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 2gsu_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 0.000 174.683 174.700 -0.029 0.000 1.109 44 T CA 0.000 62.095 62.100 -0.008 0.000 1.349 44 T CB 0.000 68.880 68.868 0.020 0.000 0.612 45 P HA 0.501 nan 4.420 nan 0.000 0.281 45 P C -0.708 176.591 177.300 -0.002 0.000 1.264 45 P CA -0.646 62.396 63.100 -0.098 0.000 0.824 45 P CB 0.461 32.112 31.700 -0.082 0.000 1.092 46 H N -0.434 118.636 119.070 0.000 0.000 2.886 46 H HA 0.363 4.921 4.556 0.003 0.000 0.329 46 H C 0.608 175.941 175.328 0.008 0.000 1.044 46 H CA -0.715 55.336 56.048 0.005 0.000 1.456 46 H CB 0.633 30.396 29.762 0.002 0.000 1.464 46 H HN 0.555 nan 8.280 nan 0.000 0.573 47 A N 3.256 126.164 122.820 0.146 0.000 2.366 47 A HA 0.315 4.637 4.320 0.003 0.000 0.249 47 A C -0.475 177.153 177.584 0.073 0.000 1.084 47 A CA -0.449 51.642 52.037 0.090 0.000 0.794 47 A CB 0.434 19.483 19.000 0.083 0.000 1.034 47 A HN 0.534 nan 8.150 nan 0.000 0.491 48 L N 0.960 122.217 121.223 0.058 0.000 2.329 48 L HA 0.692 5.034 4.340 0.003 0.000 0.279 48 L C -0.986 175.919 176.870 0.058 0.000 1.014 48 L CA -0.590 54.278 54.840 0.046 0.000 0.814 48 L CB 1.655 43.730 42.059 0.027 0.000 1.257 48 L HN 0.620 nan 8.230 nan 0.000 0.424 49 L N 5.710 126.968 121.223 0.059 0.000 2.298 49 L HA 0.561 4.903 4.340 0.003 0.000 0.284 49 L C -1.493 175.426 176.870 0.082 0.000 1.013 49 L CA -0.357 54.531 54.840 0.080 0.000 0.824 49 L CB 1.364 43.469 42.059 0.076 0.000 1.221 49 L HN 0.665 nan 8.230 nan 0.000 0.418 50 L N 7.031 128.310 121.223 0.093 0.000 2.276 50 L HA 0.582 4.924 4.340 0.003 0.000 0.286 50 L C -0.912 176.107 176.870 0.248 0.000 1.024 50 L CA 0.028 54.933 54.840 0.109 0.000 0.826 50 L CB 0.718 42.757 42.059 -0.033 0.000 1.211 50 L HN 0.534 nan 8.230 nan 0.000 0.422 51 I N 3.589 124.331 120.570 0.286 0.000 2.378 51 I HA 0.347 4.519 4.170 0.003 0.000 0.291 51 I C -0.023 176.347 176.117 0.423 0.000 0.992 51 I CA -0.408 61.100 61.300 0.346 0.000 1.154 51 I CB 1.840 39.990 38.000 0.250 0.000 1.315 51 I HN 0.580 nan 8.210 nan 0.000 0.448 52 S N 7.354 123.347 115.700 0.488 0.000 2.456 52 S HA 0.620 5.091 4.470 0.003 0.000 0.316 52 S C -0.577 174.129 174.600 0.177 0.000 1.089 52 S CA -0.555 57.840 58.200 0.325 0.000 1.101 52 S CB 0.523 63.861 63.200 0.231 0.000 0.995 52 S HN 0.440 nan 8.310 nan 0.000 0.468 53 I N 4.236 124.874 120.570 0.113 0.000 2.337 53 I HA 0.238 4.410 4.170 0.003 0.000 0.285 53 I C 0.035 176.107 176.117 -0.075 0.000 1.041 53 I CA -0.678 60.642 61.300 0.034 0.000 1.199 53 I CB 1.024 39.027 38.000 0.004 0.000 1.370 53 I HN 0.537 nan 8.210 nan 0.000 0.470 54 D N 5.672 125.981 120.400 -0.151 0.000 2.434 54 D HA 0.079 4.721 4.640 0.003 0.000 0.252 54 D C 1.222 177.433 176.300 -0.148 0.000 1.185 54 D CA 1.179 55.103 54.000 -0.126 0.000 0.886 54 D CB 1.034 41.803 40.800 -0.053 0.000 1.148 54 D HN 0.884 nan 8.370 nan 0.000 0.483 55 G N 3.304 111.860 108.800 -0.407 0.000 2.179 55 G HA2 -0.288 3.674 3.960 0.003 0.000 0.257 55 G HA3 -0.288 3.674 3.960 0.003 0.000 0.257 55 G C 0.357 175.267 174.900 0.016 0.000 1.010 55 G CA 0.293 45.242 45.100 -0.251 0.000 0.736 55 G HN 0.529 nan 8.290 nan 0.000 0.513 56 L N 1.086 122.285 121.223 -0.039 0.000 2.385 56 L HA 0.530 4.872 4.340 0.003 0.000 0.281 56 L C 1.047 177.970 176.870 0.089 0.000 1.106 56 L CA -0.460 54.407 54.840 0.045 0.000 0.856 56 L CB 0.293 42.342 42.059 -0.015 0.000 1.186 56 L HN 0.332 nan 8.230 nan 0.000 0.453 57 R N 3.410 124.018 120.500 0.180 0.000 2.594 57 R HA 0.324 4.666 4.340 0.003 0.000 0.272 57 R C 1.202 177.578 176.300 0.126 0.000 1.074 57 R CA 0.504 56.683 56.100 0.133 0.000 1.105 57 R CB 1.133 31.500 30.300 0.112 0.000 1.008 57 R HN 0.864 nan 8.270 nan 0.000 0.472 58 A N 2.659 125.557 122.820 0.130 0.000 2.019 58 A HA -0.176 4.146 4.320 0.003 0.000 0.219 58 A C 1.174 178.848 177.584 0.150 0.000 1.164 58 A CA 1.714 53.852 52.037 0.168 0.000 0.644 58 A CB -0.379 18.774 19.000 0.256 0.000 0.805 58 A HN 0.916 nan 8.150 nan 0.000 0.449 59 D N -1.035 119.439 120.400 0.122 0.000 2.363 59 D HA -0.062 4.580 4.640 0.003 0.000 0.220 59 D C 1.361 177.717 176.300 0.093 0.000 0.994 59 D CA 0.299 54.361 54.000 0.103 0.000 0.890 59 D CB -0.427 40.420 40.800 0.079 0.000 0.906 59 D HN 0.297 nan 8.370 nan 0.000 0.530 60 M N 0.077 119.741 119.600 0.106 0.000 2.630 60 M HA 0.102 4.583 4.480 0.003 0.000 0.254 60 M C 1.524 177.864 176.300 0.066 0.000 1.092 60 M CA 0.490 55.852 55.300 0.104 0.000 1.087 60 M CB -0.404 32.283 32.600 0.145 0.000 1.453 60 M HN 0.159 nan 8.290 nan 0.000 0.509 61 L N -0.423 120.840 121.223 0.065 0.000 2.492 61 L HA -0.057 4.285 4.340 0.003 0.000 0.223 61 L C 0.504 177.401 176.870 0.045 0.000 1.132 61 L CA 0.465 55.333 54.840 0.048 0.000 0.850 61 L CB -0.123 41.969 42.059 0.054 0.000 0.966 61 L HN 0.192 nan 8.230 nan 0.000 0.454 62 D N -0.135 120.297 120.400 0.053 0.000 2.593 62 D HA 0.142 4.784 4.640 0.003 0.000 0.241 62 D C 0.977 177.301 176.300 0.041 0.000 1.257 62 D CA 0.044 54.072 54.000 0.047 0.000 0.828 62 D CB 0.558 41.392 40.800 0.057 0.000 1.049 62 D HN 0.265 nan 8.370 nan 0.000 0.490 63 R N -0.192 120.330 120.500 0.038 0.000 2.543 63 R HA 0.247 4.589 4.340 0.003 0.000 0.323 63 R C 0.930 177.243 176.300 0.022 0.000 1.002 63 R CA -0.076 56.044 56.100 0.033 0.000 1.106 63 R CB 1.099 31.424 30.300 0.042 0.000 1.280 63 R HN 0.052 nan 8.270 nan 0.000 0.549 64 G N 2.647 111.457 108.800 0.018 0.000 2.249 64 G HA2 -0.256 3.706 3.960 0.003 0.000 0.273 64 G HA3 -0.256 3.706 3.960 0.003 0.000 0.273 64 G C 0.544 175.444 174.900 -0.000 0.000 1.036 64 G CA 0.789 45.894 45.100 0.009 0.000 0.824 64 G HN 0.562 nan 8.290 nan 0.000 0.504 65 I N -3.101 117.468 120.570 -0.002 0.000 4.147 65 I HA 0.407 4.579 4.170 0.003 0.000 0.329 65 I C 0.804 176.900 176.117 -0.035 0.000 1.424 65 I CA 0.362 61.651 61.300 -0.018 0.000 1.127 65 I CB 0.688 38.681 38.000 -0.012 0.000 1.128 65 I HN 0.151 nan 8.210 nan 0.000 0.417 66 T N -1.793 112.746 114.554 -0.025 0.000 3.532 66 T HA 0.420 4.772 4.350 0.003 0.000 0.241 66 T C -1.766 172.923 174.700 -0.019 0.000 1.238 66 T CA -1.406 60.673 62.100 -0.034 0.000 1.405 66 T CB 0.300 69.152 68.868 -0.026 0.000 0.971 66 T HN -0.007 nan 8.240 nan 0.000 0.640 67 P HA -0.141 nan 4.420 nan 0.000 0.216 67 P C 1.162 178.465 177.300 0.006 0.000 1.150 67 P CA 1.204 64.297 63.100 -0.012 0.000 0.843 67 P CB 0.201 31.880 31.700 -0.035 0.000 0.787 68 N N -0.227 118.465 118.700 -0.013 0.000 2.207 68 N HA 0.004 4.746 4.740 0.003 0.000 0.182 68 N C 2.053 177.585 175.510 0.036 0.000 1.020 68 N CA 0.863 53.918 53.050 0.007 0.000 0.858 68 N CB -0.528 37.941 38.487 -0.031 0.000 0.991 68 N HN 0.214 nan 8.380 nan 0.000 0.427 69 L N 0.969 122.194 121.223 0.002 0.000 2.141 69 L HA -0.053 4.289 4.340 0.003 0.000 0.209 69 L C 2.289 179.166 176.870 0.012 0.000 1.094 69 L CA 0.725 55.564 54.840 -0.001 0.000 0.763 69 L CB -0.314 41.733 42.059 -0.020 0.000 0.908 69 L HN 0.069 nan 8.230 nan 0.000 0.437 70 S N -1.320 114.395 115.700 0.026 0.000 2.368 70 S HA -0.227 4.245 4.470 0.003 0.000 0.224 70 S C 1.906 176.538 174.600 0.053 0.000 1.029 70 S CA 1.189 59.409 58.200 0.033 0.000 0.988 70 S CB -0.352 62.870 63.200 0.036 0.000 0.838 70 S HN 0.496 nan 8.310 nan 0.000 0.462 71 H N 1.040 120.097 119.070 -0.022 0.000 2.353 71 H HA 0.051 4.609 4.556 0.003 0.000 0.300 71 H C 1.946 177.260 175.328 -0.024 0.000 1.090 71 H CA 1.243 57.278 56.048 -0.022 0.000 1.327 71 H CB -0.425 29.323 29.762 -0.024 0.000 1.383 71 H HN 0.192 nan 8.280 nan 0.000 0.508 72 L N 0.157 121.375 121.223 -0.009 0.000 2.083 72 L HA -0.035 4.307 4.340 0.003 0.000 0.209 72 L C 2.434 179.245 176.870 -0.099 0.000 1.083 72 L CA 1.779 56.578 54.840 -0.068 0.000 0.752 72 L CB -1.092 40.955 42.059 -0.022 0.000 0.899 72 L HN 0.411 nan 8.230 nan 0.000 0.433 73 A N -0.714 122.063 122.820 -0.071 0.000 1.873 73 A HA -0.186 4.136 4.320 0.003 0.000 0.215 73 A C 2.397 179.935 177.584 -0.076 0.000 1.186 73 A CA 1.483 53.482 52.037 -0.064 0.000 0.616 73 A CB -0.477 18.506 19.000 -0.029 0.000 0.823 73 A HN 0.429 nan 8.150 nan 0.000 0.442 74 R N -0.218 120.225 120.500 -0.095 0.000 2.091 74 R HA -0.161 4.181 4.340 0.003 0.000 0.238 74 R C 1.962 178.176 176.300 -0.143 0.000 1.136 74 R CA 1.708 57.743 56.100 -0.109 0.000 0.959 74 R CB -0.353 29.874 30.300 -0.122 0.000 0.856 74 R HN 0.673 nan 8.270 nan 0.000 0.437 75 E N -0.676 119.395 120.200 -0.215 0.000 2.274 75 E HA -0.044 4.308 4.350 0.003 0.000 0.194 75 E C 1.216 177.748 176.600 -0.114 0.000 0.996 75 E CA 0.791 57.076 56.400 -0.191 0.000 0.840 75 E CB 0.271 29.827 29.700 -0.240 0.000 0.772 75 E HN 0.424 nan 8.360 nan 0.000 0.491 76 G N 0.012 108.753 108.800 -0.099 0.000 3.259 76 G HA2 0.412 4.373 3.960 0.003 0.000 0.193 76 G HA3 0.412 4.373 3.960 0.003 0.000 0.193 76 G C -0.805 174.061 174.900 -0.057 0.000 1.457 76 G CA -0.332 44.724 45.100 -0.074 0.000 0.771 76 G HN -0.005 nan 8.290 nan 0.000 0.765 77 V N 0.477 120.356 119.914 -0.059 0.000 2.638 77 V HA 0.729 4.851 4.120 0.003 0.000 0.306 77 V C -0.691 175.386 176.094 -0.029 0.000 1.052 77 V CA -0.709 61.576 62.300 -0.026 0.000 0.885 77 V CB 1.760 33.588 31.823 0.009 0.000 0.999 77 V HN 0.852 nan 8.190 nan 0.000 0.424 78 R N 3.710 124.222 120.500 0.019 0.000 2.532 78 R HA 0.830 5.172 4.340 0.003 0.000 0.297 78 R C -0.669 175.701 176.300 0.117 0.000 0.984 78 R CA -0.034 56.097 56.100 0.051 0.000 0.884 78 R CB 1.721 32.035 30.300 0.023 0.000 1.182 78 R HN 0.916 nan 8.270 nan 0.000 0.442 79 A N 3.935 126.905 122.820 0.250 0.000 2.327 79 A HA 0.359 4.681 4.320 0.003 0.000 0.283 79 A C 0.538 178.186 177.584 0.106 0.000 1.127 79 A CA -0.633 51.523 52.037 0.198 0.000 0.810 79 A CB 0.625 19.877 19.000 0.419 0.000 1.066 79 A HN 1.013 nan 8.150 nan 0.000 0.492 80 R N 0.870 121.335 120.500 -0.060 0.000 2.119 80 R HA -0.128 4.214 4.340 0.003 0.000 0.246 80 R C 0.122 176.479 176.300 0.095 0.000 1.146 80 R CA 2.159 58.214 56.100 -0.076 0.000 0.962 80 R CB -0.186 29.934 30.300 -0.299 0.000 0.863 80 R HN 0.889 nan 8.270 nan 0.000 0.442 81 W N -2.893 118.512 121.300 0.176 0.000 2.926 81 W HA 0.421 5.083 4.660 0.003 0.000 0.361 81 W C -1.579 175.017 176.519 0.128 0.000 1.195 81 W CA -1.055 56.375 57.345 0.141 0.000 1.177 81 W CB 0.497 30.009 29.460 0.086 0.000 1.453 81 W HN -0.224 nan 8.180 nan 0.000 0.571 82 M N 2.546 122.384 119.600 0.397 0.000 2.213 82 M HA 0.618 5.099 4.480 0.003 0.000 0.286 82 M C -0.991 175.384 176.300 0.126 0.000 1.008 82 M CA -0.206 55.086 55.300 -0.013 0.000 0.937 82 M CB 1.758 34.264 32.600 -0.157 0.000 1.600 82 M HN 0.548 nan 8.290 nan 0.000 0.450 83 A N 7.299 130.198 122.820 0.131 0.000 2.320 83 A HA 0.742 5.064 4.320 0.003 0.000 0.287 83 A C -2.643 174.962 177.584 0.034 0.000 1.181 83 A CA -1.343 50.761 52.037 0.113 0.000 0.831 83 A CB -0.252 18.844 19.000 0.161 0.000 1.102 83 A HN 0.552 nan 8.150 nan 0.000 0.513 84 P HA 0.154 nan 4.420 nan 0.000 0.273 84 P C -0.068 177.261 177.300 0.047 0.000 1.250 84 P CA -0.131 62.994 63.100 0.043 0.000 0.793 84 P CB 0.570 32.305 31.700 0.058 0.000 1.011 85 S N -0.395 115.335 115.700 0.050 0.000 2.632 85 S HA 0.218 4.689 4.470 0.003 0.000 0.271 85 S C -0.375 174.223 174.600 -0.004 0.000 1.260 85 S CA -0.217 58.020 58.200 0.060 0.000 1.010 85 S CB -0.013 63.232 63.200 0.076 0.000 0.965 85 S HN 0.347 nan 8.310 nan 0.000 0.534 86 Y N 4.409 124.622 120.300 -0.145 0.000 2.402 86 Y HA 0.266 4.817 4.550 0.003 0.000 0.333 86 Y C -2.153 173.504 175.900 -0.405 0.000 1.076 86 Y CA -1.638 56.237 58.100 -0.375 0.000 1.299 86 Y CB 0.559 38.713 38.460 -0.511 0.000 1.197 86 Y HN 0.354 nan 8.280 nan 0.000 0.517 87 P HA 0.074 nan 4.420 nan 0.000 0.282 87 P C -0.688 176.251 177.300 -0.602 0.000 1.249 87 P CA -0.507 61.854 63.100 -1.232 0.000 0.806 87 P CB 1.255 32.314 31.700 -1.068 0.000 0.984 88 S N 2.749 118.119 115.700 -0.549 0.000 3.870 88 S HA 0.179 4.650 4.470 0.003 0.000 0.198 88 S C 0.393 174.885 174.600 -0.181 0.000 1.336 88 S CA -0.285 57.770 58.200 -0.241 0.000 1.049 88 S CB -1.475 61.624 63.200 -0.168 0.000 1.412 88 S HN 0.286 nan 8.310 nan 0.000 0.448 89 L N -0.057 121.073 121.223 -0.155 0.000 2.335 89 L HA 0.460 4.802 4.340 0.003 0.000 0.268 89 L C 1.625 178.632 176.870 0.227 0.000 1.016 89 L CA -0.956 53.865 54.840 -0.032 0.000 0.805 89 L CB 0.717 42.623 42.059 -0.255 0.000 1.311 89 L HN 0.155 nan 8.230 nan 0.000 0.456 90 T N -0.665 114.113 114.554 0.373 0.000 2.894 90 T HA -0.013 4.339 4.350 0.003 0.000 0.258 90 T C 1.426 176.454 174.700 0.548 0.000 1.043 90 T CA 1.351 63.772 62.100 0.535 0.000 1.141 90 T CB -0.095 69.113 68.868 0.568 0.000 0.873 90 T HN 0.281 nan 8.240 nan 0.000 0.449 91 F N 1.282 121.365 119.950 0.222 0.000 2.118 91 F HA 0.163 4.692 4.527 0.003 0.000 0.293 91 F C -0.801 175.163 175.800 0.273 0.000 1.102 91 F CA 0.118 58.256 58.000 0.230 0.000 1.247 91 F CB -1.519 37.586 39.000 0.175 0.000 1.017 91 F HN 0.106 nan 8.300 nan 0.000 0.475 92 P HA -0.198 nan 4.420 nan 0.000 0.216 92 P C 1.216 178.762 177.300 0.410 0.000 1.157 92 P CA 1.834 65.173 63.100 0.398 0.000 0.880 92 P CB -0.034 31.779 31.700 0.188 0.000 0.791 93 N N -2.109 116.757 118.700 0.277 0.000 2.300 93 N HA -0.092 4.650 4.740 0.003 0.000 0.179 93 N C 1.662 177.273 175.510 0.169 0.000 1.016 93 N CA 0.823 53.992 53.050 0.199 0.000 0.876 93 N CB -0.525 38.027 38.487 0.109 0.000 0.979 93 N HN 0.329 nan 8.380 nan 0.000 0.432 94 H N -0.898 118.279 119.070 0.178 0.000 2.387 94 H HA -0.095 4.463 4.556 0.003 0.000 0.299 94 H C 1.455 177.060 175.328 0.462 0.000 1.090 94 H CA 1.334 57.471 56.048 0.148 0.000 1.332 94 H CB -0.035 29.540 29.762 -0.312 0.000 1.386 94 H HN 0.222 nan 8.280 nan 0.000 0.516 95 Y N 0.567 121.062 120.300 0.325 0.000 2.420 95 Y HA -0.102 4.449 4.550 0.003 0.000 0.292 95 Y C 2.273 178.243 175.900 0.116 0.000 1.119 95 Y CA 1.065 59.286 58.100 0.201 0.000 1.229 95 Y CB -0.198 38.267 38.460 0.008 0.000 1.026 95 Y HN 0.072 nan 8.280 nan 0.000 0.554 96 T N 0.941 115.648 114.554 0.257 0.000 2.708 96 T HA -0.181 4.170 4.350 0.003 0.000 0.266 96 T C 2.103 176.907 174.700 0.172 0.000 1.037 96 T CA 1.702 63.970 62.100 0.280 0.000 1.146 96 T CB -0.542 68.528 68.868 0.336 0.000 0.865 96 T HN 0.272 nan 8.240 nan 0.000 0.435 97 L N 1.303 122.674 121.223 0.246 0.000 2.089 97 L HA -0.131 4.211 4.340 0.003 0.000 0.213 97 L C 2.526 179.542 176.870 0.243 0.000 1.079 97 L CA 1.290 56.302 54.840 0.287 0.000 0.758 97 L CB -0.617 41.706 42.059 0.440 0.000 0.891 97 L HN 0.295 nan 8.230 nan 0.000 0.433 98 V N -5.516 114.498 119.914 0.168 0.000 3.650 98 V HA 0.045 4.167 4.120 0.003 0.000 0.271 98 V C 1.848 177.901 176.094 -0.068 0.000 1.281 98 V CA 1.022 63.313 62.300 -0.015 0.000 1.120 98 V CB -0.242 31.447 31.823 -0.225 0.000 0.856 98 V HN 0.504 nan 8.190 nan 0.000 0.443 99 T N -3.840 110.587 114.554 -0.212 0.000 2.969 99 T HA 0.407 4.759 4.350 0.003 0.000 0.250 99 T C 1.730 176.025 174.700 -0.675 0.000 1.021 99 T CA 0.790 62.606 62.100 -0.473 0.000 1.003 99 T CB 0.410 68.941 68.868 -0.561 0.000 1.040 99 T HN 1.441 nan 8.240 nan 0.000 0.492 100 G N 1.588 110.239 108.800 -0.248 0.000 2.179 100 G HA2 -0.209 3.753 3.960 0.003 0.000 0.257 100 G HA3 -0.209 3.753 3.960 0.003 0.000 0.257 100 G C -0.167 174.691 174.900 -0.069 0.000 1.010 100 G CA 0.404 45.430 45.100 -0.124 0.000 0.736 100 G HN 0.631 nan 8.290 nan 0.000 0.513 101 L N 0.137 121.360 121.223 0.000 0.000 2.346 101 L HA 0.608 4.950 4.340 0.003 0.000 0.274 101 L C 0.778 177.734 176.870 0.142 0.000 1.007 101 L CA -1.474 53.432 54.840 0.111 0.000 0.818 101 L CB 1.291 43.438 42.059 0.147 0.000 1.284 101 L HN -0.039 nan 8.230 nan 0.000 0.424 102 R N 2.515 123.068 120.500 0.088 0.000 2.640 102 R HA 0.043 4.385 4.340 0.003 0.000 0.270 102 R C -1.699 174.387 176.300 -0.355 0.000 1.024 102 R CA -1.836 54.226 56.100 -0.065 0.000 1.085 102 R CB -0.032 30.199 30.300 -0.114 0.000 0.963 102 R HN 0.316 nan 8.270 nan 0.000 0.426 103 P HA -0.155 nan 4.420 nan 0.000 0.220 103 P C 0.627 177.719 177.300 -0.347 0.000 1.144 103 P CA 1.174 63.852 63.100 -0.703 0.000 0.800 103 P CB 0.247 31.893 31.700 -0.090 0.000 0.772 104 D N -2.158 118.128 120.400 -0.190 0.000 2.219 104 D HA -0.138 4.504 4.640 0.003 0.000 0.205 104 D C 1.606 177.882 176.300 -0.041 0.000 0.970 104 D CA 1.239 55.137 54.000 -0.170 0.000 0.851 104 D CB -0.226 40.428 40.800 -0.243 0.000 0.943 104 D HN 0.356 nan 8.370 nan 0.000 0.488 105 H N -2.236 116.840 119.070 0.009 0.000 2.406 105 H HA 0.087 4.644 4.556 0.003 0.000 0.304 105 H C 1.788 177.212 175.328 0.158 0.000 1.042 105 H CA 0.802 56.905 56.048 0.092 0.000 1.360 105 H CB 0.045 29.834 29.762 0.046 0.000 1.448 105 H HN 0.355 nan 8.280 nan 0.000 0.553 106 H N -0.730 118.487 119.070 0.244 0.000 2.547 106 H HA 0.118 4.676 4.556 0.003 0.000 0.272 106 H C 1.506 176.939 175.328 0.175 0.000 0.989 106 H CA 0.528 56.723 56.048 0.245 0.000 1.214 106 H CB 0.300 30.226 29.762 0.274 0.000 1.389 106 H HN 0.533 nan 8.280 nan 0.000 0.577 107 G N 1.815 110.662 108.800 0.079 0.000 2.284 107 G HA2 -0.274 3.688 3.960 0.003 0.000 0.247 107 G HA3 -0.274 3.688 3.960 0.003 0.000 0.247 107 G C 0.371 175.153 174.900 -0.196 0.000 1.012 107 G CA 0.203 45.085 45.100 -0.364 0.000 0.618 107 G HN 0.352 nan 8.290 nan 0.000 0.521 108 I N 3.496 124.154 120.570 0.147 0.000 2.352 108 I HA 0.180 4.352 4.170 0.003 0.000 0.303 108 I C 2.063 178.242 176.117 0.104 0.000 1.194 108 I CA 0.500 61.773 61.300 -0.045 0.000 1.518 108 I CB -0.185 37.749 38.000 -0.110 0.000 1.489 108 I HN 0.310 nan 8.210 nan 0.000 0.702 109 V N 1.796 121.697 119.914 -0.022 0.000 3.052 109 V HA 0.176 4.298 4.120 0.003 0.000 0.254 109 V C 0.882 177.110 176.094 0.223 0.000 1.100 109 V CA 0.861 63.232 62.300 0.118 0.000 1.112 109 V CB -0.390 31.458 31.823 0.041 0.000 0.738 109 V HN 0.702 nan 8.190 nan 0.000 0.469 110 H N -0.525 118.556 119.070 0.017 0.000 2.960 110 H HA 0.407 4.964 4.556 0.003 0.000 0.323 110 H C 0.293 175.608 175.328 -0.022 0.000 1.326 110 H CA -0.285 55.763 56.048 -0.000 0.000 1.124 110 H CB 1.936 31.702 29.762 0.006 0.000 1.853 110 H HN -0.072 nan 8.280 nan 0.000 0.536 111 N N 0.081 118.836 118.700 0.092 0.000 2.188 111 N HA -0.062 4.680 4.740 0.003 0.000 0.184 111 N C -0.173 175.473 175.510 0.227 0.000 1.018 111 N CA 0.913 54.030 53.050 0.111 0.000 0.858 111 N CB 0.162 38.676 38.487 0.046 0.000 0.989 111 N HN 0.244 nan 8.380 nan 0.000 0.426 112 S N 0.421 116.315 115.700 0.324 0.000 2.454 112 S HA 0.620 5.091 4.470 0.003 0.000 0.306 112 S C -0.082 174.578 174.600 0.101 0.000 1.100 112 S CA -0.552 57.774 58.200 0.209 0.000 1.087 112 S CB 2.293 65.537 63.200 0.073 0.000 1.019 112 S HN 0.032 nan 8.310 nan 0.000 0.480 113 M N 2.079 121.756 119.600 0.128 0.000 2.569 113 M HA 0.491 4.973 4.480 0.003 0.000 0.279 113 M C -1.043 175.386 176.300 0.216 0.000 1.253 113 M CA -0.561 54.804 55.300 0.110 0.000 0.867 113 M CB 2.620 35.250 32.600 0.051 0.000 1.727 113 M HN 0.480 nan 8.290 nan 0.000 0.467 114 R N 0.452 121.102 120.500 0.248 0.000 2.740 114 R HA 0.600 4.942 4.340 0.003 0.000 0.282 114 R C -1.533 174.967 176.300 0.333 0.000 0.969 114 R CA -0.924 55.361 56.100 0.309 0.000 0.918 114 R CB 2.112 32.516 30.300 0.174 0.000 1.175 114 R HN 0.611 nan 8.270 nan 0.000 0.464 115 D N 1.904 122.492 120.400 0.313 0.000 2.879 115 D HA 0.219 4.861 4.640 0.003 0.000 0.236 115 D C -2.026 174.302 176.300 0.046 0.000 1.171 115 D CA -2.058 51.994 54.000 0.086 0.000 0.868 115 D CB 2.651 43.310 40.800 -0.234 0.000 1.598 115 D HN 0.066 nan 8.370 nan 0.000 0.497 116 P HA -0.151 nan 4.420 nan 0.000 0.218 116 P C 0.983 178.280 177.300 -0.005 0.000 1.154 116 P CA 1.807 64.910 63.100 0.006 0.000 0.872 116 P CB 0.351 32.044 31.700 -0.012 0.000 0.790 117 T N -2.143 112.383 114.554 -0.048 0.000 3.033 117 T HA 0.159 4.511 4.350 0.003 0.000 0.248 117 T C 1.589 176.268 174.700 -0.035 0.000 1.040 117 T CA 0.487 62.559 62.100 -0.048 0.000 1.133 117 T CB -0.383 68.436 68.868 -0.081 0.000 0.895 117 T HN 0.046 nan 8.240 nan 0.000 0.465 118 L N 0.664 121.838 121.223 -0.082 0.000 2.529 118 L HA 0.363 4.705 4.340 0.003 0.000 0.223 118 L C 1.790 178.809 176.870 0.249 0.000 1.113 118 L CA 0.134 54.970 54.840 -0.008 0.000 0.861 118 L CB -0.883 40.927 42.059 -0.415 0.000 1.012 118 L HN 0.488 nan 8.230 nan 0.000 0.461 119 G N 0.405 109.339 108.800 0.223 0.000 2.528 119 G HA2 -0.248 3.714 3.960 0.003 0.000 0.262 119 G HA3 -0.248 3.714 3.960 0.003 0.000 0.262 119 G C 0.272 175.453 174.900 0.467 0.000 1.200 119 G CA -0.400 44.870 45.100 0.284 0.000 0.951 119 G HN 0.472 nan 8.290 nan 0.000 0.566 120 G N -0.741 108.296 108.800 0.395 0.000 2.420 120 G HA2 0.674 4.636 3.960 0.003 0.000 0.284 120 G HA3 0.674 4.636 3.960 0.003 0.000 0.284 120 G C -0.940 174.140 174.900 0.301 0.000 1.177 120 G CA 0.336 45.690 45.100 0.422 0.000 0.841 120 G HN 1.375 nan 8.290 nan 0.000 0.527 121 F N 2.453 122.375 119.950 -0.047 0.000 2.539 121 F HA 0.698 5.227 4.527 0.003 0.000 0.318 121 F C -0.931 174.838 175.800 -0.052 0.000 1.135 121 F CA -1.194 56.477 58.000 -0.548 0.000 0.915 121 F CB 1.431 39.521 39.000 -1.516 0.000 1.176 121 F HN 0.729 nan 8.300 nan 0.000 0.440 122 W N 4.954 125.872 121.300 -0.637 0.000 2.959 122 W HA 0.452 5.114 4.660 0.004 0.000 0.358 122 W C -1.106 174.999 176.519 -0.691 0.000 1.228 122 W CA -1.114 55.946 57.345 -0.475 0.000 1.183 122 W CB 0.514 29.839 29.460 -0.224 0.000 1.467 122 W HN 0.416 nan 8.180 nan 0.000 0.578 123 L N 2.027 123.015 121.223 -0.392 0.000 2.353 123 L HA -0.078 4.263 4.340 0.003 0.000 0.220 123 L C 1.634 178.267 176.870 -0.395 0.000 1.133 123 L CA 1.657 56.167 54.840 -0.549 0.000 0.798 123 L CB -0.707 41.099 42.059 -0.422 0.000 0.922 123 L HN 0.614 nan 8.230 nan 0.000 0.445 124 S N -1.386 114.079 115.700 -0.392 0.000 2.651 124 S HA 0.137 4.609 4.470 0.003 0.000 0.246 124 S C 0.243 174.466 174.600 -0.627 0.000 1.039 124 S CA -0.618 57.392 58.200 -0.317 0.000 1.013 124 S CB 0.026 63.227 63.200 0.003 0.000 0.861 124 S HN 0.248 nan 8.310 nan 0.000 0.485 125 K N 2.089 121.832 120.400 -1.095 0.000 2.473 125 K HA 0.323 4.645 4.320 0.003 0.000 0.246 125 K C 1.028 177.246 176.600 -0.636 0.000 1.011 125 K CA -0.039 55.645 56.287 -1.006 0.000 0.984 125 K CB 0.733 32.242 32.500 -1.651 0.000 1.250 125 K HN 0.268 nan 8.250 nan 0.000 0.454 126 S N 2.776 118.262 115.700 -0.358 0.000 2.383 126 S HA -0.156 4.316 4.470 0.003 0.000 0.227 126 S C 1.323 175.853 174.600 -0.117 0.000 1.026 126 S CA 1.066 59.154 58.200 -0.187 0.000 0.981 126 S CB -0.115 63.037 63.200 -0.080 0.000 0.818 126 S HN 0.793 nan 8.310 nan 0.000 0.472 127 E N 1.705 121.835 120.200 -0.116 0.000 2.502 127 E HA 0.237 4.589 4.350 0.003 0.000 0.194 127 E C 1.573 178.173 176.600 -0.000 0.000 1.062 127 E CA 0.658 57.043 56.400 -0.024 0.000 0.867 127 E CB -0.169 29.531 29.700 -0.001 0.000 0.888 127 E HN 0.634 nan 8.360 nan 0.000 0.510 128 A N 1.329 124.057 122.820 -0.153 0.000 1.871 128 A HA 0.076 4.398 4.320 0.003 0.000 0.211 128 A C 2.409 179.903 177.584 -0.150 0.000 1.207 128 A CA 0.724 52.664 52.037 -0.161 0.000 0.620 128 A CB -0.565 18.104 19.000 -0.552 0.000 0.860 128 A HN 0.116 nan 8.150 nan 0.000 0.450 129 V N 0.329 120.014 119.914 -0.381 0.000 2.469 129 V HA -0.180 3.942 4.120 0.003 0.000 0.251 129 V C 2.524 178.822 176.094 0.340 0.000 1.064 129 V CA 1.956 64.268 62.300 0.021 0.000 1.066 129 V CB -1.132 30.627 31.823 -0.106 0.000 0.667 129 V HN 0.615 nan 8.190 nan 0.000 0.461 130 G N -1.075 107.814 108.800 0.147 0.000 2.985 130 G HA2 -0.074 3.888 3.960 0.003 0.000 0.209 130 G HA3 -0.074 3.888 3.960 0.003 0.000 0.209 130 G C 0.409 175.413 174.900 0.174 0.000 1.165 130 G CA 0.011 45.169 45.100 0.096 0.000 0.776 130 G HN 0.458 nan 8.290 nan 0.000 0.541 131 D N 1.022 121.625 120.400 0.340 0.000 2.365 131 D HA 0.427 5.069 4.640 0.003 0.000 0.237 131 D C 1.594 178.208 176.300 0.522 0.000 1.190 131 D CA 0.015 54.246 54.000 0.385 0.000 0.867 131 D CB 1.389 42.478 40.800 0.481 0.000 1.050 131 D HN 0.017 nan 8.370 nan 0.000 0.491 132 A N 5.160 128.181 122.820 0.336 0.000 2.032 132 A HA -0.235 4.087 4.320 0.003 0.000 0.221 132 A C 2.050 179.859 177.584 0.374 0.000 1.165 132 A CA 1.234 53.481 52.037 0.351 0.000 0.645 132 A CB -0.211 18.891 19.000 0.169 0.000 0.807 132 A HN 0.669 nan 8.150 nan 0.000 0.453 133 R N -1.927 118.714 120.500 0.234 0.000 2.152 133 R HA -0.189 4.153 4.340 0.003 0.000 0.232 133 R C 1.740 178.028 176.300 -0.020 0.000 1.117 133 R CA 1.475 57.612 56.100 0.062 0.000 0.981 133 R CB -0.320 29.940 30.300 -0.067 0.000 0.870 133 R HN 0.786 nan 8.270 nan 0.000 0.451 134 W N -0.409 120.911 121.300 0.035 0.000 2.425 134 W HA -0.086 4.576 4.660 0.003 0.000 0.277 134 W C 0.040 176.331 176.519 -0.379 0.000 1.231 134 W CA 0.086 57.270 57.345 -0.267 0.000 1.248 134 W CB -0.052 29.099 29.460 -0.514 0.000 1.117 134 W HN 0.012 nan 8.180 nan 0.000 0.568 135 W N 1.171 122.572 121.300 0.168 0.000 2.283 135 W HA 0.559 5.221 4.660 0.003 0.000 0.317 135 W C 0.629 177.268 176.519 0.200 0.000 1.042 135 W CA -1.031 56.343 57.345 0.047 0.000 1.348 135 W CB 0.187 29.590 29.460 -0.095 0.000 1.216 135 W HN -0.274 nan 8.180 nan 0.000 0.404 136 G N 1.440 110.515 108.800 0.459 0.000 2.528 136 G HA2 0.588 4.550 3.960 0.003 0.000 0.289 136 G HA3 0.588 4.550 3.960 0.003 0.000 0.289 136 G C 0.479 175.591 174.900 0.354 0.000 1.192 136 G CA 0.174 45.488 45.100 0.356 0.000 0.921 136 G HN 0.965 nan 8.290 nan 0.000 0.512 137 G N -0.703 108.209 108.800 0.187 0.000 2.698 137 G HA2 -0.117 3.845 3.960 0.003 0.000 0.233 137 G HA3 -0.117 3.845 3.960 0.003 0.000 0.233 137 G C -0.163 174.759 174.900 0.036 0.000 1.352 137 G CA 0.300 45.440 45.100 0.066 0.000 0.879 137 G HN 0.927 nan 8.290 nan 0.000 0.567 138 E N 0.857 121.007 120.200 -0.084 0.000 2.220 138 E HA 0.528 4.880 4.350 0.003 0.000 0.256 138 E C -2.425 174.031 176.600 -0.238 0.000 0.881 138 E CA -2.116 54.218 56.400 -0.110 0.000 0.766 138 E CB 2.147 31.809 29.700 -0.064 0.000 1.187 138 E HN 0.377 nan 8.360 nan 0.000 0.419 139 P HA 0.007 nan 4.420 nan 0.000 0.276 139 P C 1.202 178.126 177.300 -0.627 0.000 1.244 139 P CA -0.360 62.321 63.100 -0.699 0.000 0.801 139 P CB 1.146 32.067 31.700 -1.299 0.000 1.006 140 V N -1.142 118.499 119.914 -0.455 0.000 2.380 140 V HA -0.256 3.866 4.120 0.003 0.000 0.251 140 V C 2.065 178.056 176.094 -0.171 0.000 1.063 140 V CA 1.991 64.146 62.300 -0.242 0.000 1.055 140 V CB -2.301 29.404 31.823 -0.196 0.000 0.657 140 V HN 0.727 nan 8.190 nan 0.000 0.455 141 W N 0.629 121.884 121.300 -0.074 0.000 2.363 141 W HA 0.053 4.715 4.660 0.002 0.000 0.296 141 W C 1.968 178.461 176.519 -0.044 0.000 1.212 141 W CA 1.058 58.361 57.345 -0.071 0.000 1.260 141 W CB -1.555 27.849 29.460 -0.094 0.000 1.131 141 W HN 0.072 nan 8.180 nan 0.000 0.530 142 V N 2.261 122.111 119.914 -0.107 0.000 2.427 142 V HA -0.137 3.985 4.120 0.003 0.000 0.248 142 V C 2.520 178.607 176.094 -0.012 0.000 1.051 142 V CA 2.134 64.431 62.300 -0.005 0.000 1.048 142 V CB -1.453 30.319 31.823 -0.086 0.000 0.666 142 V HN 0.485 nan 8.190 nan 0.000 0.456 143 G N -0.530 108.239 108.800 -0.052 0.000 2.403 143 G HA2 -0.139 3.823 3.960 0.003 0.000 0.216 143 G HA3 -0.139 3.823 3.960 0.003 0.000 0.216 143 G C 1.638 176.526 174.900 -0.021 0.000 1.154 143 G CA 1.017 46.100 45.100 -0.028 0.000 0.784 143 G HN 0.367 nan 8.290 nan 0.000 0.538 144 V N 0.761 120.668 119.914 -0.011 0.000 2.307 144 V HA -0.119 4.003 4.120 0.003 0.000 0.245 144 V C 2.785 178.870 176.094 -0.014 0.000 1.045 144 V CA 1.908 64.202 62.300 -0.010 0.000 1.024 144 V CB -0.251 31.584 31.823 0.020 0.000 0.651 144 V HN 0.333 nan 8.190 nan 0.000 0.449 145 E N 0.182 120.400 120.200 0.032 0.000 2.072 145 E HA -0.160 4.192 4.350 0.003 0.000 0.191 145 E C 1.928 178.533 176.600 0.009 0.000 0.985 145 E CA 0.849 57.272 56.400 0.037 0.000 0.801 145 E CB -0.467 29.297 29.700 0.107 0.000 0.750 145 E HN 0.533 nan 8.360 nan 0.000 0.452 146 N N 0.846 119.554 118.700 0.013 0.000 2.585 146 N HA -0.087 4.654 4.740 0.003 0.000 0.188 146 N C 1.373 176.875 175.510 -0.014 0.000 1.102 146 N CA 1.232 54.285 53.050 0.004 0.000 0.920 146 N CB -0.159 38.331 38.487 0.006 0.000 0.963 146 N HN 0.260 nan 8.380 nan 0.000 0.447 147 T N -4.630 109.904 114.554 -0.033 0.000 3.105 147 T HA 0.412 4.764 4.350 0.003 0.000 0.253 147 T C 1.324 175.982 174.700 -0.070 0.000 1.047 147 T CA 0.323 62.395 62.100 -0.045 0.000 0.944 147 T CB 0.634 69.473 68.868 -0.048 0.000 1.016 147 T HN 0.199 nan 8.240 nan 0.000 0.544 148 G N 0.874 109.621 108.800 -0.089 0.000 2.241 148 G HA2 -0.252 3.710 3.960 0.003 0.000 0.244 148 G HA3 -0.252 3.710 3.960 0.003 0.000 0.244 148 G C 0.071 174.763 174.900 -0.346 0.000 0.998 148 G CA 0.052 45.071 45.100 -0.134 0.000 0.621 148 G HN 0.621 nan 8.290 nan 0.000 0.519 149 Q N -0.114 119.492 119.800 -0.325 0.000 2.272 149 Q HA 0.613 4.955 4.340 0.003 0.000 0.192 149 Q C -0.187 175.456 176.000 -0.595 0.000 1.059 149 Q CA -0.464 55.072 55.803 -0.444 0.000 1.084 149 Q CB 0.559 29.189 28.738 -0.181 0.000 1.139 149 Q HN 0.556 nan 8.270 nan 0.000 0.593 150 H N -1.179 117.897 119.070 0.011 0.000 2.717 150 H HA 0.608 5.166 4.556 0.002 0.000 0.366 150 H C -1.289 174.039 175.328 0.001 0.000 1.132 150 H CA -0.681 55.368 56.048 0.002 0.000 1.180 150 H CB 1.718 31.471 29.762 -0.014 0.000 1.678 150 H HN 0.695 nan 8.280 nan 0.000 0.537 151 A N 1.424 124.319 122.820 0.126 0.000 2.340 151 A HA 0.827 5.149 4.320 0.003 0.000 0.331 151 A C -0.720 176.826 177.584 -0.063 0.000 1.140 151 A CA -0.418 51.656 52.037 0.061 0.000 0.801 151 A CB 1.171 20.253 19.000 0.136 0.000 1.234 151 A HN 0.765 nan 8.150 nan 0.000 0.469 152 A N 1.378 124.125 122.820 -0.123 0.000 2.385 152 A HA 0.727 5.049 4.320 0.003 0.000 0.290 152 A C -0.240 177.217 177.584 -0.211 0.000 1.094 152 A CA -0.005 51.814 52.037 -0.364 0.000 0.729 152 A CB 0.821 19.459 19.000 -0.603 0.000 1.194 152 A HN 1.619 nan 8.150 nan 0.000 0.442 153 T N -0.403 114.004 114.554 -0.245 0.000 2.792 153 T HA 0.496 4.848 4.350 0.003 0.000 0.280 153 T C -0.502 174.301 174.700 0.172 0.000 0.990 153 T CA -0.408 61.674 62.100 -0.030 0.000 0.960 153 T CB 1.168 69.875 68.868 -0.269 0.000 0.939 153 T HN 0.737 nan 8.240 nan 0.000 0.439 154 W N 5.256 126.727 121.300 0.285 0.000 2.433 154 W HA 0.311 4.973 4.660 0.003 0.000 0.331 154 W C 0.798 177.429 176.519 0.186 0.000 1.110 154 W CA 0.273 57.788 57.345 0.284 0.000 1.450 154 W CB 0.037 29.656 29.460 0.265 0.000 1.348 154 W HN 1.313 nan 8.180 nan 0.000 0.415 155 S N 4.188 119.791 115.700 -0.161 0.000 3.477 155 S HA -0.277 4.195 4.470 0.003 0.000 0.357 155 S C 0.022 174.504 174.600 -0.197 0.000 1.083 155 S CA 0.596 58.704 58.200 -0.153 0.000 1.042 155 S CB -2.093 61.080 63.200 -0.045 0.000 0.911 155 S HN 0.566 nan 8.310 nan 0.000 0.490 156 W N 2.111 123.257 121.300 -0.258 0.000 2.304 156 W HA 0.398 5.060 4.660 0.003 0.000 0.313 156 W C -2.565 173.723 176.519 -0.385 0.000 1.323 156 W CA -2.156 55.031 57.345 -0.263 0.000 1.223 156 W CB 0.403 29.826 29.460 -0.061 0.000 1.237 156 W HN 0.154 nan 8.180 nan 0.000 0.535 157 P HA -0.026 nan 4.420 nan 0.000 0.255 157 P C 0.623 177.773 177.300 -0.251 0.000 1.161 157 P CA 2.411 65.144 63.100 -0.613 0.000 0.768 157 P CB 0.028 31.103 31.700 -1.043 0.000 0.746 158 G N 2.885 111.214 108.800 -0.785 0.000 2.232 158 G HA2 -0.287 3.674 3.960 0.003 0.000 0.226 158 G HA3 -0.287 3.674 3.960 0.003 0.000 0.226 158 G C 1.123 175.595 174.900 -0.714 0.000 0.996 158 G CA 0.327 44.505 45.100 -1.536 0.000 0.626 158 G HN 0.591 nan 8.290 nan 0.000 0.509 159 S N 0.207 115.560 115.700 -0.579 0.000 2.607 159 S HA 0.199 4.671 4.470 0.003 0.000 0.224 159 S C 1.257 175.419 174.600 -0.730 0.000 0.969 159 S CA 1.243 58.954 58.200 -0.815 0.000 0.927 159 S CB -0.089 62.585 63.200 -0.877 0.000 0.772 159 S HN 0.624 nan 8.310 nan 0.000 0.533 160 E N 0.816 120.645 120.200 -0.619 0.000 2.463 160 E HA 0.458 4.810 4.350 0.003 0.000 0.193 160 E C 0.325 176.495 176.600 -0.716 0.000 1.041 160 E CA -0.024 55.960 56.400 -0.694 0.000 0.879 160 E CB 0.621 30.113 29.700 -0.347 0.000 0.997 160 E HN 0.639 nan 8.360 nan 0.000 0.478 161 A N 0.997 123.432 122.820 -0.641 0.000 2.423 161 A HA 0.707 5.029 4.320 0.003 0.000 0.304 161 A C -0.581 176.782 177.584 -0.369 0.000 1.104 161 A CA -0.675 51.121 52.037 -0.403 0.000 0.757 161 A CB 1.374 20.217 19.000 -0.261 0.000 1.313 161 A HN 0.117 nan 8.150 nan 0.000 0.423 162 A N 2.000 124.695 122.820 -0.207 0.000 3.056 162 A HA 0.523 4.845 4.320 0.003 0.000 0.274 162 A C 0.028 177.603 177.584 -0.015 0.000 1.661 162 A CA -0.202 51.761 52.037 -0.123 0.000 1.363 162 A CB -1.205 17.748 19.000 -0.079 0.000 1.139 162 A HN 0.642 nan 8.150 nan 0.000 0.598 163 I N 1.639 122.218 120.570 0.015 0.000 2.598 163 I HA -0.016 4.155 4.170 0.003 0.000 0.284 163 I C 0.533 176.700 176.117 0.083 0.000 1.140 163 I CA 0.048 61.402 61.300 0.090 0.000 1.420 163 I CB 0.463 38.540 38.000 0.129 0.000 1.387 163 I HN 0.629 nan 8.210 nan 0.000 0.553 164 K N 5.050 125.505 120.400 0.090 0.000 3.311 164 K HA -0.238 4.084 4.320 0.003 0.000 0.270 164 K C 0.903 177.532 176.600 0.048 0.000 0.927 164 K CA 0.584 56.910 56.287 0.064 0.000 0.706 164 K CB -1.882 30.648 32.500 0.051 0.000 1.418 164 K HN 1.211 nan 8.250 nan 0.000 0.459 165 G N -0.827 107.999 108.800 0.044 0.000 2.296 165 G HA2 -0.309 3.653 3.960 0.003 0.000 0.282 165 G HA3 -0.309 3.653 3.960 0.003 0.000 0.282 165 G C 0.039 174.953 174.900 0.024 0.000 1.014 165 G CA 0.389 45.507 45.100 0.029 0.000 0.812 165 G HN 0.320 nan 8.290 nan 0.000 0.508 166 V N 0.394 120.324 119.914 0.028 0.000 2.447 166 V HA 0.467 4.588 4.120 0.003 0.000 0.292 166 V C 0.493 176.602 176.094 0.025 0.000 1.021 166 V CA -1.010 61.314 62.300 0.040 0.000 0.850 166 V CB 1.493 33.357 31.823 0.068 0.000 1.005 166 V HN 0.414 nan 8.190 nan 0.000 0.426 167 R N 4.571 125.043 120.500 -0.047 0.000 2.457 167 R HA 0.523 4.865 4.340 0.003 0.000 0.284 167 R C -2.510 173.741 176.300 -0.082 0.000 1.024 167 R CA -1.710 54.274 56.100 -0.193 0.000 1.025 167 R CB 1.234 31.364 30.300 -0.284 0.000 1.063 167 R HN 0.394 nan 8.270 nan 0.000 0.493 168 P HA 0.063 nan 4.420 nan 0.000 0.272 168 P C -0.002 177.325 177.300 0.046 0.000 1.230 168 P CA -0.066 62.982 63.100 -0.088 0.000 0.788 168 P CB 0.680 32.202 31.700 -0.297 0.000 0.949 169 S N -0.748 114.951 115.700 -0.002 0.000 2.383 169 S HA -0.094 4.378 4.470 0.003 0.000 0.227 169 S C 0.691 175.204 174.600 -0.145 0.000 1.026 169 S CA 1.223 59.384 58.200 -0.065 0.000 0.981 169 S CB -0.243 62.866 63.200 -0.152 0.000 0.818 169 S HN 0.525 nan 8.310 nan 0.000 0.472 170 Q N 0.595 120.230 119.800 -0.273 0.000 2.331 170 Q HA 0.423 4.765 4.340 0.003 0.000 0.267 170 Q C -0.598 175.233 176.000 -0.280 0.000 1.006 170 Q CA -0.409 55.111 55.803 -0.471 0.000 0.818 170 Q CB 1.973 30.050 28.738 -1.102 0.000 1.276 170 Q HN 0.603 nan 8.270 nan 0.000 0.450 171 W N 1.671 122.737 121.300 -0.390 0.000 2.895 171 W HA 0.683 5.344 4.660 0.002 0.000 0.377 171 W C -1.269 175.060 176.519 -0.317 0.000 1.191 171 W CA -0.793 56.328 57.345 -0.373 0.000 1.179 171 W CB 1.027 30.239 29.460 -0.415 0.000 1.469 171 W HN 0.692 nan 8.180 nan 0.000 0.577 172 R N 0.041 120.492 120.500 -0.082 0.000 2.741 172 R HA 0.368 4.710 4.340 0.003 0.000 0.274 172 R C -1.534 174.681 176.300 -0.143 0.000 1.029 172 R CA -0.871 55.058 56.100 -0.285 0.000 0.880 172 R CB 1.571 31.641 30.300 -0.384 0.000 1.264 172 R HN 0.569 nan 8.270 nan 0.000 0.465 173 H N 1.118 120.157 119.070 -0.053 0.000 2.723 173 H HA 0.096 4.653 4.556 0.003 0.000 0.294 173 H C -0.697 174.585 175.328 -0.077 0.000 1.079 173 H CA -0.303 55.744 56.048 -0.001 0.000 1.411 173 H CB 0.531 30.290 29.762 -0.005 0.000 1.439 173 H HN 0.451 nan 8.280 nan 0.000 0.474 174 Y N 4.361 124.622 120.300 -0.066 0.000 2.881 174 Y HA -0.132 4.419 4.550 0.003 0.000 0.335 174 Y C 0.317 176.198 175.900 -0.033 0.000 1.263 174 Y CA 0.234 58.274 58.100 -0.099 0.000 1.572 174 Y CB 0.400 38.806 38.460 -0.089 0.000 1.237 174 Y HN 0.599 nan 8.280 nan 0.000 0.568 175 Q N 5.174 124.534 119.800 -0.733 0.000 2.394 175 Q HA 0.478 4.820 4.340 0.003 0.000 0.273 175 Q C -1.172 174.363 176.000 -0.774 0.000 1.089 175 Q CA -1.458 54.015 55.803 -0.549 0.000 0.812 175 Q CB 1.922 30.512 28.738 -0.246 0.000 1.353 175 Q HN 0.403 nan 8.270 nan 0.000 0.438 176 K N 0.504 120.672 120.400 -0.386 0.000 2.276 176 K HA 0.218 4.540 4.320 0.003 0.000 0.259 176 K C 0.872 177.412 176.600 -0.100 0.000 1.001 176 K CA 0.939 57.123 56.287 -0.173 0.000 0.927 176 K CB 0.323 32.824 32.500 0.002 0.000 0.969 176 K HN 1.066 nan 8.250 nan 0.000 0.490 177 G N 0.059 108.845 108.800 -0.023 0.000 2.179 177 G HA2 -0.234 3.728 3.960 0.003 0.000 0.257 177 G HA3 -0.234 3.728 3.960 0.003 0.000 0.257 177 G C 0.121 175.055 174.900 0.056 0.000 1.010 177 G CA 0.276 45.388 45.100 0.021 0.000 0.736 177 G HN 0.307 nan 8.290 nan 0.000 0.513 178 V N 0.185 120.150 119.914 0.084 0.000 2.775 178 V HA 0.364 4.486 4.120 0.003 0.000 0.299 178 V C 1.377 177.583 176.094 0.187 0.000 1.062 178 V CA -0.320 62.073 62.300 0.155 0.000 1.063 178 V CB 1.005 33.004 31.823 0.293 0.000 0.994 178 V HN 0.484 nan 8.190 nan 0.000 0.483 179 R N 2.579 123.158 120.500 0.132 0.000 2.582 179 R HA 0.309 4.651 4.340 0.003 0.000 0.271 179 R C 1.126 177.477 176.300 0.085 0.000 1.078 179 R CA -0.509 55.657 56.100 0.110 0.000 1.127 179 R CB 0.393 30.722 30.300 0.049 0.000 1.038 179 R HN 0.569 nan 8.270 nan 0.000 0.500 180 L N 1.416 122.685 121.223 0.076 0.000 2.017 180 L HA -0.251 4.091 4.340 0.003 0.000 0.208 180 L C 2.066 178.916 176.870 -0.034 0.000 1.073 180 L CA 1.569 56.432 54.840 0.038 0.000 0.745 180 L CB -0.467 41.550 42.059 -0.071 0.000 0.894 180 L HN 0.812 nan 8.230 nan 0.000 0.432 181 D N -1.567 118.800 120.400 -0.055 0.000 2.224 181 D HA -0.149 4.493 4.640 0.003 0.000 0.205 181 D C 1.816 178.034 176.300 -0.137 0.000 0.965 181 D CA 1.509 55.457 54.000 -0.087 0.000 0.852 181 D CB -0.458 40.303 40.800 -0.065 0.000 0.947 181 D HN 0.206 nan 8.370 nan 0.000 0.494 182 T N 1.333 115.809 114.554 -0.131 0.000 2.674 182 T HA -0.171 4.181 4.350 0.003 0.000 0.265 182 T C 2.085 176.549 174.700 -0.393 0.000 1.039 182 T CA 2.033 64.034 62.100 -0.164 0.000 1.150 182 T CB -0.175 68.662 68.868 -0.050 0.000 0.864 182 T HN 0.436 nan 8.240 nan 0.000 0.427 183 R N 0.859 120.974 120.500 -0.640 0.000 2.090 183 R HA 0.061 4.403 4.340 0.003 0.000 0.228 183 R C 2.269 178.072 176.300 -0.829 0.000 1.110 183 R CA 0.926 56.219 56.100 -1.345 0.000 0.973 183 R CB -0.999 28.170 30.300 -1.884 0.000 0.869 183 R HN 0.188 nan 8.270 nan 0.000 0.440 184 V N 2.600 122.237 119.914 -0.462 0.000 2.332 184 V HA -0.232 3.890 4.120 0.003 0.000 0.248 184 V C 1.400 177.326 176.094 -0.280 0.000 1.055 184 V CA 2.300 64.437 62.300 -0.272 0.000 1.038 184 V CB -0.514 31.247 31.823 -0.103 0.000 0.651 184 V HN 0.350 nan 8.190 nan 0.000 0.450 185 D N -0.006 120.229 120.400 -0.275 0.000 2.224 185 D HA -0.036 4.606 4.640 0.003 0.000 0.205 185 D C 2.094 178.187 176.300 -0.345 0.000 0.965 185 D CA 1.298 55.152 54.000 -0.243 0.000 0.852 185 D CB -0.249 40.445 40.800 -0.177 0.000 0.947 185 D HN 0.458 nan 8.370 nan 0.000 0.494 186 A N 0.339 122.861 122.820 -0.497 0.000 1.872 186 A HA -0.089 4.233 4.320 0.003 0.000 0.214 186 A C 2.417 179.271 177.584 -1.216 0.000 1.187 186 A CA 0.853 52.421 52.037 -0.782 0.000 0.614 186 A CB -0.749 17.841 19.000 -0.683 0.000 0.826 186 A HN 0.121 nan 8.150 nan 0.000 0.442 187 V N 0.243 119.639 119.914 -0.864 0.000 2.332 187 V HA -0.275 3.847 4.120 0.003 0.000 0.248 187 V C 2.665 178.632 176.094 -0.212 0.000 1.055 187 V CA 2.341 64.382 62.300 -0.431 0.000 1.038 187 V CB -0.797 30.931 31.823 -0.158 0.000 0.651 187 V HN 0.636 nan 8.190 nan 0.000 0.450 188 R N -0.004 120.358 120.500 -0.229 0.000 2.091 188 R HA -0.158 4.184 4.340 0.003 0.000 0.238 188 R C 2.352 178.589 176.300 -0.105 0.000 1.136 188 R CA 1.777 57.802 56.100 -0.125 0.000 0.959 188 R CB -0.742 29.482 30.300 -0.126 0.000 0.856 188 R HN 0.561 nan 8.270 nan 0.000 0.437 189 G N 0.304 108.977 108.800 -0.212 0.000 2.446 189 G HA2 -0.244 3.718 3.960 0.003 0.000 0.217 189 G HA3 -0.244 3.718 3.960 0.003 0.000 0.217 189 G C 0.865 175.798 174.900 0.055 0.000 1.168 189 G CA 0.681 45.704 45.100 -0.129 0.000 0.771 189 G HN 0.379 nan 8.290 nan 0.000 0.551 190 W N 0.507 121.826 121.300 0.031 0.000 2.467 190 W HA 0.239 4.902 4.660 0.004 0.000 0.275 190 W C 2.356 178.899 176.519 0.040 0.000 1.239 190 W CA -0.045 57.323 57.345 0.039 0.000 1.266 190 W CB -0.955 28.537 29.460 0.055 0.000 1.112 190 W HN 0.171 nan 8.180 nan 0.000 0.576 191 L N -0.002 121.364 121.223 0.238 0.000 2.240 191 L HA -0.034 4.308 4.340 0.003 0.000 0.211 191 L C 2.434 179.370 176.870 0.110 0.000 1.106 191 L CA 1.163 56.094 54.840 0.151 0.000 0.793 191 L CB -0.742 41.378 42.059 0.101 0.000 0.927 191 L HN -0.147 nan 8.230 nan 0.000 0.446 192 A N -0.704 122.173 122.820 0.096 0.000 2.132 192 A HA 0.035 4.357 4.320 0.003 0.000 0.213 192 A C 1.280 178.911 177.584 0.079 0.000 1.154 192 A CA 0.543 52.620 52.037 0.068 0.000 0.753 192 A CB -0.600 18.424 19.000 0.040 0.000 0.826 192 A HN 0.407 nan 8.150 nan 0.000 0.469 193 T N 0.078 114.699 114.554 0.112 0.000 2.903 193 T HA 0.412 4.764 4.350 0.003 0.000 0.314 193 T C -0.200 174.551 174.700 0.085 0.000 1.078 193 T CA 0.173 62.334 62.100 0.103 0.000 1.114 193 T CB 0.863 69.810 68.868 0.132 0.000 0.987 193 T HN 0.486 nan 8.240 nan 0.000 0.548 194 D N -0.476 119.965 120.400 0.068 0.000 2.958 194 D HA 0.618 5.260 4.640 0.003 0.000 0.306 194 D C 0.849 177.183 176.300 0.056 0.000 1.226 194 D CA 0.046 54.084 54.000 0.062 0.000 1.032 194 D CB 0.537 41.367 40.800 0.050 0.000 1.400 194 D HN 1.119 nan 8.370 nan 0.000 0.587 195 G N -0.141 108.690 108.800 0.051 0.000 2.566 195 G HA2 -0.059 3.903 3.960 0.003 0.000 0.280 195 G HA3 -0.059 3.903 3.960 0.003 0.000 0.280 195 G C 1.020 175.959 174.900 0.066 0.000 1.225 195 G CA 1.729 46.857 45.100 0.047 0.000 0.966 195 G HN 1.400 nan 8.290 nan 0.000 0.560 196 A N -1.040 121.818 122.820 0.062 0.000 2.119 196 A HA 0.292 4.614 4.320 0.003 0.000 0.217 196 A C 1.757 179.402 177.584 0.101 0.000 1.153 196 A CA 2.214 54.308 52.037 0.095 0.000 0.692 196 A CB -0.157 18.882 19.000 0.065 0.000 0.799 196 A HN 0.846 nan 8.150 nan 0.000 0.458 197 Q N 0.021 119.846 119.800 0.042 0.000 2.526 197 Q HA 0.308 4.650 4.340 0.003 0.000 0.353 197 Q C 0.035 176.078 176.000 0.071 0.000 0.977 197 Q CA 0.035 55.828 55.803 -0.017 0.000 1.027 197 Q CB 0.018 28.729 28.738 -0.045 0.000 1.272 197 Q HN 0.488 nan 8.270 nan 0.000 0.420 198 R N 1.323 121.917 120.500 0.157 0.000 2.312 198 R HA 0.312 4.653 4.340 0.003 0.000 0.311 198 R C -0.914 175.490 176.300 0.175 0.000 1.004 198 R CA -0.354 55.830 56.100 0.140 0.000 0.902 198 R CB 0.699 31.064 30.300 0.109 0.000 1.073 198 R HN 0.244 nan 8.270 nan 0.000 0.457 199 N N 3.427 122.207 118.700 0.134 0.000 2.419 199 N HA 0.080 4.822 4.740 0.003 0.000 0.277 199 N C 0.394 175.960 175.510 0.094 0.000 1.006 199 N CA -0.320 52.805 53.050 0.125 0.000 0.923 199 N CB 1.983 40.535 38.487 0.108 0.000 1.140 199 N HN 0.496 nan 8.380 nan 0.000 0.488 200 R N 1.675 122.214 120.500 0.066 0.000 2.119 200 R HA 0.135 4.477 4.340 0.003 0.000 0.222 200 R C -0.098 176.234 176.300 0.053 0.000 1.088 200 R CA 0.987 57.114 56.100 0.045 0.000 0.984 200 R CB -0.165 30.140 30.300 0.008 0.000 0.884 200 R HN 0.549 nan 8.270 nan 0.000 0.447 201 L N 0.181 121.441 121.223 0.062 0.000 2.365 201 L HA 0.570 4.911 4.340 0.003 0.000 0.273 201 L C -1.574 175.348 176.870 0.088 0.000 1.000 201 L CA -0.828 54.051 54.840 0.064 0.000 0.819 201 L CB 2.460 44.554 42.059 0.059 0.000 1.284 201 L HN -0.167 nan 8.230 nan 0.000 0.418 202 V N 3.076 123.058 119.914 0.112 0.000 2.577 202 V HA 0.612 4.734 4.120 0.003 0.000 0.303 202 V C -0.130 176.071 176.094 0.177 0.000 1.042 202 V CA -0.290 62.119 62.300 0.182 0.000 0.872 202 V CB 2.013 33.992 31.823 0.260 0.000 0.998 202 V HN 0.894 nan 8.190 nan 0.000 0.423 203 T N 2.846 117.525 114.554 0.208 0.000 2.925 203 T HA 0.870 5.222 4.350 0.003 0.000 0.285 203 T C -0.994 173.946 174.700 0.401 0.000 1.021 203 T CA -0.716 61.533 62.100 0.249 0.000 1.042 203 T CB 1.928 70.891 68.868 0.158 0.000 1.037 203 T HN 0.546 nan 8.240 nan 0.000 0.481 204 L N 2.343 123.816 121.223 0.417 0.000 2.464 204 L HA 0.715 5.057 4.340 0.003 0.000 0.266 204 L C -1.876 175.181 176.870 0.313 0.000 0.965 204 L CA -0.935 54.073 54.840 0.280 0.000 0.833 204 L CB 2.053 44.146 42.059 0.055 0.000 1.296 204 L HN 0.897 nan 8.230 nan 0.000 0.405 205 Y N 4.316 124.642 120.300 0.044 0.000 2.462 205 Y HA 0.766 5.318 4.550 0.003 0.000 0.346 205 Y C -1.816 173.956 175.900 -0.214 0.000 0.976 205 Y CA -0.857 57.255 58.100 0.021 0.000 1.044 205 Y CB 1.747 40.256 38.460 0.082 0.000 1.230 205 Y HN 0.512 nan 8.280 nan 0.000 0.455 206 F N 5.066 124.703 119.950 -0.521 0.000 2.536 206 F HA 0.289 4.818 4.527 0.004 0.000 0.322 206 F C 0.703 176.182 175.800 -0.534 0.000 1.144 206 F CA -0.909 56.945 58.000 -0.242 0.000 0.924 206 F CB 1.832 40.786 39.000 -0.076 0.000 1.181 206 F HN 0.636 nan 8.300 nan 0.000 0.438 207 E N 1.654 121.871 120.200 0.029 0.000 2.385 207 E HA -0.092 4.260 4.350 0.003 0.000 0.194 207 E C 0.889 177.560 176.600 0.119 0.000 1.013 207 E CA 1.078 57.527 56.400 0.082 0.000 0.866 207 E CB -0.358 29.529 29.700 0.311 0.000 0.832 207 E HN 0.748 nan 8.360 nan 0.000 0.500 208 H N 1.218 120.356 119.070 0.115 0.000 2.387 208 H HA -0.068 4.490 4.556 0.003 0.000 0.299 208 H C 2.174 177.515 175.328 0.022 0.000 1.099 208 H CA 1.792 57.889 56.048 0.081 0.000 1.315 208 H CB -0.236 29.550 29.762 0.041 0.000 1.380 208 H HN 0.021 nan 8.280 nan 0.000 0.513 209 V N 0.326 120.286 119.914 0.076 0.000 2.323 209 V HA -0.199 3.923 4.120 0.003 0.000 0.244 209 V C 2.089 178.210 176.094 0.045 0.000 1.041 209 V CA 1.933 64.167 62.300 -0.110 0.000 1.025 209 V CB -0.448 31.223 31.823 -0.255 0.000 0.656 209 V HN 0.373 nan 8.190 nan 0.000 0.451 210 D N 0.323 120.802 120.400 0.132 0.000 2.106 210 D HA -0.214 4.428 4.640 0.003 0.000 0.191 210 D C 2.206 178.743 176.300 0.396 0.000 0.997 210 D CA 1.805 55.969 54.000 0.274 0.000 0.834 210 D CB -0.075 40.904 40.800 0.299 0.000 0.956 210 D HN 0.551 nan 8.370 nan 0.000 0.448 211 E N -0.361 120.026 120.200 0.312 0.000 2.110 211 E HA -0.137 4.215 4.350 0.003 0.000 0.193 211 E C 2.067 178.823 176.600 0.261 0.000 0.988 211 E CA 0.915 57.488 56.400 0.288 0.000 0.804 211 E CB -0.142 29.663 29.700 0.174 0.000 0.745 211 E HN 0.338 nan 8.360 nan 0.000 0.458 212 A N 1.077 124.041 122.820 0.240 0.000 2.014 212 A HA -0.027 4.295 4.320 0.003 0.000 0.218 212 A C 2.346 180.133 177.584 0.339 0.000 1.163 212 A CA 1.385 53.585 52.037 0.270 0.000 0.652 212 A CB -0.757 18.380 19.000 0.228 0.000 0.808 212 A HN 0.343 nan 8.150 nan 0.000 0.449 213 G N -1.265 107.776 108.800 0.401 0.000 2.402 213 G HA2 -0.207 3.755 3.960 0.003 0.000 0.216 213 G HA3 -0.207 3.755 3.960 0.003 0.000 0.216 213 G C 1.489 176.427 174.900 0.063 0.000 1.162 213 G CA 0.954 46.221 45.100 0.277 0.000 0.777 213 G HN 0.662 nan 8.290 nan 0.000 0.539 214 H N 0.853 120.015 119.070 0.154 0.000 2.352 214 H HA -0.068 4.490 4.556 0.003 0.000 0.299 214 H C 2.148 177.471 175.328 -0.009 0.000 1.097 214 H CA 1.605 57.696 56.048 0.071 0.000 1.311 214 H CB 0.013 29.819 29.762 0.073 0.000 1.377 214 H HN 0.251 nan 8.280 nan 0.000 0.504 215 D N -0.511 119.936 120.400 0.078 0.000 2.149 215 D HA -0.072 4.569 4.640 0.003 0.000 0.201 215 D C 1.375 177.412 176.300 -0.437 0.000 0.972 215 D CA 1.200 55.068 54.000 -0.220 0.000 0.835 215 D CB 0.084 40.719 40.800 -0.274 0.000 0.966 215 D HN 0.548 nan 8.370 nan 0.000 0.476 216 H N -1.896 117.224 119.070 0.084 0.000 3.650 216 H HA 0.402 4.960 4.556 0.003 0.000 0.260 216 H C 0.896 176.228 175.328 0.008 0.000 1.194 216 H CA 0.522 56.599 56.048 0.048 0.000 1.135 216 H CB 1.193 30.994 29.762 0.065 0.000 1.612 216 H HN 0.103 nan 8.280 nan 0.000 0.703 217 G N 2.303 111.143 108.800 0.066 0.000 2.699 217 G HA2 -0.182 3.780 3.960 0.003 0.000 0.686 217 G HA3 -0.182 3.780 3.960 0.003 0.000 0.686 217 G C -2.114 172.676 174.900 -0.184 0.000 1.301 217 G CA -0.330 44.736 45.100 -0.058 0.000 0.816 217 G HN -0.010 nan 8.290 nan 0.000 0.595 218 P HA 0.090 nan 4.420 nan 0.000 0.231 218 P C 0.901 177.912 177.300 -0.482 0.000 1.168 218 P CA 1.079 63.614 63.100 -0.943 0.000 0.779 218 P CB 0.298 31.562 31.700 -0.727 0.000 0.844 219 E N 0.161 120.237 120.200 -0.207 0.000 2.479 219 E HA 0.066 4.418 4.350 0.003 0.000 0.193 219 E C 0.866 177.458 176.600 -0.013 0.000 1.049 219 E CA 0.143 56.497 56.400 -0.078 0.000 0.870 219 E CB -0.217 29.444 29.700 -0.064 0.000 0.944 219 E HN 0.324 nan 8.360 nan 0.000 0.492 220 S N 1.002 116.709 115.700 0.013 0.000 2.632 220 S HA 0.253 4.725 4.470 0.003 0.000 0.267 220 S C 1.145 175.793 174.600 0.079 0.000 1.276 220 S CA -0.656 57.575 58.200 0.051 0.000 0.998 220 S CB 1.674 64.928 63.200 0.089 0.000 0.953 220 S HN 0.145 nan 8.310 nan 0.000 0.547 221 R N 0.559 121.074 120.500 0.026 0.000 2.193 221 R HA 0.056 4.398 4.340 0.003 0.000 0.213 221 R C 1.664 177.980 176.300 0.027 0.000 1.055 221 R CA 1.086 57.198 56.100 0.020 0.000 0.995 221 R CB -0.788 29.503 30.300 -0.014 0.000 0.893 221 R HN 0.641 nan 8.270 nan 0.000 0.459 222 Q N -0.172 119.640 119.800 0.019 0.000 2.083 222 Q HA -0.080 4.262 4.340 0.003 0.000 0.198 222 Q C 1.648 177.727 176.000 0.133 0.000 0.969 222 Q CA 1.689 57.524 55.803 0.053 0.000 0.838 222 Q CB -0.521 28.247 28.738 0.051 0.000 0.900 222 Q HN 0.486 nan 8.270 nan 0.000 0.436 223 Y N 0.772 121.107 120.300 0.058 0.000 2.165 223 Y HA -0.265 4.287 4.550 0.003 0.000 0.286 223 Y C 2.144 178.057 175.900 0.022 0.000 1.155 223 Y CA 1.495 59.627 58.100 0.054 0.000 1.164 223 Y CB -0.359 38.132 38.460 0.051 0.000 0.978 223 Y HN 0.124 nan 8.280 nan 0.000 0.513 224 A N -0.035 122.877 122.820 0.154 0.000 1.933 224 A HA -0.187 4.135 4.320 0.003 0.000 0.218 224 A C 1.856 179.418 177.584 -0.035 0.000 1.175 224 A CA 1.998 54.066 52.037 0.051 0.000 0.628 224 A CB -0.757 18.286 19.000 0.072 0.000 0.814 224 A HN 0.531 nan 8.150 nan 0.000 0.444 225 D N 0.109 120.495 120.400 -0.023 0.000 2.117 225 D HA -0.008 4.634 4.640 0.003 0.000 0.198 225 D C 2.260 178.513 176.300 -0.079 0.000 0.982 225 D CA 1.482 55.457 54.000 -0.042 0.000 0.828 225 D CB -0.520 40.269 40.800 -0.018 0.000 0.967 225 D HN 0.403 nan 8.370 nan 0.000 0.464 226 A N 0.668 123.438 122.820 -0.084 0.000 1.883 226 A HA -0.179 4.143 4.320 0.003 0.000 0.217 226 A C 2.509 179.963 177.584 -0.217 0.000 1.186 226 A CA 1.572 53.537 52.037 -0.120 0.000 0.624 226 A CB -0.863 18.075 19.000 -0.103 0.000 0.822 226 A HN 0.155 nan 8.150 nan 0.000 0.444 227 V N -0.110 119.644 119.914 -0.267 0.000 2.295 227 V HA -0.270 3.852 4.120 0.003 0.000 0.246 227 V C 2.635 178.607 176.094 -0.203 0.000 1.049 227 V CA 2.228 64.370 62.300 -0.262 0.000 1.024 227 V CB -0.835 30.843 31.823 -0.241 0.000 0.648 227 V HN 0.511 nan 8.190 nan 0.000 0.447 228 R N -0.149 120.259 120.500 -0.153 0.000 2.096 228 R HA -0.139 4.203 4.340 0.003 0.000 0.235 228 R C 2.408 178.608 176.300 -0.167 0.000 1.127 228 R CA 1.513 57.535 56.100 -0.130 0.000 0.968 228 R CB -0.527 29.718 30.300 -0.090 0.000 0.861 228 R HN 0.560 nan 8.270 nan 0.000 0.440 229 A N 0.415 123.121 122.820 -0.190 0.000 1.873 229 A HA -0.086 4.236 4.320 0.003 0.000 0.215 229 A C 2.302 179.678 177.584 -0.346 0.000 1.186 229 A CA 1.178 53.080 52.037 -0.224 0.000 0.616 229 A CB -0.417 18.460 19.000 -0.204 0.000 0.823 229 A HN 0.115 nan 8.150 nan 0.000 0.442 230 V N 0.559 120.202 119.914 -0.453 0.000 2.427 230 V HA -0.239 3.883 4.120 0.003 0.000 0.248 230 V C 2.262 178.024 176.094 -0.553 0.000 1.051 230 V CA 2.407 64.261 62.300 -0.743 0.000 1.048 230 V CB -0.809 30.517 31.823 -0.828 0.000 0.666 230 V HN 0.750 nan 8.190 nan 0.000 0.456 231 D N 0.408 120.605 120.400 -0.337 0.000 2.117 231 D HA -0.143 4.499 4.640 0.003 0.000 0.197 231 D C 2.131 178.322 176.300 -0.183 0.000 0.987 231 D CA 1.469 55.337 54.000 -0.220 0.000 0.829 231 D CB -0.126 40.584 40.800 -0.151 0.000 0.961 231 D HN 0.359 nan 8.370 nan 0.000 0.460 232 A N 0.455 123.166 122.820 -0.182 0.000 1.902 232 A HA 0.042 4.364 4.320 0.003 0.000 0.217 232 A C 2.378 179.875 177.584 -0.144 0.000 1.181 232 A CA 2.043 53.996 52.037 -0.141 0.000 0.623 232 A CB -1.104 17.819 19.000 -0.129 0.000 0.818 232 A HN 0.338 nan 8.150 nan 0.000 0.443 233 A N -0.062 122.637 122.820 -0.202 0.000 1.902 233 A HA -0.092 4.230 4.320 0.003 0.000 0.217 233 A C 2.096 179.623 177.584 -0.094 0.000 1.181 233 A CA 1.561 53.502 52.037 -0.160 0.000 0.623 233 A CB -0.593 18.275 19.000 -0.220 0.000 0.818 233 A HN 0.507 nan 8.150 nan 0.000 0.443 234 I N -0.451 120.042 120.570 -0.129 0.000 2.394 234 I HA -0.155 4.017 4.170 0.003 0.000 0.251 234 I C 2.617 178.714 176.117 -0.033 0.000 1.136 234 I CA 0.919 62.197 61.300 -0.036 0.000 1.425 234 I CB -0.513 37.459 38.000 -0.047 0.000 1.079 234 I HN 0.403 nan 8.210 nan 0.000 0.425 235 G N 0.752 109.517 108.800 -0.059 0.000 2.422 235 G HA2 -0.200 3.762 3.960 0.003 0.000 0.218 235 G HA3 -0.200 3.762 3.960 0.003 0.000 0.218 235 G C 1.826 176.699 174.900 -0.045 0.000 1.146 235 G CA 0.316 45.386 45.100 -0.049 0.000 0.769 235 G HN 0.291 nan 8.290 nan 0.000 0.547 236 R N -0.687 119.781 120.500 -0.053 0.000 2.075 236 R HA 0.041 4.382 4.340 0.003 0.000 0.232 236 R C 2.438 178.714 176.300 -0.041 0.000 1.126 236 R CA 0.949 57.020 56.100 -0.049 0.000 0.963 236 R CB -0.511 29.754 30.300 -0.058 0.000 0.858 236 R HN 0.364 nan 8.270 nan 0.000 0.435 237 L N 1.343 122.547 121.223 -0.032 0.000 2.012 237 L HA -0.170 4.172 4.340 0.003 0.000 0.210 237 L C 1.905 178.764 176.870 -0.017 0.000 1.073 237 L CA 1.750 56.576 54.840 -0.025 0.000 0.748 237 L CB -0.506 41.553 42.059 0.001 0.000 0.891 237 L HN 0.144 nan 8.230 nan 0.000 0.431 238 L N -0.777 120.439 121.223 -0.010 0.000 2.093 238 L HA -0.148 4.194 4.340 0.003 0.000 0.208 238 L C 2.640 179.503 176.870 -0.011 0.000 1.085 238 L CA 1.067 55.905 54.840 -0.004 0.000 0.755 238 L CB -0.890 41.171 42.059 0.004 0.000 0.904 238 L HN 0.411 nan 8.230 nan 0.000 0.435 239 A N 0.270 123.078 122.820 -0.020 0.000 1.898 239 A HA -0.085 4.237 4.320 0.003 0.000 0.216 239 A C 2.393 179.963 177.584 -0.023 0.000 1.181 239 A CA 1.602 53.625 52.037 -0.024 0.000 0.620 239 A CB -1.140 17.841 19.000 -0.033 0.000 0.819 239 A HN 0.420 nan 8.150 nan 0.000 0.442 240 G N -0.704 108.080 108.800 -0.027 0.000 2.408 240 G HA2 -0.179 3.783 3.960 0.003 0.000 0.217 240 G HA3 -0.179 3.783 3.960 0.003 0.000 0.217 240 G C 1.622 176.509 174.900 -0.021 0.000 1.150 240 G CA 1.101 46.184 45.100 -0.028 0.000 0.776 240 G HN 0.455 nan 8.290 nan 0.000 0.542 241 M N -0.051 119.539 119.600 -0.016 0.000 2.149 241 M HA -0.109 4.373 4.480 0.003 0.000 0.261 241 M C 2.641 178.937 176.300 -0.007 0.000 1.064 241 M CA 1.489 56.784 55.300 -0.008 0.000 1.102 241 M CB -0.264 32.335 32.600 -0.003 0.000 1.369 241 M HN 0.291 nan 8.290 nan 0.000 0.408 242 Q N 0.701 120.496 119.800 -0.009 0.000 2.046 242 Q HA -0.174 4.168 4.340 0.003 0.000 0.200 242 Q C 2.056 178.051 176.000 -0.009 0.000 0.975 242 Q CA 1.530 57.328 55.803 -0.008 0.000 0.836 242 Q CB -0.037 28.697 28.738 -0.008 0.000 0.896 242 Q HN 0.477 nan 8.270 nan 0.000 0.428 243 R N 0.296 120.789 120.500 -0.012 0.000 2.127 243 R HA -0.141 4.201 4.340 0.003 0.000 0.238 243 R C 1.626 177.921 176.300 -0.008 0.000 1.134 243 R CA 1.484 57.577 56.100 -0.012 0.000 0.975 243 R CB -0.074 30.216 30.300 -0.016 0.000 0.865 243 R HN 0.341 nan 8.270 nan 0.000 0.447 244 D N -1.048 119.348 120.400 -0.007 0.000 2.277 244 D HA 0.011 4.653 4.640 0.003 0.000 0.208 244 D C 1.101 177.403 176.300 0.003 0.000 0.962 244 D CA 1.156 55.155 54.000 -0.002 0.000 0.865 244 D CB 0.121 40.920 40.800 -0.001 0.000 0.939 244 D HN 0.425 nan 8.370 nan 0.000 0.510 245 G N 0.605 109.405 108.800 0.000 0.000 2.160 245 G HA2 -0.307 3.655 3.960 0.003 0.000 0.244 245 G HA3 -0.307 3.655 3.960 0.003 0.000 0.244 245 G C 1.088 175.991 174.900 0.004 0.000 1.022 245 G CA 1.140 46.241 45.100 0.001 0.000 0.741 245 G HN 0.423 nan 8.290 nan 0.000 0.508 246 T N -2.837 111.720 114.554 0.005 0.000 3.037 246 T HA 0.199 4.551 4.350 0.003 0.000 0.252 246 T C 2.006 176.703 174.700 -0.005 0.000 1.073 246 T CA 1.046 63.151 62.100 0.009 0.000 1.091 246 T CB 0.185 69.066 68.868 0.022 0.000 0.935 246 T HN 0.382 nan 8.240 nan 0.000 0.488 247 R N 2.536 123.029 120.500 -0.010 0.000 2.091 247 R HA 0.130 4.472 4.340 0.003 0.000 0.238 247 R C 2.428 178.701 176.300 -0.045 0.000 1.136 247 R CA 1.884 57.973 56.100 -0.020 0.000 0.959 247 R CB -1.161 29.131 30.300 -0.013 0.000 0.856 247 R HN 0.443 nan 8.270 nan 0.000 0.437 248 A N 0.486 123.277 122.820 -0.048 0.000 2.015 248 A HA -0.105 4.217 4.320 0.003 0.000 0.219 248 A C 1.672 179.163 177.584 -0.153 0.000 1.163 248 A CA 1.489 53.480 52.037 -0.076 0.000 0.646 248 A CB -0.312 18.660 19.000 -0.046 0.000 0.806 248 A HN 0.499 nan 8.150 nan 0.000 0.448 249 R N -1.039 119.377 120.500 -0.141 0.000 2.468 249 R HA 0.244 4.586 4.340 0.003 0.000 0.280 249 R C -0.617 175.571 176.300 -0.186 0.000 0.963 249 R CA 0.292 56.242 56.100 -0.250 0.000 1.083 249 R CB -1.252 29.040 30.300 -0.014 0.000 1.200 249 R HN 0.061 nan 8.270 nan 0.000 0.541 250 T N 1.184 115.668 114.554 -0.116 0.000 2.770 250 T HA 0.366 4.718 4.350 0.003 0.000 0.283 250 T C -0.687 173.981 174.700 -0.054 0.000 0.988 250 T CA -0.763 61.312 62.100 -0.042 0.000 0.957 250 T CB 1.046 69.914 68.868 0.001 0.000 0.930 250 T HN 0.133 nan 8.240 nan 0.000 0.443 251 N N 2.753 121.441 118.700 -0.020 0.000 2.525 251 N HA 0.405 5.147 4.740 0.003 0.000 0.271 251 N C -0.526 174.985 175.510 0.002 0.000 1.194 251 N CA -0.077 52.967 53.050 -0.011 0.000 0.964 251 N CB 0.989 39.487 38.487 0.019 0.000 1.126 251 N HN 0.541 nan 8.380 nan 0.000 0.452 252 I N 2.170 122.734 120.570 -0.010 0.000 2.533 252 I HA 0.422 4.594 4.170 0.003 0.000 0.290 252 I C -0.441 175.659 176.117 -0.029 0.000 1.056 252 I CA -0.563 60.735 61.300 -0.003 0.000 1.057 252 I CB 1.826 39.822 38.000 -0.006 0.000 1.240 252 I HN 0.209 nan 8.210 nan 0.000 0.423 253 I N 6.296 126.861 120.570 -0.008 0.000 2.447 253 I HA 0.412 4.584 4.170 0.003 0.000 0.287 253 I C -0.802 175.316 176.117 0.003 0.000 1.023 253 I CA -0.775 60.494 61.300 -0.051 0.000 1.083 253 I CB 2.206 40.225 38.000 0.032 0.000 1.245 253 I HN 0.164 nan 8.210 nan 0.000 0.434 254 V N 7.140 127.014 119.914 -0.067 0.000 2.417 254 V HA 0.650 4.772 4.120 0.003 0.000 0.291 254 V C -0.069 176.053 176.094 0.045 0.000 1.024 254 V CA -0.588 61.732 62.300 0.033 0.000 0.861 254 V CB 1.798 33.630 31.823 0.015 0.000 0.985 254 V HN 0.542 nan 8.190 nan 0.000 0.436 255 V N 1.751 121.766 119.914 0.168 0.000 3.167 255 V HA 1.030 5.152 4.120 0.003 0.000 0.310 255 V C -0.384 175.795 176.094 0.140 0.000 1.207 255 V CA -0.607 61.818 62.300 0.208 0.000 1.059 255 V CB 2.200 34.215 31.823 0.320 0.000 1.079 255 V HN 0.948 nan 8.190 nan 0.000 0.446 256 S N -0.652 115.094 115.700 0.076 0.000 2.595 256 S HA 0.557 5.029 4.470 0.003 0.000 0.281 256 S C 0.015 174.522 174.600 -0.155 0.000 1.117 256 S CA 0.067 58.231 58.200 -0.061 0.000 0.873 256 S CB 1.850 65.004 63.200 -0.076 0.000 1.108 256 S HN 1.070 nan 8.310 nan 0.000 0.477 257 D N -0.141 120.032 120.400 -0.378 0.000 2.289 257 D HA 0.107 4.749 4.640 0.003 0.000 0.207 257 D C 0.544 176.730 176.300 -0.189 0.000 0.966 257 D CA 1.354 55.128 54.000 -0.376 0.000 0.868 257 D CB -0.546 39.906 40.800 -0.580 0.000 0.943 257 D HN 0.902 nan 8.370 nan 0.000 0.514 258 H N -4.051 114.959 119.070 -0.101 0.000 2.849 258 H HA 0.583 5.141 4.556 0.003 0.000 0.271 258 H C 0.197 175.486 175.328 -0.065 0.000 1.461 258 H CA -0.848 55.154 56.048 -0.077 0.000 1.146 258 H CB 0.763 30.456 29.762 -0.114 0.000 1.834 258 H HN -0.021 nan 8.280 nan 0.000 0.555 259 G N -0.557 108.360 108.800 0.194 0.000 3.022 259 G HA2 0.533 4.495 3.960 0.003 0.000 0.157 259 G HA3 0.533 4.495 3.960 0.003 0.000 0.157 259 G C -0.841 174.207 174.900 0.248 0.000 1.468 259 G CA -0.330 44.872 45.100 0.170 0.000 1.058 259 G HN 0.768 nan 8.290 nan 0.000 0.581 260 M N -0.758 118.917 119.600 0.126 0.000 2.333 260 M HA 0.634 5.116 4.480 0.003 0.000 0.286 260 M C -1.010 175.299 176.300 0.014 0.000 1.113 260 M CA -0.360 54.982 55.300 0.069 0.000 0.959 260 M CB 1.800 34.385 32.600 -0.025 0.000 1.776 260 M HN 0.866 nan 8.290 nan 0.000 0.492 261 A N 2.950 125.815 122.820 0.075 0.000 2.306 261 A HA 0.713 5.034 4.320 0.003 0.000 0.330 261 A C -0.651 176.908 177.584 -0.042 0.000 1.146 261 A CA -0.602 51.446 52.037 0.018 0.000 0.827 261 A CB 0.835 19.863 19.000 0.048 0.000 1.178 261 A HN 0.820 nan 8.150 nan 0.000 0.490 262 E N 0.910 121.046 120.200 -0.107 0.000 2.316 262 E HA 0.386 4.738 4.350 0.003 0.000 0.275 262 E C -1.246 175.242 176.600 -0.187 0.000 1.029 262 E CA -0.150 56.167 56.400 -0.139 0.000 0.871 262 E CB 0.677 30.287 29.700 -0.150 0.000 1.022 262 E HN 0.318 nan 8.360 nan 0.000 0.418 263 V N 4.807 124.614 119.914 -0.178 0.000 2.275 263 V HA 0.318 4.439 4.120 0.003 0.000 0.272 263 V C 0.359 176.275 176.094 -0.296 0.000 1.028 263 V CA -0.547 61.602 62.300 -0.253 0.000 0.810 263 V CB 0.578 32.342 31.823 -0.099 0.000 1.043 263 V HN 0.811 nan 8.190 nan 0.000 0.453 264 A N 7.498 130.007 122.820 -0.519 0.000 2.429 264 A HA 0.574 4.896 4.320 0.003 0.000 0.242 264 A C -2.247 175.245 177.584 -0.153 0.000 1.088 264 A CA -0.939 50.893 52.037 -0.342 0.000 0.784 264 A CB -0.244 18.513 19.000 -0.406 0.000 1.038 264 A HN 0.603 nan 8.150 nan 0.000 0.501 265 P HA 0.204 nan 4.420 nan 0.000 0.266 265 P C 0.995 178.299 177.300 0.007 0.000 1.193 265 P CA 1.885 64.974 63.100 -0.019 0.000 0.770 265 P CB 0.390 32.084 31.700 -0.012 0.000 0.836 266 G N 1.560 110.330 108.800 -0.049 0.000 2.189 266 G HA2 -0.290 3.672 3.960 0.003 0.000 0.267 266 G HA3 -0.290 3.672 3.960 0.003 0.000 0.267 266 G C 0.302 174.979 174.900 -0.372 0.000 0.975 266 G CA 0.158 45.183 45.100 -0.125 0.000 0.644 266 G HN 0.659 nan 8.290 nan 0.000 0.537 267 H N 0.584 119.326 119.070 -0.548 0.000 2.655 267 H HA 0.638 5.196 4.556 0.003 0.000 0.309 267 H C 0.801 175.845 175.328 -0.473 0.000 1.180 267 H CA 0.802 56.204 56.048 -1.076 0.000 1.087 267 H CB 0.213 29.311 29.762 -1.107 0.000 1.494 267 H HN 0.742 nan 8.280 nan 0.000 0.515 268 A N 1.314 124.076 122.820 -0.096 0.000 2.381 268 A HA 0.611 4.933 4.320 0.003 0.000 0.299 268 A C -0.309 177.362 177.584 0.146 0.000 1.049 268 A CA -0.782 51.298 52.037 0.072 0.000 0.715 268 A CB 0.881 19.892 19.000 0.018 0.000 1.222 268 A HN 0.435 nan 8.150 nan 0.000 0.428 269 I N -0.615 120.061 120.570 0.176 0.000 3.170 269 I HA 0.830 5.002 4.170 0.003 0.000 0.312 269 I C 0.031 176.180 176.117 0.053 0.000 1.085 269 I CA -0.838 60.543 61.300 0.136 0.000 0.999 269 I CB 2.036 40.134 38.000 0.164 0.000 1.233 269 I HN 0.465 nan 8.210 nan 0.000 0.467 270 S N 0.870 116.589 115.700 0.032 0.000 2.586 270 S HA 0.284 4.756 4.470 0.003 0.000 0.274 270 S C 1.063 175.653 174.600 -0.018 0.000 1.281 270 S CA -0.332 57.874 58.200 0.011 0.000 1.035 270 S CB 1.500 64.716 63.200 0.028 0.000 0.962 270 S HN 0.773 nan 8.310 nan 0.000 0.512 271 V N 2.507 122.405 119.914 -0.028 0.000 2.720 271 V HA -0.035 4.086 4.120 0.003 0.000 0.256 271 V C 1.517 177.681 176.094 0.117 0.000 1.082 271 V CA 1.815 64.114 62.300 -0.003 0.000 1.101 271 V CB -0.984 30.783 31.823 -0.093 0.000 0.693 271 V HN 0.903 nan 8.190 nan 0.000 0.479 272 E N 0.153 120.400 120.200 0.078 0.000 2.478 272 E HA -0.062 4.290 4.350 0.003 0.000 0.194 272 E C 1.378 177.974 176.600 -0.006 0.000 1.045 272 E CA 0.644 57.078 56.400 0.057 0.000 0.868 272 E CB -0.106 29.629 29.700 0.059 0.000 0.885 272 E HN 0.625 nan 8.360 nan 0.000 0.505 273 D N 0.879 121.267 120.400 -0.019 0.000 2.219 273 D HA -0.077 4.565 4.640 0.003 0.000 0.205 273 D C 1.824 178.063 176.300 -0.102 0.000 0.970 273 D CA 0.779 54.755 54.000 -0.040 0.000 0.851 273 D CB 0.141 40.933 40.800 -0.013 0.000 0.943 273 D HN 0.269 nan 8.370 nan 0.000 0.488 274 I N 0.243 120.710 120.570 -0.172 0.000 2.339 274 I HA 0.008 4.179 4.170 0.003 0.000 0.245 274 I C 0.880 176.780 176.117 -0.361 0.000 1.096 274 I CA 0.420 61.531 61.300 -0.316 0.000 1.408 274 I CB 0.152 37.935 38.000 -0.362 0.000 1.092 274 I HN -0.135 nan 8.210 nan 0.000 0.423 275 A N 1.262 123.847 122.820 -0.392 0.000 2.437 275 A HA 0.587 4.909 4.320 0.003 0.000 0.293 275 A C -2.696 174.776 177.584 -0.187 0.000 1.038 275 A CA -1.198 50.581 52.037 -0.431 0.000 0.708 275 A CB 0.707 19.165 19.000 -0.904 0.000 1.251 275 A HN -0.151 nan 8.150 nan 0.000 0.409 276 P HA 0.228 nan 4.420 nan 0.000 0.271 276 P C -2.076 175.217 177.300 -0.012 0.000 1.218 276 P CA -1.071 62.005 63.100 -0.041 0.000 0.780 276 P CB 0.407 32.084 31.700 -0.039 0.000 0.901 277 P HA -0.196 nan 4.420 nan 0.000 0.217 277 P C 1.378 178.690 177.300 0.021 0.000 1.148 277 P CA 1.734 64.858 63.100 0.040 0.000 0.834 277 P CB -0.155 31.563 31.700 0.030 0.000 0.783 278 Q N -1.426 118.376 119.800 0.004 0.000 2.291 278 Q HA -0.025 4.317 4.340 0.003 0.000 0.205 278 Q C 2.011 178.008 176.000 -0.004 0.000 0.970 278 Q CA 1.009 56.811 55.803 -0.001 0.000 0.876 278 Q CB -0.341 28.393 28.738 -0.007 0.000 0.935 278 Q HN 0.330 nan 8.270 nan 0.000 0.455 279 I N -1.541 119.020 120.570 -0.014 0.000 3.616 279 I HA 0.267 4.439 4.170 0.003 0.000 0.296 279 I C 0.163 176.273 176.117 -0.012 0.000 1.226 279 I CA -0.092 61.193 61.300 -0.025 0.000 1.394 279 I CB 0.799 38.764 38.000 -0.058 0.000 1.171 279 I HN -0.007 nan 8.210 nan 0.000 0.442 280 A N 0.141 122.966 122.820 0.009 0.000 2.577 280 A HA 0.574 4.896 4.320 0.003 0.000 0.297 280 A C -0.629 177.082 177.584 0.211 0.000 1.060 280 A CA -0.386 51.701 52.037 0.082 0.000 0.697 280 A CB 0.786 19.791 19.000 0.008 0.000 1.281 280 A HN -0.029 nan 8.150 nan 0.000 0.402 281 T N 2.172 116.860 114.554 0.223 0.000 2.743 281 T HA 0.544 4.895 4.350 0.003 0.000 0.293 281 T C 0.499 175.326 174.700 0.211 0.000 0.945 281 T CA 0.466 62.675 62.100 0.182 0.000 1.030 281 T CB 1.201 70.122 68.868 0.088 0.000 0.912 281 T HN 1.410 nan 8.240 nan 0.000 0.483 282 A N 4.659 127.569 122.820 0.151 0.000 2.457 282 A HA 0.305 4.627 4.320 0.003 0.000 0.298 282 A C 1.423 178.986 177.584 -0.035 0.000 1.288 282 A CA -0.502 51.442 52.037 -0.154 0.000 0.956 282 A CB -0.511 18.469 19.000 -0.032 0.000 1.135 282 A HN 0.817 nan 8.150 nan 0.000 0.535 283 I N 1.870 122.348 120.570 -0.153 0.000 2.252 283 I HA -0.064 4.108 4.170 0.003 0.000 0.245 283 I C 1.598 177.662 176.117 -0.089 0.000 1.102 283 I CA 1.987 63.233 61.300 -0.090 0.000 1.385 283 I CB -1.373 36.566 38.000 -0.102 0.000 1.064 283 I HN 0.706 nan 8.210 nan 0.000 0.414 284 T N -1.010 113.393 114.554 -0.252 0.000 2.901 284 T HA 0.574 4.926 4.350 0.003 0.000 0.293 284 T C -0.595 173.775 174.700 -0.549 0.000 1.084 284 T CA -0.851 61.039 62.100 -0.350 0.000 1.008 284 T CB 3.089 71.546 68.868 -0.686 0.000 1.170 284 T HN 0.168 nan 8.240 nan 0.000 0.509 285 D N -1.212 118.796 120.400 -0.654 0.000 2.801 285 D HA 0.768 5.410 4.640 0.003 0.000 0.277 285 D C 1.035 177.117 176.300 -0.363 0.000 1.125 285 D CA 0.152 53.729 54.000 -0.703 0.000 1.102 285 D CB 0.767 40.816 40.800 -1.251 0.000 1.400 285 D HN 1.307 nan 8.370 nan 0.000 0.601 286 G N 0.050 108.672 108.800 -0.296 0.000 3.076 286 G HA2 -0.270 3.692 3.960 0.003 0.000 0.256 286 G HA3 -0.270 3.692 3.960 0.003 0.000 0.256 286 G C 0.480 175.287 174.900 -0.155 0.000 1.589 286 G CA 0.813 45.794 45.100 -0.199 0.000 1.044 286 G HN 0.627 nan 8.290 nan 0.000 0.563 287 Q N -0.919 118.766 119.800 -0.193 0.000 2.313 287 Q HA 0.523 4.865 4.340 0.003 0.000 0.263 287 Q C 0.485 176.430 176.000 -0.091 0.000 0.820 287 Q CA 0.722 56.426 55.803 -0.165 0.000 0.974 287 Q CB 1.671 30.109 28.738 -0.499 0.000 1.156 287 Q HN 0.660 nan 8.270 nan 0.000 0.517 288 V N 3.001 122.855 119.914 -0.099 0.000 2.275 288 V HA 0.342 4.463 4.120 0.003 0.000 0.272 288 V C -0.883 175.224 176.094 0.022 0.000 1.028 288 V CA -0.545 61.750 62.300 -0.008 0.000 0.810 288 V CB 0.909 32.671 31.823 -0.102 0.000 1.043 288 V HN 0.194 nan 8.190 nan 0.000 0.453 289 I N 3.887 124.439 120.570 -0.029 0.000 2.336 289 I HA 0.577 4.749 4.170 0.003 0.000 0.292 289 I C 0.793 176.792 176.117 -0.197 0.000 0.991 289 I CA -0.111 61.059 61.300 -0.217 0.000 1.227 289 I CB 1.403 39.242 38.000 -0.268 0.000 1.366 289 I HN 0.581 nan 8.210 nan 0.000 0.466 290 G N 5.911 114.512 108.800 -0.332 0.000 2.417 290 G HA2 0.651 4.613 3.960 0.003 0.000 0.320 290 G HA3 0.651 4.613 3.960 0.003 0.000 0.320 290 G C -1.305 173.372 174.900 -0.371 0.000 1.204 290 G CA -0.239 44.754 45.100 -0.179 0.000 0.923 290 G HN 0.293 nan 8.290 nan 0.000 0.466 291 F N 0.376 120.350 119.950 0.041 0.000 2.480 291 F HA 0.536 5.065 4.527 0.003 0.000 0.329 291 F C 0.252 176.076 175.800 0.040 0.000 1.091 291 F CA -0.915 57.103 58.000 0.030 0.000 0.972 291 F CB 2.832 41.845 39.000 0.022 0.000 1.150 291 F HN 0.307 nan 8.300 nan 0.000 0.467 292 E N 4.357 124.691 120.200 0.224 0.000 2.141 292 E HA 0.414 4.766 4.350 0.003 0.000 0.259 292 E C -2.709 173.971 176.600 0.134 0.000 0.883 292 E CA -2.989 53.498 56.400 0.145 0.000 0.744 292 E CB 1.125 30.881 29.700 0.093 0.000 1.150 292 E HN 0.056 nan 8.360 nan 0.000 0.420 293 P HA -0.044 nan 4.420 nan 0.000 0.265 293 P C -0.473 176.857 177.300 0.051 0.000 1.193 293 P CA -0.346 62.793 63.100 0.065 0.000 0.765 293 P CB 0.394 32.121 31.700 0.044 0.000 0.823 294 L N 6.571 127.817 121.223 0.038 0.000 2.506 294 L HA 0.109 4.451 4.340 0.003 0.000 0.281 294 L C -1.770 175.114 176.870 0.023 0.000 1.228 294 L CA -0.968 53.889 54.840 0.029 0.000 0.850 294 L CB -1.181 40.890 42.059 0.020 0.000 1.110 294 L HN 0.338 nan 8.230 nan 0.000 0.496 295 P HA 0.082 nan 4.420 nan 0.000 0.258 295 P C 0.715 178.023 177.300 0.013 0.000 1.172 295 P CA 1.192 64.302 63.100 0.018 0.000 0.762 295 P CB 0.270 31.980 31.700 0.015 0.000 0.764 296 G N 3.080 111.888 108.800 0.013 0.000 2.179 296 G HA2 -0.257 3.705 3.960 0.003 0.000 0.260 296 G HA3 -0.257 3.705 3.960 0.003 0.000 0.260 296 G C 0.748 175.652 174.900 0.007 0.000 0.977 296 G CA -0.236 44.870 45.100 0.010 0.000 0.641 296 G HN 0.535 nan 8.290 nan 0.000 0.533 297 Q N -0.530 119.275 119.800 0.009 0.000 2.247 297 Q HA 0.197 4.538 4.340 0.003 0.000 0.204 297 Q C 1.997 177.999 176.000 0.004 0.000 0.872 297 Q CA 0.747 56.552 55.803 0.003 0.000 0.951 297 Q CB 0.543 29.281 28.738 0.001 0.000 1.099 297 Q HN 0.672 nan 8.270 nan 0.000 0.501 298 Q N 1.564 121.371 119.800 0.012 0.000 2.112 298 Q HA -0.172 4.170 4.340 0.003 0.000 0.206 298 Q C 1.833 177.839 176.000 0.009 0.000 0.987 298 Q CA 2.237 58.050 55.803 0.018 0.000 0.858 298 Q CB -0.141 28.611 28.738 0.024 0.000 0.905 298 Q HN 0.403 nan 8.270 nan 0.000 0.420 299 A N -0.295 122.528 122.820 0.005 0.000 1.929 299 A HA 0.082 4.404 4.320 0.003 0.000 0.216 299 A C 2.208 179.787 177.584 -0.008 0.000 1.176 299 A CA 1.483 53.520 52.037 0.001 0.000 0.628 299 A CB -0.913 18.088 19.000 0.001 0.000 0.816 299 A HN 0.510 nan 8.150 nan 0.000 0.444 300 A N -0.093 122.719 122.820 -0.013 0.000 1.897 300 A HA 0.275 4.597 4.320 0.003 0.000 0.215 300 A C 2.490 180.050 177.584 -0.040 0.000 1.181 300 A CA 1.722 53.745 52.037 -0.024 0.000 0.620 300 A CB -1.000 17.986 19.000 -0.024 0.000 0.821 300 A HN 0.961 nan 8.150 nan 0.000 0.443 301 A N 0.058 122.852 122.820 -0.043 0.000 1.883 301 A HA -0.230 4.092 4.320 0.003 0.000 0.217 301 A C 1.927 179.474 177.584 -0.062 0.000 1.186 301 A CA 1.845 53.837 52.037 -0.075 0.000 0.624 301 A CB -0.619 18.348 19.000 -0.054 0.000 0.822 301 A HN 0.629 nan 8.150 nan 0.000 0.444 302 E N -0.561 119.626 120.200 -0.022 0.000 2.106 302 E HA -0.070 4.282 4.350 0.003 0.000 0.192 302 E C 2.249 178.845 176.600 -0.006 0.000 0.984 302 E CA 0.835 57.233 56.400 -0.003 0.000 0.806 302 E CB -0.251 29.456 29.700 0.012 0.000 0.750 302 E HN 0.630 nan 8.360 nan 0.000 0.458 303 A N 0.463 123.276 122.820 -0.013 0.000 2.015 303 A HA -0.098 4.224 4.320 0.003 0.000 0.219 303 A C 2.209 179.791 177.584 -0.003 0.000 1.163 303 A CA 1.312 53.343 52.037 -0.010 0.000 0.646 303 A CB -0.027 18.964 19.000 -0.014 0.000 0.806 303 A HN 0.072 nan 8.150 nan 0.000 0.448 304 S N -1.479 114.209 115.700 -0.021 0.000 2.483 304 S HA 0.095 4.567 4.470 0.003 0.000 0.221 304 S C 1.649 176.230 174.600 -0.031 0.000 1.030 304 S CA 0.832 59.016 58.200 -0.028 0.000 0.925 304 S CB 0.258 63.410 63.200 -0.080 0.000 0.795 304 S HN 0.299 nan 8.310 nan 0.000 0.511 305 V N 1.592 121.483 119.914 -0.038 0.000 2.521 305 V HA 0.224 4.346 4.120 0.003 0.000 0.239 305 V C 0.765 176.954 176.094 0.157 0.000 1.053 305 V CA 0.435 62.715 62.300 -0.032 0.000 1.073 305 V CB -0.376 31.365 31.823 -0.136 0.000 0.746 305 V HN 0.323 nan 8.190 nan 0.000 0.476 306 L N 1.008 122.275 121.223 0.075 0.000 2.559 306 L HA 0.393 4.735 4.340 0.003 0.000 0.282 306 L C 1.011 177.838 176.870 -0.072 0.000 1.232 306 L CA 1.375 56.216 54.840 0.001 0.000 0.885 306 L CB -0.731 41.319 42.059 -0.017 0.000 1.131 306 L HN 0.536 nan 8.230 nan 0.000 0.498 307 G N 2.142 110.786 108.800 -0.260 0.000 2.451 307 G HA2 0.008 3.969 3.960 0.003 0.000 0.208 307 G HA3 0.008 3.969 3.960 0.003 0.000 0.208 307 G C -0.706 173.897 174.900 -0.495 0.000 1.248 307 G CA -0.307 44.559 45.100 -0.390 0.000 0.989 307 G HN 1.000 nan 8.290 nan 0.000 0.559 308 A N 0.235 122.721 122.820 -0.558 0.000 2.301 308 A HA 0.829 5.151 4.320 0.003 0.000 0.312 308 A C 0.075 177.130 177.584 -0.881 0.000 1.182 308 A CA -0.001 51.715 52.037 -0.534 0.000 0.826 308 A CB 0.542 19.343 19.000 -0.331 0.000 1.134 308 A HN 0.969 nan 8.150 nan 0.000 0.501 309 H N 0.251 118.977 119.070 -0.574 0.000 3.048 309 H HA 0.238 4.796 4.556 0.003 0.000 0.296 309 H C -0.046 174.872 175.328 -0.683 0.000 1.508 309 H CA -0.621 54.995 56.048 -0.720 0.000 1.250 309 H CB 0.948 29.936 29.762 -1.289 0.000 1.896 309 H HN 0.693 nan 8.280 nan 0.000 0.604 310 D N 0.091 120.179 120.400 -0.520 0.000 2.092 310 D HA -0.121 4.521 4.640 0.003 0.000 0.193 310 D C 0.690 176.370 176.300 -1.034 0.000 0.994 310 D CA 1.665 55.235 54.000 -0.717 0.000 0.828 310 D CB 0.235 40.607 40.800 -0.713 0.000 0.963 310 D HN 0.461 nan 8.370 nan 0.000 0.450 311 H N -1.932 116.791 119.070 -0.577 0.000 2.885 311 H HA 0.155 4.713 4.556 0.003 0.000 0.254 311 H C -0.477 174.291 175.328 -0.933 0.000 1.185 311 H CA -0.217 55.320 56.048 -0.851 0.000 1.029 311 H CB 0.296 29.208 29.762 -1.416 0.000 1.743 311 H HN 0.229 nan 8.280 nan 0.000 0.632 312 Y N -1.520 118.303 120.300 -0.796 0.000 2.689 312 Y HA 0.644 5.196 4.550 0.003 0.000 0.333 312 Y C -1.377 174.406 175.900 -0.195 0.000 1.190 312 Y CA -1.412 56.403 58.100 -0.475 0.000 1.063 312 Y CB 1.258 39.635 38.460 -0.139 0.000 1.294 312 Y HN -0.254 nan 8.280 nan 0.000 0.466 313 D N 0.055 120.510 120.400 0.093 0.000 2.581 313 D HA 0.628 5.269 4.640 0.003 0.000 0.232 313 D C -1.421 174.803 176.300 -0.126 0.000 1.143 313 D CA -0.093 53.809 54.000 -0.164 0.000 0.881 313 D CB 2.639 43.240 40.800 -0.332 0.000 1.500 313 D HN 0.756 nan 8.370 nan 0.000 0.458 314 c N 0.660 118.998 118.600 -0.437 0.000 2.994 314 c HA 0.664 5.236 4.570 0.003 0.000 0.304 314 c C -1.005 172.859 174.090 -0.377 0.000 1.273 314 c CA -0.783 55.483 56.329 -0.104 0.000 1.537 314 c CB 2.186 44.782 42.510 0.143 0.000 2.001 314 c HN 0.553 nan 8.230 nan 0.000 0.471 315 W N 0.700 122.129 121.300 0.215 0.000 3.217 315 W HA 0.438 5.100 4.660 0.003 0.000 0.323 315 W C -0.544 176.068 176.519 0.154 0.000 1.216 315 W CA -0.683 56.760 57.345 0.163 0.000 1.194 315 W CB 1.286 30.846 29.460 0.168 0.000 1.397 315 W HN 0.588 nan 8.180 nan 0.000 0.537 316 R N 1.721 122.420 120.500 0.332 0.000 2.590 316 R HA 0.008 4.350 4.340 0.003 0.000 0.274 316 R C 1.649 178.100 176.300 0.250 0.000 1.061 316 R CA 0.100 56.340 56.100 0.233 0.000 1.081 316 R CB 1.021 31.418 30.300 0.160 0.000 0.984 316 R HN 0.495 nan 8.270 nan 0.000 0.448 317 K N 1.499 122.017 120.400 0.196 0.000 2.152 317 K HA -0.143 4.178 4.320 0.003 0.000 0.206 317 K C 1.396 178.062 176.600 0.111 0.000 1.048 317 K CA 1.819 58.208 56.287 0.170 0.000 0.933 317 K CB -0.047 32.522 32.500 0.114 0.000 0.721 317 K HN 0.553 nan 8.250 nan 0.000 0.447 318 A N 1.273 124.146 122.820 0.089 0.000 2.238 318 A HA -0.008 4.314 4.320 0.003 0.000 0.208 318 A C 0.852 178.470 177.584 0.057 0.000 1.177 318 A CA 0.427 52.497 52.037 0.054 0.000 0.804 318 A CB -0.147 18.878 19.000 0.042 0.000 0.823 318 A HN 0.509 nan 8.150 nan 0.000 0.482 319 E N -0.656 119.603 120.200 0.098 0.000 2.583 319 E HA 0.257 4.609 4.350 0.003 0.000 0.213 319 E C -0.524 176.094 176.600 0.030 0.000 0.989 319 E CA -0.414 56.046 56.400 0.101 0.000 0.991 319 E CB 0.344 30.152 29.700 0.179 0.000 1.040 319 E HN 0.485 nan 8.360 nan 0.000 0.481 320 L N 2.542 123.733 121.223 -0.053 0.000 2.483 320 L HA 0.103 4.444 4.340 0.003 0.000 0.275 320 L C -1.986 174.578 176.870 -0.510 0.000 1.220 320 L CA -1.675 52.938 54.840 -0.377 0.000 0.833 320 L CB -0.151 41.853 42.059 -0.093 0.000 1.102 320 L HN -0.197 nan 8.230 nan 0.000 0.490 321 P HA -0.116 nan 4.420 nan 0.000 0.255 321 P C -0.072 176.900 177.300 -0.546 0.000 1.161 321 P CA 0.366 62.957 63.100 -0.849 0.000 0.768 321 P CB 0.641 31.403 31.700 -1.564 0.000 0.746 322 A N 5.597 128.216 122.820 -0.334 0.000 2.067 322 A HA -0.190 4.132 4.320 0.003 0.000 0.219 322 A C 2.031 179.531 177.584 -0.140 0.000 1.158 322 A CA 1.093 53.023 52.037 -0.178 0.000 0.661 322 A CB -0.675 18.256 19.000 -0.116 0.000 0.801 322 A HN 0.624 nan 8.150 nan 0.000 0.452 323 R N -1.697 118.668 120.500 -0.224 0.000 2.200 323 R HA -0.163 4.179 4.340 0.003 0.000 0.234 323 R C 1.257 177.567 176.300 0.017 0.000 1.127 323 R CA 1.374 57.394 56.100 -0.134 0.000 0.989 323 R CB -0.414 29.766 30.300 -0.200 0.000 0.869 323 R HN 0.584 nan 8.270 nan 0.000 0.459 324 W N 1.399 122.594 121.300 -0.174 0.000 2.905 324 W HA 0.151 4.812 4.660 0.003 0.000 0.251 324 W C 0.168 176.642 176.519 -0.075 0.000 1.305 324 W CA -0.138 57.084 57.345 -0.204 0.000 1.465 324 W CB -0.479 28.614 29.460 -0.612 0.000 1.122 324 W HN 0.235 nan 8.180 nan 0.000 0.659 325 Q N -0.440 119.438 119.800 0.131 0.000 2.439 325 Q HA -0.267 4.075 4.340 0.003 0.000 0.361 325 Q C -1.075 175.016 176.000 0.151 0.000 1.408 325 Q CA 0.802 56.656 55.803 0.086 0.000 1.052 325 Q CB -1.981 26.790 28.738 0.056 0.000 1.233 325 Q HN 0.365 nan 8.270 nan 0.000 0.347 326 Y N -1.644 118.647 120.300 -0.016 0.000 2.521 326 Y HA 0.505 5.057 4.550 0.003 0.000 0.328 326 Y C 0.655 176.566 175.900 0.018 0.000 1.151 326 Y CA 0.355 58.463 58.100 0.013 0.000 1.054 326 Y CB 1.727 40.228 38.460 0.067 0.000 1.338 326 Y HN 0.189 nan 8.280 nan 0.000 0.453 327 G N 1.523 110.135 108.800 -0.314 0.000 2.227 327 G HA2 -0.207 3.755 3.960 0.003 0.000 0.168 327 G HA3 -0.207 3.755 3.960 0.003 0.000 0.168 327 G C 0.572 175.402 174.900 -0.116 0.000 1.006 327 G CA 0.315 45.306 45.100 -0.182 0.000 0.684 327 G HN 0.618 nan 8.290 nan 0.000 0.489 328 S N -0.623 115.010 115.700 -0.112 0.000 2.492 328 S HA 0.196 4.668 4.470 0.003 0.000 0.218 328 S C 0.714 175.281 174.600 -0.055 0.000 1.016 328 S CA -0.032 58.134 58.200 -0.056 0.000 0.916 328 S CB 0.085 63.268 63.200 -0.028 0.000 0.791 328 S HN 0.667 nan 8.310 nan 0.000 0.513 329 H N 2.906 121.890 119.070 -0.144 0.000 2.848 329 H HA 0.141 4.699 4.556 0.003 0.000 0.317 329 H C -1.688 173.591 175.328 -0.081 0.000 1.046 329 H CA -1.548 54.439 56.048 -0.102 0.000 1.470 329 H CB 1.041 30.732 29.762 -0.119 0.000 1.483 329 H HN -0.040 nan 8.280 nan 0.000 0.548 330 P HA -0.204 nan 4.420 nan 0.000 0.217 330 P C 0.896 178.249 177.300 0.089 0.000 1.148 330 P CA 1.391 64.483 63.100 -0.014 0.000 0.828 330 P CB 0.212 31.865 31.700 -0.078 0.000 0.783 331 R N -0.872 119.775 120.500 0.244 0.000 2.328 331 R HA 0.075 4.417 4.340 0.003 0.000 0.207 331 R C 0.914 177.285 176.300 0.118 0.000 1.056 331 R CA 0.136 56.351 56.100 0.191 0.000 1.016 331 R CB -0.566 29.863 30.300 0.215 0.000 0.872 331 R HN 0.277 nan 8.270 nan 0.000 0.471 332 I N 2.395 123.012 120.570 0.078 0.000 2.441 332 I HA 0.120 4.292 4.170 0.003 0.000 0.287 332 I C -2.063 174.092 176.117 0.064 0.000 1.049 332 I CA -2.399 58.922 61.300 0.035 0.000 1.381 332 I CB 0.920 38.858 38.000 -0.104 0.000 1.409 332 I HN -0.259 nan 8.210 nan 0.000 0.523 333 P HA 0.007 nan 4.420 nan 0.000 0.269 333 P C 0.624 177.991 177.300 0.112 0.000 1.215 333 P CA -0.149 63.004 63.100 0.088 0.000 0.780 333 P CB 0.577 32.321 31.700 0.073 0.000 0.898 334 S N 2.024 117.790 115.700 0.110 0.000 2.374 334 S HA -0.122 4.350 4.470 0.003 0.000 0.227 334 S C 0.659 175.353 174.600 0.156 0.000 1.037 334 S CA 1.180 59.449 58.200 0.115 0.000 1.024 334 S CB -0.804 62.456 63.200 0.100 0.000 0.861 334 S HN 0.325 nan 8.310 nan 0.000 0.456 335 L N 1.756 123.097 121.223 0.196 0.000 2.333 335 L HA 0.638 4.980 4.340 0.003 0.000 0.280 335 L C -1.241 175.812 176.870 0.304 0.000 1.004 335 L CA -0.794 54.198 54.840 0.254 0.000 0.820 335 L CB 2.091 44.306 42.059 0.261 0.000 1.247 335 L HN 0.005 nan 8.230 nan 0.000 0.416 336 V N 2.059 122.188 119.914 0.359 0.000 2.444 336 V HA 0.386 4.508 4.120 0.003 0.000 0.294 336 V C -0.384 176.001 176.094 0.485 0.000 1.022 336 V CA -0.497 62.040 62.300 0.396 0.000 0.850 336 V CB 1.881 33.976 31.823 0.453 0.000 0.992 336 V HN 0.838 nan 8.190 nan 0.000 0.426 337 c N 4.078 122.916 118.600 0.396 0.000 2.382 337 c HA 0.686 5.258 4.570 0.003 0.000 0.327 337 c C 0.008 174.336 174.090 0.397 0.000 1.250 337 c CA -0.639 55.938 56.329 0.412 0.000 1.707 337 c CB 1.219 43.918 42.510 0.316 0.000 2.272 337 c HN 0.858 nan 8.230 nan 0.000 0.506 338 Q N 3.250 123.370 119.800 0.532 0.000 2.348 338 Q HA 0.516 4.858 4.340 0.003 0.000 0.265 338 Q C -0.467 175.801 176.000 0.447 0.000 0.998 338 Q CA -0.204 55.891 55.803 0.486 0.000 0.831 338 Q CB 0.686 29.827 28.738 0.673 0.000 1.251 338 Q HN 0.632 nan 8.270 nan 0.000 0.456 339 M N 2.677 122.489 119.600 0.354 0.000 2.245 339 M HA 0.169 4.651 4.480 0.003 0.000 0.330 339 M C 0.081 176.690 176.300 0.514 0.000 1.098 339 M CA 0.271 55.793 55.300 0.370 0.000 1.172 339 M CB 0.030 32.857 32.600 0.379 0.000 1.467 339 M HN 0.713 nan 8.290 nan 0.000 0.454 340 H N -0.135 119.153 119.070 0.364 0.000 2.607 340 H HA 0.098 4.655 4.556 0.003 0.000 0.367 340 H C -0.007 175.352 175.328 0.051 0.000 1.181 340 H CA -0.698 55.499 56.048 0.248 0.000 1.402 340 H CB 0.664 30.538 29.762 0.188 0.000 1.474 340 H HN 0.520 nan 8.280 nan 0.000 0.596 341 E N 0.689 120.840 120.200 -0.082 0.000 2.652 341 E HA -0.118 4.234 4.350 0.003 0.000 0.255 341 E C 0.715 177.110 176.600 -0.342 0.000 0.952 341 E CA 0.966 56.974 56.400 -0.653 0.000 0.947 341 E CB 0.085 29.615 29.700 -0.284 0.000 0.912 341 E HN 0.949 nan 8.360 nan 0.000 0.489 342 G N 3.421 111.860 108.800 -0.602 0.000 2.176 342 G HA2 -0.266 3.696 3.960 0.003 0.000 0.253 342 G HA3 -0.266 3.696 3.960 0.003 0.000 0.253 342 G C -0.584 174.261 174.900 -0.091 0.000 0.979 342 G CA 0.121 45.083 45.100 -0.230 0.000 0.641 342 G HN 0.527 nan 8.290 nan 0.000 0.530 343 W N 0.827 122.208 121.300 0.135 0.000 2.689 343 W HA 0.691 5.353 4.660 0.003 0.000 0.340 343 W C -0.577 176.093 176.519 0.251 0.000 1.060 343 W CA -0.577 56.897 57.345 0.215 0.000 1.218 343 W CB 1.544 31.110 29.460 0.176 0.000 1.410 343 W HN -0.048 nan 8.180 nan 0.000 0.528 344 D N 1.272 121.879 120.400 0.345 0.000 2.481 344 D HA 0.596 5.237 4.640 0.003 0.000 0.244 344 D C -1.055 175.336 176.300 0.152 0.000 1.057 344 D CA -0.562 53.550 54.000 0.187 0.000 0.848 344 D CB 2.042 42.889 40.800 0.077 0.000 1.388 344 D HN 0.338 nan 8.370 nan 0.000 0.475 345 A N 2.465 125.306 122.820 0.035 0.000 2.304 345 A HA 0.676 4.998 4.320 0.003 0.000 0.314 345 A C -0.673 176.817 177.584 -0.156 0.000 1.187 345 A CA -0.602 51.406 52.037 -0.048 0.000 0.810 345 A CB 0.376 19.312 19.000 -0.108 0.000 1.183 345 A HN 0.483 nan 8.150 nan 0.000 0.487 346 L N 1.817 122.961 121.223 -0.131 0.000 2.342 346 L HA 0.537 4.879 4.340 0.003 0.000 0.271 346 L C -0.422 176.362 176.870 -0.144 0.000 1.008 346 L CA -0.775 53.954 54.840 -0.186 0.000 0.818 346 L CB 1.420 43.439 42.059 -0.066 0.000 1.296 346 L HN 0.689 nan 8.230 nan 0.000 0.427 347 F N 2.040 121.953 119.950 -0.062 0.000 2.623 347 F HA -0.048 4.481 4.527 0.003 0.000 0.386 347 F C -1.033 174.743 175.800 -0.039 0.000 1.068 347 F CA -0.960 57.004 58.000 -0.060 0.000 1.265 347 F CB 0.083 39.033 39.000 -0.083 0.000 1.026 347 F HN 0.430 nan 8.300 nan 0.000 0.568 348 P HA -0.239 nan 4.420 nan 0.000 0.216 348 P C 1.120 178.458 177.300 0.064 0.000 1.150 348 P CA 1.800 64.951 63.100 0.085 0.000 0.843 348 P CB -0.064 31.674 31.700 0.064 0.000 0.787 349 D N 0.454 120.891 120.400 0.062 0.000 2.149 349 D HA -0.201 4.440 4.640 0.003 0.000 0.198 349 D C 1.532 177.853 176.300 0.036 0.000 0.990 349 D CA 1.454 55.472 54.000 0.030 0.000 0.839 349 D CB -0.953 39.845 40.800 -0.004 0.000 0.948 349 D HN 0.196 nan 8.370 nan 0.000 0.460 350 K N -0.454 119.984 120.400 0.064 0.000 2.097 350 K HA -0.061 4.261 4.320 0.003 0.000 0.206 350 K C 2.144 178.763 176.600 0.031 0.000 1.049 350 K CA 0.532 56.848 56.287 0.047 0.000 0.933 350 K CB -0.222 32.314 32.500 0.060 0.000 0.717 350 K HN 0.111 nan 8.250 nan 0.000 0.442 351 L N 0.831 122.075 121.223 0.036 0.000 2.201 351 L HA -0.077 4.265 4.340 0.003 0.000 0.212 351 L C 2.046 178.929 176.870 0.022 0.000 1.105 351 L CA 1.297 56.153 54.840 0.026 0.000 0.775 351 L CB -0.364 41.714 42.059 0.031 0.000 0.913 351 L HN 0.085 nan 8.230 nan 0.000 0.440 352 A N 0.107 122.940 122.820 0.021 0.000 1.855 352 A HA -0.141 4.181 4.320 0.003 0.000 0.213 352 A C 2.104 179.695 177.584 0.012 0.000 1.195 352 A CA 1.262 53.308 52.037 0.016 0.000 0.610 352 A CB -0.488 18.521 19.000 0.014 0.000 0.837 352 A HN 0.527 nan 8.150 nan 0.000 0.444 353 K N -0.089 120.319 120.400 0.012 0.000 2.555 353 K HA -0.030 4.292 4.320 0.003 0.000 0.193 353 K C 0.775 177.380 176.600 0.008 0.000 1.032 353 K CA 0.327 56.619 56.287 0.009 0.000 1.004 353 K CB -0.230 32.274 32.500 0.007 0.000 0.804 353 K HN 0.274 nan 8.250 nan 0.000 0.496 354 R N 2.081 122.586 120.500 0.008 0.000 2.612 354 R HA 0.174 4.516 4.340 0.003 0.000 0.273 354 R C -0.595 175.708 176.300 0.004 0.000 1.376 354 R CA -0.053 56.050 56.100 0.004 0.000 1.171 354 R CB -0.111 30.191 30.300 0.003 0.000 1.151 354 R HN 0.263 nan 8.270 nan 0.000 0.560 355 A N 4.866 127.689 122.820 0.005 0.000 2.504 355 A HA -0.111 4.211 4.320 0.003 0.000 0.280 355 A C -0.007 177.580 177.584 0.006 0.000 1.125 355 A CA 0.487 52.528 52.037 0.007 0.000 0.873 355 A CB -0.333 18.672 19.000 0.009 0.000 0.997 355 A HN 0.817 nan 8.150 nan 0.000 0.542 356 Q N 1.394 121.198 119.800 0.006 0.000 2.300 356 Q HA 0.246 4.587 4.340 0.003 0.000 0.262 356 Q C 0.894 176.898 176.000 0.006 0.000 1.109 356 Q CA 0.321 56.126 55.803 0.003 0.000 0.905 356 Q CB 0.521 29.261 28.738 0.003 0.000 1.280 356 Q HN 0.869 nan 8.270 nan 0.000 0.426 357 R N 1.755 122.258 120.500 0.006 0.000 5.238 357 R HA 0.100 4.442 4.340 0.003 0.000 0.061 357 R C 0.054 176.361 176.300 0.013 0.000 0.721 357 R CA 0.531 56.639 56.100 0.012 0.000 1.410 357 R CB -0.153 30.160 30.300 0.021 0.000 1.353 357 R HN 0.612 nan 8.270 nan 0.000 0.401 358 G N 1.340 110.152 108.800 0.020 0.000 2.503 358 G HA2 0.334 4.295 3.960 0.003 0.000 0.257 358 G HA3 0.334 4.295 3.960 0.003 0.000 0.257 358 G C -0.541 174.366 174.900 0.012 0.000 1.214 358 G CA -0.127 44.995 45.100 0.037 0.000 0.839 358 G HN 0.224 nan 8.290 nan 0.000 0.559 359 T N 1.472 116.037 114.554 0.020 0.000 2.916 359 T HA 0.301 4.653 4.350 0.003 0.000 0.303 359 T C 0.716 175.418 174.700 0.002 0.000 1.025 359 T CA 0.479 62.572 62.100 -0.012 0.000 1.142 359 T CB 0.510 69.369 68.868 -0.014 0.000 0.947 359 T HN 0.512 nan 8.240 nan 0.000 0.544 360 R N 0.516 120.995 120.500 -0.035 0.000 3.121 360 R HA 0.812 5.154 4.340 0.003 0.000 0.242 360 R C -0.053 176.222 176.300 -0.041 0.000 1.402 360 R CA -1.118 54.965 56.100 -0.028 0.000 1.042 360 R CB 1.574 31.860 30.300 -0.024 0.000 1.410 360 R HN 0.753 nan 8.270 nan 0.000 0.494 361 G N -0.508 108.273 108.800 -0.030 0.000 2.649 361 G HA2 0.579 4.541 3.960 0.003 0.000 0.290 361 G HA3 0.579 4.541 3.960 0.003 0.000 0.290 361 G C -1.477 173.380 174.900 -0.073 0.000 1.426 361 G CA -0.300 44.764 45.100 -0.059 0.000 0.794 361 G HN 0.363 nan 8.290 nan 0.000 0.483 362 S N -1.586 114.078 115.700 -0.060 0.000 2.578 362 S HA 0.629 5.101 4.470 0.003 0.000 0.272 362 S C -0.718 173.858 174.600 -0.040 0.000 1.145 362 S CA -0.692 57.446 58.200 -0.104 0.000 0.835 362 S CB 1.439 64.621 63.200 -0.031 0.000 1.104 362 S HN 1.107 nan 8.310 nan 0.000 0.458 363 H N -1.268 117.616 119.070 -0.310 0.000 3.779 363 H HA 0.871 5.429 4.556 0.003 0.000 0.320 363 H C 1.068 175.961 175.328 -0.726 0.000 1.666 363 H CA -0.382 55.424 56.048 -0.403 0.000 1.439 363 H CB -0.063 29.375 29.762 -0.540 0.000 1.281 363 H HN 1.136 nan 8.280 nan 0.000 0.809 364 G N -1.662 106.792 108.800 -0.577 0.000 2.176 364 G HA2 -0.267 3.695 3.960 0.003 0.000 0.253 364 G HA3 -0.267 3.695 3.960 0.003 0.000 0.253 364 G C -0.688 173.849 174.900 -0.606 0.000 0.979 364 G CA 0.348 45.053 45.100 -0.657 0.000 0.641 364 G HN 0.515 nan 8.290 nan 0.000 0.530 365 Y N 0.509 120.726 120.300 -0.138 0.000 2.392 365 Y HA 0.545 5.097 4.550 0.003 0.000 0.323 365 Y C 0.895 176.758 175.900 -0.061 0.000 1.291 365 Y CA -1.267 56.804 58.100 -0.049 0.000 1.345 365 Y CB 0.304 38.790 38.460 0.044 0.000 1.320 365 Y HN 0.070 nan 8.280 nan 0.000 0.518 366 D N 2.310 122.861 120.400 0.252 0.000 3.434 366 D HA -0.109 4.533 4.640 0.003 0.000 0.215 366 D C -1.859 174.558 176.300 0.195 0.000 1.157 366 D CA -0.389 53.779 54.000 0.280 0.000 0.785 366 D CB 0.567 41.635 40.800 0.447 0.000 1.164 366 D HN 0.249 nan 8.370 nan 0.000 0.580 367 P HA -0.051 nan 4.420 nan 0.000 0.228 367 P C 0.474 177.829 177.300 0.090 0.000 1.151 367 P CA 0.941 64.098 63.100 0.095 0.000 0.770 367 P CB 0.229 31.987 31.700 0.096 0.000 0.786 368 A N -1.325 121.580 122.820 0.141 0.000 2.275 368 A HA 0.124 4.446 4.320 0.003 0.000 0.212 368 A C 0.757 178.328 177.584 -0.022 0.000 1.201 368 A CA -0.056 52.006 52.037 0.043 0.000 0.843 368 A CB -0.825 18.227 19.000 0.087 0.000 0.873 368 A HN 0.125 nan 8.150 nan 0.000 0.492 369 L N 0.083 121.316 121.223 0.017 0.000 2.380 369 L HA 0.182 4.524 4.340 0.003 0.000 0.273 369 L C -1.448 175.365 176.870 -0.095 0.000 1.138 369 L CA -1.717 53.114 54.840 -0.015 0.000 0.832 369 L CB 1.092 43.179 42.059 0.047 0.000 1.124 369 L HN 0.067 nan 8.230 nan 0.000 0.454 370 P HA -0.176 nan 4.420 nan 0.000 0.218 370 P C 1.433 178.677 177.300 -0.094 0.000 1.146 370 P CA 1.120 64.113 63.100 -0.178 0.000 0.813 370 P CB 0.180 31.797 31.700 -0.138 0.000 0.778 371 S N -2.118 113.557 115.700 -0.041 0.000 2.453 371 S HA -0.038 4.434 4.470 0.003 0.000 0.231 371 S C 1.675 176.300 174.600 0.041 0.000 1.005 371 S CA 0.872 59.071 58.200 -0.002 0.000 0.949 371 S CB -0.871 62.331 63.200 0.002 0.000 0.774 371 S HN -0.030 nan 8.310 nan 0.000 0.510 372 M N 0.958 120.584 119.600 0.043 0.000 2.495 372 M HA 0.283 4.765 4.480 0.003 0.000 0.237 372 M C 0.411 176.747 176.300 0.060 0.000 1.131 372 M CA 0.193 55.542 55.300 0.081 0.000 1.032 372 M CB -0.812 31.838 32.600 0.084 0.000 1.513 372 M HN 0.254 nan 8.290 nan 0.000 0.488 373 R N 1.018 121.520 120.500 0.005 0.000 2.484 373 R HA 0.311 4.653 4.340 0.003 0.000 0.293 373 R C 0.285 176.642 176.300 0.096 0.000 1.023 373 R CA -0.062 56.053 56.100 0.025 0.000 1.037 373 R CB 0.364 30.636 30.300 -0.048 0.000 0.951 373 R HN 0.182 nan 8.270 nan 0.000 0.418 374 A N 3.104 125.994 122.820 0.118 0.000 2.247 374 A HA 0.530 4.852 4.320 0.003 0.000 0.313 374 A C -0.312 177.377 177.584 0.175 0.000 1.109 374 A CA -0.675 51.423 52.037 0.101 0.000 0.890 374 A CB 0.983 20.012 19.000 0.048 0.000 1.239 374 A HN 0.448 nan 8.150 nan 0.000 0.506 375 V N -0.233 119.774 119.914 0.156 0.000 2.617 375 V HA 0.538 4.660 4.120 0.003 0.000 0.298 375 V C -0.884 175.390 176.094 0.300 0.000 1.048 375 V CA -0.013 62.408 62.300 0.201 0.000 0.964 375 V CB 1.199 33.098 31.823 0.126 0.000 1.004 375 V HN 0.700 nan 8.190 nan 0.000 0.466 376 F N 6.578 126.632 119.950 0.174 0.000 2.617 376 F HA 0.760 5.289 4.527 0.003 0.000 0.325 376 F C -1.006 174.881 175.800 0.145 0.000 1.179 376 F CA -0.751 57.373 58.000 0.206 0.000 0.965 376 F CB 1.317 40.549 39.000 0.387 0.000 1.232 376 F HN 0.408 nan 8.300 nan 0.000 0.461 377 L N 3.664 124.518 121.223 -0.616 0.000 2.409 377 L HA 1.123 5.465 4.340 0.003 0.000 0.255 377 L C -1.437 175.022 176.870 -0.685 0.000 1.027 377 L CA -0.968 53.541 54.840 -0.552 0.000 0.834 377 L CB 1.734 43.676 42.059 -0.195 0.000 1.426 377 L HN 0.748 nan 8.230 nan 0.000 0.411 378 A N 0.898 123.468 122.820 -0.416 0.000 2.604 378 A HA 0.860 5.182 4.320 0.003 0.000 0.295 378 A C -1.674 175.828 177.584 -0.137 0.000 1.067 378 A CA -0.350 51.523 52.037 -0.272 0.000 0.683 378 A CB 2.047 20.896 19.000 -0.252 0.000 1.281 378 A HN 0.867 nan 8.150 nan 0.000 0.407 379 Q N 0.366 120.112 119.800 -0.090 0.000 2.545 379 Q HA 0.579 4.921 4.340 0.003 0.000 0.273 379 Q C -0.625 175.344 176.000 -0.052 0.000 0.975 379 Q CA 0.389 56.152 55.803 -0.067 0.000 0.876 379 Q CB 1.901 30.596 28.738 -0.072 0.000 1.472 379 Q HN 2.685 nan 8.270 nan 0.000 0.389 380 G N 2.280 111.048 108.800 -0.053 0.000 2.369 380 G HA2 0.072 4.034 3.960 0.003 0.000 0.307 380 G HA3 0.072 4.034 3.960 0.003 0.000 0.307 380 G C -2.577 172.285 174.900 -0.064 0.000 1.327 380 G CA -0.113 44.949 45.100 -0.064 0.000 0.963 380 G HN 0.368 nan 8.290 nan 0.000 0.590 381 P HA -0.039 nan 4.420 nan 0.000 0.217 381 P C 0.557 177.864 177.300 0.012 0.000 1.148 381 P CA 1.627 64.668 63.100 -0.098 0.000 0.828 381 P CB 0.115 31.610 31.700 -0.342 0.000 0.783 382 D N -0.879 119.547 120.400 0.042 0.000 2.340 382 D HA 0.191 4.833 4.640 0.003 0.000 0.217 382 D C 0.663 176.980 176.300 0.028 0.000 1.081 382 D CA 0.237 54.276 54.000 0.065 0.000 0.842 382 D CB 0.483 41.342 40.800 0.099 0.000 0.934 382 D HN 0.256 nan 8.370 nan 0.000 0.511 383 L N 0.390 121.618 121.223 0.008 0.000 2.354 383 L HA 0.543 4.885 4.340 0.003 0.000 0.269 383 L C 0.504 177.368 176.870 -0.010 0.000 1.005 383 L CA -1.079 53.761 54.840 -0.000 0.000 0.819 383 L CB 1.874 43.928 42.059 -0.009 0.000 1.311 383 L HN -0.195 nan 8.230 nan 0.000 0.423 384 A N 2.049 124.863 122.820 -0.010 0.000 2.455 384 A HA 0.324 4.646 4.320 0.003 0.000 0.244 384 A C -0.399 177.169 177.584 -0.026 0.000 1.099 384 A CA 0.243 52.271 52.037 -0.016 0.000 0.786 384 A CB 0.152 19.143 19.000 -0.015 0.000 1.051 384 A HN 0.744 nan 8.150 nan 0.000 0.508 385 Q N -0.901 118.882 119.800 -0.028 0.000 2.304 385 Q HA 0.516 4.858 4.340 0.003 0.000 0.270 385 Q C 0.256 176.234 176.000 -0.037 0.000 1.035 385 Q CA -0.110 55.669 55.803 -0.039 0.000 0.781 385 Q CB 1.941 30.655 28.738 -0.039 0.000 1.261 385 Q HN 1.856 nan 8.270 nan 0.000 0.444 386 G N 2.080 110.853 108.800 -0.045 0.000 2.198 386 G HA2 -0.307 3.655 3.960 0.003 0.000 0.257 386 G HA3 -0.307 3.655 3.960 0.003 0.000 0.257 386 G C -0.235 174.649 174.900 -0.027 0.000 1.042 386 G CA 0.316 45.393 45.100 -0.038 0.000 0.791 386 G HN 0.390 nan 8.290 nan 0.000 0.502 387 K N 0.021 120.406 120.400 -0.025 0.000 2.156 387 K HA 0.671 4.993 4.320 0.003 0.000 0.254 387 K C -0.235 176.357 176.600 -0.013 0.000 0.950 387 K CA -0.403 55.872 56.287 -0.019 0.000 0.849 387 K CB 1.127 33.615 32.500 -0.019 0.000 1.100 387 K HN 0.091 nan 8.250 nan 0.000 0.434 388 T N 3.175 117.721 114.554 -0.014 0.000 2.887 388 T HA 0.509 4.861 4.350 0.003 0.000 0.288 388 T C -0.741 173.941 174.700 -0.030 0.000 1.021 388 T CA -0.726 61.368 62.100 -0.011 0.000 1.000 388 T CB 0.871 69.735 68.868 -0.008 0.000 1.034 388 T HN 0.346 nan 8.240 nan 0.000 0.467 389 L N 2.889 124.088 121.223 -0.040 0.000 2.362 389 L HA 0.531 4.873 4.340 0.003 0.000 0.271 389 L C -2.446 174.344 176.870 -0.134 0.000 1.002 389 L CA -2.669 52.113 54.840 -0.097 0.000 0.818 389 L CB 1.951 43.920 42.059 -0.150 0.000 1.298 389 L HN 0.350 nan 8.230 nan 0.000 0.420 390 P HA 0.027 nan 4.420 nan 0.000 0.269 390 P C 0.015 177.098 177.300 -0.363 0.000 1.217 390 P CA -0.216 62.752 63.100 -0.219 0.000 0.783 390 P CB 0.395 32.006 31.700 -0.148 0.000 0.898 391 G N 0.958 109.278 108.800 -0.800 0.000 2.391 391 G HA2 0.378 4.339 3.960 0.003 0.000 0.234 391 G HA3 0.378 4.339 3.960 0.003 0.000 0.234 391 G C -0.605 173.912 174.900 -0.640 0.000 1.284 391 G CA -0.050 44.045 45.100 -1.675 0.000 0.873 391 G HN 0.550 nan 8.290 nan 0.000 0.549 392 F N -0.216 119.429 119.950 -0.509 0.000 2.745 392 F HA 0.679 5.207 4.527 0.003 0.000 0.316 392 F C -1.131 174.702 175.800 0.054 0.000 1.155 392 F CA -1.632 56.279 58.000 -0.148 0.000 0.937 392 F CB 1.599 40.480 39.000 -0.198 0.000 1.361 392 F HN 0.467 nan 8.300 nan 0.000 0.472 393 D N 0.798 121.085 120.400 -0.188 0.000 2.163 393 D HA 0.209 4.851 4.640 0.003 0.000 0.248 393 D C 0.692 176.808 176.300 -0.307 0.000 1.035 393 D CA -0.480 53.404 54.000 -0.194 0.000 0.872 393 D CB 1.281 42.097 40.800 0.026 0.000 1.183 393 D HN 0.648 nan 8.370 nan 0.000 0.445 394 N N 2.497 121.060 118.700 -0.227 0.000 2.364 394 N HA -0.197 4.545 4.740 0.003 0.000 0.183 394 N C 1.667 177.205 175.510 0.046 0.000 1.022 394 N CA 1.723 54.701 53.050 -0.120 0.000 0.883 394 N CB -0.910 37.565 38.487 -0.021 0.000 0.965 394 N HN 0.326 nan 8.380 nan 0.000 0.438 395 V N -2.353 117.601 119.914 0.068 0.000 2.720 395 V HA -0.125 3.997 4.120 0.003 0.000 0.256 395 V C 1.175 177.357 176.094 0.147 0.000 1.082 395 V CA 1.903 64.269 62.300 0.110 0.000 1.101 395 V CB -0.597 31.285 31.823 0.097 0.000 0.693 395 V HN -0.000 nan 8.190 nan 0.000 0.479 396 D N 0.607 121.109 120.400 0.170 0.000 2.317 396 D HA -0.005 4.637 4.640 0.003 0.000 0.211 396 D C 2.154 178.569 176.300 0.192 0.000 0.966 396 D CA 1.081 55.200 54.000 0.198 0.000 0.876 396 D CB 0.144 41.110 40.800 0.276 0.000 0.927 396 D HN 0.480 nan 8.370 nan 0.000 0.519 397 V N 0.641 120.692 119.914 0.228 0.000 2.427 397 V HA -0.266 3.856 4.120 0.003 0.000 0.248 397 V C 2.144 178.343 176.094 0.176 0.000 1.051 397 V CA 1.145 63.569 62.300 0.206 0.000 1.048 397 V CB -0.716 31.271 31.823 0.273 0.000 0.666 397 V HN 0.173 nan 8.190 nan 0.000 0.456 398 Y N 1.747 122.088 120.300 0.069 0.000 2.102 398 Y HA -0.353 4.199 4.550 0.003 0.000 0.280 398 Y C 2.418 178.325 175.900 0.011 0.000 1.178 398 Y CA 1.957 60.070 58.100 0.021 0.000 1.146 398 Y CB -0.524 37.935 38.460 -0.003 0.000 0.968 398 Y HN 0.169 nan 8.280 nan 0.000 0.504 399 A N -0.303 122.585 122.820 0.113 0.000 1.972 399 A HA -0.179 4.142 4.320 0.003 0.000 0.219 399 A C 2.148 179.688 177.584 -0.073 0.000 1.169 399 A CA 1.725 53.772 52.037 0.017 0.000 0.635 399 A CB -1.092 17.958 19.000 0.083 0.000 0.810 399 A HN 0.577 nan 8.150 nan 0.000 0.446 400 L N -0.717 120.482 121.223 -0.040 0.000 2.044 400 L HA -0.050 4.292 4.340 0.003 0.000 0.205 400 L C 2.444 179.281 176.870 -0.055 0.000 1.075 400 L CA 1.960 56.785 54.840 -0.025 0.000 0.747 400 L CB -0.518 41.559 42.059 0.030 0.000 0.903 400 L HN 0.409 nan 8.230 nan 0.000 0.435 401 M N -1.157 118.390 119.600 -0.088 0.000 2.086 401 M HA -0.202 4.280 4.480 0.003 0.000 0.261 401 M C 2.303 178.482 176.300 -0.203 0.000 1.067 401 M CA 1.846 57.072 55.300 -0.123 0.000 1.116 401 M CB -0.580 31.934 32.600 -0.144 0.000 1.348 401 M HN 0.268 nan 8.290 nan 0.000 0.407 402 S N 0.048 115.533 115.700 -0.358 0.000 2.365 402 S HA -0.197 4.275 4.470 0.003 0.000 0.225 402 S C 1.878 176.379 174.600 -0.166 0.000 1.039 402 S CA 1.497 59.496 58.200 -0.336 0.000 1.033 402 S CB -0.445 62.492 63.200 -0.438 0.000 0.887 402 S HN 0.404 nan 8.310 nan 0.000 0.447 403 R N 0.735 121.162 120.500 -0.122 0.000 2.070 403 R HA 0.013 4.355 4.340 0.003 0.000 0.233 403 R C 2.231 178.500 176.300 -0.052 0.000 1.137 403 R CA 1.186 57.245 56.100 -0.069 0.000 0.945 403 R CB -0.391 29.881 30.300 -0.048 0.000 0.845 403 R HN 0.356 nan 8.270 nan 0.000 0.430 404 L N 0.652 121.849 121.223 -0.043 0.000 2.131 404 L HA -0.167 4.175 4.340 0.003 0.000 0.210 404 L C 2.022 178.880 176.870 -0.021 0.000 1.092 404 L CA 0.973 55.804 54.840 -0.016 0.000 0.759 404 L CB -0.163 41.896 42.059 0.001 0.000 0.903 404 L HN 0.293 nan 8.230 nan 0.000 0.435 405 L N -0.584 120.609 121.223 -0.051 0.000 2.591 405 L HA 0.161 4.503 4.340 0.003 0.000 0.228 405 L C 1.361 178.199 176.870 -0.053 0.000 1.133 405 L CA 0.337 55.147 54.840 -0.049 0.000 0.880 405 L CB -0.322 41.693 42.059 -0.074 0.000 1.033 405 L HN 0.424 nan 8.230 nan 0.000 0.450 406 G N 1.905 110.671 108.800 -0.056 0.000 2.249 406 G HA2 -0.289 3.673 3.960 0.003 0.000 0.273 406 G HA3 -0.289 3.673 3.960 0.003 0.000 0.273 406 G C 0.225 175.093 174.900 -0.053 0.000 1.036 406 G CA 0.639 45.708 45.100 -0.051 0.000 0.824 406 G HN 0.492 nan 8.290 nan 0.000 0.504 407 I N -2.446 118.085 120.570 -0.065 0.000 2.525 407 I HA 0.718 4.889 4.170 0.003 0.000 0.301 407 I C -2.022 174.067 176.117 -0.047 0.000 0.992 407 I CA -3.307 57.960 61.300 -0.056 0.000 1.162 407 I CB 1.957 39.918 38.000 -0.065 0.000 1.332 407 I HN -0.119 nan 8.210 nan 0.000 0.458 408 P HA 0.114 nan 4.420 nan 0.000 0.267 408 P C -0.390 176.919 177.300 0.015 0.000 1.205 408 P CA -0.032 63.063 63.100 -0.007 0.000 0.765 408 P CB 0.874 32.574 31.700 0.000 0.000 0.828 409 A N 3.501 126.342 122.820 0.034 0.000 2.454 409 A HA 0.489 4.811 4.320 0.003 0.000 0.260 409 A C 0.765 178.453 177.584 0.174 0.000 1.106 409 A CA -0.256 51.858 52.037 0.128 0.000 0.780 409 A CB -0.261 18.815 19.000 0.127 0.000 1.044 409 A HN 0.666 nan 8.150 nan 0.000 0.498 410 A N 4.335 127.314 122.820 0.264 0.000 2.366 410 A HA 0.597 4.919 4.320 0.003 0.000 0.249 410 A C -2.254 175.334 177.584 0.006 0.000 1.084 410 A CA -1.299 50.788 52.037 0.083 0.000 0.794 410 A CB -0.555 18.453 19.000 0.013 0.000 1.034 410 A HN 0.655 nan 8.150 nan 0.000 0.491 411 P HA 0.178 nan 4.420 nan 0.000 0.264 411 P C -0.722 176.501 177.300 -0.128 0.000 1.183 411 P CA 0.420 63.484 63.100 -0.059 0.000 0.763 411 P CB 0.276 31.941 31.700 -0.059 0.000 0.807 412 N N -0.236 118.401 118.700 -0.105 0.000 2.927 412 N HA 0.272 5.013 4.740 0.003 0.000 0.248 412 N C -0.748 174.736 175.510 -0.043 0.000 1.443 412 N CA -0.753 52.215 53.050 -0.136 0.000 0.870 412 N CB 0.484 38.814 38.487 -0.261 0.000 1.444 412 N HN -0.022 nan 8.380 nan 0.000 0.519 413 D N -1.062 119.339 120.400 0.001 0.000 2.339 413 D HA 0.204 4.846 4.640 0.003 0.000 0.217 413 D C 0.553 176.896 176.300 0.072 0.000 1.050 413 D CA 0.309 54.348 54.000 0.066 0.000 0.856 413 D CB -0.037 40.855 40.800 0.155 0.000 0.922 413 D HN 0.573 nan 8.370 nan 0.000 0.518 414 G N 0.215 109.055 108.800 0.068 0.000 2.511 414 G HA2 0.203 4.165 3.960 0.003 0.000 0.316 414 G HA3 0.203 4.165 3.960 0.003 0.000 0.316 414 G C -0.195 174.752 174.900 0.078 0.000 1.210 414 G CA -0.443 44.711 45.100 0.089 0.000 0.969 414 G HN -0.046 nan 8.290 nan 0.000 0.492 415 N N 0.285 119.033 118.700 0.080 0.000 2.469 415 N HA 0.320 5.062 4.740 0.003 0.000 0.253 415 N C -1.859 173.679 175.510 0.046 0.000 0.970 415 N CA -2.076 51.009 53.050 0.058 0.000 0.940 415 N CB 2.251 40.769 38.487 0.052 0.000 1.128 415 N HN -0.050 nan 8.380 nan 0.000 0.503 416 P HA 0.026 nan 4.420 nan 0.000 0.228 416 P C 0.638 177.938 177.300 0.000 0.000 1.151 416 P CA 0.558 63.674 63.100 0.026 0.000 0.770 416 P CB 0.314 32.031 31.700 0.028 0.000 0.786 417 A N -1.021 121.798 122.820 -0.002 0.000 2.021 417 A HA -0.052 4.270 4.320 0.003 0.000 0.216 417 A C 2.127 179.685 177.584 -0.043 0.000 1.163 417 A CA 1.507 53.533 52.037 -0.018 0.000 0.676 417 A CB -1.566 17.428 19.000 -0.010 0.000 0.818 417 A HN 0.107 nan 8.150 nan 0.000 0.453 418 T N 0.545 115.072 114.554 -0.044 0.000 2.652 418 T HA -0.106 4.246 4.350 0.003 0.000 0.267 418 T C 1.422 176.008 174.700 -0.190 0.000 1.039 418 T CA 1.543 63.586 62.100 -0.095 0.000 1.153 418 T CB -0.287 68.551 68.868 -0.051 0.000 0.863 418 T HN 0.352 nan 8.240 nan 0.000 0.428 419 L N 0.710 121.817 121.223 -0.194 0.000 2.628 419 L HA 0.290 4.632 4.340 0.003 0.000 0.229 419 L C 1.771 178.570 176.870 -0.118 0.000 1.137 419 L CA -0.061 54.635 54.840 -0.240 0.000 0.909 419 L CB -0.279 41.616 42.059 -0.273 0.000 1.137 419 L HN 0.244 nan 8.230 nan 0.000 0.470 420 L N 0.478 121.651 121.223 -0.083 0.000 2.083 420 L HA -0.139 4.203 4.340 0.003 0.000 0.209 420 L C -0.209 176.631 176.870 -0.049 0.000 1.083 420 L CA 1.286 56.096 54.840 -0.051 0.000 0.752 420 L CB -1.537 40.499 42.059 -0.039 0.000 0.899 420 L HN 0.275 nan 8.230 nan 0.000 0.433 421 P HA -0.124 nan 4.420 nan 0.000 0.220 421 P C 1.424 178.698 177.300 -0.043 0.000 1.148 421 P CA 1.343 64.410 63.100 -0.055 0.000 0.803 421 P CB 0.007 31.665 31.700 -0.071 0.000 0.782 422 A N -0.771 122.022 122.820 -0.045 0.000 2.076 422 A HA -0.101 4.221 4.320 0.003 0.000 0.220 422 A C 1.127 178.716 177.584 0.007 0.000 1.160 422 A CA 0.846 52.884 52.037 0.001 0.000 0.653 422 A CB -1.322 17.711 19.000 0.054 0.000 0.801 422 A HN 0.156 nan 8.150 nan 0.000 0.455 423 L N -1.065 120.156 121.223 -0.004 0.000 2.417 423 L HA 0.221 4.563 4.340 0.003 0.000 0.268 423 L C 1.766 178.635 176.870 -0.002 0.000 1.158 423 L CA -0.442 54.398 54.840 0.001 0.000 0.819 423 L CB 0.518 42.575 42.059 -0.003 0.000 1.112 423 L HN 0.391 nan 8.230 nan 0.000 0.458 424 R N 1.695 122.196 120.500 0.003 0.000 2.080 424 R HA -0.058 4.284 4.340 0.003 0.000 0.236 424 R C 0.696 176.995 176.300 -0.002 0.000 1.137 424 R CA 1.367 57.467 56.100 0.000 0.000 0.943 424 R CB 0.202 30.506 30.300 0.007 0.000 0.846 424 R HN 0.510 nan 8.270 nan 0.000 0.431 425 M N 0.000 119.600 119.600 0.000 0.000 2.572 425 M HA 0.000 4.482 4.480 0.003 0.000 0.227 425 M CA 0.000 55.298 55.300 -0.003 0.000 0.988 425 M CB 0.000 32.599 32.600 -0.001 0.000 1.302 425 M HN 0.000 nan 8.290 nan 0.000 0.411