0.098 0.000 1.096 60 M CB -0.362 32.328 32.600 0.149 0.000 1.424 60 M HN 0.120 nan 8.290 nan 0.000 0.488 61 L N -0.341 120.917 121.223 0.059 0.000 2.478 61 L HA -0.098 4.244 4.340 0.003 0.000 0.223 61 L C 0.458 177.352 176.870 0.041 0.000 1.140 61 L CA 0.521 55.386 54.840 0.043 0.000 0.842 61 L CB -0.285 41.803 42.059 0.049 0.000 0.953 61 L HN 0.169 nan 8.230 nan 0.000 0.452 62 D N -0.211 120.218 120.400 0.049 0.000 2.559 62 D HA 0.136 4.778 4.640 0.003 0.000 0.234 62 D C 1.140 177.462 176.300 0.037 0.000 1.226 62 D CA 0.100 54.126 54.000 0.044 0.000 0.830 62 D CB 0.504 41.335 40.800 0.052 0.000 1.028 62 D HN 0.214 nan 8.370 nan 0.000 0.492 63 R N -0.538 119.982 120.500 0.034 0.000 2.508 63 R HA 0.240 4.581 4.340 0.003 0.000 0.300 63 R C 0.945 177.257 176.300 0.020 0.000 0.970 63 R CA 0.090 56.208 56.100 0.030 0.000 1.102 63 R CB 1.229 31.553 30.300 0.040 0.000 1.246 63 R HN 0.093 nan 8.270 nan 0.000 0.539 64 G N 2.448 111.257 108.800 0.016 0.000 2.153 64 G HA2 -0.258 3.703 3.960 0.003 0.000 0.252 64 G HA3 -0.258 3.703 3.960 0.003 0.000 0.252 64 G C 0.568 175.468 174.900 -0.001 0.000 0.994 64 G CA 0.624 45.729 45.100 0.008 0.000 0.698 64 G HN 0.512 nan 8.290 nan 0.000 0.521 65 I N -2.288 118.281 120.570 -0.002 0.000 4.081 65 I HA 0.443 4.615 4.170 0.003 0.000 0.333 65 I C 0.798 176.895 176.117 -0.034 0.000 1.413 65 I CA 0.460 61.750 61.300 -0.017 0.000 1.110 65 I CB 0.637 38.631 38.000 -0.010 0.000 1.082 65 I HN 0.171 nan 8.210 nan 0.000 0.402 66 T N -1.918 112.621 114.554 -0.025 0.000 3.732 66 T HA 0.412 4.764 4.350 0.003 0.000 0.234 66 T C -1.849 172.839 174.700 -0.020 0.000 1.146 66 T CA -1.293 60.785 62.100 -0.036 0.000 1.454 66 T CB 0.410 69.259 68.868 -0.031 0.000 0.910 66 T HN -0.013 nan 8.240 nan 0.000 0.640 67 P HA -0.131 nan 4.420 nan 0.000 0.215 67 P C 1.252 178.557 177.300 0.009 0.000 1.153 67 P CA 1.167 64.261 63.100 -0.009 0.000 0.853 67 P CB 0.200 31.882 31.700 -0.030 0.000 0.788 68 N N -0.094 118.599 118.700 -0.011 0.000 2.135 68 N HA -0.039 4.703 4.740 0.003 0.000 0.186 68 N C 2.061 177.590 175.510 0.033 0.000 1.027 68 N CA 0.997 54.052 53.050 0.009 0.000 0.849 68 N CB -0.639 37.832 38.487 -0.027 0.000 1.002 68 N HN 0.216 nan 8.380 nan 0.000 0.425 69 L N 0.826 122.047 121.223 -0.003 0.000 2.093 69 L HA -0.060 4.282 4.340 0.003 0.000 0.208 69 L C 2.362 179.237 176.870 0.008 0.000 1.085 69 L CA 0.703 55.539 54.840 -0.007 0.000 0.755 69 L CB -0.340 41.702 42.059 -0.029 0.000 0.904 69 L HN 0.052 nan 8.230 nan 0.000 0.435 70 S N -1.267 114.447 115.700 0.023 0.000 2.368 70 S HA -0.247 4.225 4.470 0.003 0.000 0.225 70 S C 1.930 176.559 174.600 0.049 0.000 1.030 70 S CA 1.379 59.598 58.200 0.031 0.000 0.999 70 S CB -0.363 62.858 63.200 0.035 0.000 0.844 70 S HN 0.508 nan 8.310 nan 0.000 0.459 71 H N 0.980 120.038 119.070 -0.020 0.000 2.357 71 H HA 0.051 4.609 4.556 0.003 0.000 0.301 71 H C 1.984 177.299 175.328 -0.021 0.000 1.082 71 H CA 1.322 57.359 56.048 -0.019 0.000 1.342 71 H CB -0.473 29.276 29.762 -0.021 0.000 1.389 71 H HN 0.206 nan 8.280 nan 0.000 0.511 72 L N 0.363 121.568 121.223 -0.030 0.000 2.042 72 L HA -0.105 4.237 4.340 0.003 0.000 0.210 72 L C 2.474 179.279 176.870 -0.108 0.000 1.076 72 L CA 1.983 56.773 54.840 -0.082 0.000 0.749 72 L CB -1.194 40.848 42.059 -0.028 0.000 0.893 72 L HN 0.409 nan 8.230 nan 0.000 0.432 73 A N -0.748 122.028 122.820 -0.073 0.000 1.902 73 A HA -0.207 4.115 4.320 0.003 0.000 0.217 73 A C 2.416 179.958 177.584 -0.071 0.000 1.181 73 A CA 1.689 53.690 52.037 -0.060 0.000 0.623 73 A CB -0.517 18.468 19.000 -0.025 0.000 0.818 73 A HN 0.479 nan 8.150 nan 0.000 0.443 74 R N -0.418 120.024 120.500 -0.097 0.000 2.092 74 R HA -0.115 4.227 4.340 0.003 0.000 0.231 74 R C 2.024 178.241 176.300 -0.139 0.000 1.119 74 R CA 1.532 57.570 56.100 -0.103 0.000 0.970 74 R CB -0.300 29.939 30.300 -0.102 0.000 0.864 74 R HN 0.676 nan 8.270 nan 0.000 0.440 75 E N -0.490 119.578 120.200 -0.221 0.000 2.150 75 E HA -0.070 4.282 4.350 0.003 0.000 0.193 75 E C 1.275 177.809 176.600 -0.111 0.000 0.985 75 E CA 0.943 57.228 56.400 -0.192 0.000 0.814 75 E CB 0.140 29.692 29.700 -0.246 0.000 0.752 75 E HN 0.389 nan 8.360 nan 0.000 0.466 76 G N 0.091 108.834 108.800 -0.096 0.000 3.414 76 G HA2 0.422 4.384 3.960 0.003 0.000 0.189 76 G HA3 0.422 4.384 3.960 0.003 0.000 0.189 76 G C -0.688 174.188 174.900 -0.040 0.000 1.329 76 G CA -0.406 44.655 45.100 -0.065 0.000 0.851 76 G HN -0.006 nan 8.290 nan 0.000 0.671 77 V N 0.464 120.361 119.914 -0.029 0.000 2.604 77 V HA 0.708 4.829 4.120 0.003 0.000 0.305 77 V C -0.392 175.719 176.094 0.027 0.000 1.043 77 V CA -0.751 61.559 62.300 0.017 0.000 0.888 77 V CB 1.705 33.568 31.823 0.067 0.000 0.995 77 V HN 0.646 nan 8.190 nan 0.000 0.429 78 R N 2.712 123.254 120.500 0.069 0.000 2.538 78 R HA 0.769 5.111 4.340 0.003 0.000 0.292 78 R C -0.584 175.816 176.300 0.165 0.000 1.008 78 R CA -0.379 55.784 56.100 0.105 0.000 0.896 78 R CB 1.930 32.262 30.300 0.054 0.000 1.187 78 R HN 0.878 nan 8.270 nan 0.000 0.440 79 A N 3.260 126.260 122.820 0.300 0.000 2.322 79 A HA 0.311 4.633 4.320 0.003 0.000 0.269 79 A C 0.820 178.459 177.584 0.092 0.000 1.094 79 A CA -0.482 51.688 52.037 0.221 0.000 0.807 79 A CB 0.699 19.962 19.000 0.439 0.000 1.047 79 A HN 1.003 nan 8.150 nan 0.000 0.487 80 R N 0.438 120.893 120.500 -0.075 0.000 2.105 80 R HA -0.082 4.260 4.340 0.003 0.000 0.239 80 R C 0.090 176.442 176.300 0.086 0.000 1.135 80 R CA 1.978 58.038 56.100 -0.067 0.000 0.967 80 R CB -0.139 30.019 30.300 -0.235 0.000 0.861 80 R HN 0.875 nan 8.270 nan 0.000 0.442 81 W N -2.749 118.614 121.300 0.105 0.000 2.986 81 W HA 0.387 5.049 4.660 0.003 0.000 0.345 81 W C -1.812 174.671 176.519 -0.059 0.000 1.191 81 W CA -1.065 56.308 57.345 0.045 0.000 1.170 81 W CB 0.401 29.875 29.460 0.024 0.000 1.438 81 W HN -0.233 nan 8.180 nan 0.000 0.567 82 M N 2.657 122.411 119.600 0.257 0.000 2.263 82 M HA 0.641 5.123 4.480 0.003 0.000 0.295 82 M C -0.823 175.544 176.300 0.111 0.000 1.028 82 M CA -0.237 54.968 55.300 -0.158 0.000 0.921 82 M CB 1.911 34.300 32.600 -0.352 0.000 1.601 82 M HN 0.567 nan 8.290 nan 0.000 0.440 83 A N 6.967 129.870 122.820 0.138 0.000 2.366 83 A HA 0.758 5.080 4.320 0.003 0.000 0.272 83 A C -2.669 174.941 177.584 0.043 0.000 1.135 83 A CA -1.341 50.767 52.037 0.120 0.000 0.804 83 A CB -0.202 18.901 19.000 0.172 0.000 1.064 83 A HN 0.561 nan 8.150 nan 0.000 0.499 84 P HA 0.203 nan 4.420 nan 0.000 0.274 84 P C -0.158 177.172 177.300 0.051 0.000 1.256 84 P CA -0.185 62.942 63.100 0.045 0.000 0.795 84 P CB 0.718 32.446 31.700 0.047 0.000 1.038 85 S N -0.572 115.160 115.700 0.054 0.000 2.672 85 S HA 0.270 4.742 4.470 0.003 0.000 0.276 85 S C -0.464 174.126 174.600 -0.016 0.000 1.207 85 S CA -0.225 58.010 58.200 0.059 0.000 1.002 85 S CB 0.089 63.337 63.200 0.081 0.000 0.998 85 S HN 0.370 nan 8.310 nan 0.000 0.542 86 Y N 4.187 124.396 120.300 -0.151 0.000 2.335 86 Y HA 0.329 4.881 4.550 0.003 0.000 0.331 86 Y C -2.210 173.426 175.900 -0.441 0.000 1.094 86 Y CA -1.769 56.102 58.100 -0.383 0.000 1.253 86 Y CB 0.661 38.821 38.460 -0.499 0.000 1.203 86 Y HN 0.354 nan 8.280 nan 0.000 0.508 87 P HA 0.099 nan 4.420 nan 0.000 0.281 87 P C -0.845 176.076 177.300 -0.632 0.000 1.249 87 P CA -0.542 61.780 63.100 -1.296 0.000 0.810 87 P CB 1.246 32.261 31.700 -1.142 0.000 1.008 88 S N 1.936 117.292 115.700 -0.573 0.000 3.811 88 S HA 0.273 4.745 4.470 0.003 0.000 0.205 88 S C 0.336 174.836 174.600 -0.167 0.000 1.445 88 S CA -0.396 57.654 58.200 -0.250 0.000 1.097 88 S CB -1.366 61.729 63.200 -0.174 0.000 1.350 88 S HN 0.287 nan 8.310 nan 0.000 0.471 89 L N 0.074 121.219 121.223 -0.129 0.000 2.303 89 L HA 0.460 4.802 4.340 0.003 0.000 0.266 89 L C 1.504 178.508 176.870 0.223 0.000 1.011 89 L CA -1.011 53.818 54.840 -0.019 0.000 0.818 89 L CB 1.168 43.095 42.059 -0.220 0.000 1.326 89 L HN 0.158 nan 8.230 nan 0.000 0.435 90 T N -0.070 114.706 114.554 0.369 0.000 2.643 90 T HA -0.114 4.237 4.350 0.003 0.000 0.264 90 T C 1.493 176.527 174.700 0.557 0.000 1.045 90 T CA 1.712 64.132 62.100 0.534 0.000 1.155 90 T CB -0.190 68.999 68.868 0.535 0.000 0.863 90 T HN 0.314 nan 8.240 nan 0.000 0.420 91 F N 1.409 121.485 119.950 0.211 0.000 2.113 91 F HA 0.096 4.624 4.527 0.003 0.000 0.297 91 F C -0.684 175.281 175.800 0.274 0.000 1.103 91 F CA 0.267 58.402 58.000 0.224 0.000 1.248 91 F CB -1.711 37.400 39.000 0.186 0.000 0.999 91 F HN 0.163 nan 8.300 nan 0.000 0.475 92 P HA -0.171 nan 4.420 nan 0.000 0.215 92 P C 1.334 178.872 177.300 0.395 0.000 1.157 92 P CA 1.733 65.064 63.100 0.384 0.000 0.874 92 P CB -0.019 31.799 31.700 0.198 0.000 0.790 93 N N -1.861 117.012 118.700 0.290 0.000 2.250 93 N HA -0.106 4.635 4.740 0.003 0.000 0.181 93 N C 1.719 177.360 175.510 0.219 0.000 1.017 93 N CA 0.951 54.135 53.050 0.223 0.000 0.866 93 N CB -0.611 37.957 38.487 0.136 0.000 0.985 93 N HN 0.303 nan 8.380 nan 0.000 0.429 94 H N -0.751 118.439 119.070 0.200 0.000 2.387 94 H HA -0.107 4.451 4.556 0.003 0.000 0.299 94 H C 1.545 177.178 175.328 0.508 0.000 1.090 94 H CA 1.474 57.650 56.048 0.212 0.000 1.332 94 H CB -0.107 29.505 29.762 -0.249 0.000 1.386 94 H HN 0.229 nan 8.280 nan 0.000 0.516 95 Y N 0.784 121.286 120.300 0.337 0.000 2.263 95 Y HA -0.170 4.382 4.550 0.003 0.000 0.292 95 Y C 2.407 178.365 175.900 0.096 0.000 1.130 95 Y CA 1.369 59.578 58.100 0.182 0.000 1.179 95 Y CB -0.386 38.064 38.460 -0.016 0.000 0.998 95 Y HN 0.095 nan 8.280 nan 0.000 0.532 96 T N 0.954 115.643 114.554 0.226 0.000 2.720 96 T HA -0.216 4.136 4.350 0.003 0.000 0.268 96 T C 2.097 176.885 174.700 0.147 0.000 1.037 96 T CA 1.808 64.053 62.100 0.240 0.000 1.144 96 T CB -0.564 68.492 68.868 0.313 0.000 0.864 96 T HN 0.274 nan 8.240 nan 0.000 0.444 97 L N 1.183 122.546 121.223 0.233 0.000 2.042 97 L HA -0.099 4.242 4.340 0.003 0.000 0.210 97 L C 2.555 179.534 176.870 0.182 0.000 1.076 97 L CA 1.187 56.184 54.840 0.261 0.000 0.749 97 L CB -0.583 41.723 42.059 0.413 0.000 0.893 97 L HN 0.277 nan 8.230 nan 0.000 0.432 98 V N -5.027 114.939 119.914 0.087 0.000 3.541 98 V HA 0.028 4.149 4.120 0.003 0.000 0.267 98 V C 1.804 177.788 176.094 -0.184 0.000 1.213 98 V CA 1.153 63.391 62.300 -0.103 0.000 1.149 98 V CB -0.519 31.102 31.823 -0.337 0.000 0.822 98 V HN 0.558 nan 8.190 nan 0.000 0.462 99 T N -4.401 109.962 114.554 -0.318 0.000 2.959 99 T HA 0.418 4.770 4.350 0.003 0.000 0.254 99 T C 1.724 175.996 174.700 -0.713 0.000 1.003 99 T CA 0.861 62.615 62.100 -0.576 0.000 0.950 99 T CB 0.478 68.981 68.868 -0.609 0.000 1.090 99 T HN 1.453 nan 8.240 nan 0.000 0.503 100 G N 1.653 110.288 108.800 -0.276 0.000 2.155 100 G HA2 -0.206 3.756 3.960 0.003 0.000 0.257 100 G HA3 -0.206 3.756 3.960 0.003 0.000 0.257 100 G C -0.139 174.727 174.900 -0.056 0.000 0.983 100 G CA 0.463 45.490 45.100 -0.123 0.000 0.676 100 G HN 0.655 nan 8.290 nan 0.000 0.528 101 L N 0.389 121.610 121.223 -0.003 0.000 2.334 101 L HA 0.615 4.957 4.340 0.003 0.000 0.276 101 L C 0.906 177.863 176.870 0.144 0.000 1.014 101 L CA -1.419 53.489 54.840 0.114 0.000 0.815 101 L CB 1.190 43.345 42.059 0.159 0.000 1.268 101 L HN -0.034 nan 8.230 nan 0.000 0.428 102 R N 2.285 122.818 120.500 0.054 0.000 2.643 102 R HA 0.099 4.441 4.340 0.003 0.000 0.270 102 R C -1.670 174.414 176.300 -0.360 0.000 1.061 102 R CA -1.693 54.358 56.100 -0.083 0.000 1.107 102 R CB 0.211 30.419 30.300 -0.153 0.000 0.999 102 R HN 0.319 nan 8.270 nan 0.000 0.460 103 P HA -0.175 nan 4.420 nan 0.000 0.216 103 P C 0.703 177.790 177.300 -0.355 0.000 1.150 103 P CA 1.274 63.962 63.100 -0.686 0.000 0.843 103 P CB 0.180 31.840 31.700 -0.067 0.000 0.787 104 D N -2.076 118.238 120.400 -0.144 0.000 2.265 104 D HA -0.175 4.467 4.640 0.003 0.000 0.208 104 D C 1.553 177.853 176.300 0.000 0.000 0.977 104 D CA 1.257 55.181 54.000 -0.126 0.000 0.871 104 D CB -0.286 40.408 40.800 -0.176 0.000 0.925 104 D HN 0.392 nan 8.370 nan 0.000 0.485 105 H N -2.551 116.512 119.070 -0.011 0.000 2.439 105 H HA 0.092 4.650 4.556 0.003 0.000 0.299 105 H C 1.802 177.208 175.328 0.131 0.000 1.033 105 H CA 0.766 56.855 56.048 0.069 0.000 1.348 105 H CB 0.063 29.848 29.762 0.039 0.000 1.449 105 H HN 0.398 nan 8.280 nan 0.000 0.544 106 H N -0.942 118.277 119.070 0.250 0.000 2.529 106 H HA 0.159 4.717 4.556 0.003 0.000 0.277 106 H C 1.459 176.890 175.328 0.172 0.000 0.999 106 H CA 0.600 56.797 56.048 0.249 0.000 1.256 106 H CB 0.425 30.370 29.762 0.306 0.000 1.402 106 H HN 0.506 nan 8.280 nan 0.000 0.566 107 G N 1.741 110.608 108.800 0.112 0.000 2.217 107 G HA2 -0.237 3.725 3.960 0.003 0.000 0.246 107 G HA3 -0.237 3.725 3.960 0.003 0.000 0.246 107 G C 0.275 175.057 174.900 -0.196 0.000 0.990 107 G CA 0.163 45.090 45.100 -0.287 0.000 0.627 107 G HN 0.333 nan 8.290 nan 0.000 0.522 108 I N 3.354 124.004 120.570 0.135 0.000 2.213 108 I HA 0.209 4.381 4.170 0.003 0.000 0.295 108 I C 1.982 178.152 176.117 0.088 0.000 1.172 108 I CA 0.270 61.526 61.300 -0.073 0.000 1.443 108 I CB 0.029 37.926 38.000 -0.171 0.000 1.491 108 I HN 0.298 nan 8.210 nan 0.000 0.652 109 V N 1.288 121.190 119.914 -0.019 0.000 3.541 109 V HA 0.196 4.317 4.120 0.003 0.000 0.267 109 V C 0.756 177.003 176.094 0.255 0.000 1.213 109 V CA 0.894 63.281 62.300 0.144 0.000 1.149 109 V CB -0.538 31.313 31.823 0.047 0.000 0.822 109 V HN 0.707 nan 8.190 nan 0.000 0.462 110 H N -0.530 118.556 119.070 0.026 0.000 2.932 110 H HA 0.352 4.910 4.556 0.003 0.000 0.307 110 H C 0.101 175.428 175.328 -0.001 0.000 1.391 110 H CA -0.235 55.821 56.048 0.014 0.000 1.130 110 H CB 1.628 31.404 29.762 0.023 0.000 1.836 110 H HN -0.062 nan 8.280 nan 0.000 0.522 111 N N -0.008 118.834 118.700 0.237 0.000 2.309 111 N HA -0.089 4.653 4.740 0.003 0.000 0.182 111 N C 0.138 175.799 175.510 0.250 0.000 1.018 111 N CA 0.826 53.986 53.050 0.184 0.000 0.876 111 N CB 0.251 38.789 38.487 0.085 0.000 0.972 111 N HN 0.252 nan 8.380 nan 0.000 0.434 112 S N -0.058 115.824 115.700 0.305 0.000 2.561 112 S HA 0.676 5.148 4.470 0.003 0.000 0.303 112 S C -0.786 173.839 174.600 0.042 0.000 1.110 112 S CA -0.628 57.671 58.200 0.165 0.000 1.034 112 S CB 0.608 63.841 63.200 0.055 0.000 1.010 112 S HN -0.024 nan 8.310 nan 0.000 0.482 113 M N 3.377 123.036 119.600 0.098 0.000 2.618 113 M HA 0.584 5.066 4.480 0.003 0.000 0.281 113 M C -0.860 175.559 176.300 0.198 0.000 1.267 113 M CA -0.771 54.579 55.300 0.083 0.000 0.845 113 M CB 2.646 35.253 32.600 0.012 0.000 1.732 113 M HN 0.468 nan 8.290 nan 0.000 0.461 114 R N 0.429 121.071 120.500 0.237 0.000 2.686 114 R HA 0.551 4.892 4.340 0.003 0.000 0.286 114 R C -1.617 174.871 176.300 0.313 0.000 0.969 114 R CA -0.841 55.436 56.100 0.295 0.000 0.898 114 R CB 2.159 32.562 30.300 0.173 0.000 1.183 114 R HN 0.607 nan 8.270 nan 0.000 0.456 115 D N 2.461 123.043 120.400 0.303 0.000 2.780 115 D HA 0.248 4.890 4.640 0.003 0.000 0.242 115 D C -2.041 174.287 176.300 0.048 0.000 1.135 115 D CA -2.092 51.965 54.000 0.095 0.000 0.859 115 D CB 2.694 43.370 40.800 -0.207 0.000 1.530 115 D HN 0.100 nan 8.370 nan 0.000 0.493 116 P HA -0.059 nan 4.420 nan 0.000 0.216 116 P C 1.078 178.375 177.300 -0.006 0.000 1.150 116 P CA 1.257 64.365 63.100 0.013 0.000 0.837 116 P CB 0.436 32.137 31.700 0.000 0.000 0.786 117 T N -0.949 113.573 114.554 -0.052 0.000 2.901 117 T HA 0.107 4.459 4.350 0.003 0.000 0.252 117 T C 1.613 176.273 174.700 -0.066 0.000 1.035 117 T CA 0.768 62.829 62.100 -0.064 0.000 1.142 117 T CB -0.555 68.254 68.868 -0.099 0.000 0.869 117 T HN 0.029 nan 8.240 nan 0.000 0.442 118 L N 0.419 121.554 121.223 -0.147 0.000 2.446 118 L HA 0.300 4.641 4.340 0.003 0.000 0.219 118 L C 1.752 178.716 176.870 0.157 0.000 1.116 118 L CA 0.212 54.976 54.840 -0.127 0.000 0.844 118 L CB -0.826 40.844 42.059 -0.649 0.000 0.970 118 L HN 0.513 nan 8.230 nan 0.000 0.457 119 G N 0.119 109.027 108.800 0.180 0.000 2.498 119 G HA2 -0.216 3.746 3.960 0.003 0.000 0.251 119 G HA3 -0.216 3.746 3.960 0.003 0.000 0.251 119 G C 0.183 175.357 174.900 0.456 0.000 1.170 119 G CA -0.460 44.802 45.100 0.269 0.000 0.944 119 G HN 0.455 nan 8.290 nan 0.000 0.567 120 G N -0.721 108.325 108.800 0.409 0.000 2.425 120 G HA2 0.715 4.677 3.960 0.003 0.000 0.302 120 G HA3 0.715 4.677 3.960 0.003 0.000 0.302 120 G C -1.126 173.937 174.900 0.272 0.000 1.159 120 G CA 0.204 45.559 45.100 0.425 0.000 0.865 120 G HN 1.355 nan 8.290 nan 0.000 0.515 121 F N 2.100 121.995 119.950 -0.091 0.000 2.557 121 F HA 0.682 5.211 4.527 0.003 0.000 0.316 121 F C -1.018 174.702 175.800 -0.133 0.000 1.141 121 F CA -1.136 56.517 58.000 -0.579 0.000 0.922 121 F CB 1.428 39.544 39.000 -1.475 0.000 1.194 121 F HN 0.724 nan 8.300 nan 0.000 0.443 122 W N 5.185 126.158 121.300 -0.545 0.000 3.025 122 W HA 0.488 5.150 4.660 0.004 0.000 0.343 122 W C -0.990 175.164 176.519 -0.608 0.000 1.246 122 W CA -1.075 56.031 57.345 -0.397 0.000 1.178 122 W CB 0.504 29.838 29.460 -0.211 0.000 1.463 122 W HN 0.408 nan 8.180 nan 0.000 0.578 123 L N 1.853 122.891 121.223 -0.310 0.000 2.191 123 L HA -0.129 4.212 4.340 0.003 0.000 0.212 123 L C 1.982 178.643 176.870 -0.347 0.000 1.103 123 L CA 1.923 56.458 54.840 -0.509 0.000 0.769 123 L CB -0.750 41.052 42.059 -0.429 0.000 0.908 123 L HN 0.681 nan 8.230 nan 0.000 0.438 124 S N -1.481 114.086 115.700 -0.221 0.000 2.597 124 S HA 0.037 4.509 4.470 0.003 0.000 0.224 124 S C 0.638 174.981 174.600 -0.428 0.000 0.955 124 S CA -0.406 57.695 58.200 -0.166 0.000 0.933 124 S CB -0.113 63.142 63.200 0.091 0.000 0.788 124 S HN 0.225 nan 8.310 nan 0.000 0.488 125 K N 2.618 122.426 120.400 -0.986 0.000 2.296 125 K HA 0.264 4.586 4.320 0.003 0.000 0.257 125 K C 1.175 177.400 176.600 -0.624 0.000 1.088 125 K CA 0.027 55.706 56.287 -1.012 0.000 0.980 125 K CB 0.310 31.718 32.500 -1.821 0.000 1.430 125 K HN 0.312 nan 8.250 nan 0.000 0.441 126 S N 2.730 118.221 115.700 -0.348 0.000 2.382 126 S HA -0.200 4.272 4.470 0.003 0.000 0.228 126 S C 1.502 176.027 174.600 -0.124 0.000 1.027 126 S CA 1.330 59.422 58.200 -0.181 0.000 0.991 126 S CB -0.164 62.967 63.200 -0.115 0.000 0.823 126 S HN 0.802 nan 8.310 nan 0.000 0.469 127 E N 2.011 122.129 120.200 -0.137 0.000 2.427 127 E HA 0.103 4.455 4.350 0.003 0.000 0.196 127 E C 1.817 178.415 176.600 -0.003 0.000 1.028 127 E CA 0.836 57.212 56.400 -0.039 0.000 0.864 127 E CB -0.338 29.350 29.700 -0.020 0.000 0.813 127 E HN 0.645 nan 8.360 nan 0.000 0.514 128 A N 1.510 124.236 122.820 -0.156 0.000 1.861 128 A HA 0.038 4.360 4.320 0.003 0.000 0.212 128 A C 2.487 179.997 177.584 -0.124 0.000 1.199 128 A CA 0.944 52.900 52.037 -0.134 0.000 0.613 128 A CB -0.655 18.020 19.000 -0.542 0.000 0.846 128 A HN 0.125 nan 8.150 nan 0.000 0.446 129 V N 0.218 119.913 119.914 -0.365 0.000 2.469 129 V HA -0.185 3.937 4.120 0.003 0.000 0.251 129 V C 2.469 178.764 176.094 0.335 0.000 1.064 129 V CA 1.930 64.241 62.300 0.018 0.000 1.066 129 V CB -1.094 30.683 31.823 -0.077 0.000 0.667 129 V HN 0.622 nan 8.190 nan 0.000 0.461 130 G N -0.943 107.953 108.800 0.160 0.000 2.985 130 G HA2 -0.042 3.920 3.960 0.003 0.000 0.209 130 G HA3 -0.042 3.920 3.960 0.003 0.000 0.209 130 G C 0.250 175.253 174.900 0.171 0.000 1.165 130 G CA 0.041 45.204 45.100 0.105 0.000 0.776 130 G HN 0.466 nan 8.290 nan 0.000 0.541 131 D N 0.747 121.365 120.400 0.363 0.000 2.359 131 D HA 0.480 5.122 4.640 0.003 0.000 0.230 131 D C 1.463 178.082 176.300 0.531 0.000 1.118 131 D CA -0.232 53.999 54.000 0.385 0.000 0.844 131 D CB 1.408 42.473 40.800 0.442 0.000 1.059 131 D HN -0.022 nan 8.370 nan 0.000 0.493 132 A N 4.868 127.888 122.820 0.333 0.000 2.084 132 A HA -0.202 4.120 4.320 0.003 0.000 0.221 132 A C 1.988 179.794 177.584 0.371 0.000 1.161 132 A CA 1.120 53.369 52.037 0.353 0.000 0.653 132 A CB -0.227 18.869 19.000 0.160 0.000 0.802 132 A HN 0.658 nan 8.150 nan 0.000 0.457 133 R N -1.999 118.636 120.500 0.226 0.000 2.237 133 R HA -0.161 4.181 4.340 0.003 0.000 0.219 133 R C 1.602 177.884 176.300 -0.030 0.000 1.080 133 R CA 1.276 57.406 56.100 0.049 0.000 0.995 133 R CB -0.261 29.990 30.300 -0.082 0.000 0.875 133 R HN 0.796 nan 8.270 nan 0.000 0.462 134 W N -0.517 120.819 121.300 0.060 0.000 2.467 134 W HA -0.059 4.603 4.660 0.003 0.000 0.275 134 W C 0.034 176.352 176.519 -0.336 0.000 1.239 134 W CA -0.024 57.181 57.345 -0.234 0.000 1.266 134 W CB 0.032 29.201 29.460 -0.484 0.000 1.112 134 W HN -0.009 nan 8.180 nan 0.000 0.576 135 W N 1.220 122.612 121.300 0.154 0.000 2.291 135 W HA 0.557 5.219 4.660 0.003 0.000 0.312 135 W C 0.629 177.243 176.519 0.158 0.000 1.061 135 W CA -0.994 56.357 57.345 0.010 0.000 1.296 135 W CB 0.197 29.571 29.460 -0.143 0.000 1.223 135 W HN -0.273 nan 8.180 nan 0.000 0.421 136 G N 1.410 110.470 108.800 0.432 0.000 2.547 136 G HA2 0.573 4.534 3.960 0.003 0.000 0.291 136 G HA3 0.573 4.534 3.960 0.003 0.000 0.291 136 G C 0.544 175.654 174.900 0.350 0.000 1.211 136 G CA 0.162 45.473 45.100 0.352 0.000 0.950 136 G HN 0.960 nan 8.290 nan 0.000 0.504 137 G N -0.711 108.197 108.800 0.180 0.000 2.645 137 G HA2 -0.149 3.813 3.960 0.003 0.000 0.246 137 G HA3 -0.149 3.813 3.960 0.003 0.000 0.246 137 G C -0.046 174.858 174.900 0.007 0.000 1.322 137 G CA 0.430 45.561 45.100 0.052 0.000 0.898 137 G HN 0.985 nan 8.290 nan 0.000 0.573 138 E N 0.926 121.051 120.200 -0.125 0.000 2.279 138 E HA 0.475 4.827 4.350 0.003 0.000 0.252 138 E C -2.504 173.914 176.600 -0.304 0.000 0.894 138 E CA -2.034 54.272 56.400 -0.157 0.000 0.785 138 E CB 2.005 31.648 29.700 -0.096 0.000 1.237 138 E HN 0.387 nan 8.360 nan 0.000 0.418 139 P HA -0.022 nan 4.420 nan 0.000 0.274 139 P C 1.271 178.187 177.300 -0.641 0.000 1.237 139 P CA -0.263 62.368 63.100 -0.782 0.000 0.793 139 P CB 1.135 31.941 31.700 -1.489 0.000 0.977 140 V N -0.820 118.837 119.914 -0.429 0.000 2.453 140 V HA -0.248 3.874 4.120 0.003 0.000 0.252 140 V C 2.054 178.055 176.094 -0.155 0.000 1.068 140 V CA 1.918 64.100 62.300 -0.195 0.000 1.070 140 V CB -2.233 29.505 31.823 -0.141 0.000 0.664 140 V HN 0.723 nan 8.190 nan 0.000 0.461 141 W N 0.473 121.721 121.300 -0.086 0.000 2.402 141 W HA 0.091 4.753 4.660 0.002 0.000 0.286 141 W C 1.929 178.416 176.519 -0.054 0.000 1.221 141 W CA 1.008 58.304 57.345 -0.082 0.000 1.257 141 W CB -1.499 27.896 29.460 -0.109 0.000 1.120 141 W HN 0.072 nan 8.180 nan 0.000 0.551 142 V N 2.428 122.252 119.914 -0.150 0.000 2.307 142 V HA -0.163 3.959 4.120 0.003 0.000 0.245 142 V C 2.658 178.737 176.094 -0.026 0.000 1.045 142 V CA 2.276 64.552 62.300 -0.042 0.000 1.024 142 V CB -1.569 30.176 31.823 -0.129 0.000 0.651 142 V HN 0.450 nan 8.190 nan 0.000 0.449 143 G N -0.116 108.647 108.800 -0.062 0.000 2.446 143 G HA2 -0.229 3.733 3.960 0.003 0.000 0.217 143 G HA3 -0.229 3.733 3.960 0.003 0.000 0.217 143 G C 1.683 176.571 174.900 -0.020 0.000 1.168 143 G CA 1.361 46.443 45.100 -0.031 0.000 0.771 143 G HN 0.368 nan 8.290 nan 0.000 0.551 144 V N 0.766 120.675 119.914 -0.009 0.000 2.261 144 V HA -0.148 3.974 4.120 0.003 0.000 0.246 144 V C 2.827 178.916 176.094 -0.008 0.000 1.047 144 V CA 2.095 64.392 62.300 -0.005 0.000 1.015 144 V CB -0.390 31.447 31.823 0.024 0.000 0.642 144 V HN 0.329 nan 8.190 nan 0.000 0.446 145 E N 0.316 120.538 120.200 0.037 0.000 2.160 145 E HA -0.194 4.158 4.350 0.003 0.000 0.195 145 E C 1.959 178.566 176.600 0.011 0.000 0.991 145 E CA 1.029 57.454 56.400 0.042 0.000 0.810 145 E CB -0.492 29.270 29.700 0.103 0.000 0.742 145 E HN 0.555 nan 8.360 nan 0.000 0.466 146 N N 0.427 119.132 118.700 0.008 0.000 2.512 146 N HA -0.078 4.663 4.740 0.003 0.000 0.183 146 N C 1.556 177.056 175.510 -0.017 0.000 1.073 146 N CA 1.244 54.294 53.050 -0.000 0.000 0.911 146 N CB -0.173 38.315 38.487 0.001 0.000 0.964 146 N HN 0.274 nan 8.380 nan 0.000 0.447 147 T N -3.995 110.539 114.554 -0.033 0.000 3.107 147 T HA 0.310 4.662 4.350 0.003 0.000 0.249 147 T C 1.327 175.985 174.700 -0.070 0.000 1.096 147 T CA 0.449 62.521 62.100 -0.046 0.000 1.012 147 T CB 0.208 69.046 68.868 -0.050 0.000 0.977 147 T HN 0.211 nan 8.240 nan 0.000 0.527 148 G N 0.832 109.580 108.800 -0.086 0.000 2.176 148 G HA2 -0.243 3.719 3.960 0.003 0.000 0.253 148 G HA3 -0.243 3.719 3.960 0.003 0.000 0.253 148 G C -0.070 174.637 174.900 -0.321 0.000 0.979 148 G CA 0.189 45.208 45.100 -0.135 0.000 0.641 148 G HN 0.666 nan 8.290 nan 0.000 0.530 149 Q N -0.323 119.298 119.800 -0.298 0.000 2.171 149 Q HA 0.652 4.994 4.340 0.003 0.000 0.217 149 Q C -0.197 175.506 176.000 -0.494 0.000 0.995 149 Q CA -0.683 54.880 55.803 -0.400 0.000 0.979 149 Q CB 0.846 29.484 28.738 -0.166 0.000 1.152 149 Q HN 0.526 nan 8.270 nan 0.000 0.525 150 H N -1.143 117.930 119.070 0.005 0.000 2.690 150 H HA 0.681 5.238 4.556 0.002 0.000 0.368 150 H C -1.210 174.111 175.328 -0.011 0.000 1.150 150 H CA -0.785 55.260 56.048 -0.005 0.000 1.174 150 H CB 1.874 31.624 29.762 -0.019 0.000 1.684 150 H HN 0.710 nan 8.280 nan 0.000 0.538 151 A N 1.044 123.932 122.820 0.113 0.000 2.365 151 A HA 0.773 5.095 4.320 0.003 0.000 0.318 151 A C -0.860 176.656 177.584 -0.114 0.000 1.091 151 A CA -0.469 51.585 52.037 0.029 0.000 0.763 151 A CB 1.258 20.315 19.000 0.096 0.000 1.248 151 A HN 0.756 nan 8.150 nan 0.000 0.442 152 A N 1.600 124.301 122.820 -0.199 0.000 2.335 152 A HA 0.778 5.100 4.320 0.003 0.000 0.304 152 A C -0.132 177.238 177.584 -0.357 0.000 1.118 152 A CA -0.045 51.681 52.037 -0.518 0.000 0.757 152 A CB 0.781 19.258 19.000 -0.871 0.000 1.188 152 A HN 1.623 nan 8.150 nan 0.000 0.460 153 T N -0.568 113.764 114.554 -0.369 0.000 2.812 153 T HA 0.477 4.829 4.350 0.003 0.000 0.282 153 T C -0.572 174.204 174.700 0.127 0.000 0.990 153 T CA -0.377 61.667 62.100 -0.093 0.000 0.960 153 T CB 1.181 69.874 68.868 -0.290 0.000 0.948 153 T HN 0.735 nan 8.240 nan 0.000 0.438 154 W N 5.328 126.788 121.300 0.267 0.000 2.120 154 W HA 0.343 5.004 4.660 0.003 0.000 0.371 154 W C 0.551 177.197 176.519 0.213 0.000 0.865 154 W CA 0.059 57.591 57.345 0.313 0.000 1.529 154 W CB -0.500 29.158 29.460 0.330 0.000 1.623 154 W HN 1.355 nan 8.180 nan 0.000 0.325 155 S N 2.780 118.477 115.700 -0.004 0.000 3.787 155 S HA -0.237 4.235 4.470 0.003 0.000 0.321 155 S C -0.210 174.252 174.600 -0.230 0.000 1.119 155 S CA 0.190 58.335 58.200 -0.091 0.000 0.918 155 S CB -2.266 60.969 63.200 0.058 0.000 0.913 155 S HN 0.558 nan 8.310 nan 0.000 0.506 156 W N 2.335 123.464 121.300 -0.285 0.000 2.287 156 W HA 0.437 5.098 4.660 0.003 0.000 0.313 156 W C -2.653 173.618 176.519 -0.415 0.000 1.267 156 W CA -2.019 55.154 57.345 -0.288 0.000 1.201 156 W CB 0.650 30.060 29.460 -0.083 0.000 1.196 156 W HN 0.147 nan 8.180 nan 0.000 0.536 157 P HA 0.025 nan 4.420 nan 0.000 0.258 157 P C 0.574 177.716 177.300 -0.263 0.000 1.172 157 P CA 2.270 64.964 63.100 -0.677 0.000 0.762 157 P CB 0.262 31.263 31.700 -1.164 0.000 0.764 158 G N 2.741 111.074 108.800 -0.779 0.000 2.259 158 G HA2 -0.290 3.672 3.960 0.003 0.000 0.217 158 G HA3 -0.290 3.672 3.960 0.003 0.000 0.217 158 G C 1.190 175.703 174.900 -0.643 0.000 1.001 158 G CA 0.360 44.633 45.100 -1.379 0.000 0.627 158 G HN 0.568 nan 8.290 nan 0.000 0.501 159 S N 0.287 115.641 115.700 -0.577 0.000 2.555 159 S HA 0.159 4.631 4.470 0.003 0.000 0.230 159 S C 1.408 175.524 174.600 -0.806 0.000 0.978 159 S CA 1.402 59.075 58.200 -0.879 0.000 0.934 159 S CB -0.043 62.596 63.200 -0.934 0.000 0.766 159 S HN 0.621 nan 8.310 nan 0.000 0.533 160 E N 0.937 120.744 120.200 -0.656 0.000 2.479 160 E HA 0.380 4.732 4.350 0.003 0.000 0.193 160 E C 0.649 176.816 176.600 -0.723 0.000 1.049 160 E CA 0.156 56.116 56.400 -0.733 0.000 0.870 160 E CB 0.349 29.842 29.700 -0.345 0.000 0.944 160 E HN 0.685 nan 8.360 nan 0.000 0.492 161 A N 0.988 123.438 122.820 -0.616 0.000 2.288 161 A HA 0.717 5.038 4.320 0.003 0.000 0.328 161 A C -0.290 177.072 177.584 -0.369 0.000 1.123 161 A CA -0.520 51.274 52.037 -0.405 0.000 0.861 161 A CB 1.085 19.883 19.000 -0.337 0.000 1.272 161 A HN 0.117 nan 8.150 nan 0.000 0.490 162 A N 1.436 124.140 122.820 -0.193 0.000 3.095 162 A HA 0.544 4.865 4.320 0.003 0.000 0.301 162 A C -0.115 177.461 177.584 -0.013 0.000 1.432 162 A CA -0.271 51.701 52.037 -0.109 0.000 1.140 162 A CB -1.013 17.946 19.000 -0.068 0.000 1.174 162 A HN 0.615 nan 8.150 nan 0.000 0.546 163 I N 1.344 121.922 120.570 0.013 0.000 2.556 163 I HA 0.038 4.210 4.170 0.003 0.000 0.284 163 I C 0.652 176.806 176.117 0.062 0.000 1.114 163 I CA -0.116 61.226 61.300 0.070 0.000 1.418 163 I CB 0.634 38.689 38.000 0.092 0.000 1.394 163 I HN 0.657 nan 8.210 nan 0.000 0.552 164 K N 4.726 125.167 120.400 0.069 0.000 2.975 164 K HA -0.265 4.057 4.320 0.003 0.000 0.257 164 K C 0.950 177.572 176.600 0.036 0.000 1.005 164 K CA 0.584 56.899 56.287 0.047 0.000 0.738 164 K CB -1.756 30.763 32.500 0.031 0.000 1.236 164 K HN 1.219 nan 8.250 nan 0.000 0.483 165 G N -1.314 107.508 108.800 0.036 0.000 2.179 165 G HA2 -0.309 3.653 3.960 0.003 0.000 0.260 165 G HA3 -0.309 3.653 3.960 0.003 0.000 0.260 165 G C 0.061 174.975 174.900 0.023 0.000 0.977 165 G CA 0.180 45.297 45.100 0.027 0.000 0.641 165 G HN 0.253 nan 8.290 nan 0.000 0.533 166 V N 1.926 121.858 119.914 0.031 0.000 2.376 166 V HA 0.506 4.628 4.120 0.003 0.000 0.287 166 V C 0.696 176.819 176.094 0.048 0.000 1.015 166 V CA -0.938 61.390 62.300 0.046 0.000 0.834 166 V CB 1.290 33.151 31.823 0.063 0.000 1.001 166 V HN 0.389 nan 8.190 nan 0.000 0.428 167 R N 4.572 125.061 120.500 -0.017 0.000 2.560 167 R HA 0.451 4.792 4.340 0.003 0.000 0.270 167 R C -2.444 173.829 176.300 -0.045 0.000 1.074 167 R CA -1.641 54.372 56.100 -0.145 0.000 1.140 167 R CB 0.686 30.846 30.300 -0.234 0.000 1.073 167 R HN 0.395 nan 8.270 nan 0.000 0.527 168 P HA 0.051 nan 4.420 nan 0.000 0.270 168 P C 0.005 177.342 177.300 0.061 0.000 1.223 168 P CA -0.015 63.034 63.100 -0.085 0.000 0.785 168 P CB 0.645 32.153 31.700 -0.320 0.000 0.923 169 S N -0.704 114.999 115.700 0.004 0.000 2.368 169 S HA -0.095 4.377 4.470 0.003 0.000 0.224 169 S C 0.699 175.222 174.600 -0.129 0.000 1.029 169 S CA 1.250 59.416 58.200 -0.055 0.000 0.988 169 S CB -0.219 62.892 63.200 -0.149 0.000 0.838 169 S HN 0.524 nan 8.310 nan 0.000 0.462 170 Q N 0.371 120.016 119.800 -0.259 0.000 2.353 170 Q HA 0.444 4.786 4.340 0.003 0.000 0.268 170 Q C -0.739 175.074 176.000 -0.311 0.000 1.045 170 Q CA -0.477 55.058 55.803 -0.447 0.000 0.811 170 Q CB 2.219 30.377 28.738 -0.966 0.000 1.305 170 Q HN 0.590 nan 8.270 nan 0.000 0.447 171 W N 1.138 122.208 121.300 -0.384 0.000 2.982 171 W HA 0.624 5.285 4.660 0.002 0.000 0.344 171 W C -1.454 174.870 176.519 -0.324 0.000 1.215 171 W CA -0.776 56.340 57.345 -0.382 0.000 1.182 171 W CB 0.926 30.126 29.460 -0.433 0.000 1.437 171 W HN 0.695 nan 8.180 nan 0.000 0.570 172 R N 0.413 120.853 120.500 -0.100 0.000 2.734 172 R HA 0.384 4.726 4.340 0.003 0.000 0.271 172 R C -1.260 174.977 176.300 -0.106 0.000 1.021 172 R CA -0.880 55.056 56.100 -0.273 0.000 0.893 172 R CB 1.725 31.784 30.300 -0.402 0.000 1.244 172 R HN 0.551 nan 8.270 nan 0.000 0.464 173 H N 1.348 120.423 119.070 0.008 0.000 2.767 173 H HA 0.041 4.598 4.556 0.003 0.000 0.316 173 H C -0.729 174.583 175.328 -0.028 0.000 1.059 173 H CA 0.090 56.164 56.048 0.043 0.000 1.461 173 H CB 0.507 30.287 29.762 0.030 0.000 1.475 173 H HN 0.468 nan 8.280 nan 0.000 0.531 174 Y N 3.429 123.727 120.300 -0.004 0.000 2.544 174 Y HA 0.056 4.608 4.550 0.003 0.000 0.330 174 Y C -0.156 175.751 175.900 0.012 0.000 1.136 174 Y CA -0.031 58.042 58.100 -0.045 0.000 1.417 174 Y CB 0.352 38.783 38.460 -0.047 0.000 1.229 174 Y HN 0.558 nan 8.280 nan 0.000 0.532 175 Q N 4.703 124.119 119.800 -0.640 0.000 2.413 175 Q HA 0.386 4.727 4.340 0.003 0.000 0.276 175 Q C -1.150 174.446 176.000 -0.674 0.000 1.099 175 Q CA -0.987 54.514 55.803 -0.503 0.000 0.814 175 Q CB 1.416 30.027 28.738 -0.213 0.000 1.379 175 Q HN 0.547 nan 8.270 nan 0.000 0.436 176 K N 0.404 120.579 120.400 -0.376 0.000 2.258 176 K HA 0.403 4.725 4.320 0.003 0.000 0.264 176 K C 0.543 177.083 176.600 -0.101 0.000 1.007 176 K CA 0.722 56.883 56.287 -0.209 0.000 0.941 176 K CB 0.399 32.864 32.500 -0.058 0.000 0.966 176 K HN 0.899 nan 8.250 nan 0.000 0.480 177 G N 0.251 109.037 108.800 -0.025 0.000 2.160 177 G HA2 -0.234 3.728 3.960 0.003 0.000 0.251 177 G HA3 -0.234 3.728 3.960 0.003 0.000 0.251 177 G C 0.123 175.066 174.900 0.071 0.000 1.008 177 G CA 0.159 45.279 45.100 0.034 0.000 0.724 177 G HN 0.329 nan 8.290 nan 0.000 0.514 178 V N 0.521 120.495 119.914 0.099 0.000 2.715 178 V HA 0.278 4.399 4.120 0.003 0.000 0.299 178 V C 1.508 177.703 176.094 0.168 0.000 1.054 178 V CA -0.167 62.227 62.300 0.158 0.000 1.077 178 V CB 0.884 32.882 31.823 0.293 0.000 0.972 178 V HN 0.500 nan 8.190 nan 0.000 0.484 179 R N 2.888 123.452 120.500 0.107 0.000 2.694 179 R HA 0.200 4.542 4.340 0.003 0.000 0.268 179 R C 1.206 177.527 176.300 0.035 0.000 1.061 179 R CA -0.368 55.776 56.100 0.073 0.000 1.133 179 R CB 0.271 30.586 30.300 0.026 0.000 1.020 179 R HN 0.580 nan 8.270 nan 0.000 0.475 180 L N 1.435 122.673 121.223 0.025 0.000 2.046 180 L HA -0.233 4.109 4.340 0.003 0.000 0.208 180 L C 2.079 178.907 176.870 -0.070 0.000 1.077 180 L CA 1.433 56.274 54.840 0.002 0.000 0.747 180 L CB -0.504 41.537 42.059 -0.030 0.000 0.896 180 L HN 0.806 nan 8.230 nan 0.000 0.432 181 D N -1.252 119.103 120.400 -0.075 0.000 2.178 181 D HA -0.158 4.483 4.640 0.003 0.000 0.202 181 D C 1.810 178.009 176.300 -0.168 0.000 0.974 181 D CA 1.639 55.575 54.000 -0.105 0.000 0.841 181 D CB -0.546 40.210 40.800 -0.075 0.000 0.953 181 D HN 0.196 nan 8.370 nan 0.000 0.478 182 T N 1.438 115.895 114.554 -0.162 0.000 2.684 182 T HA -0.203 4.149 4.350 0.003 0.000 0.267 182 T C 2.092 176.501 174.700 -0.485 0.000 1.036 182 T CA 2.261 64.240 62.100 -0.202 0.000 1.148 182 T CB -0.234 68.593 68.868 -0.069 0.000 0.863 182 T HN 0.457 nan 8.240 nan 0.000 0.436 183 R N 0.829 120.889 120.500 -0.732 0.000 2.090 183 R HA 0.077 4.419 4.340 0.003 0.000 0.228 183 R C 2.287 178.067 176.300 -0.866 0.000 1.110 183 R CA 0.887 56.113 56.100 -1.455 0.000 0.973 183 R CB -0.971 28.272 30.300 -1.761 0.000 0.869 183 R HN 0.212 nan 8.270 nan 0.000 0.440 184 V N 2.556 122.179 119.914 -0.486 0.000 2.343 184 V HA -0.216 3.906 4.120 0.003 0.000 0.247 184 V C 1.543 177.472 176.094 -0.275 0.000 1.051 184 V CA 2.212 64.345 62.300 -0.278 0.000 1.036 184 V CB -0.490 31.260 31.823 -0.121 0.000 0.654 184 V HN 0.318 nan 8.190 nan 0.000 0.451 185 D N 0.198 120.428 120.400 -0.284 0.000 2.178 185 D HA -0.061 4.581 4.640 0.003 0.000 0.202 185 D C 2.198 178.294 176.300 -0.341 0.000 0.974 185 D CA 1.436 55.290 54.000 -0.242 0.000 0.841 185 D CB -0.330 40.359 40.800 -0.185 0.000 0.953 185 D HN 0.430 nan 8.370 nan 0.000 0.478 186 A N 0.568 123.087 122.820 -0.502 0.000 1.877 186 A HA -0.143 4.179 4.320 0.003 0.000 0.216 186 A C 2.496 179.467 177.584 -1.020 0.000 1.186 186 A CA 1.231 52.791 52.037 -0.796 0.000 0.620 186 A CB -0.823 17.685 19.000 -0.820 0.000 0.822 186 A HN 0.140 nan 8.150 nan 0.000 0.443 187 V N 0.013 119.544 119.914 -0.637 0.000 2.343 187 V HA -0.258 3.863 4.120 0.003 0.000 0.247 187 V C 2.661 178.708 176.094 -0.079 0.000 1.051 187 V CA 2.298 64.481 62.300 -0.194 0.000 1.036 187 V CB -0.788 31.008 31.823 -0.045 0.000 0.654 187 V HN 0.652 nan 8.190 nan 0.000 0.451 188 R N 0.078 120.494 120.500 -0.140 0.000 2.091 188 R HA -0.162 4.180 4.340 0.003 0.000 0.238 188 R C 2.353 178.620 176.300 -0.055 0.000 1.136 188 R CA 1.866 57.924 56.100 -0.071 0.000 0.959 188 R CB -0.787 29.459 30.300 -0.089 0.000 0.856 188 R HN 0.551 nan 8.270 nan 0.000 0.437 189 G N 0.279 108.991 108.800 -0.147 0.000 2.446 189 G HA2 -0.249 3.713 3.960 0.003 0.000 0.217 189 G HA3 -0.249 3.713 3.960 0.003 0.000 0.217 189 G C 0.899 175.836 174.900 0.063 0.000 1.168 189 G CA 0.674 45.715 45.100 -0.098 0.000 0.771 189 G HN 0.379 nan 8.290 nan 0.000 0.551 190 W N 0.627 121.949 121.300 0.038 0.000 2.425 190 W HA 0.161 4.823 4.660 0.003 0.000 0.277 190 W C 2.415 178.962 176.519 0.047 0.000 1.231 190 W CA 0.178 57.551 57.345 0.047 0.000 1.248 190 W CB -0.905 28.595 29.460 0.067 0.000 1.117 190 W HN 0.179 nan 8.180 nan 0.000 0.568 191 L N -0.180 121.194 121.223 0.252 0.000 2.240 191 L HA -0.041 4.301 4.340 0.003 0.000 0.211 191 L C 2.465 179.406 176.870 0.118 0.000 1.106 191 L CA 1.148 56.085 54.840 0.162 0.000 0.793 191 L CB -0.807 41.322 42.059 0.118 0.000 0.927 191 L HN -0.157 nan 8.230 nan 0.000 0.446 192 A N -0.681 122.201 122.820 0.103 0.000 2.132 192 A HA 0.030 4.351 4.320 0.003 0.000 0.213 192 A C 1.262 178.894 177.584 0.081 0.000 1.154 192 A CA 0.538 52.618 52.037 0.073 0.000 0.753 192 A CB -0.626 18.401 19.000 0.046 0.000 0.826 192 A HN 0.398 nan 8.150 nan 0.000 0.469 193 T N 0.806 115.427 114.554 0.110 0.000 2.940 193 T HA 0.390 4.741 4.350 0.003 0.000 0.309 193 T C -0.237 174.515 174.700 0.086 0.000 1.056 193 T CA 0.087 62.248 62.100 0.102 0.000 1.137 193 T CB 0.727 69.674 68.868 0.132 0.000 0.976 193 T HN 0.472 nan 8.240 nan 0.000 0.547 194 D N 0.255 120.696 120.400 0.069 0.000 2.727 194 D HA 0.673 5.315 4.640 0.003 0.000 0.264 194 D C 0.928 177.264 176.300 0.059 0.000 1.101 194 D CA -0.030 54.007 54.000 0.061 0.000 1.122 194 D CB 0.385 41.214 40.800 0.048 0.000 1.390 194 D HN 1.021 nan 8.370 nan 0.000 0.606 195 G N -0.380 108.452 108.800 0.053 0.000 2.564 195 G HA2 -0.063 3.898 3.960 0.003 0.000 0.273 195 G HA3 -0.063 3.898 3.960 0.003 0.000 0.273 195 G C 0.956 175.900 174.900 0.073 0.000 1.242 195 G CA 1.612 46.743 45.100 0.051 0.000 0.951 195 G HN 1.360 nan 8.290 nan 0.000 0.564 196 A N -1.131 121.731 122.820 0.070 0.000 2.209 196 A HA 0.277 4.598 4.320 0.003 0.000 0.212 196 A C 1.897 179.541 177.584 0.101 0.000 1.158 196 A CA 2.285 54.386 52.037 0.107 0.000 0.742 196 A CB -0.176 18.868 19.000 0.073 0.000 0.790 196 A HN 0.705 nan 8.150 nan 0.000 0.472 197 Q N -0.554 119.278 119.800 0.055 0.000 2.175 197 Q HA 0.223 4.565 4.340 0.003 0.000 0.225 197 Q C 0.409 176.461 176.000 0.087 0.000 0.837 197 Q CA -0.122 55.678 55.803 -0.004 0.000 1.032 197 Q CB 0.232 28.958 28.738 -0.020 0.000 1.137 197 Q HN 0.571 nan 8.270 nan 0.000 0.483 198 R N 1.475 122.069 120.500 0.156 0.000 2.491 198 R HA 0.157 4.499 4.340 0.003 0.000 0.283 198 R C -0.826 175.574 176.300 0.166 0.000 1.072 198 R CA -0.013 56.171 56.100 0.139 0.000 1.048 198 R CB 0.499 30.863 30.300 0.107 0.000 0.983 198 R HN 0.099 nan 8.270 nan 0.000 0.450 199 N N 3.527 122.304 118.700 0.127 0.000 2.444 199 N HA 0.080 4.821 4.740 0.003 0.000 0.262 199 N C 0.279 175.842 175.510 0.087 0.000 0.974 199 N CA -0.335 52.783 53.050 0.112 0.000 0.933 199 N CB 1.891 40.433 38.487 0.093 0.000 1.137 199 N HN 0.534 nan 8.380 nan 0.000 0.498 200 R N 1.826 122.363 120.500 0.062 0.000 2.115 200 R HA 0.126 4.468 4.340 0.003 0.000 0.226 200 R C -0.121 176.209 176.300 0.050 0.000 1.100 200 R CA 1.018 57.144 56.100 0.043 0.000 0.980 200 R CB -0.092 30.213 30.300 0.008 0.000 0.875 200 R HN 0.516 nan 8.270 nan 0.000 0.445 201 L N 0.283 121.539 121.223 0.055 0.000 2.385 201 L HA 0.551 4.892 4.340 0.003 0.000 0.273 201 L C -1.603 175.309 176.870 0.069 0.000 0.990 201 L CA -0.831 54.043 54.840 0.057 0.000 0.821 201 L CB 2.417 44.507 42.059 0.052 0.000 1.279 201 L HN -0.171 nan 8.230 nan 0.000 0.412 202 V N 3.094 123.069 119.914 0.101 0.000 2.588 202 V HA 0.719 4.841 4.120 0.003 0.000 0.304 202 V C -0.142 176.061 176.094 0.181 0.000 1.042 202 V CA -0.260 62.135 62.300 0.160 0.000 0.877 202 V CB 2.093 34.061 31.823 0.241 0.000 0.996 202 V HN 0.883 nan 8.190 nan 0.000 0.425 203 T N 2.770 117.460 114.554 0.226 0.000 2.885 203 T HA 0.861 5.213 4.350 0.003 0.000 0.285 203 T C -1.150 173.811 174.700 0.435 0.000 1.019 203 T CA -0.717 61.562 62.100 0.299 0.000 1.010 203 T CB 1.895 70.917 68.868 0.257 0.000 1.022 203 T HN 0.551 nan 8.240 nan 0.000 0.466 204 L N 2.414 123.908 121.223 0.452 0.000 2.422 204 L HA 0.805 5.147 4.340 0.003 0.000 0.264 204 L C -1.977 175.105 176.870 0.353 0.000 0.984 204 L CA -1.025 54.008 54.840 0.323 0.000 0.819 204 L CB 2.095 44.231 42.059 0.129 0.000 1.330 204 L HN 0.911 nan 8.230 nan 0.000 0.410 205 Y N 4.001 124.325 120.300 0.040 0.000 2.457 205 Y HA 0.744 5.296 4.550 0.003 0.000 0.343 205 Y C -1.992 173.811 175.900 -0.161 0.000 0.994 205 Y CA -1.041 57.075 58.100 0.028 0.000 1.031 205 Y CB 1.695 40.173 38.460 0.030 0.000 1.246 205 Y HN 0.505 nan 8.280 nan 0.000 0.449 206 F N 5.083 124.670 119.950 -0.604 0.000 2.507 206 F HA 0.337 4.866 4.527 0.003 0.000 0.325 206 F C 0.811 176.181 175.800 -0.716 0.000 1.116 206 F CA -0.736 57.035 58.000 -0.382 0.000 0.930 206 F CB 1.957 40.900 39.000 -0.094 0.000 1.146 206 F HN 0.627 nan 8.300 nan 0.000 0.447 207 E N 1.348 121.437 120.200 -0.186 0.000 2.472 207 E HA -0.041 4.311 4.350 0.003 0.000 0.196 207 E C 0.697 177.298 176.600 0.002 0.000 1.033 207 E CA 0.791 57.136 56.400 -0.091 0.000 0.886 207 E CB -0.303 29.481 29.700 0.139 0.000 0.944 207 E HN 0.769 nan 8.360 nan 0.000 0.492 208 H N 1.000 120.107 119.070 0.062 0.000 2.389 208 H HA -0.004 4.554 4.556 0.003 0.000 0.299 208 H C 2.160 177.485 175.328 -0.006 0.000 1.081 208 H CA 1.544 57.623 56.048 0.052 0.000 1.345 208 H CB -0.076 29.703 29.762 0.028 0.000 1.393 208 H HN -0.011 nan 8.280 nan 0.000 0.520 209 V N 0.566 120.500 119.914 0.034 0.000 2.358 209 V HA -0.221 3.901 4.120 0.003 0.000 0.246 209 V C 2.085 178.177 176.094 -0.003 0.000 1.047 209 V CA 2.075 64.277 62.300 -0.163 0.000 1.035 209 V CB -0.402 31.233 31.823 -0.312 0.000 0.658 209 V HN 0.433 nan 8.190 nan 0.000 0.452 210 D N 0.133 120.588 120.400 0.091 0.000 2.097 210 D HA -0.207 4.435 4.640 0.003 0.000 0.195 210 D C 2.150 178.620 176.300 0.283 0.000 0.989 210 D CA 1.662 55.783 54.000 0.202 0.000 0.827 210 D CB -0.055 40.904 40.800 0.265 0.000 0.966 210 D HN 0.538 nan 8.370 nan 0.000 0.456 211 E N -0.122 120.232 120.200 0.257 0.000 2.077 211 E HA -0.183 4.169 4.350 0.003 0.000 0.193 211 E C 2.172 178.916 176.600 0.240 0.000 0.989 211 E CA 0.971 57.528 56.400 0.261 0.000 0.800 211 E CB -0.208 29.590 29.700 0.162 0.000 0.746 211 E HN 0.390 nan 8.360 nan 0.000 0.452 212 A N 1.236 124.189 122.820 0.222 0.000 1.930 212 A HA -0.079 4.243 4.320 0.003 0.000 0.217 212 A C 2.411 180.193 177.584 0.330 0.000 1.175 212 A CA 1.626 53.829 52.037 0.277 0.000 0.627 212 A CB -0.991 18.140 19.000 0.218 0.000 0.815 212 A HN 0.353 nan 8.150 nan 0.000 0.443 213 G N -1.258 107.764 108.800 0.370 0.000 2.421 213 G HA2 -0.238 3.724 3.960 0.003 0.000 0.216 213 G HA3 -0.238 3.724 3.960 0.003 0.000 0.216 213 G C 1.518 176.462 174.900 0.075 0.000 1.171 213 G CA 1.045 46.314 45.100 0.282 0.000 0.775 213 G HN 0.650 nan 8.290 nan 0.000 0.543 214 H N 1.000 120.163 119.070 0.155 0.000 2.321 214 H HA -0.062 4.496 4.556 0.003 0.000 0.300 214 H C 2.204 177.519 175.328 -0.022 0.000 1.087 214 H CA 1.600 57.688 56.048 0.066 0.000 1.319 214 H CB -0.083 29.718 29.762 0.064 0.000 1.379 214 H HN 0.260 nan 8.280 nan 0.000 0.501 215 D N -0.496 119.936 120.400 0.053 0.000 2.224 215 D HA -0.076 4.566 4.640 0.003 0.000 0.205 215 D C 1.436 177.414 176.300 -0.537 0.000 0.965 215 D CA 1.129 54.965 54.000 -0.272 0.000 0.852 215 D CB 0.090 40.654 40.800 -0.393 0.000 0.947 215 D HN 0.567 nan 8.370 nan 0.000 0.494 216 H N -1.811 117.309 119.070 0.083 0.000 3.771 216 H HA 0.387 4.945 4.556 0.003 0.000 0.260 216 H C 1.002 176.340 175.328 0.015 0.000 1.158 216 H CA 0.635 56.714 56.048 0.051 0.000 1.170 216 H CB 1.420 31.223 29.762 0.068 0.000 1.539 216 H HN 0.098 nan 8.280 nan 0.000 0.634 217 G N 2.261 111.110 108.800 0.081 0.000 2.663 217 G HA2 -0.169 3.792 3.960 0.003 0.000 0.686 217 G HA3 -0.169 3.792 3.960 0.003 0.000 0.686 217 G C -2.082 172.733 174.900 -0.142 0.000 1.246 217 G CA -0.308 44.770 45.100 -0.036 0.000 0.795 217 G HN -0.023 nan 8.290 nan 0.000 0.627 218 P HA 0.050 nan 4.420 nan 0.000 0.229 218 P C 0.869 177.896 177.300 -0.454 0.000 1.160 218 P CA 1.120 63.733 63.100 -0.811 0.000 0.777 218 P CB 0.301 31.600 31.700 -0.669 0.000 0.814 219 E N 0.196 120.279 120.200 -0.195 0.000 2.479 219 E HA 0.057 4.409 4.350 0.003 0.000 0.193 219 E C 0.894 177.486 176.600 -0.013 0.000 1.049 219 E CA 0.123 56.475 56.400 -0.081 0.000 0.870 219 E CB -0.149 29.511 29.700 -0.066 0.000 0.944 219 E HN 0.321 nan 8.360 nan 0.000 0.492 220 S N 1.010 116.720 115.700 0.016 0.000 2.603 220 S HA 0.182 4.654 4.470 0.003 0.000 0.268 220 S C 1.208 175.848 174.600 0.068 0.000 1.317 220 S CA -0.607 57.623 58.200 0.051 0.000 1.012 220 S CB 1.703 64.961 63.200 0.097 0.000 0.926 220 S HN 0.137 nan 8.310 nan 0.000 0.539 221 R N 1.294 121.806 120.500 0.020 0.000 2.148 221 R HA -0.068 4.274 4.340 0.003 0.000 0.227 221 R C 1.760 178.069 176.300 0.015 0.000 1.103 221 R CA 1.487 57.594 56.100 0.012 0.000 0.983 221 R CB -0.929 29.360 30.300 -0.018 0.000 0.874 221 R HN 0.672 nan 8.270 nan 0.000 0.451 222 Q N -0.259 119.536 119.800 -0.008 0.000 2.079 222 Q HA -0.113 4.229 4.340 0.003 0.000 0.200 222 Q C 1.724 177.789 176.000 0.109 0.000 0.974 222 Q CA 1.785 57.590 55.803 0.004 0.000 0.840 222 Q CB -0.458 28.222 28.738 -0.096 0.000 0.898 222 Q HN 0.538 nan 8.270 nan 0.000 0.430 223 Y N 0.433 120.755 120.300 0.037 0.000 2.200 223 Y HA -0.203 4.349 4.550 0.003 0.000 0.290 223 Y C 2.133 178.040 175.900 0.012 0.000 1.137 223 Y CA 1.397 59.521 58.100 0.041 0.000 1.163 223 Y CB -0.336 38.149 38.460 0.040 0.000 0.988 223 Y HN 0.112 nan 8.280 nan 0.000 0.518 224 A N 0.017 122.937 122.820 0.166 0.000 1.933 224 A HA -0.189 4.133 4.320 0.003 0.000 0.218 224 A C 1.879 179.444 177.584 -0.031 0.000 1.175 224 A CA 1.968 54.040 52.037 0.059 0.000 0.628 224 A CB -0.785 18.259 19.000 0.074 0.000 0.814 224 A HN 0.527 nan 8.150 nan 0.000 0.444 225 D N 0.098 120.485 120.400 -0.022 0.000 2.144 225 D HA -0.046 4.595 4.640 0.003 0.000 0.199 225 D C 2.208 178.461 176.300 -0.078 0.000 0.984 225 D CA 1.472 55.446 54.000 -0.043 0.000 0.834 225 D CB -0.386 40.398 40.800 -0.027 0.000 0.955 225 D HN 0.430 nan 8.370 nan 0.000 0.465 226 A N 0.513 123.278 122.820 -0.092 0.000 1.898 226 A HA -0.113 4.209 4.320 0.003 0.000 0.216 226 A C 2.523 179.980 177.584 -0.212 0.000 1.181 226 A CA 1.069 53.032 52.037 -0.124 0.000 0.620 226 A CB -0.686 18.256 19.000 -0.098 0.000 0.819 226 A HN 0.134 nan 8.150 nan 0.000 0.442 227 V N 0.169 119.926 119.914 -0.262 0.000 2.295 227 V HA -0.292 3.830 4.120 0.003 0.000 0.246 227 V C 2.645 178.621 176.094 -0.196 0.000 1.049 227 V CA 2.285 64.432 62.300 -0.255 0.000 1.024 227 V CB -0.845 30.844 31.823 -0.222 0.000 0.648 227 V HN 0.519 nan 8.190 nan 0.000 0.447 228 R N -0.049 120.364 120.500 -0.145 0.000 2.091 228 R HA -0.174 4.167 4.340 0.003 0.000 0.238 228 R C 2.426 178.633 176.300 -0.155 0.000 1.136 228 R CA 1.599 57.625 56.100 -0.123 0.000 0.959 228 R CB -0.632 29.616 30.300 -0.086 0.000 0.856 228 R HN 0.559 nan 8.270 nan 0.000 0.437 229 A N 0.515 123.232 122.820 -0.172 0.000 1.898 229 A HA -0.100 4.221 4.320 0.003 0.000 0.216 229 A C 2.358 179.763 177.584 -0.297 0.000 1.181 229 A CA 1.310 53.227 52.037 -0.199 0.000 0.620 229 A CB -0.458 18.431 19.000 -0.184 0.000 0.819 229 A HN 0.121 nan 8.150 nan 0.000 0.442 230 V N 0.400 120.076 119.914 -0.397 0.000 2.358 230 V HA -0.255 3.866 4.120 0.003 0.000 0.246 230 V C 2.282 178.064 176.094 -0.521 0.000 1.047 230 V CA 2.442 64.346 62.300 -0.660 0.000 1.035 230 V CB -0.821 30.547 31.823 -0.759 0.000 0.658 230 V HN 0.767 nan 8.190 nan 0.000 0.452 231 D N 0.228 120.430 120.400 -0.330 0.000 2.123 231 D HA -0.179 4.463 4.640 0.003 0.000 0.196 231 D C 2.094 178.288 176.300 -0.177 0.000 0.992 231 D CA 1.521 55.389 54.000 -0.221 0.000 0.833 231 D CB -0.116 40.594 40.800 -0.151 0.000 0.954 231 D HN 0.392 nan 8.370 nan 0.000 0.455 232 A N 0.326 123.043 122.820 -0.171 0.000 1.930 232 A HA 0.079 4.401 4.320 0.003 0.000 0.217 232 A C 2.356 179.867 177.584 -0.122 0.000 1.175 232 A CA 1.839 53.800 52.037 -0.126 0.000 0.627 232 A CB -1.002 17.930 19.000 -0.113 0.000 0.815 232 A HN 0.339 nan 8.150 nan 0.000 0.443 233 A N 0.023 122.745 122.820 -0.164 0.000 1.902 233 A HA -0.090 4.232 4.320 0.003 0.000 0.217 233 A C 2.097 179.646 177.584 -0.059 0.000 1.181 233 A CA 1.542 53.514 52.037 -0.109 0.000 0.623 233 A CB -0.596 18.337 19.000 -0.111 0.000 0.818 233 A HN 0.498 nan 8.150 nan 0.000 0.443 234 I N -0.349 120.157 120.570 -0.107 0.000 2.315 234 I HA -0.182 3.990 4.170 0.003 0.000 0.248 234 I C 2.686 178.787 176.117 -0.028 0.000 1.117 234 I CA 0.990 62.269 61.300 -0.034 0.000 1.404 234 I CB -0.596 37.364 38.000 -0.066 0.000 1.071 234 I HN 0.398 nan 8.210 nan 0.000 0.419 235 G N 0.812 109.581 108.800 -0.052 0.000 2.440 235 G HA2 -0.242 3.720 3.960 0.003 0.000 0.218 235 G HA3 -0.242 3.720 3.960 0.003 0.000 0.218 235 G C 1.817 176.696 174.900 -0.034 0.000 1.154 235 G CA 0.512 45.588 45.100 -0.040 0.000 0.767 235 G HN 0.301 nan 8.290 nan 0.000 0.552 236 R N -0.660 119.816 120.500 -0.041 0.000 2.092 236 R HA 0.018 4.360 4.340 0.003 0.000 0.231 236 R C 2.461 178.744 176.300 -0.029 0.000 1.119 236 R CA 0.998 57.075 56.100 -0.038 0.000 0.970 236 R CB -0.478 29.795 30.300 -0.045 0.000 0.864 236 R HN 0.384 nan 8.270 nan 0.000 0.440 237 L N 1.266 122.478 121.223 -0.017 0.000 2.017 237 L HA -0.141 4.200 4.340 0.003 0.000 0.208 237 L C 1.964 178.832 176.870 -0.003 0.000 1.073 237 L CA 1.665 56.499 54.840 -0.009 0.000 0.745 237 L CB -0.473 41.597 42.059 0.018 0.000 0.894 237 L HN 0.110 nan 8.230 nan 0.000 0.432 238 L N -0.525 120.699 121.223 0.002 0.000 2.042 238 L HA -0.206 4.136 4.340 0.003 0.000 0.210 238 L C 2.693 179.563 176.870 -0.001 0.000 1.076 238 L CA 1.296 56.139 54.840 0.006 0.000 0.749 238 L CB -1.069 40.998 42.059 0.012 0.000 0.893 238 L HN 0.404 nan 8.230 nan 0.000 0.432 239 A N 0.356 123.169 122.820 -0.011 0.000 1.902 239 A HA -0.122 4.200 4.320 0.003 0.000 0.217 239 A C 2.413 179.988 177.584 -0.015 0.000 1.181 239 A CA 1.746 53.774 52.037 -0.015 0.000 0.623 239 A CB -1.229 17.757 19.000 -0.024 0.000 0.818 239 A HN 0.450 nan 8.150 nan 0.000 0.443 240 G N -0.679 108.110 108.800 -0.018 0.000 2.418 240 G HA2 -0.207 3.755 3.960 0.003 0.000 0.217 240 G HA3 -0.207 3.755 3.960 0.003 0.000 0.217 240 G C 1.634 176.527 174.900 -0.011 0.000 1.158 240 G CA 1.166 46.255 45.100 -0.020 0.000 0.771 240 G HN 0.467 nan 8.290 nan 0.000 0.545 241 M N -0.194 119.403 119.600 -0.005 0.000 2.159 241 M HA -0.091 4.390 4.480 0.003 0.000 0.263 241 M C 2.593 178.895 176.300 0.004 0.000 1.063 241 M CA 1.608 56.911 55.300 0.004 0.000 1.110 241 M CB -0.163 32.444 32.600 0.011 0.000 1.374 241 M HN 0.252 nan 8.290 nan 0.000 0.411 242 Q N 0.828 120.628 119.800 0.000 0.000 2.079 242 Q HA -0.105 4.237 4.340 0.003 0.000 0.200 242 Q C 1.827 177.826 176.000 -0.001 0.000 0.974 242 Q CA 1.806 57.609 55.803 0.000 0.000 0.840 242 Q CB -0.110 28.628 28.738 -0.001 0.000 0.898 242 Q HN 0.381 nan 8.270 nan 0.000 0.430 243 R N -0.031 120.466 120.500 -0.005 0.000 2.148 243 R HA -0.081 4.261 4.340 0.003 0.000 0.227 243 R C 1.140 177.439 176.300 -0.002 0.000 1.103 243 R CA 1.236 57.333 56.100 -0.005 0.000 0.983 243 R CB -0.025 30.269 30.300 -0.010 0.000 0.874 243 R HN 0.329 nan 8.270 nan 0.000 0.451 244 D N -0.741 119.659 120.400 0.000 0.000 2.347 244 D HA 0.029 4.671 4.640 0.003 0.000 0.213 244 D C 1.139 177.446 176.300 0.012 0.000 0.985 244 D CA 1.001 55.004 54.000 0.006 0.000 0.879 244 D CB 0.244 41.049 40.800 0.008 0.000 0.919 244 D HN 0.401 nan 8.370 nan 0.000 0.526 245 G N 0.694 109.500 108.800 0.010 0.000 2.153 245 G HA2 -0.330 3.632 3.960 0.003 0.000 0.252 245 G HA3 -0.330 3.632 3.960 0.003 0.000 0.252 245 G C 1.185 176.097 174.900 0.019 0.000 0.994 245 G CA 1.191 46.299 45.100 0.013 0.000 0.698 245 G HN 0.434 nan 8.290 nan 0.000 0.521 246 T N -2.669 111.897 114.554 0.020 0.000 3.051 246 T HA 0.193 4.545 4.350 0.003 0.000 0.255 246 T C 2.027 176.735 174.700 0.015 0.000 1.085 246 T CA 1.145 63.261 62.100 0.027 0.000 1.109 246 T CB 0.162 69.053 68.868 0.038 0.000 0.921 246 T HN 0.362 nan 8.240 nan 0.000 0.488 247 R N 2.554 123.057 120.500 0.006 0.000 2.083 247 R HA 0.150 4.492 4.340 0.003 0.000 0.237 247 R C 2.448 178.731 176.300 -0.027 0.000 1.137 247 R CA 1.890 57.987 56.100 -0.005 0.000 0.951 247 R CB -1.218 29.081 30.300 -0.002 0.000 0.851 247 R HN 0.450 nan 8.270 nan 0.000 0.434 248 A N 0.413 123.216 122.820 -0.028 0.000 2.121 248 A HA -0.087 4.235 4.320 0.003 0.000 0.218 248 A C 1.486 179.003 177.584 -0.112 0.000 1.154 248 A CA 1.409 53.414 52.037 -0.054 0.000 0.679 248 A CB -0.317 18.667 19.000 -0.027 0.000 0.795 248 A HN 0.479 nan 8.150 nan 0.000 0.458 249 R N -1.219 119.234 120.500 -0.079 0.000 2.546 249 R HA 0.268 4.609 4.340 0.003 0.000 0.320 249 R C -0.726 175.525 176.300 -0.082 0.000 1.021 249 R CA 0.208 56.246 56.100 -0.103 0.000 1.088 249 R CB -1.212 29.156 30.300 0.114 0.000 1.278 249 R HN 0.023 nan 8.270 nan 0.000 0.557 250 T N 0.986 115.491 114.554 -0.082 0.000 2.809 250 T HA 0.389 4.741 4.350 0.003 0.000 0.284 250 T C -0.861 173.810 174.700 -0.048 0.000 0.992 250 T CA -0.783 61.304 62.100 -0.022 0.000 0.957 250 T CB 1.124 70.003 68.868 0.017 0.000 0.942 250 T HN 0.131 nan 8.240 nan 0.000 0.439 251 N N 2.851 121.537 118.700 -0.025 0.000 2.530 251 N HA 0.417 5.159 4.740 0.003 0.000 0.273 251 N C -0.558 174.953 175.510 0.001 0.000 1.173 251 N CA -0.123 52.915 53.050 -0.020 0.000 0.967 251 N CB 1.135 39.623 38.487 0.003 0.000 1.109 251 N HN 0.542 nan 8.380 nan 0.000 0.453 252 I N 2.440 123.003 120.570 -0.012 0.000 2.466 252 I HA 0.424 4.596 4.170 0.003 0.000 0.289 252 I C -0.282 175.814 176.117 -0.035 0.000 1.026 252 I CA -0.557 60.742 61.300 -0.003 0.000 1.078 252 I CB 1.696 39.693 38.000 -0.004 0.000 1.249 252 I HN 0.209 nan 8.210 nan 0.000 0.429 253 I N 6.375 126.936 120.570 -0.015 0.000 2.436 253 I HA 0.437 4.609 4.170 0.003 0.000 0.289 253 I C -0.764 175.342 176.117 -0.017 0.000 1.010 253 I CA -0.869 60.385 61.300 -0.076 0.000 1.098 253 I CB 2.221 40.224 38.000 0.004 0.000 1.266 253 I HN 0.174 nan 8.210 nan 0.000 0.434 254 V N 7.077 126.934 119.914 -0.096 0.000 2.409 254 V HA 0.566 4.687 4.120 0.003 0.000 0.291 254 V C -0.082 176.020 176.094 0.012 0.000 1.020 254 V CA -0.595 61.709 62.300 0.007 0.000 0.848 254 V CB 1.771 33.588 31.823 -0.010 0.000 0.990 254 V HN 0.534 nan 8.190 nan 0.000 0.430 255 V N 1.943 121.938 119.914 0.135 0.000 3.141 255 V HA 0.998 5.119 4.120 0.003 0.000 0.312 255 V C -0.167 175.989 176.094 0.104 0.000 1.157 255 V CA -0.654 61.746 62.300 0.167 0.000 1.041 255 V CB 2.076 34.064 31.823 0.276 0.000 1.071 255 V HN 0.874 nan 8.190 nan 0.000 0.441 256 S N -0.434 115.294 115.700 0.047 0.000 2.677 256 S HA 0.558 5.029 4.470 0.003 0.000 0.304 256 S C 0.183 174.688 174.600 -0.158 0.000 1.108 256 S CA 0.068 58.224 58.200 -0.074 0.000 0.944 256 S CB 1.829 64.970 63.200 -0.098 0.000 1.127 256 S HN 0.987 nan 8.310 nan 0.000 0.511 257 D N -0.482 119.699 120.400 -0.365 0.000 2.271 257 D HA 0.108 4.750 4.640 0.003 0.000 0.206 257 D C 0.480 176.657 176.300 -0.204 0.000 0.967 257 D CA 1.273 55.055 54.000 -0.365 0.000 0.867 257 D CB -0.573 39.934 40.800 -0.487 0.000 0.960 257 D HN 0.895 nan 8.370 nan 0.000 0.509 258 H N -4.070 114.939 119.070 -0.102 0.000 2.935 258 H HA 0.585 5.142 4.556 0.003 0.000 0.297 258 H C 0.177 175.452 175.328 -0.089 0.000 1.423 258 H CA -0.891 55.097 56.048 -0.100 0.000 1.161 258 H CB 0.771 30.432 29.762 -0.167 0.000 1.841 258 H HN 0.005 nan 8.280 nan 0.000 0.506 259 G N -0.455 108.440 108.800 0.158 0.000 2.666 259 G HA2 0.514 4.476 3.960 0.003 0.000 0.207 259 G HA3 0.514 4.476 3.960 0.003 0.000 0.207 259 G C -0.779 174.241 174.900 0.200 0.000 1.481 259 G CA -0.327 44.854 45.100 0.135 0.000 1.071 259 G HN 0.780 nan 8.290 nan 0.000 0.572 260 M N -1.001 118.665 119.600 0.111 0.000 2.333 260 M HA 0.641 5.123 4.480 0.003 0.000 0.286 260 M C -1.039 175.265 176.300 0.007 0.000 1.113 260 M CA -0.418 54.924 55.300 0.070 0.000 0.959 260 M CB 1.839 34.432 32.600 -0.012 0.000 1.776 260 M HN 0.924 nan 8.290 nan 0.000 0.492 261 A N 2.911 125.769 122.820 0.064 0.000 2.356 261 A HA 0.763 5.085 4.320 0.003 0.000 0.323 261 A C -0.889 176.671 177.584 -0.040 0.000 1.119 261 A CA -0.673 51.372 52.037 0.013 0.000 0.790 261 A CB 1.093 20.128 19.000 0.058 0.000 1.273 261 A HN 0.837 nan 8.150 nan 0.000 0.452 262 E N 0.662 120.796 120.200 -0.110 0.000 2.360 262 E HA 0.409 4.761 4.350 0.003 0.000 0.269 262 E C -1.242 175.237 176.600 -0.202 0.000 1.022 262 E CA -0.144 56.169 56.400 -0.146 0.000 0.887 262 E CB 0.674 30.276 29.700 -0.163 0.000 0.990 262 E HN 0.319 nan 8.360 nan 0.000 0.426 263 V N 4.620 124.419 119.914 -0.193 0.000 2.304 263 V HA 0.405 4.527 4.120 0.003 0.000 0.278 263 V C 0.246 176.152 176.094 -0.312 0.000 1.018 263 V CA -0.563 61.567 62.300 -0.284 0.000 0.814 263 V CB 0.690 32.441 31.823 -0.119 0.000 1.021 263 V HN 0.816 nan 8.190 nan 0.000 0.440 264 A N 7.314 129.808 122.820 -0.544 0.000 2.313 264 A HA 0.761 5.083 4.320 0.003 0.000 0.261 264 A C -2.408 175.115 177.584 -0.101 0.000 1.090 264 A CA -1.427 50.423 52.037 -0.312 0.000 0.807 264 A CB -0.028 18.770 19.000 -0.335 0.000 1.055 264 A HN 0.607 nan 8.150 nan 0.000 0.492 265 P HA 0.230 nan 4.420 nan 0.000 0.265 265 P C 0.868 178.186 177.300 0.030 0.000 1.187 265 P CA 1.992 65.094 63.100 0.003 0.000 0.766 265 P CB 0.444 32.142 31.700 -0.002 0.000 0.820 266 G N 1.790 110.567 108.800 -0.038 0.000 2.159 266 G HA2 -0.264 3.698 3.960 0.003 0.000 0.256 266 G HA3 -0.264 3.698 3.960 0.003 0.000 0.256 266 G C 0.322 174.999 174.900 -0.371 0.000 0.977 266 G CA -0.038 44.986 45.100 -0.126 0.000 0.652 266 G HN 0.651 nan 8.290 nan 0.000 0.531 267 H N 0.437 119.209 119.070 -0.497 0.000 2.550 267 H HA 0.647 5.205 4.556 0.003 0.000 0.304 267 H C 0.923 176.040 175.328 -0.352 0.000 1.086 267 H CA 0.781 56.219 56.048 -1.016 0.000 1.089 267 H CB 0.488 29.561 29.762 -1.148 0.000 1.528 267 H HN 0.722 nan 8.280 nan 0.000 0.539 268 A N 1.301 124.125 122.820 0.007 0.000 2.343 268 A HA 0.616 4.938 4.320 0.003 0.000 0.308 268 A C -0.101 177.590 177.584 0.179 0.000 1.092 268 A CA -0.791 51.321 52.037 0.124 0.000 0.751 268 A CB 0.696 19.725 19.000 0.048 0.000 1.203 268 A HN 0.434 nan 8.150 nan 0.000 0.452 269 I N -0.412 120.277 120.570 0.198 0.000 3.133 269 I HA 0.807 4.979 4.170 0.003 0.000 0.311 269 I C 0.101 176.250 176.117 0.053 0.000 1.072 269 I CA -0.799 60.583 61.300 0.137 0.000 1.015 269 I CB 2.033 40.122 38.000 0.148 0.000 1.233 269 I HN 0.458 nan 8.210 nan 0.000 0.473 270 S N 1.052 116.771 115.700 0.032 0.000 2.562 270 S HA 0.280 4.752 4.470 0.003 0.000 0.275 270 S C 1.086 175.673 174.600 -0.023 0.000 1.281 270 S CA -0.387 57.817 58.200 0.006 0.000 1.045 270 S CB 1.464 64.680 63.200 0.026 0.000 0.962 270 S HN 0.749 nan 8.310 nan 0.000 0.503 271 V N 2.794 122.678 119.914 -0.050 0.000 2.568 271 V HA -0.088 4.034 4.120 0.003 0.000 0.253 271 V C 1.668 177.826 176.094 0.106 0.000 1.072 271 V CA 1.935 64.223 62.300 -0.019 0.000 1.084 271 V CB -1.078 30.660 31.823 -0.141 0.000 0.676 271 V HN 0.915 nan 8.190 nan 0.000 0.469 272 E N 0.284 120.529 120.200 0.075 0.000 2.427 272 E HA -0.107 4.245 4.350 0.003 0.000 0.196 272 E C 1.549 178.156 176.600 0.012 0.000 1.028 272 E CA 0.829 57.269 56.400 0.068 0.000 0.864 272 E CB -0.152 29.587 29.700 0.066 0.000 0.813 272 E HN 0.668 nan 8.360 nan 0.000 0.514 273 D N 0.602 121.000 120.400 -0.003 0.000 2.269 273 D HA -0.074 4.568 4.640 0.003 0.000 0.208 273 D C 1.817 178.077 176.300 -0.066 0.000 0.963 273 D CA 0.743 54.732 54.000 -0.019 0.000 0.864 273 D CB 0.145 40.947 40.800 0.004 0.000 0.936 273 D HN 0.276 nan 8.370 nan 0.000 0.505 274 I N 0.369 120.862 120.570 -0.128 0.000 2.296 274 I HA 0.003 4.175 4.170 0.003 0.000 0.242 274 I C 0.959 176.879 176.117 -0.328 0.000 1.087 274 I CA 0.424 61.567 61.300 -0.260 0.000 1.393 274 I CB 0.114 37.906 38.000 -0.346 0.000 1.093 274 I HN -0.138 nan 8.210 nan 0.000 0.421 275 A N 1.329 123.944 122.820 -0.342 0.000 2.427 275 A HA 0.620 4.942 4.320 0.003 0.000 0.298 275 A C -2.675 174.838 177.584 -0.118 0.000 1.036 275 A CA -1.318 50.511 52.037 -0.347 0.000 0.701 275 A CB 0.823 19.392 19.000 -0.718 0.000 1.250 275 A HN -0.140 nan 8.150 nan 0.000 0.412 276 P HA 0.227 nan 4.420 nan 0.000 0.274 276 P C -2.116 175.194 177.300 0.016 0.000 1.231 276 P CA -1.247 61.845 63.100 -0.013 0.000 0.790 276 P CB 0.612 32.301 31.700 -0.019 0.000 0.951 277 P HA -0.141 nan 4.420 nan 0.000 0.222 277 P C 0.957 178.281 177.300 0.039 0.000 1.147 277 P CA 1.567 64.703 63.100 0.059 0.000 0.790 277 P CB 0.046 31.776 31.700 0.050 0.000 0.780 278 Q N -0.884 118.928 119.800 0.021 0.000 2.378 278 Q HA 0.071 4.412 4.340 0.003 0.000 0.205 278 Q C 2.152 178.159 176.000 0.011 0.000 0.954 278 Q CA 0.906 56.717 55.803 0.014 0.000 0.901 278 Q CB -0.442 28.300 28.738 0.006 0.000 0.981 278 Q HN 0.329 nan 8.270 nan 0.000 0.483 279 I N -0.854 119.719 120.570 0.005 0.000 2.810 279 I HA 0.225 4.397 4.170 0.003 0.000 0.262 279 I C 0.598 176.722 176.117 0.012 0.000 1.131 279 I CA 0.165 61.462 61.300 -0.006 0.000 1.453 279 I CB 0.357 38.334 38.000 -0.038 0.000 1.161 279 I HN 0.066 nan 8.210 nan 0.000 0.444 280 A N 0.089 122.931 122.820 0.036 0.000 2.594 280 A HA 0.650 4.972 4.320 0.003 0.000 0.295 280 A C -0.689 177.026 177.584 0.218 0.000 1.071 280 A CA -0.339 51.768 52.037 0.117 0.000 0.685 280 A CB 1.161 20.216 19.000 0.092 0.000 1.285 280 A HN -0.006 nan 8.150 nan 0.000 0.405 281 T N 1.914 116.607 114.554 0.231 0.000 2.767 281 T HA 0.577 4.929 4.350 0.003 0.000 0.284 281 T C 0.327 175.135 174.700 0.180 0.000 0.973 281 T CA 0.341 62.552 62.100 0.185 0.000 0.996 281 T CB 1.256 70.179 68.868 0.092 0.000 0.927 281 T HN 1.287 nan 8.240 nan 0.000 0.456 282 A N 4.259 127.126 122.820 0.078 0.000 2.395 282 A HA 0.356 4.677 4.320 0.003 0.000 0.286 282 A C 1.287 178.830 177.584 -0.070 0.000 1.193 282 A CA -0.460 51.387 52.037 -0.317 0.000 0.852 282 A CB -0.336 18.476 19.000 -0.313 0.000 1.118 282 A HN 0.802 nan 8.150 nan 0.000 0.524 283 I N 1.925 122.396 120.570 -0.166 0.000 2.406 283 I HA -0.024 4.148 4.170 0.003 0.000 0.249 283 I C 1.468 177.543 176.117 -0.070 0.000 1.122 283 I CA 1.766 63.021 61.300 -0.076 0.000 1.431 283 I CB -1.389 36.565 38.000 -0.078 0.000 1.087 283 I HN 0.712 nan 8.210 nan 0.000 0.424 284 T N -0.769 113.652 114.554 -0.222 0.000 2.906 284 T HA 0.560 4.912 4.350 0.003 0.000 0.295 284 T C -0.602 173.801 174.700 -0.495 0.000 1.075 284 T CA -0.877 61.044 62.100 -0.298 0.000 1.005 284 T CB 3.075 71.574 68.868 -0.615 0.000 1.136 284 T HN 0.134 nan 8.240 nan 0.000 0.498 285 D N -0.649 119.377 120.400 -0.623 0.000 2.650 285 D HA 0.797 5.439 4.640 0.003 0.000 0.255 285 D C 1.056 177.144 176.300 -0.352 0.000 1.135 285 D CA 0.153 53.718 54.000 -0.725 0.000 1.099 285 D CB 0.902 40.913 40.800 -1.315 0.000 1.273 285 D HN 1.246 nan 8.370 nan 0.000 0.628 286 G N 0.055 108.680 108.800 -0.292 0.000 3.299 286 G HA2 -0.260 3.702 3.960 0.003 0.000 0.251 286 G HA3 -0.260 3.702 3.960 0.003 0.000 0.251 286 G C 0.507 175.320 174.900 -0.146 0.000 1.741 286 G CA 0.694 45.678 45.100 -0.193 0.000 1.151 286 G HN 0.598 nan 8.290 nan 0.000 0.561 287 Q N -0.872 118.823 119.800 -0.175 0.000 2.313 287 Q HA 0.512 4.854 4.340 0.003 0.000 0.263 287 Q C 0.508 176.464 176.000 -0.073 0.000 0.820 287 Q CA 0.760 56.477 55.803 -0.144 0.000 0.974 287 Q CB 1.657 30.127 28.738 -0.446 0.000 1.156 287 Q HN 0.623 nan 8.270 nan 0.000 0.517 288 V N 2.843 122.706 119.914 -0.084 0.000 2.293 288 V HA 0.334 4.456 4.120 0.003 0.000 0.275 288 V C -0.903 175.236 176.094 0.076 0.000 1.021 288 V CA -0.517 61.795 62.300 0.020 0.000 0.815 288 V CB 1.080 32.847 31.823 -0.093 0.000 1.025 288 V HN 0.193 nan 8.190 nan 0.000 0.448 289 I N 4.519 125.105 120.570 0.027 0.000 2.328 289 I HA 0.495 4.667 4.170 0.003 0.000 0.287 289 I C 0.839 176.883 176.117 -0.122 0.000 1.012 289 I CA -0.129 61.082 61.300 -0.149 0.000 1.195 289 I CB 1.170 39.060 38.000 -0.183 0.000 1.350 289 I HN 0.591 nan 8.210 nan 0.000 0.464 290 G N 5.914 114.579 108.800 -0.226 0.000 2.348 290 G HA2 0.627 4.589 3.960 0.003 0.000 0.312 290 G HA3 0.627 4.589 3.960 0.003 0.000 0.312 290 G C -1.257 173.463 174.900 -0.299 0.000 1.126 290 G CA -0.202 44.837 45.100 -0.101 0.000 0.865 290 G HN 0.294 nan 8.290 nan 0.000 0.474 291 F N 0.197 120.181 119.950 0.057 0.000 2.520 291 F HA 0.489 5.018 4.527 0.003 0.000 0.322 291 F C 0.133 175.964 175.800 0.052 0.000 1.103 291 F CA -0.879 57.147 58.000 0.043 0.000 0.926 291 F CB 2.938 41.957 39.000 0.032 0.000 1.154 291 F HN 0.323 nan 8.300 nan 0.000 0.453 292 E N 4.677 125.018 120.200 0.235 0.000 2.145 292 E HA 0.441 4.793 4.350 0.003 0.000 0.262 292 E C -2.697 173.990 176.600 0.145 0.000 0.883 292 E CA -2.871 53.623 56.400 0.157 0.000 0.748 292 E CB 1.343 31.105 29.700 0.104 0.000 1.140 292 E HN 0.076 nan 8.360 nan 0.000 0.417 293 P HA -0.029 nan 4.420 nan 0.000 0.267 293 P C -0.528 176.809 177.300 0.062 0.000 1.200 293 P CA -0.280 62.865 63.100 0.076 0.000 0.772 293 P CB 0.482 32.214 31.700 0.053 0.000 0.855 294 L N 5.330 126.583 121.223 0.049 0.000 2.476 294 L HA 0.227 4.569 4.340 0.003 0.000 0.264 294 L C -1.850 175.038 176.870 0.031 0.000 1.224 294 L CA -1.162 53.701 54.840 0.039 0.000 0.821 294 L CB -1.040 41.037 42.059 0.031 0.000 1.101 294 L HN 0.336 nan 8.230 nan 0.000 0.488 295 P HA 0.102 nan 4.420 nan 0.000 0.262 295 P C 0.642 177.953 177.300 0.018 0.000 1.182 295 P CA 1.083 64.196 63.100 0.022 0.000 0.761 295 P CB 0.395 32.106 31.700 0.019 0.000 0.795 296 G N 2.760 111.571 108.800 0.017 0.000 2.189 296 G HA2 -0.285 3.677 3.960 0.003 0.000 0.267 296 G HA3 -0.285 3.677 3.960 0.003 0.000 0.267 296 G C 0.802 175.709 174.900 0.012 0.000 0.975 296 G CA -0.102 45.007 45.100 0.014 0.000 0.644 296 G HN 0.549 nan 8.290 nan 0.000 0.537 297 Q N -0.579 119.230 119.800 0.015 0.000 2.220 297 Q HA 0.197 4.539 4.340 0.003 0.000 0.205 297 Q C 2.067 178.074 176.000 0.011 0.000 0.865 297 Q CA 0.790 56.599 55.803 0.010 0.000 0.960 297 Q CB 0.618 29.363 28.738 0.011 0.000 1.097 297 Q HN 0.668 nan 8.270 nan 0.000 0.493 298 Q N 1.525 121.335 119.800 0.018 0.000 2.061 298 Q HA -0.150 4.192 4.340 0.003 0.000 0.204 298 Q C 1.858 177.866 176.000 0.013 0.000 0.984 298 Q CA 2.248 58.064 55.803 0.022 0.000 0.846 298 Q CB -0.230 28.524 28.738 0.027 0.000 0.902 298 Q HN 0.367 nan 8.270 nan 0.000 0.421 299 A N 0.155 122.980 122.820 0.009 0.000 1.902 299 A HA -0.049 4.273 4.320 0.003 0.000 0.217 299 A C 2.302 179.883 177.584 -0.004 0.000 1.181 299 A CA 1.962 54.002 52.037 0.004 0.000 0.623 299 A CB -1.252 17.750 19.000 0.004 0.000 0.818 299 A HN 0.545 nan 8.150 nan 0.000 0.443 300 A N -0.156 122.659 122.820 -0.008 0.000 1.902 300 A HA 0.159 4.481 4.320 0.003 0.000 0.217 300 A C 2.511 180.075 177.584 -0.034 0.000 1.181 300 A CA 2.127 54.154 52.037 -0.018 0.000 0.623 300 A CB -1.028 17.962 19.000 -0.016 0.000 0.818 300 A HN 1.052 nan 8.150 nan 0.000 0.443 301 A N -0.162 122.637 122.820 -0.035 0.000 1.877 301 A HA -0.195 4.127 4.320 0.003 0.000 0.216 301 A C 1.930 179.478 177.584 -0.061 0.000 1.186 301 A CA 1.709 53.706 52.037 -0.067 0.000 0.620 301 A CB -0.596 18.378 19.000 -0.043 0.000 0.822 301 A HN 0.632 nan 8.150 nan 0.000 0.443 302 E N -0.339 119.848 120.200 -0.021 0.000 2.077 302 E HA -0.129 4.223 4.350 0.003 0.000 0.193 302 E C 2.311 178.905 176.600 -0.010 0.000 0.989 302 E CA 0.924 57.321 56.400 -0.004 0.000 0.800 302 E CB -0.300 29.408 29.700 0.014 0.000 0.746 302 E HN 0.624 nan 8.360 nan 0.000 0.452 303 A N 0.798 123.609 122.820 -0.015 0.000 1.940 303 A HA -0.213 4.109 4.320 0.003 0.000 0.219 303 A C 2.256 179.833 177.584 -0.011 0.000 1.176 303 A CA 1.866 53.895 52.037 -0.013 0.000 0.631 303 A CB -0.523 18.467 19.000 -0.016 0.000 0.814 303 A HN 0.219 nan 8.150 nan 0.000 0.446 304 S N -1.395 114.283 115.700 -0.038 0.000 2.395 304 S HA -0.037 4.434 4.470 0.003 0.000 0.225 304 S C 1.749 176.314 174.600 -0.059 0.000 1.027 304 S CA 1.504 59.669 58.200 -0.058 0.000 0.965 304 S CB -0.164 62.965 63.200 -0.118 0.000 0.812 304 S HN 0.256 nan 8.310 nan 0.000 0.482 305 V N 1.322 121.195 119.914 -0.069 0.000 2.672 305 V HA 0.330 4.452 4.120 0.003 0.000 0.242 305 V C 0.899 177.073 176.094 0.133 0.000 1.059 305 V CA 0.268 62.528 62.300 -0.067 0.000 1.081 305 V CB -0.269 31.454 31.823 -0.167 0.000 0.752 305 V HN 0.343 nan 8.190 nan 0.000 0.472 306 L N 0.783 122.049 121.223 0.072 0.000 2.456 306 L HA 0.498 4.840 4.340 0.003 0.000 0.272 306 L C 0.957 177.802 176.870 -0.042 0.000 1.189 306 L CA 1.260 56.111 54.840 0.018 0.000 0.846 306 L CB -0.124 41.934 42.059 -0.003 0.000 1.111 306 L HN 0.477 nan 8.230 nan 0.000 0.475 307 G N 2.054 110.725 108.800 -0.215 0.000 2.472 307 G HA2 0.007 3.969 3.960 0.003 0.000 0.205 307 G HA3 0.007 3.969 3.960 0.003 0.000 0.205 307 G C -0.774 173.832 174.900 -0.490 0.000 1.270 307 G CA -0.326 44.559 45.100 -0.358 0.000 0.974 307 G HN 0.969 nan 8.290 nan 0.000 0.542 308 A N 0.328 122.810 122.820 -0.564 0.000 2.301 308 A HA 0.813 5.135 4.320 0.003 0.000 0.298 308 A C 0.097 177.135 177.584 -0.911 0.000 1.185 308 A CA -0.053 51.656 52.037 -0.547 0.000 0.830 308 A CB 0.433 19.232 19.000 -0.334 0.000 1.112 308 A HN 0.948 nan 8.150 nan 0.000 0.508 309 H N 0.577 119.305 119.070 -0.569 0.000 2.906 309 H HA 0.227 4.785 4.556 0.003 0.000 0.337 309 H C -0.173 174.730 175.328 -0.708 0.000 1.257 309 H CA -0.680 54.926 56.048 -0.736 0.000 1.192 309 H CB 1.159 30.141 29.762 -1.299 0.000 1.912 309 H HN 0.658 nan 8.280 nan 0.000 0.573 310 D N 0.002 120.063 120.400 -0.565 0.000 2.123 310 D HA -0.118 4.523 4.640 0.003 0.000 0.196 310 D C 0.675 176.357 176.300 -1.029 0.000 0.992 310 D CA 1.682 55.245 54.000 -0.729 0.000 0.833 310 D CB 0.221 40.552 40.800 -0.781 0.000 0.954 310 D HN 0.448 nan 8.370 nan 0.000 0.455 311 H N -1.964 116.716 119.070 -0.650 0.000 2.777 311 H HA 0.182 4.740 4.556 0.003 0.000 0.244 311 H C -0.622 174.148 175.328 -0.929 0.000 1.185 311 H CA -0.298 55.207 56.048 -0.904 0.000 0.945 311 H CB 0.019 28.946 29.762 -1.391 0.000 1.994 311 H HN 0.200 nan 8.280 nan 0.000 0.638 312 Y N -1.926 117.849 120.300 -0.876 0.000 2.713 312 Y HA 0.584 5.136 4.550 0.003 0.000 0.335 312 Y C -1.729 174.062 175.900 -0.183 0.000 1.222 312 Y CA -1.327 56.490 58.100 -0.472 0.000 1.061 312 Y CB 1.157 39.528 38.460 -0.148 0.000 1.314 312 Y HN -0.232 nan 8.280 nan 0.000 0.453 313 D N 0.570 121.045 120.400 0.125 0.000 2.732 313 D HA 0.620 5.262 4.640 0.003 0.000 0.229 313 D C -1.400 174.800 176.300 -0.167 0.000 1.152 313 D CA -0.139 53.765 54.000 -0.160 0.000 0.854 313 D CB 2.670 43.248 40.800 -0.370 0.000 1.590 313 D HN 0.753 nan 8.370 nan 0.000 0.468 314 c N 1.092 119.465 118.600 -0.378 0.000 2.802 314 c HA 0.656 5.228 4.570 0.003 0.000 0.307 314 c C -0.718 173.170 174.090 -0.336 0.000 1.222 314 c CA -0.828 55.436 56.329 -0.108 0.000 1.580 314 c CB 1.951 44.544 42.510 0.140 0.000 2.119 314 c HN 0.558 nan 8.230 nan 0.000 0.479 315 W N 0.400 121.824 121.300 0.207 0.000 3.107 315 W HA 0.462 5.124 4.660 0.003 0.000 0.331 315 W C -0.443 176.163 176.519 0.145 0.000 1.204 315 W CA -0.754 56.682 57.345 0.151 0.000 1.184 315 W CB 1.157 30.704 29.460 0.145 0.000 1.421 315 W HN 0.568 nan 8.180 nan 0.000 0.544 316 R N 1.651 122.352 120.500 0.335 0.000 2.623 316 R HA -0.029 4.313 4.340 0.003 0.000 0.271 316 R C 1.624 178.070 176.300 0.243 0.000 1.043 316 R CA 0.219 56.460 56.100 0.235 0.000 1.083 316 R CB 0.894 31.290 30.300 0.161 0.000 0.974 316 R HN 0.505 nan 8.270 nan 0.000 0.436 317 K N 1.807 122.322 120.400 0.191 0.000 2.103 317 K HA -0.175 4.146 4.320 0.003 0.000 0.207 317 K C 1.620 178.275 176.600 0.092 0.000 1.048 317 K CA 1.801 58.182 56.287 0.156 0.000 0.930 317 K CB -0.139 32.427 32.500 0.111 0.000 0.716 317 K HN 0.568 nan 8.250 nan 0.000 0.444 318 A N 1.455 124.321 122.820 0.076 0.000 2.121 318 A HA -0.102 4.220 4.320 0.003 0.000 0.218 318 A C 1.322 178.928 177.584 0.037 0.000 1.154 318 A CA 1.187 53.250 52.037 0.043 0.000 0.679 318 A CB -0.239 18.785 19.000 0.039 0.000 0.795 318 A HN 0.523 nan 8.150 nan 0.000 0.458 319 E N -0.639 119.606 120.200 0.074 0.000 2.476 319 E HA 0.248 4.600 4.350 0.003 0.000 0.196 319 E C -0.471 176.092 176.600 -0.061 0.000 1.029 319 E CA -0.470 55.971 56.400 0.068 0.000 0.896 319 E CB 0.154 29.960 29.700 0.178 0.000 1.012 319 E HN 0.527 nan 8.360 nan 0.000 0.475 320 L N 2.481 123.622 121.223 -0.137 0.000 2.506 320 L HA 0.066 4.408 4.340 0.003 0.000 0.281 320 L C -1.998 174.511 176.870 -0.602 0.000 1.228 320 L CA -1.649 52.900 54.840 -0.485 0.000 0.850 320 L CB -0.192 41.773 42.059 -0.156 0.000 1.110 320 L HN -0.190 nan 8.230 nan 0.000 0.496 321 P HA -0.118 nan 4.420 nan 0.000 0.259 321 P C 0.086 177.057 177.300 -0.548 0.000 1.163 321 P CA 0.334 62.912 63.100 -0.870 0.000 0.760 321 P CB 0.694 31.504 31.700 -1.484 0.000 0.762 322 A N 5.822 128.440 122.820 -0.336 0.000 1.978 322 A HA -0.249 4.073 4.320 0.003 0.000 0.220 322 A C 2.033 179.526 177.584 -0.151 0.000 1.170 322 A CA 1.631 53.558 52.037 -0.184 0.000 0.636 322 A CB -0.781 18.145 19.000 -0.123 0.000 0.810 322 A HN 0.667 nan 8.150 nan 0.000 0.448 323 R N -1.869 118.494 120.500 -0.230 0.000 2.193 323 R HA -0.165 4.176 4.340 0.003 0.000 0.229 323 R C 1.329 177.646 176.300 0.029 0.000 1.110 323 R CA 1.387 57.412 56.100 -0.125 0.000 0.988 323 R CB -0.427 29.769 30.300 -0.173 0.000 0.871 323 R HN 0.617 nan 8.270 nan 0.000 0.458 324 W N 1.444 122.646 121.300 -0.163 0.000 2.905 324 W HA 0.144 4.806 4.660 0.003 0.000 0.251 324 W C 0.275 176.747 176.519 -0.079 0.000 1.305 324 W CA -0.101 57.131 57.345 -0.188 0.000 1.465 324 W CB -0.466 28.642 29.460 -0.586 0.000 1.122 324 W HN 0.241 nan 8.180 nan 0.000 0.659 325 Q N -0.740 119.136 119.800 0.128 0.000 2.443 325 Q HA -0.275 4.067 4.340 0.003 0.000 0.337 325 Q C -0.996 175.082 176.000 0.130 0.000 1.401 325 Q CA 0.805 56.655 55.803 0.079 0.000 0.943 325 Q CB -2.216 26.551 28.738 0.049 0.000 1.177 325 Q HN 0.387 nan 8.270 nan 0.000 0.394 326 Y N -1.803 118.482 120.300 -0.024 0.000 2.519 326 Y HA 0.530 5.082 4.550 0.003 0.000 0.336 326 Y C 0.739 176.643 175.900 0.007 0.000 1.089 326 Y CA 0.404 58.503 58.100 -0.001 0.000 1.025 326 Y CB 1.887 40.369 38.460 0.036 0.000 1.318 326 Y HN 0.131 nan 8.280 nan 0.000 0.452 327 G N 1.541 110.151 108.800 -0.317 0.000 2.318 327 G HA2 -0.214 3.748 3.960 0.003 0.000 0.172 327 G HA3 -0.214 3.748 3.960 0.003 0.000 0.172 327 G C 0.657 175.492 174.900 -0.108 0.000 1.002 327 G CA 0.292 45.276 45.100 -0.193 0.000 0.697 327 G HN 0.596 nan 8.290 nan 0.000 0.483 328 S N -0.448 115.201 115.700 -0.086 0.000 2.503 328 S HA 0.184 4.656 4.470 0.003 0.000 0.217 328 S C 0.749 175.329 174.600 -0.033 0.000 0.999 328 S CA 0.032 58.213 58.200 -0.033 0.000 0.914 328 S CB 0.021 63.225 63.200 0.007 0.000 0.782 328 S HN 0.692 nan 8.310 nan 0.000 0.520 329 H N 2.784 121.782 119.070 -0.120 0.000 2.803 329 H HA 0.140 4.698 4.556 0.003 0.000 0.330 329 H C -1.596 173.693 175.328 -0.065 0.000 1.057 329 H CA -1.503 54.497 56.048 -0.081 0.000 1.458 329 H CB 1.061 30.763 29.762 -0.100 0.000 1.470 329 H HN -0.055 nan 8.280 nan 0.000 0.560 330 P HA -0.177 nan 4.420 nan 0.000 0.219 330 P C 0.785 178.156 177.300 0.117 0.000 1.146 330 P CA 1.308 64.391 63.100 -0.029 0.000 0.808 330 P CB 0.239 31.873 31.700 -0.109 0.000 0.779 331 R N -0.732 119.968 120.500 0.333 0.000 2.280 331 R HA 0.105 4.447 4.340 0.003 0.000 0.207 331 R C 1.023 177.407 176.300 0.140 0.000 1.043 331 R CA 0.127 56.366 56.100 0.232 0.000 1.006 331 R CB -0.513 29.927 30.300 0.234 0.000 0.885 331 R HN 0.274 nan 8.270 nan 0.000 0.467 332 I N 2.590 123.220 120.570 0.100 0.000 2.496 332 I HA 0.104 4.276 4.170 0.003 0.000 0.285 332 I C -2.048 174.119 176.117 0.084 0.000 1.080 332 I CA -2.345 58.989 61.300 0.056 0.000 1.404 332 I CB 0.809 38.756 38.000 -0.089 0.000 1.403 332 I HN -0.253 nan 8.210 nan 0.000 0.539 333 P HA -0.012 nan 4.420 nan 0.000 0.269 333 P C 0.587 177.964 177.300 0.129 0.000 1.217 333 P CA -0.101 63.064 63.100 0.108 0.000 0.783 333 P CB 0.528 32.287 31.700 0.099 0.000 0.898 334 S N 1.273 117.048 115.700 0.125 0.000 2.419 334 S HA -0.066 4.406 4.470 0.003 0.000 0.233 334 S C 0.592 175.291 174.600 0.165 0.000 1.016 334 S CA 0.961 59.236 58.200 0.124 0.000 0.974 334 S CB -0.676 62.587 63.200 0.104 0.000 0.786 334 S HN 0.292 nan 8.310 nan 0.000 0.492 335 L N 1.498 122.847 121.223 0.210 0.000 2.362 335 L HA 0.683 5.025 4.340 0.003 0.000 0.275 335 L C -1.248 175.819 176.870 0.327 0.000 0.998 335 L CA -0.842 54.156 54.840 0.264 0.000 0.820 335 L CB 2.273 44.480 42.059 0.247 0.000 1.270 335 L HN -0.057 nan 8.230 nan 0.000 0.415 336 V N 1.568 121.711 119.914 0.383 0.000 2.531 336 V HA 0.405 4.527 4.120 0.003 0.000 0.301 336 V C -0.554 175.850 176.094 0.518 0.000 1.034 336 V CA -0.541 62.014 62.300 0.426 0.000 0.865 336 V CB 1.962 34.064 31.823 0.465 0.000 0.995 336 V HN 0.846 nan 8.190 nan 0.000 0.424 337 c N 3.844 122.705 118.600 0.436 0.000 2.382 337 c HA 0.693 5.265 4.570 0.003 0.000 0.327 337 c C 0.035 174.381 174.090 0.428 0.000 1.250 337 c CA -0.631 55.957 56.329 0.433 0.000 1.707 337 c CB 1.220 43.911 42.510 0.302 0.000 2.272 337 c HN 0.871 nan 8.230 nan 0.000 0.506 338 Q N 3.164 123.303 119.800 0.565 0.000 2.368 338 Q HA 0.493 4.835 4.340 0.003 0.000 0.263 338 Q C -0.479 175.805 176.000 0.474 0.000 1.009 338 Q CA -0.194 55.920 55.803 0.519 0.000 0.818 338 Q CB 0.622 29.802 28.738 0.736 0.000 1.239 338 Q HN 0.628 nan 8.270 nan 0.000 0.464 339 M N 2.964 122.786 119.600 0.370 0.000 2.245 339 M HA 0.131 4.612 4.480 0.003 0.000 0.344 339 M C 0.080 176.711 176.300 0.553 0.000 1.170 339 M CA 0.373 55.914 55.300 0.402 0.000 1.135 339 M CB -0.057 32.780 32.600 0.396 0.000 1.574 339 M HN 0.695 nan 8.290 nan 0.000 0.452 340 H N 0.320 119.607 119.070 0.361 0.000 2.771 340 H HA 0.037 4.595 4.556 0.003 0.000 0.364 340 H C 0.121 175.506 175.328 0.094 0.000 1.133 340 H CA -0.534 55.668 56.048 0.257 0.000 1.423 340 H CB 0.614 30.494 29.762 0.195 0.000 1.425 340 H HN 0.538 nan 8.280 nan 0.000 0.606 341 E N 1.049 121.218 120.200 -0.053 0.000 2.652 341 E HA -0.099 4.253 4.350 0.003 0.000 0.255 341 E C 0.730 177.087 176.600 -0.405 0.000 0.952 341 E CA 0.847 56.839 56.400 -0.680 0.000 0.947 341 E CB -0.037 29.475 29.700 -0.314 0.000 0.912 341 E HN 0.935 nan 8.360 nan 0.000 0.489 342 G N 3.486 111.851 108.800 -0.725 0.000 2.175 342 G HA2 -0.261 3.701 3.960 0.003 0.000 0.244 342 G HA3 -0.261 3.701 3.960 0.003 0.000 0.244 342 G C -0.640 174.138 174.900 -0.202 0.000 0.982 342 G CA 0.077 44.987 45.100 -0.315 0.000 0.641 342 G HN 0.516 nan 8.290 nan 0.000 0.527 343 W N 0.702 122.053 121.300 0.085 0.000 2.689 343 W HA 0.695 5.357 4.660 0.003 0.000 0.340 343 W C -0.494 176.168 176.519 0.239 0.000 1.060 343 W CA -0.613 56.844 57.345 0.186 0.000 1.218 343 W CB 1.495 31.049 29.460 0.157 0.000 1.410 343 W HN -0.048 nan 8.180 nan 0.000 0.528 344 D N 1.108 121.720 120.400 0.354 0.000 2.457 344 D HA 0.634 5.275 4.640 0.003 0.000 0.240 344 D C -1.038 175.354 176.300 0.153 0.000 1.041 344 D CA -0.583 53.531 54.000 0.190 0.000 0.861 344 D CB 2.014 42.861 40.800 0.078 0.000 1.394 344 D HN 0.338 nan 8.370 nan 0.000 0.473 345 A N 2.204 125.040 122.820 0.028 0.000 2.319 345 A HA 0.684 5.005 4.320 0.003 0.000 0.310 345 A C -0.796 176.689 177.584 -0.164 0.000 1.152 345 A CA -0.578 51.426 52.037 -0.055 0.000 0.783 345 A CB 0.476 19.403 19.000 -0.122 0.000 1.184 345 A HN 0.487 nan 8.150 nan 0.000 0.474 346 L N 1.653 122.792 121.223 -0.140 0.000 2.333 346 L HA 0.555 4.897 4.340 0.003 0.000 0.269 346 L C -0.445 176.313 176.870 -0.186 0.000 1.010 346 L CA -0.799 53.925 54.840 -0.193 0.000 0.818 346 L CB 1.615 43.633 42.059 -0.069 0.000 1.306 346 L HN 0.711 nan 8.230 nan 0.000 0.430 347 F N 1.687 121.597 119.950 -0.068 0.000 2.602 347 F HA 0.013 4.542 4.527 0.003 0.000 0.367 347 F C -1.116 174.658 175.800 -0.044 0.000 1.126 347 F CA -0.887 57.073 58.000 -0.067 0.000 1.321 347 F CB 0.167 39.112 39.000 -0.092 0.000 1.094 347 F HN 0.397 nan 8.300 nan 0.000 0.594 348 P HA -0.206 nan 4.420 nan 0.000 0.218 348 P C 0.909 178.245 177.300 0.060 0.000 1.148 348 P CA 1.575 64.725 63.100 0.083 0.000 0.822 348 P CB -0.058 31.682 31.700 0.067 0.000 0.784 349 D N -0.145 120.290 120.400 0.059 0.000 2.224 349 D HA -0.145 4.497 4.640 0.003 0.000 0.205 349 D C 1.548 177.865 176.300 0.028 0.000 0.965 349 D CA 1.228 55.242 54.000 0.025 0.000 0.852 349 D CB -0.783 40.012 40.800 -0.008 0.000 0.947 349 D HN 0.168 nan 8.370 nan 0.000 0.494 350 K N -0.490 119.943 120.400 0.054 0.000 2.076 350 K HA 0.031 4.353 4.320 0.003 0.000 0.204 350 K C 2.020 178.634 176.600 0.023 0.000 1.051 350 K CA 0.324 56.634 56.287 0.038 0.000 0.949 350 K CB -0.174 32.360 32.500 0.056 0.000 0.726 350 K HN 0.028 nan 8.250 nan 0.000 0.443 351 L N 1.313 122.554 121.223 0.029 0.000 2.079 351 L HA -0.183 4.159 4.340 0.003 0.000 0.210 351 L C 2.130 179.012 176.870 0.019 0.000 1.081 351 L CA 1.750 56.603 54.840 0.022 0.000 0.752 351 L CB -0.589 41.486 42.059 0.027 0.000 0.896 351 L HN 0.137 nan 8.230 nan 0.000 0.433 352 A N 0.142 122.973 122.820 0.019 0.000 1.855 352 A HA -0.207 4.114 4.320 0.003 0.000 0.215 352 A C 2.130 179.719 177.584 0.009 0.000 1.191 352 A CA 1.825 53.870 52.037 0.014 0.000 0.613 352 A CB -0.591 18.416 19.000 0.012 0.000 0.829 352 A HN 0.607 nan 8.150 nan 0.000 0.442 353 K N -0.466 119.938 120.400 0.007 0.000 2.525 353 K HA 0.006 4.328 4.320 0.003 0.000 0.192 353 K C 0.713 177.314 176.600 0.002 0.000 1.029 353 K CA 0.148 56.437 56.287 0.003 0.000 1.029 353 K CB -0.214 32.286 32.500 -0.000 0.000 0.814 353 K HN 0.206 nan 8.250 nan 0.000 0.503 354 R N 2.479 122.981 120.500 0.003 0.000 2.474 354 R HA 0.048 4.390 4.340 0.003 0.000 0.339 354 R C -0.603 175.697 176.300 0.001 0.000 1.033 354 R CA 0.198 56.298 56.100 -0.000 0.000 0.997 354 R CB -0.188 30.112 30.300 0.001 0.000 0.963 354 R HN 0.292 nan 8.270 nan 0.000 0.438 355 A N 5.873 128.692 122.820 -0.001 0.000 2.500 355 A HA 0.027 4.349 4.320 0.003 0.000 0.285 355 A C -0.205 177.380 177.584 0.002 0.000 1.183 355 A CA -0.034 52.004 52.037 0.002 0.000 0.851 355 A CB -0.152 18.850 19.000 0.003 0.000 1.091 355 A HN 0.813 nan 8.150 nan 0.000 0.521 356 Q N 2.097 121.899 119.800 0.004 0.000 2.452 356 Q HA 0.219 4.560 4.340 0.003 0.000 0.230 356 Q C 0.723 176.726 176.000 0.005 0.000 1.180 356 Q CA 0.018 55.823 55.803 0.003 0.000 0.914 356 Q CB 0.596 29.337 28.738 0.004 0.000 1.408 356 Q HN 0.890 nan 8.270 nan 0.000 0.520 357 R N 1.241 121.745 120.500 0.005 0.000 4.126 357 R HA 0.214 4.556 4.340 0.003 0.000 0.128 357 R C 0.215 176.521 176.300 0.010 0.000 0.687 357 R CA 0.676 56.782 56.100 0.010 0.000 1.049 357 R CB 0.334 30.644 30.300 0.017 0.000 1.559 357 R HN 0.499 nan 8.270 nan 0.000 0.455 358 G N 0.165 108.972 108.800 0.012 0.000 2.735 358 G HA2 0.433 4.394 3.960 0.003 0.000 0.301 358 G HA3 0.433 4.394 3.960 0.003 0.000 0.301 358 G C -1.065 173.836 174.900 0.001 0.000 1.279 358 G CA -0.473 44.638 45.100 0.019 0.000 1.019 358 G HN 0.119 nan 8.290 nan 0.000 0.497 359 T N 0.693 115.252 114.554 0.007 0.000 2.907 359 T HA 0.443 4.794 4.350 0.003 0.000 0.298 359 T C 0.426 175.118 174.700 -0.013 0.000 1.017 359 T CA 0.279 62.367 62.100 -0.020 0.000 1.118 359 T CB 0.779 69.637 68.868 -0.018 0.000 0.948 359 T HN 0.411 nan 8.240 nan 0.000 0.531 360 R N 0.288 120.762 120.500 -0.043 0.000 3.076 360 R HA 0.786 5.128 4.340 0.003 0.000 0.239 360 R C -0.122 176.159 176.300 -0.033 0.000 1.392 360 R CA -1.114 54.968 56.100 -0.030 0.000 1.044 360 R CB 1.704 31.990 30.300 -0.024 0.000 1.389 360 R HN 0.747 nan 8.270 nan 0.000 0.498 361 G N -0.330 108.470 108.800 0.000 0.000 2.619 361 G HA2 0.595 4.556 3.960 0.003 0.000 0.296 361 G HA3 0.595 4.556 3.960 0.003 0.000 0.296 361 G C -1.293 173.625 174.900 0.031 0.000 1.334 361 G CA -0.278 44.810 45.100 -0.020 0.000 0.934 361 G HN 0.352 nan 8.290 nan 0.000 0.476 362 S N -1.222 114.506 115.700 0.047 0.000 2.596 362 S HA 0.731 5.203 4.470 0.003 0.000 0.270 362 S C -0.668 173.943 174.600 0.018 0.000 1.155 362 S CA -0.726 57.481 58.200 0.012 0.000 0.827 362 S CB 1.806 65.024 63.200 0.031 0.000 1.130 362 S HN 1.061 nan 8.310 nan 0.000 0.467 363 H N -1.710 117.215 119.070 -0.242 0.000 3.889 363 H HA 0.840 5.397 4.556 0.003 0.000 0.351 363 H C 0.935 175.824 175.328 -0.731 0.000 1.657 363 H CA -0.346 55.477 56.048 -0.374 0.000 1.319 363 H CB -0.214 29.309 29.762 -0.399 0.000 1.314 363 H HN 1.076 nan 8.280 nan 0.000 0.771 364 G N -1.518 106.967 108.800 -0.526 0.000 2.143 364 G HA2 -0.270 3.692 3.960 0.003 0.000 0.249 364 G HA3 -0.270 3.692 3.960 0.003 0.000 0.249 364 G C -0.747 173.784 174.900 -0.616 0.000 0.981 364 G CA 0.505 45.225 45.100 -0.633 0.000 0.665 364 G HN 0.511 nan 8.290 nan 0.000 0.528 365 Y N 0.268 120.483 120.300 -0.142 0.000 2.392 365 Y HA 0.538 5.090 4.550 0.003 0.000 0.323 365 Y C 0.870 176.713 175.900 -0.095 0.000 1.291 365 Y CA -1.314 56.749 58.100 -0.063 0.000 1.345 365 Y CB 0.308 38.785 38.460 0.028 0.000 1.320 365 Y HN 0.098 nan 8.280 nan 0.000 0.518 366 D N 2.236 122.764 120.400 0.214 0.000 2.793 366 D HA -0.081 4.561 4.640 0.003 0.000 0.230 366 D C -1.860 174.526 176.300 0.145 0.000 1.139 366 D CA -0.740 53.392 54.000 0.220 0.000 0.838 366 D CB 0.722 41.778 40.800 0.426 0.000 1.149 366 D HN 0.201 nan 8.370 nan 0.000 0.526 367 P HA -0.089 nan 4.420 nan 0.000 0.223 367 P C 0.717 178.053 177.300 0.061 0.000 1.144 367 P CA 1.248 64.380 63.100 0.054 0.000 0.783 367 P CB 0.124 31.860 31.700 0.060 0.000 0.771 368 A N -1.211 121.677 122.820 0.113 0.000 2.167 368 A HA 0.023 4.345 4.320 0.003 0.000 0.214 368 A C 1.026 178.581 177.584 -0.049 0.000 1.151 368 A CA 0.169 52.223 52.037 0.030 0.000 0.735 368 A CB -1.026 18.028 19.000 0.090 0.000 0.802 368 A HN 0.134 nan 8.150 nan 0.000 0.467 369 L N 0.074 121.298 121.223 0.002 0.000 2.453 369 L HA 0.101 4.443 4.340 0.003 0.000 0.272 369 L C -1.369 175.437 176.870 -0.107 0.000 1.182 369 L CA -1.429 53.394 54.840 -0.029 0.000 0.858 369 L CB 0.621 42.698 42.059 0.030 0.000 1.120 369 L HN 0.075 nan 8.230 nan 0.000 0.474 370 P HA -0.203 nan 4.420 nan 0.000 0.216 370 P C 1.555 178.791 177.300 -0.106 0.000 1.150 370 P CA 1.432 64.421 63.100 -0.186 0.000 0.843 370 P CB 0.135 31.749 31.700 -0.143 0.000 0.787 371 S N -1.928 113.741 115.700 -0.052 0.000 2.442 371 S HA -0.107 4.365 4.470 0.003 0.000 0.236 371 S C 1.703 176.319 174.600 0.026 0.000 1.007 371 S CA 1.099 59.290 58.200 -0.014 0.000 0.965 371 S CB -0.991 62.207 63.200 -0.004 0.000 0.773 371 S HN -0.014 nan 8.310 nan 0.000 0.504 372 M N 0.834 120.450 119.600 0.027 0.000 2.556 372 M HA 0.278 4.759 4.480 0.003 0.000 0.245 372 M C 0.520 176.839 176.300 0.032 0.000 1.128 372 M CA 0.212 55.548 55.300 0.060 0.000 1.069 372 M CB -0.808 31.831 32.600 0.065 0.000 1.469 372 M HN 0.266 nan 8.290 nan 0.000 0.494 373 R N 0.900 121.385 120.500 -0.025 0.000 2.585 373 R HA 0.317 4.659 4.340 0.003 0.000 0.275 373 R C 0.236 176.574 176.300 0.064 0.000 1.018 373 R CA 0.002 56.097 56.100 -0.009 0.000 1.072 373 R CB 0.383 30.633 30.300 -0.083 0.000 0.953 373 R HN 0.184 nan 8.270 nan 0.000 0.419 374 A N 2.597 125.471 122.820 0.090 0.000 2.261 374 A HA 0.589 4.911 4.320 0.003 0.000 0.323 374 A C -0.267 177.394 177.584 0.129 0.000 1.107 374 A CA -0.788 51.293 52.037 0.073 0.000 0.883 374 A CB 1.001 20.018 19.000 0.029 0.000 1.251 374 A HN 0.559 nan 8.150 nan 0.000 0.502 375 V N -2.227 117.755 119.914 0.112 0.000 2.713 375 V HA 0.848 4.970 4.120 0.003 0.000 0.307 375 V C -0.666 175.563 176.094 0.226 0.000 1.052 375 V CA -0.651 61.740 62.300 0.152 0.000 0.967 375 V CB 1.180 33.062 31.823 0.098 0.000 1.019 375 V HN 0.992 nan 8.190 nan 0.000 0.459 376 F N 6.147 126.163 119.950 0.110 0.000 2.585 376 F HA 0.801 5.330 4.527 0.003 0.000 0.319 376 F C -1.194 174.688 175.800 0.136 0.000 1.165 376 F CA -0.798 57.299 58.000 0.162 0.000 0.949 376 F CB 1.667 40.851 39.000 0.307 0.000 1.218 376 F HN 0.819 nan 8.300 nan 0.000 0.453 377 L N 3.795 124.668 121.223 -0.583 0.000 2.415 377 L HA 1.100 5.442 4.340 0.003 0.000 0.256 377 L C -1.527 174.948 176.870 -0.658 0.000 1.010 377 L CA -1.004 53.549 54.840 -0.479 0.000 0.826 377 L CB 1.690 43.651 42.059 -0.163 0.000 1.405 377 L HN 0.751 nan 8.230 nan 0.000 0.410 378 A N 1.307 123.886 122.820 -0.403 0.000 2.574 378 A HA 0.861 5.183 4.320 0.003 0.000 0.297 378 A C -1.643 175.867 177.584 -0.123 0.000 1.062 378 A CA -0.371 51.506 52.037 -0.267 0.000 0.686 378 A CB 2.068 20.925 19.000 -0.238 0.000 1.285 378 A HN 0.872 nan 8.150 nan 0.000 0.403 379 Q N 0.705 120.452 119.800 -0.088 0.000 2.426 379 Q HA 0.631 4.973 4.340 0.003 0.000 0.278 379 Q C -0.629 175.338 176.000 -0.056 0.000 1.007 379 Q CA 0.274 56.038 55.803 -0.067 0.000 0.850 379 Q CB 2.119 30.813 28.738 -0.073 0.000 1.427 379 Q HN 2.426 nan 8.270 nan 0.000 0.391 380 G N 2.413 111.177 108.800 -0.059 0.000 2.359 380 G HA2 0.157 4.119 3.960 0.003 0.000 0.293 380 G HA3 0.157 4.119 3.960 0.003 0.000 0.293 380 G C -2.659 172.187 174.900 -0.090 0.000 1.300 380 G CA -0.192 44.862 45.100 -0.077 0.000 0.888 380 G HN 0.363 nan 8.290 nan 0.000 0.541 381 P HA 0.021 nan 4.420 nan 0.000 0.219 381 P C 0.369 177.634 177.300 -0.058 0.000 1.146 381 P CA 1.345 64.347 63.100 -0.164 0.000 0.808 381 P CB 0.232 31.666 31.700 -0.442 0.000 0.779 382 D N -0.849 119.536 120.400 -0.025 0.000 2.363 382 D HA 0.202 4.844 4.640 0.003 0.000 0.214 382 D C 0.702 177.009 176.300 0.012 0.000 1.093 382 D CA 0.172 54.192 54.000 0.033 0.000 0.837 382 D CB 0.689 41.539 40.800 0.082 0.000 0.948 382 D HN 0.251 nan 8.370 nan 0.000 0.507 383 L N 0.452 121.671 121.223 -0.007 0.000 2.333 383 L HA 0.562 4.904 4.340 0.003 0.000 0.269 383 L C 0.508 177.371 176.870 -0.011 0.000 1.010 383 L CA -1.029 53.808 54.840 -0.004 0.000 0.818 383 L CB 1.779 43.834 42.059 -0.007 0.000 1.306 383 L HN -0.192 nan 8.230 nan 0.000 0.430 384 A N 1.572 124.388 122.820 -0.006 0.000 2.366 384 A HA 0.403 4.725 4.320 0.003 0.000 0.250 384 A C -0.483 177.089 177.584 -0.019 0.000 1.099 384 A CA 0.009 52.040 52.037 -0.011 0.000 0.794 384 A CB 0.238 19.233 19.000 -0.008 0.000 1.056 384 A HN 0.735 nan 8.150 nan 0.000 0.499 385 Q N -0.669 119.118 119.800 -0.022 0.000 2.310 385 Q HA 0.502 4.844 4.340 0.003 0.000 0.270 385 Q C 0.232 176.214 176.000 -0.029 0.000 1.025 385 Q CA -0.010 55.774 55.803 -0.032 0.000 0.772 385 Q CB 1.863 30.582 28.738 -0.032 0.000 1.253 385 Q HN 1.739 nan 8.270 nan 0.000 0.450 386 G N 2.408 111.186 108.800 -0.036 0.000 2.272 386 G HA2 -0.317 3.644 3.960 0.003 0.000 0.280 386 G HA3 -0.317 3.644 3.960 0.003 0.000 0.280 386 G C -0.280 174.611 174.900 -0.016 0.000 1.067 386 G CA 0.502 45.585 45.100 -0.029 0.000 0.902 386 G HN 0.412 nan 8.290 nan 0.000 0.500 387 K N -0.116 120.278 120.400 -0.011 0.000 2.203 387 K HA 0.708 5.030 4.320 0.003 0.000 0.251 387 K C -0.182 176.422 176.600 0.007 0.000 0.944 387 K CA -0.498 55.787 56.287 -0.003 0.000 0.829 387 K CB 1.277 33.775 32.500 -0.003 0.000 1.125 387 K HN 0.060 nan 8.250 nan 0.000 0.430 388 T N 3.592 118.149 114.554 0.006 0.000 2.829 388 T HA 0.473 4.825 4.350 0.003 0.000 0.280 388 T C -0.723 173.975 174.700 -0.002 0.000 0.999 388 T CA -0.705 61.403 62.100 0.013 0.000 0.983 388 T CB 0.643 69.518 68.868 0.011 0.000 0.968 388 T HN 0.349 nan 8.240 nan 0.000 0.446 389 L N 3.547 124.770 121.223 0.000 0.000 2.334 389 L HA 0.545 4.887 4.340 0.003 0.000 0.273 389 L C -2.354 174.468 176.870 -0.080 0.000 1.013 389 L CA -2.725 52.088 54.840 -0.045 0.000 0.816 389 L CB 1.518 43.536 42.059 -0.069 0.000 1.278 389 L HN 0.338 nan 8.230 nan 0.000 0.431 390 P HA 0.032 nan 4.420 nan 0.000 0.270 390 P C -0.041 177.054 177.300 -0.341 0.000 1.223 390 P CA -0.234 62.752 63.100 -0.190 0.000 0.785 390 P CB 0.389 32.013 31.700 -0.127 0.000 0.923 391 G N 0.908 109.207 108.800 -0.835 0.000 2.414 391 G HA2 0.394 4.356 3.960 0.003 0.000 0.236 391 G HA3 0.394 4.356 3.960 0.003 0.000 0.236 391 G C -0.689 173.774 174.900 -0.728 0.000 1.293 391 G CA -0.021 44.037 45.100 -1.737 0.000 0.869 391 G HN 0.528 nan 8.290 nan 0.000 0.556 392 F N -0.496 119.122 119.950 -0.554 0.000 2.711 392 F HA 0.643 5.172 4.527 0.003 0.000 0.313 392 F C -0.986 174.838 175.800 0.040 0.000 1.141 392 F CA -1.695 56.202 58.000 -0.171 0.000 0.941 392 F CB 1.387 40.263 39.000 -0.206 0.000 1.349 392 F HN 0.493 nan 8.300 nan 0.000 0.464 393 D N 0.805 121.259 120.400 0.090 0.000 2.225 393 D HA 0.195 4.837 4.640 0.003 0.000 0.249 393 D C 0.912 177.219 176.300 0.013 0.000 1.052 393 D CA -0.427 53.588 54.000 0.024 0.000 0.909 393 D CB 1.053 41.928 40.800 0.125 0.000 1.186 393 D HN 0.666 nan 8.370 nan 0.000 0.431 394 N N 2.591 121.272 118.700 -0.033 0.000 2.443 394 N HA -0.179 4.563 4.740 0.003 0.000 0.184 394 N C 1.652 177.256 175.510 0.158 0.000 1.037 394 N CA 1.520 54.595 53.050 0.042 0.000 0.896 394 N CB -0.791 37.724 38.487 0.046 0.000 0.959 394 N HN 0.353 nan 8.380 nan 0.000 0.442 395 V N -2.357 117.648 119.914 0.151 0.000 2.867 395 V HA -0.116 4.006 4.120 0.003 0.000 0.260 395 V C 1.004 177.205 176.094 0.178 0.000 1.099 395 V CA 1.846 64.238 62.300 0.154 0.000 1.122 395 V CB -0.593 31.306 31.823 0.127 0.000 0.708 395 V HN -0.013 nan 8.190 nan 0.000 0.490 396 D N 0.396 120.926 120.400 0.217 0.000 2.347 396 D HA 0.050 4.692 4.640 0.003 0.000 0.213 396 D C 2.106 178.474 176.300 0.114 0.000 0.985 396 D CA 0.862 54.956 54.000 0.158 0.000 0.879 396 D CB 0.319 41.198 40.800 0.131 0.000 0.919 396 D HN 0.470 nan 8.370 nan 0.000 0.526 397 V N 0.683 120.716 119.914 0.199 0.000 2.427 397 V HA -0.262 3.860 4.120 0.003 0.000 0.248 397 V C 2.144 178.318 176.094 0.133 0.000 1.051 397 V CA 1.167 63.567 62.300 0.167 0.000 1.048 397 V CB -0.688 31.306 31.823 0.284 0.000 0.666 397 V HN 0.192 nan 8.190 nan 0.000 0.456 398 Y N 1.770 122.098 120.300 0.046 0.000 2.114 398 Y HA -0.306 4.246 4.550 0.003 0.000 0.282 398 Y C 2.413 178.306 175.900 -0.011 0.000 1.165 398 Y CA 1.808 59.909 58.100 0.001 0.000 1.148 398 Y CB -0.550 37.898 38.460 -0.019 0.000 0.972 398 Y HN 0.156 nan 8.280 nan 0.000 0.504 399 A N 0.041 122.872 122.820 0.017 0.000 1.940 399 A HA -0.207 4.115 4.320 0.003 0.000 0.219 399 A C 2.188 179.690 177.584 -0.136 0.000 1.176 399 A CA 1.822 53.814 52.037 -0.075 0.000 0.631 399 A CB -1.209 17.801 19.000 0.017 0.000 0.814 399 A HN 0.586 nan 8.150 nan 0.000 0.446 400 L N -0.646 120.522 121.223 -0.092 0.000 2.027 400 L HA -0.100 4.242 4.340 0.003 0.000 0.206 400 L C 2.502 179.319 176.870 -0.087 0.000 1.074 400 L CA 2.109 56.909 54.840 -0.067 0.000 0.745 400 L CB -0.477 41.573 42.059 -0.015 0.000 0.898 400 L HN 0.429 nan 8.230 nan 0.000 0.433 401 M N -1.310 118.220 119.600 -0.117 0.000 2.117 401 M HA -0.197 4.284 4.480 0.003 0.000 0.262 401 M C 2.285 178.452 176.300 -0.222 0.000 1.065 401 M CA 1.785 57.002 55.300 -0.138 0.000 1.114 401 M CB -0.483 32.035 32.600 -0.136 0.000 1.361 401 M HN 0.270 nan 8.290 nan 0.000 0.408 402 S N 0.055 115.519 115.700 -0.392 0.000 2.370 402 S HA -0.177 4.295 4.470 0.003 0.000 0.226 402 S C 1.848 176.336 174.600 -0.186 0.000 1.033 402 S CA 1.395 59.378 58.200 -0.361 0.000 1.011 402 S CB -0.430 62.468 63.200 -0.503 0.000 0.852 402 S HN 0.419 nan 8.310 nan 0.000 0.457 403 R N 0.935 121.346 120.500 -0.147 0.000 2.073 403 R HA -0.012 4.329 4.340 0.003 0.000 0.234 403 R C 2.104 178.368 176.300 -0.060 0.000 1.134 403 R CA 1.232 57.281 56.100 -0.085 0.000 0.952 403 R CB -0.390 29.871 30.300 -0.066 0.000 0.850 403 R HN 0.358 nan 8.270 nan 0.000 0.433 404 L N 0.610 121.802 121.223 -0.053 0.000 2.275 404 L HA -0.129 4.212 4.340 0.003 0.000 0.215 404 L C 1.931 178.790 176.870 -0.019 0.000 1.119 404 L CA 0.800 55.630 54.840 -0.018 0.000 0.790 404 L CB -0.095 41.963 42.059 -0.002 0.000 0.919 404 L HN 0.292 nan 8.230 nan 0.000 0.443 405 L N -0.758 120.435 121.223 -0.051 0.000 2.585 405 L HA 0.217 4.559 4.340 0.003 0.000 0.226 405 L C 1.318 178.157 176.870 -0.051 0.000 1.113 405 L CA 0.276 55.088 54.840 -0.047 0.000 0.876 405 L CB -0.133 41.885 42.059 -0.069 0.000 1.072 405 L HN 0.384 nan 8.230 nan 0.000 0.468 406 G N 2.169 110.936 108.800 -0.056 0.000 2.273 406 G HA2 -0.290 3.672 3.960 0.003 0.000 0.280 406 G HA3 -0.290 3.672 3.960 0.003 0.000 0.280 406 G C 0.142 175.009 174.900 -0.055 0.000 1.047 406 G CA 0.679 45.747 45.100 -0.053 0.000 0.869 406 G HN 0.498 nan 8.290 nan 0.000 0.502 407 I N -2.625 117.904 120.570 -0.068 0.000 2.562 407 I HA 0.785 4.956 4.170 0.003 0.000 0.301 407 I C -2.177 173.906 176.117 -0.057 0.000 1.003 407 I CA -3.398 57.866 61.300 -0.060 0.000 1.127 407 I CB 2.173 40.133 38.000 -0.066 0.000 1.304 407 I HN -0.105 nan 8.210 nan 0.000 0.446 408 P HA 0.144 nan 4.420 nan 0.000 0.271 408 P C -0.380 176.924 177.300 0.007 0.000 1.220 408 P CA -0.069 63.022 63.100 -0.016 0.000 0.768 408 P CB 0.958 32.654 31.700 -0.005 0.000 0.848 409 A N 3.667 126.497 122.820 0.017 0.000 2.491 409 A HA 0.443 4.764 4.320 0.003 0.000 0.261 409 A C 0.895 178.579 177.584 0.167 0.000 1.101 409 A CA -0.170 51.935 52.037 0.112 0.000 0.772 409 A CB -0.538 18.520 19.000 0.097 0.000 1.043 409 A HN 0.678 nan 8.150 nan 0.000 0.501 410 A N 4.965 127.933 122.820 0.247 0.000 2.406 410 A HA 0.554 4.876 4.320 0.003 0.000 0.243 410 A C -2.054 175.552 177.584 0.036 0.000 1.082 410 A CA -1.113 50.975 52.037 0.085 0.000 0.786 410 A CB -0.527 18.474 19.000 0.002 0.000 1.029 410 A HN 0.689 nan 8.150 nan 0.000 0.495 411 P HA 0.178 nan 4.420 nan 0.000 0.265 411 P C -0.807 176.447 177.300 -0.077 0.000 1.193 411 P CA 0.220 63.304 63.100 -0.026 0.000 0.765 411 P CB 0.250 31.930 31.700 -0.034 0.000 0.823 412 N N 0.053 118.725 118.700 -0.047 0.000 3.039 412 N HA 0.285 5.027 4.740 0.003 0.000 0.257 412 N C -0.504 175.011 175.510 0.009 0.000 1.497 412 N CA -0.746 52.262 53.050 -0.070 0.000 0.861 412 N CB 0.380 38.766 38.487 -0.168 0.000 1.479 412 N HN -0.043 nan 8.380 nan 0.000 0.547 413 D N -1.230 119.196 120.400 0.044 0.000 2.339 413 D HA 0.207 4.848 4.640 0.003 0.000 0.217 413 D C 0.603 176.956 176.300 0.089 0.000 1.050 413 D CA 0.280 54.336 54.000 0.094 0.000 0.856 413 D CB -0.105 40.789 40.800 0.156 0.000 0.922 413 D HN 0.576 nan 8.370 nan 0.000 0.518 414 G N 0.194 109.045 108.800 0.086 0.000 2.547 414 G HA2 0.195 4.157 3.960 0.003 0.000 0.291 414 G HA3 0.195 4.157 3.960 0.003 0.000 0.291 414 G C -0.128 174.816 174.900 0.074 0.000 1.211 414 G CA -0.371 44.787 45.100 0.096 0.000 0.950 414 G HN -0.040 nan 8.290 nan 0.000 0.504 415 N N 0.062 118.799 118.700 0.061 0.000 2.446 415 N HA 0.359 5.100 4.740 0.003 0.000 0.265 415 N C -1.724 173.790 175.510 0.007 0.000 0.975 415 N CA -2.222 50.848 53.050 0.032 0.000 0.928 415 N CB 2.310 40.813 38.487 0.026 0.000 1.160 415 N HN -0.045 nan 8.380 nan 0.000 0.495 416 P HA -0.015 nan 4.420 nan 0.000 0.222 416 P C 0.808 178.081 177.300 -0.045 0.000 1.147 416 P CA 0.705 63.795 63.100 -0.017 0.000 0.790 416 P CB 0.267 31.964 31.700 -0.006 0.000 0.780 417 A N -0.566 122.230 122.820 -0.039 0.000 1.972 417 A HA -0.155 4.167 4.320 0.003 0.000 0.219 417 A C 2.180 179.710 177.584 -0.090 0.000 1.169 417 A CA 2.115 54.121 52.037 -0.053 0.000 0.635 417 A CB -1.822 17.157 19.000 -0.035 0.000 0.810 417 A HN 0.166 nan 8.150 nan 0.000 0.446 418 T N 0.293 114.779 114.554 -0.114 0.000 2.684 418 T HA -0.080 4.271 4.350 0.003 0.000 0.267 418 T C 1.408 175.929 174.700 -0.297 0.000 1.036 418 T CA 1.513 63.497 62.100 -0.194 0.000 1.148 418 T CB -0.266 68.475 68.868 -0.211 0.000 0.863 418 T HN 0.378 nan 8.240 nan 0.000 0.436 419 L N 0.594 121.637 121.223 -0.301 0.000 2.667 419 L HA 0.318 4.660 4.340 0.003 0.000 0.232 419 L C 1.770 178.540 176.870 -0.166 0.000 1.138 419 L CA -0.095 54.553 54.840 -0.319 0.000 0.921 419 L CB -0.272 41.550 42.059 -0.394 0.000 1.180 419 L HN 0.221 nan 8.230 nan 0.000 0.487 420 L N 0.770 121.919 121.223 -0.124 0.000 2.042 420 L HA -0.155 4.187 4.340 0.003 0.000 0.210 420 L C -0.237 176.592 176.870 -0.067 0.000 1.076 420 L CA 1.477 56.270 54.840 -0.078 0.000 0.749 420 L CB -1.591 40.431 42.059 -0.061 0.000 0.893 420 L HN 0.284 nan 8.230 nan 0.000 0.432 421 P HA -0.108 nan 4.420 nan 0.000 0.228 421 P C 1.183 178.455 177.300 -0.047 0.000 1.151 421 P CA 1.133 64.196 63.100 -0.062 0.000 0.770 421 P CB 0.005 31.661 31.700 -0.073 0.000 0.786 422 A N -0.995 121.795 122.820 -0.050 0.000 2.066 422 A HA -0.005 4.317 4.320 0.003 0.000 0.218 422 A C 1.069 178.657 177.584 0.007 0.000 1.157 422 A CA 0.460 52.498 52.037 0.002 0.000 0.670 422 A CB -0.992 18.038 19.000 0.050 0.000 0.804 422 A HN 0.147 nan 8.150 nan 0.000 0.453 423 L N -0.856 120.361 121.223 -0.010 0.000 2.417 423 L HA 0.222 4.564 4.340 0.003 0.000 0.268 423 L C 1.793 178.660 176.870 -0.006 0.000 1.158 423 L CA -0.445 54.392 54.840 -0.005 0.000 0.819 423 L CB 0.513 42.565 42.059 -0.011 0.000 1.112 423 L HN 0.364 nan 8.230 nan 0.000 0.458 424 R N 1.466 121.966 120.500 -0.001 0.000 2.096 424 R HA -0.053 4.289 4.340 0.003 0.000 0.235 424 R C 0.406 176.703 176.300 -0.004 0.000 1.127 424 R CA 1.249 57.348 56.100 -0.003 0.000 0.968 424 R CB 0.258 30.559 30.300 0.002 0.000 0.861 424 R HN 0.502 nan 8.270 nan 0.000 0.440 425 M N 0.000 119.598 119.600 -0.003 0.000 2.572 425 M HA 0.000 4.482 4.480 0.003 0.000 0.227 425 M CA 0.000 55.296 55.300 -0.006 0.000 0.988 425 M CB 0.000 32.598 32.600 -0.003 0.000 1.302 425 M HN 0.000 nan 8.290 nan 0.000 0.411