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 2z86_1_D DATA FIRST_RESID 59 DATA SEQUENCE AVIDIDAATK IMCSNAKAIS LNEVEKNEII SKYREITAKK SERAELKEVE DATA SEQUENCE PIPLDWPSDL TLPPLPESTN DYVWAGKRKE XXXXXXXXLI IDGLSIVIPT DATA SEQUENCE YNRAKILAIT LACLCNQKTI YDYEVIVADD GSKENIEEIV REFESLLNIK DATA SEQUENCE YVRQKDYGYQ LCAVRNLGLR AAKYNYVAIL DCDMAPNPLW VQSYMELLAV DATA SEQUENCE DDNVALIGPR KYIDTSKHTY LDFLSQKSLI NEIPEIITNN QVAGKVEQNK DATA SEQUENCE SVDWRIEHFK NTDNLRLCNT PFRFFSGGNV AFAKKWLFRA GWFDEEFTHW DATA SEQUENCE GGEDNEFGYR LYREGCYFRS VEGAMAYHQE PPGXXXXXXX XXXXXXTVQL DATA SEQUENCE LQQKVPYFYR KKEKIESATL KRVPLVSIYI PAYNCSKYIV RCVESALNQT DATA SEQUENCE ITDLEVCICD DGSTDDTLRI LQEHYANHPR VRFISQKNKG IGSASNTAVR DATA SEQUENCE LCRGFYIGQL DSDDFLEPDA VELCLDEFRK DLSLACVYTT NRNIDREGNL DATA SEQUENCE ISNGYNWPIY SREKLTSAMI CHHFRMFTAR AWNLTEGFNE SISNAVDYDM DATA SEQUENCE YLKLSEVGPF KHINKICYNR VLHXXXXXXX XXDIQKENHF KVVNESLSRL DATA SEQUENCE GIKKYKYSPL TNLNECRKYT WEKI 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 59 A HA 0.000 nan 4.320 nan 0.000 0.244 59 A C 0.000 177.558 177.584 -0.044 0.000 1.274 59 A CA 0.000 52.016 52.037 -0.035 0.000 0.836 59 A CB 0.000 18.976 19.000 -0.039 0.000 0.831 60 V N 3.678 123.565 119.914 -0.044 0.000 2.293 60 V HA 0.377 4.497 4.120 -0.000 0.000 0.275 60 V C 0.128 176.182 176.094 -0.067 0.000 1.021 60 V CA -0.134 62.137 62.300 -0.049 0.000 0.815 60 V CB 1.208 33.011 31.823 -0.034 0.000 1.025 60 V HN 0.790 nan 8.190 nan 0.000 0.448 61 I N 4.582 125.092 120.570 -0.100 0.000 2.269 61 I HA 0.341 4.511 4.170 -0.000 0.000 0.293 61 I C -0.368 175.687 176.117 -0.103 0.000 1.106 61 I CA -0.089 61.120 61.300 -0.152 0.000 1.248 61 I CB 0.323 38.160 38.000 -0.272 0.000 1.444 61 I HN 0.606 nan 8.210 nan 0.000 0.497 62 D N 7.552 127.917 120.400 -0.057 0.000 2.225 62 D HA 0.337 4.977 4.640 -0.000 0.000 0.249 62 D C 0.325 176.629 176.300 0.007 0.000 1.052 62 D CA -0.408 53.575 54.000 -0.028 0.000 0.909 62 D CB 1.441 42.234 40.800 -0.011 0.000 1.186 62 D HN 0.477 nan 8.370 nan 0.000 0.431 63 I N -1.371 119.192 120.570 -0.013 0.000 2.945 63 I HA 0.209 4.379 4.170 -0.000 0.000 0.292 63 I C 0.574 176.737 176.117 0.077 0.000 1.093 63 I CA -0.983 60.318 61.300 0.003 0.000 1.336 63 I CB 0.574 38.452 38.000 -0.205 0.000 1.435 63 I HN 0.333 nan 8.210 nan 0.000 0.593 64 D N 3.754 124.267 120.400 0.188 0.000 2.419 64 D HA -0.027 4.613 4.640 -0.000 0.000 0.236 64 D C 1.048 177.396 176.300 0.079 0.000 1.165 64 D CA 0.302 54.394 54.000 0.153 0.000 0.882 64 D CB 1.438 42.354 40.800 0.193 0.000 1.201 64 D HN 0.808 nan 8.370 nan 0.000 0.443 65 A N 3.305 126.174 122.820 0.080 0.000 1.859 65 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 65 A C 2.387 179.947 177.584 -0.039 0.000 1.209 65 A CA 3.426 55.491 52.037 0.046 0.000 0.639 65 A CB -1.407 17.665 19.000 0.120 0.000 0.835 65 A HN 0.904 nan 8.150 nan 0.000 0.450 66 A N -1.267 121.486 122.820 -0.111 0.000 1.881 66 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 66 A C 2.333 179.840 177.584 -0.129 0.000 1.215 66 A CA 3.032 54.908 52.037 -0.269 0.000 0.648 66 A CB -1.728 17.104 19.000 -0.280 0.000 0.832 66 A HN 0.539 nan 8.150 nan 0.000 0.455 67 T N -0.519 114.010 114.554 -0.042 0.000 2.720 67 T HA -0.190 4.160 4.350 -0.000 0.000 0.268 67 T C 1.972 176.636 174.700 -0.059 0.000 1.037 67 T CA 1.945 64.025 62.100 -0.033 0.000 1.144 67 T CB -0.240 68.615 68.868 -0.021 0.000 0.864 67 T HN 0.565 nan 8.240 nan 0.000 0.444 68 K N 1.272 121.639 120.400 -0.055 0.000 2.009 68 K HA -0.024 4.296 4.320 -0.000 0.000 0.210 68 K C 2.044 178.613 176.600 -0.052 0.000 1.049 68 K CA 1.465 57.722 56.287 -0.049 0.000 0.929 68 K CB -0.689 31.793 32.500 -0.031 0.000 0.714 68 K HN 0.374 nan 8.250 nan 0.000 0.440 69 I N 0.142 120.672 120.570 -0.066 0.000 2.226 69 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 69 I C 2.408 178.483 176.117 -0.069 0.000 1.100 69 I CA 1.338 62.596 61.300 -0.071 0.000 1.374 69 I CB -0.267 37.668 38.000 -0.108 0.000 1.057 69 I HN 0.239 nan 8.210 nan 0.000 0.413 70 M N -0.309 119.244 119.600 -0.079 0.000 2.099 70 M HA -0.218 4.262 4.480 -0.000 0.000 0.262 70 M C 2.573 178.847 176.300 -0.043 0.000 1.067 70 M CA 1.635 56.898 55.300 -0.061 0.000 1.124 70 M CB -0.617 31.950 32.600 -0.056 0.000 1.353 70 M HN 0.378 nan 8.290 nan 0.000 0.410 71 C N -0.476 118.799 119.300 -0.042 0.000 2.435 71 C HA -0.104 4.356 4.460 -0.000 0.000 0.279 71 C C 3.249 178.220 174.990 -0.032 0.000 1.321 71 C CA 1.310 60.307 59.018 -0.035 0.000 1.752 71 C CB -0.894 26.822 27.740 -0.041 0.000 1.959 71 C HN 0.630 nan 8.230 nan 0.000 0.500 72 S N 1.379 117.059 115.700 -0.034 0.000 2.348 72 S HA -0.172 4.298 4.470 -0.000 0.000 0.221 72 S C 1.829 176.413 174.600 -0.026 0.000 1.033 72 S CA 1.757 59.940 58.200 -0.028 0.000 1.010 72 S CB -0.435 62.748 63.200 -0.029 0.000 0.891 72 S HN 0.637 nan 8.310 nan 0.000 0.442 73 N N 1.897 120.579 118.700 -0.030 0.000 2.061 73 N HA -0.080 4.660 4.740 -0.000 0.000 0.193 73 N C 1.722 177.218 175.510 -0.024 0.000 1.030 73 N CA 1.428 54.462 53.050 -0.027 0.000 0.856 73 N CB -0.761 37.708 38.487 -0.031 0.000 1.023 73 N HN 0.546 nan 8.380 nan 0.000 0.424 74 A N 0.473 123.278 122.820 -0.025 0.000 2.239 74 A HA 0.004 4.324 4.320 -0.000 0.000 0.209 74 A C 1.010 178.583 177.584 -0.019 0.000 1.171 74 A CA 0.421 52.444 52.037 -0.023 0.000 0.768 74 A CB -0.452 18.534 19.000 -0.024 0.000 0.790 74 A HN 0.386 nan 8.150 nan 0.000 0.478 75 K N -3.267 117.122 120.400 -0.019 0.000 3.281 75 K HA -0.243 4.077 4.320 -0.000 0.000 0.295 75 K C 0.867 177.458 176.600 -0.015 0.000 1.233 75 K CA 0.559 56.836 56.287 -0.016 0.000 0.866 75 K CB -1.722 30.770 32.500 -0.013 0.000 1.265 75 K HN 0.707 nan 8.250 nan 0.000 0.482 76 A N 0.519 123.328 122.820 -0.018 0.000 2.168 76 A HA 0.176 4.496 4.320 -0.000 0.000 0.215 76 A C 0.945 178.518 177.584 -0.018 0.000 1.152 76 A CA 1.126 53.153 52.037 -0.017 0.000 0.716 76 A CB -0.359 18.629 19.000 -0.020 0.000 0.794 76 A HN 0.551 nan 8.150 nan 0.000 0.465 77 I N -5.693 114.866 120.570 -0.019 0.000 2.908 77 I HA 0.559 4.729 4.170 -0.000 0.000 0.300 77 I C -1.332 174.775 176.117 -0.016 0.000 1.385 77 I CA -0.710 60.579 61.300 -0.018 0.000 1.004 77 I CB 2.003 39.990 38.000 -0.022 0.000 1.309 77 I HN -0.234 nan 8.210 nan 0.000 0.449 78 S N 4.939 120.630 115.700 -0.014 0.000 2.449 78 S HA 0.786 5.256 4.470 -0.000 0.000 0.310 78 S C -0.669 173.924 174.600 -0.012 0.000 1.096 78 S CA -0.562 57.631 58.200 -0.012 0.000 1.095 78 S CB 1.185 64.379 63.200 -0.010 0.000 1.007 78 S HN 0.465 nan 8.310 nan 0.000 0.474 79 L N 4.738 125.954 121.223 -0.011 0.000 2.518 79 L HA 0.370 4.710 4.340 -0.000 0.000 0.262 79 L C -0.199 176.667 176.870 -0.007 0.000 0.982 79 L CA -0.953 53.881 54.840 -0.009 0.000 0.873 79 L CB 1.244 43.297 42.059 -0.010 0.000 1.198 79 L HN 0.636 nan 8.230 nan 0.000 0.427 80 N N 2.430 121.127 118.700 -0.006 0.000 2.353 80 N HA -0.094 4.646 4.740 -0.000 0.000 0.248 80 N C 0.717 176.225 175.510 -0.004 0.000 1.240 80 N CA -0.034 53.013 53.050 -0.005 0.000 0.862 80 N CB 1.221 39.705 38.487 -0.004 0.000 1.086 80 N HN 0.596 nan 8.380 nan 0.000 0.453 81 E N 1.076 121.274 120.200 -0.003 0.000 2.335 81 E HA -0.268 4.082 4.350 -0.000 0.000 0.236 81 E C 1.525 178.126 176.600 0.000 0.000 1.103 81 E CA 1.857 58.256 56.400 -0.002 0.000 1.010 81 E CB -0.297 29.402 29.700 -0.001 0.000 0.859 81 E HN 0.580 nan 8.360 nan 0.000 0.473 82 V N 1.429 121.343 119.914 -0.000 0.000 2.229 82 V HA -0.221 3.899 4.120 -0.000 0.000 0.243 82 V C 2.292 178.387 176.094 0.002 0.000 1.042 82 V CA 2.032 64.333 62.300 0.001 0.000 1.000 82 V CB -0.476 31.347 31.823 0.000 0.000 0.637 82 V HN 0.204 nan 8.190 nan 0.000 0.446 83 E N 0.186 120.386 120.200 -0.000 0.000 2.219 83 E HA -0.275 4.075 4.350 -0.000 0.000 0.198 83 E C 2.038 178.639 176.600 0.001 0.000 0.998 83 E CA 1.544 57.944 56.400 -0.000 0.000 0.818 83 E CB -0.257 29.441 29.700 -0.003 0.000 0.741 83 E HN 0.641 nan 8.360 nan 0.000 0.477 84 K N 0.715 121.116 120.400 0.000 0.000 2.020 84 K HA -0.056 4.264 4.320 -0.000 0.000 0.206 84 K C 1.982 178.586 176.600 0.007 0.000 1.038 84 K CA 0.607 56.895 56.287 0.000 0.000 0.947 84 K CB -0.138 32.359 32.500 -0.004 0.000 0.744 84 K HN -0.087 nan 8.250 nan 0.000 0.442 85 N N 1.526 120.231 118.700 0.008 0.000 2.247 85 N HA -0.243 4.497 4.740 -0.000 0.000 0.189 85 N C 1.570 177.093 175.510 0.022 0.000 1.009 85 N CA 1.421 54.480 53.050 0.015 0.000 0.872 85 N CB 0.039 38.533 38.487 0.011 0.000 0.980 85 N HN 0.406 nan 8.380 nan 0.000 0.436 86 E N 0.024 120.234 120.200 0.017 0.000 2.152 86 E HA -0.067 4.283 4.350 -0.000 0.000 0.192 86 E C 2.110 178.728 176.600 0.030 0.000 0.983 86 E CA 0.516 56.927 56.400 0.019 0.000 0.818 86 E CB 0.085 29.793 29.700 0.012 0.000 0.758 86 E HN 0.428 nan 8.360 nan 0.000 0.467 87 I N 0.386 120.974 120.570 0.030 0.000 2.315 87 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 87 I C 2.020 178.182 176.117 0.075 0.000 1.117 87 I CA 0.444 61.769 61.300 0.042 0.000 1.404 87 I CB -0.140 37.875 38.000 0.024 0.000 1.071 87 I HN 0.143 nan 8.210 nan 0.000 0.419 88 I N 1.084 121.694 120.570 0.067 0.000 2.142 88 I HA -0.314 3.856 4.170 -0.000 0.000 0.240 88 I C 2.873 179.078 176.117 0.145 0.000 1.078 88 I CA 2.000 63.366 61.300 0.110 0.000 1.343 88 I CB -0.668 37.375 38.000 0.072 0.000 1.046 88 I HN 0.282 nan 8.210 nan 0.000 0.405 89 S N 0.170 115.919 115.700 0.081 0.000 2.365 89 S HA -0.303 4.167 4.470 -0.000 0.000 0.225 89 S C 2.137 176.767 174.600 0.050 0.000 1.039 89 S CA 1.359 59.592 58.200 0.055 0.000 1.033 89 S CB -0.560 62.658 63.200 0.029 0.000 0.887 89 S HN 0.203 nan 8.310 nan 0.000 0.447 90 K N 0.946 121.382 120.400 0.061 0.000 2.034 90 K HA -0.157 4.163 4.320 -0.000 0.000 0.214 90 K C 1.936 178.577 176.600 0.068 0.000 1.051 90 K CA 1.953 58.272 56.287 0.054 0.000 0.931 90 K CB -1.108 31.429 32.500 0.062 0.000 0.715 90 K HN 0.631 nan 8.250 nan 0.000 0.446 91 Y N 1.383 121.685 120.300 0.005 0.000 2.165 91 Y HA -0.223 4.327 4.550 -0.000 0.000 0.286 91 Y C 1.665 177.568 175.900 0.005 0.000 1.155 91 Y CA 1.764 59.868 58.100 0.007 0.000 1.164 91 Y CB -0.103 38.363 38.460 0.010 0.000 0.978 91 Y HN 0.025 nan 8.280 nan 0.000 0.513 92 R N 0.481 120.900 120.500 -0.135 0.000 2.120 92 R HA -0.177 4.163 4.340 -0.000 0.000 0.234 92 R C 2.042 178.220 176.300 -0.203 0.000 1.123 92 R CA 1.809 57.778 56.100 -0.219 0.000 0.975 92 R CB -0.560 29.720 30.300 -0.033 0.000 0.866 92 R HN 0.716 nan 8.270 nan 0.000 0.446 93 E N 0.686 120.811 120.200 -0.125 0.000 2.276 93 E HA -0.016 4.334 4.350 -0.000 0.000 0.193 93 E C 1.885 178.423 176.600 -0.104 0.000 0.983 93 E CA 0.179 56.522 56.400 -0.095 0.000 0.861 93 E CB -0.222 29.449 29.700 -0.049 0.000 0.817 93 E HN 0.277 nan 8.360 nan 0.000 0.485 94 I N 2.434 122.937 120.570 -0.112 0.000 3.176 94 I HA -0.063 4.107 4.170 -0.000 0.000 0.275 94 I C 0.746 176.785 176.117 -0.129 0.000 1.298 94 I CA 1.447 62.698 61.300 -0.082 0.000 1.445 94 I CB 0.188 38.174 38.000 -0.023 0.000 1.075 94 I HN 0.239 nan 8.210 nan 0.000 0.482 95 T N -3.749 110.663 114.554 -0.237 0.000 3.399 95 T HA 0.412 4.762 4.350 -0.000 0.000 0.305 95 T C 1.039 175.617 174.700 -0.203 0.000 0.983 95 T CA 0.177 62.129 62.100 -0.247 0.000 0.967 95 T CB 0.472 69.074 68.868 -0.444 0.000 1.186 95 T HN 0.110 nan 8.240 nan 0.000 0.504 96 A N 1.388 124.115 122.820 -0.155 0.000 2.072 96 A HA 0.280 4.600 4.320 -0.000 0.000 0.216 96 A C 1.250 178.788 177.584 -0.076 0.000 1.156 96 A CA 0.220 52.190 52.037 -0.111 0.000 0.701 96 A CB -0.268 18.678 19.000 -0.089 0.000 0.816 96 A HN 0.553 nan 8.150 nan 0.000 0.458 97 K N 0.760 121.120 120.400 -0.067 0.000 2.494 97 K HA 0.072 4.392 4.320 -0.000 0.000 0.273 97 K C -0.605 175.967 176.600 -0.048 0.000 0.970 97 K CA 0.622 56.881 56.287 -0.048 0.000 0.963 97 K CB 0.187 32.665 32.500 -0.036 0.000 0.913 97 K HN 0.212 nan 8.250 nan 0.000 0.502 98 K N 1.869 122.245 120.400 -0.040 0.000 2.463 98 K HA 0.172 4.492 4.320 -0.000 0.000 0.255 98 K C -1.052 175.525 176.600 -0.039 0.000 0.942 98 K CA -0.602 55.661 56.287 -0.040 0.000 0.814 98 K CB 1.921 34.398 32.500 -0.037 0.000 1.122 98 K HN 0.546 nan 8.250 nan 0.000 0.425 99 S N 3.046 118.721 115.700 -0.043 0.000 2.596 99 S HA -0.094 4.376 4.470 -0.000 0.000 0.298 99 S C 0.164 174.739 174.600 -0.040 0.000 1.255 99 S CA 0.111 58.285 58.200 -0.044 0.000 1.083 99 S CB -0.194 62.977 63.200 -0.049 0.000 0.837 99 S HN 0.545 nan 8.310 nan 0.000 0.499 100 E N 4.353 124.532 120.200 -0.036 0.000 2.392 100 E HA 0.161 4.511 4.350 -0.000 0.000 0.264 100 E C 0.076 176.655 176.600 -0.036 0.000 1.024 100 E CA -0.616 55.765 56.400 -0.032 0.000 0.903 100 E CB 0.644 30.329 29.700 -0.026 0.000 0.963 100 E HN 0.457 nan 8.360 nan 0.000 0.432 101 R N 1.079 121.557 120.500 -0.037 0.000 2.919 101 R HA 0.311 4.651 4.340 -0.000 0.000 0.284 101 R C -0.325 175.954 176.300 -0.035 0.000 1.104 101 R CA 0.268 56.343 56.100 -0.042 0.000 1.207 101 R CB 0.225 30.502 30.300 -0.039 0.000 1.162 101 R HN 0.693 nan 8.270 nan 0.000 0.561 102 A N 0.986 123.785 122.820 -0.036 0.000 2.356 102 A HA 0.325 4.645 4.320 -0.000 0.000 0.310 102 A C -1.016 176.552 177.584 -0.028 0.000 1.075 102 A CA -0.768 51.252 52.037 -0.027 0.000 0.746 102 A CB 1.306 20.294 19.000 -0.020 0.000 1.221 102 A HN 0.578 nan 8.150 nan 0.000 0.443 103 E N 1.312 121.497 120.200 -0.025 0.000 2.529 103 E HA 0.195 4.545 4.350 -0.000 0.000 0.259 103 E C -0.224 176.354 176.600 -0.036 0.000 0.966 103 E CA 0.438 56.822 56.400 -0.026 0.000 0.937 103 E CB 0.163 29.853 29.700 -0.017 0.000 0.923 103 E HN 0.414 nan 8.360 nan 0.000 0.468 104 L N 3.417 124.615 121.223 -0.042 0.000 2.357 104 L HA 0.429 4.769 4.340 -0.000 0.000 0.273 104 L C 0.523 177.353 176.870 -0.067 0.000 1.080 104 L CA -0.188 54.615 54.840 -0.061 0.000 0.803 104 L CB 0.733 42.756 42.059 -0.060 0.000 1.174 104 L HN 0.610 nan 8.230 nan 0.000 0.443 105 K N 0.311 120.651 120.400 -0.100 0.000 2.433 105 K HA 0.432 4.752 4.320 -0.000 0.000 0.252 105 K C -0.603 175.923 176.600 -0.124 0.000 1.015 105 K CA -0.909 55.323 56.287 -0.091 0.000 0.860 105 K CB 1.469 33.926 32.500 -0.071 0.000 1.359 105 K HN 0.370 nan 8.250 nan 0.000 0.452 106 E N 1.340 121.487 120.200 -0.088 0.000 3.471 106 E HA -0.148 4.202 4.350 -0.000 0.000 0.240 106 E C -0.002 176.511 176.600 -0.146 0.000 0.916 106 E CA 0.240 56.588 56.400 -0.086 0.000 0.943 106 E CB 0.120 29.792 29.700 -0.047 0.000 0.889 106 E HN 0.363 nan 8.360 nan 0.000 0.575 107 V N 4.258 124.092 119.914 -0.133 0.000 2.539 107 V HA -0.116 4.004 4.120 -0.000 0.000 0.300 107 V C 0.422 176.435 176.094 -0.136 0.000 1.019 107 V CA 1.185 63.389 62.300 -0.161 0.000 1.160 107 V CB 0.430 32.193 31.823 -0.101 0.000 0.901 107 V HN 0.765 nan 8.190 nan 0.000 0.481 108 E N 7.128 127.210 120.200 -0.198 0.000 3.626 108 E HA 0.383 4.733 4.350 -0.000 0.000 0.245 108 E C -2.428 174.220 176.600 0.080 0.000 1.236 108 E CA -1.309 55.060 56.400 -0.053 0.000 1.072 108 E CB 1.055 30.744 29.700 -0.017 0.000 1.309 108 E HN 0.668 nan 8.360 nan 0.000 0.400 109 P HA -0.048 nan 4.420 nan 0.000 0.287 109 P C 0.127 177.520 177.300 0.156 0.000 1.282 109 P CA -0.142 63.031 63.100 0.122 0.000 0.804 109 P CB 0.398 32.114 31.700 0.027 0.000 1.323 110 I N 0.143 120.728 120.570 0.024 0.000 3.461 110 I HA -0.201 3.969 4.170 -0.000 0.000 0.351 110 I C -1.745 174.390 176.117 0.030 0.000 1.167 110 I CA -0.310 60.941 61.300 -0.083 0.000 1.677 110 I CB -0.914 36.948 38.000 -0.229 0.000 1.231 110 I HN 0.239 nan 8.210 nan 0.000 0.443 111 P HA -0.063 nan 4.420 nan 0.000 0.264 111 P C 0.629 178.037 177.300 0.180 0.000 1.179 111 P CA 0.177 63.398 63.100 0.202 0.000 0.763 111 P CB 0.473 32.365 31.700 0.321 0.000 0.806 112 L N 1.589 122.907 121.223 0.159 0.000 2.552 112 L HA -0.038 4.302 4.340 -0.000 0.000 0.227 112 L C 0.799 177.732 176.870 0.105 0.000 1.146 112 L CA 0.963 55.871 54.840 0.114 0.000 0.858 112 L CB -0.676 41.437 42.059 0.090 0.000 0.969 112 L HN 0.410 nan 8.230 nan 0.000 0.451 113 D N -2.452 118.031 120.400 0.139 0.000 2.491 113 D HA -0.076 4.564 4.640 -0.000 0.000 0.228 113 D C 0.096 176.407 176.300 0.018 0.000 1.183 113 D CA -0.371 53.679 54.000 0.084 0.000 0.827 113 D CB -0.069 40.777 40.800 0.077 0.000 0.989 113 D HN 0.121 nan 8.370 nan 0.000 0.494 114 W N 2.636 123.823 121.300 -0.189 0.000 2.335 114 W HA 0.314 4.974 4.660 -0.000 0.000 0.306 114 W C -2.416 173.800 176.519 -0.504 0.000 1.216 114 W CA -2.566 54.514 57.345 -0.442 0.000 1.237 114 W CB 0.842 30.128 29.460 -0.290 0.000 1.243 114 W HN -0.101 nan 8.180 nan 0.000 0.493 115 P HA -0.144 nan 4.420 nan 0.000 0.255 115 P C 0.824 177.827 177.300 -0.495 0.000 1.151 115 P CA 1.005 63.521 63.100 -0.972 0.000 0.767 115 P CB 0.506 31.096 31.700 -1.849 0.000 0.736 116 S N 1.995 117.577 115.700 -0.196 0.000 2.407 116 S HA -0.190 4.279 4.470 -0.000 0.000 0.235 116 S C 1.025 175.602 174.600 -0.039 0.000 1.036 116 S CA 1.871 60.040 58.200 -0.051 0.000 1.013 116 S CB -0.503 62.691 63.200 -0.010 0.000 0.820 116 S HN 0.689 nan 8.310 nan 0.000 0.476 117 D N 0.299 120.656 120.400 -0.072 0.000 2.892 117 D HA 0.172 4.812 4.640 -0.000 0.000 0.291 117 D C -0.313 175.950 176.300 -0.063 0.000 1.341 117 D CA -0.260 53.735 54.000 -0.009 0.000 0.844 117 D CB -0.185 40.658 40.800 0.071 0.000 1.093 117 D HN 0.176 nan 8.370 nan 0.000 0.480 118 L N 1.235 122.316 121.223 -0.237 0.000 2.366 118 L HA 0.417 4.757 4.340 -0.000 0.000 0.266 118 L C -1.187 175.694 176.870 0.017 0.000 1.010 118 L CA 0.026 54.682 54.840 -0.305 0.000 0.879 118 L CB 1.157 42.615 42.059 -1.002 0.000 1.228 118 L HN -0.117 nan 8.230 nan 0.000 0.439 119 T N 5.191 119.793 114.554 0.078 0.000 2.767 119 T HA 0.383 4.733 4.350 -0.000 0.000 0.288 119 T C 0.008 174.796 174.700 0.147 0.000 0.963 119 T CA -0.425 61.757 62.100 0.137 0.000 1.019 119 T CB 1.559 70.480 68.868 0.089 0.000 0.923 119 T HN 0.301 nan 8.240 nan 0.000 0.468 120 L N 5.814 127.149 121.223 0.188 0.000 2.380 120 L HA 0.348 4.688 4.340 -0.000 0.000 0.273 120 L C -2.029 174.915 176.870 0.124 0.000 1.138 120 L CA -2.260 52.682 54.840 0.170 0.000 0.832 120 L CB 0.133 42.294 42.059 0.171 0.000 1.124 120 L HN 0.409 nan 8.230 nan 0.000 0.454 121 P HA 0.073 nan 4.420 nan 0.000 0.260 121 P C -2.325 175.088 177.300 0.189 0.000 1.207 121 P CA -0.631 62.555 63.100 0.143 0.000 0.780 121 P CB -0.180 31.598 31.700 0.132 0.000 0.789 122 P HA -0.052 nan 4.420 nan 0.000 0.266 122 P C -0.019 177.377 177.300 0.160 0.000 1.186 122 P CA 0.438 63.621 63.100 0.138 0.000 0.767 122 P CB 0.402 32.172 31.700 0.118 0.000 0.820 123 L N 3.926 125.116 121.223 -0.055 0.000 2.475 123 L HA 0.355 4.695 4.340 -0.000 0.000 0.253 123 L C -1.704 174.685 176.870 -0.801 0.000 1.198 123 L CA -1.985 52.625 54.840 -0.383 0.000 0.814 123 L CB -0.113 41.803 42.059 -0.238 0.000 1.134 123 L HN 0.308 nan 8.230 nan 0.000 0.478 124 P HA 0.053 nan 4.420 nan 0.000 0.275 124 P C -0.524 176.564 177.300 -0.353 0.000 1.228 124 P CA -0.247 62.267 63.100 -0.977 0.000 0.786 124 P CB 0.713 31.824 31.700 -0.980 0.000 0.927 125 E N -0.104 120.009 120.200 -0.145 0.000 2.526 125 E HA 0.068 4.418 4.350 -0.000 0.000 0.198 125 E C 0.410 176.995 176.600 -0.025 0.000 1.091 125 E CA 0.335 56.698 56.400 -0.062 0.000 0.880 125 E CB 0.147 29.834 29.700 -0.022 0.000 0.873 125 E HN 0.380 nan 8.360 nan 0.000 0.527 126 S N -1.989 113.694 115.700 -0.027 0.000 2.680 126 S HA -0.004 4.466 4.470 -0.000 0.000 0.284 126 S C 0.782 175.419 174.600 0.061 0.000 1.055 126 S CA -0.135 58.088 58.200 0.039 0.000 0.849 126 S CB 0.641 63.882 63.200 0.069 0.000 1.068 126 S HN 0.126 nan 8.310 nan 0.000 0.453 127 T N 0.957 115.573 114.554 0.104 0.000 2.897 127 T HA -0.082 4.268 4.350 -0.000 0.000 0.271 127 T C 1.008 175.749 174.700 0.069 0.000 1.084 127 T CA 1.950 64.108 62.100 0.098 0.000 1.123 127 T CB -0.580 68.409 68.868 0.202 0.000 0.865 127 T HN 0.503 nan 8.240 nan 0.000 0.496 128 N N 1.225 120.026 118.700 0.169 0.000 2.238 128 N HA 0.072 4.812 4.740 -0.000 0.000 0.222 128 N C -0.507 175.270 175.510 0.444 0.000 1.133 128 N CA -0.332 52.856 53.050 0.230 0.000 0.854 128 N CB -0.194 38.482 38.487 0.315 0.000 1.041 128 N HN 0.225 nan 8.380 nan 0.000 0.510 129 D N 0.532 121.157 120.400 0.376 0.000 2.429 129 D HA -0.107 4.533 4.640 -0.000 0.000 0.253 129 D C 0.920 177.459 176.300 0.399 0.000 1.294 129 D CA -0.196 53.955 54.000 0.252 0.000 1.063 129 D CB -0.235 40.669 40.800 0.174 0.000 1.096 129 D HN 0.415 nan 8.370 nan 0.000 0.516 130 Y N 1.242 121.767 120.300 0.374 0.000 2.333 130 Y HA -0.092 4.458 4.550 0.000 0.000 0.290 130 Y C 1.843 177.729 175.900 -0.023 0.000 1.144 130 Y CA 0.161 58.286 58.100 0.041 0.000 1.228 130 Y CB -0.728 37.771 38.460 0.066 0.000 0.985 130 Y HN 0.140 nan 8.280 nan 0.000 0.542 131 V N -0.061 119.793 119.914 -0.100 0.000 2.358 131 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 131 V C 2.250 178.365 176.094 0.035 0.000 1.047 131 V CA 1.790 64.081 62.300 -0.015 0.000 1.035 131 V CB -0.915 30.862 31.823 -0.078 0.000 0.658 131 V HN 0.729 nan 8.190 nan 0.000 0.452 132 W N 1.224 122.481 121.300 -0.072 0.000 2.388 132 W HA -0.107 4.553 4.660 -0.000 0.000 0.294 132 W C 2.351 178.842 176.519 -0.047 0.000 1.212 132 W CA 1.734 59.060 57.345 -0.032 0.000 1.271 132 W CB -0.255 29.211 29.460 0.010 0.000 1.126 132 W HN 0.173 nan 8.180 nan 0.000 0.535 133 A N 0.761 123.511 122.820 -0.117 0.000 1.898 133 A HA -0.015 4.305 4.320 -0.000 0.000 0.216 133 A C 2.239 179.559 177.584 -0.440 0.000 1.181 133 A CA 1.855 53.614 52.037 -0.464 0.000 0.620 133 A CB -1.655 16.931 19.000 -0.691 0.000 0.819 133 A HN 0.428 nan 8.150 nan 0.000 0.442 134 G N -0.299 108.334 108.800 -0.277 0.000 2.422 134 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.218 134 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.218 134 G C 1.626 176.400 174.900 -0.210 0.000 1.140 134 G CA 1.058 46.039 45.100 -0.199 0.000 0.775 134 G HN 0.584 nan 8.290 nan 0.000 0.545 135 K N 0.328 120.579 120.400 -0.248 0.000 2.032 135 K HA -0.040 4.280 4.320 -0.000 0.000 0.209 135 K C 1.332 177.774 176.600 -0.262 0.000 1.048 135 K CA 0.568 56.719 56.287 -0.227 0.000 0.927 135 K CB -0.083 32.282 32.500 -0.225 0.000 0.712 135 K HN 0.198 nan 8.250 nan 0.000 0.441 136 R N 1.353 121.613 120.500 -0.400 0.000 2.863 136 R HA 0.017 4.356 4.340 -0.000 0.000 0.273 136 R C -0.128 176.036 176.300 -0.228 0.000 1.057 136 R CA 0.410 56.309 56.100 -0.334 0.000 1.191 136 R CB 0.243 30.272 30.300 -0.451 0.000 1.104 136 R HN 0.092 nan 8.270 nan 0.000 0.519 137 K N -1.121 119.173 120.400 -0.175 0.000 2.719 137 K HA 0.466 4.786 4.320 -0.000 0.000 0.281 137 K C -1.418 175.116 176.600 -0.110 0.000 0.991 137 K CA -0.976 55.231 56.287 -0.133 0.000 0.760 137 K CB 0.506 32.940 32.500 -0.110 0.000 1.438 137 K HN 0.457 nan 8.250 nan 0.000 0.350 148 I N 4.955 125.572 120.570 0.079 0.000 2.502 148 I HA 0.347 4.517 4.170 -0.000 0.000 0.276 148 I C 0.038 176.261 176.117 0.177 0.000 1.057 148 I CA -0.421 60.937 61.300 0.095 0.000 1.163 148 I CB 1.725 39.762 38.000 0.063 0.000 1.288 148 I HN 0.491 nan 8.210 nan 0.000 0.479 149 I N 5.730 126.416 120.570 0.193 0.000 2.243 149 I HA 0.115 4.285 4.170 -0.000 0.000 0.297 149 I C 1.130 177.361 176.117 0.190 0.000 1.161 149 I CA -0.111 61.344 61.300 0.260 0.000 1.298 149 I CB -0.238 37.866 38.000 0.174 0.000 1.475 149 I HN 0.420 nan 8.210 nan 0.000 0.561 150 D N 3.537 124.042 120.400 0.175 0.000 2.162 150 D HA 0.216 4.856 4.640 -0.000 0.000 0.205 150 D C 0.965 177.067 176.300 -0.329 0.000 0.964 150 D CA 0.738 54.757 54.000 0.031 0.000 0.847 150 D CB 0.376 41.291 40.800 0.193 0.000 0.988 150 D HN 0.532 nan 8.370 nan 0.000 0.480 151 G N -0.915 107.610 108.800 -0.459 0.000 2.324 151 G HA2 0.336 4.296 3.960 -0.000 0.000 0.293 151 G HA3 0.336 4.296 3.960 -0.000 0.000 0.293 151 G C -2.282 172.398 174.900 -0.367 0.000 1.297 151 G CA -0.648 44.037 45.100 -0.692 0.000 0.853 151 G HN 0.204 nan 8.290 nan 0.000 0.535 152 L N 1.356 122.527 121.223 -0.086 0.000 2.305 152 L HA 0.719 5.059 4.340 -0.000 0.000 0.284 152 L C -0.129 176.957 176.870 0.360 0.000 1.013 152 L CA -0.529 54.398 54.840 0.145 0.000 0.819 152 L CB 1.279 43.376 42.059 0.064 0.000 1.227 152 L HN 0.486 nan 8.230 nan 0.000 0.417 153 S N 6.674 122.575 115.700 0.335 0.000 2.411 153 S HA 0.495 4.965 4.470 -0.000 0.000 0.294 153 S C 0.095 174.795 174.600 0.167 0.000 1.115 153 S CA -0.364 57.998 58.200 0.271 0.000 1.071 153 S CB 0.246 63.553 63.200 0.179 0.000 0.967 153 S HN 0.449 nan 8.310 nan 0.000 0.488 154 I N 3.822 124.516 120.570 0.206 0.000 2.291 154 I HA 0.273 4.443 4.170 -0.000 0.000 0.290 154 I C -0.339 175.843 176.117 0.110 0.000 1.050 154 I CA -0.637 60.779 61.300 0.194 0.000 1.245 154 I CB 0.888 39.059 38.000 0.284 0.000 1.405 154 I HN 0.210 nan 8.210 nan 0.000 0.478 155 V N 7.829 127.785 119.914 0.070 0.000 2.465 155 V HA 0.371 4.491 4.120 -0.000 0.000 0.279 155 V C 0.248 176.346 176.094 0.007 0.000 1.045 155 V CA -0.307 62.010 62.300 0.029 0.000 0.938 155 V CB 1.635 33.467 31.823 0.014 0.000 0.986 155 V HN 0.498 nan 8.190 nan 0.000 0.467 156 I N 6.551 127.111 120.570 -0.016 0.000 2.502 156 I HA 0.323 4.493 4.170 -0.000 0.000 0.276 156 I C -2.580 173.507 176.117 -0.050 0.000 1.057 156 I CA -1.933 59.340 61.300 -0.044 0.000 1.163 156 I CB 1.781 39.743 38.000 -0.063 0.000 1.288 156 I HN 0.404 nan 8.210 nan 0.000 0.479 157 P HA 0.050 nan 4.420 nan 0.000 0.264 157 P C -0.594 176.678 177.300 -0.047 0.000 1.193 157 P CA 0.517 63.573 63.100 -0.074 0.000 0.763 157 P CB 0.557 32.191 31.700 -0.111 0.000 0.810 158 T N 3.467 118.014 114.554 -0.012 0.000 2.886 158 T HA 0.474 4.823 4.350 -0.000 0.000 0.292 158 T C -1.589 173.178 174.700 0.112 0.000 1.012 158 T CA -0.234 61.883 62.100 0.027 0.000 0.982 158 T CB 0.847 69.733 68.868 0.030 0.000 1.018 158 T HN 0.159 nan 8.240 nan 0.000 0.451 159 Y N 3.069 123.329 120.300 -0.067 0.000 2.298 159 Y HA 0.267 4.816 4.550 -0.001 0.000 0.322 159 Y C 0.311 176.188 175.900 -0.040 0.000 1.138 159 Y CA -1.151 56.908 58.100 -0.069 0.000 1.127 159 Y CB 0.633 39.013 38.460 -0.134 0.000 1.178 159 Y HN 0.767 nan 8.280 nan 0.000 0.428 160 N N 4.111 122.582 118.700 -0.382 0.000 2.686 160 N HA -0.261 4.479 4.740 -0.000 0.000 0.249 160 N C -0.442 174.991 175.510 -0.128 0.000 1.082 160 N CA 1.290 54.154 53.050 -0.310 0.000 0.725 160 N CB -0.493 37.707 38.487 -0.478 0.000 1.009 160 N HN 0.727 nan 8.380 nan 0.000 0.545 161 R N -0.446 120.017 120.500 -0.061 0.000 2.886 161 R HA 0.370 4.710 4.340 -0.000 0.000 0.306 161 R C 1.335 177.630 176.300 -0.009 0.000 1.300 161 R CA 0.275 56.364 56.100 -0.019 0.000 1.441 161 R CB 0.438 30.743 30.300 0.007 0.000 1.328 161 R HN 0.196 nan 8.270 nan 0.000 0.629 162 A N 1.808 124.622 122.820 -0.011 0.000 1.881 162 A HA -0.305 4.015 4.320 -0.000 0.000 0.219 162 A C 1.820 179.426 177.584 0.037 0.000 1.215 162 A CA 1.630 53.669 52.037 0.004 0.000 0.648 162 A CB -0.132 18.873 19.000 0.008 0.000 0.832 162 A HN 0.415 nan 8.150 nan 0.000 0.455 163 K N -0.704 119.737 120.400 0.069 0.000 2.009 163 K HA -0.121 4.199 4.320 -0.000 0.000 0.210 163 K C 1.953 178.617 176.600 0.108 0.000 1.049 163 K CA 1.713 58.077 56.287 0.128 0.000 0.929 163 K CB -0.488 32.089 32.500 0.128 0.000 0.714 163 K HN 0.577 nan 8.250 nan 0.000 0.440 164 I N 1.105 121.712 120.570 0.061 0.000 2.163 164 I HA -0.288 3.882 4.170 -0.000 0.000 0.243 164 I C 2.453 178.552 176.117 -0.030 0.000 1.085 164 I CA 0.740 62.056 61.300 0.026 0.000 1.347 164 I CB -0.299 37.718 38.000 0.027 0.000 1.044 164 I HN 0.122 nan 8.210 nan 0.000 0.408 165 L N 1.377 122.576 121.223 -0.040 0.000 2.012 165 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 165 L C 2.615 179.391 176.870 -0.158 0.000 1.073 165 L CA 2.207 56.986 54.840 -0.102 0.000 0.748 165 L CB -0.986 41.022 42.059 -0.085 0.000 0.891 165 L HN 0.214 nan 8.230 nan 0.000 0.431 166 A N -0.013 122.764 122.820 -0.072 0.000 1.884 166 A HA -0.284 4.036 4.320 -0.000 0.000 0.219 166 A C 2.312 179.901 177.584 0.008 0.000 1.197 166 A CA 2.605 54.618 52.037 -0.039 0.000 0.637 166 A CB -1.117 17.980 19.000 0.162 0.000 0.827 166 A HN 0.564 nan 8.150 nan 0.000 0.450 167 I N -0.810 119.793 120.570 0.055 0.000 2.226 167 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 167 I C 2.635 178.605 176.117 -0.244 0.000 1.100 167 I CA 1.764 63.020 61.300 -0.072 0.000 1.374 167 I CB -0.647 37.221 38.000 -0.220 0.000 1.057 167 I HN 0.295 nan 8.210 nan 0.000 0.413 168 T N 1.352 115.758 114.554 -0.248 0.000 2.674 168 T HA -0.141 4.209 4.350 -0.000 0.000 0.265 168 T C 1.960 176.480 174.700 -0.299 0.000 1.039 168 T CA 1.306 63.238 62.100 -0.280 0.000 1.150 168 T CB -0.369 68.345 68.868 -0.258 0.000 0.864 168 T HN 0.234 nan 8.240 nan 0.000 0.427 169 L N 0.754 121.726 121.223 -0.417 0.000 2.081 169 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 169 L C 3.010 179.663 176.870 -0.361 0.000 1.080 169 L CA 1.328 55.808 54.840 -0.600 0.000 0.754 169 L CB -0.696 40.537 42.059 -1.376 0.000 0.893 169 L HN 0.260 nan 8.230 nan 0.000 0.433 170 A N -0.954 121.781 122.820 -0.141 0.000 1.902 170 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 170 A C 2.315 179.961 177.584 0.104 0.000 1.181 170 A CA 1.770 53.944 52.037 0.229 0.000 0.623 170 A CB -1.144 18.104 19.000 0.414 0.000 0.818 170 A HN 0.549 nan 8.150 nan 0.000 0.443 171 C N -0.775 118.505 119.300 -0.033 0.000 2.437 171 C HA 0.074 4.534 4.460 -0.000 0.000 0.283 171 C C 2.397 177.362 174.990 -0.042 0.000 1.424 171 C CA 0.676 59.663 59.018 -0.052 0.000 1.782 171 C CB -1.540 26.101 27.740 -0.165 0.000 1.833 171 C HN 0.595 nan 8.230 nan 0.000 0.532 172 L N -1.000 120.193 121.223 -0.050 0.000 2.375 172 L HA -0.028 4.312 4.340 -0.000 0.000 0.215 172 L C 2.336 179.296 176.870 0.151 0.000 1.108 172 L CA 0.663 55.511 54.840 0.014 0.000 0.830 172 L CB -0.276 41.779 42.059 -0.007 0.000 0.959 172 L HN 0.398 nan 8.230 nan 0.000 0.457 173 C N -0.051 119.336 119.300 0.145 0.000 2.450 173 C HA -0.098 4.362 4.460 -0.000 0.000 0.279 173 C C 1.752 176.847 174.990 0.175 0.000 1.335 173 C CA 0.577 59.712 59.018 0.195 0.000 1.749 173 C CB -1.251 26.622 27.740 0.221 0.000 1.963 173 C HN 0.533 nan 8.230 nan 0.000 0.501 174 N N 0.642 119.425 118.700 0.138 0.000 2.389 174 N HA 0.034 4.774 4.740 -0.000 0.000 0.237 174 N C -0.332 175.234 175.510 0.093 0.000 1.148 174 N CA -0.146 52.973 53.050 0.114 0.000 0.854 174 N CB 0.099 38.651 38.487 0.108 0.000 1.115 174 N HN 0.532 nan 8.380 nan 0.000 0.492 175 Q N 1.143 121.004 119.800 0.102 0.000 2.279 175 Q HA 0.190 4.530 4.340 -0.000 0.000 0.256 175 Q C -0.244 175.790 176.000 0.057 0.000 0.937 175 Q CA 0.247 56.079 55.803 0.048 0.000 0.933 175 Q CB 1.416 30.119 28.738 -0.058 0.000 1.189 175 Q HN 0.159 nan 8.270 nan 0.000 0.417 176 K N 1.927 122.351 120.400 0.040 0.000 2.266 176 K HA 0.339 4.659 4.320 -0.000 0.000 0.274 176 K C -0.217 176.401 176.600 0.029 0.000 1.090 176 K CA -0.052 56.260 56.287 0.042 0.000 0.925 176 K CB 0.906 33.428 32.500 0.037 0.000 1.225 176 K HN 0.506 nan 8.250 nan 0.000 0.458 177 T N 0.797 115.376 114.554 0.042 0.000 2.802 177 T HA 0.328 4.678 4.350 -0.000 0.000 0.311 177 T C 0.454 175.181 174.700 0.046 0.000 1.405 177 T CA -0.826 61.301 62.100 0.045 0.000 1.016 177 T CB 0.854 69.746 68.868 0.040 0.000 1.352 177 T HN 0.508 nan 8.240 nan 0.000 0.498 178 I N -0.645 119.915 120.570 -0.016 0.000 3.645 178 I HA 0.446 4.616 4.170 -0.000 0.000 0.300 178 I C -0.193 175.829 176.117 -0.159 0.000 1.260 178 I CA -0.368 60.858 61.300 -0.124 0.000 1.365 178 I CB -0.026 37.814 38.000 -0.267 0.000 1.077 178 I HN 0.392 nan 8.210 nan 0.000 0.439 179 Y N 2.747 123.055 120.300 0.013 0.000 2.301 179 Y HA 0.307 4.857 4.550 -0.001 0.000 0.325 179 Y C 0.323 176.287 175.900 0.107 0.000 1.203 179 Y CA -0.509 57.596 58.100 0.009 0.000 1.255 179 Y CB 0.445 38.878 38.460 -0.045 0.000 1.232 179 Y HN 0.027 nan 8.280 nan 0.000 0.501 180 D N 1.516 122.045 120.400 0.215 0.000 2.339 180 D HA 0.189 4.829 4.640 -0.000 0.000 0.245 180 D C -1.046 175.401 176.300 0.244 0.000 1.115 180 D CA 0.425 54.533 54.000 0.180 0.000 0.917 180 D CB 0.645 41.467 40.800 0.037 0.000 1.192 180 D HN 0.443 nan 8.370 nan 0.000 0.428 181 Y N -2.008 118.357 120.300 0.108 0.000 2.558 181 Y HA 0.445 4.996 4.550 0.001 0.000 0.333 181 Y C -1.075 174.990 175.900 0.275 0.000 1.125 181 Y CA -1.286 56.927 58.100 0.189 0.000 1.039 181 Y CB 0.627 39.182 38.460 0.159 0.000 1.331 181 Y HN 0.354 nan 8.280 nan 0.000 0.456 182 E N 1.750 122.159 120.200 0.347 0.000 2.244 182 E HA 0.803 5.153 4.350 -0.000 0.000 0.266 182 E C -1.725 174.982 176.600 0.178 0.000 0.914 182 E CA -1.352 55.140 56.400 0.154 0.000 0.794 182 E CB 2.878 32.648 29.700 0.117 0.000 1.210 182 E HN 0.466 nan 8.360 nan 0.000 0.414 183 V N 2.938 122.911 119.914 0.098 0.000 2.495 183 V HA 0.385 4.505 4.120 -0.000 0.000 0.298 183 V C -0.398 175.732 176.094 0.059 0.000 1.031 183 V CA -0.677 61.682 62.300 0.099 0.000 0.871 183 V CB 1.277 33.141 31.823 0.068 0.000 0.988 183 V HN 0.640 nan 8.190 nan 0.000 0.432 184 I N 4.964 125.567 120.570 0.055 0.000 2.437 184 I HA 0.323 4.493 4.170 -0.000 0.000 0.279 184 I C -0.392 175.741 176.117 0.028 0.000 1.028 184 I CA -0.666 60.658 61.300 0.040 0.000 1.142 184 I CB 1.823 39.843 38.000 0.033 0.000 1.266 184 I HN 0.273 nan 8.210 nan 0.000 0.461 185 V N 5.544 125.488 119.914 0.050 0.000 2.439 185 V HA 0.318 4.437 4.120 -0.000 0.000 0.271 185 V C 0.802 176.911 176.094 0.025 0.000 1.040 185 V CA -0.243 62.092 62.300 0.058 0.000 1.002 185 V CB 0.982 32.892 31.823 0.144 0.000 1.000 185 V HN 0.799 nan 8.190 nan 0.000 0.477 186 A N 4.098 126.909 122.820 -0.014 0.000 2.412 186 A HA 0.443 4.763 4.320 -0.000 0.000 0.334 186 A C -0.103 177.457 177.584 -0.040 0.000 1.419 186 A CA -0.525 51.475 52.037 -0.061 0.000 0.930 186 A CB 0.137 19.107 19.000 -0.050 0.000 1.149 186 A HN 0.770 nan 8.150 nan 0.000 0.515 187 D N 1.760 122.125 120.400 -0.059 0.000 2.343 187 D HA 0.155 4.795 4.640 -0.000 0.000 0.255 187 D C -0.461 175.856 176.300 0.028 0.000 1.187 187 D CA 0.160 54.180 54.000 0.033 0.000 0.875 187 D CB 1.133 42.003 40.800 0.117 0.000 1.136 187 D HN 0.470 nan 8.370 nan 0.000 0.469 188 D N 2.413 122.864 120.400 0.085 0.000 3.110 188 D HA 0.357 4.997 4.640 -0.000 0.000 0.254 188 D C 0.826 177.235 176.300 0.182 0.000 1.283 188 D CA -0.059 53.978 54.000 0.062 0.000 0.944 188 D CB -0.714 40.032 40.800 -0.089 0.000 1.066 188 D HN 0.564 nan 8.370 nan 0.000 0.496 189 G N 1.322 110.231 108.800 0.182 0.000 2.225 189 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.264 189 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.264 189 G C 0.416 175.461 174.900 0.241 0.000 1.060 189 G CA 0.233 45.459 45.100 0.210 0.000 0.833 189 G HN 0.425 nan 8.290 nan 0.000 0.498 190 S N -0.667 115.115 115.700 0.136 0.000 2.573 190 S HA 0.350 4.820 4.470 -0.000 0.000 0.277 190 S C 1.419 175.975 174.600 -0.073 0.000 1.346 190 S CA 0.518 58.645 58.200 -0.122 0.000 1.034 190 S CB 1.576 64.714 63.200 -0.104 0.000 0.879 190 S HN 0.535 nan 8.310 nan 0.000 0.528 191 K N 1.361 121.671 120.400 -0.151 0.000 2.334 191 K HA 0.137 4.457 4.320 -0.000 0.000 0.195 191 K C 0.135 176.698 176.600 -0.062 0.000 1.045 191 K CA 0.681 56.926 56.287 -0.069 0.000 1.004 191 K CB 0.111 32.571 32.500 -0.067 0.000 0.837 191 K HN 0.673 nan 8.250 nan 0.000 0.510 192 E N 1.044 121.186 120.200 -0.095 0.000 2.373 192 E HA 0.024 4.374 4.350 -0.000 0.000 0.263 192 E C -0.521 176.055 176.600 -0.041 0.000 1.073 192 E CA -0.408 55.953 56.400 -0.065 0.000 0.894 192 E CB 0.494 30.145 29.700 -0.081 0.000 1.008 192 E HN 0.102 nan 8.360 nan 0.000 0.420 193 N N 3.622 122.303 118.700 -0.033 0.000 2.508 193 N HA -0.003 4.737 4.740 -0.000 0.000 0.253 193 N C 0.528 176.001 175.510 -0.062 0.000 1.145 193 N CA -0.088 52.940 53.050 -0.038 0.000 0.973 193 N CB 0.278 38.741 38.487 -0.040 0.000 1.305 193 N HN 0.455 nan 8.380 nan 0.000 0.506 194 I N 1.916 122.453 120.570 -0.054 0.000 2.353 194 I HA -0.194 3.976 4.170 -0.000 0.000 0.248 194 I C 2.250 178.214 176.117 -0.256 0.000 1.119 194 I CA 0.824 62.080 61.300 -0.074 0.000 1.417 194 I CB -0.853 37.187 38.000 0.066 0.000 1.078 194 I HN 0.631 nan 8.210 nan 0.000 0.421 195 E N 1.569 121.467 120.200 -0.502 0.000 2.070 195 E HA -0.327 4.023 4.350 -0.000 0.000 0.197 195 E C 2.076 178.467 176.600 -0.349 0.000 1.004 195 E CA 2.063 57.995 56.400 -0.780 0.000 0.805 195 E CB -0.151 29.154 29.700 -0.658 0.000 0.744 195 E HN 0.544 nan 8.360 nan 0.000 0.451 196 E N -0.047 120.030 120.200 -0.205 0.000 2.114 196 E HA -0.227 4.123 4.350 -0.000 0.000 0.199 196 E C 2.101 178.651 176.600 -0.083 0.000 1.008 196 E CA 1.835 58.167 56.400 -0.114 0.000 0.810 196 E CB -0.075 29.580 29.700 -0.074 0.000 0.739 196 E HN 0.357 nan 8.360 nan 0.000 0.456 197 I N 0.577 121.104 120.570 -0.073 0.000 2.315 197 I HA -0.188 3.982 4.170 -0.000 0.000 0.248 197 I C 2.470 178.634 176.117 0.079 0.000 1.117 197 I CA 0.679 61.980 61.300 0.001 0.000 1.404 197 I CB -1.148 36.850 38.000 -0.003 0.000 1.071 197 I HN 0.126 nan 8.210 nan 0.000 0.419 198 V N 1.412 121.305 119.914 -0.036 0.000 2.255 198 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 198 V C 2.731 178.846 176.094 0.035 0.000 1.051 198 V CA 1.757 64.052 62.300 -0.009 0.000 1.018 198 V CB -0.750 30.988 31.823 -0.141 0.000 0.641 198 V HN 0.367 nan 8.190 nan 0.000 0.445 199 R N -0.234 120.241 120.500 -0.042 0.000 2.103 199 R HA -0.248 4.092 4.340 -0.000 0.000 0.242 199 R C 2.311 178.595 176.300 -0.027 0.000 1.142 199 R CA 1.782 57.864 56.100 -0.031 0.000 0.960 199 R CB -0.411 29.856 30.300 -0.056 0.000 0.858 199 R HN 0.474 nan 8.270 nan 0.000 0.439 200 E N 0.055 120.221 120.200 -0.057 0.000 2.171 200 E HA -0.157 4.193 4.350 -0.000 0.000 0.197 200 E C 0.894 177.312 176.600 -0.304 0.000 0.997 200 E CA 1.279 57.567 56.400 -0.187 0.000 0.810 200 E CB -0.052 29.481 29.700 -0.278 0.000 0.738 200 E HN 0.268 nan 8.360 nan 0.000 0.467 201 F N -0.362 119.529 119.950 -0.097 0.000 2.695 201 F HA 0.249 4.776 4.527 -0.001 0.000 0.303 201 F C 1.781 177.557 175.800 -0.040 0.000 1.091 201 F CA -0.062 57.896 58.000 -0.070 0.000 1.300 201 F CB 0.268 39.216 39.000 -0.087 0.000 1.071 201 F HN -0.011 nan 8.300 nan 0.000 0.578 202 E N 0.382 120.635 120.200 0.088 0.000 2.085 202 E HA -0.203 4.146 4.350 -0.000 0.000 0.194 202 E C 2.321 178.945 176.600 0.039 0.000 0.994 202 E CA 1.767 58.200 56.400 0.055 0.000 0.801 202 E CB 0.001 29.715 29.700 0.023 0.000 0.743 202 E HN 0.380 nan 8.360 nan 0.000 0.453 203 S N 0.386 116.096 115.700 0.018 0.000 2.399 203 S HA -0.126 4.344 4.470 -0.000 0.000 0.231 203 S C 1.978 176.597 174.600 0.031 0.000 1.022 203 S CA 0.740 58.948 58.200 0.013 0.000 0.983 203 S CB -0.356 62.840 63.200 -0.007 0.000 0.803 203 S HN 0.152 nan 8.310 nan 0.000 0.480 204 L N 0.042 121.299 121.223 0.057 0.000 2.062 204 L HA 0.303 4.643 4.340 -0.000 0.000 0.202 204 L C 0.985 177.905 176.870 0.084 0.000 1.079 204 L CA 0.542 55.435 54.840 0.088 0.000 0.755 204 L CB -0.592 41.556 42.059 0.148 0.000 0.913 204 L HN 0.202 nan 8.230 nan 0.000 0.445 205 L N -0.298 120.987 121.223 0.103 0.000 2.400 205 L HA 0.212 4.552 4.340 -0.000 0.000 0.264 205 L C 0.321 177.188 176.870 -0.004 0.000 1.061 205 L CA -0.199 54.663 54.840 0.036 0.000 0.799 205 L CB 0.836 42.929 42.059 0.056 0.000 1.240 205 L HN 0.100 nan 8.230 nan 0.000 0.461 206 N N 1.566 120.222 118.700 -0.074 0.000 2.868 206 N HA 0.287 5.027 4.740 -0.000 0.000 0.252 206 N C -0.959 174.539 175.510 -0.019 0.000 1.130 206 N CA -0.244 52.776 53.050 -0.050 0.000 1.026 206 N CB 0.344 38.781 38.487 -0.083 0.000 1.335 206 N HN 0.440 nan 8.380 nan 0.000 0.516 207 I N 1.835 122.413 120.570 0.013 0.000 2.460 207 I HA 0.417 4.587 4.170 -0.000 0.000 0.298 207 I C -0.852 175.293 176.117 0.047 0.000 0.989 207 I CA -0.707 60.612 61.300 0.031 0.000 1.173 207 I CB 1.112 39.137 38.000 0.041 0.000 1.338 207 I HN 0.249 nan 8.210 nan 0.000 0.456 208 K N 5.016 125.451 120.400 0.059 0.000 2.340 208 K HA 0.454 4.774 4.320 -0.000 0.000 0.244 208 K C -1.788 174.898 176.600 0.144 0.000 0.973 208 K CA -0.441 55.893 56.287 0.078 0.000 0.828 208 K CB 1.719 34.243 32.500 0.039 0.000 1.226 208 K HN 0.416 nan 8.250 nan 0.000 0.437 209 Y N 0.993 121.293 120.300 -0.001 0.000 2.361 209 Y HA 0.623 5.172 4.550 -0.001 0.000 0.337 209 Y C -1.573 174.329 175.900 0.003 0.000 0.965 209 Y CA -0.928 57.172 58.100 -0.001 0.000 1.091 209 Y CB 1.223 39.683 38.460 0.001 0.000 1.182 209 Y HN 0.271 nan 8.280 nan 0.000 0.450 210 V N 7.291 126.896 119.914 -0.516 0.000 2.709 210 V HA 0.679 4.799 4.120 -0.000 0.000 0.308 210 V C -0.965 174.769 176.094 -0.601 0.000 1.062 210 V CA -0.886 61.148 62.300 -0.444 0.000 0.901 210 V CB 2.053 33.766 31.823 -0.185 0.000 1.003 210 V HN 0.804 nan 8.190 nan 0.000 0.425 211 R N 3.979 124.204 120.500 -0.458 0.000 2.668 211 R HA 0.718 5.058 4.340 -0.000 0.000 0.272 211 R C -1.334 174.893 176.300 -0.122 0.000 1.019 211 R CA -0.634 55.288 56.100 -0.297 0.000 0.894 211 R CB 2.378 32.482 30.300 -0.327 0.000 1.228 211 R HN 0.833 nan 8.270 nan 0.000 0.460 212 Q N 1.825 121.602 119.800 -0.038 0.000 2.552 212 Q HA 0.455 4.795 4.340 -0.000 0.000 0.289 212 Q C -1.135 174.901 176.000 0.060 0.000 1.097 212 Q CA -1.295 54.514 55.803 0.010 0.000 0.812 212 Q CB 1.738 30.512 28.738 0.061 0.000 1.460 212 Q HN 0.611 nan 8.270 nan 0.000 0.452 213 K N -0.307 120.130 120.400 0.061 0.000 2.118 213 K HA 0.193 4.513 4.320 -0.000 0.000 0.240 213 K C -0.511 176.225 176.600 0.227 0.000 1.035 213 K CA -0.470 55.878 56.287 0.102 0.000 0.899 213 K CB 0.316 32.838 32.500 0.037 0.000 1.085 213 K HN 0.537 nan 8.250 nan 0.000 0.498 214 D N 1.189 121.710 120.400 0.201 0.000 2.494 214 D HA 0.053 4.693 4.640 -0.000 0.000 0.217 214 D C -1.153 175.291 176.300 0.240 0.000 1.153 214 D CA -0.465 53.662 54.000 0.212 0.000 0.954 214 D CB -0.339 40.581 40.800 0.199 0.000 1.034 214 D HN 0.582 nan 8.370 nan 0.000 0.518 215 Y N 2.103 122.406 120.300 0.005 0.000 2.631 215 Y HA 0.609 5.159 4.550 0.001 0.000 0.361 215 Y C 0.504 176.400 175.900 -0.006 0.000 0.941 215 Y CA -0.911 57.194 58.100 0.008 0.000 1.327 215 Y CB 0.098 38.566 38.460 0.012 0.000 1.299 215 Y HN 0.349 nan 8.280 nan 0.000 0.578 216 G N 0.402 109.136 108.800 -0.110 0.000 2.610 216 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.304 216 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.304 216 G C -1.356 173.361 174.900 -0.305 0.000 1.309 216 G CA -0.795 44.194 45.100 -0.184 0.000 0.906 216 G HN 0.573 nan 8.290 nan 0.000 0.521 217 Y N 1.949 122.014 120.300 -0.393 0.000 2.530 217 Y HA 0.420 4.970 4.550 0.000 0.000 0.340 217 Y C 1.130 176.810 175.900 -0.367 0.000 1.247 217 Y CA -0.068 57.790 58.100 -0.402 0.000 1.727 217 Y CB 0.273 38.515 38.460 -0.363 0.000 1.613 217 Y HN 0.311 nan 8.280 nan 0.000 0.464 218 Q N 6.271 125.858 119.800 -0.354 0.000 2.819 218 Q HA 0.060 4.400 4.340 -0.000 0.000 0.392 218 Q C 1.438 177.320 176.000 -0.197 0.000 1.088 218 Q CA -0.030 55.590 55.803 -0.304 0.000 1.062 218 Q CB 0.683 29.054 28.738 -0.611 0.000 1.369 218 Q HN 0.918 nan 8.270 nan 0.000 0.434 219 L N -0.398 120.753 121.223 -0.120 0.000 1.990 219 L HA -0.292 4.048 4.340 -0.000 0.000 0.213 219 L C 1.678 178.482 176.870 -0.109 0.000 1.072 219 L CA 1.585 56.351 54.840 -0.124 0.000 0.755 219 L CB -0.041 42.042 42.059 0.041 0.000 0.889 219 L HN 0.433 nan 8.230 nan 0.000 0.432 220 C N -0.325 118.966 119.300 -0.016 0.000 2.413 220 C HA -0.187 4.273 4.460 -0.000 0.000 0.276 220 C C 3.052 178.060 174.990 0.030 0.000 1.236 220 C CA 0.739 59.761 59.018 0.007 0.000 1.735 220 C CB -1.415 26.455 27.740 0.216 0.000 2.031 220 C HN 0.724 nan 8.230 nan 0.000 0.474 221 A N -0.496 122.353 122.820 0.048 0.000 1.978 221 A HA -0.136 4.184 4.320 -0.000 0.000 0.220 221 A C 2.325 179.931 177.584 0.037 0.000 1.170 221 A CA 2.042 54.126 52.037 0.077 0.000 0.636 221 A CB -0.709 18.367 19.000 0.126 0.000 0.810 221 A HN 0.411 nan 8.150 nan 0.000 0.448 222 V N -0.594 119.304 119.914 -0.026 0.000 2.649 222 V HA -0.124 3.996 4.120 -0.000 0.000 0.248 222 V C 2.526 178.585 176.094 -0.058 0.000 1.054 222 V CA 1.705 63.979 62.300 -0.043 0.000 1.073 222 V CB -0.568 31.206 31.823 -0.081 0.000 0.699 222 V HN 0.581 nan 8.190 nan 0.000 0.463 223 R N 0.061 120.489 120.500 -0.119 0.000 2.075 223 R HA -0.099 4.241 4.340 -0.000 0.000 0.232 223 R C 2.143 178.461 176.300 0.030 0.000 1.126 223 R CA 1.665 57.667 56.100 -0.164 0.000 0.963 223 R CB -0.393 29.572 30.300 -0.558 0.000 0.858 223 R HN 0.484 nan 8.270 nan 0.000 0.435 224 N N 1.071 119.842 118.700 0.119 0.000 2.166 224 N HA -0.161 4.579 4.740 -0.000 0.000 0.186 224 N C 1.768 177.371 175.510 0.155 0.000 1.019 224 N CA 0.848 54.063 53.050 0.275 0.000 0.856 224 N CB -0.188 38.432 38.487 0.222 0.000 0.993 224 N HN 0.205 nan 8.380 nan 0.000 0.426 225 L N 0.620 121.879 121.223 0.060 0.000 1.976 225 L HA -0.096 4.244 4.340 -0.000 0.000 0.209 225 L C 2.147 179.047 176.870 0.049 0.000 1.071 225 L CA 1.774 56.625 54.840 0.019 0.000 0.746 225 L CB -0.939 41.117 42.059 -0.006 0.000 0.890 225 L HN 0.172 nan 8.230 nan 0.000 0.432 226 G N -0.127 108.698 108.800 0.041 0.000 2.442 226 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.219 226 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.219 226 G C 1.566 176.524 174.900 0.098 0.000 1.141 226 G CA 0.879 46.004 45.100 0.041 0.000 0.763 226 G HN 0.388 nan 8.290 nan 0.000 0.554 227 L N -0.545 120.783 121.223 0.175 0.000 2.156 227 L HA 0.048 4.388 4.340 -0.000 0.000 0.208 227 L C 3.130 180.215 176.870 0.358 0.000 1.095 227 L CA 0.523 55.513 54.840 0.249 0.000 0.770 227 L CB -0.236 42.023 42.059 0.333 0.000 0.914 227 L HN 0.146 nan 8.230 nan 0.000 0.439 228 R N -0.099 120.618 120.500 0.363 0.000 2.092 228 R HA -0.098 4.242 4.340 -0.000 0.000 0.231 228 R C 2.403 178.808 176.300 0.175 0.000 1.119 228 R CA 1.282 57.555 56.100 0.287 0.000 0.970 228 R CB -0.364 29.967 30.300 0.052 0.000 0.864 228 R HN 0.323 nan 8.270 nan 0.000 0.440 229 A N 1.625 124.508 122.820 0.106 0.000 1.969 229 A HA 0.073 4.393 4.320 -0.000 0.000 0.218 229 A C 1.192 178.803 177.584 0.045 0.000 1.169 229 A CA 0.804 52.873 52.037 0.053 0.000 0.635 229 A CB -0.399 18.614 19.000 0.021 0.000 0.810 229 A HN 0.363 nan 8.150 nan 0.000 0.445 230 A N 0.558 123.419 122.820 0.068 0.000 2.591 230 A HA 0.168 4.488 4.320 -0.000 0.000 0.244 230 A C 1.215 178.801 177.584 0.003 0.000 1.031 230 A CA 0.909 52.970 52.037 0.040 0.000 0.767 230 A CB -0.070 18.972 19.000 0.070 0.000 0.942 230 A HN 0.682 nan 8.150 nan 0.000 0.514 231 K N 1.972 122.298 120.400 -0.124 0.000 2.352 231 K HA 0.115 4.435 4.320 -0.000 0.000 0.194 231 K C -0.373 176.116 176.600 -0.186 0.000 1.038 231 K CA 0.090 56.260 56.287 -0.195 0.000 1.023 231 K CB 0.069 32.370 32.500 -0.333 0.000 0.840 231 K HN 0.580 nan 8.250 nan 0.000 0.519 232 Y N 1.540 121.866 120.300 0.044 0.000 2.356 232 Y HA 0.210 4.761 4.550 0.001 0.000 0.341 232 Y C 1.226 177.095 175.900 -0.052 0.000 1.343 232 Y CA -1.304 56.811 58.100 0.025 0.000 1.570 232 Y CB 0.316 38.820 38.460 0.073 0.000 1.558 232 Y HN -0.061 nan 8.280 nan 0.000 0.557 233 N N -0.286 118.439 118.700 0.042 0.000 2.270 233 N HA 0.023 4.762 4.740 -0.000 0.000 0.198 233 N C -1.465 173.558 175.510 -0.812 0.000 1.117 233 N CA 0.443 53.274 53.050 -0.365 0.000 0.845 233 N CB 0.133 38.320 38.487 -0.500 0.000 0.980 233 N HN 0.403 nan 8.380 nan 0.000 0.486 234 Y N -0.318 120.016 120.300 0.056 0.000 2.421 234 Y HA 0.385 4.935 4.550 0.000 0.000 0.339 234 Y C 0.107 175.955 175.900 -0.085 0.000 0.996 234 Y CA -1.398 56.671 58.100 -0.052 0.000 1.046 234 Y CB 1.470 39.862 38.460 -0.113 0.000 1.226 234 Y HN -0.264 nan 8.280 nan 0.000 0.445 235 V N -0.244 119.594 119.914 -0.126 0.000 3.046 235 V HA 1.094 5.214 4.120 -0.000 0.000 0.316 235 V C -0.710 175.114 176.094 -0.450 0.000 1.104 235 V CA -1.043 61.104 62.300 -0.254 0.000 1.006 235 V CB 1.727 33.340 31.823 -0.350 0.000 1.058 235 V HN 1.003 nan 8.190 nan 0.000 0.440 236 A N 2.486 125.126 122.820 -0.299 0.000 2.587 236 A HA 0.930 5.250 4.320 -0.000 0.000 0.293 236 A C -1.198 176.356 177.584 -0.050 0.000 1.087 236 A CA -0.739 51.136 52.037 -0.269 0.000 0.692 236 A CB 1.734 20.605 19.000 -0.215 0.000 1.291 236 A HN 0.998 nan 8.150 nan 0.000 0.407 237 I N 1.030 121.622 120.570 0.037 0.000 2.466 237 I HA 0.500 4.670 4.170 -0.000 0.000 0.289 237 I C -1.405 174.797 176.117 0.141 0.000 1.026 237 I CA -0.639 60.706 61.300 0.075 0.000 1.078 237 I CB 1.946 39.983 38.000 0.060 0.000 1.249 237 I HN 0.484 nan 8.210 nan 0.000 0.429 238 L N 6.210 127.482 121.223 0.082 0.000 2.518 238 L HA 0.499 4.839 4.340 -0.000 0.000 0.262 238 L C -0.608 176.213 176.870 -0.083 0.000 0.982 238 L CA -0.227 54.619 54.840 0.010 0.000 0.873 238 L CB 0.910 42.916 42.059 -0.089 0.000 1.198 238 L HN 0.393 nan 8.230 nan 0.000 0.427 239 D N 1.999 122.341 120.400 -0.096 0.000 2.383 239 D HA -0.096 4.544 4.640 -0.000 0.000 0.233 239 D C 1.434 177.653 176.300 -0.136 0.000 1.233 239 D CA 0.756 54.688 54.000 -0.113 0.000 0.881 239 D CB 0.709 41.430 40.800 -0.131 0.000 1.212 239 D HN 0.828 nan 8.370 nan 0.000 0.467 240 C N -0.326 118.910 119.300 -0.106 0.000 2.432 240 C HA -0.060 4.400 4.460 -0.000 0.000 0.282 240 C C 1.199 176.118 174.990 -0.118 0.000 1.388 240 C CA 0.467 59.421 59.018 -0.106 0.000 1.777 240 C CB -0.714 26.988 27.740 -0.063 0.000 1.882 240 C HN 0.599 nan 8.230 nan 0.000 0.520 241 D N -0.819 119.509 120.400 -0.120 0.000 2.388 241 D HA 0.143 4.783 4.640 -0.000 0.000 0.221 241 D C 0.433 176.622 176.300 -0.186 0.000 1.133 241 D CA -0.005 53.932 54.000 -0.106 0.000 0.831 241 D CB -0.333 40.455 40.800 -0.020 0.000 0.962 241 D HN 0.329 nan 8.370 nan 0.000 0.502 242 M N 1.605 121.064 119.600 -0.234 0.000 2.268 242 M HA 0.441 4.921 4.480 -0.000 0.000 0.340 242 M C -0.521 175.614 176.300 -0.275 0.000 1.099 242 M CA -0.818 54.324 55.300 -0.265 0.000 1.053 242 M CB 0.960 33.396 32.600 -0.272 0.000 1.284 242 M HN 0.071 nan 8.290 nan 0.000 0.410 243 A N 6.310 129.006 122.820 -0.207 0.000 2.438 243 A HA 0.476 4.796 4.320 -0.000 0.000 0.280 243 A C -2.128 175.322 177.584 -0.223 0.000 1.160 243 A CA -0.896 51.005 52.037 -0.226 0.000 0.821 243 A CB -0.588 18.292 19.000 -0.201 0.000 1.101 243 A HN 0.409 nan 8.150 nan 0.000 0.515 244 P HA 0.056 nan 4.420 nan 0.000 0.276 244 P C -0.234 176.970 177.300 -0.159 0.000 1.243 244 P CA -0.399 62.387 63.100 -0.523 0.000 0.768 244 P CB 0.762 31.861 31.700 -1.002 0.000 0.856 245 N N 4.552 123.243 118.700 -0.016 0.000 2.297 245 N HA -0.003 4.737 4.740 -0.000 0.000 0.232 245 N C -1.824 173.736 175.510 0.083 0.000 1.311 245 N CA -0.994 52.131 53.050 0.125 0.000 0.897 245 N CB -0.344 38.236 38.487 0.156 0.000 1.137 245 N HN 0.137 nan 8.380 nan 0.000 0.449 246 P HA -0.056 nan 4.420 nan 0.000 0.217 246 P C 0.623 177.960 177.300 0.061 0.000 1.148 246 P CA 1.359 64.499 63.100 0.067 0.000 0.828 246 P CB 0.124 31.863 31.700 0.065 0.000 0.783 247 L N -3.564 117.696 121.223 0.062 0.000 2.928 247 L HA 0.255 4.595 4.340 -0.000 0.000 0.246 247 L C 1.469 178.355 176.870 0.027 0.000 1.239 247 L CA -0.433 54.426 54.840 0.031 0.000 1.035 247 L CB -0.388 41.673 42.059 0.004 0.000 1.360 247 L HN 0.007 nan 8.230 nan 0.000 0.529 248 W N 0.505 121.713 121.300 -0.154 0.000 2.378 248 W HA -0.148 4.511 4.660 -0.001 0.000 0.313 248 W C 2.030 178.431 176.519 -0.196 0.000 1.197 248 W CA 1.562 58.773 57.345 -0.223 0.000 1.304 248 W CB 0.023 29.384 29.460 -0.164 0.000 1.148 248 W HN -0.081 nan 8.180 nan 0.000 0.494 249 V N 0.697 120.694 119.914 0.139 0.000 2.287 249 V HA -0.357 3.763 4.120 -0.000 0.000 0.248 249 V C 2.264 178.291 176.094 -0.111 0.000 1.053 249 V CA 2.377 64.648 62.300 -0.048 0.000 1.027 249 V CB -1.344 30.359 31.823 -0.200 0.000 0.646 249 V HN 0.243 nan 8.190 nan 0.000 0.447 250 Q N 0.728 120.496 119.800 -0.054 0.000 2.030 250 Q HA -0.180 4.160 4.340 -0.000 0.000 0.204 250 Q C 2.380 178.330 176.000 -0.083 0.000 0.986 250 Q CA 2.457 58.259 55.803 -0.002 0.000 0.843 250 Q CB -0.712 28.037 28.738 0.018 0.000 0.904 250 Q HN 0.589 nan 8.270 nan 0.000 0.420 251 S N -0.558 115.048 115.700 -0.158 0.000 2.402 251 S HA -0.176 4.294 4.470 -0.000 0.000 0.233 251 S C 1.498 175.942 174.600 -0.261 0.000 1.030 251 S CA 1.393 59.455 58.200 -0.230 0.000 1.003 251 S CB -0.431 62.576 63.200 -0.321 0.000 0.813 251 S HN 0.407 nan 8.310 nan 0.000 0.477 252 Y N 0.785 120.871 120.300 -0.357 0.000 2.177 252 Y HA 0.153 4.703 4.550 0.000 0.000 0.291 252 Y C 2.534 178.189 175.900 -0.408 0.000 1.117 252 Y CA 0.353 58.204 58.100 -0.416 0.000 1.114 252 Y CB -0.778 37.336 38.460 -0.576 0.000 1.017 252 Y HN 0.129 nan 8.280 nan 0.000 0.505 253 M N 0.335 119.752 119.600 -0.306 0.000 2.144 253 M HA -0.254 4.226 4.480 -0.000 0.000 0.260 253 M C 1.848 177.805 176.300 -0.571 0.000 1.067 253 M CA 1.581 56.478 55.300 -0.672 0.000 1.095 253 M CB -1.250 30.648 32.600 -1.170 0.000 1.365 253 M HN 0.380 nan 8.290 nan 0.000 0.406 254 E N 0.091 120.153 120.200 -0.230 0.000 2.058 254 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 254 E C 2.167 178.698 176.600 -0.116 0.000 0.997 254 E CA 1.186 57.552 56.400 -0.056 0.000 0.801 254 E CB -0.197 29.500 29.700 -0.005 0.000 0.746 254 E HN 0.460 nan 8.360 nan 0.000 0.450 255 L N 0.407 121.545 121.223 -0.141 0.000 2.044 255 L HA -0.159 4.181 4.340 -0.000 0.000 0.205 255 L C 2.470 179.241 176.870 -0.165 0.000 1.075 255 L CA 0.736 55.498 54.840 -0.129 0.000 0.747 255 L CB -0.344 41.646 42.059 -0.115 0.000 0.903 255 L HN 0.162 nan 8.230 nan 0.000 0.435 256 L N -0.164 120.912 121.223 -0.246 0.000 2.012 256 L HA -0.230 4.109 4.340 -0.000 0.000 0.210 256 L C 2.903 179.563 176.870 -0.350 0.000 1.073 256 L CA 1.270 55.925 54.840 -0.307 0.000 0.748 256 L CB -0.807 40.950 42.059 -0.503 0.000 0.891 256 L HN 0.260 nan 8.230 nan 0.000 0.431 257 A N -0.107 122.460 122.820 -0.421 0.000 1.986 257 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 257 A C 2.316 179.828 177.584 -0.119 0.000 1.171 257 A CA 2.297 54.163 52.037 -0.284 0.000 0.640 257 A CB -0.908 17.997 19.000 -0.159 0.000 0.811 257 A HN 0.403 nan 8.150 nan 0.000 0.451 258 V N -2.870 116.984 119.914 -0.101 0.000 2.500 258 V HA 0.153 4.273 4.120 -0.000 0.000 0.243 258 V C 0.434 176.497 176.094 -0.052 0.000 1.039 258 V CA 1.517 63.782 62.300 -0.058 0.000 1.053 258 V CB -0.110 31.684 31.823 -0.049 0.000 0.695 258 V HN 0.387 nan 8.190 nan 0.000 0.463 259 D N 0.862 121.227 120.400 -0.057 0.000 2.575 259 D HA 0.206 4.846 4.640 -0.000 0.000 0.250 259 D C 0.041 176.347 176.300 0.010 0.000 1.279 259 D CA 0.006 53.986 54.000 -0.034 0.000 0.925 259 D CB 1.592 42.359 40.800 -0.054 0.000 1.261 259 D HN 0.495 nan 8.370 nan 0.000 0.567 260 D N 2.208 122.647 120.400 0.065 0.000 2.349 260 D HA -0.064 4.576 4.640 -0.000 0.000 0.224 260 D C 0.068 176.530 176.300 0.270 0.000 1.029 260 D CA 0.074 54.177 54.000 0.171 0.000 0.879 260 D CB 0.128 41.036 40.800 0.180 0.000 0.906 260 D HN 0.141 nan 8.370 nan 0.000 0.528 261 N N 0.278 119.109 118.700 0.218 0.000 2.268 261 N HA 0.057 4.797 4.740 -0.000 0.000 0.204 261 N C -0.487 175.162 175.510 0.230 0.000 1.124 261 N CA -0.016 53.284 53.050 0.417 0.000 0.838 261 N CB 1.862 40.518 38.487 0.283 0.000 0.994 261 N HN 0.118 nan 8.380 nan 0.000 0.489 262 V N 0.618 120.583 119.914 0.085 0.000 2.483 262 V HA 0.692 4.812 4.120 -0.000 0.000 0.297 262 V C -0.727 175.285 176.094 -0.137 0.000 1.027 262 V CA -0.889 61.365 62.300 -0.077 0.000 0.855 262 V CB 1.243 33.019 31.823 -0.079 0.000 0.995 262 V HN 0.156 nan 8.190 nan 0.000 0.424 263 A N 7.401 130.016 122.820 -0.342 0.000 2.388 263 A HA 0.760 5.080 4.320 -0.000 0.000 0.257 263 A C -0.474 177.106 177.584 -0.006 0.000 1.095 263 A CA -0.358 51.573 52.037 -0.177 0.000 0.791 263 A CB 0.332 19.065 19.000 -0.445 0.000 1.029 263 A HN 0.917 nan 8.150 nan 0.000 0.489 264 L N 2.256 123.522 121.223 0.073 0.000 2.325 264 L HA 0.575 4.915 4.340 -0.000 0.000 0.278 264 L C -0.532 176.438 176.870 0.166 0.000 1.023 264 L CA -0.301 54.583 54.840 0.074 0.000 0.811 264 L CB 1.421 43.512 42.059 0.053 0.000 1.249 264 L HN 0.549 nan 8.230 nan 0.000 0.431 265 I N 1.394 122.052 120.570 0.147 0.000 2.436 265 I HA 0.474 4.644 4.170 -0.000 0.000 0.289 265 I C 0.284 176.419 176.117 0.030 0.000 1.010 265 I CA -0.415 60.945 61.300 0.100 0.000 1.098 265 I CB 2.107 40.170 38.000 0.106 0.000 1.266 265 I HN 0.649 nan 8.210 nan 0.000 0.434 266 G N 6.578 115.446 108.800 0.114 0.000 2.388 266 G HA2 0.697 4.657 3.960 -0.000 0.000 0.330 266 G HA3 0.697 4.657 3.960 -0.000 0.000 0.330 266 G C -2.807 172.130 174.900 0.063 0.000 1.142 266 G CA -1.248 43.867 45.100 0.024 0.000 0.908 266 G HN 0.285 nan 8.290 nan 0.000 0.473 267 P HA 0.458 nan 4.420 nan 0.000 0.282 267 P C -0.833 176.453 177.300 -0.024 0.000 1.287 267 P CA -0.572 62.586 63.100 0.096 0.000 0.792 267 P CB 1.475 33.248 31.700 0.121 0.000 1.163 268 R N -1.161 119.298 120.500 -0.069 0.000 2.774 268 R HA 0.719 5.059 4.340 -0.000 0.000 0.272 268 R C -0.916 175.258 176.300 -0.210 0.000 1.000 268 R CA -1.105 54.883 56.100 -0.187 0.000 0.906 268 R CB 1.894 32.072 30.300 -0.204 0.000 1.227 268 R HN 0.218 nan 8.270 nan 0.000 0.468 269 K N 1.527 121.781 120.400 -0.243 0.000 2.378 269 K HA 0.324 4.644 4.320 -0.000 0.000 0.252 269 K C -1.443 175.141 176.600 -0.027 0.000 0.931 269 K CA -0.810 55.443 56.287 -0.055 0.000 0.794 269 K CB 1.969 34.515 32.500 0.078 0.000 1.181 269 K HN 0.453 nan 8.250 nan 0.000 0.425 270 Y N 3.694 124.079 120.300 0.143 0.000 2.350 270 Y HA 0.336 4.886 4.550 0.000 0.000 0.340 270 Y C 0.554 176.535 175.900 0.135 0.000 1.006 270 Y CA -0.588 57.583 58.100 0.118 0.000 1.166 270 Y CB 0.422 38.904 38.460 0.036 0.000 1.168 270 Y HN 0.407 nan 8.280 nan 0.000 0.502 271 I N -1.303 119.428 120.570 0.269 0.000 3.174 271 I HA 0.706 4.876 4.170 -0.000 0.000 0.313 271 I C -1.530 174.690 176.117 0.171 0.000 1.155 271 I CA -1.237 60.182 61.300 0.200 0.000 0.977 271 I CB 2.592 40.688 38.000 0.160 0.000 1.248 271 I HN 0.274 nan 8.210 nan 0.000 0.453 272 D N 1.048 121.537 120.400 0.149 0.000 2.217 272 D HA 0.400 5.040 4.640 -0.000 0.000 0.243 272 D C -0.108 176.304 176.300 0.187 0.000 1.054 272 D CA -0.200 53.888 54.000 0.147 0.000 0.838 272 D CB 2.122 42.995 40.800 0.121 0.000 1.162 272 D HN 0.667 nan 8.370 nan 0.000 0.472 273 T N 1.119 115.791 114.554 0.197 0.000 3.044 273 T HA 0.089 4.439 4.350 -0.000 0.000 0.260 273 T C 1.521 176.396 174.700 0.291 0.000 1.019 273 T CA 0.143 62.412 62.100 0.282 0.000 0.921 273 T CB 0.077 69.059 68.868 0.190 0.000 1.053 273 T HN 0.314 nan 8.240 nan 0.000 0.533 274 S N 1.892 117.705 115.700 0.187 0.000 2.377 274 S HA -0.092 4.378 4.470 -0.000 0.000 0.224 274 S C 1.371 176.020 174.600 0.082 0.000 1.042 274 S CA 1.237 59.511 58.200 0.122 0.000 1.086 274 S CB -0.128 63.119 63.200 0.079 0.000 0.995 274 S HN 0.317 nan 8.310 nan 0.000 0.428 275 K N 2.295 122.698 120.400 0.006 0.000 3.322 275 K HA 0.193 4.513 4.320 -0.000 0.000 0.291 275 K C -0.245 176.087 176.600 -0.447 0.000 1.131 275 K CA 0.374 56.552 56.287 -0.181 0.000 1.185 275 K CB -0.667 31.692 32.500 -0.235 0.000 1.338 275 K HN 0.510 nan 8.250 nan 0.000 0.380 276 H N -1.299 117.803 119.070 0.054 0.000 2.981 276 H HA 0.282 4.838 4.556 -0.000 0.000 0.327 276 H C -0.176 175.219 175.328 0.112 0.000 1.342 276 H CA -0.516 55.560 56.048 0.046 0.000 1.123 276 H CB 2.026 31.849 29.762 0.102 0.000 1.851 276 H HN 0.187 nan 8.280 nan 0.000 0.531 277 T N -2.168 112.535 114.554 0.247 0.000 2.864 277 T HA 0.214 4.564 4.350 -0.000 0.000 0.299 277 T C 0.904 175.769 174.700 0.275 0.000 1.166 277 T CA -0.780 61.435 62.100 0.191 0.000 1.007 277 T CB 1.033 69.886 68.868 -0.025 0.000 1.219 277 T HN 0.643 nan 8.240 nan 0.000 0.506 278 Y N 0.809 121.309 120.300 0.334 0.000 2.315 278 Y HA 0.038 4.588 4.550 0.001 0.000 0.288 278 Y C 1.810 177.899 175.900 0.315 0.000 1.154 278 Y CA 0.866 59.207 58.100 0.403 0.000 1.229 278 Y CB -1.046 37.637 38.460 0.372 0.000 0.980 278 Y HN 0.489 nan 8.280 nan 0.000 0.540 279 L N 0.473 121.437 121.223 -0.431 0.000 2.131 279 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 279 L C 1.882 178.695 176.870 -0.095 0.000 1.092 279 L CA 1.409 56.094 54.840 -0.258 0.000 0.759 279 L CB -0.559 41.262 42.059 -0.396 0.000 0.903 279 L HN 0.234 nan 8.230 nan 0.000 0.435 280 D N -0.052 120.265 120.400 -0.140 0.000 2.144 280 D HA -0.175 4.465 4.640 -0.000 0.000 0.199 280 D C 1.974 178.072 176.300 -0.337 0.000 0.984 280 D CA 1.481 55.323 54.000 -0.263 0.000 0.834 280 D CB -0.199 40.373 40.800 -0.380 0.000 0.955 280 D HN 0.271 nan 8.370 nan 0.000 0.465 281 F N 0.167 120.123 119.950 0.010 0.000 2.512 281 F HA 0.154 4.681 4.527 -0.000 0.000 0.296 281 F C 2.256 178.090 175.800 0.057 0.000 1.110 281 F CA 0.210 58.220 58.000 0.017 0.000 1.446 281 F CB -0.223 38.797 39.000 0.034 0.000 1.092 281 F HN -0.105 nan 8.300 nan 0.000 0.554 282 L N -0.496 120.872 121.223 0.241 0.000 2.313 282 L HA -0.089 4.251 4.340 -0.000 0.000 0.214 282 L C 2.187 179.116 176.870 0.099 0.000 1.119 282 L CA 1.179 56.135 54.840 0.193 0.000 0.809 282 L CB -0.392 41.797 42.059 0.218 0.000 0.933 282 L HN 0.195 nan 8.230 nan 0.000 0.449 283 S N -2.390 113.336 115.700 0.042 0.000 2.524 283 S HA 0.070 4.540 4.470 -0.000 0.000 0.215 283 S C 0.883 175.479 174.600 -0.007 0.000 0.986 283 S CA -0.348 57.856 58.200 0.007 0.000 0.911 283 S CB 0.293 63.479 63.200 -0.024 0.000 0.805 283 S HN 0.372 nan 8.310 nan 0.000 0.501 284 Q N 0.831 120.623 119.800 -0.013 0.000 3.122 284 Q HA 0.323 4.663 4.340 -0.000 0.000 0.282 284 Q C -0.444 175.569 176.000 0.022 0.000 0.947 284 Q CA -0.211 55.577 55.803 -0.026 0.000 0.812 284 Q CB 0.953 29.631 28.738 -0.098 0.000 1.333 284 Q HN 0.338 nan 8.270 nan 0.000 0.430 285 K N -0.127 120.303 120.400 0.050 0.000 2.642 285 K HA -0.104 4.215 4.320 -0.000 0.000 0.194 285 K C 1.228 177.867 176.600 0.065 0.000 1.039 285 K CA 0.722 57.054 56.287 0.075 0.000 0.947 285 K CB 0.163 32.704 32.500 0.068 0.000 0.784 285 K HN 0.120 nan 8.250 nan 0.000 0.491 286 S N -0.182 115.544 115.700 0.043 0.000 2.817 286 S HA 0.075 4.545 4.470 -0.000 0.000 0.262 286 S C 1.033 175.637 174.600 0.006 0.000 1.051 286 S CA -0.353 57.865 58.200 0.031 0.000 1.185 286 S CB 0.151 63.363 63.200 0.020 0.000 1.152 286 S HN 0.229 nan 8.310 nan 0.000 0.653 287 L N 1.940 123.161 121.223 -0.002 0.000 2.012 287 L HA 0.136 4.476 4.340 -0.000 0.000 0.210 287 L C 1.863 178.708 176.870 -0.041 0.000 1.073 287 L CA 1.802 56.605 54.840 -0.062 0.000 0.748 287 L CB -0.724 41.208 42.059 -0.212 0.000 0.891 287 L HN 0.451 nan 8.230 nan 0.000 0.431 288 I N 0.242 120.850 120.570 0.062 0.000 2.502 288 I HA -0.321 3.849 4.170 -0.000 0.000 0.258 288 I C 1.778 177.565 176.117 -0.549 0.000 1.172 288 I CA 1.548 62.750 61.300 -0.164 0.000 1.430 288 I CB -0.773 37.144 38.000 -0.139 0.000 1.086 288 I HN 0.469 nan 8.210 nan 0.000 0.440 289 N N -0.626 117.935 118.700 -0.233 0.000 2.322 289 N HA 0.010 4.750 4.740 -0.000 0.000 0.194 289 N C 1.131 176.589 175.510 -0.088 0.000 1.126 289 N CA 0.166 53.137 53.050 -0.131 0.000 0.845 289 N CB 0.300 38.812 38.487 0.042 0.000 0.976 289 N HN 0.476 nan 8.380 nan 0.000 0.475 290 E N 0.272 120.400 120.200 -0.119 0.000 2.354 290 E HA 0.193 4.543 4.350 -0.000 0.000 0.203 290 E C 0.019 176.584 176.600 -0.057 0.000 0.841 290 E CA -0.208 56.157 56.400 -0.059 0.000 1.046 290 E CB 0.771 30.445 29.700 -0.043 0.000 1.040 290 E HN 0.149 nan 8.360 nan 0.000 0.504 291 I N 5.489 126.003 120.570 -0.092 0.000 3.015 291 I HA -0.067 4.103 4.170 -0.000 0.000 0.309 291 I C -1.946 174.166 176.117 -0.010 0.000 1.229 291 I CA -0.814 60.463 61.300 -0.039 0.000 1.430 291 I CB -0.141 37.829 38.000 -0.050 0.000 1.347 291 I HN -0.024 nan 8.210 nan 0.000 0.544 292 P HA 0.068 nan 4.420 nan 0.000 0.271 292 P C -0.775 176.579 177.300 0.089 0.000 1.216 292 P CA -0.265 62.871 63.100 0.061 0.000 0.771 292 P CB 0.474 32.209 31.700 0.058 0.000 0.864 293 E N 2.351 122.618 120.200 0.111 0.000 2.384 293 E HA 0.111 4.461 4.350 -0.000 0.000 0.266 293 E C 0.582 177.252 176.600 0.118 0.000 1.012 293 E CA -0.463 56.024 56.400 0.146 0.000 0.901 293 E CB 0.104 29.901 29.700 0.163 0.000 0.967 293 E HN 0.432 nan 8.360 nan 0.000 0.435 294 I N 0.069 120.715 120.570 0.127 0.000 2.692 294 I HA 0.138 4.308 4.170 -0.000 0.000 0.284 294 I C -0.263 175.891 176.117 0.061 0.000 1.159 294 I CA 0.174 61.527 61.300 0.088 0.000 1.423 294 I CB 0.307 38.358 38.000 0.085 0.000 1.380 294 I HN 0.377 nan 8.210 nan 0.000 0.580 295 I N 5.637 126.231 120.570 0.040 0.000 2.304 295 I HA 0.243 4.413 4.170 -0.000 0.000 0.291 295 I C 0.529 176.649 176.117 0.006 0.000 1.018 295 I CA -0.268 61.046 61.300 0.024 0.000 1.260 295 I CB 1.336 39.352 38.000 0.025 0.000 1.390 295 I HN 0.788 nan 8.210 nan 0.000 0.475 296 T N 4.458 119.004 114.554 -0.013 0.000 2.934 296 T HA 0.309 4.659 4.350 -0.000 0.000 0.283 296 T C 0.227 174.915 174.700 -0.019 0.000 1.005 296 T CA -0.364 61.718 62.100 -0.029 0.000 1.041 296 T CB 1.208 70.036 68.868 -0.067 0.000 1.042 296 T HN 0.545 nan 8.240 nan 0.000 0.505 297 N N 1.631 120.320 118.700 -0.019 0.000 2.294 297 N HA 0.490 5.230 4.740 -0.000 0.000 0.275 297 N C -0.255 175.245 175.510 -0.017 0.000 1.291 297 N CA -0.088 52.954 53.050 -0.013 0.000 0.933 297 N CB 0.328 38.808 38.487 -0.011 0.000 1.096 297 N HN 0.744 nan 8.380 nan 0.000 0.525 298 N N -1.961 116.732 118.700 -0.013 0.000 3.427 298 N HA 0.131 4.870 4.740 -0.000 0.000 0.313 298 N C -1.970 173.534 175.510 -0.010 0.000 1.491 298 N CA -0.522 52.520 53.050 -0.013 0.000 0.870 298 N CB 0.380 38.861 38.487 -0.009 0.000 1.763 298 N HN 0.468 nan 8.380 nan 0.000 0.502 299 Q N -0.151 119.643 119.800 -0.009 0.000 3.296 299 Q HA -0.115 4.225 4.340 -0.000 0.000 0.384 299 Q C -0.026 175.970 176.000 -0.007 0.000 1.173 299 Q CA 0.906 56.704 55.803 -0.008 0.000 0.962 299 Q CB 0.050 28.785 28.738 -0.005 0.000 1.299 299 Q HN 0.398 nan 8.270 nan 0.000 0.576 300 V N 0.366 120.275 119.914 -0.007 0.000 3.398 300 V HA 0.257 4.377 4.120 -0.000 0.000 0.298 300 V C 0.076 176.167 176.094 -0.006 0.000 1.496 300 V CA 0.548 62.844 62.300 -0.006 0.000 1.044 300 V CB 1.082 32.901 31.823 -0.007 0.000 0.880 300 V HN 0.738 nan 8.190 nan 0.000 0.443 301 A N 0.264 123.080 122.820 -0.006 0.000 3.165 301 A HA 0.782 5.102 4.320 -0.000 0.000 0.331 301 A C 0.756 178.337 177.584 -0.005 0.000 1.034 301 A CA 0.502 52.536 52.037 -0.006 0.000 0.906 301 A CB 0.081 19.077 19.000 -0.008 0.000 1.054 301 A HN 0.643 nan 8.150 nan 0.000 0.484 302 G N 0.107 108.905 108.800 -0.003 0.000 3.620 302 G HA2 0.246 4.206 3.960 -0.000 0.000 0.112 302 G HA3 0.246 4.206 3.960 -0.000 0.000 0.112 302 G C -0.166 174.733 174.900 -0.001 0.000 2.274 302 G CA 0.271 45.369 45.100 -0.002 0.000 1.052 302 G HN 0.861 nan 8.290 nan 0.000 0.298 303 K N -0.025 120.374 120.400 -0.001 0.000 2.712 303 K HA 0.452 4.772 4.320 -0.000 0.000 0.274 303 K C -0.795 175.805 176.600 -0.001 0.000 1.025 303 K CA -0.594 55.693 56.287 -0.001 0.000 0.904 303 K CB 1.690 34.190 32.500 0.000 0.000 1.392 303 K HN 0.412 nan 8.250 nan 0.000 0.392 304 V N 2.699 122.613 119.914 -0.001 0.000 2.999 304 V HA 0.189 4.309 4.120 -0.000 0.000 0.307 304 V C 0.211 176.305 176.094 0.000 0.000 1.084 304 V CA 0.493 62.793 62.300 -0.001 0.000 1.155 304 V CB 0.949 32.771 31.823 -0.001 0.000 0.975 304 V HN 0.780 nan 8.190 nan 0.000 0.490 305 E N 1.381 121.580 120.200 -0.000 0.000 2.454 305 E HA 0.481 4.831 4.350 -0.000 0.000 0.279 305 E C -1.642 174.959 176.600 0.002 0.000 1.029 305 E CA -0.972 55.429 56.400 0.002 0.000 0.831 305 E CB 1.936 31.637 29.700 0.003 0.000 1.405 305 E HN 0.515 nan 8.360 nan 0.000 0.463 306 Q N 1.705 121.507 119.800 0.005 0.000 2.337 306 Q HA 0.463 4.803 4.340 -0.000 0.000 0.264 306 Q C -1.322 174.684 176.000 0.010 0.000 1.007 306 Q CA -0.476 55.331 55.803 0.006 0.000 0.727 306 Q CB 1.567 30.310 28.738 0.008 0.000 1.256 306 Q HN 0.407 nan 8.270 nan 0.000 0.467 307 N N 1.612 120.317 118.700 0.009 0.000 2.225 307 N HA 0.243 4.983 4.740 -0.000 0.000 0.298 307 N C -0.710 174.810 175.510 0.018 0.000 1.076 307 N CA -0.653 52.406 53.050 0.015 0.000 0.792 307 N CB 2.583 41.079 38.487 0.015 0.000 1.498 307 N HN 0.381 nan 8.380 nan 0.000 0.474 308 K N 0.188 120.607 120.400 0.032 0.000 2.368 308 K HA 0.304 4.624 4.320 -0.000 0.000 0.282 308 K C -0.103 176.527 176.600 0.050 0.000 1.035 308 K CA -0.300 56.014 56.287 0.045 0.000 0.973 308 K CB 0.470 33.008 32.500 0.062 0.000 0.957 308 K HN 0.207 nan 8.250 nan 0.000 0.474 309 S N 1.775 117.497 115.700 0.036 0.000 2.558 309 S HA 0.181 4.651 4.470 -0.000 0.000 0.288 309 S C 0.041 174.735 174.600 0.157 0.000 1.318 309 S CA -0.437 57.769 58.200 0.010 0.000 1.056 309 S CB 0.520 63.620 63.200 -0.167 0.000 0.853 309 S HN 0.588 nan 8.310 nan 0.000 0.505 310 V N -0.284 119.738 119.914 0.180 0.000 3.147 310 V HA 0.561 4.681 4.120 -0.000 0.000 0.306 310 V C -0.860 175.435 176.094 0.336 0.000 1.209 310 V CA -1.342 61.112 62.300 0.256 0.000 1.023 310 V CB 2.009 33.921 31.823 0.148 0.000 1.059 310 V HN 0.634 nan 8.190 nan 0.000 0.435 311 D N 3.660 124.231 120.400 0.284 0.000 2.358 311 D HA 0.067 4.707 4.640 -0.000 0.000 0.258 311 D C 1.285 177.643 176.300 0.096 0.000 1.223 311 D CA -0.252 53.878 54.000 0.217 0.000 0.886 311 D CB 0.736 41.558 40.800 0.037 0.000 1.120 311 D HN 0.830 nan 8.370 nan 0.000 0.482 312 W N 5.114 126.485 121.300 0.119 0.000 2.341 312 W HA -0.205 4.455 4.660 -0.000 0.000 0.283 312 W C 0.784 177.356 176.519 0.088 0.000 1.215 312 W CA 0.316 57.719 57.345 0.097 0.000 1.211 312 W CB -0.655 28.874 29.460 0.115 0.000 1.131 312 W HN 0.397 nan 8.180 nan 0.000 0.552 313 R N 0.524 120.465 120.500 -0.931 0.000 2.200 313 R HA 0.063 4.403 4.340 -0.000 0.000 0.208 313 R C 2.366 177.969 176.300 -1.162 0.000 1.033 313 R CA 1.075 56.413 56.100 -1.269 0.000 1.000 313 R CB -0.495 28.756 30.300 -1.749 0.000 0.906 313 R HN 0.176 nan 8.270 nan 0.000 0.462 314 I N 1.258 121.455 120.570 -0.623 0.000 2.143 314 I HA -0.364 3.806 4.170 -0.000 0.000 0.245 314 I C 2.458 178.460 176.117 -0.192 0.000 1.068 314 I CA 1.479 62.620 61.300 -0.265 0.000 1.326 314 I CB -0.252 37.714 38.000 -0.056 0.000 1.028 314 I HN 0.171 nan 8.210 nan 0.000 0.412 315 E N 0.630 120.720 120.200 -0.183 0.000 2.012 315 E HA -0.231 4.119 4.350 -0.000 0.000 0.197 315 E C 2.204 178.682 176.600 -0.203 0.000 1.007 315 E CA 1.677 57.980 56.400 -0.162 0.000 0.816 315 E CB -0.375 29.212 29.700 -0.187 0.000 0.762 315 E HN 0.465 nan 8.360 nan 0.000 0.451 316 H N -0.862 118.059 119.070 -0.249 0.000 2.394 316 H HA -0.188 4.368 4.556 -0.000 0.000 0.297 316 H C 2.050 177.250 175.328 -0.214 0.000 1.113 316 H CA 1.514 57.399 56.048 -0.271 0.000 1.277 316 H CB -0.322 29.161 29.762 -0.464 0.000 1.370 316 H HN 0.215 nan 8.280 nan 0.000 0.506 317 F N 1.382 121.229 119.950 -0.172 0.000 2.102 317 F HA -0.121 4.406 4.527 -0.000 0.000 0.298 317 F C 2.467 178.214 175.800 -0.088 0.000 1.105 317 F CA 0.898 58.796 58.000 -0.169 0.000 1.239 317 F CB -0.563 38.347 39.000 -0.151 0.000 0.991 317 F HN 0.050 nan 8.300 nan 0.000 0.474 318 K N -0.078 120.396 120.400 0.123 0.000 2.025 318 K HA -0.152 4.168 4.320 -0.000 0.000 0.207 318 K C 1.413 178.034 176.600 0.035 0.000 1.049 318 K CA 1.542 57.866 56.287 0.062 0.000 0.933 318 K CB -0.406 32.113 32.500 0.031 0.000 0.714 318 K HN 0.135 nan 8.250 nan 0.000 0.438 319 N N 0.344 119.048 118.700 0.007 0.000 2.571 319 N HA -0.068 4.672 4.740 -0.000 0.000 0.189 319 N C 0.298 175.823 175.510 0.025 0.000 1.154 319 N CA 1.037 54.089 53.050 0.002 0.000 0.907 319 N CB 0.307 38.774 38.487 -0.033 0.000 0.977 319 N HN 0.286 nan 8.380 nan 0.000 0.449 320 T N -4.360 110.219 114.554 0.041 0.000 3.399 320 T HA 0.096 4.446 4.350 -0.000 0.000 0.305 320 T C -0.198 174.542 174.700 0.066 0.000 0.983 320 T CA -0.553 61.577 62.100 0.050 0.000 0.967 320 T CB -0.000 68.894 68.868 0.044 0.000 1.186 320 T HN -0.049 nan 8.240 nan 0.000 0.504 321 D N 3.237 123.675 120.400 0.063 0.000 2.803 321 D HA -0.211 4.429 4.640 -0.000 0.000 0.233 321 D C -0.154 176.221 176.300 0.126 0.000 1.182 321 D CA 0.947 54.991 54.000 0.073 0.000 0.726 321 D CB -2.007 38.819 40.800 0.045 0.000 0.987 321 D HN 0.624 nan 8.370 nan 0.000 0.412 322 N N 1.252 120.011 118.700 0.098 0.000 2.688 322 N HA -0.244 4.496 4.740 -0.000 0.000 0.258 322 N C 1.287 176.869 175.510 0.120 0.000 1.016 322 N CA 1.127 54.200 53.050 0.037 0.000 0.747 322 N CB -1.047 37.437 38.487 -0.006 0.000 0.895 322 N HN 0.751 nan 8.380 nan 0.000 0.543 323 L N -3.318 117.978 121.223 0.121 0.000 5.198 323 L HA -0.382 3.958 4.340 -0.000 0.000 0.414 323 L C 1.960 178.981 176.870 0.251 0.000 0.922 323 L CA 1.856 56.787 54.840 0.151 0.000 1.585 323 L CB -1.006 41.137 42.059 0.140 0.000 1.671 323 L HN 0.451 nan 8.230 nan 0.000 0.621 324 R N 0.735 121.409 120.500 0.291 0.000 2.139 324 R HA -0.151 4.189 4.340 -0.000 0.000 0.243 324 R C 1.425 177.751 176.300 0.043 0.000 1.145 324 R CA 1.404 57.534 56.100 0.049 0.000 0.976 324 R CB 0.057 30.135 30.300 -0.370 0.000 0.866 324 R HN 0.346 nan 8.270 nan 0.000 0.449 325 L N -0.003 121.254 121.223 0.057 0.000 2.685 325 L HA 0.140 4.480 4.340 -0.000 0.000 0.233 325 L C 0.328 177.240 176.870 0.070 0.000 1.173 325 L CA 0.097 54.967 54.840 0.051 0.000 0.961 325 L CB -0.761 41.321 42.059 0.037 0.000 1.217 325 L HN 0.174 nan 8.230 nan 0.000 0.478 326 C N 0.539 119.892 119.300 0.089 0.000 2.341 326 C HA 0.382 4.842 4.460 -0.000 0.000 0.338 326 C C 1.713 176.750 174.990 0.079 0.000 1.257 326 C CA -0.478 58.584 59.018 0.073 0.000 1.883 326 C CB 0.638 28.417 27.740 0.064 0.000 2.334 326 C HN 0.410 nan 8.230 nan 0.000 0.524 327 N N 1.370 120.096 118.700 0.043 0.000 2.282 327 N HA 0.043 4.783 4.740 -0.000 0.000 0.185 327 N C 0.571 176.042 175.510 -0.065 0.000 1.099 327 N CA 0.680 53.785 53.050 0.092 0.000 0.878 327 N CB 0.437 39.020 38.487 0.161 0.000 0.993 327 N HN 0.890 nan 8.380 nan 0.000 0.481 328 T N -1.246 113.114 114.554 -0.324 0.000 3.516 328 T HA 0.250 4.600 4.350 -0.000 0.000 0.245 328 T C -1.888 172.228 174.700 -0.974 0.000 1.077 328 T CA -1.337 60.248 62.100 -0.860 0.000 1.222 328 T CB 1.356 69.417 68.868 -1.345 0.000 1.045 328 T HN -0.095 nan 8.240 nan 0.000 0.585 329 P HA -0.205 nan 4.420 nan 0.000 0.216 329 P C 1.533 178.545 177.300 -0.480 0.000 1.150 329 P CA 1.255 64.181 63.100 -0.290 0.000 0.843 329 P CB -0.315 31.244 31.700 -0.234 0.000 0.787 330 F N 0.914 120.380 119.950 -0.806 0.000 2.307 330 F HA -0.027 4.500 4.527 -0.000 0.000 0.301 330 F C 1.887 177.522 175.800 -0.275 0.000 1.076 330 F CA 0.362 57.989 58.000 -0.622 0.000 1.383 330 F CB -1.971 36.717 39.000 -0.519 0.000 1.055 330 F HN -0.226 nan 8.300 nan 0.000 0.526 331 R N 0.017 119.955 120.500 -0.935 0.000 2.369 331 R HA -0.008 4.332 4.340 -0.000 0.000 0.200 331 R C -0.108 175.682 176.300 -0.851 0.000 1.046 331 R CA 0.741 56.332 56.100 -0.848 0.000 1.057 331 R CB -0.735 28.760 30.300 -1.341 0.000 0.888 331 R HN 0.425 nan 8.270 nan 0.000 0.474 332 F N -2.516 117.444 119.950 0.017 0.000 2.880 332 F HA 0.175 4.702 4.527 -0.000 0.000 0.328 332 F C 0.316 176.250 175.800 0.223 0.000 1.146 332 F CA -0.858 57.186 58.000 0.073 0.000 1.135 332 F CB 0.223 39.229 39.000 0.010 0.000 1.151 332 F HN -0.126 nan 8.300 nan 0.000 0.523 333 F N 2.232 122.307 119.950 0.208 0.000 2.705 333 F HA 0.277 4.804 4.527 -0.001 0.000 0.355 333 F C 0.814 176.780 175.800 0.277 0.000 1.172 333 F CA -0.358 57.797 58.000 0.258 0.000 1.332 333 F CB -0.363 38.782 39.000 0.243 0.000 1.621 333 F HN -0.208 nan 8.300 nan 0.000 0.605 334 S N 1.422 117.228 115.700 0.177 0.000 2.555 334 S HA -0.012 4.457 4.470 -0.000 0.000 0.293 334 S C 1.641 176.261 174.600 0.033 0.000 1.248 334 S CA 0.277 58.566 58.200 0.148 0.000 1.096 334 S CB 0.928 64.233 63.200 0.175 0.000 0.881 334 S HN 0.775 nan 8.310 nan 0.000 0.498 335 G N 3.330 112.190 108.800 0.101 0.000 2.516 335 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.221 335 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.221 335 G C 1.357 176.273 174.900 0.027 0.000 1.107 335 G CA 0.569 45.720 45.100 0.085 0.000 0.747 335 G HN 0.785 nan 8.290 nan 0.000 0.567 336 G N -0.371 108.446 108.800 0.028 0.000 2.471 336 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.219 336 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.219 336 G C 0.662 175.577 174.900 0.025 0.000 1.125 336 G CA 0.710 45.807 45.100 -0.006 0.000 0.775 336 G HN 0.488 nan 8.290 nan 0.000 0.548 337 N N -0.777 117.961 118.700 0.063 0.000 2.827 337 N HA 0.309 5.049 4.740 -0.000 0.000 0.240 337 N C -0.938 174.662 175.510 0.150 0.000 1.352 337 N CA -0.180 52.985 53.050 0.191 0.000 0.760 337 N CB 1.152 39.764 38.487 0.210 0.000 1.426 337 N HN 0.282 nan 8.380 nan 0.000 0.561 338 V N -0.279 119.677 119.914 0.070 0.000 3.206 338 V HA 1.083 5.203 4.120 -0.000 0.000 0.305 338 V C -1.130 174.773 176.094 -0.318 0.000 1.257 338 V CA -0.758 61.475 62.300 -0.112 0.000 1.057 338 V CB 1.393 32.997 31.823 -0.364 0.000 1.075 338 V HN 0.571 nan 8.190 nan 0.000 0.443 339 A N 1.560 124.100 122.820 -0.467 0.000 2.587 339 A HA 1.106 5.426 4.320 -0.000 0.000 0.293 339 A C -1.164 176.354 177.584 -0.110 0.000 1.087 339 A CA -0.279 51.368 52.037 -0.650 0.000 0.692 339 A CB 1.892 20.038 19.000 -1.423 0.000 1.291 339 A HN 2.450 nan 8.150 nan 0.000 0.407 340 F N -2.082 117.813 119.950 -0.090 0.000 2.740 340 F HA 0.664 5.191 4.527 -0.000 0.000 0.312 340 F C -0.135 175.763 175.800 0.163 0.000 1.121 340 F CA -0.647 57.383 58.000 0.050 0.000 0.977 340 F CB 0.328 39.382 39.000 0.090 0.000 1.265 340 F HN 1.271 nan 8.300 nan 0.000 0.443 341 A N 2.695 125.818 122.820 0.505 0.000 2.565 341 A HA 0.205 4.525 4.320 -0.000 0.000 0.237 341 A C 1.274 179.031 177.584 0.288 0.000 1.053 341 A CA 0.222 52.464 52.037 0.342 0.000 0.755 341 A CB 0.305 19.485 19.000 0.300 0.000 0.980 341 A HN 1.000 nan 8.150 nan 0.000 0.506 342 K N 1.556 121.959 120.400 0.005 0.000 2.283 342 K HA -0.149 4.170 4.320 -0.000 0.000 0.202 342 K C 1.904 178.434 176.600 -0.117 0.000 1.048 342 K CA 1.622 57.890 56.287 -0.032 0.000 0.948 342 K CB -0.096 32.368 32.500 -0.059 0.000 0.742 342 K HN 0.852 nan 8.250 nan 0.000 0.458 343 K N -0.749 119.610 120.400 -0.068 0.000 2.360 343 K HA -0.178 4.142 4.320 -0.000 0.000 0.201 343 K C 1.240 177.688 176.600 -0.252 0.000 1.046 343 K CA 1.424 57.664 56.287 -0.078 0.000 0.940 343 K CB -0.334 32.012 32.500 -0.257 0.000 0.748 343 K HN 0.230 nan 8.250 nan 0.000 0.465 344 W N 1.433 122.657 121.300 -0.128 0.000 2.519 344 W HA 0.105 4.765 4.660 0.000 0.000 0.266 344 W C 1.808 178.121 176.519 -0.342 0.000 1.253 344 W CA -0.016 57.195 57.345 -0.224 0.000 1.274 344 W CB -0.040 29.244 29.460 -0.292 0.000 1.114 344 W HN -0.047 nan 8.180 nan 0.000 0.596 345 L N -0.871 120.133 121.223 -0.365 0.000 1.961 345 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 345 L C 1.999 178.521 176.870 -0.579 0.000 1.072 345 L CA 1.409 55.775 54.840 -0.790 0.000 0.749 345 L CB -1.083 39.973 42.059 -1.672 0.000 0.889 345 L HN -0.065 nan 8.230 nan 0.000 0.432 346 F N -0.793 119.076 119.950 -0.136 0.000 2.664 346 F HA -0.095 4.432 4.527 -0.000 0.000 0.297 346 F C 2.487 178.296 175.800 0.015 0.000 1.164 346 F CA 0.654 58.677 58.000 0.039 0.000 1.472 346 F CB -0.674 38.347 39.000 0.036 0.000 1.108 346 F HN 0.008 nan 8.300 nan 0.000 0.596 347 R N -0.425 120.117 120.500 0.069 0.000 2.164 347 R HA 0.327 4.666 4.340 -0.000 0.000 0.198 347 R C 1.836 178.173 176.300 0.062 0.000 1.028 347 R CA 0.954 57.087 56.100 0.056 0.000 1.083 347 R CB 0.034 30.323 30.300 -0.017 0.000 1.026 347 R HN 0.230 nan 8.270 nan 0.000 0.514 348 A N -0.048 122.787 122.820 0.025 0.000 2.382 348 A HA 0.427 4.747 4.320 -0.000 0.000 0.228 348 A C 0.408 177.993 177.584 0.001 0.000 1.217 348 A CA 0.553 52.565 52.037 -0.041 0.000 0.923 348 A CB 0.805 19.685 19.000 -0.200 0.000 0.979 348 A HN 0.409 nan 8.150 nan 0.000 0.515 349 G N -2.085 106.756 108.800 0.068 0.000 2.555 349 G HA2 0.010 3.970 3.960 -0.000 0.000 0.686 349 G HA3 0.010 3.970 3.960 -0.000 0.000 0.686 349 G C -0.527 174.518 174.900 0.241 0.000 1.275 349 G CA -0.504 44.730 45.100 0.222 0.000 0.871 349 G HN 0.435 nan 8.290 nan 0.000 0.603 350 W N -0.676 120.710 121.300 0.143 0.000 2.342 350 W HA 0.781 5.441 4.660 -0.000 0.000 0.530 350 W C 0.771 177.264 176.519 -0.044 0.000 1.880 350 W CA -0.835 56.553 57.345 0.071 0.000 2.052 350 W CB -0.154 29.368 29.460 0.103 0.000 2.206 350 W HN 0.397 nan 8.180 nan 0.000 0.741 351 F N 1.686 121.732 119.950 0.159 0.000 2.443 351 F HA 0.032 4.559 4.527 -0.001 0.000 0.353 351 F C 0.975 176.897 175.800 0.202 0.000 1.101 351 F CA 0.023 58.053 58.000 0.050 0.000 1.226 351 F CB 0.178 39.154 39.000 -0.040 0.000 1.140 351 F HN -0.033 nan 8.300 nan 0.000 0.557 352 D N 4.026 124.665 120.400 0.398 0.000 2.342 352 D HA -0.021 4.619 4.640 -0.000 0.000 0.260 352 D C 0.436 177.018 176.300 0.470 0.000 1.278 352 D CA 0.228 54.488 54.000 0.434 0.000 0.910 352 D CB 0.465 41.607 40.800 0.569 0.000 1.079 352 D HN 0.659 nan 8.370 nan 0.000 0.496 353 E N 2.341 122.737 120.200 0.327 0.000 2.438 353 E HA -0.090 4.260 4.350 -0.000 0.000 0.192 353 E C 0.870 177.610 176.600 0.234 0.000 1.110 353 E CA 0.107 56.666 56.400 0.265 0.000 0.893 353 E CB 0.362 30.182 29.700 0.199 0.000 0.990 353 E HN 0.557 nan 8.360 nan 0.000 0.490 354 E N -0.242 120.101 120.200 0.240 0.000 2.447 354 E HA 0.013 4.363 4.350 -0.000 0.000 0.195 354 E C -0.341 176.324 176.600 0.107 0.000 1.028 354 E CA -0.149 56.317 56.400 0.109 0.000 0.876 354 E CB 0.336 30.017 29.700 -0.032 0.000 0.885 354 E HN 0.103 nan 8.360 nan 0.000 0.500 355 F N 0.360 120.453 119.950 0.238 0.000 2.509 355 F HA 0.080 4.607 4.527 -0.000 0.000 0.350 355 F C 1.377 177.319 175.800 0.236 0.000 1.220 355 F CA 0.293 58.488 58.000 0.326 0.000 1.151 355 F CB 0.892 40.039 39.000 0.245 0.000 1.379 355 F HN -0.074 nan 8.300 nan 0.000 0.610 356 T N 0.136 114.870 114.554 0.301 0.000 3.138 356 T HA 0.027 4.377 4.350 -0.000 0.000 0.245 356 T C 1.127 175.485 174.700 -0.569 0.000 0.982 356 T CA 0.485 62.524 62.100 -0.100 0.000 1.134 356 T CB -0.100 68.697 68.868 -0.118 0.000 1.032 356 T HN 0.524 nan 8.240 nan 0.000 0.442 357 H N 0.063 118.660 119.070 -0.788 0.000 2.505 357 H HA 0.384 4.940 4.556 -0.000 0.000 0.289 357 H C -1.189 173.487 175.328 -1.085 0.000 1.052 357 H CA -0.351 55.059 56.048 -1.064 0.000 1.156 357 H CB 0.037 29.033 29.762 -1.277 0.000 1.507 357 H HN 0.392 nan 8.280 nan 0.000 0.548 358 W N -1.056 120.228 121.300 -0.027 0.000 3.256 358 W HA 0.645 5.305 4.660 -0.001 0.000 0.324 358 W C 0.232 176.833 176.519 0.138 0.000 1.196 358 W CA -1.981 55.383 57.345 0.032 0.000 1.206 358 W CB 0.295 29.772 29.460 0.029 0.000 1.385 358 W HN -0.031 nan 8.180 nan 0.000 0.522 359 G N 0.039 109.029 108.800 0.317 0.000 2.557 359 G HA2 0.544 4.504 3.960 -0.000 0.000 0.292 359 G HA3 0.544 4.504 3.960 -0.000 0.000 0.292 359 G C 0.671 175.727 174.900 0.261 0.000 1.237 359 G CA -0.232 45.008 45.100 0.232 0.000 0.978 359 G HN 1.829 nan 8.290 nan 0.000 0.498 360 G N -1.157 107.678 108.800 0.059 0.000 2.192 360 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.193 360 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.193 360 G C 0.911 175.551 174.900 -0.433 0.000 0.999 360 G CA 0.877 45.933 45.100 -0.075 0.000 0.659 360 G HN 0.744 nan 8.290 nan 0.000 0.503 361 E N 1.845 121.668 120.200 -0.629 0.000 2.130 361 E HA -0.092 4.258 4.350 -0.000 0.000 0.196 361 E C 1.819 178.407 176.600 -0.019 0.000 0.998 361 E CA 2.041 58.045 56.400 -0.660 0.000 0.806 361 E CB -0.458 29.162 29.700 -0.132 0.000 0.738 361 E HN 0.636 nan 8.360 nan 0.000 0.459 362 D N 0.643 121.152 120.400 0.182 0.000 2.091 362 D HA -0.148 4.492 4.640 -0.000 0.000 0.199 362 D C 1.323 177.861 176.300 0.398 0.000 0.980 362 D CA 1.357 55.625 54.000 0.446 0.000 0.831 362 D CB -0.853 40.190 40.800 0.405 0.000 0.987 362 D HN 0.255 nan 8.370 nan 0.000 0.460 363 N N 0.414 119.273 118.700 0.265 0.000 2.036 363 N HA -0.206 4.534 4.740 -0.000 0.000 0.195 363 N C 1.699 177.362 175.510 0.255 0.000 1.037 363 N CA 1.544 54.780 53.050 0.310 0.000 0.855 363 N CB -0.152 38.488 38.487 0.255 0.000 1.033 363 N HN 0.166 nan 8.380 nan 0.000 0.423 364 E N 0.390 120.663 120.200 0.123 0.000 2.110 364 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 364 E C 1.625 178.282 176.600 0.095 0.000 0.988 364 E CA 0.836 57.311 56.400 0.126 0.000 0.804 364 E CB -0.136 29.617 29.700 0.090 0.000 0.745 364 E HN 0.370 nan 8.360 nan 0.000 0.458 365 F N 0.660 120.549 119.950 -0.103 0.000 2.206 365 F HA 0.064 4.591 4.527 -0.000 0.000 0.298 365 F C 2.069 177.700 175.800 -0.282 0.000 1.090 365 F CA 1.658 59.499 58.000 -0.265 0.000 1.323 365 F CB -0.542 38.139 39.000 -0.532 0.000 1.028 365 F HN 0.017 nan 8.300 nan 0.000 0.492 366 G N -1.081 107.564 108.800 -0.258 0.000 2.403 366 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.216 366 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.216 366 G C 1.588 176.265 174.900 -0.371 0.000 1.154 366 G CA 0.783 45.626 45.100 -0.429 0.000 0.784 366 G HN 0.502 nan 8.290 nan 0.000 0.538 367 Y N 1.522 121.498 120.300 -0.539 0.000 2.207 367 Y HA -0.084 4.466 4.550 -0.000 0.000 0.287 367 Y C 2.815 178.446 175.900 -0.450 0.000 1.156 367 Y CA 1.758 59.316 58.100 -0.902 0.000 1.182 367 Y CB -0.214 37.718 38.460 -0.881 0.000 0.979 367 Y HN 0.091 nan 8.280 nan 0.000 0.521 368 R N -0.775 119.312 120.500 -0.688 0.000 2.066 368 R HA -0.120 4.220 4.340 -0.000 0.000 0.232 368 R C 2.104 178.051 176.300 -0.588 0.000 1.131 368 R CA 1.396 57.107 56.100 -0.648 0.000 0.955 368 R CB -0.547 29.525 30.300 -0.380 0.000 0.851 368 R HN 0.294 nan 8.270 nan 0.000 0.432 369 L N -0.139 120.677 121.223 -0.680 0.000 2.079 369 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 369 L C 2.083 178.630 176.870 -0.538 0.000 1.081 369 L CA 1.644 56.038 54.840 -0.743 0.000 0.752 369 L CB -0.780 40.636 42.059 -1.071 0.000 0.896 369 L HN 0.198 nan 8.230 nan 0.000 0.433 370 Y N 0.157 120.197 120.300 -0.433 0.000 2.181 370 Y HA -0.289 4.261 4.550 -0.000 0.000 0.288 370 Y C 2.867 178.566 175.900 -0.334 0.000 1.146 370 Y CA 1.882 59.827 58.100 -0.258 0.000 1.164 370 Y CB -0.058 38.250 38.460 -0.253 0.000 0.982 370 Y HN 0.102 nan 8.280 nan 0.000 0.515 371 R N 0.267 120.475 120.500 -0.485 0.000 2.189 371 R HA -0.118 4.222 4.340 -0.000 0.000 0.218 371 R C 1.385 177.514 176.300 -0.285 0.000 1.074 371 R CA 1.291 57.158 56.100 -0.388 0.000 0.991 371 R CB -0.058 30.011 30.300 -0.385 0.000 0.883 371 R HN 0.290 nan 8.270 nan 0.000 0.457 372 E N -0.601 119.448 120.200 -0.252 0.000 2.481 372 E HA 0.037 4.387 4.350 -0.000 0.000 0.195 372 E C 0.881 177.487 176.600 0.009 0.000 1.047 372 E CA 0.813 57.178 56.400 -0.058 0.000 0.867 372 E CB 0.819 30.565 29.700 0.076 0.000 0.858 372 E HN 0.625 nan 8.360 nan 0.000 0.513 373 G N 0.879 109.566 108.800 -0.188 0.000 2.179 373 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.220 373 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.220 373 G C 0.477 175.286 174.900 -0.153 0.000 0.990 373 G CA 0.032 45.055 45.100 -0.129 0.000 0.646 373 G HN 0.349 nan 8.290 nan 0.000 0.517 374 C N 1.405 120.346 119.300 -0.599 0.000 2.644 374 C HA 0.667 5.127 4.460 -0.000 0.000 0.417 374 C C 1.025 175.655 174.990 -0.600 0.000 1.304 374 C CA -0.516 57.888 59.018 -1.023 0.000 2.035 374 C CB -0.848 25.543 27.740 -2.247 0.000 2.673 374 C HN 0.330 nan 8.230 nan 0.000 0.602 375 Y N 2.659 122.646 120.300 -0.522 0.000 2.458 375 Y HA 0.639 5.189 4.550 -0.000 0.000 0.322 375 Y C 0.128 175.698 175.900 -0.550 0.000 1.259 375 Y CA -0.532 57.433 58.100 -0.226 0.000 1.302 375 Y CB 0.949 39.431 38.460 0.037 0.000 1.314 375 Y HN 0.573 nan 8.280 nan 0.000 0.509 376 F N 0.390 120.425 119.950 0.142 0.000 2.576 376 F HA 0.682 5.209 4.527 0.000 0.000 0.313 376 F C -0.438 175.351 175.800 -0.017 0.000 1.078 376 F CA -1.036 56.993 58.000 0.049 0.000 0.921 376 F CB 2.260 41.307 39.000 0.079 0.000 1.232 376 F HN 0.232 nan 8.300 nan 0.000 0.459 377 R N 1.205 121.717 120.500 0.020 0.000 2.560 377 R HA 0.412 4.752 4.340 -0.000 0.000 0.267 377 R C -1.727 174.432 176.300 -0.235 0.000 1.150 377 R CA -0.537 55.402 56.100 -0.268 0.000 0.997 377 R CB 1.616 31.421 30.300 -0.824 0.000 1.250 377 R HN 0.787 nan 8.270 nan 0.000 0.433 378 S N 2.067 117.546 115.700 -0.369 0.000 2.565 378 S HA 0.497 4.967 4.470 -0.000 0.000 0.274 378 S C -0.092 174.287 174.600 -0.368 0.000 1.309 378 S CA -0.649 57.211 58.200 -0.566 0.000 1.043 378 S CB 1.795 64.149 63.200 -1.409 0.000 0.939 378 S HN 0.314 nan 8.310 nan 0.000 0.504 379 V N 3.254 122.988 119.914 -0.300 0.000 2.444 379 V HA 0.292 4.412 4.120 -0.000 0.000 0.294 379 V C 0.870 176.817 176.094 -0.244 0.000 1.022 379 V CA -0.704 61.444 62.300 -0.254 0.000 0.850 379 V CB 1.408 33.062 31.823 -0.281 0.000 0.992 379 V HN 0.947 nan 8.190 nan 0.000 0.426 380 E N 3.896 123.990 120.200 -0.177 0.000 2.110 380 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 380 E C 2.079 178.594 176.600 -0.141 0.000 0.988 380 E CA 1.424 57.749 56.400 -0.125 0.000 0.804 380 E CB -0.043 29.612 29.700 -0.076 0.000 0.745 380 E HN 0.882 nan 8.360 nan 0.000 0.458 381 G N 0.589 109.283 108.800 -0.176 0.000 2.848 381 G HA2 0.060 4.020 3.960 -0.000 0.000 0.208 381 G HA3 0.060 4.020 3.960 -0.000 0.000 0.208 381 G C 1.156 175.903 174.900 -0.254 0.000 1.152 381 G CA 0.501 45.497 45.100 -0.173 0.000 0.789 381 G HN 0.280 nan 8.290 nan 0.000 0.531 382 A N 0.011 122.597 122.820 -0.391 0.000 2.507 382 A HA 0.602 4.922 4.320 -0.000 0.000 0.270 382 A C 0.754 178.316 177.584 -0.038 0.000 1.318 382 A CA -0.450 51.250 52.037 -0.562 0.000 0.924 382 A CB -0.221 17.941 19.000 -1.396 0.000 1.061 382 A HN 0.302 nan 8.150 nan 0.000 0.516 383 M N 0.987 120.551 119.600 -0.061 0.000 2.252 383 M HA 0.413 4.893 4.480 -0.000 0.000 0.329 383 M C -0.076 176.130 176.300 -0.158 0.000 1.101 383 M CA 0.144 55.367 55.300 -0.129 0.000 1.117 383 M CB 0.207 32.676 32.600 -0.218 0.000 1.563 383 M HN 0.480 nan 8.290 nan 0.000 0.445 384 A N 4.274 126.909 122.820 -0.307 0.000 2.515 384 A HA 0.654 4.974 4.320 -0.000 0.000 0.298 384 A C -2.008 175.284 177.584 -0.486 0.000 1.059 384 A CA -0.621 51.204 52.037 -0.353 0.000 0.698 384 A CB 0.850 19.723 19.000 -0.212 0.000 1.289 384 A HN 0.733 nan 8.150 nan 0.000 0.404 385 Y N 2.051 122.282 120.300 -0.116 0.000 2.404 385 Y HA 0.290 4.840 4.550 -0.000 0.000 0.344 385 Y C 0.686 176.551 175.900 -0.058 0.000 0.970 385 Y CA -0.078 57.977 58.100 -0.075 0.000 1.180 385 Y CB 0.628 39.049 38.460 -0.064 0.000 1.138 385 Y HN 0.719 nan 8.280 nan 0.000 0.510 386 H N 4.680 123.702 119.070 -0.080 0.000 3.017 386 H HA 0.156 4.712 4.556 0.000 0.000 0.276 386 H C -0.319 175.035 175.328 0.043 0.000 1.062 386 H CA -0.045 55.952 56.048 -0.085 0.000 1.486 386 H CB 0.257 29.849 29.762 -0.282 0.000 1.507 386 H HN 0.770 nan 8.280 nan 0.000 0.508 387 Q N 2.724 122.744 119.800 0.366 0.000 2.318 387 Q HA 0.181 4.521 4.340 -0.000 0.000 0.222 387 Q C -0.289 175.889 176.000 0.296 0.000 1.003 387 Q CA -0.418 55.536 55.803 0.252 0.000 0.936 387 Q CB 0.973 29.787 28.738 0.126 0.000 1.204 387 Q HN 0.546 nan 8.270 nan 0.000 0.524 388 E N 2.134 122.443 120.200 0.183 0.000 2.145 388 E HA 0.267 4.617 4.350 -0.000 0.000 0.270 388 E C -2.346 174.328 176.600 0.123 0.000 0.906 388 E CA -2.080 54.404 56.400 0.140 0.000 0.761 388 E CB 0.886 30.646 29.700 0.101 0.000 1.116 388 E HN 0.257 nan 8.360 nan 0.000 0.408 389 P HA 0.089 nan 4.420 nan 0.000 0.270 389 P C -2.038 175.309 177.300 0.078 0.000 1.223 389 P CA -0.913 62.248 63.100 0.102 0.000 0.785 389 P CB 0.284 32.051 31.700 0.113 0.000 0.923 390 P HA 0.170 nan 4.420 nan 0.000 0.255 390 P C 0.571 177.899 177.300 0.047 0.000 1.427 390 P CA 0.311 63.443 63.100 0.053 0.000 0.863 390 P CB -0.373 31.355 31.700 0.046 0.000 1.444 406 V N 2.276 122.219 119.914 0.048 0.000 5.658 406 V HA -0.193 3.927 4.120 -0.000 0.000 0.312 406 V C 1.100 177.147 176.094 -0.078 0.000 0.480 406 V CA 1.363 63.697 62.300 0.056 0.000 0.684 406 V CB -1.745 30.112 31.823 0.057 0.000 0.426 406 V HN 0.760 nan 8.190 nan 0.000 1.241 407 Q N -1.012 118.702 119.800 -0.142 0.000 2.576 407 Q HA -0.066 4.274 4.340 -0.000 0.000 0.219 407 Q C 1.693 177.517 176.000 -0.294 0.000 0.976 407 Q CA 0.559 56.248 55.803 -0.190 0.000 0.977 407 Q CB 0.135 28.768 28.738 -0.175 0.000 0.988 407 Q HN 0.771 nan 8.270 nan 0.000 0.555 408 L N -0.823 120.173 121.223 -0.379 0.000 2.249 408 L HA -0.038 4.302 4.340 -0.000 0.000 0.207 408 L C 1.651 178.423 176.870 -0.163 0.000 1.090 408 L CA 1.103 55.661 54.840 -0.471 0.000 0.802 408 L CB 0.072 41.587 42.059 -0.907 0.000 0.947 408 L HN 0.272 nan 8.230 nan 0.000 0.453 409 L N -1.667 119.529 121.223 -0.046 0.000 2.131 409 L HA -0.141 4.199 4.340 -0.000 0.000 0.206 409 L C 2.478 179.338 176.870 -0.017 0.000 1.087 409 L CA 0.549 55.397 54.840 0.012 0.000 0.767 409 L CB -0.356 41.619 42.059 -0.141 0.000 0.917 409 L HN 0.245 nan 8.230 nan 0.000 0.441 410 Q N 0.034 119.801 119.800 -0.055 0.000 2.045 410 Q HA -0.250 4.090 4.340 -0.000 0.000 0.206 410 Q C 2.291 178.262 176.000 -0.048 0.000 0.991 410 Q CA 1.847 57.624 55.803 -0.044 0.000 0.851 410 Q CB -0.108 28.589 28.738 -0.068 0.000 0.911 410 Q HN 0.329 nan 8.270 nan 0.000 0.418 411 Q N -0.291 119.461 119.800 -0.080 0.000 2.167 411 Q HA -0.076 4.264 4.340 -0.000 0.000 0.202 411 Q C 1.591 177.572 176.000 -0.032 0.000 0.970 411 Q CA 1.322 57.082 55.803 -0.072 0.000 0.855 411 Q CB 0.104 28.767 28.738 -0.125 0.000 0.911 411 Q HN 0.421 nan 8.270 nan 0.000 0.438 412 K N -0.360 120.033 120.400 -0.012 0.000 2.354 412 K HA 0.155 4.475 4.320 -0.000 0.000 0.194 412 K C 0.025 176.628 176.600 0.005 0.000 1.045 412 K CA 0.112 56.427 56.287 0.046 0.000 1.026 412 K CB 1.311 33.890 32.500 0.132 0.000 0.866 412 K HN -0.140 nan 8.250 nan 0.000 0.530 413 V N 3.849 123.716 119.914 -0.077 0.000 2.289 413 V HA 0.115 4.235 4.120 -0.000 0.000 0.272 413 V C -1.855 174.072 176.094 -0.278 0.000 1.026 413 V CA -1.276 60.806 62.300 -0.363 0.000 0.807 413 V CB 1.340 33.052 31.823 -0.185 0.000 1.044 413 V HN 0.019 nan 8.190 nan 0.000 0.443 414 P HA -0.170 nan 4.420 nan 0.000 0.218 414 P C 1.473 178.720 177.300 -0.088 0.000 1.152 414 P CA 0.953 63.998 63.100 -0.092 0.000 0.826 414 P CB 0.404 32.121 31.700 0.028 0.000 0.790 415 Y N 0.041 120.089 120.300 -0.421 0.000 2.139 415 Y HA -0.219 4.331 4.550 -0.000 0.000 0.282 415 Y C 2.019 177.845 175.900 -0.124 0.000 1.179 415 Y CA 1.839 59.690 58.100 -0.416 0.000 1.161 415 Y CB -0.796 37.171 38.460 -0.823 0.000 0.970 415 Y HN -0.067 nan 8.280 nan 0.000 0.511 416 F N -2.964 116.685 119.950 -0.501 0.000 2.455 416 F HA 0.131 4.658 4.527 -0.000 0.000 0.278 416 F C 0.981 176.515 175.800 -0.443 0.000 0.887 416 F CA -0.160 57.459 58.000 -0.635 0.000 1.104 416 F CB -0.612 37.897 39.000 -0.818 0.000 0.949 416 F HN -0.191 nan 8.300 nan 0.000 0.750 417 Y N 1.383 121.595 120.300 -0.147 0.000 2.553 417 Y HA 0.212 4.761 4.550 -0.000 0.000 0.303 417 Y C 0.596 176.370 175.900 -0.210 0.000 1.194 417 Y CA 0.191 58.163 58.100 -0.214 0.000 1.305 417 Y CB -0.440 38.005 38.460 -0.025 0.000 1.045 417 Y HN -0.113 nan 8.280 nan 0.000 0.514 418 R N 1.623 122.065 120.500 -0.097 0.000 2.275 418 R HA 0.279 4.619 4.340 -0.000 0.000 0.326 418 R C -0.692 175.549 176.300 -0.097 0.000 0.973 418 R CA -0.843 55.215 56.100 -0.070 0.000 0.854 418 R CB 0.394 30.673 30.300 -0.035 0.000 1.156 418 R HN -0.202 nan 8.270 nan 0.000 0.487 419 K N 3.588 123.933 120.400 -0.091 0.000 2.205 419 K HA 0.153 4.473 4.320 -0.000 0.000 0.279 419 K C -0.576 175.997 176.600 -0.045 0.000 1.027 419 K CA -0.377 55.861 56.287 -0.082 0.000 0.932 419 K CB 0.956 33.405 32.500 -0.084 0.000 1.032 419 K HN 0.429 nan 8.250 nan 0.000 0.466 420 K N 2.729 123.111 120.400 -0.030 0.000 2.336 420 K HA -0.010 4.310 4.320 -0.000 0.000 0.262 420 K C -0.582 176.011 176.600 -0.012 0.000 0.992 420 K CA 0.170 56.451 56.287 -0.010 0.000 0.927 420 K CB 0.370 32.873 32.500 0.004 0.000 0.956 420 K HN 0.868 nan 8.250 nan 0.000 0.495 421 E N 2.626 122.822 120.200 -0.006 0.000 2.288 421 E HA 0.286 4.636 4.350 -0.000 0.000 0.268 421 E C -1.176 175.424 176.600 -0.001 0.000 0.885 421 E CA -1.144 55.251 56.400 -0.009 0.000 0.767 421 E CB 1.676 31.367 29.700 -0.015 0.000 1.220 421 E HN 0.346 nan 8.360 nan 0.000 0.427 422 K N 1.295 121.696 120.400 0.002 0.000 2.355 422 K HA 0.081 4.401 4.320 -0.000 0.000 0.270 422 K C 0.870 177.469 176.600 -0.002 0.000 1.003 422 K CA -0.262 56.032 56.287 0.012 0.000 0.957 422 K CB 0.558 33.068 32.500 0.015 0.000 0.939 422 K HN 0.438 nan 8.250 nan 0.000 0.482 423 I N 1.904 122.475 120.570 0.001 0.000 2.657 423 I HA -0.250 3.920 4.170 -0.000 0.000 0.261 423 I C 1.768 177.863 176.117 -0.037 0.000 1.212 423 I CA 1.257 62.526 61.300 -0.052 0.000 1.453 423 I CB -0.650 37.288 38.000 -0.102 0.000 1.092 423 I HN 0.556 nan 8.210 nan 0.000 0.452 424 E N 0.815 121.011 120.200 -0.007 0.000 2.160 424 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 424 E C 1.813 178.404 176.600 -0.015 0.000 0.991 424 E CA 1.715 58.112 56.400 -0.005 0.000 0.810 424 E CB -0.472 29.231 29.700 0.005 0.000 0.742 424 E HN 0.702 nan 8.360 nan 0.000 0.466 425 S N -1.383 114.306 115.700 -0.018 0.000 2.817 425 S HA 0.480 4.950 4.470 -0.000 0.000 0.262 425 S C 0.630 175.214 174.600 -0.027 0.000 1.051 425 S CA -0.068 58.119 58.200 -0.021 0.000 1.185 425 S CB 0.375 63.565 63.200 -0.016 0.000 1.152 425 S HN 0.255 nan 8.310 nan 0.000 0.653 426 A N 2.398 125.199 122.820 -0.032 0.000 2.498 426 A HA 0.575 4.895 4.320 -0.000 0.000 0.239 426 A C 0.624 178.184 177.584 -0.039 0.000 1.068 426 A CA 0.493 52.510 52.037 -0.034 0.000 0.766 426 A CB -0.080 18.896 19.000 -0.040 0.000 1.003 426 A HN 0.850 nan 8.150 nan 0.000 0.497 427 T N 0.030 114.565 114.554 -0.032 0.000 2.903 427 T HA 0.591 4.941 4.350 -0.000 0.000 0.299 427 T C -0.290 174.398 174.700 -0.021 0.000 1.093 427 T CA -0.850 61.232 62.100 -0.030 0.000 1.002 427 T CB 0.657 69.507 68.868 -0.029 0.000 1.127 427 T HN 0.494 nan 8.240 nan 0.000 0.488 428 L N 2.279 123.492 121.223 -0.016 0.000 2.540 428 L HA 0.239 4.579 4.340 -0.000 0.000 0.276 428 L C 0.774 177.642 176.870 -0.004 0.000 1.212 428 L CA -0.075 54.764 54.840 -0.002 0.000 0.893 428 L CB 0.285 42.347 42.059 0.006 0.000 1.138 428 L HN 0.508 nan 8.230 nan 0.000 0.491 429 K N 2.970 123.373 120.400 0.005 0.000 2.123 429 K HA 0.222 4.542 4.320 -0.000 0.000 0.259 429 K C 0.581 177.187 176.600 0.009 0.000 0.960 429 K CA -0.803 55.484 56.287 -0.000 0.000 0.872 429 K CB 1.889 34.392 32.500 0.006 0.000 1.079 429 K HN 0.356 nan 8.250 nan 0.000 0.440 430 R N 0.861 121.360 120.500 -0.002 0.000 2.122 430 R HA -0.095 4.245 4.340 -0.000 0.000 0.236 430 R C 0.366 176.686 176.300 0.034 0.000 1.129 430 R CA 1.473 57.577 56.100 0.007 0.000 0.925 430 R CB -0.276 30.017 30.300 -0.011 0.000 0.850 430 R HN 0.358 nan 8.270 nan 0.000 0.431 431 V N 3.591 123.531 119.914 0.042 0.000 2.313 431 V HA 0.311 4.430 4.120 -0.000 0.000 0.278 431 V C -2.115 174.020 176.094 0.069 0.000 1.017 431 V CA -2.018 60.325 62.300 0.072 0.000 0.823 431 V CB 1.343 33.228 31.823 0.104 0.000 1.010 431 V HN 0.340 nan 8.190 nan 0.000 0.443 432 P HA 0.019 nan 4.420 nan 0.000 0.270 432 P C 0.500 177.869 177.300 0.114 0.000 1.227 432 P CA -0.172 62.977 63.100 0.082 0.000 0.788 432 P CB 1.542 33.288 31.700 0.077 0.000 0.926 433 L N 2.322 123.623 121.223 0.131 0.000 2.130 433 L HA 0.119 4.459 4.340 -0.000 0.000 0.200 433 L C 0.559 177.581 176.870 0.254 0.000 1.075 433 L CA 1.579 56.541 54.840 0.205 0.000 0.768 433 L CB -0.255 41.927 42.059 0.205 0.000 0.933 433 L HN 0.097 nan 8.230 nan 0.000 0.451 434 V N -0.109 119.922 119.914 0.194 0.000 2.667 434 V HA 0.554 4.674 4.120 -0.000 0.000 0.308 434 V C -0.368 175.789 176.094 0.106 0.000 1.048 434 V CA -0.563 61.844 62.300 0.179 0.000 0.928 434 V CB 1.607 33.534 31.823 0.173 0.000 1.004 434 V HN 0.238 nan 8.190 nan 0.000 0.444 435 S N 4.676 120.417 115.700 0.068 0.000 2.707 435 S HA 0.572 5.042 4.470 -0.000 0.000 0.303 435 S C -0.799 173.824 174.600 0.038 0.000 1.132 435 S CA -0.425 57.798 58.200 0.038 0.000 1.046 435 S CB 1.049 64.251 63.200 0.004 0.000 1.004 435 S HN 0.438 nan 8.310 nan 0.000 0.483 436 I N 4.516 125.120 120.570 0.056 0.000 2.304 436 I HA 0.256 4.426 4.170 -0.000 0.000 0.291 436 I C -0.131 176.022 176.117 0.061 0.000 1.018 436 I CA -0.959 60.376 61.300 0.059 0.000 1.260 436 I CB -0.163 37.876 38.000 0.066 0.000 1.390 436 I HN 0.709 nan 8.210 nan 0.000 0.475 437 Y N 6.923 127.226 120.300 0.004 0.000 2.323 437 Y HA 0.816 5.366 4.550 0.000 0.000 0.331 437 Y C -0.656 175.266 175.900 0.036 0.000 1.092 437 Y CA -1.088 57.011 58.100 -0.002 0.000 1.150 437 Y CB 1.036 39.471 38.460 -0.041 0.000 1.200 437 Y HN 0.375 nan 8.280 nan 0.000 0.472 438 I N 6.623 127.216 120.570 0.038 0.000 2.439 438 I HA 0.349 4.518 4.170 -0.000 0.000 0.285 438 I C -2.644 173.529 176.117 0.094 0.000 1.021 438 I CA -2.318 58.969 61.300 -0.023 0.000 1.091 438 I CB 2.495 40.489 38.000 -0.011 0.000 1.242 438 I HN 0.493 nan 8.210 nan 0.000 0.439 439 P HA 0.342 nan 4.420 nan 0.000 0.284 439 P C -0.877 176.481 177.300 0.097 0.000 1.432 439 P CA -0.189 62.979 63.100 0.114 0.000 0.929 439 P CB 1.334 33.099 31.700 0.109 0.000 1.158 440 A N 4.487 127.368 122.820 0.101 0.000 2.304 440 A HA 0.607 4.927 4.320 -0.000 0.000 0.323 440 A C -1.571 176.095 177.584 0.136 0.000 1.195 440 A CA -0.674 51.418 52.037 0.092 0.000 0.826 440 A CB 0.870 19.900 19.000 0.049 0.000 1.184 440 A HN 0.551 nan 8.150 nan 0.000 0.496 441 Y N 2.747 123.050 120.300 0.005 0.000 2.361 441 Y HA 0.339 4.889 4.550 -0.000 0.000 0.328 441 Y C -0.078 175.817 175.900 -0.009 0.000 1.044 441 Y CA -0.761 57.341 58.100 0.004 0.000 1.085 441 Y CB 1.222 39.684 38.460 0.003 0.000 1.194 441 Y HN 0.812 nan 8.280 nan 0.000 0.438 442 N N 3.406 121.716 118.700 -0.650 0.000 2.686 442 N HA -0.203 4.536 4.740 -0.000 0.000 0.261 442 N C -0.341 175.089 175.510 -0.134 0.000 1.001 442 N CA 1.467 54.276 53.050 -0.402 0.000 0.764 442 N CB -1.401 36.818 38.487 -0.447 0.000 0.898 442 N HN 0.680 nan 8.380 nan 0.000 0.544 443 C N -3.153 116.096 119.300 -0.085 0.000 2.660 443 C HA 0.480 4.940 4.460 -0.000 0.000 0.265 443 C C 2.102 177.134 174.990 0.069 0.000 1.573 443 C CA -0.350 58.660 59.018 -0.015 0.000 1.751 443 C CB -0.246 27.478 27.740 -0.027 0.000 3.033 443 C HN 0.465 nan 8.230 nan 0.000 0.511 444 S N 2.283 118.006 115.700 0.039 0.000 2.374 444 S HA -0.198 4.272 4.470 -0.000 0.000 0.227 444 S C 1.708 176.331 174.600 0.039 0.000 1.037 444 S CA 1.954 60.164 58.200 0.017 0.000 1.024 444 S CB -0.136 63.060 63.200 -0.007 0.000 0.861 444 S HN 0.915 nan 8.310 nan 0.000 0.456 445 K N -1.176 119.303 120.400 0.132 0.000 2.681 445 K HA 0.222 4.542 4.320 -0.000 0.000 0.211 445 K C -0.207 176.344 176.600 -0.081 0.000 1.075 445 K CA -0.166 56.123 56.287 0.003 0.000 1.141 445 K CB 0.163 32.612 32.500 -0.085 0.000 0.896 445 K HN 0.397 nan 8.250 nan 0.000 0.470 446 Y N -0.891 119.378 120.300 -0.051 0.000 2.728 446 Y HA 0.106 4.656 4.550 -0.000 0.000 0.267 446 Y C 1.717 177.585 175.900 -0.053 0.000 1.169 446 Y CA -0.987 57.087 58.100 -0.043 0.000 1.168 446 Y CB -0.075 38.387 38.460 0.004 0.000 1.370 446 Y HN -0.006 nan 8.280 nan 0.000 0.482 447 I N 0.660 121.315 120.570 0.142 0.000 2.147 447 I HA -0.312 3.858 4.170 -0.000 0.000 0.245 447 I C 1.896 178.031 176.117 0.029 0.000 1.059 447 I CA 1.695 63.028 61.300 0.055 0.000 1.320 447 I CB -0.533 37.476 38.000 0.015 0.000 1.021 447 I HN 0.050 nan 8.210 nan 0.000 0.415 448 V N 1.542 121.437 119.914 -0.033 0.000 2.295 448 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 448 V C 2.712 178.810 176.094 0.007 0.000 1.049 448 V CA 2.282 64.560 62.300 -0.036 0.000 1.024 448 V CB -1.169 30.512 31.823 -0.236 0.000 0.648 448 V HN 0.503 nan 8.190 nan 0.000 0.447 449 R N 0.066 120.535 120.500 -0.053 0.000 2.091 449 R HA -0.238 4.102 4.340 -0.000 0.000 0.238 449 R C 2.459 178.723 176.300 -0.060 0.000 1.136 449 R CA 2.291 58.329 56.100 -0.104 0.000 0.959 449 R CB -1.093 29.085 30.300 -0.203 0.000 0.856 449 R HN 0.609 nan 8.270 nan 0.000 0.437 450 C N 0.249 119.551 119.300 0.003 0.000 2.413 450 C HA -0.073 4.387 4.460 -0.000 0.000 0.277 450 C C 2.756 177.748 174.990 0.003 0.000 1.228 450 C CA 1.136 60.175 59.018 0.035 0.000 1.731 450 C CB -0.928 26.843 27.740 0.051 0.000 2.042 450 C HN 0.404 nan 8.230 nan 0.000 0.468 451 V N 1.408 121.311 119.914 -0.018 0.000 2.343 451 V HA -0.137 3.983 4.120 -0.000 0.000 0.247 451 V C 2.702 178.759 176.094 -0.061 0.000 1.051 451 V CA 2.218 64.458 62.300 -0.099 0.000 1.036 451 V CB -0.786 30.884 31.823 -0.254 0.000 0.654 451 V HN 0.545 nan 8.190 nan 0.000 0.451 452 E N 0.843 121.053 120.200 0.016 0.000 2.153 452 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 452 E C 2.470 179.084 176.600 0.024 0.000 0.988 452 E CA 1.573 57.999 56.400 0.043 0.000 0.811 452 E CB -0.489 29.249 29.700 0.064 0.000 0.746 452 E HN 0.770 nan 8.360 nan 0.000 0.466 453 S N 0.414 116.121 115.700 0.012 0.000 2.442 453 S HA -0.006 4.464 4.470 -0.000 0.000 0.236 453 S C 2.029 176.639 174.600 0.017 0.000 1.007 453 S CA 0.959 59.178 58.200 0.032 0.000 0.965 453 S CB 0.050 63.302 63.200 0.086 0.000 0.773 453 S HN 0.246 nan 8.310 nan 0.000 0.504 454 A N 1.409 124.231 122.820 0.003 0.000 1.956 454 A HA 0.443 4.763 4.320 -0.000 0.000 0.212 454 A C 2.174 179.771 177.584 0.022 0.000 1.188 454 A CA 0.460 52.500 52.037 0.006 0.000 0.675 454 A CB -0.566 18.426 19.000 -0.013 0.000 0.845 454 A HN 0.485 nan 8.150 nan 0.000 0.455 455 L N 0.166 121.396 121.223 0.012 0.000 2.201 455 L HA -0.060 4.280 4.340 -0.000 0.000 0.212 455 L C 0.303 177.236 176.870 0.106 0.000 1.105 455 L CA 0.564 55.433 54.840 0.048 0.000 0.775 455 L CB -0.260 41.831 42.059 0.053 0.000 0.913 455 L HN 0.289 nan 8.230 nan 0.000 0.440 456 N N 1.029 119.791 118.700 0.103 0.000 3.322 456 N HA 0.124 4.864 4.740 -0.000 0.000 0.290 456 N C -0.460 175.122 175.510 0.121 0.000 1.297 456 N CA 0.143 53.280 53.050 0.145 0.000 1.167 456 N CB 0.601 39.147 38.487 0.099 0.000 1.434 456 N HN 0.226 nan 8.380 nan 0.000 0.526 457 Q N -0.316 119.580 119.800 0.160 0.000 2.348 457 Q HA 0.331 4.671 4.340 -0.000 0.000 0.271 457 Q C 1.139 177.247 176.000 0.180 0.000 1.067 457 Q CA -0.468 55.405 55.803 0.117 0.000 0.839 457 Q CB 1.838 30.630 28.738 0.090 0.000 1.354 457 Q HN 0.179 nan 8.270 nan 0.000 0.447 458 T N 0.726 115.337 114.554 0.095 0.000 2.652 458 T HA -0.041 4.309 4.350 -0.000 0.000 0.267 458 T C 1.047 175.851 174.700 0.172 0.000 1.039 458 T CA 0.878 63.041 62.100 0.105 0.000 1.153 458 T CB 0.026 68.913 68.868 0.032 0.000 0.863 458 T HN 0.341 nan 8.240 nan 0.000 0.428 459 I N 2.198 122.839 120.570 0.118 0.000 2.517 459 I HA 0.067 4.237 4.170 -0.000 0.000 0.285 459 I C 1.455 177.638 176.117 0.111 0.000 1.106 459 I CA 0.489 61.852 61.300 0.105 0.000 1.402 459 I CB 0.791 38.844 38.000 0.089 0.000 1.399 459 I HN 0.143 nan 8.210 nan 0.000 0.535 460 T N 3.234 117.839 114.554 0.086 0.000 3.051 460 T HA -0.034 4.316 4.350 -0.000 0.000 0.255 460 T C 0.824 175.547 174.700 0.038 0.000 1.085 460 T CA 0.404 62.529 62.100 0.041 0.000 1.109 460 T CB -0.100 68.749 68.868 -0.032 0.000 0.921 460 T HN 0.451 nan 8.240 nan 0.000 0.488 461 D N 2.489 122.920 120.400 0.053 0.000 2.600 461 D HA 0.242 4.882 4.640 -0.000 0.000 0.226 461 D C -0.477 175.871 176.300 0.081 0.000 1.119 461 D CA 0.110 54.146 54.000 0.059 0.000 1.051 461 D CB -0.570 40.269 40.800 0.064 0.000 1.106 461 D HN 0.364 nan 8.370 nan 0.000 0.491 462 L N 0.946 122.212 121.223 0.072 0.000 2.622 462 L HA 0.504 4.843 4.340 -0.000 0.000 0.258 462 L C -1.635 175.270 176.870 0.058 0.000 0.996 462 L CA -0.684 54.202 54.840 0.076 0.000 0.858 462 L CB 2.150 44.260 42.059 0.085 0.000 1.449 462 L HN 0.077 nan 8.230 nan 0.000 0.411 463 E N 1.673 121.903 120.200 0.049 0.000 2.392 463 E HA 0.719 5.069 4.350 -0.000 0.000 0.269 463 E C -1.882 174.719 176.600 0.001 0.000 0.924 463 E CA -0.944 55.471 56.400 0.025 0.000 0.784 463 E CB 2.623 32.346 29.700 0.038 0.000 1.292 463 E HN 0.386 nan 8.360 nan 0.000 0.447 464 V N 0.670 120.559 119.914 -0.042 0.000 2.531 464 V HA 0.381 4.501 4.120 -0.000 0.000 0.301 464 V C -0.761 175.319 176.094 -0.022 0.000 1.034 464 V CA -0.862 61.403 62.300 -0.058 0.000 0.865 464 V CB 1.275 33.000 31.823 -0.163 0.000 0.995 464 V HN 0.832 nan 8.190 nan 0.000 0.424 465 C N 6.388 125.704 119.300 0.027 0.000 2.301 465 C HA 0.761 5.221 4.460 -0.000 0.000 0.323 465 C C -0.053 174.996 174.990 0.099 0.000 1.265 465 C CA -0.578 58.482 59.018 0.069 0.000 1.503 465 C CB -0.012 27.768 27.740 0.067 0.000 2.195 465 C HN 0.707 nan 8.230 nan 0.000 0.477 466 I N 2.219 122.871 120.570 0.137 0.000 2.562 466 I HA 0.490 4.660 4.170 -0.000 0.000 0.301 466 I C 0.067 176.292 176.117 0.179 0.000 1.003 466 I CA -0.128 61.259 61.300 0.145 0.000 1.127 466 I CB 1.350 39.423 38.000 0.121 0.000 1.304 466 I HN 0.664 nan 8.210 nan 0.000 0.446 467 C N 4.351 123.739 119.300 0.147 0.000 2.321 467 C HA 0.464 4.924 4.460 -0.000 0.000 0.323 467 C C -0.469 174.600 174.990 0.132 0.000 1.191 467 C CA -0.645 58.454 59.018 0.135 0.000 1.455 467 C CB -0.413 27.386 27.740 0.099 0.000 2.083 467 C HN 0.835 nan 8.230 nan 0.000 0.442 468 D N 3.650 124.140 120.400 0.149 0.000 2.374 468 D HA 0.097 4.737 4.640 -0.000 0.000 0.240 468 D C 0.210 176.588 176.300 0.130 0.000 1.229 468 D CA 0.319 54.395 54.000 0.126 0.000 0.895 468 D CB 0.582 41.459 40.800 0.128 0.000 1.046 468 D HN 0.641 nan 8.370 nan 0.000 0.498 469 D N 3.184 123.682 120.400 0.162 0.000 2.885 469 D HA 0.271 4.911 4.640 -0.000 0.000 0.234 469 D C 1.111 177.571 176.300 0.265 0.000 1.129 469 D CA 0.510 54.625 54.000 0.192 0.000 0.991 469 D CB -0.881 40.032 40.800 0.189 0.000 1.137 469 D HN 0.623 nan 8.370 nan 0.000 0.459 470 G N 1.390 110.296 108.800 0.176 0.000 2.272 470 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.280 470 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.280 470 G C 0.415 175.406 174.900 0.151 0.000 1.067 470 G CA 0.249 45.448 45.100 0.166 0.000 0.902 470 G HN 0.409 nan 8.290 nan 0.000 0.500 471 S N -0.330 115.355 115.700 -0.024 0.000 2.558 471 S HA 0.345 4.815 4.470 -0.000 0.000 0.288 471 S C 1.829 176.319 174.600 -0.184 0.000 1.318 471 S CA 0.556 58.555 58.200 -0.334 0.000 1.056 471 S CB 1.094 64.123 63.200 -0.285 0.000 0.853 471 S HN 1.049 nan 8.310 nan 0.000 0.505 472 T N -1.495 112.916 114.554 -0.237 0.000 3.057 472 T HA 0.057 4.407 4.350 -0.000 0.000 0.254 472 T C 0.303 174.954 174.700 -0.082 0.000 1.094 472 T CA 0.049 62.101 62.100 -0.081 0.000 1.088 472 T CB -0.290 68.571 68.868 -0.011 0.000 0.934 472 T HN 0.702 nan 8.240 nan 0.000 0.497 473 D N 2.052 122.372 120.400 -0.133 0.000 2.437 473 D HA 0.213 4.853 4.640 -0.000 0.000 0.259 473 D C -0.530 175.726 176.300 -0.073 0.000 1.118 473 D CA -0.944 53.005 54.000 -0.084 0.000 1.017 473 D CB 0.422 41.171 40.800 -0.084 0.000 1.120 473 D HN 0.239 nan 8.370 nan 0.000 0.541 474 D N -1.348 119.024 120.400 -0.048 0.000 3.008 474 D HA 0.090 4.730 4.640 -0.000 0.000 0.242 474 D C 0.672 176.944 176.300 -0.047 0.000 1.222 474 D CA -0.347 53.631 54.000 -0.037 0.000 0.883 474 D CB -0.027 40.760 40.800 -0.022 0.000 1.110 474 D HN 0.233 nan 8.370 nan 0.000 0.455 475 T N 0.374 114.889 114.554 -0.065 0.000 2.746 475 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 475 T C 1.533 176.194 174.700 -0.065 0.000 1.039 475 T CA 0.606 62.663 62.100 -0.071 0.000 1.142 475 T CB -0.157 68.661 68.868 -0.083 0.000 0.866 475 T HN 0.257 nan 8.240 nan 0.000 0.444 476 L N 1.725 122.933 121.223 -0.026 0.000 2.046 476 L HA 0.008 4.348 4.340 -0.000 0.000 0.208 476 L C 2.410 179.288 176.870 0.013 0.000 1.077 476 L CA 1.724 56.578 54.840 0.023 0.000 0.747 476 L CB -0.726 41.384 42.059 0.085 0.000 0.896 476 L HN 0.027 nan 8.230 nan 0.000 0.432 477 R N -0.049 120.454 120.500 0.005 0.000 2.081 477 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 477 R C 2.122 178.411 176.300 -0.019 0.000 1.131 477 R CA 1.746 57.852 56.100 0.011 0.000 0.960 477 R CB -0.364 29.940 30.300 0.006 0.000 0.856 477 R HN 0.411 nan 8.270 nan 0.000 0.436 478 I N 1.440 121.973 120.570 -0.063 0.000 2.202 478 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 478 I C 2.519 178.532 176.117 -0.173 0.000 1.091 478 I CA 0.953 62.190 61.300 -0.106 0.000 1.368 478 I CB -1.226 36.675 38.000 -0.166 0.000 1.058 478 I HN 0.169 nan 8.210 nan 0.000 0.410 479 L N 0.131 121.210 121.223 -0.240 0.000 2.079 479 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 479 L C 2.722 179.344 176.870 -0.412 0.000 1.081 479 L CA 1.413 55.980 54.840 -0.455 0.000 0.752 479 L CB -0.544 40.999 42.059 -0.860 0.000 0.896 479 L HN 0.356 nan 8.230 nan 0.000 0.433 480 Q N 0.031 119.766 119.800 -0.109 0.000 2.020 480 Q HA -0.220 4.120 4.340 -0.000 0.000 0.198 480 Q C 1.983 178.037 176.000 0.089 0.000 0.974 480 Q CA 1.632 57.539 55.803 0.173 0.000 0.829 480 Q CB -0.194 28.670 28.738 0.210 0.000 0.894 480 Q HN 0.620 nan 8.270 nan 0.000 0.433 481 E N -0.350 119.869 120.200 0.032 0.000 2.472 481 E HA -0.198 4.152 4.350 -0.000 0.000 0.200 481 E C 0.770 177.315 176.600 -0.091 0.000 1.046 481 E CA 1.113 57.514 56.400 0.002 0.000 0.871 481 E CB 0.063 29.775 29.700 0.020 0.000 0.806 481 E HN 0.448 nan 8.360 nan 0.000 0.533 482 H N -1.917 116.979 119.070 -0.289 0.000 2.800 482 H HA 0.189 4.745 4.556 -0.000 0.000 0.257 482 H C -0.080 174.924 175.328 -0.540 0.000 0.967 482 H CA 0.643 56.355 56.048 -0.560 0.000 1.192 482 H CB 0.690 29.824 29.762 -1.047 0.000 1.441 482 H HN 0.148 nan 8.280 nan 0.000 0.461 483 Y N -1.555 118.848 120.300 0.172 0.000 2.717 483 Y HA 0.479 5.029 4.550 -0.000 0.000 0.250 483 Y C 1.669 177.828 175.900 0.433 0.000 1.149 483 Y CA 0.044 58.297 58.100 0.256 0.000 1.211 483 Y CB 0.064 38.590 38.460 0.110 0.000 1.289 483 Y HN 0.164 nan 8.280 nan 0.000 0.552 484 A N 0.340 123.446 122.820 0.475 0.000 2.067 484 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 484 A C 1.432 179.165 177.584 0.248 0.000 1.158 484 A CA 1.568 53.847 52.037 0.402 0.000 0.661 484 A CB -0.215 18.953 19.000 0.280 0.000 0.801 484 A HN 0.341 nan 8.150 nan 0.000 0.452 485 N N -0.790 118.049 118.700 0.231 0.000 2.299 485 N HA 0.049 4.789 4.740 -0.000 0.000 0.246 485 N C -0.782 174.831 175.510 0.171 0.000 1.254 485 N CA -0.135 53.007 53.050 0.153 0.000 0.879 485 N CB 0.226 38.763 38.487 0.082 0.000 1.214 485 N HN 0.466 nan 8.380 nan 0.000 0.510 486 H N 2.752 121.932 119.070 0.183 0.000 2.604 486 H HA 0.201 4.756 4.556 -0.000 0.000 0.306 486 H C -1.580 173.821 175.328 0.122 0.000 1.075 486 H CA -1.291 54.862 56.048 0.175 0.000 1.357 486 H CB 1.629 31.563 29.762 0.287 0.000 1.426 486 H HN 0.018 nan 8.280 nan 0.000 0.470 487 P HA 0.018 nan 4.420 nan 0.000 0.244 487 P C 0.463 177.899 177.300 0.226 0.000 1.211 487 P CA 0.606 63.808 63.100 0.169 0.000 0.760 487 P CB 0.383 32.120 31.700 0.062 0.000 0.961 488 R N -1.491 119.257 120.500 0.413 0.000 2.544 488 R HA 0.254 4.594 4.340 -0.000 0.000 0.303 488 R C -0.260 176.044 176.300 0.007 0.000 0.939 488 R CA 0.016 56.228 56.100 0.188 0.000 1.102 488 R CB 1.352 31.772 30.300 0.200 0.000 1.440 488 R HN -0.026 nan 8.270 nan 0.000 0.532 489 V N 1.747 121.650 119.914 -0.018 0.000 2.487 489 V HA 0.461 4.581 4.120 -0.000 0.000 0.298 489 V C -0.538 175.633 176.094 0.129 0.000 1.028 489 V CA -0.742 61.494 62.300 -0.107 0.000 0.860 489 V CB 1.934 33.470 31.823 -0.478 0.000 0.991 489 V HN 0.128 nan 8.190 nan 0.000 0.427 490 R N 4.494 125.074 120.500 0.133 0.000 2.628 490 R HA 0.806 5.146 4.340 -0.000 0.000 0.288 490 R C -1.450 174.983 176.300 0.222 0.000 0.980 490 R CA -0.487 55.693 56.100 0.133 0.000 0.891 490 R CB 2.364 32.687 30.300 0.038 0.000 1.188 490 R HN 0.687 nan 8.270 nan 0.000 0.450 491 F N 0.395 120.370 119.950 0.041 0.000 2.613 491 F HA 0.715 5.242 4.527 0.000 0.000 0.310 491 F C -1.149 174.682 175.800 0.050 0.000 1.085 491 F CA -1.304 56.722 58.000 0.044 0.000 0.945 491 F CB 1.265 40.302 39.000 0.062 0.000 1.298 491 F HN 0.415 nan 8.300 nan 0.000 0.455 492 I N 1.004 121.648 120.570 0.122 0.000 2.934 492 I HA 0.702 4.872 4.170 -0.000 0.000 0.306 492 I C -1.160 175.036 176.117 0.132 0.000 1.110 492 I CA -0.595 60.728 61.300 0.039 0.000 1.019 492 I CB 2.355 40.362 38.000 0.013 0.000 1.227 492 I HN 0.838 nan 8.210 nan 0.000 0.434 493 S N 3.862 119.622 115.700 0.100 0.000 2.568 493 S HA 0.712 5.182 4.470 -0.000 0.000 0.302 493 S C -1.132 173.515 174.600 0.079 0.000 1.082 493 S CA -0.406 57.861 58.200 0.112 0.000 1.009 493 S CB 1.440 64.713 63.200 0.122 0.000 1.069 493 S HN 0.695 nan 8.310 nan 0.000 0.500 494 Q N 1.638 121.487 119.800 0.082 0.000 2.707 494 Q HA 0.546 4.886 4.340 -0.000 0.000 0.307 494 Q C -1.680 174.366 176.000 0.077 0.000 0.934 494 Q CA -1.264 54.580 55.803 0.069 0.000 0.753 494 Q CB 0.929 29.704 28.738 0.062 0.000 1.478 494 Q HN 0.471 nan 8.270 nan 0.000 0.458 495 K N 0.916 121.356 120.400 0.066 0.000 2.118 495 K HA 0.253 4.573 4.320 -0.000 0.000 0.267 495 K C -0.485 176.161 176.600 0.077 0.000 0.991 495 K CA -0.755 55.575 56.287 0.072 0.000 0.916 495 K CB 0.633 33.166 32.500 0.054 0.000 1.041 495 K HN 0.498 nan 8.250 nan 0.000 0.455 496 N N 2.201 120.961 118.700 0.099 0.000 2.256 496 N HA -0.137 4.603 4.740 -0.000 0.000 0.277 496 N C -0.284 175.241 175.510 0.025 0.000 1.362 496 N CA 0.921 54.018 53.050 0.078 0.000 0.861 496 N CB 0.318 38.852 38.487 0.079 0.000 1.136 496 N HN 0.457 nan 8.380 nan 0.000 0.492 497 K N 1.446 121.854 120.400 0.013 0.000 2.491 497 K HA 0.288 4.608 4.320 -0.000 0.000 0.211 497 K C 0.384 176.975 176.600 -0.015 0.000 1.210 497 K CA 0.116 56.405 56.287 0.004 0.000 1.003 497 K CB 0.835 33.346 32.500 0.019 0.000 1.009 497 K HN 0.689 nan 8.250 nan 0.000 0.577 498 G N 1.151 109.929 108.800 -0.037 0.000 2.479 498 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.686 498 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.686 498 G C 0.325 175.208 174.900 -0.027 0.000 1.295 498 G CA -0.734 44.336 45.100 -0.050 0.000 0.922 498 G HN -0.022 nan 8.290 nan 0.000 0.582 499 I N 1.230 121.787 120.570 -0.023 0.000 2.099 499 I HA -0.137 4.033 4.170 -0.000 0.000 0.239 499 I C 3.144 179.236 176.117 -0.043 0.000 1.066 499 I CA 2.324 63.617 61.300 -0.011 0.000 1.324 499 I CB -0.710 37.304 38.000 0.023 0.000 1.037 499 I HN 0.821 nan 8.210 nan 0.000 0.401 500 G N -0.233 108.565 108.800 -0.004 0.000 2.574 500 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.220 500 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.220 500 G C 1.796 176.702 174.900 0.010 0.000 1.173 500 G CA 1.440 46.559 45.100 0.032 0.000 0.772 500 G HN 0.414 nan 8.290 nan 0.000 0.585 501 S N 0.591 116.299 115.700 0.013 0.000 2.368 501 S HA 0.103 4.573 4.470 -0.000 0.000 0.224 501 S C 2.751 177.349 174.600 -0.003 0.000 1.029 501 S CA 1.518 59.732 58.200 0.023 0.000 0.988 501 S CB -0.508 62.707 63.200 0.025 0.000 0.838 501 S HN 0.636 nan 8.310 nan 0.000 0.462 502 A N 0.930 123.739 122.820 -0.017 0.000 1.908 502 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 502 A C 2.401 179.948 177.584 -0.063 0.000 1.181 502 A CA 2.233 54.268 52.037 -0.003 0.000 0.627 502 A CB -1.186 17.831 19.000 0.028 0.000 0.818 502 A HN 0.585 nan 8.150 nan 0.000 0.445 503 S N 0.584 116.153 115.700 -0.218 0.000 2.348 503 S HA -0.173 4.297 4.470 -0.000 0.000 0.221 503 S C 1.943 176.246 174.600 -0.495 0.000 1.033 503 S CA 1.287 59.152 58.200 -0.558 0.000 1.010 503 S CB -0.533 61.775 63.200 -1.487 0.000 0.891 503 S HN 0.666 nan 8.310 nan 0.000 0.442 504 N N 1.220 119.824 118.700 -0.160 0.000 2.069 504 N HA -0.096 4.644 4.740 -0.000 0.000 0.191 504 N C 1.839 177.363 175.510 0.022 0.000 1.031 504 N CA 1.731 54.871 53.050 0.151 0.000 0.852 504 N CB -0.878 37.791 38.487 0.304 0.000 1.018 504 N HN 0.387 nan 8.380 nan 0.000 0.423 505 T N 1.416 115.975 114.554 0.009 0.000 2.665 505 T HA -0.138 4.212 4.350 -0.000 0.000 0.268 505 T C 2.019 176.710 174.700 -0.014 0.000 1.035 505 T CA 1.600 63.710 62.100 0.016 0.000 1.151 505 T CB -0.367 68.520 68.868 0.032 0.000 0.862 505 T HN 0.369 nan 8.240 nan 0.000 0.438 506 A N 1.036 123.834 122.820 -0.036 0.000 1.855 506 A HA -0.029 4.291 4.320 -0.000 0.000 0.215 506 A C 2.607 180.126 177.584 -0.109 0.000 1.191 506 A CA 1.396 53.428 52.037 -0.009 0.000 0.613 506 A CB -1.070 18.000 19.000 0.116 0.000 0.829 506 A HN 0.346 nan 8.150 nan 0.000 0.442 507 V N 0.586 120.304 119.914 -0.326 0.000 2.453 507 V HA -0.294 3.825 4.120 -0.000 0.000 0.252 507 V C 2.544 178.421 176.094 -0.363 0.000 1.068 507 V CA 2.228 64.216 62.300 -0.520 0.000 1.070 507 V CB -0.964 30.233 31.823 -1.043 0.000 0.664 507 V HN 0.526 nan 8.190 nan 0.000 0.461 508 R N -0.588 119.799 120.500 -0.188 0.000 2.193 508 R HA 0.066 4.406 4.340 -0.000 0.000 0.213 508 R C 2.183 178.467 176.300 -0.028 0.000 1.055 508 R CA 0.787 56.857 56.100 -0.049 0.000 0.995 508 R CB -0.259 30.068 30.300 0.044 0.000 0.893 508 R HN 0.417 nan 8.270 nan 0.000 0.459 509 L N 0.723 121.926 121.223 -0.033 0.000 2.217 509 L HA -0.039 4.301 4.340 -0.000 0.000 0.211 509 L C 0.780 177.645 176.870 -0.008 0.000 1.107 509 L CA 0.128 54.964 54.840 -0.006 0.000 0.783 509 L CB -0.035 42.030 42.059 0.009 0.000 0.919 509 L HN 0.197 nan 8.230 nan 0.000 0.442 510 C N 0.126 119.402 119.300 -0.038 0.000 2.657 510 C HA 0.018 4.478 4.460 -0.000 0.000 0.420 510 C C 1.815 176.795 174.990 -0.016 0.000 1.323 510 C CA -0.133 58.864 59.018 -0.034 0.000 1.894 510 C CB 0.029 27.716 27.740 -0.088 0.000 2.681 510 C HN 0.467 nan 8.230 nan 0.000 0.613 511 R N 1.152 121.660 120.500 0.013 0.000 2.507 511 R HA 0.184 4.524 4.340 -0.000 0.000 0.230 511 R C 1.106 177.451 176.300 0.075 0.000 0.897 511 R CA 0.163 56.288 56.100 0.043 0.000 1.006 511 R CB 0.007 30.341 30.300 0.057 0.000 1.341 511 R HN 0.795 nan 8.270 nan 0.000 0.604 512 G N 0.279 109.120 108.800 0.067 0.000 2.683 512 G HA2 0.006 3.966 3.960 -0.000 0.000 0.260 512 G HA3 0.006 3.966 3.960 -0.000 0.000 0.260 512 G C -0.147 174.822 174.900 0.116 0.000 1.238 512 G CA -0.343 44.826 45.100 0.114 0.000 0.934 512 G HN 0.080 nan 8.290 nan 0.000 0.534 513 F N -0.928 119.003 119.950 -0.031 0.000 2.274 513 F HA 0.346 4.873 4.527 -0.000 0.000 0.288 513 F C 0.434 176.010 175.800 -0.372 0.000 1.069 513 F CA -0.059 57.818 58.000 -0.204 0.000 1.343 513 F CB 0.043 38.883 39.000 -0.266 0.000 1.089 513 F HN 0.254 nan 8.300 nan 0.000 0.517 514 Y N 1.913 122.184 120.300 -0.049 0.000 2.350 514 Y HA 0.410 4.960 4.550 0.000 0.000 0.340 514 Y C -0.063 175.696 175.900 -0.235 0.000 1.006 514 Y CA -0.741 57.223 58.100 -0.226 0.000 1.166 514 Y CB 0.388 38.810 38.460 -0.064 0.000 1.168 514 Y HN -0.191 nan 8.280 nan 0.000 0.502 515 I N 3.029 123.408 120.570 -0.319 0.000 2.377 515 I HA 0.583 4.753 4.170 -0.000 0.000 0.293 515 I C 0.503 176.311 176.117 -0.516 0.000 0.987 515 I CA -0.602 60.416 61.300 -0.469 0.000 1.185 515 I CB 1.766 39.271 38.000 -0.825 0.000 1.341 515 I HN 0.742 nan 8.210 nan 0.000 0.455 516 G N 4.421 113.101 108.800 -0.200 0.000 2.495 516 G HA2 0.445 4.405 3.960 -0.000 0.000 0.318 516 G HA3 0.445 4.405 3.960 -0.000 0.000 0.318 516 G C -1.417 173.455 174.900 -0.046 0.000 1.257 516 G CA -0.441 44.571 45.100 -0.147 0.000 0.962 516 G HN 0.568 nan 8.290 nan 0.000 0.483 517 Q N 1.194 120.980 119.800 -0.023 0.000 2.257 517 Q HA 0.581 4.921 4.340 -0.000 0.000 0.255 517 Q C -1.346 174.705 176.000 0.085 0.000 0.920 517 Q CA -0.598 55.104 55.803 -0.169 0.000 0.927 517 Q CB 1.411 30.261 28.738 0.185 0.000 1.229 517 Q HN 0.457 nan 8.270 nan 0.000 0.433 518 L N 4.628 125.810 121.223 -0.069 0.000 2.504 518 L HA 0.354 4.694 4.340 -0.000 0.000 0.265 518 L C -1.312 175.583 176.870 0.042 0.000 0.975 518 L CA -0.741 54.185 54.840 0.144 0.000 0.864 518 L CB 1.693 43.813 42.059 0.103 0.000 1.212 518 L HN 0.744 nan 8.230 nan 0.000 0.416 519 D N 1.510 121.995 120.400 0.142 0.000 2.382 519 D HA 0.019 4.659 4.640 -0.000 0.000 0.240 519 D C 1.347 177.681 176.300 0.057 0.000 1.146 519 D CA 0.213 54.272 54.000 0.098 0.000 0.897 519 D CB 1.654 42.550 40.800 0.160 0.000 1.197 519 D HN 0.612 nan 8.370 nan 0.000 0.432 520 S N 0.520 116.246 115.700 0.043 0.000 2.469 520 S HA -0.214 4.256 4.470 -0.000 0.000 0.238 520 S C 0.871 175.482 174.600 0.020 0.000 0.998 520 S CA 1.150 59.367 58.200 0.029 0.000 0.957 520 S CB -0.153 63.062 63.200 0.025 0.000 0.764 520 S HN 0.537 nan 8.310 nan 0.000 0.514 521 D N 0.072 120.467 120.400 -0.008 0.000 2.389 521 D HA 0.168 4.808 4.640 -0.000 0.000 0.206 521 D C 0.193 176.561 176.300 0.113 0.000 1.055 521 D CA -0.118 53.841 54.000 -0.070 0.000 0.856 521 D CB -0.237 40.424 40.800 -0.231 0.000 0.957 521 D HN 0.291 nan 8.370 nan 0.000 0.509 522 D N 0.002 120.436 120.400 0.056 0.000 2.539 522 D HA 0.509 5.149 4.640 -0.000 0.000 0.276 522 D C 0.045 176.353 176.300 0.012 0.000 1.206 522 D CA -0.414 53.550 54.000 -0.059 0.000 1.081 522 D CB 1.008 41.599 40.800 -0.348 0.000 1.142 522 D HN 0.208 nan 8.370 nan 0.000 0.595 523 F N -2.017 117.658 119.950 -0.458 0.000 2.703 523 F HA 0.487 5.014 4.527 -0.000 0.000 0.308 523 F C -1.902 173.623 175.800 -0.458 0.000 1.126 523 F CA -1.181 56.605 58.000 -0.355 0.000 0.959 523 F CB 0.598 39.488 39.000 -0.184 0.000 1.297 523 F HN 0.058 nan 8.300 nan 0.000 0.441 524 L N 1.793 122.914 121.223 -0.171 0.000 2.365 524 L HA 0.576 4.916 4.340 -0.000 0.000 0.267 524 L C -0.166 176.645 176.870 -0.099 0.000 1.033 524 L CA -1.158 53.530 54.840 -0.253 0.000 0.802 524 L CB 1.084 42.979 42.059 -0.273 0.000 1.267 524 L HN 0.560 nan 8.230 nan 0.000 0.457 525 E N 0.738 120.850 120.200 -0.145 0.000 2.231 525 E HA 0.211 4.561 4.350 -0.000 0.000 0.277 525 E C -1.874 174.684 176.600 -0.070 0.000 0.999 525 E CA -1.853 54.502 56.400 -0.075 0.000 0.827 525 E CB 1.337 30.986 29.700 -0.085 0.000 1.101 525 E HN 0.265 nan 8.360 nan 0.000 0.393 526 P HA -0.225 nan 4.420 nan 0.000 0.219 526 P C 0.568 177.846 177.300 -0.036 0.000 1.149 526 P CA 1.602 64.680 63.100 -0.038 0.000 0.835 526 P CB 0.238 31.904 31.700 -0.058 0.000 0.778 527 D N -2.693 117.679 120.400 -0.046 0.000 2.440 527 D HA 0.181 4.821 4.640 -0.000 0.000 0.216 527 D C 1.401 177.681 176.300 -0.034 0.000 1.150 527 D CA 0.024 54.004 54.000 -0.033 0.000 0.832 527 D CB -0.334 40.444 40.800 -0.037 0.000 0.992 527 D HN 0.034 nan 8.370 nan 0.000 0.502 528 A N 0.984 123.759 122.820 -0.075 0.000 1.865 528 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 528 A C 2.333 179.944 177.584 0.046 0.000 1.191 528 A CA 1.703 53.678 52.037 -0.104 0.000 0.623 528 A CB -0.877 17.885 19.000 -0.396 0.000 0.826 528 A HN 0.151 nan 8.150 nan 0.000 0.444 529 V N 0.066 120.021 119.914 0.067 0.000 2.332 529 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 529 V C 2.531 178.691 176.094 0.111 0.000 1.055 529 V CA 2.427 64.836 62.300 0.183 0.000 1.038 529 V CB -0.784 31.130 31.823 0.153 0.000 0.651 529 V HN 0.781 nan 8.190 nan 0.000 0.450 530 E N 0.232 120.468 120.200 0.060 0.000 2.017 530 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 530 E C 2.273 178.879 176.600 0.010 0.000 0.997 530 E CA 1.578 57.998 56.400 0.033 0.000 0.804 530 E CB -0.208 29.505 29.700 0.021 0.000 0.757 530 E HN 0.537 nan 8.360 nan 0.000 0.448 531 L N 0.484 121.706 121.223 -0.002 0.000 2.089 531 L HA -0.310 4.030 4.340 -0.000 0.000 0.213 531 L C 2.773 179.607 176.870 -0.061 0.000 1.079 531 L CA 1.264 56.084 54.840 -0.033 0.000 0.758 531 L CB -0.555 41.480 42.059 -0.041 0.000 0.891 531 L HN 0.452 nan 8.230 nan 0.000 0.433 532 C N -0.815 118.464 119.300 -0.034 0.000 2.457 532 C HA -0.078 4.382 4.460 -0.000 0.000 0.278 532 C C 2.645 177.546 174.990 -0.148 0.000 1.309 532 C CA -0.009 58.929 59.018 -0.133 0.000 1.735 532 C CB -0.623 27.091 27.740 -0.042 0.000 1.992 532 C HN 0.387 nan 8.230 nan 0.000 0.493 533 L N 0.992 122.206 121.223 -0.015 0.000 2.083 533 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 533 L C 2.156 179.029 176.870 0.004 0.000 1.083 533 L CA 1.801 56.641 54.840 0.000 0.000 0.752 533 L CB -0.813 41.232 42.059 -0.024 0.000 0.899 533 L HN 0.334 nan 8.230 nan 0.000 0.433 534 D N -0.446 119.940 120.400 -0.023 0.000 2.097 534 D HA -0.172 4.468 4.640 -0.000 0.000 0.195 534 D C 2.044 178.332 176.300 -0.019 0.000 0.989 534 D CA 1.066 55.056 54.000 -0.017 0.000 0.827 534 D CB 0.021 40.803 40.800 -0.030 0.000 0.966 534 D HN 0.327 nan 8.370 nan 0.000 0.456 535 E N 0.164 120.315 120.200 -0.083 0.000 2.106 535 E HA -0.105 4.245 4.350 -0.000 0.000 0.192 535 E C 2.252 178.836 176.600 -0.025 0.000 0.984 535 E CA 0.305 56.642 56.400 -0.106 0.000 0.806 535 E CB -0.549 29.015 29.700 -0.227 0.000 0.750 535 E HN 0.445 nan 8.360 nan 0.000 0.458 536 F N 0.862 120.796 119.950 -0.027 0.000 2.171 536 F HA -0.177 4.350 4.527 0.000 0.000 0.300 536 F C 2.506 178.357 175.800 0.084 0.000 1.090 536 F CA 0.550 58.565 58.000 0.024 0.000 1.293 536 F CB 0.140 39.063 39.000 -0.129 0.000 1.013 536 F HN -0.044 nan 8.300 nan 0.000 0.486 537 R N 0.719 121.356 120.500 0.228 0.000 2.092 537 R HA -0.083 4.257 4.340 -0.000 0.000 0.231 537 R C 1.794 178.167 176.300 0.120 0.000 1.119 537 R CA 1.124 57.314 56.100 0.149 0.000 0.970 537 R CB -0.488 29.856 30.300 0.073 0.000 0.864 537 R HN 0.152 nan 8.270 nan 0.000 0.440 538 K N -0.329 120.129 120.400 0.097 0.000 2.365 538 K HA -0.053 4.267 4.320 -0.000 0.000 0.199 538 K C -0.201 176.458 176.600 0.098 0.000 1.045 538 K CA 0.826 57.158 56.287 0.074 0.000 0.962 538 K CB 0.177 32.702 32.500 0.043 0.000 0.759 538 K HN 0.018 nan 8.250 nan 0.000 0.469 539 D N 0.014 120.501 120.400 0.146 0.000 2.328 539 D HA 0.115 4.755 4.640 -0.000 0.000 0.243 539 D C 0.387 176.836 176.300 0.247 0.000 1.324 539 D CA -0.199 53.900 54.000 0.165 0.000 0.966 539 D CB 0.640 41.524 40.800 0.140 0.000 1.324 539 D HN -0.130 nan 8.370 nan 0.000 0.549 540 L N 1.461 122.826 121.223 0.236 0.000 2.456 540 L HA -0.035 4.305 4.340 -0.000 0.000 0.224 540 L C 1.988 179.044 176.870 0.310 0.000 1.148 540 L CA 0.611 55.636 54.840 0.308 0.000 0.825 540 L CB -0.077 42.134 42.059 0.254 0.000 0.937 540 L HN 0.250 nan 8.230 nan 0.000 0.450 541 S N -0.395 115.445 115.700 0.234 0.000 2.528 541 S HA 0.039 4.508 4.470 -0.000 0.000 0.219 541 S C 0.842 175.567 174.600 0.208 0.000 0.985 541 S CA -0.377 57.938 58.200 0.191 0.000 0.914 541 S CB -0.005 63.270 63.200 0.125 0.000 0.776 541 S HN 0.099 nan 8.310 nan 0.000 0.526 542 L N 2.098 123.483 121.223 0.270 0.000 2.578 542 L HA 0.205 4.545 4.340 -0.000 0.000 0.279 542 L C 1.095 178.181 176.870 0.360 0.000 1.227 542 L CA 0.512 55.538 54.840 0.310 0.000 0.900 542 L CB 0.505 42.791 42.059 0.378 0.000 1.144 542 L HN 0.222 nan 8.230 nan 0.000 0.496 543 A N 3.525 126.495 122.820 0.251 0.000 2.063 543 A HA 0.210 4.530 4.320 -0.000 0.000 0.211 543 A C 0.629 178.272 177.584 0.098 0.000 1.177 543 A CA 0.593 52.732 52.037 0.170 0.000 0.759 543 A CB 0.095 19.187 19.000 0.154 0.000 0.857 543 A HN 0.645 nan 8.150 nan 0.000 0.468 544 C N -0.093 119.117 119.300 -0.148 0.000 2.985 544 C HA 0.607 5.067 4.460 -0.000 0.000 0.332 544 C C -1.577 173.203 174.990 -0.349 0.000 1.164 544 C CA -0.224 58.571 59.018 -0.372 0.000 1.347 544 C CB 1.008 27.875 27.740 -1.455 0.000 1.764 544 C HN 0.887 nan 8.230 nan 0.000 0.489 545 V N 4.623 124.345 119.914 -0.320 0.000 2.525 545 V HA 0.768 4.888 4.120 -0.000 0.000 0.299 545 V C -1.067 174.974 176.094 -0.088 0.000 1.034 545 V CA -0.501 61.597 62.300 -0.336 0.000 0.863 545 V CB 0.868 32.220 31.823 -0.784 0.000 0.999 545 V HN 1.002 nan 8.190 nan 0.000 0.423 546 Y N 2.005 122.200 120.300 -0.174 0.000 2.446 546 Y HA 0.931 5.481 4.550 -0.000 0.000 0.345 546 Y C 0.471 176.380 175.900 0.015 0.000 0.984 546 Y CA -0.244 57.812 58.100 -0.073 0.000 1.058 546 Y CB 1.918 40.332 38.460 -0.078 0.000 1.220 546 Y HN 0.825 nan 8.280 nan 0.000 0.455 547 T N -0.889 113.688 114.554 0.038 0.000 2.920 547 T HA 0.566 4.916 4.350 -0.000 0.000 0.292 547 T C -0.070 174.720 174.700 0.150 0.000 1.093 547 T CA -0.236 61.816 62.100 -0.080 0.000 0.944 547 T CB 1.529 70.421 68.868 0.039 0.000 1.605 547 T HN 0.837 nan 8.240 nan 0.000 0.590 548 T N -0.307 114.324 114.554 0.129 0.000 2.841 548 T HA 0.669 5.019 4.350 -0.000 0.000 0.276 548 T C -0.863 173.924 174.700 0.145 0.000 1.003 548 T CA -0.682 61.541 62.100 0.206 0.000 0.995 548 T CB 0.919 69.858 68.868 0.119 0.000 1.260 548 T HN 1.041 nan 8.240 nan 0.000 0.581 549 N N -0.583 118.183 118.700 0.109 0.000 3.278 549 N HA 0.680 5.420 4.740 -0.000 0.000 0.307 549 N C -1.552 173.996 175.510 0.064 0.000 1.551 549 N CA -1.117 52.009 53.050 0.126 0.000 0.794 549 N CB 1.007 39.619 38.487 0.208 0.000 1.770 549 N HN 0.820 nan 8.380 nan 0.000 0.612 550 R N -0.998 119.535 120.500 0.055 0.000 2.651 550 R HA 0.518 4.858 4.340 -0.000 0.000 0.278 550 R C -1.605 174.705 176.300 0.016 0.000 1.010 550 R CA -0.890 55.221 56.100 0.018 0.000 0.896 550 R CB 0.974 31.263 30.300 -0.019 0.000 1.211 550 R HN 0.444 nan 8.270 nan 0.000 0.456 551 N N 3.709 122.424 118.700 0.024 0.000 2.430 551 N HA 0.225 4.965 4.740 -0.000 0.000 0.265 551 N C -0.561 174.949 175.510 0.001 0.000 1.100 551 N CA -0.096 52.967 53.050 0.022 0.000 0.961 551 N CB 0.910 39.418 38.487 0.035 0.000 1.075 551 N HN 0.452 nan 8.380 nan 0.000 0.478 552 I N 1.100 121.663 120.570 -0.012 0.000 2.648 552 I HA 0.159 4.328 4.170 -0.000 0.000 0.304 552 I C 0.401 176.528 176.117 0.017 0.000 1.009 552 I CA -0.776 60.528 61.300 0.006 0.000 1.114 552 I CB 1.884 39.888 38.000 0.007 0.000 1.293 552 I HN 0.447 nan 8.210 nan 0.000 0.449 553 D N 4.306 124.727 120.400 0.034 0.000 2.255 553 D HA 0.137 4.777 4.640 -0.000 0.000 0.249 553 D C 1.386 177.724 176.300 0.063 0.000 1.078 553 D CA -0.414 53.605 54.000 0.032 0.000 0.896 553 D CB 1.077 41.895 40.800 0.030 0.000 1.194 553 D HN 0.438 nan 8.370 nan 0.000 0.429 554 R N 3.042 123.586 120.500 0.073 0.000 2.226 554 R HA -0.242 4.098 4.340 -0.000 0.000 0.246 554 R C 1.231 177.577 176.300 0.075 0.000 1.161 554 R CA 1.475 57.671 56.100 0.160 0.000 0.997 554 R CB -0.725 29.703 30.300 0.214 0.000 0.870 554 R HN 0.717 nan 8.270 nan 0.000 0.465 555 E N 0.039 120.261 120.200 0.035 0.000 2.230 555 E HA -0.006 4.344 4.350 -0.000 0.000 0.192 555 E C 0.760 177.356 176.600 -0.006 0.000 0.987 555 E CA 0.868 57.262 56.400 -0.010 0.000 0.841 555 E CB 0.166 29.865 29.700 -0.003 0.000 0.783 555 E HN 0.632 nan 8.360 nan 0.000 0.481 556 G N 0.686 109.511 108.800 0.042 0.000 2.336 556 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.194 556 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.194 556 G C -0.211 174.731 174.900 0.070 0.000 0.999 556 G CA -0.207 44.937 45.100 0.074 0.000 0.669 556 G HN 0.237 nan 8.290 nan 0.000 0.482 557 N N 2.187 120.912 118.700 0.041 0.000 2.452 557 N HA 0.324 5.064 4.740 -0.000 0.000 0.266 557 N C 0.380 175.910 175.510 0.032 0.000 1.209 557 N CA -0.444 52.625 53.050 0.031 0.000 0.929 557 N CB 1.143 39.643 38.487 0.021 0.000 1.063 557 N HN 0.255 nan 8.380 nan 0.000 0.472 558 L N 4.422 125.662 121.223 0.028 0.000 2.559 558 L HA -0.028 4.312 4.340 -0.000 0.000 0.274 558 L C 0.471 177.350 176.870 0.017 0.000 1.205 558 L CA 0.790 55.642 54.840 0.019 0.000 0.907 558 L CB 0.180 42.247 42.059 0.014 0.000 1.153 558 L HN 0.732 nan 8.230 nan 0.000 0.490 559 I N 3.479 124.058 120.570 0.015 0.000 2.685 559 I HA 0.022 4.192 4.170 -0.000 0.000 0.251 559 I C 0.628 176.756 176.117 0.018 0.000 1.102 559 I CA 0.705 62.014 61.300 0.017 0.000 1.442 559 I CB 0.272 38.282 38.000 0.017 0.000 1.194 559 I HN 0.827 nan 8.210 nan 0.000 0.448 560 S N -0.481 115.230 115.700 0.019 0.000 2.611 560 S HA 0.311 4.781 4.470 -0.000 0.000 0.270 560 S C -1.260 173.354 174.600 0.024 0.000 1.131 560 S CA -1.090 57.124 58.200 0.023 0.000 0.826 560 S CB 1.222 64.440 63.200 0.030 0.000 1.095 560 S HN 0.007 nan 8.310 nan 0.000 0.461 561 N N 0.932 119.646 118.700 0.025 0.000 2.520 561 N HA 0.393 5.133 4.740 -0.000 0.000 0.273 561 N C 0.605 176.138 175.510 0.038 0.000 1.155 561 N CA 0.373 53.436 53.050 0.022 0.000 0.967 561 N CB 1.000 39.494 38.487 0.012 0.000 1.092 561 N HN 0.922 nan 8.380 nan 0.000 0.457 562 G N 0.878 109.702 108.800 0.040 0.000 2.594 562 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.243 562 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.243 562 G C -0.251 174.672 174.900 0.038 0.000 1.229 562 G CA -0.192 44.946 45.100 0.064 0.000 0.843 562 G HN 0.497 nan 8.290 nan 0.000 0.578 563 Y N 0.847 121.104 120.300 -0.072 0.000 2.805 563 Y HA 0.110 4.659 4.550 -0.000 0.000 0.337 563 Y C 0.237 175.875 175.900 -0.436 0.000 1.252 563 Y CA 0.017 58.045 58.100 -0.120 0.000 1.515 563 Y CB 0.498 38.950 38.460 -0.013 0.000 1.305 563 Y HN 0.543 nan 8.280 nan 0.000 0.600 564 N N 6.917 125.119 118.700 -0.831 0.000 2.533 564 N HA 0.115 4.855 4.740 -0.000 0.000 0.289 564 N C -2.119 173.150 175.510 -0.401 0.000 1.103 564 N CA -0.657 51.945 53.050 -0.746 0.000 0.877 564 N CB 0.436 38.758 38.487 -0.275 0.000 1.419 564 N HN 0.720 nan 8.380 nan 0.000 0.517 565 W N 8.155 129.317 121.300 -0.230 0.000 2.291 565 W HA 0.366 5.026 4.660 -0.000 0.000 0.312 565 W C -1.855 174.569 176.519 -0.159 0.000 1.061 565 W CA -2.053 55.196 57.345 -0.160 0.000 1.296 565 W CB 1.343 30.749 29.460 -0.091 0.000 1.223 565 W HN 0.499 nan 8.180 nan 0.000 0.421 566 P HA -0.214 nan 4.420 nan 0.000 0.214 566 P C 0.439 177.682 177.300 -0.094 0.000 1.169 566 P CA 1.700 64.674 63.100 -0.211 0.000 0.908 566 P CB 0.746 32.273 31.700 -0.287 0.000 0.791 567 I N -1.578 118.860 120.570 -0.221 0.000 2.377 567 I HA 0.225 4.395 4.170 -0.000 0.000 0.293 567 I C 0.580 176.867 176.117 0.282 0.000 0.987 567 I CA -1.376 59.947 61.300 0.040 0.000 1.185 567 I CB 0.964 38.955 38.000 -0.016 0.000 1.341 567 I HN -0.122 nan 8.210 nan 0.000 0.455 568 Y N 6.013 126.450 120.300 0.229 0.000 2.357 568 Y HA 0.399 4.949 4.550 -0.000 0.000 0.340 568 Y C 0.356 176.369 175.900 0.188 0.000 1.260 568 Y CA 0.201 58.476 58.100 0.290 0.000 1.425 568 Y CB 0.912 39.583 38.460 0.352 0.000 1.326 568 Y HN 0.631 nan 8.280 nan 0.000 0.580 569 S N 3.951 118.883 115.700 -1.279 0.000 2.604 569 S HA 0.309 4.779 4.470 -0.000 0.000 0.296 569 S C -0.147 173.803 174.600 -1.083 0.000 1.097 569 S CA -0.830 56.794 58.200 -0.960 0.000 0.883 569 S CB 0.903 63.880 63.200 -0.371 0.000 1.081 569 S HN 0.883 nan 8.310 nan 0.000 0.448 570 R N 1.721 121.780 120.500 -0.734 0.000 2.075 570 R HA -0.040 4.300 4.340 -0.000 0.000 0.232 570 R C 1.420 177.493 176.300 -0.379 0.000 1.126 570 R CA 1.934 57.766 56.100 -0.446 0.000 0.963 570 R CB -0.309 29.844 30.300 -0.244 0.000 0.858 570 R HN 0.674 nan 8.270 nan 0.000 0.435 571 E N 0.709 120.572 120.200 -0.561 0.000 2.085 571 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 571 E C 1.780 178.186 176.600 -0.324 0.000 0.994 571 E CA 1.307 57.182 56.400 -0.874 0.000 0.801 571 E CB -0.021 28.837 29.700 -1.403 0.000 0.743 571 E HN 0.014 nan 8.360 nan 0.000 0.453 572 K N 0.469 120.666 120.400 -0.337 0.000 2.031 572 K HA -0.062 4.258 4.320 -0.000 0.000 0.205 572 K C 1.863 178.296 176.600 -0.279 0.000 1.049 572 K CA 0.709 56.816 56.287 -0.301 0.000 0.939 572 K CB -0.502 31.738 32.500 -0.434 0.000 0.717 572 K HN 0.134 nan 8.250 nan 0.000 0.438 573 L N 1.092 122.140 121.223 -0.292 0.000 2.017 573 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 573 L C 2.089 178.937 176.870 -0.036 0.000 1.073 573 L CA 2.656 57.391 54.840 -0.175 0.000 0.745 573 L CB -1.250 40.709 42.059 -0.165 0.000 0.894 573 L HN 0.543 nan 8.230 nan 0.000 0.432 574 T N -4.580 109.959 114.554 -0.024 0.000 2.881 574 T HA -0.118 4.232 4.350 -0.000 0.000 0.270 574 T C 1.848 176.511 174.700 -0.062 0.000 1.068 574 T CA 1.522 63.621 62.100 -0.001 0.000 1.131 574 T CB -0.609 68.399 68.868 0.234 0.000 0.871 574 T HN 0.343 nan 8.240 nan 0.000 0.479 575 S N 1.190 116.933 115.700 0.073 0.000 2.425 575 S HA 0.616 5.086 4.470 -0.000 0.000 0.225 575 S C 0.871 175.330 174.600 -0.234 0.000 1.024 575 S CA 0.217 58.370 58.200 -0.078 0.000 0.951 575 S CB -0.036 63.258 63.200 0.155 0.000 0.796 575 S HN 0.952 nan 8.310 nan 0.000 0.498 576 A N 0.723 123.472 122.820 -0.118 0.000 2.594 576 A HA 0.701 5.021 4.320 -0.000 0.000 0.295 576 A C -0.890 176.560 177.584 -0.223 0.000 1.071 576 A CA -0.780 51.215 52.037 -0.071 0.000 0.685 576 A CB 0.738 19.700 19.000 -0.063 0.000 1.285 576 A HN 0.121 nan 8.150 nan 0.000 0.405 577 M N 3.147 122.511 119.600 -0.392 0.000 2.821 577 M HA 0.258 4.738 4.480 -0.000 0.000 0.305 577 M C 0.243 176.409 176.300 -0.223 0.000 1.466 577 M CA -0.389 54.512 55.300 -0.666 0.000 1.526 577 M CB -1.145 30.967 32.600 -0.813 0.000 1.321 577 M HN 0.593 nan 8.290 nan 0.000 0.492 578 I N -0.094 120.325 120.570 -0.251 0.000 3.860 578 I HA 0.241 4.411 4.170 -0.000 0.000 0.319 578 I C 0.638 176.392 176.117 -0.605 0.000 1.279 578 I CA -0.207 60.934 61.300 -0.266 0.000 1.220 578 I CB -0.355 37.435 38.000 -0.351 0.000 1.027 578 I HN 0.531 nan 8.210 nan 0.000 0.428 579 C N 4.555 123.548 119.300 -0.511 0.000 2.485 579 C HA 0.177 4.637 4.460 -0.000 0.000 0.408 579 C C 1.149 175.862 174.990 -0.462 0.000 1.034 579 C CA -0.365 58.174 59.018 -0.798 0.000 1.267 579 C CB -2.140 25.167 27.740 -0.722 0.000 1.703 579 C HN 0.409 nan 8.230 nan 0.000 0.530 580 H N 2.240 121.391 119.070 0.136 0.000 2.540 580 H HA 0.110 4.666 4.556 -0.000 0.000 0.383 580 H C 0.544 175.882 175.328 0.018 0.000 1.859 580 H CA 0.526 56.649 56.048 0.125 0.000 1.451 580 H CB 0.219 30.122 29.762 0.235 0.000 1.584 580 H HN 0.567 nan 8.280 nan 0.000 0.575 581 H N -0.137 118.986 119.070 0.089 0.000 2.473 581 H HA 0.162 4.718 4.556 -0.000 0.000 0.327 581 H C -0.710 174.590 175.328 -0.046 0.000 1.105 581 H CA -0.327 55.593 56.048 -0.213 0.000 1.280 581 H CB 0.715 30.017 29.762 -0.766 0.000 1.450 581 H HN 0.323 nan 8.280 nan 0.000 0.492 582 F N 3.465 123.439 119.950 0.041 0.000 2.520 582 F HA 0.478 5.005 4.527 -0.000 0.000 0.322 582 F C -0.980 174.877 175.800 0.096 0.000 1.103 582 F CA -0.933 57.096 58.000 0.047 0.000 0.926 582 F CB 1.024 40.137 39.000 0.187 0.000 1.154 582 F HN 0.362 nan 8.300 nan 0.000 0.453 583 R N 6.234 126.599 120.500 -0.226 0.000 2.514 583 R HA 0.681 5.021 4.340 -0.000 0.000 0.301 583 R C -0.901 175.259 176.300 -0.233 0.000 0.962 583 R CA -0.665 55.330 56.100 -0.175 0.000 0.882 583 R CB 1.892 32.048 30.300 -0.241 0.000 1.143 583 R HN 0.692 nan 8.270 nan 0.000 0.452 584 M N 3.711 123.248 119.600 -0.104 0.000 2.530 584 M HA 0.590 5.070 4.480 -0.000 0.000 0.307 584 M C -1.283 175.209 176.300 0.321 0.000 1.161 584 M CA -0.799 54.488 55.300 -0.020 0.000 0.903 584 M CB 1.911 34.546 32.600 0.058 0.000 1.711 584 M HN 0.615 nan 8.290 nan 0.000 0.451 585 F N -1.853 118.248 119.950 0.252 0.000 2.686 585 F HA 0.630 5.157 4.527 -0.000 0.000 0.311 585 F C -0.595 175.192 175.800 -0.021 0.000 1.128 585 F CA -1.012 57.102 58.000 0.189 0.000 0.946 585 F CB 0.834 39.891 39.000 0.096 0.000 1.336 585 F HN 0.330 nan 8.300 nan 0.000 0.457 586 T N 1.099 115.686 114.554 0.054 0.000 2.913 586 T HA 0.477 4.827 4.350 -0.000 0.000 0.297 586 T C 1.084 175.577 174.700 -0.345 0.000 1.029 586 T CA 0.491 62.319 62.100 -0.453 0.000 1.104 586 T CB 1.404 70.002 68.868 -0.449 0.000 0.964 586 T HN 0.887 nan 8.240 nan 0.000 0.532 587 A N 3.904 126.234 122.820 -0.816 0.000 1.855 587 A HA -0.052 4.268 4.320 -0.000 0.000 0.215 587 A C 2.267 179.694 177.584 -0.261 0.000 1.191 587 A CA 1.595 53.376 52.037 -0.427 0.000 0.613 587 A CB -0.542 18.150 19.000 -0.512 0.000 0.829 587 A HN 0.891 nan 8.150 nan 0.000 0.442 588 R N -0.154 120.049 120.500 -0.494 0.000 2.113 588 R HA -0.199 4.141 4.340 -0.000 0.000 0.244 588 R C 2.220 178.396 176.300 -0.206 0.000 1.142 588 R CA 1.875 57.758 56.100 -0.363 0.000 0.953 588 R CB -0.506 29.457 30.300 -0.561 0.000 0.860 588 R HN 0.425 nan 8.270 nan 0.000 0.438 589 A N -0.070 122.651 122.820 -0.165 0.000 1.972 589 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 589 A C 1.878 179.450 177.584 -0.020 0.000 1.169 589 A CA 1.297 53.302 52.037 -0.053 0.000 0.635 589 A CB -0.987 18.010 19.000 -0.005 0.000 0.810 589 A HN 0.752 nan 8.150 nan 0.000 0.446 590 W N 1.442 122.659 121.300 -0.137 0.000 2.381 590 W HA -0.124 4.536 4.660 -0.000 0.000 0.301 590 W C 1.699 178.116 176.519 -0.170 0.000 1.205 590 W CA 1.678 58.907 57.345 -0.194 0.000 1.285 590 W CB -0.171 29.259 29.460 -0.051 0.000 1.133 590 W HN 0.338 nan 8.180 nan 0.000 0.521 591 N N 0.454 119.126 118.700 -0.046 0.000 2.381 591 N HA -0.116 4.624 4.740 -0.000 0.000 0.182 591 N C 1.548 176.934 175.510 -0.208 0.000 1.025 591 N CA 1.269 54.215 53.050 -0.173 0.000 0.888 591 N CB -0.593 37.883 38.487 -0.017 0.000 0.965 591 N HN 0.295 nan 8.380 nan 0.000 0.438 592 L N 0.769 121.903 121.223 -0.149 0.000 2.610 592 L HA 0.011 4.351 4.340 -0.000 0.000 0.232 592 L C 1.114 177.892 176.870 -0.153 0.000 1.149 592 L CA 0.265 55.063 54.840 -0.069 0.000 0.872 592 L CB -0.436 41.650 42.059 0.044 0.000 0.992 592 L HN 0.185 nan 8.230 nan 0.000 0.447 593 T N -4.163 110.186 114.554 -0.340 0.000 2.841 593 T HA 0.255 4.605 4.350 -0.000 0.000 0.276 593 T C 0.521 174.927 174.700 -0.490 0.000 1.003 593 T CA -0.723 61.138 62.100 -0.399 0.000 0.995 593 T CB 1.495 70.051 68.868 -0.519 0.000 1.260 593 T HN 0.244 nan 8.240 nan 0.000 0.581 594 E N -0.154 119.782 120.200 -0.440 0.000 2.394 594 E HA 0.494 4.844 4.350 -0.000 0.000 0.191 594 E C 1.036 177.359 176.600 -0.463 0.000 1.044 594 E CA -0.498 55.667 56.400 -0.392 0.000 0.939 594 E CB -0.754 28.792 29.700 -0.256 0.000 1.089 594 E HN 1.203 nan 8.360 nan 0.000 0.456 595 G N 0.877 109.221 108.800 -0.760 0.000 2.750 595 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.228 595 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.228 595 G C -0.453 174.231 174.900 -0.361 0.000 1.367 595 G CA -0.408 44.286 45.100 -0.676 0.000 0.871 595 G HN 0.233 nan 8.290 nan 0.000 0.560 596 F N 0.981 120.946 119.950 0.025 0.000 2.459 596 F HA 0.305 4.832 4.527 -0.000 0.000 0.346 596 F C 1.313 177.084 175.800 -0.049 0.000 1.128 596 F CA -0.101 57.895 58.000 -0.006 0.000 1.268 596 F CB 0.679 39.709 39.000 0.051 0.000 1.161 596 F HN 0.484 nan 8.300 nan 0.000 0.583 597 N N 2.935 121.696 118.700 0.102 0.000 2.406 597 N HA -0.042 4.698 4.740 -0.000 0.000 0.265 597 N C 0.134 175.665 175.510 0.035 0.000 1.203 597 N CA 0.210 53.266 53.050 0.009 0.000 0.945 597 N CB 0.331 38.784 38.487 -0.056 0.000 1.165 597 N HN 0.706 nan 8.380 nan 0.000 0.485 598 E N 1.566 121.781 120.200 0.026 0.000 2.403 598 E HA -0.034 4.316 4.350 -0.000 0.000 0.187 598 E C 0.643 177.238 176.600 -0.008 0.000 1.073 598 E CA -0.065 56.348 56.400 0.021 0.000 0.888 598 E CB 0.348 30.065 29.700 0.028 0.000 1.035 598 E HN 0.505 nan 8.360 nan 0.000 0.471 599 S N 0.342 116.020 115.700 -0.036 0.000 2.545 599 S HA 0.090 4.560 4.470 -0.000 0.000 0.232 599 S C 0.969 175.523 174.600 -0.077 0.000 1.070 599 S CA -0.393 57.777 58.200 -0.050 0.000 0.923 599 S CB 0.254 63.416 63.200 -0.064 0.000 0.806 599 S HN 0.334 nan 8.310 nan 0.000 0.506 600 I N -0.266 120.210 120.570 -0.157 0.000 2.834 600 I HA 0.523 4.693 4.170 -0.000 0.000 0.305 600 I C 0.416 176.512 176.117 -0.035 0.000 1.008 600 I CA -0.455 60.669 61.300 -0.293 0.000 1.273 600 I CB 1.543 39.171 38.000 -0.620 0.000 1.432 600 I HN -0.084 nan 8.210 nan 0.000 0.557 601 S N 2.118 117.908 115.700 0.150 0.000 2.539 601 S HA 0.219 4.689 4.470 -0.000 0.000 0.221 601 S C -0.442 174.260 174.600 0.169 0.000 0.987 601 S CA -0.356 57.935 58.200 0.153 0.000 0.929 601 S CB -0.756 62.537 63.200 0.155 0.000 0.832 601 S HN 0.913 nan 8.310 nan 0.000 0.492 602 N N -1.437 117.396 118.700 0.223 0.000 3.322 602 N HA 0.534 5.274 4.740 -0.000 0.000 0.233 602 N C -0.319 175.318 175.510 0.211 0.000 1.399 602 N CA -0.419 52.759 53.050 0.214 0.000 0.894 602 N CB 0.492 39.115 38.487 0.227 0.000 1.440 602 N HN 0.004 nan 8.380 nan 0.000 0.503 603 A N -1.499 121.457 122.820 0.227 0.000 3.021 603 A HA -0.195 4.125 4.320 -0.000 0.000 0.257 603 A C 1.070 178.751 177.584 0.161 0.000 1.277 603 A CA 1.001 53.182 52.037 0.241 0.000 1.012 603 A CB -2.487 16.661 19.000 0.246 0.000 1.147 603 A HN 0.839 nan 8.150 nan 0.000 0.861 604 V N 1.306 121.310 119.914 0.150 0.000 2.343 604 V HA -0.304 3.816 4.120 -0.000 0.000 0.247 604 V C 2.571 178.789 176.094 0.207 0.000 1.051 604 V CA 2.646 65.034 62.300 0.147 0.000 1.036 604 V CB -0.667 31.252 31.823 0.161 0.000 0.654 604 V HN 0.927 nan 8.190 nan 0.000 0.451 605 D N -0.764 119.789 120.400 0.255 0.000 2.117 605 D HA -0.259 4.381 4.640 -0.000 0.000 0.198 605 D C 2.150 178.638 176.300 0.313 0.000 0.982 605 D CA 1.414 55.602 54.000 0.314 0.000 0.828 605 D CB -0.715 40.295 40.800 0.351 0.000 0.967 605 D HN 0.433 nan 8.370 nan 0.000 0.464 606 Y N 1.862 122.220 120.300 0.096 0.000 2.145 606 Y HA -0.176 4.374 4.550 -0.000 0.000 0.286 606 Y C 1.940 177.787 175.900 -0.088 0.000 1.145 606 Y CA 1.723 59.819 58.100 -0.007 0.000 1.148 606 Y CB -0.945 37.431 38.460 -0.139 0.000 0.981 606 Y HN 0.052 nan 8.280 nan 0.000 0.507 607 D N -0.683 119.687 120.400 -0.049 0.000 2.149 607 D HA -0.230 4.410 4.640 -0.000 0.000 0.198 607 D C 2.167 178.340 176.300 -0.212 0.000 0.990 607 D CA 1.473 55.348 54.000 -0.209 0.000 0.839 607 D CB -0.193 40.510 40.800 -0.163 0.000 0.948 607 D HN 0.284 nan 8.370 nan 0.000 0.460 608 M N -0.711 118.761 119.600 -0.213 0.000 2.077 608 M HA -0.072 4.408 4.480 -0.000 0.000 0.261 608 M C 1.340 177.341 176.300 -0.499 0.000 1.070 608 M CA 1.552 56.567 55.300 -0.475 0.000 1.125 608 M CB -0.844 31.363 32.600 -0.655 0.000 1.339 608 M HN 0.123 nan 8.290 nan 0.000 0.409 609 Y N -0.764 119.514 120.300 -0.037 0.000 2.439 609 Y HA -0.073 4.477 4.550 0.000 0.000 0.292 609 Y C 2.029 177.962 175.900 0.056 0.000 1.130 609 Y CA 0.673 58.813 58.100 0.067 0.000 1.254 609 Y CB -0.737 37.790 38.460 0.112 0.000 1.000 609 Y HN 0.191 nan 8.280 nan 0.000 0.554 610 L N 0.281 121.521 121.223 0.029 0.000 2.156 610 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 610 L C 1.949 178.753 176.870 -0.110 0.000 1.095 610 L CA 1.613 56.397 54.840 -0.094 0.000 0.770 610 L CB -0.568 41.312 42.059 -0.298 0.000 0.914 610 L HN 0.071 nan 8.230 nan 0.000 0.439 611 K N -1.013 119.301 120.400 -0.143 0.000 2.062 611 K HA -0.075 4.245 4.320 -0.000 0.000 0.205 611 K C 2.012 178.576 176.600 -0.060 0.000 1.051 611 K CA 1.102 57.300 56.287 -0.148 0.000 0.941 611 K CB -0.222 32.126 32.500 -0.254 0.000 0.719 611 K HN 0.236 nan 8.250 nan 0.000 0.440 612 L N 1.384 122.602 121.223 -0.009 0.000 2.131 612 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 612 L C 2.486 179.582 176.870 0.377 0.000 1.092 612 L CA 1.306 56.246 54.840 0.166 0.000 0.759 612 L CB -0.662 41.514 42.059 0.196 0.000 0.903 612 L HN 0.254 nan 8.230 nan 0.000 0.435 613 S N -0.763 115.051 115.700 0.189 0.000 2.507 613 S HA -0.156 4.313 4.470 -0.000 0.000 0.235 613 S C 1.504 176.093 174.600 -0.018 0.000 0.988 613 S CA 0.937 59.004 58.200 -0.221 0.000 0.944 613 S CB -0.305 62.628 63.200 -0.446 0.000 0.762 613 S HN 0.547 nan 8.310 nan 0.000 0.526 614 E N 0.334 120.571 120.200 0.060 0.000 2.447 614 E HA 0.124 4.474 4.350 -0.000 0.000 0.195 614 E C 1.295 178.043 176.600 0.246 0.000 1.028 614 E CA 0.369 56.845 56.400 0.127 0.000 0.876 614 E CB 0.257 30.014 29.700 0.095 0.000 0.885 614 E HN 0.459 nan 8.360 nan 0.000 0.500 615 V N -0.228 119.801 119.914 0.190 0.000 3.263 615 V HA 0.253 4.373 4.120 -0.000 0.000 0.248 615 V C 0.840 176.910 176.094 -0.039 0.000 1.145 615 V CA 0.770 63.172 62.300 0.170 0.000 1.107 615 V CB 1.052 32.980 31.823 0.176 0.000 0.797 615 V HN 0.245 nan 8.190 nan 0.000 0.467 616 G N 0.206 109.055 108.800 0.082 0.000 2.608 616 G HA2 0.527 4.487 3.960 -0.000 0.000 0.291 616 G HA3 0.527 4.487 3.960 -0.000 0.000 0.291 616 G C -3.367 171.674 174.900 0.234 0.000 1.425 616 G CA -0.866 44.279 45.100 0.076 0.000 0.787 616 G HN -0.111 nan 8.290 nan 0.000 0.484 617 P HA 0.544 nan 4.420 nan 0.000 0.276 617 P C -1.182 176.361 177.300 0.406 0.000 1.244 617 P CA -0.230 63.035 63.100 0.275 0.000 0.801 617 P CB 1.230 33.037 31.700 0.178 0.000 1.006 618 F N 0.861 120.658 119.950 -0.255 0.000 2.541 618 F HA 0.644 5.171 4.527 -0.000 0.000 0.331 618 F C 0.741 176.364 175.800 -0.295 0.000 1.057 618 F CA -0.895 56.797 58.000 -0.512 0.000 0.975 618 F CB 1.383 39.515 39.000 -1.447 0.000 1.246 618 F HN 0.173 nan 8.300 nan 0.000 0.484 619 K N 0.746 121.151 120.400 0.008 0.000 2.535 619 K HA 0.255 4.575 4.320 -0.000 0.000 0.250 619 K C -1.558 175.011 176.600 -0.052 0.000 0.948 619 K CA -0.448 55.848 56.287 0.015 0.000 0.796 619 K CB 0.981 33.437 32.500 -0.073 0.000 1.216 619 K HN 0.705 nan 8.250 nan 0.000 0.432 620 H N 5.415 124.348 119.070 -0.229 0.000 2.469 620 H HA 0.504 5.060 4.556 -0.000 0.000 0.342 620 H C -0.845 174.279 175.328 -0.340 0.000 1.115 620 H CA -0.695 54.977 56.048 -0.627 0.000 1.204 620 H CB 1.004 30.245 29.762 -0.869 0.000 1.492 620 H HN 0.575 nan 8.280 nan 0.000 0.499 621 I N 4.062 124.037 120.570 -0.991 0.000 2.377 621 I HA 0.087 4.257 4.170 -0.000 0.000 0.293 621 I C 0.261 175.856 176.117 -0.870 0.000 0.987 621 I CA -0.810 60.091 61.300 -0.664 0.000 1.185 621 I CB 1.337 39.108 38.000 -0.380 0.000 1.341 621 I HN 0.517 nan 8.210 nan 0.000 0.455 622 N N 7.167 125.593 118.700 -0.456 0.000 3.245 622 N HA 0.172 4.912 4.740 -0.000 0.000 0.296 622 N C -0.695 174.730 175.510 -0.142 0.000 1.254 622 N CA -0.059 52.856 53.050 -0.225 0.000 1.190 622 N CB 0.342 38.790 38.487 -0.064 0.000 1.460 622 N HN 0.400 nan 8.380 nan 0.000 0.538 623 K N 0.825 121.135 120.400 -0.150 0.000 2.435 623 K HA 0.469 4.789 4.320 -0.000 0.000 0.251 623 K C -0.027 176.548 176.600 -0.042 0.000 0.954 623 K CA -0.594 55.642 56.287 -0.085 0.000 0.820 623 K CB 2.346 34.792 32.500 -0.091 0.000 1.292 623 K HN 0.126 nan 8.250 nan 0.000 0.436 624 I N 2.351 122.904 120.570 -0.028 0.000 2.269 624 I HA 0.100 4.270 4.170 -0.000 0.000 0.293 624 I C 0.272 176.379 176.117 -0.017 0.000 1.106 624 I CA -0.264 61.032 61.300 -0.008 0.000 1.248 624 I CB 0.103 38.093 38.000 -0.016 0.000 1.444 624 I HN 0.481 nan 8.210 nan 0.000 0.497 625 C N 5.107 124.414 119.300 0.012 0.000 3.104 625 C HA 0.237 4.697 4.460 -0.000 0.000 0.284 625 C C 0.308 175.289 174.990 -0.016 0.000 1.326 625 C CA -0.333 58.670 59.018 -0.024 0.000 1.725 625 C CB -1.084 26.644 27.740 -0.020 0.000 2.156 625 C HN 0.617 nan 8.230 nan 0.000 0.638 626 Y N 1.214 121.430 120.300 -0.140 0.000 2.545 626 Y HA 0.457 5.007 4.550 -0.000 0.000 0.348 626 Y C -0.666 175.063 175.900 -0.285 0.000 1.002 626 Y CA -0.623 57.359 58.100 -0.197 0.000 1.039 626 Y CB 1.045 39.473 38.460 -0.054 0.000 1.271 626 Y HN 0.036 nan 8.280 nan 0.000 0.467 627 N N 4.268 122.552 118.700 -0.694 0.000 2.851 627 N HA 0.184 4.923 4.740 -0.000 0.000 0.248 627 N C -1.138 174.071 175.510 -0.502 0.000 1.221 627 N CA -0.584 52.026 53.050 -0.733 0.000 0.847 627 N CB 1.109 38.572 38.487 -1.706 0.000 1.150 627 N HN 0.487 nan 8.380 nan 0.000 0.507 628 R N 0.652 121.103 120.500 -0.082 0.000 2.594 628 R HA 0.320 4.660 4.340 -0.000 0.000 0.272 628 R C -0.753 175.538 176.300 -0.015 0.000 1.074 628 R CA -0.108 56.026 56.100 0.056 0.000 1.105 628 R CB 0.597 31.012 30.300 0.193 0.000 1.008 628 R HN 0.053 nan 8.270 nan 0.000 0.472 629 V N 6.038 125.937 119.914 -0.024 0.000 2.398 629 V HA 0.340 4.460 4.120 -0.000 0.000 0.286 629 V C -0.334 175.564 176.094 -0.327 0.000 1.026 629 V CA -0.870 61.357 62.300 -0.123 0.000 0.868 629 V CB 1.495 33.261 31.823 -0.096 0.000 0.982 629 V HN 0.546 nan 8.190 nan 0.000 0.443 630 L N 5.085 126.151 121.223 -0.262 0.000 2.325 630 L HA 0.595 4.935 4.340 -0.000 0.000 0.279 630 L C -0.061 176.602 176.870 -0.344 0.000 1.054 630 L CA -0.135 54.571 54.840 -0.223 0.000 0.804 630 L CB 1.198 43.231 42.059 -0.044 0.000 1.200 630 L HN 0.749 nan 8.230 nan 0.000 0.436 642 I N 1.011 121.554 120.570 -0.044 0.000 2.494 642 I HA -0.127 4.043 4.170 -0.000 0.000 0.250 642 I C 2.297 178.372 176.117 -0.070 0.000 1.112 642 I CA 0.759 62.031 61.300 -0.046 0.000 1.438 642 I CB -0.041 37.933 38.000 -0.043 0.000 1.111 642 I HN 0.040 nan 8.210 nan 0.000 0.431 643 Q N 1.309 121.034 119.800 -0.125 0.000 2.331 643 Q HA -0.070 4.270 4.340 -0.000 0.000 0.203 643 Q C 1.660 177.537 176.000 -0.205 0.000 0.944 643 Q CA 0.992 56.636 55.803 -0.264 0.000 0.892 643 Q CB -0.404 28.067 28.738 -0.445 0.000 0.983 643 Q HN 0.293 nan 8.270 nan 0.000 0.482 644 K N 1.596 121.949 120.400 -0.079 0.000 2.009 644 K HA -0.170 4.150 4.320 -0.000 0.000 0.210 644 K C 1.923 178.570 176.600 0.078 0.000 1.049 644 K CA 1.838 58.135 56.287 0.016 0.000 0.929 644 K CB -0.238 32.266 32.500 0.007 0.000 0.714 644 K HN 0.548 nan 8.250 nan 0.000 0.440 645 E N 0.624 120.845 120.200 0.034 0.000 2.208 645 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 645 E C 1.831 178.526 176.600 0.159 0.000 0.988 645 E CA 0.520 56.960 56.400 0.067 0.000 0.828 645 E CB 0.032 29.736 29.700 0.007 0.000 0.763 645 E HN 0.333 nan 8.360 nan 0.000 0.478 646 N N -0.526 118.229 118.700 0.091 0.000 2.062 646 N HA -0.186 4.554 4.740 -0.000 0.000 0.191 646 N C 1.860 177.493 175.510 0.206 0.000 1.042 646 N CA 1.096 54.206 53.050 0.100 0.000 0.845 646 N CB -0.123 38.367 38.487 0.005 0.000 1.024 646 N HN 0.274 nan 8.380 nan 0.000 0.424 647 H N -1.392 117.745 119.070 0.111 0.000 2.457 647 H HA -0.146 4.410 4.556 -0.000 0.000 0.297 647 H C 1.660 177.065 175.328 0.129 0.000 1.092 647 H CA 0.917 57.022 56.048 0.095 0.000 1.309 647 H CB 0.014 29.832 29.762 0.093 0.000 1.382 647 H HN 0.309 nan 8.280 nan 0.000 0.535 648 F N 1.837 121.898 119.950 0.185 0.000 2.060 648 F HA -0.179 4.348 4.527 -0.000 0.000 0.295 648 F C 2.156 178.015 175.800 0.098 0.000 1.120 648 F CA 1.426 59.531 58.000 0.175 0.000 1.205 648 F CB 0.040 39.142 39.000 0.170 0.000 0.986 648 F HN -0.163 nan 8.300 nan 0.000 0.470 649 K N 0.167 120.762 120.400 0.324 0.000 2.097 649 K HA -0.105 4.215 4.320 -0.000 0.000 0.206 649 K C 1.935 178.531 176.600 -0.006 0.000 1.049 649 K CA 1.429 57.837 56.287 0.203 0.000 0.933 649 K CB -0.885 31.777 32.500 0.269 0.000 0.717 649 K HN 0.199 nan 8.250 nan 0.000 0.442 650 V N 0.314 120.235 119.914 0.011 0.000 2.469 650 V HA -0.225 3.895 4.120 -0.000 0.000 0.251 650 V C 2.101 178.091 176.094 -0.173 0.000 1.064 650 V CA 1.446 63.716 62.300 -0.050 0.000 1.066 650 V CB -0.527 31.299 31.823 0.004 0.000 0.667 650 V HN 0.041 nan 8.190 nan 0.000 0.461 651 V N 1.180 120.932 119.914 -0.269 0.000 2.295 651 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 651 V C 2.182 177.948 176.094 -0.547 0.000 1.049 651 V CA 2.559 64.596 62.300 -0.438 0.000 1.024 651 V CB -1.019 30.431 31.823 -0.621 0.000 0.648 651 V HN 0.642 nan 8.190 nan 0.000 0.447 652 N N -0.135 118.168 118.700 -0.661 0.000 2.244 652 N HA -0.130 4.610 4.740 -0.000 0.000 0.183 652 N C 1.727 176.996 175.510 -0.402 0.000 1.016 652 N CA 0.964 53.612 53.050 -0.669 0.000 0.866 652 N CB -0.239 37.614 38.487 -1.056 0.000 0.980 652 N HN 0.435 nan 8.380 nan 0.000 0.430 653 E N 0.745 120.769 120.200 -0.294 0.000 2.031 653 E HA -0.064 4.286 4.350 -0.000 0.000 0.193 653 E C 1.976 178.486 176.600 -0.150 0.000 0.994 653 E CA 0.915 57.218 56.400 -0.162 0.000 0.800 653 E CB -0.685 28.956 29.700 -0.098 0.000 0.752 653 E HN 0.226 nan 8.360 nan 0.000 0.447 654 S N 1.548 117.144 115.700 -0.174 0.000 2.402 654 S HA -0.118 4.352 4.470 -0.000 0.000 0.233 654 S C 1.766 176.271 174.600 -0.159 0.000 1.030 654 S CA 0.451 58.558 58.200 -0.155 0.000 1.003 654 S CB -0.256 62.840 63.200 -0.173 0.000 0.813 654 S HN 0.198 nan 8.310 nan 0.000 0.477 655 L N 1.871 122.971 121.223 -0.204 0.000 2.189 655 L HA -0.037 4.303 4.340 -0.000 0.000 0.214 655 L C 0.638 177.448 176.870 -0.099 0.000 1.097 655 L CA 1.426 56.161 54.840 -0.176 0.000 0.764 655 L CB -1.263 40.661 42.059 -0.225 0.000 0.900 655 L HN 0.160 nan 8.230 nan 0.000 0.436 656 S N 1.150 116.799 115.700 -0.084 0.000 4.085 656 S HA 0.100 4.570 4.470 -0.000 0.000 0.189 656 S C 1.181 175.756 174.600 -0.042 0.000 1.392 656 S CA -0.266 57.913 58.200 -0.034 0.000 0.972 656 S CB -0.525 62.669 63.200 -0.011 0.000 1.482 656 S HN 0.522 nan 8.310 nan 0.000 0.446 657 R N 0.174 120.643 120.500 -0.052 0.000 2.535 657 R HA 0.349 4.689 4.340 -0.000 0.000 0.323 657 R C 0.629 176.901 176.300 -0.047 0.000 0.979 657 R CA -0.226 55.838 56.100 -0.060 0.000 1.120 657 R CB -0.174 30.076 30.300 -0.083 0.000 1.306 657 R HN 0.337 nan 8.270 nan 0.000 0.540 658 L N 0.608 121.818 121.223 -0.022 0.000 2.607 658 L HA 0.364 4.704 4.340 -0.000 0.000 0.228 658 L C 0.930 177.805 176.870 0.007 0.000 1.123 658 L CA 0.616 55.457 54.840 0.002 0.000 0.890 658 L CB 0.568 42.649 42.059 0.037 0.000 1.103 658 L HN 0.650 nan 8.230 nan 0.000 0.468 659 G N 0.623 109.421 108.800 -0.003 0.000 2.241 659 G HA2 -0.283 3.676 3.960 -0.000 0.000 0.244 659 G HA3 -0.283 3.676 3.960 -0.000 0.000 0.244 659 G C 0.225 175.140 174.900 0.025 0.000 0.998 659 G CA -0.320 44.782 45.100 0.003 0.000 0.621 659 G HN 0.161 nan 8.290 nan 0.000 0.519 660 I N 1.426 122.025 120.570 0.048 0.000 2.828 660 I HA 0.208 4.378 4.170 -0.000 0.000 0.292 660 I C 1.377 177.539 176.117 0.075 0.000 1.206 660 I CA 1.344 62.693 61.300 0.082 0.000 1.420 660 I CB 0.945 39.016 38.000 0.118 0.000 1.368 660 I HN 0.290 nan 8.210 nan 0.000 0.556 661 K N 4.744 125.189 120.400 0.075 0.000 2.548 661 K HA 0.082 4.402 4.320 -0.000 0.000 0.209 661 K C 1.575 178.197 176.600 0.037 0.000 1.420 661 K CA -0.063 56.252 56.287 0.047 0.000 0.985 661 K CB 0.370 32.880 32.500 0.017 0.000 1.249 661 K HN 0.531 nan 8.250 nan 0.000 0.557 662 K N 0.046 120.474 120.400 0.046 0.000 2.280 662 K HA -0.081 4.239 4.320 -0.000 0.000 0.202 662 K C 0.025 176.495 176.600 -0.216 0.000 1.047 662 K CA 1.090 57.338 56.287 -0.066 0.000 0.942 662 K CB -0.071 32.407 32.500 -0.036 0.000 0.739 662 K HN -0.008 nan 8.250 nan 0.000 0.457 663 Y N 0.555 120.887 120.300 0.054 0.000 2.562 663 Y HA 0.442 4.992 4.550 -0.000 0.000 0.343 663 Y C -0.296 175.672 175.900 0.112 0.000 1.025 663 Y CA -1.095 57.073 58.100 0.114 0.000 1.082 663 Y CB 2.206 40.786 38.460 0.200 0.000 1.264 663 Y HN -0.202 nan 8.280 nan 0.000 0.478 664 K N 0.725 121.296 120.400 0.285 0.000 2.435 664 K HA 0.404 4.724 4.320 -0.000 0.000 0.251 664 K C -2.203 174.433 176.600 0.061 0.000 0.954 664 K CA -0.894 55.470 56.287 0.128 0.000 0.820 664 K CB 1.710 34.244 32.500 0.056 0.000 1.292 664 K HN 0.682 nan 8.250 nan 0.000 0.436 665 Y N 1.967 122.130 120.300 -0.229 0.000 2.587 665 Y HA 0.383 4.933 4.550 -0.000 0.000 0.328 665 Y C -1.287 174.489 175.900 -0.207 0.000 0.980 665 Y CA -0.207 57.628 58.100 -0.443 0.000 1.272 665 Y CB 0.959 39.030 38.460 -0.648 0.000 1.094 665 Y HN 0.458 nan 8.280 nan 0.000 0.503 666 S N 7.081 122.599 115.700 -0.303 0.000 2.593 666 S HA 0.543 5.013 4.470 -0.000 0.000 0.297 666 S C -2.767 171.701 174.600 -0.220 0.000 1.112 666 S CA -1.558 56.538 58.200 -0.173 0.000 1.043 666 S CB 1.574 64.723 63.200 -0.085 0.000 1.054 666 S HN 0.470 nan 8.310 nan 0.000 0.516 667 P HA 0.183 nan 4.420 nan 0.000 0.271 667 P C 0.197 177.456 177.300 -0.068 0.000 1.216 667 P CA -0.406 62.660 63.100 -0.056 0.000 0.776 667 P CB 0.445 32.144 31.700 -0.003 0.000 0.881 668 L N 2.315 123.497 121.223 -0.069 0.000 2.591 668 L HA 0.198 4.538 4.340 -0.000 0.000 0.228 668 L C 0.270 177.113 176.870 -0.044 0.000 1.133 668 L CA 1.488 56.286 54.840 -0.069 0.000 0.880 668 L CB -0.447 41.556 42.059 -0.092 0.000 1.033 668 L HN 0.361 nan 8.230 nan 0.000 0.450 669 T N -2.361 112.174 114.554 -0.032 0.000 2.598 669 T HA 0.232 4.582 4.350 -0.000 0.000 0.289 669 T C 0.045 174.734 174.700 -0.018 0.000 1.056 669 T CA -0.462 61.623 62.100 -0.024 0.000 1.088 669 T CB 1.243 70.097 68.868 -0.023 0.000 1.519 669 T HN 0.021 nan 8.240 nan 0.000 0.488 670 N N -0.806 117.885 118.700 -0.016 0.000 2.142 670 N HA 0.272 5.012 4.740 -0.000 0.000 0.233 670 N C -0.761 174.740 175.510 -0.014 0.000 1.335 670 N CA 0.047 53.089 53.050 -0.013 0.000 0.837 670 N CB 0.422 38.903 38.487 -0.011 0.000 1.238 670 N HN 0.360 nan 8.380 nan 0.000 0.501 671 L N 1.955 123.168 121.223 -0.018 0.000 2.477 671 L HA 0.113 4.453 4.340 -0.000 0.000 0.272 671 L C 1.077 177.933 176.870 -0.024 0.000 1.157 671 L CA -0.337 54.491 54.840 -0.020 0.000 0.889 671 L CB 0.445 42.490 42.059 -0.023 0.000 1.158 671 L HN 0.251 nan 8.230 nan 0.000 0.473 672 N N 2.300 120.987 118.700 -0.022 0.000 2.396 672 N HA -0.217 4.523 4.740 -0.000 0.000 0.191 672 N C 0.825 176.314 175.510 -0.036 0.000 1.015 672 N CA 1.342 54.377 53.050 -0.024 0.000 0.893 672 N CB 0.061 38.536 38.487 -0.021 0.000 0.956 672 N HN 0.623 nan 8.380 nan 0.000 0.445 673 E N -0.861 119.313 120.200 -0.043 0.000 2.876 673 E HA 0.131 4.481 4.350 -0.000 0.000 0.208 673 E C -1.110 175.440 176.600 -0.082 0.000 0.981 673 E CA -0.263 56.098 56.400 -0.066 0.000 1.174 673 E CB 0.340 30.008 29.700 -0.053 0.000 1.047 673 E HN 0.118 nan 8.360 nan 0.000 0.477 674 C N 1.479 120.739 119.300 -0.066 0.000 2.349 674 C HA 0.348 4.808 4.460 -0.000 0.000 0.348 674 C C 1.211 176.156 174.990 -0.075 0.000 1.223 674 C CA -0.446 58.536 59.018 -0.060 0.000 1.746 674 C CB -0.358 27.361 27.740 -0.036 0.000 2.360 674 C HN 0.346 nan 8.230 nan 0.000 0.533 675 R N 3.044 123.483 120.500 -0.102 0.000 2.317 675 R HA 0.127 4.467 4.340 -0.000 0.000 0.208 675 R C 0.611 176.959 176.300 0.080 0.000 0.914 675 R CA 0.098 56.130 56.100 -0.113 0.000 1.060 675 R CB -0.185 29.945 30.300 -0.284 0.000 1.015 675 R HN 0.703 nan 8.270 nan 0.000 0.498 676 K N 1.670 122.108 120.400 0.063 0.000 2.448 676 K HA -0.011 4.309 4.320 -0.000 0.000 0.278 676 K C -0.228 176.427 176.600 0.091 0.000 1.009 676 K CA 0.381 56.727 56.287 0.097 0.000 0.995 676 K CB 0.345 32.844 32.500 -0.003 0.000 0.917 676 K HN -0.049 nan 8.250 nan 0.000 0.481 677 Y N -1.332 118.899 120.300 -0.115 0.000 2.686 677 Y HA 0.708 5.258 4.550 -0.000 0.000 0.330 677 Y C -0.265 175.484 175.900 -0.251 0.000 1.082 677 Y CA -1.364 56.535 58.100 -0.335 0.000 1.158 677 Y CB 1.447 39.445 38.460 -0.770 0.000 1.333 677 Y HN 0.443 nan 8.280 nan 0.000 0.519 678 T N 0.241 114.591 114.554 -0.339 0.000 3.193 678 T HA 0.297 4.647 4.350 -0.000 0.000 0.332 678 T C -2.435 172.200 174.700 -0.109 0.000 1.208 678 T CA -0.537 61.454 62.100 -0.181 0.000 1.080 678 T CB 0.190 68.990 68.868 -0.113 0.000 1.180 678 T HN 0.607 nan 8.240 nan 0.000 0.469 679 W N 5.165 126.449 121.300 -0.027 0.000 2.247 679 W HA 0.351 5.011 4.660 -0.000 0.000 0.394 679 W C 1.007 177.592 176.519 0.110 0.000 0.939 679 W CA -0.825 56.565 57.345 0.074 0.000 1.548 679 W CB -0.069 29.428 29.460 0.063 0.000 1.610 679 W HN 0.758 nan 8.180 nan 0.000 0.336 680 E N 1.889 122.196 120.200 0.179 0.000 2.422 680 E HA 0.134 4.483 4.350 -0.000 0.000 0.260 680 E C -0.357 176.285 176.600 0.070 0.000 1.108 680 E CA -0.295 56.162 56.400 0.096 0.000 0.943 680 E CB 0.851 30.565 29.700 0.023 0.000 0.961 680 E HN 0.237 nan 8.360 nan 0.000 0.443 681 K N 2.430 122.808 120.400 -0.037 0.000 2.172 681 K HA 0.462 4.782 4.320 -0.000 0.000 0.276 681 K C -0.050 176.465 176.600 -0.141 0.000 1.013 681 K CA -0.372 55.801 56.287 -0.190 0.000 0.913 681 K CB 0.720 33.118 32.500 -0.170 0.000 1.055 681 K HN 0.565 nan 8.250 nan 0.000 0.461 682 I N 0.000 120.459 120.570 -0.184 0.000 2.984 682 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 682 I CA 0.000 61.236 61.300 -0.106 0.000 1.566 682 I CB 0.000 37.966 38.000 -0.056 0.000 1.214 682 I HN 0.000 nan 8.210 nan 0.000 0.494