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 2bf4_1_B DATA FIRST_RESID 47 DATA SEQUENCE NRDIAQVVTE NNKNYLVLYA SQTGTAEDYA KKFSKELVAK FNLNVMCADV DATA SEQUENCE ENYDFESLND VPVIVSIFIS TYGEGDFPDG AVNFEDFICN AEAGALSNLR DATA SEQUENCE YNMFGLGNST YEFFNGAAKK AEKHLSAAGA IRLGKLGEAD DGAGTTDEDY DATA SEQUENCE MAWKDSILEV LKDELHLDEQ EAKFTSQFQY TVLNEITDSM SLGEPSAHYL DATA SEQUENCE PSHQLNRNAD GIQLGPFDLS QPYIAPIVKS RELFSSNDRN CIHSEFDLSG DATA SEQUENCE SNIKYSTGDH LAVWPSNPLE KVEQFLSIFN LDPETIFDLK PLDPTVKVPF DATA SEQUENCE PTPTTIGAAI KHYLEITGPV SRQLFSSLIQ FAPNADVKEK LTLLSKDKDQ DATA SEQUENCE FAVEITSKYF NIADALKYLS DGAKWDTVPM QFLVESVPQM TPRYYSISSS DATA SEQUENCE SLSEKQTVHV TSIVENFPNP ELPDAPPVVG VTTNLLRNIQ LAQNNVNIAE DATA SEQUENCE TNLPVHYDLN GPRKLFANYK LPVHVRRSNF RLPSNPSTPV IMIGPGTGVA DATA SEQUENCE PFRGFIRERV AFLESQKKGG NNVSLGKHIL FYGSRNTDDF LYQDEWPEYA DATA SEQUENCE KKLDGSFEMV VAHSRLPNTK KVYVQDKLKD YEDQVFEMIN NGAFIYVCGD DATA SEQUENCE AKGMAKGVST ALVGILSRGK SITTDEATEL IKMLKTSGRY QEDVW 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 47 N HA 0.000 nan 4.740 nan 0.000 0.220 47 N C 0.000 175.463 175.510 -0.078 0.000 1.280 47 N CA 0.000 53.026 53.050 -0.039 0.000 0.885 47 N CB 0.000 38.447 38.487 -0.067 0.000 1.341 48 R N 0.800 121.233 120.500 -0.112 0.000 2.356 48 R HA 0.181 4.521 4.340 0.000 0.000 0.234 48 R C -0.681 175.595 176.300 -0.039 0.000 0.929 48 R CA 0.124 56.121 56.100 -0.172 0.000 1.084 48 R CB 0.204 30.397 30.300 -0.178 0.000 1.105 48 R HN 0.170 nan 8.270 nan 0.000 0.515 49 D N 1.324 121.720 120.400 -0.007 0.000 2.494 49 D HA -0.022 4.618 4.640 0.000 0.000 0.217 49 D C 1.140 177.420 176.300 -0.033 0.000 1.153 49 D CA -0.161 53.817 54.000 -0.036 0.000 0.954 49 D CB 0.615 41.398 40.800 -0.029 0.000 1.034 49 D HN -0.005 nan 8.370 nan 0.000 0.518 50 I N 4.575 125.069 120.570 -0.128 0.000 2.113 50 I HA -0.350 3.820 4.170 0.000 0.000 0.242 50 I C 2.101 178.108 176.117 -0.183 0.000 1.057 50 I CA 2.104 63.234 61.300 -0.283 0.000 1.314 50 I CB -0.285 37.332 38.000 -0.639 0.000 1.022 50 I HN 0.431 nan 8.210 nan 0.000 0.408 51 A N -0.707 122.035 122.820 -0.129 0.000 1.908 51 A HA -0.316 4.004 4.320 0.000 0.000 0.218 51 A C 2.394 179.950 177.584 -0.046 0.000 1.181 51 A CA 2.107 54.103 52.037 -0.068 0.000 0.627 51 A CB -0.887 18.091 19.000 -0.037 0.000 0.818 51 A HN 0.697 nan 8.150 nan 0.000 0.445 52 Q N -0.302 119.476 119.800 -0.037 0.000 2.046 52 Q HA -0.117 4.223 4.340 0.000 0.000 0.200 52 Q C 2.073 178.067 176.000 -0.010 0.000 0.975 52 Q CA 1.874 57.666 55.803 -0.017 0.000 0.836 52 Q CB -0.234 28.498 28.738 -0.010 0.000 0.896 52 Q HN 0.444 nan 8.270 nan 0.000 0.428 53 V N 0.357 120.268 119.914 -0.005 0.000 2.219 53 V HA -0.322 3.798 4.120 0.000 0.000 0.248 53 V C 2.438 178.523 176.094 -0.015 0.000 1.053 53 V CA 1.899 64.208 62.300 0.014 0.000 1.009 53 V CB -0.923 30.935 31.823 0.058 0.000 0.636 53 V HN 0.254 nan 8.190 nan 0.000 0.445 54 V N 0.957 120.839 119.914 -0.053 0.000 2.231 54 V HA -0.357 3.763 4.120 0.000 0.000 0.250 54 V C 2.760 178.845 176.094 -0.014 0.000 1.058 54 V CA 3.021 65.296 62.300 -0.042 0.000 1.022 54 V CB -1.551 30.239 31.823 -0.056 0.000 0.640 54 V HN 0.858 nan 8.190 nan 0.000 0.445 55 T N -1.277 113.269 114.554 -0.013 0.000 2.674 55 T HA -0.253 4.097 4.350 0.000 0.000 0.265 55 T C 1.691 176.392 174.700 0.003 0.000 1.039 55 T CA 1.723 63.821 62.100 -0.002 0.000 1.150 55 T CB -0.587 68.280 68.868 -0.002 0.000 0.864 55 T HN 0.593 nan 8.240 nan 0.000 0.427 56 E N 1.524 121.725 120.200 0.002 0.000 2.097 56 E HA -0.164 4.186 4.350 0.000 0.000 0.196 56 E C 2.200 178.804 176.600 0.008 0.000 1.000 56 E CA 1.263 57.667 56.400 0.006 0.000 0.804 56 E CB -0.254 29.451 29.700 0.007 0.000 0.740 56 E HN 0.540 nan 8.360 nan 0.000 0.454 57 N N 0.565 119.270 118.700 0.008 0.000 2.463 57 N HA -0.050 4.690 4.740 0.000 0.000 0.181 57 N C -0.360 175.156 175.510 0.011 0.000 1.078 57 N CA 0.322 53.378 53.050 0.010 0.000 0.902 57 N CB 0.190 38.684 38.487 0.012 0.000 0.970 57 N HN 0.058 nan 8.380 nan 0.000 0.451 58 N N 0.879 119.586 118.700 0.012 0.000 2.791 58 N HA -0.114 4.626 4.740 0.000 0.000 0.250 58 N C -1.231 174.294 175.510 0.025 0.000 1.082 58 N CA 0.617 53.678 53.050 0.017 0.000 0.680 58 N CB -1.012 37.484 38.487 0.015 0.000 0.918 58 N HN 0.151 nan 8.380 nan 0.000 0.555 59 K N 0.692 121.109 120.400 0.027 0.000 2.183 59 K HA 0.329 4.649 4.320 0.000 0.000 0.274 59 K C 1.022 177.661 176.600 0.065 0.000 1.009 59 K CA -0.601 55.714 56.287 0.045 0.000 0.888 59 K CB 0.862 33.385 32.500 0.038 0.000 1.078 59 K HN 0.154 nan 8.250 nan 0.000 0.459 60 N N 0.948 119.707 118.700 0.098 0.000 2.354 60 N HA -0.099 4.641 4.740 0.000 0.000 0.179 60 N C -0.207 175.430 175.510 0.211 0.000 1.021 60 N CA 0.964 54.092 53.050 0.131 0.000 0.887 60 N CB 0.132 38.702 38.487 0.138 0.000 0.974 60 N HN 0.485 nan 8.380 nan 0.000 0.437 61 Y N -0.137 120.201 120.300 0.062 0.000 2.504 61 Y HA 0.425 4.975 4.550 0.000 0.000 0.344 61 Y C -1.228 174.736 175.900 0.108 0.000 1.023 61 Y CA -0.807 57.351 58.100 0.096 0.000 1.020 61 Y CB 1.703 40.233 38.460 0.117 0.000 1.282 61 Y HN -0.226 nan 8.280 nan 0.000 0.454 62 L N 6.353 127.536 121.223 -0.066 0.000 2.287 62 L HA 0.673 5.013 4.340 0.000 0.000 0.287 62 L C -1.520 175.458 176.870 0.181 0.000 1.022 62 L CA -0.890 53.976 54.840 0.044 0.000 0.814 62 L CB 1.230 43.270 42.059 -0.033 0.000 1.217 62 L HN 0.476 nan 8.230 nan 0.000 0.420 63 V N 6.447 126.528 119.914 0.278 0.000 2.376 63 V HA 0.421 4.541 4.120 0.000 0.000 0.287 63 V C 0.039 176.276 176.094 0.239 0.000 1.015 63 V CA -0.455 62.085 62.300 0.400 0.000 0.834 63 V CB 1.695 33.825 31.823 0.511 0.000 1.001 63 V HN 0.584 nan 8.190 nan 0.000 0.428 64 L N 5.964 127.312 121.223 0.208 0.000 2.331 64 L HA 0.739 5.079 4.340 0.000 0.000 0.275 64 L C -0.739 176.183 176.870 0.087 0.000 1.022 64 L CA -0.826 54.000 54.840 -0.022 0.000 0.812 64 L CB 1.662 43.648 42.059 -0.121 0.000 1.257 64 L HN 0.724 nan 8.230 nan 0.000 0.435 65 Y N 0.071 120.376 120.300 0.008 0.000 2.581 65 Y HA 0.831 5.381 4.550 0.000 0.000 0.345 65 Y C -0.685 175.167 175.900 -0.079 0.000 1.036 65 Y CA -1.547 56.565 58.100 0.020 0.000 1.042 65 Y CB 1.899 40.367 38.460 0.014 0.000 1.289 65 Y HN 0.470 nan 8.280 nan 0.000 0.471 66 A N 1.940 124.841 122.820 0.135 0.000 2.943 66 A HA 0.601 4.921 4.320 0.000 0.000 0.327 66 A C -0.710 176.948 177.584 0.122 0.000 1.141 66 A CA -0.406 51.665 52.037 0.057 0.000 0.773 66 A CB 0.318 19.297 19.000 -0.034 0.000 1.143 66 A HN 0.731 nan 8.150 nan 0.000 0.463 67 S N 0.112 115.916 115.700 0.173 0.000 2.722 67 S HA 0.573 5.043 4.470 0.000 0.000 0.292 67 S C 0.758 175.372 174.600 0.023 0.000 1.135 67 S CA -0.045 58.221 58.200 0.110 0.000 1.003 67 S CB 1.834 65.078 63.200 0.073 0.000 1.067 67 S HN 0.748 nan 8.310 nan 0.000 0.546 68 Q N 0.042 119.825 119.800 -0.029 0.000 2.589 68 Q HA 0.313 4.653 4.340 0.000 0.000 0.216 68 Q C 1.090 177.038 176.000 -0.087 0.000 0.774 68 Q CA 0.560 56.234 55.803 -0.215 0.000 0.909 68 Q CB 0.096 28.377 28.738 -0.763 0.000 1.283 68 Q HN 0.672 nan 8.270 nan 0.000 0.597 69 T N -0.569 113.992 114.554 0.011 0.000 3.069 69 T HA 0.363 4.713 4.350 0.000 0.000 0.252 69 T C 0.821 175.536 174.700 0.025 0.000 1.053 69 T CA 0.482 62.614 62.100 0.053 0.000 0.964 69 T CB 0.589 69.512 68.868 0.092 0.000 1.005 69 T HN 0.587 nan 8.240 nan 0.000 0.532 70 G N 1.387 110.191 108.800 0.005 0.000 2.217 70 G HA2 -0.341 3.619 3.960 0.000 0.000 0.246 70 G HA3 -0.341 3.619 3.960 0.000 0.000 0.246 70 G C 1.104 175.964 174.900 -0.065 0.000 0.990 70 G CA 0.630 45.697 45.100 -0.054 0.000 0.627 70 G HN 0.471 nan 8.290 nan 0.000 0.522 71 T N 1.443 116.005 114.554 0.014 0.000 2.580 71 T HA 0.051 4.401 4.350 0.000 0.000 0.265 71 T C 2.820 177.582 174.700 0.103 0.000 1.063 71 T CA 3.118 65.259 62.100 0.068 0.000 1.170 71 T CB -0.788 68.167 68.868 0.146 0.000 0.863 71 T HN 1.405 nan 8.240 nan 0.000 0.418 72 A N 1.590 124.482 122.820 0.120 0.000 1.852 72 A HA -0.302 4.018 4.320 0.000 0.000 0.217 72 A C 2.204 179.746 177.584 -0.071 0.000 1.215 72 A CA 2.638 54.768 52.037 0.154 0.000 0.641 72 A CB -1.240 17.858 19.000 0.163 0.000 0.838 72 A HN 0.711 nan 8.150 nan 0.000 0.450 73 E N -0.410 119.625 120.200 -0.275 0.000 2.095 73 E HA -0.383 3.967 4.350 0.000 0.000 0.212 73 E C 1.743 177.995 176.600 -0.580 0.000 1.044 73 E CA 2.205 58.132 56.400 -0.788 0.000 0.857 73 E CB -0.432 28.743 29.700 -0.875 0.000 0.764 73 E HN 0.615 nan 8.360 nan 0.000 0.462 74 D N -1.258 118.901 120.400 -0.401 0.000 2.133 74 D HA -0.203 4.437 4.640 0.000 0.000 0.195 74 D C 1.818 177.827 176.300 -0.485 0.000 0.997 74 D CA 1.554 55.311 54.000 -0.405 0.000 0.840 74 D CB -0.290 40.267 40.800 -0.404 0.000 0.947 74 D HN 0.406 nan 8.370 nan 0.000 0.452 75 Y N 0.058 120.155 120.300 -0.340 0.000 2.242 75 Y HA -0.044 4.506 4.550 0.000 0.000 0.291 75 Y C 2.451 177.978 175.900 -0.623 0.000 1.137 75 Y CA 0.974 58.796 58.100 -0.464 0.000 1.181 75 Y CB -0.222 38.065 38.460 -0.288 0.000 0.989 75 Y HN 0.045 nan 8.280 nan 0.000 0.527 76 A N -0.079 122.260 122.820 -0.802 0.000 2.019 76 A HA -0.153 4.167 4.320 0.000 0.000 0.219 76 A C 2.118 179.525 177.584 -0.295 0.000 1.164 76 A CA 1.352 52.730 52.037 -1.099 0.000 0.644 76 A CB -0.248 18.329 19.000 -0.705 0.000 0.805 76 A HN 0.161 nan 8.150 nan 0.000 0.449 77 K N 0.260 120.513 120.400 -0.245 0.000 2.116 77 K HA -0.003 4.317 4.320 0.000 0.000 0.203 77 K C 1.801 178.397 176.600 -0.006 0.000 1.052 77 K CA 1.245 57.478 56.287 -0.089 0.000 0.952 77 K CB -0.317 32.100 32.500 -0.138 0.000 0.729 77 K HN 0.545 nan 8.250 nan 0.000 0.446 78 K N 0.080 120.453 120.400 -0.046 0.000 2.026 78 K HA -0.125 4.195 4.320 0.000 0.000 0.208 78 K C 2.108 178.870 176.600 0.270 0.000 1.048 78 K CA 1.236 57.564 56.287 0.069 0.000 0.929 78 K CB -0.334 32.156 32.500 -0.017 0.000 0.713 78 K HN -0.034 nan 8.250 nan 0.000 0.439 79 F N 2.266 122.354 119.950 0.230 0.000 2.025 79 F HA -0.297 4.230 4.527 0.000 0.000 0.297 79 F C 2.368 178.301 175.800 0.222 0.000 1.132 79 F CA 1.772 59.993 58.000 0.369 0.000 1.191 79 F CB -0.656 38.689 39.000 0.575 0.000 0.963 79 F HN -0.081 nan 8.300 nan 0.000 0.481 80 S N 0.484 116.353 115.700 0.281 0.000 2.372 80 S HA -0.266 4.204 4.470 0.000 0.000 0.227 80 S C 1.995 176.626 174.600 0.051 0.000 1.044 80 S CA 1.671 59.953 58.200 0.137 0.000 1.050 80 S CB -0.433 62.877 63.200 0.183 0.000 0.901 80 S HN 0.324 nan 8.310 nan 0.000 0.447 81 K N 0.932 121.386 120.400 0.090 0.000 2.057 81 K HA -0.100 4.220 4.320 0.000 0.000 0.207 81 K C 2.253 178.901 176.600 0.080 0.000 1.049 81 K CA 1.353 57.706 56.287 0.110 0.000 0.931 81 K CB -0.417 32.180 32.500 0.162 0.000 0.714 81 K HN 0.571 nan 8.250 nan 0.000 0.440 82 E N 0.836 121.068 120.200 0.053 0.000 2.106 82 E HA -0.161 4.189 4.350 0.000 0.000 0.192 82 E C 1.951 178.485 176.600 -0.109 0.000 0.984 82 E CA 0.536 56.935 56.400 -0.002 0.000 0.806 82 E CB -0.012 29.703 29.700 0.025 0.000 0.750 82 E HN -0.009 nan 8.360 nan 0.000 0.458 83 L N 0.167 121.282 121.223 -0.180 0.000 2.131 83 L HA -0.130 4.210 4.340 0.000 0.000 0.210 83 L C 2.161 179.006 176.870 -0.042 0.000 1.092 83 L CA 1.188 55.928 54.840 -0.166 0.000 0.759 83 L CB -0.254 41.592 42.059 -0.354 0.000 0.903 83 L HN 0.138 nan 8.230 nan 0.000 0.435 84 V N -1.204 118.685 119.914 -0.042 0.000 2.535 84 V HA -0.076 4.044 4.120 0.000 0.000 0.246 84 V C 2.527 178.592 176.094 -0.049 0.000 1.045 84 V CA 1.166 63.453 62.300 -0.021 0.000 1.058 84 V CB -0.828 30.989 31.823 -0.010 0.000 0.689 84 V HN 0.474 nan 8.190 nan 0.000 0.461 85 A N -0.342 122.446 122.820 -0.053 0.000 2.014 85 A HA -0.097 4.223 4.320 0.000 0.000 0.218 85 A C 2.251 179.720 177.584 -0.191 0.000 1.163 85 A CA 1.352 53.350 52.037 -0.065 0.000 0.652 85 A CB -0.174 18.838 19.000 0.020 0.000 0.808 85 A HN 0.525 nan 8.150 nan 0.000 0.449 86 K N -2.035 118.142 120.400 -0.372 0.000 2.276 86 K HA 0.213 4.533 4.320 0.000 0.000 0.198 86 K C 0.283 176.313 176.600 -0.950 0.000 1.052 86 K CA 0.770 56.600 56.287 -0.761 0.000 0.984 86 K CB 0.172 31.971 32.500 -1.169 0.000 0.836 86 K HN 0.531 nan 8.250 nan 0.000 0.490 87 F N 0.546 120.453 119.950 -0.071 0.000 2.746 87 F HA 0.250 4.777 4.527 0.000 0.000 0.320 87 F C -0.097 175.676 175.800 -0.046 0.000 1.097 87 F CA -0.670 57.294 58.000 -0.061 0.000 1.195 87 F CB 0.334 39.286 39.000 -0.081 0.000 1.056 87 F HN -0.109 nan 8.300 nan 0.000 0.562 88 N N 1.568 120.295 118.700 0.046 0.000 2.708 88 N HA -0.194 4.546 4.740 0.000 0.000 0.249 88 N C -0.370 175.173 175.510 0.054 0.000 1.097 88 N CA 0.536 53.603 53.050 0.028 0.000 0.710 88 N CB -1.579 36.919 38.487 0.020 0.000 1.032 88 N HN 0.351 nan 8.380 nan 0.000 0.551 89 L N 0.562 121.831 121.223 0.076 0.000 2.417 89 L HA 0.165 4.505 4.340 0.000 0.000 0.268 89 L C 1.308 178.213 176.870 0.057 0.000 1.158 89 L CA -0.163 54.721 54.840 0.074 0.000 0.819 89 L CB 0.496 42.595 42.059 0.066 0.000 1.112 89 L HN 0.078 nan 8.230 nan 0.000 0.458 90 N N 2.411 121.151 118.700 0.067 0.000 2.719 90 N HA 0.169 4.909 4.740 0.000 0.000 0.243 90 N C -0.697 174.867 175.510 0.090 0.000 1.104 90 N CA -0.241 52.841 53.050 0.054 0.000 0.981 90 N CB 0.571 39.082 38.487 0.041 0.000 1.290 90 N HN 0.230 nan 8.380 nan 0.000 0.513 91 V N 2.891 122.865 119.914 0.100 0.000 3.083 91 V HA 0.347 4.467 4.120 0.000 0.000 0.306 91 V C 0.663 176.829 176.094 0.120 0.000 1.077 91 V CA -0.464 61.933 62.300 0.161 0.000 1.073 91 V CB 1.495 33.420 31.823 0.170 0.000 1.081 91 V HN 0.562 nan 8.190 nan 0.000 0.474 92 M N 2.321 122.007 119.600 0.143 0.000 2.106 92 M HA 0.433 4.913 4.480 0.000 0.000 0.288 92 M C -1.480 174.886 176.300 0.110 0.000 0.941 92 M CA -0.213 55.137 55.300 0.083 0.000 0.934 92 M CB 1.115 33.728 32.600 0.022 0.000 1.551 92 M HN 0.725 nan 8.290 nan 0.000 0.437 93 C N 4.218 123.590 119.300 0.121 0.000 2.369 93 C HA 0.902 5.363 4.460 0.000 0.000 0.358 93 C C 0.189 175.246 174.990 0.111 0.000 1.274 93 C CA -0.316 58.813 59.018 0.185 0.000 1.935 93 C CB 0.154 28.040 27.740 0.243 0.000 2.431 93 C HN 0.841 nan 8.230 nan 0.000 0.545 94 A N 3.068 125.865 122.820 -0.038 0.000 2.437 94 A HA 0.514 4.834 4.320 0.000 0.000 0.293 94 A C -0.872 176.328 177.584 -0.640 0.000 1.038 94 A CA -0.353 51.590 52.037 -0.156 0.000 0.708 94 A CB 0.731 19.561 19.000 -0.283 0.000 1.251 94 A HN 0.834 nan 8.150 nan 0.000 0.409 95 D N 2.858 122.969 120.400 -0.482 0.000 2.371 95 D HA 0.116 4.756 4.640 0.000 0.000 0.256 95 D C 1.251 177.430 176.300 -0.202 0.000 1.193 95 D CA 0.043 53.651 54.000 -0.654 0.000 0.881 95 D CB 1.449 42.269 40.800 0.033 0.000 1.143 95 D HN 0.198 nan 8.370 nan 0.000 0.473 96 V N 4.483 124.213 119.914 -0.308 0.000 2.527 96 V HA -0.247 3.874 4.120 0.000 0.000 0.255 96 V C 2.339 178.522 176.094 0.148 0.000 1.081 96 V CA 1.985 64.197 62.300 -0.146 0.000 1.092 96 V CB -0.481 30.925 31.823 -0.694 0.000 0.673 96 V HN 0.684 nan 8.190 nan 0.000 0.470 97 E N 0.081 120.328 120.200 0.078 0.000 2.204 97 E HA -0.180 4.170 4.350 0.000 0.000 0.194 97 E C 1.416 178.073 176.600 0.096 0.000 0.989 97 E CA 0.906 57.373 56.400 0.111 0.000 0.824 97 E CB -0.010 29.735 29.700 0.076 0.000 0.756 97 E HN 0.633 nan 8.360 nan 0.000 0.477 98 N N -0.237 118.502 118.700 0.065 0.000 2.370 98 N HA 0.013 4.753 4.740 0.000 0.000 0.198 98 N C -0.938 174.280 175.510 -0.486 0.000 1.156 98 N CA 0.507 53.458 53.050 -0.166 0.000 0.839 98 N CB 0.284 38.626 38.487 -0.242 0.000 0.989 98 N HN 0.140 nan 8.380 nan 0.000 0.468 99 Y N -0.428 119.867 120.300 -0.007 0.000 2.638 99 Y HA 0.329 4.879 4.550 0.000 0.000 0.339 99 Y C -0.388 175.400 175.900 -0.186 0.000 1.084 99 Y CA -1.213 56.767 58.100 -0.201 0.000 1.068 99 Y CB 1.388 39.522 38.460 -0.542 0.000 1.294 99 Y HN -0.179 nan 8.280 nan 0.000 0.480 100 D N 1.339 121.640 120.400 -0.165 0.000 2.381 100 D HA 0.237 4.877 4.640 0.000 0.000 0.235 100 D C -0.606 175.471 176.300 -0.372 0.000 1.068 100 D CA -0.135 53.791 54.000 -0.124 0.000 0.832 100 D CB 0.965 41.717 40.800 -0.080 0.000 1.101 100 D HN 0.389 nan 8.370 nan 0.000 0.515 101 F N 1.066 120.856 119.950 -0.266 0.000 2.663 101 F HA 0.063 4.590 4.527 0.000 0.000 0.299 101 F C 2.073 177.308 175.800 -0.942 0.000 1.143 101 F CA -0.165 57.489 58.000 -0.577 0.000 1.387 101 F CB 0.308 38.914 39.000 -0.658 0.000 1.019 101 F HN 0.173 nan 8.300 nan 0.000 0.523 102 E N 0.138 120.122 120.200 -0.361 0.000 2.153 102 E HA -0.146 4.204 4.350 0.000 0.000 0.194 102 E C 2.054 178.667 176.600 0.021 0.000 0.988 102 E CA 1.376 57.746 56.400 -0.050 0.000 0.811 102 E CB -0.270 29.457 29.700 0.045 0.000 0.746 102 E HN 0.353 nan 8.360 nan 0.000 0.466 103 S N 0.243 115.908 115.700 -0.059 0.000 2.660 103 S HA 0.056 4.526 4.470 0.000 0.000 0.227 103 S C 1.651 176.254 174.600 0.005 0.000 0.948 103 S CA -0.229 57.965 58.200 -0.011 0.000 0.948 103 S CB -0.032 63.146 63.200 -0.037 0.000 0.779 103 S HN 0.086 nan 8.310 nan 0.000 0.487 104 L N 2.705 123.941 121.223 0.021 0.000 2.013 104 L HA -0.051 4.289 4.340 0.000 0.000 0.212 104 L C 1.882 178.832 176.870 0.133 0.000 1.073 104 L CA 2.044 56.952 54.840 0.114 0.000 0.753 104 L CB -1.139 41.056 42.059 0.226 0.000 0.890 104 L HN 0.419 nan 8.230 nan 0.000 0.432 105 N N -0.784 118.011 118.700 0.159 0.000 2.635 105 N HA -0.146 4.594 4.740 0.000 0.000 0.191 105 N C 0.672 176.230 175.510 0.080 0.000 1.155 105 N CA 0.933 54.058 53.050 0.125 0.000 0.927 105 N CB -0.132 38.431 38.487 0.126 0.000 0.976 105 N HN 0.458 nan 8.380 nan 0.000 0.448 106 D N -1.181 119.256 120.400 0.062 0.000 2.398 106 D HA 0.097 4.737 4.640 0.000 0.000 0.210 106 D C -0.373 175.943 176.300 0.026 0.000 1.094 106 D CA 0.021 54.044 54.000 0.038 0.000 0.839 106 D CB 0.432 41.248 40.800 0.026 0.000 0.963 106 D HN -0.056 nan 8.370 nan 0.000 0.506 107 V N 3.944 123.877 119.914 0.030 0.000 2.450 107 V HA 0.040 4.160 4.120 0.000 0.000 0.281 107 V C -1.173 174.932 176.094 0.019 0.000 1.019 107 V CA -0.369 61.941 62.300 0.016 0.000 1.062 107 V CB 1.041 32.877 31.823 0.021 0.000 0.979 107 V HN 0.100 nan 8.190 nan 0.000 0.477 108 P HA 0.129 nan 4.420 nan 0.000 0.255 108 P C -0.040 177.267 177.300 0.010 0.000 1.301 108 P CA 0.331 63.440 63.100 0.015 0.000 0.817 108 P CB 0.562 32.271 31.700 0.015 0.000 1.259 109 V N 0.423 120.333 119.914 -0.006 0.000 3.113 109 V HA 0.347 4.468 4.120 0.000 0.000 0.316 109 V C 0.642 176.681 176.094 -0.090 0.000 1.125 109 V CA -1.297 60.981 62.300 -0.037 0.000 1.026 109 V CB 2.528 34.323 31.823 -0.047 0.000 1.080 109 V HN -0.135 nan 8.190 nan 0.000 0.444 110 I N 1.867 122.327 120.570 -0.183 0.000 2.474 110 I HA 0.339 4.509 4.170 0.000 0.000 0.287 110 I C -0.665 175.104 176.117 -0.580 0.000 1.048 110 I CA -0.240 60.909 61.300 -0.251 0.000 1.383 110 I CB 1.495 39.425 38.000 -0.117 0.000 1.412 110 I HN 0.210 nan 8.210 nan 0.000 0.531 111 V N 4.874 124.647 119.914 -0.236 0.000 2.495 111 V HA 0.336 4.456 4.120 0.000 0.000 0.298 111 V C -0.115 176.058 176.094 0.131 0.000 1.031 111 V CA -0.545 61.687 62.300 -0.114 0.000 0.871 111 V CB 1.764 33.620 31.823 0.055 0.000 0.988 111 V HN 0.722 nan 8.190 nan 0.000 0.432 112 S N 5.151 121.019 115.700 0.279 0.000 2.451 112 S HA 0.714 5.184 4.470 0.000 0.000 0.301 112 S C -0.430 174.367 174.600 0.328 0.000 1.116 112 S CA -0.380 58.056 58.200 0.394 0.000 1.093 112 S CB 0.930 64.495 63.200 0.609 0.000 1.017 112 S HN 0.535 nan 8.310 nan 0.000 0.482 113 I N 3.223 123.897 120.570 0.174 0.000 2.406 113 I HA 0.424 4.594 4.170 0.000 0.000 0.290 113 I C -1.309 174.790 176.117 -0.030 0.000 0.999 113 I CA -0.552 60.826 61.300 0.130 0.000 1.124 113 I CB 1.225 39.261 38.000 0.061 0.000 1.289 113 I HN 0.455 nan 8.210 nan 0.000 0.441 114 F N 6.777 126.751 119.950 0.040 0.000 2.388 114 F HA 0.580 5.107 4.527 0.000 0.000 0.358 114 F C 0.137 175.909 175.800 -0.047 0.000 1.122 114 F CA -0.487 57.526 58.000 0.023 0.000 1.056 114 F CB 1.049 40.133 39.000 0.140 0.000 1.155 114 F HN 0.143 nan 8.300 nan 0.000 0.461 115 I N 1.920 122.466 120.570 -0.040 0.000 2.689 115 I HA 0.493 4.663 4.170 0.000 0.000 0.299 115 I C -0.491 175.532 176.117 -0.156 0.000 1.059 115 I CA -0.687 60.531 61.300 -0.137 0.000 1.055 115 I CB 2.330 40.130 38.000 -0.333 0.000 1.243 115 I HN 0.381 nan 8.210 nan 0.000 0.425 116 S N 2.128 117.780 115.700 -0.081 0.000 2.578 116 S HA 0.582 5.052 4.470 0.000 0.000 0.301 116 S C -0.355 174.214 174.600 -0.052 0.000 1.091 116 S CA -0.658 57.516 58.200 -0.044 0.000 1.032 116 S CB 2.016 65.313 63.200 0.160 0.000 1.064 116 S HN 0.574 nan 8.310 nan 0.000 0.508 117 T N 2.352 116.799 114.554 -0.178 0.000 2.824 117 T HA 0.635 4.985 4.350 0.000 0.000 0.280 117 T C -1.228 173.250 174.700 -0.370 0.000 0.995 117 T CA -0.151 61.841 62.100 -0.179 0.000 1.009 117 T CB 0.363 69.099 68.868 -0.221 0.000 0.955 117 T HN 0.500 nan 8.240 nan 0.000 0.452 118 Y N -0.141 120.079 120.300 -0.134 0.000 2.705 118 Y HA 0.555 5.105 4.550 0.000 0.000 0.332 118 Y C 1.374 177.193 175.900 -0.135 0.000 1.157 118 Y CA -0.050 57.953 58.100 -0.161 0.000 1.091 118 Y CB 1.279 39.677 38.460 -0.102 0.000 1.301 118 Y HN 0.858 nan 8.280 nan 0.000 0.488 119 G N 1.355 110.189 108.800 0.057 0.000 2.699 119 G HA2 -0.358 3.603 3.960 0.000 0.000 0.347 119 G HA3 -0.358 3.603 3.960 0.000 0.000 0.347 119 G C -0.478 174.382 174.900 -0.066 0.000 1.225 119 G CA 1.116 46.230 45.100 0.023 0.000 0.973 119 G HN 0.587 nan 8.290 nan 0.000 0.551 120 E N 0.930 121.045 120.200 -0.142 0.000 2.489 120 E HA 0.513 4.863 4.350 0.000 0.000 0.232 120 E C 0.539 176.795 176.600 -0.574 0.000 0.990 120 E CA 0.377 56.551 56.400 -0.375 0.000 0.768 120 E CB 0.680 30.115 29.700 -0.441 0.000 1.270 120 E HN 1.849 nan 8.360 nan 0.000 0.423 121 G N 2.811 111.399 108.800 -0.355 0.000 2.258 121 G HA2 -0.298 3.663 3.960 0.000 0.000 0.274 121 G HA3 -0.298 3.663 3.960 0.000 0.000 0.274 121 G C -0.342 174.545 174.900 -0.021 0.000 1.021 121 G CA 0.828 45.841 45.100 -0.145 0.000 0.798 121 G HN 0.558 nan 8.290 nan 0.000 0.507 122 D N -0.872 119.545 120.400 0.029 0.000 2.423 122 D HA 0.671 5.311 4.640 0.000 0.000 0.235 122 D C 0.379 176.915 176.300 0.392 0.000 1.011 122 D CA -1.488 52.644 54.000 0.219 0.000 0.963 122 D CB 0.542 41.382 40.800 0.068 0.000 1.349 122 D HN 0.110 nan 8.370 nan 0.000 0.508 123 F N -0.682 119.288 119.950 0.034 0.000 2.450 123 F HA 0.296 4.823 4.527 0.000 0.000 0.339 123 F C -1.516 174.316 175.800 0.052 0.000 1.146 123 F CA -2.017 56.022 58.000 0.065 0.000 1.267 123 F CB 0.171 39.219 39.000 0.081 0.000 1.178 123 F HN -0.045 nan 8.300 nan 0.000 0.585 124 P HA -0.110 nan 4.420 nan 0.000 0.269 124 P C 0.223 177.511 177.300 -0.020 0.000 1.205 124 P CA 0.242 63.311 63.100 -0.052 0.000 0.780 124 P CB 0.540 32.199 31.700 -0.068 0.000 0.858 125 D N 2.152 122.478 120.400 -0.125 0.000 2.435 125 D HA -0.178 4.462 4.640 0.000 0.000 0.206 125 D C 2.042 178.351 176.300 0.015 0.000 1.055 125 D CA 2.315 56.289 54.000 -0.044 0.000 0.908 125 D CB -0.991 39.772 40.800 -0.062 0.000 1.151 125 D HN 0.575 nan 8.370 nan 0.000 0.479 126 G N -0.207 108.604 108.800 0.019 0.000 2.708 126 G HA2 0.051 4.011 3.960 0.000 0.000 0.210 126 G HA3 0.051 4.011 3.960 0.000 0.000 0.210 126 G C 1.195 176.144 174.900 0.081 0.000 1.141 126 G CA 0.820 45.950 45.100 0.049 0.000 0.788 126 G HN 0.382 nan 8.290 nan 0.000 0.531 127 A N -0.304 122.578 122.820 0.103 0.000 2.238 127 A HA 0.375 4.695 4.320 0.000 0.000 0.210 127 A C 2.231 179.942 177.584 0.212 0.000 1.179 127 A CA 0.458 52.598 52.037 0.171 0.000 0.827 127 A CB 0.103 19.228 19.000 0.208 0.000 0.856 127 A HN 0.168 nan 8.150 nan 0.000 0.488 128 V N 1.443 121.426 119.914 0.116 0.000 2.546 128 V HA -0.310 3.810 4.120 0.000 0.000 0.254 128 V C 2.125 178.247 176.094 0.047 0.000 1.076 128 V CA 2.065 64.382 62.300 0.029 0.000 1.087 128 V CB -0.938 30.886 31.823 0.003 0.000 0.674 128 V HN 0.610 nan 8.190 nan 0.000 0.470 129 N N -0.376 118.394 118.700 0.117 0.000 2.166 129 N HA -0.161 4.579 4.740 0.000 0.000 0.186 129 N C 1.734 177.367 175.510 0.204 0.000 1.019 129 N CA 1.569 54.704 53.050 0.142 0.000 0.856 129 N CB -0.333 38.253 38.487 0.165 0.000 0.993 129 N HN 0.550 nan 8.380 nan 0.000 0.426 130 F N 2.242 122.232 119.950 0.066 0.000 2.074 130 F HA -0.086 4.441 4.527 0.000 0.000 0.293 130 F C 2.573 178.403 175.800 0.051 0.000 1.116 130 F CA 1.330 59.349 58.000 0.032 0.000 1.212 130 F CB -0.486 38.483 39.000 -0.052 0.000 0.998 130 F HN 0.018 nan 8.300 nan 0.000 0.471 131 E N -0.095 120.131 120.200 0.044 0.000 2.147 131 E HA -0.301 4.049 4.350 0.000 0.000 0.199 131 E C 1.929 178.313 176.600 -0.361 0.000 1.005 131 E CA 1.971 58.053 56.400 -0.531 0.000 0.810 131 E CB -0.380 28.640 29.700 -1.134 0.000 0.736 131 E HN 0.473 nan 8.360 nan 0.000 0.460 132 D N -0.543 119.748 120.400 -0.183 0.000 2.077 132 D HA -0.153 4.487 4.640 0.000 0.000 0.196 132 D C 1.762 178.002 176.300 -0.101 0.000 0.986 132 D CA 1.097 55.022 54.000 -0.125 0.000 0.829 132 D CB -0.361 40.416 40.800 -0.040 0.000 0.983 132 D HN 0.223 nan 8.370 nan 0.000 0.453 133 F N 1.834 121.681 119.950 -0.173 0.000 2.115 133 F HA -0.237 4.290 4.527 0.000 0.000 0.300 133 F C 2.189 177.859 175.800 -0.218 0.000 1.092 133 F CA 1.375 59.278 58.000 -0.162 0.000 1.245 133 F CB -0.297 38.617 39.000 -0.143 0.000 0.995 133 F HN -0.065 nan 8.300 nan 0.000 0.481 134 I N -1.065 119.325 120.570 -0.300 0.000 2.193 134 I HA -0.259 3.911 4.170 0.000 0.000 0.240 134 I C 2.404 178.356 176.117 -0.276 0.000 1.084 134 I CA 1.133 62.239 61.300 -0.323 0.000 1.365 134 I CB -0.720 37.151 38.000 -0.215 0.000 1.064 134 I HN 0.224 nan 8.210 nan 0.000 0.410 135 C N 2.037 121.185 119.300 -0.253 0.000 2.526 135 C HA 0.052 4.512 4.460 0.000 0.000 0.286 135 C C 1.701 176.461 174.990 -0.383 0.000 1.416 135 C CA 0.808 59.571 59.018 -0.425 0.000 1.671 135 C CB -2.109 25.439 27.740 -0.320 0.000 1.650 135 C HN 0.469 nan 8.230 nan 0.000 0.590 136 N N -0.211 118.286 118.700 -0.338 0.000 2.104 136 N HA 0.194 4.934 4.740 0.000 0.000 0.227 136 N C 0.301 175.619 175.510 -0.321 0.000 1.321 136 N CA 0.313 53.194 53.050 -0.283 0.000 0.877 136 N CB 0.061 38.418 38.487 -0.217 0.000 1.117 136 N HN 0.395 nan 8.380 nan 0.000 0.486 137 A N 2.406 124.957 122.820 -0.449 0.000 2.537 137 A HA 0.090 4.410 4.320 0.000 0.000 0.260 137 A C 0.630 178.054 177.584 -0.266 0.000 1.082 137 A CA -0.022 51.730 52.037 -0.476 0.000 0.765 137 A CB -0.489 18.145 19.000 -0.610 0.000 1.019 137 A HN 0.332 nan 8.150 nan 0.000 0.507 138 E N 2.734 122.816 120.200 -0.197 0.000 2.383 138 E HA 0.474 4.824 4.350 0.000 0.000 0.264 138 E C 0.353 176.900 176.600 -0.088 0.000 1.050 138 E CA -0.283 56.043 56.400 -0.124 0.000 0.896 138 E CB 0.718 30.364 29.700 -0.091 0.000 0.982 138 E HN 0.821 nan 8.360 nan 0.000 0.424 139 A N 2.655 125.438 122.820 -0.062 0.000 2.600 139 A HA 0.266 4.586 4.320 0.000 0.000 0.244 139 A C 1.408 178.978 177.584 -0.024 0.000 1.016 139 A CA 0.770 52.787 52.037 -0.035 0.000 0.778 139 A CB -1.149 17.837 19.000 -0.023 0.000 0.920 139 A HN 1.399 nan 8.150 nan 0.000 0.513 140 G N 0.852 109.646 108.800 -0.010 0.000 2.159 140 G HA2 -0.011 3.949 3.960 0.000 0.000 0.256 140 G HA3 -0.011 3.949 3.960 0.000 0.000 0.256 140 G C 1.089 175.991 174.900 0.002 0.000 0.977 140 G CA 1.211 46.312 45.100 0.002 0.000 0.652 140 G HN 2.028 nan 8.290 nan 0.000 0.531 141 A N -0.256 122.554 122.820 -0.017 0.000 1.855 141 A HA 0.408 4.728 4.320 0.000 0.000 0.215 141 A C 1.858 179.460 177.584 0.029 0.000 1.191 141 A CA 1.519 53.547 52.037 -0.016 0.000 0.613 141 A CB -0.173 18.776 19.000 -0.086 0.000 0.829 141 A HN 0.874 nan 8.150 nan 0.000 0.442 142 L N 0.996 122.237 121.223 0.031 0.000 3.001 142 L HA 0.115 4.455 4.340 0.000 0.000 0.234 142 L C 1.417 178.337 176.870 0.082 0.000 1.321 142 L CA -0.283 54.605 54.840 0.080 0.000 1.138 142 L CB -0.031 42.080 42.059 0.087 0.000 1.503 142 L HN 0.277 nan 8.230 nan 0.000 0.487 143 S N 0.140 115.878 115.700 0.062 0.000 2.359 143 S HA -0.241 4.229 4.470 0.000 0.000 0.223 143 S C 1.604 176.245 174.600 0.067 0.000 1.039 143 S CA 1.931 60.165 58.200 0.058 0.000 1.042 143 S CB -0.345 62.880 63.200 0.042 0.000 0.915 143 S HN 0.651 nan 8.310 nan 0.000 0.439 144 N N 0.860 119.601 118.700 0.068 0.000 2.289 144 N HA 0.042 4.782 4.740 0.000 0.000 0.184 144 N C 0.362 175.922 175.510 0.084 0.000 1.016 144 N CA 0.018 53.108 53.050 0.067 0.000 0.872 144 N CB -0.243 38.280 38.487 0.060 0.000 0.973 144 N HN 0.313 nan 8.380 nan 0.000 0.433 145 L N 2.094 123.386 121.223 0.115 0.000 2.601 145 L HA -0.006 4.334 4.340 0.000 0.000 0.277 145 L C 0.022 176.999 176.870 0.179 0.000 1.219 145 L CA 0.540 55.474 54.840 0.157 0.000 0.915 145 L CB 0.282 42.459 42.059 0.196 0.000 1.160 145 L HN 0.125 nan 8.230 nan 0.000 0.494 146 R N 4.759 125.352 120.500 0.155 0.000 2.439 146 R HA 0.469 4.809 4.340 0.000 0.000 0.310 146 R C -1.422 174.978 176.300 0.167 0.000 0.955 146 R CA -0.492 55.668 56.100 0.100 0.000 0.853 146 R CB 1.778 32.101 30.300 0.039 0.000 1.171 146 R HN 0.539 nan 8.270 nan 0.000 0.449 147 Y N 0.291 120.619 120.300 0.047 0.000 2.689 147 Y HA 0.577 5.127 4.550 0.000 0.000 0.333 147 Y C -1.706 174.249 175.900 0.091 0.000 1.190 147 Y CA -1.352 56.788 58.100 0.067 0.000 1.063 147 Y CB 1.698 40.204 38.460 0.076 0.000 1.294 147 Y HN 0.529 nan 8.280 nan 0.000 0.466 148 N N 1.821 120.701 118.700 0.301 0.000 2.371 148 N HA 0.473 5.213 4.740 0.000 0.000 0.280 148 N C -1.653 174.098 175.510 0.401 0.000 1.084 148 N CA -0.708 52.495 53.050 0.256 0.000 0.892 148 N CB 2.587 41.181 38.487 0.179 0.000 1.653 148 N HN 1.014 nan 8.380 nan 0.000 0.480 149 M N -0.618 119.192 119.600 0.350 0.000 2.591 149 M HA 0.651 5.132 4.480 0.000 0.000 0.306 149 M C -1.751 174.364 176.300 -0.308 0.000 1.190 149 M CA -0.971 54.350 55.300 0.034 0.000 0.889 149 M CB 2.855 35.458 32.600 0.006 0.000 1.728 149 M HN 0.439 nan 8.290 nan 0.000 0.458 150 F N 1.291 120.634 119.950 -1.012 0.000 2.445 150 F HA 0.764 5.291 4.527 0.000 0.000 0.348 150 F C -0.166 175.216 175.800 -0.696 0.000 1.125 150 F CA -0.427 56.772 58.000 -1.334 0.000 0.983 150 F CB 1.385 39.166 39.000 -2.031 0.000 1.198 150 F HN 0.846 nan 8.300 nan 0.000 0.436 151 G N 6.136 114.386 108.800 -0.916 0.000 2.377 151 G HA2 0.556 4.516 3.960 0.000 0.000 0.299 151 G HA3 0.556 4.516 3.960 0.000 0.000 0.299 151 G C -1.641 172.741 174.900 -0.864 0.000 1.150 151 G CA -0.567 44.103 45.100 -0.717 0.000 0.847 151 G HN 0.515 nan 8.290 nan 0.000 0.501 152 L N 1.633 122.529 121.223 -0.546 0.000 2.313 152 L HA 0.823 5.163 4.340 0.000 0.000 0.283 152 L C 0.724 177.425 176.870 -0.281 0.000 1.013 152 L CA 0.144 54.744 54.840 -0.400 0.000 0.816 152 L CB 1.831 43.771 42.059 -0.199 0.000 1.236 152 L HN 0.832 nan 8.230 nan 0.000 0.419 153 G N 1.918 110.621 108.800 -0.162 0.000 2.634 153 G HA2 0.376 4.336 3.960 0.000 0.000 0.309 153 G HA3 0.376 4.336 3.960 0.000 0.000 0.309 153 G C -1.866 173.173 174.900 0.232 0.000 1.299 153 G CA -0.631 44.452 45.100 -0.028 0.000 0.798 153 G HN 0.523 nan 8.290 nan 0.000 0.490 154 N N -0.860 118.061 118.700 0.367 0.000 2.549 154 N HA 0.266 5.006 4.740 0.000 0.000 0.290 154 N C 1.253 176.836 175.510 0.121 0.000 1.122 154 N CA 0.202 53.395 53.050 0.237 0.000 0.885 154 N CB 1.628 40.290 38.487 0.293 0.000 1.455 154 N HN 0.497 nan 8.380 nan 0.000 0.521 155 S N 1.492 116.857 115.700 -0.558 0.000 2.440 155 S HA -0.187 4.283 4.470 0.000 0.000 0.240 155 S C 1.479 175.944 174.600 -0.224 0.000 1.014 155 S CA 1.550 59.311 58.200 -0.732 0.000 0.980 155 S CB -0.464 62.188 63.200 -0.913 0.000 0.775 155 S HN 0.623 nan 8.310 nan 0.000 0.499 156 T N 0.768 115.235 114.554 -0.146 0.000 2.897 156 T HA 0.023 4.373 4.350 0.000 0.000 0.271 156 T C 0.344 174.919 174.700 -0.208 0.000 1.084 156 T CA 1.038 63.025 62.100 -0.188 0.000 1.123 156 T CB -0.381 68.332 68.868 -0.258 0.000 0.865 156 T HN 0.554 nan 8.240 nan 0.000 0.496 157 Y N 0.361 120.638 120.300 -0.037 0.000 2.418 157 Y HA 0.390 4.940 4.550 0.000 0.000 0.327 157 Y C 1.722 177.651 175.900 0.050 0.000 1.309 157 Y CA -1.016 57.093 58.100 0.015 0.000 1.423 157 Y CB 0.620 39.106 38.460 0.043 0.000 1.423 157 Y HN -0.209 nan 8.280 nan 0.000 0.532 158 E N 0.532 120.911 120.200 0.299 0.000 2.005 158 E HA -0.039 4.311 4.350 0.000 0.000 0.191 158 E C -0.100 176.597 176.600 0.162 0.000 0.987 158 E CA 1.188 57.706 56.400 0.197 0.000 0.814 158 E CB -0.229 29.644 29.700 0.290 0.000 0.772 158 E HN 0.439 nan 8.360 nan 0.000 0.453 159 F N 1.403 121.406 119.950 0.089 0.000 2.659 159 F HA 0.169 4.696 4.527 0.000 0.000 0.360 159 F C -0.091 175.752 175.800 0.072 0.000 1.218 159 F CA -0.507 57.527 58.000 0.055 0.000 1.317 159 F CB -1.061 37.946 39.000 0.011 0.000 1.697 159 F HN -0.018 nan 8.300 nan 0.000 0.637 160 F N 3.427 123.414 119.950 0.061 0.000 2.569 160 F HA -0.105 4.422 4.527 0.000 0.000 0.395 160 F C 1.428 177.211 175.800 -0.029 0.000 1.028 160 F CA 0.277 58.283 58.000 0.010 0.000 1.158 160 F CB 0.132 39.121 39.000 -0.018 0.000 1.023 160 F HN 0.502 nan 8.300 nan 0.000 0.547 161 N N 3.694 122.103 118.700 -0.486 0.000 2.714 161 N HA -0.205 4.535 4.740 0.000 0.000 0.250 161 N C 1.257 176.565 175.510 -0.338 0.000 1.117 161 N CA 0.693 53.373 53.050 -0.617 0.000 0.719 161 N CB -0.905 36.905 38.487 -1.128 0.000 1.081 161 N HN 0.969 nan 8.380 nan 0.000 0.557 162 G N -0.066 108.662 108.800 -0.121 0.000 2.450 162 G HA2 -0.097 3.863 3.960 0.000 0.000 0.220 162 G HA3 -0.097 3.863 3.960 0.000 0.000 0.220 162 G C 1.595 176.475 174.900 -0.035 0.000 1.130 162 G CA 1.543 46.653 45.100 0.016 0.000 0.760 162 G HN 0.581 nan 8.290 nan 0.000 0.557 163 A N 1.340 124.099 122.820 -0.101 0.000 1.865 163 A HA 0.195 4.515 4.320 0.000 0.000 0.217 163 A C 2.844 180.192 177.584 -0.394 0.000 1.191 163 A CA 2.501 54.421 52.037 -0.195 0.000 0.623 163 A CB -0.948 17.883 19.000 -0.282 0.000 0.826 163 A HN 0.860 nan 8.150 nan 0.000 0.444 164 A N -0.609 121.987 122.820 -0.374 0.000 1.969 164 A HA -0.124 4.196 4.320 0.000 0.000 0.218 164 A C 2.096 179.539 177.584 -0.236 0.000 1.169 164 A CA 1.774 53.603 52.037 -0.347 0.000 0.635 164 A CB -0.368 18.417 19.000 -0.359 0.000 0.810 164 A HN 0.574 nan 8.150 nan 0.000 0.445 165 K N -0.336 119.943 120.400 -0.200 0.000 2.062 165 K HA -0.092 4.228 4.320 0.000 0.000 0.205 165 K C 2.204 178.724 176.600 -0.134 0.000 1.051 165 K CA 1.334 57.536 56.287 -0.142 0.000 0.941 165 K CB -0.119 32.308 32.500 -0.122 0.000 0.719 165 K HN 0.445 nan 8.250 nan 0.000 0.440 166 K N 1.123 121.462 120.400 -0.102 0.000 2.026 166 K HA -0.142 4.178 4.320 0.000 0.000 0.208 166 K C 2.175 178.613 176.600 -0.269 0.000 1.048 166 K CA 1.322 57.512 56.287 -0.161 0.000 0.929 166 K CB -0.133 32.427 32.500 0.100 0.000 0.713 166 K HN 0.105 nan 8.250 nan 0.000 0.439 167 A N 1.869 124.671 122.820 -0.031 0.000 1.873 167 A HA -0.235 4.085 4.320 0.000 0.000 0.218 167 A C 2.085 179.607 177.584 -0.104 0.000 1.193 167 A CA 1.826 53.876 52.037 0.022 0.000 0.629 167 A CB -0.771 18.174 19.000 -0.092 0.000 0.826 167 A HN 0.475 nan 8.150 nan 0.000 0.447 168 E N -0.076 120.058 120.200 -0.111 0.000 2.065 168 E HA -0.280 4.070 4.350 0.000 0.000 0.201 168 E C 2.102 178.686 176.600 -0.027 0.000 1.016 168 E CA 1.958 58.338 56.400 -0.034 0.000 0.818 168 E CB -0.249 29.448 29.700 -0.006 0.000 0.749 168 E HN 0.670 nan 8.360 nan 0.000 0.453 169 K N -0.447 119.884 120.400 -0.115 0.000 1.991 169 K HA -0.205 4.115 4.320 0.000 0.000 0.212 169 K C 2.202 178.799 176.600 -0.006 0.000 1.049 169 K CA 1.827 58.059 56.287 -0.092 0.000 0.932 169 K CB -0.264 32.130 32.500 -0.177 0.000 0.717 169 K HN 0.206 nan 8.250 nan 0.000 0.441 170 H N 0.736 119.802 119.070 -0.006 0.000 2.422 170 H HA -0.123 4.433 4.556 0.000 0.000 0.298 170 H C 2.185 177.474 175.328 -0.065 0.000 1.098 170 H CA 1.297 57.319 56.048 -0.044 0.000 1.315 170 H CB -0.440 29.283 29.762 -0.065 0.000 1.382 170 H HN 0.221 nan 8.280 nan 0.000 0.523 171 L N 0.005 121.245 121.223 0.029 0.000 1.976 171 L HA -0.168 4.172 4.340 0.000 0.000 0.209 171 L C 2.495 179.402 176.870 0.062 0.000 1.071 171 L CA 1.327 56.144 54.840 -0.038 0.000 0.746 171 L CB -0.363 41.543 42.059 -0.255 0.000 0.890 171 L HN 0.142 nan 8.230 nan 0.000 0.432 172 S N -0.195 115.576 115.700 0.119 0.000 2.419 172 S HA -0.210 4.260 4.470 0.000 0.000 0.235 172 S C 2.062 176.709 174.600 0.078 0.000 1.019 172 S CA 1.079 59.358 58.200 0.131 0.000 0.982 172 S CB -0.332 62.941 63.200 0.121 0.000 0.789 172 S HN 0.517 nan 8.310 nan 0.000 0.490 173 A N 1.739 124.599 122.820 0.067 0.000 1.865 173 A HA 0.058 4.378 4.320 0.000 0.000 0.217 173 A C 2.290 179.884 177.584 0.017 0.000 1.191 173 A CA 1.697 53.761 52.037 0.046 0.000 0.623 173 A CB -1.122 17.915 19.000 0.061 0.000 0.826 173 A HN 0.554 nan 8.150 nan 0.000 0.444 174 A N -1.989 120.832 122.820 0.002 0.000 2.239 174 A HA 0.376 4.696 4.320 0.000 0.000 0.209 174 A C 1.738 179.331 177.584 0.016 0.000 1.171 174 A CA 1.386 53.411 52.037 -0.020 0.000 0.768 174 A CB -1.030 17.931 19.000 -0.065 0.000 0.790 174 A HN 2.058 nan 8.150 nan 0.000 0.478 175 G N -2.561 106.265 108.800 0.043 0.000 2.134 175 G HA2 0.166 4.126 3.960 0.000 0.000 0.209 175 G HA3 0.166 4.126 3.960 0.000 0.000 0.209 175 G C 0.254 175.210 174.900 0.092 0.000 0.993 175 G CA 0.116 45.250 45.100 0.057 0.000 0.669 175 G HN 1.530 nan 8.290 nan 0.000 0.519 176 A N 0.125 123.031 122.820 0.142 0.000 2.363 176 A HA 0.739 5.059 4.320 0.000 0.000 0.270 176 A C 0.494 178.231 177.584 0.254 0.000 1.121 176 A CA -0.188 51.993 52.037 0.239 0.000 0.800 176 A CB 0.414 19.608 19.000 0.323 0.000 1.052 176 A HN 0.702 nan 8.150 nan 0.000 0.493 177 I N 2.290 122.943 120.570 0.139 0.000 2.342 177 I HA 0.258 4.428 4.170 0.000 0.000 0.291 177 I C 0.783 176.702 176.117 -0.330 0.000 1.010 177 I CA -0.219 61.064 61.300 -0.028 0.000 1.308 177 I CB 1.082 39.065 38.000 -0.030 0.000 1.400 177 I HN 0.755 nan 8.210 nan 0.000 0.488 178 R N 6.884 127.083 120.500 -0.501 0.000 2.308 178 R HA 0.553 4.893 4.340 0.000 0.000 0.305 178 R C -1.262 174.796 176.300 -0.404 0.000 1.053 178 R CA -0.476 55.092 56.100 -0.887 0.000 0.957 178 R CB 0.807 30.735 30.300 -0.620 0.000 1.022 178 R HN 0.598 nan 8.270 nan 0.000 0.461 179 L N 4.603 125.620 121.223 -0.344 0.000 2.309 179 L HA 0.492 4.832 4.340 0.000 0.000 0.282 179 L C 0.754 177.554 176.870 -0.118 0.000 1.036 179 L CA 0.033 54.774 54.840 -0.166 0.000 0.806 179 L CB 1.734 43.731 42.059 -0.103 0.000 1.220 179 L HN 1.059 nan 8.230 nan 0.000 0.429 180 G N 3.038 111.778 108.800 -0.099 0.000 2.752 180 G HA2 -0.227 3.733 3.960 0.000 0.000 0.234 180 G HA3 -0.227 3.733 3.960 0.000 0.000 0.234 180 G C -0.486 174.405 174.900 -0.015 0.000 1.367 180 G CA -0.547 44.502 45.100 -0.086 0.000 0.879 180 G HN 0.585 nan 8.290 nan 0.000 0.563 181 K N -0.994 119.427 120.400 0.034 0.000 2.102 181 K HA 0.547 4.867 4.320 0.000 0.000 0.244 181 K C 0.400 177.162 176.600 0.269 0.000 1.021 181 K CA -0.695 55.665 56.287 0.121 0.000 0.913 181 K CB 1.128 33.704 32.500 0.127 0.000 1.062 181 K HN 0.431 nan 8.250 nan 0.000 0.485 182 L N 2.438 123.769 121.223 0.180 0.000 2.352 182 L HA 0.219 4.559 4.340 0.000 0.000 0.272 182 L C 0.088 176.979 176.870 0.035 0.000 1.109 182 L CA -0.382 54.532 54.840 0.125 0.000 0.952 182 L CB -0.169 41.907 42.059 0.028 0.000 1.314 182 L HN 0.733 nan 8.230 nan 0.000 0.427 183 G N 3.817 112.608 108.800 -0.016 0.000 2.368 183 G HA2 0.001 3.961 3.960 0.000 0.000 0.233 183 G HA3 0.001 3.961 3.960 0.000 0.000 0.233 183 G C -0.424 174.238 174.900 -0.397 0.000 1.267 183 G CA -0.095 44.883 45.100 -0.203 0.000 0.873 183 G HN 0.756 nan 8.290 nan 0.000 0.539 184 E N 0.511 120.539 120.200 -0.287 0.000 2.343 184 E HA 0.436 4.787 4.350 0.000 0.000 0.260 184 E C -0.307 176.153 176.600 -0.233 0.000 0.908 184 E CA -0.637 55.524 56.400 -0.398 0.000 0.814 184 E CB 1.737 31.271 29.700 -0.276 0.000 1.302 184 E HN 0.666 nan 8.360 nan 0.000 0.408 185 A N 2.895 125.445 122.820 -0.450 0.000 2.328 185 A HA 0.266 4.586 4.320 0.000 0.000 0.284 185 A C -0.338 177.284 177.584 0.064 0.000 1.160 185 A CA -0.393 51.555 52.037 -0.149 0.000 0.818 185 A CB 0.573 19.425 19.000 -0.247 0.000 1.087 185 A HN 0.486 nan 8.150 nan 0.000 0.504 186 D N 1.817 122.299 120.400 0.136 0.000 2.454 186 D HA 0.200 4.840 4.640 0.000 0.000 0.225 186 D C -0.011 176.317 176.300 0.047 0.000 1.081 186 D CA -0.157 53.917 54.000 0.123 0.000 0.864 186 D CB 1.282 42.065 40.800 -0.028 0.000 1.040 186 D HN 0.519 nan 8.370 nan 0.000 0.517 187 D N 1.889 122.327 120.400 0.063 0.000 2.363 187 D HA 0.025 4.665 4.640 0.000 0.000 0.220 187 D C 1.784 178.097 176.300 0.022 0.000 0.994 187 D CA 0.549 54.580 54.000 0.052 0.000 0.890 187 D CB 0.314 41.153 40.800 0.065 0.000 0.906 187 D HN 0.603 nan 8.370 nan 0.000 0.530 188 G N 0.090 108.873 108.800 -0.028 0.000 2.395 188 G HA2 -0.053 3.907 3.960 0.000 0.000 0.214 188 G HA3 -0.053 3.907 3.960 0.000 0.000 0.214 188 G C 1.513 176.374 174.900 -0.065 0.000 1.177 188 G CA 0.614 45.673 45.100 -0.068 0.000 0.794 188 G HN 0.296 nan 8.290 nan 0.000 0.532 189 A N 0.027 122.804 122.820 -0.072 0.000 2.235 189 A HA 0.435 4.755 4.320 0.000 0.000 0.208 189 A C 1.997 179.572 177.584 -0.015 0.000 1.172 189 A CA 1.302 53.310 52.037 -0.049 0.000 0.786 189 A CB -0.661 18.307 19.000 -0.053 0.000 0.804 189 A HN 1.609 nan 8.150 nan 0.000 0.479 190 G N -0.596 108.205 108.800 0.002 0.000 2.249 190 G HA2 -0.302 3.658 3.960 0.000 0.000 0.273 190 G HA3 -0.302 3.658 3.960 0.000 0.000 0.273 190 G C 0.692 175.615 174.900 0.039 0.000 1.036 190 G CA 1.331 46.445 45.100 0.022 0.000 0.824 190 G HN 1.291 nan 8.290 nan 0.000 0.504 191 T N -4.431 110.151 114.554 0.047 0.000 3.054 191 T HA 0.236 4.586 4.350 0.000 0.000 0.255 191 T C 2.027 176.788 174.700 0.102 0.000 1.035 191 T CA 1.271 63.414 62.100 0.070 0.000 0.941 191 T CB 0.180 69.082 68.868 0.057 0.000 1.026 191 T HN 0.168 nan 8.240 nan 0.000 0.533 192 T N 2.669 117.282 114.554 0.098 0.000 2.649 192 T HA -0.229 4.121 4.350 0.000 0.000 0.268 192 T C 1.532 176.302 174.700 0.116 0.000 1.036 192 T CA 2.295 64.456 62.100 0.102 0.000 1.157 192 T CB -0.670 68.257 68.868 0.099 0.000 0.861 192 T HN 0.563 nan 8.240 nan 0.000 0.445 193 D N 0.260 120.766 120.400 0.178 0.000 2.097 193 D HA -0.099 4.541 4.640 0.000 0.000 0.195 193 D C 2.334 178.773 176.300 0.231 0.000 0.989 193 D CA 0.931 55.084 54.000 0.255 0.000 0.827 193 D CB -0.044 40.929 40.800 0.288 0.000 0.966 193 D HN 0.166 nan 8.370 nan 0.000 0.456 194 E N 0.556 120.865 120.200 0.181 0.000 2.110 194 E HA -0.138 4.212 4.350 0.000 0.000 0.193 194 E C 1.765 178.453 176.600 0.147 0.000 0.988 194 E CA 0.777 57.266 56.400 0.148 0.000 0.804 194 E CB -0.345 29.431 29.700 0.126 0.000 0.745 194 E HN 0.472 nan 8.360 nan 0.000 0.458 195 D N -0.089 120.416 120.400 0.174 0.000 2.133 195 D HA -0.196 4.444 4.640 0.000 0.000 0.195 195 D C 1.883 178.344 176.300 0.270 0.000 0.997 195 D CA 0.963 55.100 54.000 0.227 0.000 0.840 195 D CB -0.391 40.558 40.800 0.248 0.000 0.947 195 D HN 0.242 nan 8.370 nan 0.000 0.452 196 Y N 1.489 121.826 120.300 0.061 0.000 2.060 196 Y HA -0.241 4.309 4.550 0.000 0.000 0.276 196 Y C 2.353 178.227 175.900 -0.043 0.000 1.127 196 Y CA 1.496 59.414 58.100 -0.303 0.000 1.104 196 Y CB -0.505 37.675 38.460 -0.466 0.000 0.983 196 Y HN -0.214 nan 8.280 nan 0.000 0.483 197 M N 0.611 120.167 119.600 -0.073 0.000 2.147 197 M HA -0.370 4.110 4.480 0.000 0.000 0.253 197 M C 2.367 178.593 176.300 -0.123 0.000 1.075 197 M CA 2.115 57.346 55.300 -0.114 0.000 1.085 197 M CB -2.085 30.537 32.600 0.038 0.000 1.305 197 M HN 0.546 nan 8.290 nan 0.000 0.409 198 A N -0.787 122.023 122.820 -0.017 0.000 1.834 198 A HA -0.257 4.063 4.320 0.000 0.000 0.216 198 A C 2.021 179.616 177.584 0.018 0.000 1.203 198 A CA 1.961 54.013 52.037 0.024 0.000 0.621 198 A CB -1.660 17.394 19.000 0.090 0.000 0.841 198 A HN 0.715 nan 8.150 nan 0.000 0.446 199 W N 0.970 122.177 121.300 -0.156 0.000 2.325 199 W HA -0.224 4.436 4.660 0.000 0.000 0.299 199 W C 2.247 178.612 176.519 -0.257 0.000 1.215 199 W CA 2.470 59.712 57.345 -0.170 0.000 1.244 199 W CB -0.008 29.373 29.460 -0.133 0.000 1.140 199 W HN 0.378 nan 8.180 nan 0.000 0.523 200 K N 0.293 120.565 120.400 -0.212 0.000 2.001 200 K HA -0.261 4.059 4.320 0.000 0.000 0.214 200 K C 1.690 178.142 176.600 -0.247 0.000 1.050 200 K CA 2.237 58.323 56.287 -0.336 0.000 0.934 200 K CB -0.801 31.326 32.500 -0.622 0.000 0.718 200 K HN 0.034 nan 8.250 nan 0.000 0.443 201 D N 0.281 120.571 120.400 -0.184 0.000 2.182 201 D HA -0.138 4.502 4.640 0.000 0.000 0.201 201 D C 2.073 178.292 176.300 -0.136 0.000 0.986 201 D CA 1.622 55.553 54.000 -0.116 0.000 0.847 201 D CB -0.070 40.686 40.800 -0.073 0.000 0.942 201 D HN 0.416 nan 8.370 nan 0.000 0.467 202 S N 0.417 115.999 115.700 -0.196 0.000 2.345 202 S HA -0.121 4.349 4.470 0.000 0.000 0.219 202 S C 2.110 176.547 174.600 -0.271 0.000 1.031 202 S CA 0.266 58.347 58.200 -0.200 0.000 0.984 202 S CB -0.500 62.585 63.200 -0.193 0.000 0.874 202 S HN 0.086 nan 8.310 nan 0.000 0.451 203 I N 2.135 122.416 120.570 -0.482 0.000 2.264 203 I HA -0.058 4.112 4.170 0.000 0.000 0.248 203 I C 2.248 178.228 176.117 -0.229 0.000 1.111 203 I CA 0.958 61.961 61.300 -0.496 0.000 1.382 203 I CB -0.507 36.875 38.000 -1.030 0.000 1.060 203 I HN 0.350 nan 8.210 nan 0.000 0.418 204 L N -0.489 120.644 121.223 -0.149 0.000 2.046 204 L HA -0.223 4.117 4.340 0.000 0.000 0.208 204 L C 2.468 179.284 176.870 -0.089 0.000 1.077 204 L CA 1.410 56.211 54.840 -0.064 0.000 0.747 204 L CB -0.643 41.426 42.059 0.017 0.000 0.896 204 L HN 0.205 nan 8.230 nan 0.000 0.432 205 E N 0.000 120.148 120.200 -0.087 0.000 2.058 205 E HA -0.183 4.167 4.350 0.000 0.000 0.194 205 E C 2.073 178.603 176.600 -0.117 0.000 0.997 205 E CA 1.384 57.735 56.400 -0.081 0.000 0.801 205 E CB -0.221 29.434 29.700 -0.075 0.000 0.746 205 E HN 0.191 nan 8.360 nan 0.000 0.450 206 V N 0.741 120.576 119.914 -0.132 0.000 2.214 206 V HA -0.332 3.788 4.120 0.000 0.000 0.247 206 V C 2.500 178.510 176.094 -0.140 0.000 1.051 206 V CA 2.206 64.428 62.300 -0.129 0.000 1.003 206 V CB -0.815 30.929 31.823 -0.133 0.000 0.635 206 V HN 0.307 nan 8.190 nan 0.000 0.447 207 L N -0.187 120.954 121.223 -0.137 0.000 2.051 207 L HA -0.308 4.032 4.340 0.000 0.000 0.214 207 L C 2.617 179.324 176.870 -0.273 0.000 1.076 207 L CA 2.342 57.089 54.840 -0.155 0.000 0.758 207 L CB -0.764 41.197 42.059 -0.163 0.000 0.890 207 L HN 0.371 nan 8.230 nan 0.000 0.433 208 K N -0.089 120.108 120.400 -0.339 0.000 2.152 208 K HA -0.223 4.097 4.320 0.000 0.000 0.206 208 K C 1.405 177.843 176.600 -0.270 0.000 1.048 208 K CA 2.000 58.056 56.287 -0.385 0.000 0.933 208 K CB 0.060 32.417 32.500 -0.238 0.000 0.721 208 K HN 0.322 nan 8.250 nan 0.000 0.447 209 D N 0.054 120.312 120.400 -0.237 0.000 2.202 209 D HA -0.079 4.561 4.640 0.000 0.000 0.214 209 D C 1.784 177.875 176.300 -0.347 0.000 0.967 209 D CA 0.588 54.416 54.000 -0.287 0.000 0.871 209 D CB -0.159 40.520 40.800 -0.201 0.000 1.020 209 D HN 0.102 nan 8.370 nan 0.000 0.474 210 E N 0.255 120.328 120.200 -0.212 0.000 2.130 210 E HA -0.115 4.235 4.350 0.000 0.000 0.196 210 E C 1.730 178.264 176.600 -0.111 0.000 0.998 210 E CA 0.748 57.063 56.400 -0.142 0.000 0.806 210 E CB 0.005 29.662 29.700 -0.072 0.000 0.738 210 E HN 0.345 nan 8.360 nan 0.000 0.459 211 L N -0.631 120.517 121.223 -0.124 0.000 2.693 211 L HA 0.132 4.472 4.340 0.000 0.000 0.235 211 L C -0.004 176.879 176.870 0.022 0.000 1.127 211 L CA -0.150 54.670 54.840 -0.033 0.000 0.914 211 L CB -0.011 42.023 42.059 -0.043 0.000 1.193 211 L HN 0.154 nan 8.230 nan 0.000 0.502 212 H N 0.219 119.243 119.070 -0.078 0.000 2.741 212 H HA -0.125 4.431 4.556 0.000 0.000 0.305 212 H C 0.186 175.474 175.328 -0.067 0.000 1.169 212 H CA 0.414 56.426 56.048 -0.060 0.000 1.144 212 H CB -1.619 28.124 29.762 -0.032 0.000 1.397 212 H HN 0.293 nan 8.280 nan 0.000 0.409 213 L N 1.092 122.268 121.223 -0.077 0.000 2.417 213 L HA 0.157 4.497 4.340 0.000 0.000 0.268 213 L C 0.858 177.759 176.870 0.050 0.000 1.158 213 L CA 0.170 54.961 54.840 -0.082 0.000 0.819 213 L CB 0.594 42.385 42.059 -0.446 0.000 1.112 213 L HN 0.012 nan 8.230 nan 0.000 0.458 214 D N 2.348 122.835 120.400 0.145 0.000 2.329 214 D HA 0.167 4.807 4.640 0.000 0.000 0.232 214 D C -0.177 176.273 176.300 0.250 0.000 1.088 214 D CA -0.200 53.894 54.000 0.156 0.000 0.835 214 D CB 1.682 42.540 40.800 0.097 0.000 1.078 214 D HN 0.472 nan 8.370 nan 0.000 0.495 215 E N 1.753 122.102 120.200 0.248 0.000 2.366 215 E HA 0.160 4.510 4.350 0.000 0.000 0.266 215 E C -0.331 176.252 176.600 -0.028 0.000 1.051 215 E CA -0.382 56.084 56.400 0.110 0.000 0.884 215 E CB 0.910 30.669 29.700 0.100 0.000 1.006 215 E HN 0.442 nan 8.360 nan 0.000 0.417 216 Q N 2.028 121.744 119.800 -0.140 0.000 2.552 216 Q HA 0.328 4.668 4.340 0.000 0.000 0.289 216 Q C -0.820 175.096 176.000 -0.140 0.000 1.097 216 Q CA -1.015 54.725 55.803 -0.106 0.000 0.812 216 Q CB 1.086 29.772 28.738 -0.086 0.000 1.460 216 Q HN 0.441 nan 8.270 nan 0.000 0.452 217 E N 0.524 120.664 120.200 -0.100 0.000 2.366 217 E HA 0.256 4.606 4.350 0.000 0.000 0.266 217 E C -0.664 175.868 176.600 -0.113 0.000 1.015 217 E CA -0.138 56.203 56.400 -0.098 0.000 0.906 217 E CB 0.596 30.249 29.700 -0.079 0.000 0.979 217 E HN 0.620 nan 8.360 nan 0.000 0.443 218 A N 5.471 128.221 122.820 -0.117 0.000 2.566 218 A HA 0.017 4.337 4.320 0.000 0.000 0.245 218 A C 0.036 177.579 177.584 -0.068 0.000 1.056 218 A CA 0.624 52.602 52.037 -0.099 0.000 0.757 218 A CB 0.154 19.114 19.000 -0.067 0.000 0.979 218 A HN 0.655 nan 8.150 nan 0.000 0.508 219 K N 2.859 123.235 120.400 -0.039 0.000 2.513 219 K HA 0.425 4.745 4.320 0.000 0.000 0.251 219 K C -0.908 175.751 176.600 0.097 0.000 0.939 219 K CA -0.740 55.540 56.287 -0.012 0.000 0.793 219 K CB 1.104 33.575 32.500 -0.048 0.000 1.241 219 K HN 0.550 nan 8.250 nan 0.000 0.431 220 F N 2.235 122.205 119.950 0.033 0.000 2.586 220 F HA 0.190 4.717 4.527 0.000 0.000 0.344 220 F C -0.441 175.435 175.800 0.126 0.000 1.188 220 F CA 0.872 58.974 58.000 0.170 0.000 1.359 220 F CB 0.826 40.037 39.000 0.352 0.000 1.129 220 F HN 0.436 nan 8.300 nan 0.000 0.609 221 T N 3.985 117.952 114.554 -0.978 0.000 3.348 221 T HA 0.147 4.497 4.350 0.000 0.000 0.328 221 T C -0.595 173.492 174.700 -1.022 0.000 0.913 221 T CA -0.644 60.987 62.100 -0.783 0.000 1.043 221 T CB 0.715 69.393 68.868 -0.317 0.000 1.021 221 T HN 0.721 nan 8.240 nan 0.000 0.461 222 S N 1.878 116.981 115.700 -0.995 0.000 2.549 222 S HA 0.041 4.511 4.470 0.000 0.000 0.286 222 S C 1.296 175.778 174.600 -0.198 0.000 1.314 222 S CA -0.096 57.886 58.200 -0.362 0.000 1.062 222 S CB 0.601 63.839 63.200 0.064 0.000 0.865 222 S HN 0.669 nan 8.310 nan 0.000 0.498 223 Q N 2.462 122.136 119.800 -0.210 0.000 2.425 223 Q HA 0.152 4.492 4.340 0.000 0.000 0.204 223 Q C -0.685 174.929 176.000 -0.643 0.000 0.933 223 Q CA 0.540 56.060 55.803 -0.472 0.000 0.939 223 Q CB 0.229 28.546 28.738 -0.702 0.000 1.044 223 Q HN 0.666 nan 8.270 nan 0.000 0.513 224 F N -0.480 119.510 119.950 0.066 0.000 2.618 224 F HA 0.341 4.868 4.527 0.000 0.000 0.332 224 F C 0.069 175.936 175.800 0.112 0.000 1.061 224 F CA -1.372 56.682 58.000 0.091 0.000 0.974 224 F CB 1.204 40.280 39.000 0.127 0.000 1.310 224 F HN -0.303 nan 8.300 nan 0.000 0.491 225 Q N 1.170 121.177 119.800 0.345 0.000 2.431 225 Q HA 0.231 4.571 4.340 0.000 0.000 0.249 225 Q C -1.777 174.393 176.000 0.283 0.000 1.025 225 Q CA -0.412 55.538 55.803 0.244 0.000 0.835 225 Q CB 0.369 29.206 28.738 0.165 0.000 1.207 225 Q HN 0.574 nan 8.270 nan 0.000 0.490 226 Y N 3.541 123.950 120.300 0.181 0.000 2.556 226 Y HA 0.332 4.882 4.550 0.000 0.000 0.352 226 Y C -0.749 175.243 175.900 0.153 0.000 1.006 226 Y CA -0.002 58.201 58.100 0.172 0.000 1.277 226 Y CB 0.545 39.082 38.460 0.128 0.000 1.136 226 Y HN 0.497 nan 8.280 nan 0.000 0.523 227 T N 5.529 120.024 114.554 -0.098 0.000 2.867 227 T HA 0.412 4.762 4.350 0.000 0.000 0.282 227 T C -0.802 173.802 174.700 -0.161 0.000 1.000 227 T CA -0.653 61.418 62.100 -0.048 0.000 1.042 227 T CB 1.532 70.399 68.868 -0.002 0.000 0.973 227 T HN 0.320 nan 8.240 nan 0.000 0.465 228 V N 4.600 124.506 119.914 -0.014 0.000 2.370 228 V HA 0.407 4.527 4.120 0.000 0.000 0.279 228 V C -0.032 176.080 176.094 0.031 0.000 1.029 228 V CA -0.594 61.725 62.300 0.031 0.000 0.870 228 V CB 0.818 32.721 31.823 0.133 0.000 0.984 228 V HN 0.686 nan 8.190 nan 0.000 0.451 229 L N 4.321 125.553 121.223 0.016 0.000 2.400 229 L HA 0.557 4.898 4.340 0.000 0.000 0.264 229 L C 0.920 177.804 176.870 0.022 0.000 1.061 229 L CA -0.714 54.131 54.840 0.009 0.000 0.799 229 L CB 1.173 43.221 42.059 -0.019 0.000 1.240 229 L HN 0.542 nan 8.230 nan 0.000 0.461 230 N N 0.210 118.920 118.700 0.016 0.000 2.413 230 N HA 0.001 4.742 4.740 0.000 0.000 0.193 230 N C -0.035 175.482 175.510 0.012 0.000 1.043 230 N CA 0.529 53.591 53.050 0.020 0.000 0.910 230 N CB 0.236 38.734 38.487 0.019 0.000 1.111 230 N HN 0.675 nan 8.380 nan 0.000 0.452 231 E N 0.598 120.801 120.200 0.005 0.000 2.235 231 E HA 0.480 4.830 4.350 0.000 0.000 0.265 231 E C -0.536 176.058 176.600 -0.010 0.000 0.940 231 E CA -0.676 55.724 56.400 -0.000 0.000 0.819 231 E CB 1.793 31.494 29.700 0.001 0.000 1.206 231 E HN -0.009 nan 8.360 nan 0.000 0.409 232 I N 1.446 122.008 120.570 -0.013 0.000 2.720 232 I HA 0.191 4.361 4.170 0.000 0.000 0.287 232 I C 0.084 176.189 176.117 -0.020 0.000 1.090 232 I CA -0.105 61.181 61.300 -0.023 0.000 1.384 232 I CB 1.278 39.262 38.000 -0.027 0.000 1.420 232 I HN 0.568 nan 8.210 nan 0.000 0.575 233 T N 2.390 116.929 114.554 -0.025 0.000 2.906 233 T HA 0.159 4.509 4.350 0.000 0.000 0.295 233 T C 0.282 174.969 174.700 -0.022 0.000 1.075 233 T CA -0.522 61.568 62.100 -0.018 0.000 1.005 233 T CB 1.718 70.578 68.868 -0.013 0.000 1.136 233 T HN 0.497 nan 8.240 nan 0.000 0.498 234 D N 0.887 121.280 120.400 -0.012 0.000 2.403 234 D HA -0.024 4.616 4.640 0.000 0.000 0.227 234 D C 1.128 177.418 176.300 -0.016 0.000 0.995 234 D CA 0.852 54.845 54.000 -0.012 0.000 0.928 234 D CB 0.242 41.044 40.800 0.003 0.000 0.887 234 D HN 0.271 nan 8.370 nan 0.000 0.529 235 S N -0.484 115.209 115.700 -0.013 0.000 2.539 235 S HA 0.179 4.649 4.470 0.000 0.000 0.221 235 S C 0.839 175.410 174.600 -0.048 0.000 0.987 235 S CA -0.209 57.983 58.200 -0.013 0.000 0.929 235 S CB 0.678 63.896 63.200 0.030 0.000 0.832 235 S HN 0.175 nan 8.310 nan 0.000 0.492 236 M N 1.321 120.889 119.600 -0.053 0.000 2.363 236 M HA 0.387 4.867 4.480 0.000 0.000 0.343 236 M C 0.020 176.276 176.300 -0.072 0.000 1.165 236 M CA -0.262 54.996 55.300 -0.069 0.000 1.046 236 M CB 1.585 34.144 32.600 -0.069 0.000 1.648 236 M HN -0.042 nan 8.290 nan 0.000 0.452 237 S N 1.768 117.429 115.700 -0.066 0.000 2.554 237 S HA 0.492 4.962 4.470 0.000 0.000 0.278 237 S C 0.250 174.815 174.600 -0.058 0.000 1.242 237 S CA -0.656 57.520 58.200 -0.041 0.000 1.051 237 S CB 0.521 63.747 63.200 0.044 0.000 0.986 237 S HN 0.762 nan 8.310 nan 0.000 0.502 238 L N 4.051 125.218 121.223 -0.094 0.000 2.769 238 L HA 0.404 4.744 4.340 0.000 0.000 0.240 238 L C 1.439 178.179 176.870 -0.217 0.000 1.163 238 L CA 0.232 54.998 54.840 -0.124 0.000 0.962 238 L CB 0.283 42.267 42.059 -0.125 0.000 1.258 238 L HN 1.022 nan 8.230 nan 0.000 0.513 239 G N -0.674 107.975 108.800 -0.251 0.000 2.198 239 G HA2 -0.156 3.804 3.960 0.000 0.000 0.156 239 G HA3 -0.156 3.804 3.960 0.000 0.000 0.156 239 G C 0.016 174.624 174.900 -0.487 0.000 1.012 239 G CA -0.623 44.130 45.100 -0.578 0.000 0.692 239 G HN 0.278 nan 8.290 nan 0.000 0.492 240 E N 1.010 121.081 120.200 -0.214 0.000 2.436 240 E HA 0.196 4.546 4.350 0.000 0.000 0.262 240 E C -1.670 174.971 176.600 0.070 0.000 1.063 240 E CA -0.843 55.471 56.400 -0.144 0.000 0.944 240 E CB 0.815 30.494 29.700 -0.035 0.000 0.950 240 E HN 0.182 nan 8.360 nan 0.000 0.444 241 P HA -0.155 nan 4.420 nan 0.000 0.201 241 P C 0.594 178.017 177.300 0.206 0.000 0.995 241 P CA 1.112 64.292 63.100 0.134 0.000 0.866 241 P CB -0.147 31.381 31.700 -0.288 0.000 0.652 242 S N -1.177 114.627 115.700 0.172 0.000 2.634 242 S HA 0.376 4.847 4.470 0.000 0.000 0.261 242 S C 1.316 176.025 174.600 0.181 0.000 1.271 242 S CA -0.014 58.319 58.200 0.221 0.000 0.985 242 S CB 0.302 63.665 63.200 0.271 0.000 0.968 242 S HN 0.281 nan 8.310 nan 0.000 0.568 243 A N 0.103 122.946 122.820 0.039 0.000 2.066 243 A HA 0.007 4.327 4.320 0.000 0.000 0.218 243 A C 1.836 179.316 177.584 -0.172 0.000 1.157 243 A CA 0.785 52.755 52.037 -0.112 0.000 0.670 243 A CB -1.091 17.825 19.000 -0.141 0.000 0.804 243 A HN 0.934 nan 8.150 nan 0.000 0.453 244 H N -2.145 116.978 119.070 0.089 0.000 2.567 244 H HA -0.037 4.519 4.556 0.000 0.000 0.276 244 H C 0.390 175.628 175.328 -0.150 0.000 1.016 244 H CA 0.821 56.885 56.048 0.028 0.000 1.186 244 H CB -0.060 29.677 29.762 -0.040 0.000 1.351 244 H HN 0.711 nan 8.280 nan 0.000 0.605 245 Y N -0.287 120.052 120.300 0.065 0.000 2.457 245 Y HA 0.169 4.719 4.550 0.000 0.000 0.263 245 Y C 0.995 176.865 175.900 -0.050 0.000 1.164 245 Y CA -0.196 57.920 58.100 0.028 0.000 1.274 245 Y CB 0.528 39.000 38.460 0.020 0.000 1.097 245 Y HN -0.020 nan 8.280 nan 0.000 0.523 246 L N 1.451 122.647 121.223 -0.046 0.000 2.397 246 L HA 0.079 4.419 4.340 0.000 0.000 0.271 246 L C -1.229 175.607 176.870 -0.056 0.000 1.148 246 L CA -1.534 53.232 54.840 -0.123 0.000 0.825 246 L CB 1.025 42.884 42.059 -0.334 0.000 1.117 246 L HN -0.018 nan 8.230 nan 0.000 0.456 247 P HA -0.232 nan 4.420 nan 0.000 0.215 247 P C 1.691 179.017 177.300 0.044 0.000 1.163 247 P CA 1.788 64.893 63.100 0.009 0.000 0.894 247 P CB 0.122 31.820 31.700 -0.003 0.000 0.791 248 S N -1.564 114.170 115.700 0.057 0.000 2.389 248 S HA -0.247 4.223 4.470 0.000 0.000 0.231 248 S C 1.124 175.860 174.600 0.228 0.000 1.052 248 S CA 1.250 59.530 58.200 0.134 0.000 1.053 248 S CB -1.877 61.428 63.200 0.175 0.000 0.886 248 S HN 0.303 nan 8.310 nan 0.000 0.456 249 H N 0.857 119.937 119.070 0.017 0.000 2.548 249 H HA 0.464 5.020 4.556 0.000 0.000 0.366 249 H C 0.007 175.346 175.328 0.017 0.000 1.433 249 H CA -0.552 55.518 56.048 0.036 0.000 1.443 249 H CB 0.286 30.098 29.762 0.083 0.000 1.594 249 H HN 0.330 nan 8.280 nan 0.000 0.608 250 Q N 1.091 120.980 119.800 0.147 0.000 2.304 250 Q HA 0.176 4.516 4.340 0.000 0.000 0.270 250 Q C -1.331 174.645 176.000 -0.041 0.000 1.035 250 Q CA -1.021 54.801 55.803 0.032 0.000 0.781 250 Q CB 2.548 31.287 28.738 0.001 0.000 1.261 250 Q HN 0.231 nan 8.270 nan 0.000 0.444 251 L N 4.987 126.156 121.223 -0.089 0.000 2.456 251 L HA 0.059 4.399 4.340 0.000 0.000 0.277 251 L C 0.279 177.062 176.870 -0.144 0.000 1.124 251 L CA 0.378 55.113 54.840 -0.175 0.000 0.880 251 L CB 0.053 41.997 42.059 -0.191 0.000 1.192 251 L HN 0.553 nan 8.230 nan 0.000 0.463 252 N N 5.770 124.349 118.700 -0.202 0.000 2.434 252 N HA 0.053 4.793 4.740 0.000 0.000 0.268 252 N C -0.322 175.119 175.510 -0.113 0.000 1.256 252 N CA -0.097 52.858 53.050 -0.158 0.000 0.914 252 N CB 0.798 39.165 38.487 -0.200 0.000 1.088 252 N HN 0.625 nan 8.380 nan 0.000 0.478 253 R N 1.677 122.133 120.500 -0.073 0.000 3.173 253 R HA 0.391 4.731 4.340 0.000 0.000 0.225 253 R C 0.049 176.324 176.300 -0.043 0.000 1.587 253 R CA -0.917 55.155 56.100 -0.046 0.000 1.033 253 R CB 0.359 30.644 30.300 -0.025 0.000 1.804 253 R HN 0.748 nan 8.270 nan 0.000 0.526 254 N N -0.766 117.918 118.700 -0.028 0.000 3.002 254 N HA 0.218 4.958 4.740 0.000 0.000 0.331 254 N C 0.498 175.997 175.510 -0.017 0.000 1.384 254 N CA -0.103 52.932 53.050 -0.025 0.000 0.780 254 N CB 0.711 39.186 38.487 -0.020 0.000 1.492 254 N HN 0.458 nan 8.380 nan 0.000 0.608 255 A N -0.041 122.770 122.820 -0.015 0.000 1.927 255 A HA -0.206 4.114 4.320 0.000 0.000 0.220 255 A C 1.083 178.663 177.584 -0.006 0.000 1.185 255 A CA 2.043 54.073 52.037 -0.011 0.000 0.639 255 A CB -0.792 18.202 19.000 -0.009 0.000 0.820 255 A HN 0.735 nan 8.150 nan 0.000 0.451 256 D N -1.600 118.798 120.400 -0.004 0.000 2.325 256 D HA 0.296 4.936 4.640 0.000 0.000 0.225 256 D C 1.313 177.616 176.300 0.004 0.000 1.096 256 D CA 0.941 54.942 54.000 0.001 0.000 0.844 256 D CB 0.024 40.826 40.800 0.003 0.000 0.925 256 D HN 0.643 nan 8.370 nan 0.000 0.513 257 G N 1.415 110.216 108.800 0.001 0.000 2.162 257 G HA2 -0.307 3.653 3.960 0.000 0.000 0.260 257 G HA3 -0.307 3.653 3.960 0.000 0.000 0.260 257 G C 0.463 175.369 174.900 0.010 0.000 0.976 257 G CA -0.250 44.853 45.100 0.005 0.000 0.655 257 G HN 0.397 nan 8.290 nan 0.000 0.533 258 I N 1.368 121.940 120.570 0.004 0.000 2.517 258 I HA 0.102 4.272 4.170 0.000 0.000 0.285 258 I C 1.177 177.287 176.117 -0.012 0.000 1.106 258 I CA -0.115 61.184 61.300 -0.001 0.000 1.402 258 I CB 0.972 38.970 38.000 -0.004 0.000 1.399 258 I HN 0.281 nan 8.210 nan 0.000 0.535 259 Q N 5.960 125.748 119.800 -0.019 0.000 2.286 259 Q HA 0.183 4.523 4.340 0.000 0.000 0.290 259 Q C -0.625 175.402 176.000 0.045 0.000 1.049 259 Q CA 0.347 56.155 55.803 0.009 0.000 0.923 259 Q CB 0.776 29.529 28.738 0.024 0.000 1.183 259 Q HN 0.573 nan 8.270 nan 0.000 0.383 260 L N 2.427 123.660 121.223 0.016 0.000 2.790 260 L HA 0.718 5.058 4.340 0.000 0.000 0.219 260 L C 0.555 177.238 176.870 -0.312 0.000 2.006 260 L CA -0.562 54.249 54.840 -0.049 0.000 2.500 260 L CB 0.041 42.047 42.059 -0.088 0.000 2.732 260 L HN 0.928 nan 8.230 nan 0.000 0.605 261 G N 0.012 108.603 108.800 -0.347 0.000 2.797 261 G HA2 -0.130 3.830 3.960 0.000 0.000 0.686 261 G HA3 -0.130 3.830 3.960 0.000 0.000 0.686 261 G C -2.933 171.537 174.900 -0.717 0.000 1.452 261 G CA -1.098 43.701 45.100 -0.501 0.000 0.986 261 G HN 0.250 nan 8.290 nan 0.000 0.595 262 P HA 0.416 nan 4.420 nan 0.000 0.271 262 P C -0.284 176.769 177.300 -0.412 0.000 1.216 262 P CA 0.119 63.041 63.100 -0.297 0.000 0.771 262 P CB 0.251 31.872 31.700 -0.133 0.000 0.864 263 F N 2.966 122.944 119.950 0.046 0.000 2.311 263 F HA 0.256 4.783 4.527 0.000 0.000 0.371 263 F C 0.692 176.512 175.800 0.034 0.000 1.083 263 F CA -0.305 57.742 58.000 0.079 0.000 1.113 263 F CB 0.598 39.678 39.000 0.135 0.000 1.349 263 F HN 0.293 nan 8.300 nan 0.000 0.470 264 D N 0.891 121.338 120.400 0.079 0.000 2.831 264 D HA 0.321 4.961 4.640 0.000 0.000 0.240 264 D C 0.761 176.936 176.300 -0.209 0.000 1.183 264 D CA -0.563 53.277 54.000 -0.266 0.000 1.079 264 D CB 0.367 41.107 40.800 -0.099 0.000 1.262 264 D HN 0.079 nan 8.370 nan 0.000 0.634 265 L N 0.136 121.273 121.223 -0.145 0.000 2.465 265 L HA 0.061 4.401 4.340 0.000 0.000 0.224 265 L C 2.164 179.270 176.870 0.393 0.000 1.145 265 L CA 1.419 56.385 54.840 0.210 0.000 0.834 265 L CB -1.053 41.055 42.059 0.082 0.000 0.944 265 L HN 0.526 nan 8.230 nan 0.000 0.451 266 S N -1.415 114.442 115.700 0.262 0.000 2.421 266 S HA -0.034 4.436 4.470 0.000 0.000 0.224 266 S C 0.944 175.723 174.600 0.299 0.000 1.035 266 S CA -0.085 58.264 58.200 0.249 0.000 0.953 266 S CB -0.057 63.226 63.200 0.138 0.000 0.810 266 S HN 0.478 nan 8.310 nan 0.000 0.497 267 Q N 1.687 121.649 119.800 0.271 0.000 2.269 267 Q HA 0.515 4.855 4.340 0.000 0.000 0.263 267 Q C -3.113 173.048 176.000 0.268 0.000 0.983 267 Q CA -2.111 53.843 55.803 0.253 0.000 0.777 267 Q CB 2.661 31.548 28.738 0.249 0.000 1.273 267 Q HN 0.192 nan 8.270 nan 0.000 0.440 268 P HA 0.175 nan 4.420 nan 0.000 0.287 268 P C -1.632 175.788 177.300 0.199 0.000 1.296 268 P CA -0.487 62.537 63.100 -0.128 0.000 0.811 268 P CB 1.035 31.924 31.700 -1.351 0.000 1.211 269 Y N 0.206 120.364 120.300 -0.237 0.000 2.328 269 Y HA 0.486 5.036 4.550 0.000 0.000 0.336 269 Y C -0.088 175.626 175.900 -0.311 0.000 0.960 269 Y CA -1.238 56.600 58.100 -0.436 0.000 1.134 269 Y CB 0.726 38.474 38.460 -1.187 0.000 1.166 269 Y HN 0.094 nan 8.280 nan 0.000 0.464 270 I N 7.035 127.364 120.570 -0.402 0.000 2.483 270 I HA 0.217 4.387 4.170 0.000 0.000 0.291 270 I C 0.250 175.851 176.117 -0.860 0.000 1.112 270 I CA 0.169 61.155 61.300 -0.522 0.000 1.350 270 I CB 0.092 37.959 38.000 -0.221 0.000 1.419 270 I HN 0.684 nan 8.210 nan 0.000 0.523 271 A N 8.661 131.039 122.820 -0.736 0.000 2.320 271 A HA 0.702 5.023 4.320 0.000 0.000 0.334 271 A C -2.192 175.286 177.584 -0.177 0.000 1.147 271 A CA -1.628 50.082 52.037 -0.545 0.000 0.820 271 A CB 1.021 19.822 19.000 -0.331 0.000 1.218 271 A HN 0.362 nan 8.150 nan 0.000 0.482 272 P HA 0.152 nan 4.420 nan 0.000 0.202 272 P C -0.211 176.950 177.300 -0.231 0.000 1.027 272 P CA 0.543 63.578 63.100 -0.109 0.000 0.791 272 P CB 0.168 31.826 31.700 -0.070 0.000 0.612 273 I N -3.722 116.646 120.570 -0.337 0.000 5.512 273 I HA -0.115 4.055 4.170 0.000 0.000 0.273 273 I C 0.564 176.497 176.117 -0.307 0.000 1.813 273 I CA -0.341 60.587 61.300 -0.621 0.000 2.031 273 I CB -0.695 36.892 38.000 -0.687 0.000 3.352 273 I HN -0.206 nan 8.210 nan 0.000 0.172 274 V N 1.779 121.553 119.914 -0.233 0.000 2.358 274 V HA -0.055 4.065 4.120 0.000 0.000 0.246 274 V C 0.992 177.009 176.094 -0.128 0.000 1.047 274 V CA 1.627 63.852 62.300 -0.124 0.000 1.035 274 V CB -0.281 31.497 31.823 -0.075 0.000 0.658 274 V HN 0.547 nan 8.190 nan 0.000 0.452 275 K N 0.371 120.664 120.400 -0.179 0.000 2.422 275 K HA 0.589 4.909 4.320 0.000 0.000 0.251 275 K C -0.924 175.566 176.600 -0.184 0.000 0.933 275 K CA -0.093 56.109 56.287 -0.142 0.000 0.798 275 K CB 2.161 34.610 32.500 -0.084 0.000 1.238 275 K HN 0.331 nan 8.250 nan 0.000 0.428 276 S N 2.598 118.211 115.700 -0.144 0.000 2.572 276 S HA 0.817 5.287 4.470 0.000 0.000 0.274 276 S C -1.161 173.388 174.600 -0.084 0.000 1.150 276 S CA -1.072 57.040 58.200 -0.148 0.000 0.944 276 S CB 1.370 64.418 63.200 -0.254 0.000 1.071 276 S HN 0.778 nan 8.310 nan 0.000 0.479 277 R N 0.389 120.873 120.500 -0.027 0.000 2.781 277 R HA 0.764 5.104 4.340 0.000 0.000 0.269 277 R C -1.423 174.844 176.300 -0.055 0.000 1.025 277 R CA -0.945 55.126 56.100 -0.050 0.000 0.914 277 R CB 0.843 31.104 30.300 -0.066 0.000 1.236 277 R HN 0.548 nan 8.270 nan 0.000 0.465 278 E N 1.051 121.211 120.200 -0.066 0.000 2.227 278 E HA 0.232 4.582 4.350 0.000 0.000 0.282 278 E C -0.284 176.278 176.600 -0.063 0.000 1.015 278 E CA -0.521 55.841 56.400 -0.063 0.000 0.823 278 E CB 1.310 30.991 29.700 -0.031 0.000 1.081 278 E HN 0.716 nan 8.360 nan 0.000 0.396 279 L N 3.793 124.963 121.223 -0.088 0.000 2.463 279 L HA 0.287 4.627 4.340 0.000 0.000 0.219 279 L C 0.473 177.491 176.870 0.246 0.000 1.088 279 L CA 0.003 54.808 54.840 -0.059 0.000 0.849 279 L CB 0.024 41.969 42.059 -0.190 0.000 1.012 279 L HN 0.514 nan 8.230 nan 0.000 0.468 280 F N -0.472 119.482 119.950 0.007 0.000 2.411 280 F HA 0.150 4.677 4.527 0.000 0.000 0.324 280 F C 1.244 177.061 175.800 0.029 0.000 1.086 280 F CA -0.664 57.363 58.000 0.045 0.000 1.028 280 F CB 1.746 40.785 39.000 0.064 0.000 1.284 280 F HN -0.150 nan 8.300 nan 0.000 0.501 281 S N -0.922 114.900 115.700 0.204 0.000 2.819 281 S HA 0.083 4.553 4.470 0.000 0.000 0.249 281 S C -0.007 174.640 174.600 0.078 0.000 1.030 281 S CA -0.504 57.759 58.200 0.106 0.000 1.052 281 S CB 0.201 63.439 63.200 0.063 0.000 1.017 281 S HN 0.419 nan 8.310 nan 0.000 0.576 282 S N 2.615 118.372 115.700 0.095 0.000 2.614 282 S HA 0.291 4.761 4.470 0.000 0.000 0.265 282 S C 1.212 175.861 174.600 0.081 0.000 1.303 282 S CA -0.166 58.073 58.200 0.065 0.000 1.000 282 S CB 0.374 63.607 63.200 0.054 0.000 0.935 282 S HN 0.623 nan 8.310 nan 0.000 0.551 283 N N 1.175 119.910 118.700 0.059 0.000 2.236 283 N HA 0.083 4.823 4.740 0.000 0.000 0.196 283 N C -0.289 175.258 175.510 0.061 0.000 1.114 283 N CA 0.084 53.166 53.050 0.054 0.000 0.859 283 N CB 0.139 38.648 38.487 0.036 0.000 0.982 283 N HN 0.446 nan 8.380 nan 0.000 0.493 284 D N -0.139 120.306 120.400 0.075 0.000 2.473 284 D HA 0.190 4.830 4.640 0.000 0.000 0.230 284 D C 0.170 176.541 176.300 0.118 0.000 1.097 284 D CA 0.213 54.262 54.000 0.082 0.000 0.861 284 D CB 1.105 41.947 40.800 0.071 0.000 1.114 284 D HN 0.159 nan 8.370 nan 0.000 0.500 285 R N 0.709 121.305 120.500 0.159 0.000 2.803 285 R HA 0.563 4.903 4.340 0.000 0.000 0.276 285 R C -0.514 175.979 176.300 0.322 0.000 0.978 285 R CA -0.677 55.574 56.100 0.251 0.000 0.939 285 R CB 1.972 32.461 30.300 0.316 0.000 1.179 285 R HN -0.094 nan 8.270 nan 0.000 0.472 286 N N 0.404 119.255 118.700 0.252 0.000 2.277 286 N HA 0.352 5.092 4.740 0.000 0.000 0.286 286 N C -1.618 173.750 175.510 -0.236 0.000 1.140 286 N CA -0.432 52.663 53.050 0.075 0.000 0.799 286 N CB 2.672 41.176 38.487 0.028 0.000 1.596 286 N HN 0.453 nan 8.380 nan 0.000 0.473 287 C N 2.998 121.959 119.300 -0.566 0.000 2.607 287 C HA 0.519 4.979 4.460 0.000 0.000 0.350 287 C C -1.143 173.618 174.990 -0.382 0.000 1.101 287 C CA -0.551 58.044 59.018 -0.704 0.000 1.282 287 C CB -0.469 26.289 27.740 -1.636 0.000 1.825 287 C HN 0.566 nan 8.230 nan 0.000 0.460 288 I N 4.483 124.917 120.570 -0.226 0.000 2.488 288 I HA 0.329 4.499 4.170 0.000 0.000 0.299 288 I C 0.133 176.200 176.117 -0.083 0.000 0.984 288 I CA 0.070 61.280 61.300 -0.150 0.000 1.250 288 I CB 1.271 39.174 38.000 -0.162 0.000 1.389 288 I HN 0.826 nan 8.210 nan 0.000 0.488 289 H N 3.806 122.792 119.070 -0.139 0.000 2.595 289 H HA 0.528 5.084 4.556 0.000 0.000 0.313 289 H C -1.001 174.243 175.328 -0.140 0.000 1.023 289 H CA -0.098 55.906 56.048 -0.074 0.000 1.218 289 H CB 0.979 30.717 29.762 -0.040 0.000 1.403 289 H HN 0.541 nan 8.280 nan 0.000 0.477 290 S N 4.016 119.415 115.700 -0.502 0.000 2.532 290 S HA 0.343 4.813 4.470 0.000 0.000 0.301 290 S C -0.801 173.450 174.600 -0.582 0.000 1.083 290 S CA -0.954 56.947 58.200 -0.498 0.000 1.025 290 S CB 1.398 64.348 63.200 -0.417 0.000 1.056 290 S HN 0.733 nan 8.310 nan 0.000 0.494 291 E N 1.566 121.432 120.200 -0.557 0.000 2.220 291 E HA 0.325 4.675 4.350 0.000 0.000 0.256 291 E C -1.457 174.931 176.600 -0.353 0.000 0.881 291 E CA -0.287 55.854 56.400 -0.432 0.000 0.766 291 E CB 1.102 30.532 29.700 -0.450 0.000 1.187 291 E HN 0.376 nan 8.360 nan 0.000 0.419 292 F N 1.450 121.297 119.950 -0.172 0.000 2.394 292 F HA 0.189 4.716 4.527 0.000 0.000 0.340 292 F C 0.726 176.495 175.800 -0.051 0.000 1.105 292 F CA -0.713 57.209 58.000 -0.130 0.000 1.124 292 F CB 0.870 39.776 39.000 -0.156 0.000 1.145 292 F HN 0.292 nan 8.300 nan 0.000 0.505 293 D N 3.553 124.023 120.400 0.117 0.000 2.359 293 D HA 0.282 4.922 4.640 0.000 0.000 0.230 293 D C -0.031 176.369 176.300 0.166 0.000 1.118 293 D CA -0.110 53.960 54.000 0.116 0.000 0.844 293 D CB 0.758 41.597 40.800 0.066 0.000 1.059 293 D HN 0.508 nan 8.370 nan 0.000 0.493 294 L N 2.979 124.322 121.223 0.200 0.000 2.818 294 L HA 0.092 4.432 4.340 0.000 0.000 0.243 294 L C 1.929 178.912 176.870 0.189 0.000 1.185 294 L CA -0.127 54.870 54.840 0.261 0.000 0.988 294 L CB -0.035 42.162 42.059 0.231 0.000 1.292 294 L HN 0.343 nan 8.230 nan 0.000 0.519 295 S N -0.568 115.224 115.700 0.152 0.000 2.447 295 S HA -0.081 4.389 4.470 0.000 0.000 0.233 295 S C 1.716 176.364 174.600 0.080 0.000 1.006 295 S CA 0.857 59.117 58.200 0.100 0.000 0.957 295 S CB -0.365 62.886 63.200 0.085 0.000 0.773 295 S HN 0.429 nan 8.310 nan 0.000 0.507 296 G N 1.213 110.090 108.800 0.128 0.000 3.327 296 G HA2 0.440 4.400 3.960 0.000 0.000 0.240 296 G HA3 0.440 4.400 3.960 0.000 0.000 0.240 296 G C 0.162 175.021 174.900 -0.068 0.000 1.222 296 G CA 0.165 45.325 45.100 0.100 0.000 0.871 296 G HN 0.782 nan 8.290 nan 0.000 0.525 297 S N -0.996 114.610 115.700 -0.156 0.000 2.671 297 S HA 0.322 4.792 4.470 0.000 0.000 0.277 297 S C 0.320 174.866 174.600 -0.090 0.000 1.165 297 S CA -0.732 57.271 58.200 -0.328 0.000 0.822 297 S CB 1.265 63.871 63.200 -0.991 0.000 1.150 297 S HN 0.096 nan 8.310 nan 0.000 0.479 298 N N 0.193 118.893 118.700 -0.001 0.000 2.314 298 N HA 0.146 4.886 4.740 0.000 0.000 0.200 298 N C -0.024 175.539 175.510 0.087 0.000 1.135 298 N CA -0.207 52.872 53.050 0.049 0.000 0.835 298 N CB -0.347 38.173 38.487 0.055 0.000 0.989 298 N HN 0.679 nan 8.380 nan 0.000 0.478 299 I N 1.951 122.573 120.570 0.086 0.000 2.598 299 I HA -0.024 4.146 4.170 0.000 0.000 0.284 299 I C 0.361 176.561 176.117 0.137 0.000 1.140 299 I CA 0.037 61.420 61.300 0.139 0.000 1.420 299 I CB 0.354 38.422 38.000 0.114 0.000 1.387 299 I HN 0.109 nan 8.210 nan 0.000 0.553 300 K N 7.372 127.858 120.400 0.143 0.000 2.443 300 K HA 0.518 4.838 4.320 0.000 0.000 0.252 300 K C -1.285 175.405 176.600 0.150 0.000 0.933 300 K CA -0.891 55.458 56.287 0.103 0.000 0.792 300 K CB 1.836 34.356 32.500 0.035 0.000 1.185 300 K HN 0.522 nan 8.250 nan 0.000 0.425 301 Y N -0.498 119.840 120.300 0.064 0.000 2.587 301 Y HA 0.698 5.248 4.550 0.000 0.000 0.337 301 Y C -0.870 175.060 175.900 0.051 0.000 1.065 301 Y CA -0.986 57.153 58.100 0.065 0.000 1.126 301 Y CB 1.971 40.470 38.460 0.065 0.000 1.279 301 Y HN 0.684 nan 8.280 nan 0.000 0.489 302 S N 0.497 116.270 115.700 0.121 0.000 2.532 302 S HA 0.396 4.866 4.470 0.000 0.000 0.299 302 S C -0.911 173.815 174.600 0.210 0.000 1.105 302 S CA -0.788 57.418 58.200 0.010 0.000 1.018 302 S CB 0.889 64.099 63.200 0.017 0.000 1.021 302 S HN 0.848 nan 8.310 nan 0.000 0.483 303 T N 3.096 117.750 114.554 0.166 0.000 2.718 303 T HA 0.359 4.709 4.350 0.000 0.000 0.265 303 T C 1.545 176.418 174.700 0.289 0.000 1.014 303 T CA 1.444 63.698 62.100 0.257 0.000 1.172 303 T CB -0.527 68.432 68.868 0.152 0.000 1.007 303 T HN 1.846 nan 8.240 nan 0.000 0.500 304 G N 3.133 112.129 108.800 0.327 0.000 2.255 304 G HA2 -0.165 3.795 3.960 0.000 0.000 0.196 304 G HA3 -0.165 3.795 3.960 0.000 0.000 0.196 304 G C -0.009 174.947 174.900 0.093 0.000 0.998 304 G CA -0.226 45.093 45.100 0.366 0.000 0.656 304 G HN 0.653 nan 8.290 nan 0.000 0.490 305 D N 0.593 121.032 120.400 0.065 0.000 2.380 305 D HA 0.466 5.106 4.640 0.000 0.000 0.254 305 D C 0.268 176.395 176.300 -0.288 0.000 1.288 305 D CA 0.250 54.214 54.000 -0.060 0.000 1.008 305 D CB 0.260 41.139 40.800 0.132 0.000 1.099 305 D HN 0.361 nan 8.370 nan 0.000 0.537 306 H N -0.508 118.622 119.070 0.101 0.000 2.679 306 H HA 0.493 5.049 4.556 0.000 0.000 0.367 306 H C -0.814 174.526 175.328 0.020 0.000 1.162 306 H CA -0.684 55.400 56.048 0.061 0.000 1.181 306 H CB 1.840 31.667 29.762 0.107 0.000 1.693 306 H HN 0.081 nan 8.280 nan 0.000 0.538 307 L N 1.492 122.765 121.223 0.083 0.000 2.356 307 L HA 0.617 4.957 4.340 0.000 0.000 0.277 307 L C -0.549 176.198 176.870 -0.205 0.000 0.996 307 L CA -0.555 54.223 54.840 -0.105 0.000 0.822 307 L CB 1.262 43.191 42.059 -0.217 0.000 1.256 307 L HN 0.724 nan 8.230 nan 0.000 0.413 308 A N 5.020 127.561 122.820 -0.465 0.000 2.274 308 A HA 0.709 5.029 4.320 0.000 0.000 0.309 308 A C -0.987 176.375 177.584 -0.369 0.000 1.226 308 A CA -0.472 51.126 52.037 -0.732 0.000 0.853 308 A CB 0.768 18.950 19.000 -1.364 0.000 1.146 308 A HN 0.520 nan 8.150 nan 0.000 0.518 309 V N 2.869 122.651 119.914 -0.219 0.000 2.378 309 V HA 0.234 4.354 4.120 0.000 0.000 0.288 309 V C -1.086 175.034 176.094 0.043 0.000 1.016 309 V CA -0.538 61.720 62.300 -0.071 0.000 0.840 309 V CB 0.735 32.504 31.823 -0.089 0.000 0.994 309 V HN 0.872 nan 8.190 nan 0.000 0.431 310 W N 7.616 128.796 121.300 -0.201 0.000 2.437 310 W HA 0.452 5.112 4.660 0.000 0.000 0.312 310 W C -1.830 174.625 176.519 -0.107 0.000 1.242 310 W CA -2.127 55.148 57.345 -0.115 0.000 1.340 310 W CB -0.073 29.346 29.460 -0.069 0.000 1.327 310 W HN 0.336 nan 8.180 nan 0.000 0.476 311 P HA 0.433 nan 4.420 nan 0.000 0.284 311 P C -0.476 176.901 177.300 0.128 0.000 1.287 311 P CA -0.418 62.718 63.100 0.060 0.000 0.824 311 P CB 2.119 33.832 31.700 0.022 0.000 1.180 312 S N -0.420 115.356 115.700 0.127 0.000 2.709 312 S HA 0.507 4.977 4.470 0.000 0.000 0.302 312 S C -0.279 174.392 174.600 0.119 0.000 1.127 312 S CA -0.855 57.408 58.200 0.104 0.000 0.905 312 S CB 0.804 64.091 63.200 0.145 0.000 1.151 312 S HN 0.352 nan 8.310 nan 0.000 0.510 313 N N 1.344 120.017 118.700 -0.044 0.000 2.508 313 N HA 0.487 5.227 4.740 0.000 0.000 0.285 313 N C -2.884 172.477 175.510 -0.249 0.000 1.144 313 N CA -1.504 51.498 53.050 -0.080 0.000 0.978 313 N CB 0.641 39.025 38.487 -0.173 0.000 1.180 313 N HN 0.405 nan 8.380 nan 0.000 0.484 314 P HA 0.089 nan 4.420 nan 0.000 0.266 314 P C 0.950 177.933 177.300 -0.528 0.000 1.195 314 P CA -0.023 62.549 63.100 -0.879 0.000 0.768 314 P CB 0.729 32.045 31.700 -0.640 0.000 0.838 315 L N 2.192 123.058 121.223 -0.595 0.000 2.083 315 L HA -0.204 4.136 4.340 0.000 0.000 0.209 315 L C 2.224 178.920 176.870 -0.290 0.000 1.083 315 L CA 1.445 56.032 54.840 -0.421 0.000 0.752 315 L CB -0.841 40.897 42.059 -0.535 0.000 0.899 315 L HN 0.476 nan 8.230 nan 0.000 0.433 316 E N 0.422 120.445 120.200 -0.295 0.000 2.051 316 E HA -0.206 4.144 4.350 0.000 0.000 0.192 316 E C 1.921 178.461 176.600 -0.102 0.000 0.991 316 E CA 0.967 57.284 56.400 -0.139 0.000 0.799 316 E CB -0.399 29.246 29.700 -0.091 0.000 0.748 316 E HN 0.408 nan 8.360 nan 0.000 0.449 317 K N 1.149 121.471 120.400 -0.131 0.000 2.057 317 K HA -0.030 4.290 4.320 0.000 0.000 0.207 317 K C 2.473 179.055 176.600 -0.031 0.000 1.049 317 K CA 0.758 57.001 56.287 -0.074 0.000 0.931 317 K CB -0.921 31.517 32.500 -0.102 0.000 0.714 317 K HN 0.069 nan 8.250 nan 0.000 0.440 318 V N 1.674 121.537 119.914 -0.084 0.000 2.324 318 V HA -0.256 3.864 4.120 0.000 0.000 0.250 318 V C 2.506 178.630 176.094 0.050 0.000 1.060 318 V CA 2.132 64.408 62.300 -0.039 0.000 1.042 318 V CB -0.463 31.294 31.823 -0.109 0.000 0.650 318 V HN 0.326 nan 8.190 nan 0.000 0.450 319 E N 0.187 120.390 120.200 0.005 0.000 2.051 319 E HA -0.225 4.125 4.350 0.000 0.000 0.192 319 E C 2.243 178.872 176.600 0.047 0.000 0.991 319 E CA 1.584 57.997 56.400 0.023 0.000 0.799 319 E CB -0.320 29.377 29.700 -0.006 0.000 0.748 319 E HN 0.657 nan 8.360 nan 0.000 0.449 320 Q N -0.875 118.949 119.800 0.041 0.000 2.045 320 Q HA -0.195 4.145 4.340 0.000 0.000 0.206 320 Q C 2.052 178.096 176.000 0.074 0.000 0.991 320 Q CA 1.816 57.640 55.803 0.034 0.000 0.851 320 Q CB -0.396 28.358 28.738 0.026 0.000 0.911 320 Q HN 0.323 nan 8.270 nan 0.000 0.418 321 F N 1.095 121.044 119.950 -0.002 0.000 2.026 321 F HA -0.252 4.275 4.527 0.000 0.000 0.296 321 F C 1.966 177.855 175.800 0.148 0.000 1.133 321 F CA 1.471 59.520 58.000 0.082 0.000 1.188 321 F CB -0.419 38.629 39.000 0.080 0.000 0.968 321 F HN -0.006 nan 8.300 nan 0.000 0.476 322 L N -0.542 120.829 121.223 0.246 0.000 2.051 322 L HA -0.343 3.997 4.340 0.000 0.000 0.214 322 L C 2.747 179.646 176.870 0.049 0.000 1.076 322 L CA 1.772 56.694 54.840 0.137 0.000 0.758 322 L CB -1.091 41.044 42.059 0.127 0.000 0.890 322 L HN 0.354 nan 8.230 nan 0.000 0.433 323 S N 0.414 116.124 115.700 0.016 0.000 2.361 323 S HA -0.256 4.214 4.470 0.000 0.000 0.214 323 S C 1.998 176.549 174.600 -0.081 0.000 1.034 323 S CA 1.571 59.759 58.200 -0.020 0.000 1.025 323 S CB -0.436 62.749 63.200 -0.025 0.000 0.996 323 S HN 0.292 nan 8.310 nan 0.000 0.422 324 I N 0.658 121.115 120.570 -0.188 0.000 2.285 324 I HA -0.206 3.964 4.170 0.000 0.000 0.253 324 I C 1.459 177.313 176.117 -0.438 0.000 1.104 324 I CA 1.777 62.861 61.300 -0.360 0.000 1.372 324 I CB -0.497 37.124 38.000 -0.631 0.000 1.057 324 I HN 0.477 nan 8.210 nan 0.000 0.431 325 F N -0.405 119.457 119.950 -0.146 0.000 2.731 325 F HA 0.225 4.752 4.527 0.000 0.000 0.298 325 F C 1.074 176.841 175.800 -0.055 0.000 1.106 325 F CA 0.312 58.247 58.000 -0.108 0.000 1.329 325 F CB -0.237 38.601 39.000 -0.270 0.000 1.100 325 F HN 0.111 nan 8.300 nan 0.000 0.592 326 N N 1.764 120.517 118.700 0.089 0.000 2.699 326 N HA -0.206 4.534 4.740 0.000 0.000 0.257 326 N C -1.357 174.197 175.510 0.072 0.000 1.077 326 N CA 0.257 53.345 53.050 0.064 0.000 0.702 326 N CB -1.353 37.166 38.487 0.053 0.000 0.886 326 N HN 0.287 nan 8.380 nan 0.000 0.549 327 L N 0.713 121.982 121.223 0.075 0.000 2.305 327 L HA 0.354 4.694 4.340 0.000 0.000 0.284 327 L C 0.395 177.309 176.870 0.074 0.000 1.013 327 L CA -0.963 53.918 54.840 0.068 0.000 0.819 327 L CB 1.346 43.440 42.059 0.060 0.000 1.227 327 L HN 0.254 nan 8.230 nan 0.000 0.417 328 D N 5.389 125.833 120.400 0.073 0.000 2.371 328 D HA 0.096 4.736 4.640 0.000 0.000 0.256 328 D C -1.799 174.553 176.300 0.087 0.000 1.193 328 D CA -1.573 52.470 54.000 0.072 0.000 0.881 328 D CB 2.029 42.870 40.800 0.069 0.000 1.143 328 D HN 0.221 nan 8.370 nan 0.000 0.473 329 P HA -0.130 nan 4.420 nan 0.000 0.215 329 P C 0.679 178.024 177.300 0.075 0.000 1.153 329 P CA 1.256 64.399 63.100 0.073 0.000 0.853 329 P CB 0.252 31.980 31.700 0.047 0.000 0.788 330 E N -1.274 118.964 120.200 0.064 0.000 2.338 330 E HA -0.050 4.300 4.350 0.000 0.000 0.197 330 E C 0.200 176.848 176.600 0.079 0.000 1.007 330 E CA 0.467 56.901 56.400 0.057 0.000 0.849 330 E CB -0.817 28.909 29.700 0.044 0.000 0.774 330 E HN 0.209 nan 8.360 nan 0.000 0.506 331 T N 2.123 116.745 114.554 0.113 0.000 2.750 331 T HA -0.030 4.320 4.350 0.000 0.000 0.277 331 T C 0.303 175.116 174.700 0.189 0.000 0.996 331 T CA 0.522 62.716 62.100 0.155 0.000 1.195 331 T CB -0.005 68.982 68.868 0.199 0.000 0.963 331 T HN 0.051 nan 8.240 nan 0.000 0.516 332 I N 5.367 126.016 120.570 0.132 0.000 2.353 332 I HA 0.575 4.745 4.170 0.000 0.000 0.293 332 I C 0.020 176.198 176.117 0.102 0.000 0.992 332 I CA -0.810 60.531 61.300 0.068 0.000 1.268 332 I CB 0.780 38.782 38.000 0.003 0.000 1.387 332 I HN 0.608 nan 8.210 nan 0.000 0.478 333 F N 3.761 123.660 119.950 -0.086 0.000 2.664 333 F HA 0.803 5.330 4.527 0.000 0.000 0.317 333 F C -1.491 174.191 175.800 -0.197 0.000 1.108 333 F CA -0.990 56.853 58.000 -0.261 0.000 0.957 333 F CB 1.577 40.283 39.000 -0.491 0.000 1.365 333 F HN 0.307 nan 8.300 nan 0.000 0.475 334 D N 0.756 121.095 120.400 -0.102 0.000 2.661 334 D HA 0.585 5.225 4.640 0.000 0.000 0.228 334 D C -1.857 174.481 176.300 0.063 0.000 1.183 334 D CA -0.359 53.580 54.000 -0.102 0.000 0.844 334 D CB 2.368 43.116 40.800 -0.086 0.000 1.555 334 D HN 0.772 nan 8.370 nan 0.000 0.453 335 L N 2.684 123.934 121.223 0.044 0.000 2.319 335 L HA 0.476 4.817 4.340 0.000 0.000 0.281 335 L C -0.218 176.719 176.870 0.113 0.000 1.005 335 L CA -0.757 54.115 54.840 0.054 0.000 0.828 335 L CB 1.499 43.407 42.059 -0.251 0.000 1.227 335 L HN 0.194 nan 8.230 nan 0.000 0.415 336 K N 4.373 124.906 120.400 0.222 0.000 2.213 336 K HA 0.456 4.776 4.320 0.000 0.000 0.270 336 K C -2.559 174.230 176.600 0.315 0.000 1.002 336 K CA -1.847 54.566 56.287 0.209 0.000 0.868 336 K CB 1.534 34.115 32.500 0.135 0.000 1.093 336 K HN 0.168 nan 8.250 nan 0.000 0.454 337 P HA 0.052 nan 4.420 nan 0.000 0.271 337 P C 0.157 177.474 177.300 0.029 0.000 1.216 337 P CA -0.075 63.107 63.100 0.136 0.000 0.771 337 P CB 0.591 32.358 31.700 0.112 0.000 0.864 338 L N 1.596 122.778 121.223 -0.068 0.000 2.554 338 L HA 0.087 4.427 4.340 0.000 0.000 0.226 338 L C 0.427 177.277 176.870 -0.033 0.000 1.137 338 L CA 0.817 55.633 54.840 -0.041 0.000 0.863 338 L CB -0.645 41.373 42.059 -0.069 0.000 0.985 338 L HN 0.543 nan 8.230 nan 0.000 0.451 339 D N -4.298 116.079 120.400 -0.037 0.000 2.685 339 D HA 0.159 4.799 4.640 0.000 0.000 0.236 339 D C -2.450 173.848 176.300 -0.003 0.000 1.233 339 D CA -1.371 52.620 54.000 -0.016 0.000 0.760 339 D CB 1.165 41.953 40.800 -0.020 0.000 1.410 339 D HN -0.354 nan 8.370 nan 0.000 0.439 340 P HA -0.139 nan 4.420 nan 0.000 0.221 340 P C 1.128 178.453 177.300 0.041 0.000 1.141 340 P CA 1.853 64.969 63.100 0.026 0.000 0.794 340 P CB 0.002 31.718 31.700 0.026 0.000 0.764 341 T N -5.003 109.572 114.554 0.036 0.000 3.081 341 T HA 0.069 4.419 4.350 0.000 0.000 0.255 341 T C 0.615 175.346 174.700 0.051 0.000 1.113 341 T CA 0.038 62.175 62.100 0.061 0.000 1.082 341 T CB -0.666 68.229 68.868 0.045 0.000 0.939 341 T HN -0.192 nan 8.240 nan 0.000 0.506 342 V N 3.262 123.180 119.914 0.007 0.000 2.368 342 V HA 0.369 4.489 4.120 0.000 0.000 0.266 342 V C 0.011 176.143 176.094 0.063 0.000 1.045 342 V CA -0.961 61.321 62.300 -0.029 0.000 0.899 342 V CB 0.684 32.385 31.823 -0.204 0.000 1.006 342 V HN 0.287 nan 8.190 nan 0.000 0.470 343 K N 3.604 124.076 120.400 0.119 0.000 2.118 343 K HA 0.490 4.810 4.320 0.000 0.000 0.267 343 K C -0.507 176.236 176.600 0.238 0.000 0.991 343 K CA -0.636 55.737 56.287 0.143 0.000 0.916 343 K CB 2.063 34.629 32.500 0.109 0.000 1.041 343 K HN 0.391 nan 8.250 nan 0.000 0.455 344 V N 4.793 124.788 119.914 0.134 0.000 2.389 344 V HA 0.049 4.169 4.120 0.000 0.000 0.264 344 V C -1.337 174.586 176.094 -0.284 0.000 1.049 344 V CA -1.288 60.975 62.300 -0.063 0.000 0.932 344 V CB 0.740 32.480 31.823 -0.138 0.000 1.011 344 V HN 0.607 nan 8.190 nan 0.000 0.475 345 P HA -0.178 nan 4.420 nan 0.000 0.222 345 P C -0.093 176.927 177.300 -0.466 0.000 1.155 345 P CA 1.883 64.688 63.100 -0.492 0.000 0.890 345 P CB 0.011 31.310 31.700 -0.668 0.000 0.790 346 F N -7.172 112.634 119.950 -0.239 0.000 2.789 346 F HA 0.655 5.182 4.527 0.000 0.000 0.319 346 F C -3.151 172.423 175.800 -0.376 0.000 1.168 346 F CA -3.663 54.062 58.000 -0.458 0.000 0.934 346 F CB -0.677 37.699 39.000 -1.041 0.000 1.375 346 F HN -0.482 nan 8.300 nan 0.000 0.480 347 P HA 0.283 nan 4.420 nan 0.000 0.265 347 P C -0.654 176.683 177.300 0.061 0.000 1.193 347 P CA 0.295 63.386 63.100 -0.016 0.000 0.765 347 P CB 0.689 32.397 31.700 0.012 0.000 0.823 348 T N 0.550 115.093 114.554 -0.019 0.000 2.883 348 T HA 0.650 5.000 4.350 0.000 0.000 0.301 348 T C -2.842 171.805 174.700 -0.089 0.000 1.158 348 T CA -2.368 59.686 62.100 -0.076 0.000 1.007 348 T CB 1.180 69.983 68.868 -0.109 0.000 1.186 348 T HN -0.029 nan 8.240 nan 0.000 0.499 349 P HA 0.568 nan 4.420 nan 0.000 0.280 349 P C -0.222 176.920 177.300 -0.262 0.000 1.278 349 P CA -0.109 62.845 63.100 -0.244 0.000 0.787 349 P CB 0.391 31.975 31.700 -0.194 0.000 1.163 350 T N -2.832 111.462 114.554 -0.433 0.000 2.663 350 T HA 0.473 4.823 4.350 0.000 0.000 0.305 350 T C -1.430 173.079 174.700 -0.318 0.000 1.660 350 T CA -0.398 61.525 62.100 -0.295 0.000 0.976 350 T CB 0.185 68.953 68.868 -0.166 0.000 1.705 350 T HN 0.552 nan 8.240 nan 0.000 0.494 351 T N 0.205 114.693 114.554 -0.111 0.000 2.943 351 T HA 0.595 4.945 4.350 0.000 0.000 0.284 351 T C 1.737 176.548 174.700 0.185 0.000 1.015 351 T CA -0.793 61.328 62.100 0.033 0.000 1.042 351 T CB 0.719 69.601 68.868 0.024 0.000 1.055 351 T HN 0.537 nan 8.240 nan 0.000 0.500 352 I N 1.559 122.313 120.570 0.306 0.000 2.286 352 I HA -0.048 4.122 4.170 0.000 0.000 0.248 352 I C 2.746 178.956 176.117 0.155 0.000 1.115 352 I CA 1.652 63.139 61.300 0.311 0.000 1.392 352 I CB -0.809 37.328 38.000 0.228 0.000 1.065 352 I HN 0.961 nan 8.210 nan 0.000 0.418 353 G N 0.641 109.497 108.800 0.095 0.000 2.433 353 G HA2 -0.266 3.694 3.960 0.000 0.000 0.216 353 G HA3 -0.266 3.694 3.960 0.000 0.000 0.216 353 G C 1.884 176.763 174.900 -0.035 0.000 1.186 353 G CA 0.858 45.976 45.100 0.031 0.000 0.779 353 G HN 0.488 nan 8.290 nan 0.000 0.543 354 A N 1.139 123.939 122.820 -0.033 0.000 1.948 354 A HA 0.160 4.480 4.320 0.000 0.000 0.220 354 A C 2.809 180.228 177.584 -0.276 0.000 1.177 354 A CA 2.503 54.491 52.037 -0.081 0.000 0.636 354 A CB -0.793 18.149 19.000 -0.097 0.000 0.815 354 A HN 0.855 nan 8.150 nan 0.000 0.449 355 A N -0.068 122.636 122.820 -0.194 0.000 1.873 355 A HA -0.039 4.281 4.320 0.000 0.000 0.215 355 A C 1.954 179.395 177.584 -0.237 0.000 1.186 355 A CA 1.620 53.505 52.037 -0.254 0.000 0.616 355 A CB -0.465 18.511 19.000 -0.039 0.000 0.823 355 A HN 0.410 nan 8.150 nan 0.000 0.442 356 I N -0.004 120.475 120.570 -0.153 0.000 2.394 356 I HA -0.162 4.008 4.170 0.000 0.000 0.251 356 I C 2.278 178.224 176.117 -0.285 0.000 1.136 356 I CA 1.830 63.004 61.300 -0.211 0.000 1.425 356 I CB -1.084 36.885 38.000 -0.052 0.000 1.079 356 I HN 0.449 nan 8.210 nan 0.000 0.425 357 K N -0.480 119.723 120.400 -0.327 0.000 2.262 357 K HA -0.071 4.249 4.320 0.000 0.000 0.200 357 K C 1.776 177.977 176.600 -0.666 0.000 1.049 357 K CA 0.836 56.830 56.287 -0.489 0.000 0.979 357 K CB 0.237 32.393 32.500 -0.573 0.000 0.773 357 K HN 0.373 nan 8.250 nan 0.000 0.474 358 H N -2.147 116.712 119.070 -0.352 0.000 3.017 358 H HA 0.086 4.642 4.556 0.000 0.000 0.255 358 H C 0.815 175.998 175.328 -0.241 0.000 0.990 358 H CA 0.325 56.149 56.048 -0.373 0.000 1.205 358 H CB 0.458 29.830 29.762 -0.650 0.000 1.460 358 H HN 0.210 nan 8.280 nan 0.000 0.478 359 Y N 0.329 120.589 120.300 -0.067 0.000 2.558 359 Y HA 0.280 4.830 4.550 0.000 0.000 0.273 359 Y C 0.812 176.670 175.900 -0.069 0.000 1.100 359 Y CA -0.175 57.865 58.100 -0.101 0.000 1.276 359 Y CB 1.286 39.471 38.460 -0.457 0.000 1.196 359 Y HN -0.165 nan 8.280 nan 0.000 0.527 360 L N 1.180 122.396 121.223 -0.012 0.000 2.309 360 L HA 0.278 4.618 4.340 0.000 0.000 0.282 360 L C -0.065 176.718 176.870 -0.146 0.000 1.036 360 L CA -0.629 54.165 54.840 -0.076 0.000 0.806 360 L CB 1.461 43.418 42.059 -0.171 0.000 1.220 360 L HN -0.033 nan 8.230 nan 0.000 0.429 361 E N 2.763 122.895 120.200 -0.115 0.000 2.346 361 E HA 0.039 4.389 4.350 0.000 0.000 0.317 361 E C 1.275 177.783 176.600 -0.152 0.000 1.404 361 E CA -0.090 56.244 56.400 -0.111 0.000 1.534 361 E CB -0.270 29.387 29.700 -0.072 0.000 1.309 361 E HN 0.549 nan 8.360 nan 0.000 0.499 362 I N -1.126 119.284 120.570 -0.268 0.000 2.623 362 I HA -0.141 4.029 4.170 0.000 0.000 0.261 362 I C 0.735 176.784 176.117 -0.115 0.000 1.204 362 I CA 0.696 61.797 61.300 -0.333 0.000 1.444 362 I CB -0.835 36.770 38.000 -0.659 0.000 1.094 362 I HN 0.189 nan 8.210 nan 0.000 0.451 363 T N -0.693 113.812 114.554 -0.081 0.000 2.944 363 T HA 0.754 5.104 4.350 0.000 0.000 0.284 363 T C 0.181 174.883 174.700 0.003 0.000 1.010 363 T CA 0.046 62.134 62.100 -0.020 0.000 1.025 363 T CB 1.647 70.503 68.868 -0.020 0.000 1.079 363 T HN 0.865 nan 8.240 nan 0.000 0.516 364 G N 1.225 110.045 108.800 0.033 0.000 2.479 364 G HA2 0.169 4.129 3.960 0.000 0.000 0.686 364 G HA3 0.169 4.129 3.960 0.000 0.000 0.686 364 G C -3.220 171.707 174.900 0.045 0.000 1.295 364 G CA -1.139 43.987 45.100 0.043 0.000 0.922 364 G HN 0.816 nan 8.290 nan 0.000 0.582 365 P HA 0.331 nan 4.420 nan 0.000 0.262 365 P C 0.209 177.525 177.300 0.026 0.000 1.182 365 P CA -0.275 62.832 63.100 0.010 0.000 0.761 365 P CB 0.831 32.539 31.700 0.014 0.000 0.795 366 V N 3.747 123.671 119.914 0.016 0.000 2.461 366 V HA 0.118 4.238 4.120 0.000 0.000 0.275 366 V C 0.874 177.031 176.094 0.105 0.000 1.047 366 V CA -0.033 62.286 62.300 0.031 0.000 0.955 366 V CB 1.124 32.940 31.823 -0.011 0.000 0.988 366 V HN 0.583 nan 8.190 nan 0.000 0.471 367 S N 4.421 120.161 115.700 0.067 0.000 2.564 367 S HA 0.186 4.656 4.470 0.000 0.000 0.278 367 S C 1.299 175.853 174.600 -0.076 0.000 1.333 367 S CA -0.245 58.004 58.200 0.082 0.000 1.048 367 S CB 0.567 63.799 63.200 0.053 0.000 0.900 367 S HN 0.749 nan 8.310 nan 0.000 0.505 368 R N 1.688 122.014 120.500 -0.289 0.000 2.081 368 R HA -0.095 4.245 4.340 0.000 0.000 0.235 368 R C 2.202 178.361 176.300 -0.235 0.000 1.131 368 R CA 1.381 56.985 56.100 -0.827 0.000 0.960 368 R CB -0.238 29.565 30.300 -0.828 0.000 0.856 368 R HN 0.666 nan 8.270 nan 0.000 0.436 369 Q N 0.705 120.498 119.800 -0.012 0.000 2.152 369 Q HA -0.213 4.127 4.340 0.000 0.000 0.206 369 Q C 2.068 178.163 176.000 0.158 0.000 0.985 369 Q CA 1.377 57.256 55.803 0.126 0.000 0.863 369 Q CB -0.266 28.609 28.738 0.227 0.000 0.904 369 Q HN 0.436 nan 8.270 nan 0.000 0.422 370 L N -0.400 120.897 121.223 0.123 0.000 2.083 370 L HA -0.193 4.147 4.340 0.000 0.000 0.209 370 L C 2.089 179.203 176.870 0.407 0.000 1.083 370 L CA 0.909 55.877 54.840 0.213 0.000 0.752 370 L CB -0.239 41.907 42.059 0.144 0.000 0.899 370 L HN 0.147 nan 8.230 nan 0.000 0.433 371 F N -0.501 119.542 119.950 0.154 0.000 2.102 371 F HA -0.227 4.300 4.527 0.000 0.000 0.298 371 F C 3.048 178.948 175.800 0.167 0.000 1.105 371 F CA 1.425 59.530 58.000 0.175 0.000 1.239 371 F CB -1.292 37.793 39.000 0.142 0.000 0.991 371 F HN 0.128 nan 8.300 nan 0.000 0.474 372 S N -0.610 115.283 115.700 0.321 0.000 2.383 372 S HA -0.166 4.304 4.470 0.000 0.000 0.229 372 S C 2.267 176.997 174.600 0.215 0.000 1.030 372 S CA 1.774 60.098 58.200 0.207 0.000 1.002 372 S CB -0.324 62.966 63.200 0.149 0.000 0.829 372 S HN 0.319 nan 8.310 nan 0.000 0.467 373 S N 1.061 116.941 115.700 0.300 0.000 2.414 373 S HA 0.194 4.664 4.470 0.000 0.000 0.227 373 S C 1.646 176.459 174.600 0.355 0.000 1.022 373 S CA 0.673 59.099 58.200 0.377 0.000 0.958 373 S CB -0.276 63.267 63.200 0.570 0.000 0.797 373 S HN 0.467 nan 8.310 nan 0.000 0.493 374 L N 1.195 122.664 121.223 0.411 0.000 2.376 374 L HA 0.047 4.387 4.340 0.000 0.000 0.219 374 L C 1.859 178.916 176.870 0.311 0.000 1.133 374 L CA 0.408 55.509 54.840 0.436 0.000 0.816 374 L CB -0.560 41.806 42.059 0.511 0.000 0.933 374 L HN 0.306 nan 8.230 nan 0.000 0.449 375 I N -0.118 120.549 120.570 0.163 0.000 2.145 375 I HA -0.432 3.738 4.170 0.000 0.000 0.244 375 I C 2.675 178.725 176.117 -0.112 0.000 1.075 375 I CA 1.669 62.991 61.300 0.037 0.000 1.332 375 I CB -0.396 37.608 38.000 0.007 0.000 1.033 375 I HN 0.423 nan 8.210 nan 0.000 0.410 376 Q N 0.930 120.551 119.800 -0.297 0.000 2.173 376 Q HA -0.215 4.125 4.340 0.000 0.000 0.208 376 Q C 0.448 175.958 176.000 -0.816 0.000 0.989 376 Q CA 1.833 57.218 55.803 -0.696 0.000 0.872 376 Q CB -0.001 28.035 28.738 -1.171 0.000 0.909 376 Q HN 0.559 nan 8.270 nan 0.000 0.420 377 F N -0.109 119.780 119.950 -0.102 0.000 2.798 377 F HA 0.509 5.036 4.527 0.000 0.000 0.333 377 F C -0.157 175.597 175.800 -0.076 0.000 1.324 377 F CA -0.753 57.200 58.000 -0.078 0.000 1.183 377 F CB 0.187 39.142 39.000 -0.075 0.000 1.132 377 F HN -0.062 nan 8.300 nan 0.000 0.521 378 A N 1.014 123.783 122.820 -0.084 0.000 2.362 378 A HA 0.462 4.782 4.320 0.000 0.000 0.276 378 A C -1.348 175.968 177.584 -0.447 0.000 1.153 378 A CA -1.229 50.595 52.037 -0.355 0.000 0.813 378 A CB 0.404 19.257 19.000 -0.246 0.000 1.081 378 A HN 0.263 nan 8.150 nan 0.000 0.507 379 P HA -0.164 nan 4.420 nan 0.000 0.218 379 P C 0.063 177.162 177.300 -0.334 0.000 1.152 379 P CA 1.908 64.677 63.100 -0.551 0.000 0.857 379 P CB 0.022 31.246 31.700 -0.793 0.000 0.787 380 N N -4.688 113.819 118.700 -0.322 0.000 2.710 380 N HA 0.279 5.019 4.740 0.000 0.000 0.257 380 N C 0.437 175.839 175.510 -0.180 0.000 1.327 380 N CA -0.121 52.804 53.050 -0.208 0.000 0.861 380 N CB 0.898 39.279 38.487 -0.176 0.000 1.532 380 N HN -0.186 nan 8.380 nan 0.000 0.499 381 A N 0.495 123.237 122.820 -0.131 0.000 1.971 381 A HA -0.289 4.031 4.320 0.000 0.000 0.222 381 A C 1.616 179.140 177.584 -0.099 0.000 1.182 381 A CA 2.224 54.198 52.037 -0.105 0.000 0.649 381 A CB -0.720 18.232 19.000 -0.081 0.000 0.818 381 A HN 0.825 nan 8.150 nan 0.000 0.458 382 D N -0.476 119.863 120.400 -0.102 0.000 2.084 382 D HA -0.106 4.534 4.640 0.000 0.000 0.194 382 D C 2.073 178.315 176.300 -0.097 0.000 0.990 382 D CA 1.675 55.622 54.000 -0.088 0.000 0.826 382 D CB -0.100 40.648 40.800 -0.086 0.000 0.971 382 D HN 0.208 nan 8.370 nan 0.000 0.453 383 V N 1.321 121.150 119.914 -0.142 0.000 2.295 383 V HA -0.214 3.906 4.120 0.000 0.000 0.246 383 V C 2.649 178.669 176.094 -0.124 0.000 1.049 383 V CA 1.692 63.899 62.300 -0.155 0.000 1.024 383 V CB -0.524 31.110 31.823 -0.314 0.000 0.648 383 V HN 0.223 nan 8.190 nan 0.000 0.447 384 K N -0.038 120.274 120.400 -0.147 0.000 2.089 384 K HA -0.308 4.012 4.320 0.000 0.000 0.210 384 K C 2.192 178.759 176.600 -0.056 0.000 1.048 384 K CA 2.355 58.581 56.287 -0.101 0.000 0.926 384 K CB -0.143 32.292 32.500 -0.109 0.000 0.714 384 K HN 0.611 nan 8.250 nan 0.000 0.448 385 E N 0.453 120.620 120.200 -0.054 0.000 2.017 385 E HA -0.185 4.165 4.350 0.000 0.000 0.193 385 E C 1.914 178.509 176.600 -0.010 0.000 0.997 385 E CA 1.383 57.765 56.400 -0.029 0.000 0.804 385 E CB 0.140 29.821 29.700 -0.031 0.000 0.757 385 E HN 0.219 nan 8.360 nan 0.000 0.448 386 K N 0.511 120.902 120.400 -0.014 0.000 2.044 386 K HA -0.200 4.120 4.320 0.000 0.000 0.210 386 K C 2.381 178.993 176.600 0.020 0.000 1.049 386 K CA 1.185 57.479 56.287 0.011 0.000 0.927 386 K CB -0.396 32.104 32.500 0.001 0.000 0.713 386 K HN 0.260 nan 8.250 nan 0.000 0.443 387 L N 1.029 122.243 121.223 -0.016 0.000 1.970 387 L HA -0.238 4.102 4.340 0.000 0.000 0.212 387 L C 2.326 179.208 176.870 0.020 0.000 1.071 387 L CA 1.722 56.529 54.840 -0.056 0.000 0.751 387 L CB -0.635 41.413 42.059 -0.018 0.000 0.889 387 L HN 0.256 nan 8.230 nan 0.000 0.432 388 T N 0.269 114.838 114.554 0.026 0.000 2.778 388 T HA -0.268 4.082 4.350 0.000 0.000 0.269 388 T C 1.779 176.516 174.700 0.062 0.000 1.050 388 T CA 1.462 63.587 62.100 0.041 0.000 1.137 388 T CB -0.243 68.635 68.868 0.015 0.000 0.860 388 T HN 0.270 nan 8.240 nan 0.000 0.468 389 L N 0.096 121.358 121.223 0.066 0.000 2.007 389 L HA 0.014 4.354 4.340 0.000 0.000 0.205 389 L C 2.416 179.367 176.870 0.135 0.000 1.073 389 L CA 1.257 56.148 54.840 0.085 0.000 0.744 389 L CB -0.335 41.771 42.059 0.079 0.000 0.898 389 L HN 0.268 nan 8.230 nan 0.000 0.435 390 L N -0.228 121.109 121.223 0.189 0.000 2.013 390 L HA -0.280 4.060 4.340 0.000 0.000 0.212 390 L C 2.834 179.887 176.870 0.306 0.000 1.073 390 L CA 1.808 56.847 54.840 0.331 0.000 0.753 390 L CB -0.634 41.720 42.059 0.492 0.000 0.890 390 L HN 0.463 nan 8.230 nan 0.000 0.432 391 S N -0.774 115.084 115.700 0.263 0.000 2.440 391 S HA -0.221 4.249 4.470 0.000 0.000 0.240 391 S C 1.793 176.430 174.600 0.062 0.000 1.014 391 S CA 1.203 59.501 58.200 0.164 0.000 0.980 391 S CB -0.241 63.069 63.200 0.184 0.000 0.775 391 S HN 0.463 nan 8.310 nan 0.000 0.499 392 K N 0.677 121.127 120.400 0.084 0.000 2.214 392 K HA 0.150 4.470 4.320 0.000 0.000 0.201 392 K C 0.071 176.712 176.600 0.068 0.000 1.049 392 K CA 0.550 56.871 56.287 0.058 0.000 0.978 392 K CB -0.120 32.412 32.500 0.054 0.000 0.842 392 K HN 0.301 nan 8.250 nan 0.000 0.474 393 D N 2.095 122.559 120.400 0.107 0.000 2.352 393 D HA -0.001 4.639 4.640 0.000 0.000 0.245 393 D C 0.862 177.258 176.300 0.160 0.000 1.224 393 D CA 0.168 54.241 54.000 0.121 0.000 0.879 393 D CB 1.003 41.883 40.800 0.132 0.000 1.057 393 D HN -0.029 nan 8.370 nan 0.000 0.491 394 K N 3.284 123.758 120.400 0.124 0.000 2.000 394 K HA -0.227 4.093 4.320 0.000 0.000 0.218 394 K C 0.766 177.494 176.600 0.214 0.000 1.053 394 K CA 1.799 58.176 56.287 0.150 0.000 0.946 394 K CB 0.068 32.631 32.500 0.104 0.000 0.723 394 K HN 0.503 nan 8.250 nan 0.000 0.446 395 D N 0.146 120.636 120.400 0.150 0.000 2.078 395 D HA -0.222 4.418 4.640 0.000 0.000 0.193 395 D C 2.062 178.446 176.300 0.140 0.000 0.990 395 D CA 1.349 55.424 54.000 0.126 0.000 0.827 395 D CB -0.360 40.491 40.800 0.086 0.000 0.975 395 D HN 0.447 nan 8.370 nan 0.000 0.451 396 Q N -0.330 119.564 119.800 0.157 0.000 2.297 396 Q HA -0.184 4.156 4.340 0.000 0.000 0.208 396 Q C 2.002 178.133 176.000 0.218 0.000 0.981 396 Q CA 0.767 56.668 55.803 0.163 0.000 0.876 396 Q CB -0.194 28.643 28.738 0.166 0.000 0.921 396 Q HN 0.222 nan 8.270 nan 0.000 0.446 397 F N 0.338 120.361 119.950 0.121 0.000 2.113 397 F HA -0.074 4.453 4.527 0.000 0.000 0.297 397 F C 1.944 177.779 175.800 0.058 0.000 1.103 397 F CA 1.386 59.473 58.000 0.144 0.000 1.248 397 F CB -0.690 38.388 39.000 0.130 0.000 0.999 397 F HN 0.123 nan 8.300 nan 0.000 0.475 398 A N 0.270 123.062 122.820 -0.046 0.000 1.858 398 A HA -0.125 4.195 4.320 0.000 0.000 0.216 398 A C 2.319 179.770 177.584 -0.221 0.000 1.190 398 A CA 2.269 54.184 52.037 -0.202 0.000 0.617 398 A CB -1.442 17.535 19.000 -0.039 0.000 0.827 398 A HN 0.278 nan 8.150 nan 0.000 0.443 399 V N 0.203 120.064 119.914 -0.089 0.000 2.214 399 V HA -0.309 3.811 4.120 0.000 0.000 0.247 399 V C 2.392 178.416 176.094 -0.118 0.000 1.051 399 V CA 2.404 64.662 62.300 -0.070 0.000 1.003 399 V CB -1.056 30.776 31.823 0.015 0.000 0.635 399 V HN 0.643 nan 8.190 nan 0.000 0.447 400 E N -0.966 119.219 120.200 -0.026 0.000 2.268 400 E HA -0.130 4.220 4.350 0.000 0.000 0.195 400 E C 1.741 178.189 176.600 -0.253 0.000 0.995 400 E CA 1.063 57.475 56.400 0.021 0.000 0.836 400 E CB 0.086 29.987 29.700 0.335 0.000 0.763 400 E HN 0.529 nan 8.360 nan 0.000 0.491 401 I N -0.986 119.354 120.570 -0.383 0.000 3.623 401 I HA -0.042 4.128 4.170 0.000 0.000 0.253 401 I C 2.127 177.766 176.117 -0.797 0.000 1.144 401 I CA 0.624 61.587 61.300 -0.561 0.000 1.461 401 I CB -1.036 36.731 38.000 -0.388 0.000 1.575 401 I HN -0.070 nan 8.210 nan 0.000 0.445 402 T N 1.729 115.809 114.554 -0.789 0.000 2.708 402 T HA -0.120 4.230 4.350 0.000 0.000 0.266 402 T C 2.073 176.436 174.700 -0.562 0.000 1.037 402 T CA 2.173 63.901 62.100 -0.620 0.000 1.146 402 T CB -0.200 68.361 68.868 -0.512 0.000 0.865 402 T HN 0.203 nan 8.240 nan 0.000 0.435 403 S N 1.633 117.058 115.700 -0.459 0.000 2.370 403 S HA -0.117 4.353 4.470 0.000 0.000 0.226 403 S C 1.849 176.283 174.600 -0.277 0.000 1.033 403 S CA 1.192 59.189 58.200 -0.338 0.000 1.011 403 S CB -0.284 62.792 63.200 -0.207 0.000 0.852 403 S HN 0.530 nan 8.310 nan 0.000 0.457 404 K N 0.165 120.280 120.400 -0.474 0.000 2.555 404 K HA 0.072 4.392 4.320 0.000 0.000 0.193 404 K C -0.610 175.861 176.600 -0.215 0.000 1.032 404 K CA 0.072 56.079 56.287 -0.466 0.000 1.004 404 K CB -0.327 31.490 32.500 -1.139 0.000 0.804 404 K HN 0.306 nan 8.250 nan 0.000 0.496 405 Y N -0.908 119.168 120.300 -0.373 0.000 3.389 405 Y HA -0.266 4.284 4.550 0.000 0.000 0.213 405 Y C -0.297 175.600 175.900 -0.006 0.000 1.272 405 Y CA -0.058 57.956 58.100 -0.144 0.000 1.444 405 Y CB -2.956 35.485 38.460 -0.031 0.000 1.445 405 Y HN 0.071 nan 8.280 nan 0.000 0.583 406 F N 0.556 120.497 119.950 -0.015 0.000 2.459 406 F HA 0.157 4.684 4.527 0.000 0.000 0.346 406 F C 1.112 176.907 175.800 -0.007 0.000 1.128 406 F CA -0.458 57.527 58.000 -0.025 0.000 1.268 406 F CB 0.543 39.498 39.000 -0.074 0.000 1.161 406 F HN 0.130 nan 8.300 nan 0.000 0.583 407 N N 1.736 120.571 118.700 0.224 0.000 2.472 407 N HA 0.303 5.043 4.740 0.000 0.000 0.289 407 N C 1.085 176.675 175.510 0.133 0.000 1.156 407 N CA -0.867 52.265 53.050 0.136 0.000 0.940 407 N CB 1.880 40.426 38.487 0.099 0.000 1.200 407 N HN 0.536 nan 8.380 nan 0.000 0.511 408 I N 1.067 121.727 120.570 0.150 0.000 2.121 408 I HA -0.402 3.768 4.170 0.000 0.000 0.243 408 I C 2.394 178.548 176.117 0.063 0.000 1.047 408 I CA 1.689 63.093 61.300 0.173 0.000 1.308 408 I CB -0.459 37.731 38.000 0.318 0.000 1.015 408 I HN 0.671 nan 8.210 nan 0.000 0.410 409 A N 0.418 123.292 122.820 0.091 0.000 1.940 409 A HA -0.250 4.070 4.320 0.000 0.000 0.219 409 A C 1.934 179.422 177.584 -0.159 0.000 1.176 409 A CA 2.276 54.270 52.037 -0.071 0.000 0.631 409 A CB -0.583 18.442 19.000 0.042 0.000 0.814 409 A HN 0.488 nan 8.150 nan 0.000 0.446 410 D N 0.124 120.450 120.400 -0.123 0.000 2.085 410 D HA 0.001 4.641 4.640 0.000 0.000 0.199 410 D C 2.304 178.330 176.300 -0.456 0.000 0.981 410 D CA 1.427 55.232 54.000 -0.324 0.000 0.834 410 D CB -0.797 39.822 40.800 -0.302 0.000 0.992 410 D HN 0.402 nan 8.370 nan 0.000 0.457 411 A N 1.330 124.051 122.820 -0.166 0.000 1.948 411 A HA -0.173 4.147 4.320 0.000 0.000 0.220 411 A C 2.433 180.103 177.584 0.143 0.000 1.177 411 A CA 1.204 53.341 52.037 0.167 0.000 0.636 411 A CB -0.818 18.478 19.000 0.493 0.000 0.815 411 A HN 0.191 nan 8.150 nan 0.000 0.449 412 L N -1.574 119.577 121.223 -0.120 0.000 2.068 412 L HA -0.100 4.240 4.340 0.000 0.000 0.204 412 L C 2.589 179.408 176.870 -0.085 0.000 1.076 412 L CA 1.592 56.189 54.840 -0.404 0.000 0.753 412 L CB -0.597 40.753 42.059 -1.183 0.000 0.910 412 L HN 0.335 nan 8.230 nan 0.000 0.439 413 K N -0.487 119.825 120.400 -0.146 0.000 2.103 413 K HA -0.252 4.068 4.320 0.000 0.000 0.207 413 K C 2.174 178.792 176.600 0.030 0.000 1.048 413 K CA 1.619 57.880 56.287 -0.043 0.000 0.930 413 K CB -0.257 32.174 32.500 -0.114 0.000 0.716 413 K HN 0.104 nan 8.250 nan 0.000 0.444 414 Y N 1.643 121.842 120.300 -0.169 0.000 2.053 414 Y HA -0.285 4.265 4.550 0.000 0.000 0.277 414 Y C 1.701 177.617 175.900 0.026 0.000 1.159 414 Y CA 1.742 59.771 58.100 -0.118 0.000 1.125 414 Y CB -0.462 37.883 38.460 -0.192 0.000 0.969 414 Y HN -0.044 nan 8.280 nan 0.000 0.492 415 L N -0.260 121.040 121.223 0.129 0.000 2.012 415 L HA -0.224 4.116 4.340 0.000 0.000 0.210 415 L C 2.492 179.396 176.870 0.057 0.000 1.073 415 L CA 1.908 56.787 54.840 0.065 0.000 0.748 415 L CB -1.119 41.079 42.059 0.233 0.000 0.891 415 L HN 0.385 nan 8.230 nan 0.000 0.431 416 S N -2.267 113.557 115.700 0.207 0.000 2.607 416 S HA -0.091 4.379 4.470 0.000 0.000 0.224 416 S C 0.571 175.177 174.600 0.009 0.000 0.969 416 S CA 0.012 58.268 58.200 0.095 0.000 0.927 416 S CB -0.394 62.948 63.200 0.237 0.000 0.772 416 S HN 0.415 nan 8.310 nan 0.000 0.533 417 D N 1.382 121.773 120.400 -0.014 0.000 2.737 417 D HA -0.189 4.451 4.640 0.000 0.000 0.233 417 D C 1.005 177.294 176.300 -0.018 0.000 1.155 417 D CA 1.280 55.257 54.000 -0.038 0.000 0.667 417 D CB -1.688 39.076 40.800 -0.060 0.000 1.060 417 D HN 0.943 nan 8.370 nan 0.000 0.427 418 G N -1.268 107.536 108.800 0.006 0.000 2.157 418 G HA2 -0.315 3.645 3.960 0.000 0.000 0.248 418 G HA3 -0.315 3.645 3.960 0.000 0.000 0.248 418 G C 1.282 176.183 174.900 0.001 0.000 0.979 418 G CA 0.916 46.016 45.100 0.001 0.000 0.650 418 G HN 0.912 nan 8.290 nan 0.000 0.529 419 A N -0.353 122.465 122.820 -0.003 0.000 1.948 419 A HA 0.255 4.575 4.320 0.000 0.000 0.220 419 A C 1.406 178.965 177.584 -0.043 0.000 1.177 419 A CA 2.445 54.450 52.037 -0.052 0.000 0.636 419 A CB -0.220 18.698 19.000 -0.137 0.000 0.815 419 A HN 1.365 nan 8.150 nan 0.000 0.449 420 K N -3.321 117.102 120.400 0.038 0.000 4.754 420 K HA -0.110 4.210 4.320 0.000 0.000 0.933 420 K C -1.363 175.278 176.600 0.069 0.000 1.744 420 K CA 0.804 57.129 56.287 0.064 0.000 1.399 420 K CB -1.615 30.891 32.500 0.010 0.000 2.862 420 K HN 0.546 nan 8.250 nan 0.000 0.194 421 W N 3.254 124.464 121.300 -0.150 0.000 3.314 421 W HA 0.061 4.721 4.660 0.000 0.000 0.413 421 W C 0.481 177.040 176.519 0.065 0.000 1.007 421 W CA -0.308 57.009 57.345 -0.046 0.000 1.881 421 W CB -0.649 28.761 29.460 -0.084 0.000 0.928 421 W HN 0.408 nan 8.180 nan 0.000 0.818 422 D N -0.875 119.622 120.400 0.162 0.000 2.443 422 D HA 0.258 4.898 4.640 0.000 0.000 0.239 422 D C 1.109 177.467 176.300 0.096 0.000 1.136 422 D CA 1.201 55.272 54.000 0.117 0.000 0.879 422 D CB 0.724 41.558 40.800 0.056 0.000 1.195 422 D HN 0.123 nan 8.370 nan 0.000 0.443 423 T N -2.869 111.732 114.554 0.078 0.000 5.279 423 T HA -0.135 4.215 4.350 0.000 0.000 0.266 423 T C -0.064 174.669 174.700 0.055 0.000 2.220 423 T CA 0.031 62.178 62.100 0.079 0.000 3.808 423 T CB -2.348 66.577 68.868 0.095 0.000 0.179 423 T HN 0.448 nan 8.240 nan 0.000 0.894 424 V N 3.202 123.101 119.914 -0.025 0.000 2.311 424 V HA 0.533 4.653 4.120 0.000 0.000 0.275 424 V C -2.079 173.791 176.094 -0.374 0.000 1.022 424 V CA -1.790 60.307 62.300 -0.338 0.000 0.830 424 V CB 1.056 32.849 31.823 -0.050 0.000 1.012 424 V HN 0.218 nan 8.190 nan 0.000 0.452 425 P HA 0.099 nan 4.420 nan 0.000 0.266 425 P C 0.954 178.030 177.300 -0.374 0.000 1.195 425 P CA -0.156 62.727 63.100 -0.362 0.000 0.768 425 P CB 0.512 32.056 31.700 -0.260 0.000 0.838 426 M N 2.277 121.615 119.600 -0.436 0.000 2.117 426 M HA -0.168 4.312 4.480 0.000 0.000 0.262 426 M C 1.899 178.020 176.300 -0.299 0.000 1.065 426 M CA 1.922 56.995 55.300 -0.379 0.000 1.114 426 M CB -1.093 31.268 32.600 -0.399 0.000 1.361 426 M HN 0.447 nan 8.290 nan 0.000 0.408 427 Q N -1.466 118.153 119.800 -0.303 0.000 2.135 427 Q HA -0.228 4.112 4.340 0.000 0.000 0.204 427 Q C 2.081 178.095 176.000 0.024 0.000 0.981 427 Q CA 1.737 57.543 55.803 0.005 0.000 0.856 427 Q CB -1.491 27.360 28.738 0.188 0.000 0.902 427 Q HN 0.520 nan 8.270 nan 0.000 0.425 428 F N 1.733 121.458 119.950 -0.375 0.000 2.186 428 F HA -0.010 4.517 4.527 0.000 0.000 0.299 428 F C 1.990 177.507 175.800 -0.471 0.000 1.090 428 F CA 0.764 58.262 58.000 -0.837 0.000 1.307 428 F CB -0.106 38.179 39.000 -1.191 0.000 1.019 428 F HN -0.059 nan 8.300 nan 0.000 0.489 429 L N -0.796 120.164 121.223 -0.438 0.000 2.056 429 L HA -0.184 4.156 4.340 0.000 0.000 0.207 429 L C 2.378 179.107 176.870 -0.236 0.000 1.078 429 L CA 0.882 55.492 54.840 -0.383 0.000 0.749 429 L CB -0.756 41.118 42.059 -0.308 0.000 0.901 429 L HN 0.001 nan 8.230 nan 0.000 0.433 430 V N -0.240 119.599 119.914 -0.124 0.000 2.358 430 V HA -0.247 3.873 4.120 0.000 0.000 0.246 430 V C 2.160 178.250 176.094 -0.007 0.000 1.047 430 V CA 1.693 64.010 62.300 0.027 0.000 1.035 430 V CB -0.375 31.514 31.823 0.109 0.000 0.658 430 V HN 0.449 nan 8.190 nan 0.000 0.452 431 E N -0.545 119.634 120.200 -0.035 0.000 2.481 431 E HA -0.037 4.313 4.350 0.000 0.000 0.195 431 E C 2.022 178.526 176.600 -0.159 0.000 1.047 431 E CA 0.819 57.235 56.400 0.027 0.000 0.867 431 E CB 0.183 30.030 29.700 0.245 0.000 0.858 431 E HN 0.515 nan 8.360 nan 0.000 0.513 432 S N -0.206 115.261 115.700 -0.388 0.000 2.564 432 S HA 0.076 4.546 4.470 0.000 0.000 0.231 432 S C 0.616 175.052 174.600 -0.275 0.000 1.067 432 S CA -0.222 57.704 58.200 -0.458 0.000 0.908 432 S CB 0.929 63.513 63.200 -1.027 0.000 0.809 432 S HN -0.082 nan 8.310 nan 0.000 0.491 433 V N 4.636 124.420 119.914 -0.216 0.000 2.488 433 V HA 0.261 4.381 4.120 0.000 0.000 0.277 433 V C -2.391 173.640 176.094 -0.105 0.000 1.046 433 V CA -1.950 60.276 62.300 -0.123 0.000 0.986 433 V CB 0.430 32.204 31.823 -0.081 0.000 0.989 433 V HN 0.143 nan 8.190 nan 0.000 0.475 434 P HA -0.000 nan 4.420 nan 0.000 0.267 434 P C -0.463 176.798 177.300 -0.064 0.000 1.195 434 P CA 0.036 63.069 63.100 -0.112 0.000 0.773 434 P CB 0.310 31.934 31.700 -0.127 0.000 0.837 435 Q N 1.930 121.702 119.800 -0.046 0.000 2.288 435 Q HA 0.224 4.564 4.340 0.000 0.000 0.258 435 Q C 0.218 176.209 176.000 -0.013 0.000 0.957 435 Q CA -0.323 55.487 55.803 0.011 0.000 0.919 435 Q CB 0.748 29.497 28.738 0.020 0.000 1.185 435 Q HN 0.484 nan 8.270 nan 0.000 0.408 436 M N 1.801 121.408 119.600 0.012 0.000 2.247 436 M HA -0.017 4.463 4.480 0.000 0.000 0.318 436 M C -0.494 175.771 176.300 -0.059 0.000 1.054 436 M CA 1.141 56.431 55.300 -0.016 0.000 1.117 436 M CB 0.480 33.090 32.600 0.017 0.000 1.515 436 M HN 0.468 nan 8.290 nan 0.000 0.442 437 T N 4.628 119.121 114.554 -0.101 0.000 2.903 437 T HA 0.577 4.927 4.350 0.000 0.000 0.299 437 T C -2.687 171.861 174.700 -0.254 0.000 1.093 437 T CA -0.958 61.031 62.100 -0.185 0.000 1.002 437 T CB 1.839 70.639 68.868 -0.114 0.000 1.127 437 T HN 0.437 nan 8.240 nan 0.000 0.488 438 P HA 0.460 nan 4.420 nan 0.000 0.271 438 P C -0.736 176.311 177.300 -0.422 0.000 1.216 438 P CA -0.510 62.265 63.100 -0.543 0.000 0.776 438 P CB 0.540 31.718 31.700 -0.871 0.000 0.881 439 R N 2.204 122.497 120.500 -0.345 0.000 2.407 439 R HA 0.466 4.806 4.340 0.000 0.000 0.303 439 R C -0.610 175.338 176.300 -0.586 0.000 0.981 439 R CA -0.409 55.493 56.100 -0.329 0.000 0.905 439 R CB 0.176 30.359 30.300 -0.196 0.000 1.099 439 R HN 0.427 nan 8.270 nan 0.000 0.459 440 Y N 1.950 121.872 120.300 -0.630 0.000 2.352 440 Y HA 0.421 4.971 4.550 0.000 0.000 0.326 440 Y C -0.456 174.830 175.900 -1.024 0.000 1.166 440 Y CA -0.209 57.526 58.100 -0.607 0.000 1.182 440 Y CB 1.047 39.222 38.460 -0.475 0.000 1.216 440 Y HN 0.433 nan 8.280 nan 0.000 0.474 441 Y N -0.573 119.645 120.300 -0.136 0.000 2.421 441 Y HA 0.329 4.879 4.550 0.000 0.000 0.339 441 Y C -0.107 175.780 175.900 -0.021 0.000 0.996 441 Y CA -1.242 56.752 58.100 -0.177 0.000 1.046 441 Y CB 1.907 40.261 38.460 -0.177 0.000 1.226 441 Y HN 0.442 nan 8.280 nan 0.000 0.445 442 S N 3.875 119.640 115.700 0.108 0.000 2.515 442 S HA 0.242 4.712 4.470 0.000 0.000 0.285 442 S C 0.158 174.799 174.600 0.068 0.000 1.265 442 S CA -0.326 57.959 58.200 0.141 0.000 1.079 442 S CB -0.260 62.991 63.200 0.086 0.000 0.877 442 S HN 0.400 nan 8.310 nan 0.000 0.493 443 I N 3.299 123.872 120.570 0.004 0.000 2.556 443 I HA 0.016 4.186 4.170 0.000 0.000 0.284 443 I C 1.189 177.301 176.117 -0.009 0.000 1.114 443 I CA -0.009 61.264 61.300 -0.046 0.000 1.418 443 I CB 0.878 38.773 38.000 -0.176 0.000 1.394 443 I HN 0.696 nan 8.210 nan 0.000 0.552 444 S N 2.583 118.290 115.700 0.013 0.000 2.582 444 S HA 0.195 4.665 4.470 0.000 0.000 0.234 444 S C 0.335 174.903 174.600 -0.053 0.000 0.961 444 S CA -0.618 57.585 58.200 0.006 0.000 0.953 444 S CB -0.236 62.990 63.200 0.043 0.000 0.800 444 S HN 0.667 nan 8.310 nan 0.000 0.471 445 S N 0.754 116.402 115.700 -0.086 0.000 2.726 445 S HA 0.751 5.221 4.470 0.000 0.000 0.308 445 S C -0.382 174.215 174.600 -0.005 0.000 1.115 445 S CA -0.740 57.311 58.200 -0.248 0.000 0.965 445 S CB 1.520 64.400 63.200 -0.533 0.000 1.145 445 S HN 0.257 nan 8.310 nan 0.000 0.532 446 S N 0.443 116.126 115.700 -0.029 0.000 2.456 446 S HA 0.367 4.837 4.470 0.000 0.000 0.316 446 S C 1.121 175.751 174.600 0.051 0.000 1.089 446 S CA -0.189 58.036 58.200 0.041 0.000 1.101 446 S CB 0.625 63.794 63.200 -0.052 0.000 0.995 446 S HN 0.922 nan 8.310 nan 0.000 0.468 447 S N 5.220 120.902 115.700 -0.031 0.000 2.419 447 S HA -0.119 4.351 4.470 0.000 0.000 0.235 447 S C 1.721 176.200 174.600 -0.201 0.000 1.019 447 S CA 0.832 58.789 58.200 -0.405 0.000 0.982 447 S CB -0.635 62.144 63.200 -0.702 0.000 0.789 447 S HN 0.755 nan 8.310 nan 0.000 0.490 448 L N 1.006 122.163 121.223 -0.109 0.000 2.156 448 L HA -0.010 4.330 4.340 0.000 0.000 0.208 448 L C 1.779 178.622 176.870 -0.046 0.000 1.095 448 L CA 1.315 56.115 54.840 -0.067 0.000 0.770 448 L CB -0.204 41.835 42.059 -0.033 0.000 0.914 448 L HN 0.374 nan 8.230 nan 0.000 0.439 449 S N -1.215 114.460 115.700 -0.041 0.000 2.497 449 S HA 0.075 4.545 4.470 0.000 0.000 0.218 449 S C 1.344 175.944 174.600 -0.000 0.000 1.023 449 S CA -0.097 58.088 58.200 -0.025 0.000 0.913 449 S CB 0.303 63.479 63.200 -0.040 0.000 0.800 449 S HN 0.421 nan 8.310 nan 0.000 0.505 450 E N 1.382 121.590 120.200 0.013 0.000 2.228 450 E HA 0.230 4.580 4.350 0.000 0.000 0.197 450 E C 1.050 177.697 176.600 0.078 0.000 0.909 450 E CA 0.322 56.771 56.400 0.082 0.000 0.911 450 E CB -0.256 29.537 29.700 0.155 0.000 0.887 450 E HN 0.350 nan 8.360 nan 0.000 0.481 451 K N -0.120 120.273 120.400 -0.011 0.000 9.127 451 K HA -0.341 3.980 4.320 0.000 0.000 0.501 451 K C 1.185 177.814 176.600 0.048 0.000 0.371 451 K CA 2.424 58.665 56.287 -0.076 0.000 1.951 451 K CB -0.995 31.482 32.500 -0.039 0.000 0.721 451 K HN 0.153 nan 8.250 nan 0.000 1.023 452 Q N 0.056 119.932 119.800 0.127 0.000 2.179 452 Q HA 0.163 4.503 4.340 0.000 0.000 0.213 452 Q C -0.735 175.401 176.000 0.226 0.000 0.833 452 Q CA 0.264 56.169 55.803 0.169 0.000 0.990 452 Q CB 1.695 30.500 28.738 0.111 0.000 1.132 452 Q HN 0.229 nan 8.270 nan 0.000 0.493 453 T N 0.513 115.240 114.554 0.289 0.000 2.848 453 T HA 0.441 4.791 4.350 0.000 0.000 0.285 453 T C -0.632 174.263 174.700 0.325 0.000 0.995 453 T CA -0.425 61.844 62.100 0.282 0.000 0.970 453 T CB 2.451 71.481 68.868 0.269 0.000 0.976 453 T HN -0.191 nan 8.240 nan 0.000 0.441 454 V N 3.793 123.835 119.914 0.214 0.000 2.417 454 V HA 0.380 4.500 4.120 0.000 0.000 0.291 454 V C -0.772 175.457 176.094 0.227 0.000 1.024 454 V CA -0.855 61.467 62.300 0.036 0.000 0.861 454 V CB 1.155 32.850 31.823 -0.214 0.000 0.985 454 V HN 0.834 nan 8.190 nan 0.000 0.436 455 H N 2.915 121.930 119.070 -0.092 0.000 2.517 455 H HA 0.622 5.178 4.556 0.000 0.000 0.317 455 H C -0.376 174.883 175.328 -0.116 0.000 1.080 455 H CA -0.556 55.424 56.048 -0.113 0.000 1.301 455 H CB 1.616 31.353 29.762 -0.043 0.000 1.425 455 H HN 0.362 nan 8.280 nan 0.000 0.471 456 V N 3.617 123.491 119.914 -0.067 0.000 2.448 456 V HA 0.263 4.383 4.120 0.000 0.000 0.295 456 V C 0.109 176.159 176.094 -0.073 0.000 1.025 456 V CA -0.705 61.556 62.300 -0.064 0.000 0.859 456 V CB 1.913 33.672 31.823 -0.105 0.000 0.988 456 V HN 0.828 nan 8.190 nan 0.000 0.431 457 T N 3.268 117.853 114.554 0.051 0.000 3.149 457 T HA 0.255 4.605 4.350 0.000 0.000 0.373 457 T C 0.119 174.869 174.700 0.083 0.000 1.364 457 T CA -0.331 61.854 62.100 0.141 0.000 1.110 457 T CB 0.292 69.357 68.868 0.328 0.000 1.127 457 T HN 0.760 nan 8.240 nan 0.000 0.576 458 S N 3.285 118.957 115.700 -0.045 0.000 2.461 458 S HA 0.478 4.948 4.470 0.000 0.000 0.322 458 S C 0.109 174.684 174.600 -0.041 0.000 1.063 458 S CA -0.934 57.244 58.200 -0.036 0.000 1.120 458 S CB 0.319 63.365 63.200 -0.256 0.000 0.968 458 S HN 0.763 nan 8.310 nan 0.000 0.467 459 I N 4.777 125.367 120.570 0.032 0.000 2.581 459 I HA 0.154 4.324 4.170 0.000 0.000 0.285 459 I C -0.257 175.884 176.117 0.040 0.000 1.129 459 I CA -0.522 60.762 61.300 -0.028 0.000 1.397 459 I CB 0.387 38.458 38.000 0.118 0.000 1.399 459 I HN 0.492 nan 8.210 nan 0.000 0.537 460 V N 7.847 127.753 119.914 -0.013 0.000 2.617 460 V HA 0.003 4.123 4.120 0.000 0.000 0.304 460 V C 0.461 176.615 176.094 0.100 0.000 1.040 460 V CA -0.089 62.231 62.300 0.033 0.000 1.149 460 V CB 0.184 32.013 31.823 0.010 0.000 0.914 460 V HN 0.637 nan 8.190 nan 0.000 0.487 461 E N 4.603 124.866 120.200 0.106 0.000 2.046 461 E HA 0.359 4.709 4.350 0.000 0.000 0.279 461 E C -0.443 176.195 176.600 0.063 0.000 0.989 461 E CA -0.213 56.268 56.400 0.136 0.000 0.798 461 E CB 1.155 30.942 29.700 0.145 0.000 1.086 461 E HN 0.719 nan 8.360 nan 0.000 0.399 462 N N 3.707 122.451 118.700 0.074 0.000 2.976 462 N HA 0.110 4.850 4.740 0.000 0.000 0.249 462 N C -1.825 173.699 175.510 0.025 0.000 1.258 462 N CA -0.480 52.544 53.050 -0.043 0.000 0.864 462 N CB 0.059 38.545 38.487 0.000 0.000 1.551 462 N HN 0.224 nan 8.380 nan 0.000 0.607 463 F N 0.704 120.649 119.950 -0.009 0.000 2.593 463 F HA 0.885 5.412 4.527 0.000 0.000 0.320 463 F C -2.784 172.968 175.800 -0.080 0.000 1.060 463 F CA -2.701 55.280 58.000 -0.032 0.000 0.940 463 F CB 0.779 39.760 39.000 -0.032 0.000 1.268 463 F HN 0.083 nan 8.300 nan 0.000 0.475 464 P HA 0.049 nan 4.420 nan 0.000 0.271 464 P C -0.566 176.780 177.300 0.077 0.000 1.216 464 P CA -0.203 62.939 63.100 0.070 0.000 0.771 464 P CB 0.490 32.231 31.700 0.069 0.000 0.864 465 N N 4.696 123.364 118.700 -0.053 0.000 2.418 465 N HA -0.026 4.714 4.740 0.000 0.000 0.277 465 N C -1.453 174.043 175.510 -0.025 0.000 1.317 465 N CA -1.076 51.905 53.050 -0.115 0.000 0.922 465 N CB 0.153 38.596 38.487 -0.074 0.000 1.194 465 N HN 0.207 nan 8.380 nan 0.000 0.485 466 P HA -0.104 nan 4.420 nan 0.000 0.217 466 P C 0.507 177.840 177.300 0.056 0.000 1.148 466 P CA 1.212 64.337 63.100 0.042 0.000 0.828 466 P CB 0.531 32.282 31.700 0.085 0.000 0.783 467 E N -1.573 118.672 120.200 0.074 0.000 2.162 467 E HA 0.091 4.441 4.350 0.000 0.000 0.193 467 E C 0.166 176.795 176.600 0.049 0.000 0.953 467 E CA 0.596 57.030 56.400 0.057 0.000 0.849 467 E CB -0.391 29.336 29.700 0.045 0.000 0.810 467 E HN 0.073 nan 8.360 nan 0.000 0.470 468 L N 1.687 122.943 121.223 0.055 0.000 2.360 468 L HA 0.295 4.635 4.340 0.000 0.000 0.265 468 L C -1.946 174.952 176.870 0.048 0.000 1.066 468 L CA -1.504 53.376 54.840 0.065 0.000 0.929 468 L CB 1.097 43.218 42.059 0.102 0.000 1.306 468 L HN -0.064 nan 8.230 nan 0.000 0.434 469 P HA -0.243 nan 4.420 nan 0.000 0.217 469 P C 1.034 178.352 177.300 0.030 0.000 1.158 469 P CA 1.716 64.835 63.100 0.032 0.000 0.887 469 P CB 0.197 31.916 31.700 0.032 0.000 0.792 470 D N -0.032 120.390 120.400 0.037 0.000 2.078 470 D HA -0.108 4.532 4.640 0.000 0.000 0.193 470 D C 0.978 177.298 176.300 0.033 0.000 0.990 470 D CA 0.782 54.803 54.000 0.035 0.000 0.827 470 D CB -1.412 39.414 40.800 0.043 0.000 0.975 470 D HN 0.105 nan 8.370 nan 0.000 0.451 471 A N 2.389 125.237 122.820 0.046 0.000 2.615 471 A HA 0.143 4.463 4.320 0.000 0.000 0.230 471 A C -1.977 175.617 177.584 0.017 0.000 1.062 471 A CA -0.471 51.593 52.037 0.045 0.000 0.758 471 A CB -0.745 18.304 19.000 0.082 0.000 0.995 471 A HN 0.137 nan 8.150 nan 0.000 0.511 472 P HA 0.214 nan 4.420 nan 0.000 0.272 472 P C -2.341 174.928 177.300 -0.051 0.000 1.248 472 P CA -0.586 62.504 63.100 -0.016 0.000 0.799 472 P CB -0.305 31.386 31.700 -0.015 0.000 0.997 473 P HA 0.106 nan 4.420 nan 0.000 0.276 473 P C -0.990 176.157 177.300 -0.254 0.000 1.252 473 P CA -0.157 62.850 63.100 -0.156 0.000 0.802 473 P CB 0.372 32.000 31.700 -0.120 0.000 1.035 474 V N 2.428 122.033 119.914 -0.515 0.000 2.389 474 V HA 0.265 4.385 4.120 0.000 0.000 0.264 474 V C 0.545 176.285 176.094 -0.589 0.000 1.049 474 V CA -0.071 61.839 62.300 -0.650 0.000 0.932 474 V CB 0.308 31.357 31.823 -1.290 0.000 1.011 474 V HN 0.372 nan 8.190 nan 0.000 0.475 475 V N 2.592 122.342 119.914 -0.274 0.000 3.001 475 V HA 1.033 5.153 4.120 0.000 0.000 0.314 475 V C 0.343 176.406 176.094 -0.050 0.000 1.099 475 V CA -0.536 61.674 62.300 -0.150 0.000 0.989 475 V CB 1.826 33.606 31.823 -0.073 0.000 1.040 475 V HN 0.762 nan 8.190 nan 0.000 0.434 476 G N 0.554 109.361 108.800 0.011 0.000 2.412 476 G HA2 0.505 4.465 3.960 0.000 0.000 0.318 476 G HA3 0.505 4.465 3.960 0.000 0.000 0.318 476 G C 0.436 175.394 174.900 0.096 0.000 1.146 476 G CA -0.134 45.001 45.100 0.057 0.000 0.882 476 G HN 0.887 nan 8.290 nan 0.000 0.501 477 V N 1.158 121.134 119.914 0.104 0.000 2.255 477 V HA -0.133 3.987 4.120 0.000 0.000 0.243 477 V C 3.070 179.220 176.094 0.093 0.000 1.038 477 V CA 2.515 64.920 62.300 0.175 0.000 1.008 477 V CB -1.003 30.897 31.823 0.128 0.000 0.645 477 V HN 0.798 nan 8.190 nan 0.000 0.449 478 T N 0.531 115.103 114.554 0.031 0.000 2.674 478 T HA -0.220 4.130 4.350 0.000 0.000 0.265 478 T C 2.013 176.654 174.700 -0.099 0.000 1.039 478 T CA 2.297 64.373 62.100 -0.042 0.000 1.150 478 T CB -0.839 68.073 68.868 0.072 0.000 0.864 478 T HN 0.727 nan 8.240 nan 0.000 0.427 479 T N 2.013 116.561 114.554 -0.011 0.000 2.635 479 T HA -0.206 4.144 4.350 0.000 0.000 0.267 479 T C 1.920 176.574 174.700 -0.077 0.000 1.040 479 T CA 1.381 63.456 62.100 -0.041 0.000 1.156 479 T CB -0.683 68.204 68.868 0.033 0.000 0.863 479 T HN 0.272 nan 8.240 nan 0.000 0.430 480 N N 1.097 119.790 118.700 -0.012 0.000 2.223 480 N HA 0.013 4.753 4.740 0.000 0.000 0.185 480 N C 1.962 177.400 175.510 -0.120 0.000 1.016 480 N CA 0.935 54.008 53.050 0.038 0.000 0.863 480 N CB -0.312 38.297 38.487 0.204 0.000 0.983 480 N HN 0.399 nan 8.380 nan 0.000 0.429 481 L N 1.217 122.130 121.223 -0.515 0.000 1.994 481 L HA -0.132 4.208 4.340 0.000 0.000 0.208 481 L C 2.197 178.778 176.870 -0.483 0.000 1.071 481 L CA 1.046 55.223 54.840 -1.105 0.000 0.745 481 L CB -0.315 41.080 42.059 -1.108 0.000 0.892 481 L HN 0.128 nan 8.230 nan 0.000 0.431 482 L N -0.361 120.661 121.223 -0.335 0.000 2.042 482 L HA -0.289 4.051 4.340 0.000 0.000 0.210 482 L C 2.854 179.590 176.870 -0.223 0.000 1.076 482 L CA 1.584 56.265 54.840 -0.265 0.000 0.749 482 L CB -0.653 41.255 42.059 -0.253 0.000 0.893 482 L HN 0.362 nan 8.230 nan 0.000 0.432 483 R N 0.301 120.699 120.500 -0.170 0.000 2.096 483 R HA -0.199 4.141 4.340 0.000 0.000 0.235 483 R C 2.164 178.404 176.300 -0.100 0.000 1.127 483 R CA 1.676 57.705 56.100 -0.119 0.000 0.968 483 R CB -0.192 30.070 30.300 -0.063 0.000 0.861 483 R HN 0.309 nan 8.270 nan 0.000 0.440 484 N N 0.955 119.608 118.700 -0.078 0.000 2.120 484 N HA -0.143 4.597 4.740 0.000 0.000 0.188 484 N C 1.657 177.118 175.510 -0.082 0.000 1.024 484 N CA 1.534 54.579 53.050 -0.009 0.000 0.852 484 N CB -0.131 38.429 38.487 0.122 0.000 1.003 484 N HN 0.294 nan 8.380 nan 0.000 0.424 485 I N 0.154 120.624 120.570 -0.168 0.000 2.353 485 I HA -0.193 3.977 4.170 0.000 0.000 0.248 485 I C 2.503 178.383 176.117 -0.396 0.000 1.119 485 I CA 0.650 61.783 61.300 -0.280 0.000 1.417 485 I CB -0.380 37.451 38.000 -0.281 0.000 1.078 485 I HN 0.302 nan 8.210 nan 0.000 0.421 486 Q N 1.736 121.363 119.800 -0.288 0.000 2.002 486 Q HA -0.211 4.129 4.340 0.000 0.000 0.204 486 Q C 2.331 178.195 176.000 -0.225 0.000 0.988 486 Q CA 1.967 57.613 55.803 -0.261 0.000 0.843 486 Q CB -0.388 28.235 28.738 -0.191 0.000 0.908 486 Q HN 0.505 nan 8.270 nan 0.000 0.420 487 L N 0.406 121.535 121.223 -0.157 0.000 1.970 487 L HA -0.235 4.105 4.340 0.000 0.000 0.212 487 L C 2.744 179.538 176.870 -0.127 0.000 1.071 487 L CA 1.429 56.203 54.840 -0.109 0.000 0.751 487 L CB -1.022 41.000 42.059 -0.061 0.000 0.889 487 L HN 0.246 nan 8.230 nan 0.000 0.432 488 A N -0.228 122.506 122.820 -0.143 0.000 1.859 488 A HA -0.357 3.963 4.320 0.000 0.000 0.218 488 A C 2.264 179.727 177.584 -0.201 0.000 1.209 488 A CA 2.331 54.301 52.037 -0.111 0.000 0.639 488 A CB -0.955 18.017 19.000 -0.047 0.000 0.835 488 A HN 0.538 nan 8.150 nan 0.000 0.450 489 Q N -0.646 118.776 119.800 -0.630 0.000 2.248 489 Q HA -0.170 4.170 4.340 0.000 0.000 0.208 489 Q C 0.399 176.280 176.000 -0.199 0.000 0.984 489 Q CA 1.515 56.927 55.803 -0.652 0.000 0.875 489 Q CB -0.141 28.062 28.738 -0.892 0.000 0.910 489 Q HN 0.663 nan 8.270 nan 0.000 0.433 490 N N 0.956 119.555 118.700 -0.170 0.000 2.380 490 N HA 0.045 4.785 4.740 0.000 0.000 0.255 490 N C -0.760 174.719 175.510 -0.052 0.000 1.158 490 N CA 0.030 53.025 53.050 -0.092 0.000 0.878 490 N CB 0.431 38.859 38.487 -0.098 0.000 1.138 490 N HN 0.273 nan 8.380 nan 0.000 0.509 491 N N -0.356 118.327 118.700 -0.029 0.000 2.644 491 N HA -0.167 4.573 4.740 0.000 0.000 0.248 491 N C -0.243 175.258 175.510 -0.015 0.000 1.150 491 N CA 0.481 53.527 53.050 -0.006 0.000 0.727 491 N CB -1.522 36.967 38.487 0.002 0.000 1.091 491 N HN 0.090 nan 8.380 nan 0.000 0.556 492 V N 1.416 121.312 119.914 -0.030 0.000 2.572 492 V HA -0.009 4.111 4.120 0.000 0.000 0.291 492 V C 1.173 177.256 176.094 -0.019 0.000 1.039 492 V CA -0.420 61.864 62.300 -0.026 0.000 1.055 492 V CB 1.001 32.803 31.823 -0.036 0.000 0.969 492 V HN 0.270 nan 8.190 nan 0.000 0.482 493 N N 4.830 123.521 118.700 -0.014 0.000 2.410 493 N HA 0.072 4.812 4.740 0.000 0.000 0.281 493 N C 1.020 176.519 175.510 -0.017 0.000 1.241 493 N CA 0.208 53.250 53.050 -0.013 0.000 0.998 493 N CB -0.062 38.417 38.487 -0.012 0.000 1.376 493 N HN 0.647 nan 8.380 nan 0.000 0.490 494 I N 1.917 122.476 120.570 -0.019 0.000 2.236 494 I HA -0.373 3.797 4.170 0.000 0.000 0.249 494 I C 2.073 178.173 176.117 -0.029 0.000 1.102 494 I CA 1.331 62.618 61.300 -0.022 0.000 1.365 494 I CB -0.349 37.637 38.000 -0.024 0.000 1.051 494 I HN 0.619 nan 8.210 nan 0.000 0.420 495 A N 0.080 122.880 122.820 -0.035 0.000 2.131 495 A HA -0.193 4.127 4.320 0.000 0.000 0.220 495 A C 1.672 179.242 177.584 -0.023 0.000 1.158 495 A CA 1.523 53.538 52.037 -0.036 0.000 0.665 495 A CB -0.475 18.504 19.000 -0.035 0.000 0.795 495 A HN 0.538 nan 8.150 nan 0.000 0.460 496 E N -0.336 119.854 120.200 -0.016 0.000 2.609 496 E HA 0.187 4.538 4.350 0.000 0.000 0.208 496 E C -0.608 175.989 176.600 -0.006 0.000 1.013 496 E CA -0.159 56.236 56.400 -0.010 0.000 1.093 496 E CB 0.638 30.334 29.700 -0.008 0.000 1.129 496 E HN 0.435 nan 8.360 nan 0.000 0.450 497 T N -0.861 113.689 114.554 -0.006 0.000 2.883 497 T HA 0.231 4.581 4.350 0.000 0.000 0.284 497 T C 0.898 175.602 174.700 0.006 0.000 1.041 497 T CA -0.823 61.278 62.100 0.001 0.000 1.007 497 T CB 1.215 70.082 68.868 -0.001 0.000 1.220 497 T HN -0.021 nan 8.240 nan 0.000 0.552 498 N N 0.311 119.020 118.700 0.015 0.000 2.354 498 N HA 0.045 4.785 4.740 0.000 0.000 0.179 498 N C 0.690 176.213 175.510 0.022 0.000 1.021 498 N CA 0.068 53.130 53.050 0.020 0.000 0.887 498 N CB -0.104 38.402 38.487 0.031 0.000 0.974 498 N HN 0.457 nan 8.380 nan 0.000 0.437 499 L N 3.141 124.379 121.223 0.025 0.000 3.021 499 L HA -0.124 4.216 4.340 0.000 0.000 0.301 499 L C -1.279 175.615 176.870 0.041 0.000 1.011 499 L CA -0.256 54.609 54.840 0.041 0.000 0.978 499 L CB 0.366 42.452 42.059 0.044 0.000 1.479 499 L HN 0.008 nan 8.230 nan 0.000 0.457 500 P HA -0.023 nan 4.420 nan 0.000 0.229 500 P C -0.232 177.089 177.300 0.036 0.000 1.160 500 P CA 0.546 63.661 63.100 0.025 0.000 0.777 500 P CB 0.277 31.979 31.700 0.003 0.000 0.814 501 V N -4.975 114.980 119.914 0.067 0.000 3.226 501 V HA 0.638 4.758 4.120 0.000 0.000 0.304 501 V C -1.323 174.860 176.094 0.148 0.000 1.336 501 V CA -1.069 61.264 62.300 0.056 0.000 1.066 501 V CB 2.297 34.047 31.823 -0.121 0.000 1.087 501 V HN 0.130 nan 8.190 nan 0.000 0.451 502 H N -0.526 118.448 119.070 -0.161 0.000 2.949 502 H HA 0.790 5.346 4.556 0.000 0.000 0.356 502 H C -2.176 173.013 175.328 -0.231 0.000 1.212 502 H CA -0.970 55.063 56.048 -0.024 0.000 1.136 502 H CB 1.636 31.414 29.762 0.027 0.000 1.869 502 H HN 0.706 nan 8.280 nan 0.000 0.556 503 Y N -0.817 119.475 120.300 -0.012 0.000 2.633 503 Y HA 0.212 4.762 4.550 0.000 0.000 0.339 503 Y C 0.031 175.932 175.900 0.001 0.000 1.045 503 Y CA -1.177 56.885 58.100 -0.063 0.000 1.098 503 Y CB 1.048 39.498 38.460 -0.018 0.000 1.296 503 Y HN 0.667 nan 8.280 nan 0.000 0.494 504 D N 1.149 121.643 120.400 0.157 0.000 2.435 504 D HA 0.132 4.772 4.640 0.000 0.000 0.230 504 D C 0.199 176.621 176.300 0.203 0.000 1.215 504 D CA 0.261 54.341 54.000 0.133 0.000 0.947 504 D CB 0.029 40.876 40.800 0.078 0.000 1.048 504 D HN 0.582 nan 8.370 nan 0.000 0.512 505 L N 2.534 123.873 121.223 0.193 0.000 2.622 505 L HA 0.039 4.379 4.340 0.000 0.000 0.233 505 L C 1.551 178.526 176.870 0.174 0.000 1.156 505 L CA 0.068 55.029 54.840 0.202 0.000 0.866 505 L CB -0.346 41.842 42.059 0.215 0.000 0.980 505 L HN 0.387 nan 8.230 nan 0.000 0.448 506 N N 0.114 118.893 118.700 0.131 0.000 2.402 506 N HA 0.076 4.816 4.740 0.000 0.000 0.174 506 N C 1.141 176.670 175.510 0.032 0.000 1.027 506 N CA 0.977 54.064 53.050 0.062 0.000 0.891 506 N CB 0.660 39.153 38.487 0.008 0.000 1.016 506 N HN 0.345 nan 8.380 nan 0.000 0.439 507 G N 1.204 110.025 108.800 0.036 0.000 2.693 507 G HA2 -0.218 3.742 3.960 0.000 0.000 0.226 507 G HA3 -0.218 3.742 3.960 0.000 0.000 0.226 507 G C -2.882 171.734 174.900 -0.472 0.000 1.354 507 G CA -0.894 43.985 45.100 -0.368 0.000 0.873 507 G HN 0.064 nan 8.290 nan 0.000 0.562 508 P HA 0.445 nan 4.420 nan 0.000 0.276 508 P C 0.390 177.482 177.300 -0.347 0.000 1.253 508 P CA 0.105 62.901 63.100 -0.506 0.000 0.766 508 P CB 0.386 31.713 31.700 -0.620 0.000 0.845 509 R N 2.913 123.289 120.500 -0.207 0.000 3.627 509 R HA -0.252 4.088 4.340 0.000 0.000 0.281 509 R C -0.026 176.194 176.300 -0.133 0.000 1.140 509 R CA 0.588 56.606 56.100 -0.136 0.000 0.761 509 R CB -1.928 28.305 30.300 -0.111 0.000 1.181 509 R HN 0.550 nan 8.270 nan 0.000 0.472 510 K N -1.009 119.298 120.400 -0.156 0.000 3.035 510 K HA -0.236 4.084 4.320 0.000 0.000 0.262 510 K C 0.955 177.485 176.600 -0.117 0.000 1.024 510 K CA 0.970 57.187 56.287 -0.117 0.000 0.748 510 K CB -1.051 31.408 32.500 -0.068 0.000 1.247 510 K HN 0.460 nan 8.250 nan 0.000 0.482 511 L N -0.257 120.829 121.223 -0.229 0.000 2.291 511 L HA -0.009 4.331 4.340 0.000 0.000 0.214 511 L C 1.098 177.999 176.870 0.051 0.000 1.120 511 L CA 1.096 55.847 54.840 -0.149 0.000 0.799 511 L CB 0.062 41.953 42.059 -0.281 0.000 0.925 511 L HN 0.268 nan 8.230 nan 0.000 0.446 512 F N 0.430 120.331 119.950 -0.082 0.000 2.949 512 F HA 0.205 4.732 4.527 0.000 0.000 0.291 512 F C 1.484 177.234 175.800 -0.083 0.000 1.214 512 F CA -0.799 57.151 58.000 -0.083 0.000 1.381 512 F CB -0.228 38.737 39.000 -0.059 0.000 1.066 512 F HN 0.052 nan 8.300 nan 0.000 0.520 513 A N 1.854 124.723 122.820 0.081 0.000 3.721 513 A HA -0.266 4.054 4.320 0.000 0.000 0.281 513 A C 0.622 178.144 177.584 -0.103 0.000 2.254 513 A CA 0.804 52.830 52.037 -0.018 0.000 1.426 513 A CB -1.653 17.338 19.000 -0.014 0.000 0.653 513 A HN 0.867 nan 8.150 nan 0.000 0.500 514 N N -0.118 118.496 118.700 -0.144 0.000 2.492 514 N HA -0.218 4.522 4.740 0.000 0.000 0.297 514 N C -0.686 174.573 175.510 -0.417 0.000 1.456 514 N CA 1.249 54.051 53.050 -0.414 0.000 0.683 514 N CB -0.738 37.332 38.487 -0.696 0.000 1.007 514 N HN 0.810 nan 8.380 nan 0.000 0.478 515 Y N -1.213 119.056 120.300 -0.052 0.000 3.081 515 Y HA -0.286 4.264 4.550 0.000 0.000 0.167 515 Y C -0.022 175.785 175.900 -0.154 0.000 1.809 515 Y CA 0.038 58.063 58.100 -0.125 0.000 1.121 515 Y CB -1.242 37.138 38.460 -0.133 0.000 1.518 515 Y HN 0.430 nan 8.280 nan 0.000 0.409 516 K N 1.384 121.771 120.400 -0.021 0.000 2.546 516 K HA 0.871 5.191 4.320 0.000 0.000 0.264 516 K C -1.065 175.350 176.600 -0.310 0.000 0.937 516 K CA -0.950 55.264 56.287 -0.122 0.000 0.833 516 K CB 2.748 35.212 32.500 -0.060 0.000 1.378 516 K HN 0.185 nan 8.250 nan 0.000 0.432 517 L N 1.746 122.754 121.223 -0.358 0.000 2.556 517 L HA 0.410 4.750 4.340 0.000 0.000 0.257 517 L C -2.721 173.844 176.870 -0.509 0.000 0.955 517 L CA -2.210 52.284 54.840 -0.578 0.000 0.850 517 L CB 2.706 44.605 42.059 -0.267 0.000 1.398 517 L HN 0.359 nan 8.230 nan 0.000 0.412 518 P HA 0.144 nan 4.420 nan 0.000 0.267 518 P C -1.112 175.888 177.300 -0.499 0.000 1.209 518 P CA -0.073 62.652 63.100 -0.626 0.000 0.763 518 P CB 0.762 32.027 31.700 -0.726 0.000 0.816 519 V N 1.071 120.713 119.914 -0.453 0.000 3.206 519 V HA 0.817 4.937 4.120 0.000 0.000 0.305 519 V C -1.135 174.939 176.094 -0.034 0.000 1.257 519 V CA -0.791 61.358 62.300 -0.252 0.000 1.057 519 V CB 2.534 34.079 31.823 -0.463 0.000 1.075 519 V HN 0.788 nan 8.190 nan 0.000 0.443 520 H N -0.496 118.584 119.070 0.016 0.000 3.112 520 H HA 0.680 5.236 4.556 0.000 0.000 0.347 520 H C -2.180 173.206 175.328 0.096 0.000 1.188 520 H CA -0.713 55.405 56.048 0.117 0.000 1.240 520 H CB 1.732 31.660 29.762 0.277 0.000 1.920 520 H HN 0.641 nan 8.280 nan 0.000 0.535 521 V N 3.467 123.551 119.914 0.283 0.000 2.406 521 V HA 0.236 4.356 4.120 0.000 0.000 0.272 521 V C 0.782 177.081 176.094 0.341 0.000 1.043 521 V CA -0.473 61.960 62.300 0.222 0.000 0.915 521 V CB 0.824 32.771 31.823 0.207 0.000 0.988 521 V HN 0.673 nan 8.190 nan 0.000 0.466 522 R N 5.349 126.044 120.500 0.324 0.000 2.204 522 R HA 0.365 4.705 4.340 0.000 0.000 0.341 522 R C 0.310 176.777 176.300 0.277 0.000 1.035 522 R CA -0.693 55.623 56.100 0.359 0.000 0.887 522 R CB 0.475 31.042 30.300 0.446 0.000 1.114 522 R HN 0.771 nan 8.270 nan 0.000 0.473 523 R N 2.388 123.024 120.500 0.226 0.000 2.640 523 R HA -0.024 4.316 4.340 0.000 0.000 0.270 523 R C -0.426 175.987 176.300 0.188 0.000 1.024 523 R CA 0.703 56.913 56.100 0.184 0.000 1.085 523 R CB 0.529 30.921 30.300 0.154 0.000 0.963 523 R HN 0.855 nan 8.270 nan 0.000 0.426 524 S N 1.583 117.384 115.700 0.168 0.000 2.971 524 S HA 0.377 4.847 4.470 0.000 0.000 0.320 524 S C -0.026 174.695 174.600 0.202 0.000 1.111 524 S CA -0.966 57.350 58.200 0.194 0.000 0.870 524 S CB 1.423 64.710 63.200 0.146 0.000 1.331 524 S HN 0.713 nan 8.310 nan 0.000 0.635 525 N N -0.866 117.990 118.700 0.259 0.000 2.332 525 N HA 0.241 4.981 4.740 0.000 0.000 0.190 525 N C -0.696 175.040 175.510 0.377 0.000 1.117 525 N CA 0.033 53.244 53.050 0.268 0.000 0.883 525 N CB -0.133 38.501 38.487 0.246 0.000 1.089 525 N HN 0.509 nan 8.380 nan 0.000 0.480 526 F N 3.954 124.055 119.950 0.252 0.000 2.452 526 F HA -0.021 4.506 4.527 0.000 0.000 0.358 526 F C 0.500 176.553 175.800 0.421 0.000 1.141 526 F CA 0.512 58.748 58.000 0.392 0.000 1.004 526 F CB -0.148 39.050 39.000 0.330 0.000 1.046 526 F HN -0.251 nan 8.300 nan 0.000 0.575 527 R N 5.033 125.738 120.500 0.343 0.000 2.673 527 R HA 0.407 4.747 4.340 0.000 0.000 0.281 527 R C -0.829 175.424 176.300 -0.078 0.000 0.991 527 R CA -1.177 54.985 56.100 0.102 0.000 0.896 527 R CB 1.829 32.169 30.300 0.067 0.000 1.201 527 R HN 0.475 nan 8.270 nan 0.000 0.457 528 L N 3.048 123.942 121.223 -0.548 0.000 2.467 528 L HA 0.221 4.561 4.340 0.000 0.000 0.270 528 L C -1.707 174.898 176.870 -0.442 0.000 1.205 528 L CA -1.483 52.950 54.840 -0.678 0.000 0.828 528 L CB 0.245 41.790 42.059 -0.856 0.000 1.101 528 L HN 0.214 nan 8.230 nan 0.000 0.479 529 P HA 0.030 nan 4.420 nan 0.000 0.267 529 P C 0.164 177.232 177.300 -0.386 0.000 1.200 529 P CA 0.032 62.701 63.100 -0.718 0.000 0.772 529 P CB 0.675 31.831 31.700 -0.907 0.000 0.855 530 S N 0.699 116.239 115.700 -0.266 0.000 2.359 530 S HA -0.160 4.310 4.470 0.000 0.000 0.224 530 S C 0.920 175.438 174.600 -0.137 0.000 1.035 530 S CA 1.014 59.123 58.200 -0.152 0.000 1.018 530 S CB -0.688 62.467 63.200 -0.075 0.000 0.876 530 S HN 0.636 nan 8.310 nan 0.000 0.448 531 N N 2.062 120.688 118.700 -0.123 0.000 2.406 531 N HA 0.118 4.858 4.740 0.000 0.000 0.251 531 N C -2.504 172.930 175.510 -0.125 0.000 1.069 531 N CA -1.802 51.198 53.050 -0.084 0.000 0.947 531 N CB 1.254 39.722 38.487 -0.031 0.000 1.111 531 N HN -0.062 nan 8.380 nan 0.000 0.497 532 P HA -0.075 nan 4.420 nan 0.000 0.226 532 P C 0.471 177.730 177.300 -0.067 0.000 1.146 532 P CA 0.983 63.966 63.100 -0.195 0.000 0.773 532 P CB 0.331 31.861 31.700 -0.283 0.000 0.772 533 S N -2.309 113.371 115.700 -0.033 0.000 2.478 533 S HA 0.009 4.479 4.470 0.000 0.000 0.222 533 S C 0.857 175.449 174.600 -0.014 0.000 1.008 533 S CA 0.522 58.722 58.200 0.001 0.000 0.928 533 S CB -0.742 62.468 63.200 0.017 0.000 0.781 533 S HN 0.196 nan 8.310 nan 0.000 0.518 534 T N 4.819 119.351 114.554 -0.037 0.000 2.867 534 T HA 0.188 4.538 4.350 0.000 0.000 0.297 534 T C -2.478 172.176 174.700 -0.076 0.000 0.989 534 T CA -0.834 61.258 62.100 -0.013 0.000 1.159 534 T CB 0.457 69.331 68.868 0.009 0.000 0.928 534 T HN 0.076 nan 8.240 nan 0.000 0.538 535 P HA 0.288 nan 4.420 nan 0.000 0.269 535 P C -0.855 176.387 177.300 -0.096 0.000 1.215 535 P CA -0.373 62.673 63.100 -0.090 0.000 0.780 535 P CB 0.547 32.241 31.700 -0.009 0.000 0.898 536 V N 3.199 122.987 119.914 -0.210 0.000 2.876 536 V HA 0.496 4.616 4.120 0.000 0.000 0.312 536 V C -0.085 176.044 176.094 0.058 0.000 1.085 536 V CA -0.525 61.739 62.300 -0.059 0.000 0.945 536 V CB 2.085 33.747 31.823 -0.269 0.000 1.017 536 V HN 0.354 nan 8.190 nan 0.000 0.428 537 I N 3.978 124.651 120.570 0.172 0.000 2.478 537 I HA 0.518 4.688 4.170 0.000 0.000 0.287 537 I C -0.895 175.280 176.117 0.097 0.000 1.042 537 I CA -0.336 61.041 61.300 0.129 0.000 1.067 537 I CB 2.002 40.047 38.000 0.075 0.000 1.233 537 I HN 0.456 nan 8.210 nan 0.000 0.431 538 M N 7.178 126.721 119.600 -0.094 0.000 2.311 538 M HA 0.583 5.063 4.480 0.000 0.000 0.325 538 M C -0.896 175.220 176.300 -0.306 0.000 1.061 538 M CA -0.246 54.676 55.300 -0.629 0.000 0.957 538 M CB 2.511 34.321 32.600 -1.317 0.000 1.646 538 M HN 0.350 nan 8.290 nan 0.000 0.434 539 I N 2.250 122.773 120.570 -0.077 0.000 2.448 539 I HA 0.609 4.779 4.170 0.000 0.000 0.281 539 I C -0.129 176.321 176.117 0.555 0.000 1.027 539 I CA -0.514 60.918 61.300 0.221 0.000 1.111 539 I CB 1.817 39.895 38.000 0.129 0.000 1.236 539 I HN 0.877 nan 8.210 nan 0.000 0.452 540 G N 6.903 116.025 108.800 0.537 0.000 2.824 540 G HA2 0.546 4.506 3.960 0.000 0.000 0.288 540 G HA3 0.546 4.506 3.960 0.000 0.000 0.288 540 G C -3.234 171.840 174.900 0.290 0.000 1.554 540 G CA -1.097 44.304 45.100 0.501 0.000 1.107 540 G HN 0.186 nan 8.290 nan 0.000 0.566 541 P HA 0.444 nan 4.420 nan 0.000 0.280 541 P C 1.092 178.390 177.300 -0.004 0.000 1.244 541 P CA 1.078 64.130 63.100 -0.080 0.000 0.784 541 P CB 1.637 33.225 31.700 -0.186 0.000 0.913 542 G N 2.990 111.771 108.800 -0.032 0.000 2.564 542 G HA2 -0.329 3.631 3.960 0.000 0.000 0.273 542 G HA3 -0.329 3.631 3.960 0.000 0.000 0.273 542 G C 1.169 176.309 174.900 0.401 0.000 1.242 542 G CA 0.622 45.838 45.100 0.194 0.000 0.951 542 G HN 0.595 nan 8.290 nan 0.000 0.564 543 T N -0.965 113.827 114.554 0.396 0.000 3.026 543 T HA 0.125 4.475 4.350 0.000 0.000 0.271 543 T C 2.357 177.293 174.700 0.392 0.000 1.149 543 T CA 1.669 64.028 62.100 0.432 0.000 1.088 543 T CB -0.631 68.508 68.868 0.453 0.000 0.857 543 T HN 1.924 nan 8.240 nan 0.000 0.551 544 G N 1.369 110.352 108.800 0.306 0.000 2.586 544 G HA2 -0.024 3.936 3.960 0.000 0.000 0.215 544 G HA3 -0.024 3.936 3.960 0.000 0.000 0.215 544 G C 1.450 176.424 174.900 0.123 0.000 1.128 544 G CA 0.761 45.980 45.100 0.197 0.000 0.774 544 G HN 0.655 nan 8.290 nan 0.000 0.543 545 V N -1.139 118.955 119.914 0.299 0.000 2.871 545 V HA 0.189 4.309 4.120 0.000 0.000 0.256 545 V C 2.960 179.155 176.094 0.168 0.000 1.082 545 V CA 0.899 63.405 62.300 0.344 0.000 1.105 545 V CB -0.856 31.268 31.823 0.502 0.000 0.713 545 V HN 0.345 nan 8.190 nan 0.000 0.473 546 A N 1.642 124.555 122.820 0.155 0.000 1.906 546 A HA -0.248 4.073 4.320 0.000 0.000 0.222 546 A C 0.728 178.287 177.584 -0.042 0.000 1.282 546 A CA 2.918 55.009 52.037 0.091 0.000 0.675 546 A CB -2.236 16.838 19.000 0.124 0.000 0.838 546 A HN 0.581 nan 8.150 nan 0.000 0.469 547 P HA -0.173 nan 4.420 nan 0.000 0.215 547 P C 1.247 178.346 177.300 -0.334 0.000 1.157 547 P CA 1.511 64.414 63.100 -0.329 0.000 0.874 547 P CB -0.288 31.075 31.700 -0.562 0.000 0.790 548 F N -0.975 118.867 119.950 -0.179 0.000 2.333 548 F HA -0.108 4.419 4.527 0.000 0.000 0.300 548 F C 2.684 178.551 175.800 0.113 0.000 1.083 548 F CA 0.289 58.229 58.000 -0.100 0.000 1.395 548 F CB -0.383 38.648 39.000 0.052 0.000 1.056 548 F HN -0.150 nan 8.300 nan 0.000 0.529 549 R N 1.028 121.668 120.500 0.233 0.000 2.073 549 R HA -0.057 4.283 4.340 0.000 0.000 0.229 549 R C 2.466 178.719 176.300 -0.077 0.000 1.120 549 R CA 1.302 57.421 56.100 0.033 0.000 0.967 549 R CB -0.704 29.479 30.300 -0.194 0.000 0.862 549 R HN 0.270 nan 8.270 nan 0.000 0.436 550 G N 0.242 109.046 108.800 0.007 0.000 2.402 550 G HA2 -0.220 3.740 3.960 0.000 0.000 0.216 550 G HA3 -0.220 3.740 3.960 0.000 0.000 0.216 550 G C 1.081 176.073 174.900 0.153 0.000 1.162 550 G CA 0.296 45.423 45.100 0.045 0.000 0.777 550 G HN 0.207 nan 8.290 nan 0.000 0.539 551 F N 1.162 121.099 119.950 -0.021 0.000 2.065 551 F HA -0.015 4.512 4.527 0.000 0.000 0.298 551 F C 2.708 178.402 175.800 -0.177 0.000 1.112 551 F CA 0.504 58.465 58.000 -0.065 0.000 1.212 551 F CB -0.796 38.210 39.000 0.010 0.000 0.975 551 F HN 0.057 nan 8.300 nan 0.000 0.476 552 I N -0.640 119.930 120.570 0.000 0.000 2.226 552 I HA -0.306 3.864 4.170 0.000 0.000 0.245 552 I C 2.559 178.396 176.117 -0.468 0.000 1.100 552 I CA 1.168 62.276 61.300 -0.321 0.000 1.374 552 I CB -0.402 37.343 38.000 -0.424 0.000 1.057 552 I HN 0.052 nan 8.210 nan 0.000 0.413 553 R N 0.387 120.603 120.500 -0.473 0.000 2.083 553 R HA -0.242 4.098 4.340 0.000 0.000 0.237 553 R C 2.246 178.406 176.300 -0.234 0.000 1.137 553 R CA 1.810 57.655 56.100 -0.425 0.000 0.951 553 R CB -0.329 29.784 30.300 -0.312 0.000 0.851 553 R HN 0.250 nan 8.270 nan 0.000 0.434 554 E N 0.632 120.735 120.200 -0.161 0.000 2.021 554 E HA -0.240 4.110 4.350 0.000 0.000 0.200 554 E C 1.925 178.448 176.600 -0.129 0.000 1.015 554 E CA 1.629 57.958 56.400 -0.118 0.000 0.824 554 E CB -0.059 29.563 29.700 -0.130 0.000 0.762 554 E HN -0.043 nan 8.360 nan 0.000 0.454 555 R N -0.547 119.819 120.500 -0.223 0.000 2.170 555 R HA -0.069 4.271 4.340 0.000 0.000 0.242 555 R C 2.192 178.408 176.300 -0.139 0.000 1.145 555 R CA 0.969 56.910 56.100 -0.264 0.000 0.984 555 R CB -0.573 29.461 30.300 -0.443 0.000 0.869 555 R HN 0.181 nan 8.270 nan 0.000 0.455 556 V N -0.443 119.366 119.914 -0.175 0.000 2.446 556 V HA -0.074 4.046 4.120 0.000 0.000 0.244 556 V C 2.143 178.222 176.094 -0.025 0.000 1.039 556 V CA 1.554 63.787 62.300 -0.111 0.000 1.045 556 V CB -0.449 31.263 31.823 -0.185 0.000 0.681 556 V HN 0.419 nan 8.190 nan 0.000 0.459 557 A N 0.102 122.903 122.820 -0.031 0.000 1.858 557 A HA -0.260 4.060 4.320 0.000 0.000 0.216 557 A C 2.119 179.731 177.584 0.048 0.000 1.190 557 A CA 2.156 54.192 52.037 -0.001 0.000 0.617 557 A CB -0.851 18.139 19.000 -0.016 0.000 0.827 557 A HN 0.538 nan 8.150 nan 0.000 0.443 558 F N 0.460 120.354 119.950 -0.093 0.000 2.063 558 F HA -0.247 4.280 4.527 0.000 0.000 0.298 558 F C 1.835 177.596 175.800 -0.065 0.000 1.109 558 F CA 2.131 60.083 58.000 -0.079 0.000 1.212 558 F CB -0.642 38.302 39.000 -0.093 0.000 0.973 558 F HN 0.182 nan 8.300 nan 0.000 0.480 559 L N 1.157 122.557 121.223 0.295 0.000 2.129 559 L HA -0.231 4.109 4.340 0.000 0.000 0.212 559 L C 2.603 179.451 176.870 -0.037 0.000 1.087 559 L CA 2.371 57.291 54.840 0.133 0.000 0.757 559 L CB -1.077 41.062 42.059 0.134 0.000 0.896 559 L HN 0.524 nan 8.230 nan 0.000 0.434 560 E N -0.776 119.400 120.200 -0.039 0.000 2.152 560 E HA -0.164 4.186 4.350 0.000 0.000 0.192 560 E C 1.836 178.379 176.600 -0.095 0.000 0.983 560 E CA 1.446 57.815 56.400 -0.052 0.000 0.818 560 E CB -0.239 29.444 29.700 -0.029 0.000 0.758 560 E HN 0.672 nan 8.360 nan 0.000 0.467 561 S N 0.134 115.741 115.700 -0.154 0.000 2.489 561 S HA -0.036 4.434 4.470 0.000 0.000 0.228 561 S C 1.834 176.300 174.600 -0.223 0.000 0.995 561 S CA 0.521 58.613 58.200 -0.179 0.000 0.934 561 S CB 0.083 63.160 63.200 -0.204 0.000 0.771 561 S HN 0.061 nan 8.310 nan 0.000 0.522 562 Q N 1.745 121.374 119.800 -0.285 0.000 2.245 562 Q HA 0.182 4.522 4.340 0.000 0.000 0.201 562 Q C 2.015 177.938 176.000 -0.129 0.000 0.955 562 Q CA 1.071 56.723 55.803 -0.252 0.000 0.870 562 Q CB -0.258 28.305 28.738 -0.292 0.000 0.945 562 Q HN 0.676 nan 8.270 nan 0.000 0.461 563 K N 0.393 120.733 120.400 -0.099 0.000 1.963 563 K HA -0.118 4.202 4.320 0.000 0.000 0.216 563 K C 0.741 177.307 176.600 -0.056 0.000 1.045 563 K CA 1.009 57.262 56.287 -0.057 0.000 0.954 563 K CB -0.088 32.388 32.500 -0.040 0.000 0.732 563 K HN -0.168 nan 8.250 nan 0.000 0.442 564 K N 0.903 121.268 120.400 -0.059 0.000 2.408 564 K HA 0.002 4.322 4.320 0.000 0.000 0.231 564 K C 0.103 176.666 176.600 -0.063 0.000 1.261 564 K CA 0.536 56.792 56.287 -0.051 0.000 1.193 564 K CB -0.198 32.274 32.500 -0.046 0.000 1.431 564 K HN 0.592 nan 8.250 nan 0.000 0.243 565 G N -0.774 107.990 108.800 -0.061 0.000 3.755 565 G HA2 0.044 4.004 3.960 0.000 0.000 0.180 565 G HA3 0.044 4.004 3.960 0.000 0.000 0.180 565 G C 0.666 175.536 174.900 -0.050 0.000 1.374 565 G CA 0.448 45.510 45.100 -0.064 0.000 0.860 565 G HN 0.486 nan 8.290 nan 0.000 0.743 566 G N 1.056 109.828 108.800 -0.047 0.000 2.155 566 G HA2 -0.348 3.612 3.960 0.000 0.000 0.257 566 G HA3 -0.348 3.612 3.960 0.000 0.000 0.257 566 G C 0.910 175.793 174.900 -0.028 0.000 0.983 566 G CA 1.455 46.535 45.100 -0.032 0.000 0.676 566 G HN 1.172 nan 8.290 nan 0.000 0.528 567 N N 0.355 119.031 118.700 -0.039 0.000 2.405 567 N HA 0.065 4.805 4.740 0.000 0.000 0.175 567 N C 0.735 176.234 175.510 -0.018 0.000 1.051 567 N CA 0.456 53.489 53.050 -0.029 0.000 0.899 567 N CB -0.059 38.406 38.487 -0.037 0.000 1.000 567 N HN 1.054 nan 8.380 nan 0.000 0.451 568 N N -0.454 118.231 118.700 -0.026 0.000 4.779 568 N HA -0.272 4.468 4.740 0.000 0.000 0.346 568 N C -0.219 175.308 175.510 0.028 0.000 1.304 568 N CA 1.158 54.208 53.050 -0.001 0.000 2.940 568 N CB -0.434 38.061 38.487 0.013 0.000 0.418 568 N HN -0.021 nan 8.380 nan 0.000 0.851 569 V N -0.807 119.153 119.914 0.076 0.000 3.294 569 V HA 0.317 4.437 4.120 0.000 0.000 0.255 569 V C 0.081 176.243 176.094 0.113 0.000 1.528 569 V CA 0.621 62.995 62.300 0.123 0.000 1.086 569 V CB -0.275 31.704 31.823 0.259 0.000 0.906 569 V HN 1.160 nan 8.190 nan 0.000 0.433 570 S N 1.451 117.216 115.700 0.108 0.000 3.392 570 S HA -0.108 4.362 4.470 0.000 0.000 0.693 570 S C -0.730 173.927 174.600 0.096 0.000 0.620 570 S CA -0.267 57.985 58.200 0.088 0.000 1.452 570 S CB -0.746 62.493 63.200 0.065 0.000 0.988 570 S HN 0.261 nan 8.310 nan 0.000 0.932 571 L N 3.659 124.944 121.223 0.104 0.000 2.349 571 L HA 0.641 4.981 4.340 0.000 0.000 0.275 571 L C 1.368 178.318 176.870 0.132 0.000 1.115 571 L CA 1.162 56.067 54.840 0.109 0.000 0.820 571 L CB 0.478 42.590 42.059 0.088 0.000 1.135 571 L HN 0.774 nan 8.230 nan 0.000 0.445 572 G N 2.394 111.271 108.800 0.129 0.000 2.683 572 G HA2 0.069 4.030 3.960 0.000 0.000 0.260 572 G HA3 0.069 4.030 3.960 0.000 0.000 0.260 572 G C -0.421 174.567 174.900 0.147 0.000 1.238 572 G CA -0.579 44.562 45.100 0.070 0.000 0.934 572 G HN 0.651 nan 8.290 nan 0.000 0.534 573 K N 0.584 121.027 120.400 0.073 0.000 2.292 573 K HA 0.102 4.422 4.320 0.000 0.000 0.290 573 K C -0.442 176.216 176.600 0.096 0.000 1.083 573 K CA -0.248 56.115 56.287 0.126 0.000 0.918 573 K CB -0.206 32.344 32.500 0.084 0.000 1.089 573 K HN 0.603 nan 8.250 nan 0.000 0.473 574 H N 4.801 123.946 119.070 0.126 0.000 2.527 574 H HA 0.288 4.844 4.556 0.000 0.000 0.321 574 H C -0.411 175.035 175.328 0.197 0.000 1.087 574 H CA -0.575 55.569 56.048 0.160 0.000 1.337 574 H CB 1.593 31.455 29.762 0.168 0.000 1.440 574 H HN 0.537 nan 8.280 nan 0.000 0.490 575 I N 4.021 124.720 120.570 0.216 0.000 2.608 575 I HA 0.323 4.493 4.170 0.000 0.000 0.295 575 I C -1.487 174.650 176.117 0.032 0.000 1.049 575 I CA -0.908 60.426 61.300 0.056 0.000 1.063 575 I CB 2.266 40.286 38.000 0.033 0.000 1.248 575 I HN 0.416 nan 8.210 nan 0.000 0.424 576 L N 7.094 128.220 121.223 -0.160 0.000 2.381 576 L HA 0.529 4.869 4.340 0.000 0.000 0.274 576 L C -1.709 174.941 176.870 -0.366 0.000 0.988 576 L CA -0.576 54.182 54.840 -0.136 0.000 0.824 576 L CB 1.726 43.773 42.059 -0.020 0.000 1.263 576 L HN 0.545 nan 8.230 nan 0.000 0.410 577 F N 5.018 124.881 119.950 -0.145 0.000 2.307 577 F HA 0.293 4.820 4.527 0.000 0.000 0.369 577 F C -0.175 175.598 175.800 -0.045 0.000 1.076 577 F CA -0.454 57.462 58.000 -0.141 0.000 1.149 577 F CB 0.565 39.476 39.000 -0.148 0.000 1.410 577 F HN 0.344 nan 8.300 nan 0.000 0.481 578 Y N 1.799 122.013 120.300 -0.144 0.000 2.403 578 Y HA 0.817 5.367 4.550 0.000 0.000 0.323 578 Y C 0.107 175.873 175.900 -0.223 0.000 1.226 578 Y CA -0.983 57.020 58.100 -0.162 0.000 1.235 578 Y CB 1.586 39.861 38.460 -0.307 0.000 1.248 578 Y HN 0.529 nan 8.280 nan 0.000 0.489 579 G N 1.250 109.404 108.800 -1.077 0.000 2.694 579 G HA2 0.642 4.602 3.960 0.000 0.000 0.290 579 G HA3 0.642 4.602 3.960 0.000 0.000 0.290 579 G C -1.761 172.433 174.900 -1.177 0.000 1.386 579 G CA -0.480 44.063 45.100 -0.928 0.000 0.872 579 G HN 1.309 nan 8.290 nan 0.000 0.475 580 S N -1.041 114.262 115.700 -0.662 0.000 2.714 580 S HA 0.273 4.743 4.470 0.000 0.000 0.284 580 S C 0.641 175.206 174.600 -0.058 0.000 1.019 580 S CA -0.536 57.456 58.200 -0.346 0.000 0.856 580 S CB 1.033 64.039 63.200 -0.324 0.000 1.075 580 S HN 0.795 nan 8.310 nan 0.000 0.455 581 R N 1.811 122.309 120.500 -0.004 0.000 2.132 581 R HA -0.129 4.211 4.340 0.000 0.000 0.233 581 R C 1.330 177.699 176.300 0.114 0.000 1.125 581 R CA 2.543 58.673 56.100 0.050 0.000 0.914 581 R CB -0.567 29.730 30.300 -0.004 0.000 0.845 581 R HN 0.902 nan 8.270 nan 0.000 0.431 582 N N -2.281 116.457 118.700 0.063 0.000 3.567 582 N HA 0.074 4.814 4.740 0.000 0.000 0.347 582 N C 0.505 175.969 175.510 -0.077 0.000 1.553 582 N CA -0.169 52.840 53.050 -0.068 0.000 0.636 582 N CB 0.367 38.810 38.487 -0.073 0.000 2.483 582 N HN -0.151 nan 8.380 nan 0.000 0.608 583 T N -0.480 114.030 114.554 -0.074 0.000 3.037 583 T HA 0.135 4.485 4.350 0.000 0.000 0.251 583 T C 0.305 175.063 174.700 0.096 0.000 1.079 583 T CA 0.637 62.774 62.100 0.062 0.000 1.067 583 T CB -0.094 68.778 68.868 0.006 0.000 0.948 583 T HN 0.347 nan 8.240 nan 0.000 0.496 584 D N 2.144 122.546 120.400 0.003 0.000 2.277 584 D HA -0.038 4.602 4.640 0.000 0.000 0.208 584 D C 1.256 177.455 176.300 -0.169 0.000 0.962 584 D CA 0.754 54.732 54.000 -0.037 0.000 0.865 584 D CB -0.027 40.738 40.800 -0.058 0.000 0.939 584 D HN 0.523 nan 8.370 nan 0.000 0.510 585 D N -0.796 119.437 120.400 -0.278 0.000 2.501 585 D HA -0.042 4.598 4.640 0.000 0.000 0.226 585 D C -0.301 176.025 176.300 0.044 0.000 1.198 585 D CA -0.663 52.894 54.000 -0.737 0.000 0.830 585 D CB -1.260 38.944 40.800 -0.994 0.000 1.014 585 D HN 0.159 nan 8.370 nan 0.000 0.496 586 F N 1.834 121.868 119.950 0.140 0.000 2.439 586 F HA 0.250 4.777 4.527 0.000 0.000 0.356 586 F C 0.192 176.208 175.800 0.360 0.000 1.161 586 F CA -0.992 57.240 58.000 0.386 0.000 1.151 586 F CB 0.322 39.531 39.000 0.349 0.000 1.222 586 F HN -0.208 nan 8.300 nan 0.000 0.558 587 L N 7.271 129.002 121.223 0.846 0.000 2.499 587 L HA -0.073 4.267 4.340 0.000 0.000 0.273 587 L C 0.145 177.395 176.870 0.634 0.000 1.195 587 L CA -0.042 55.148 54.840 0.585 0.000 0.882 587 L CB -0.034 42.401 42.059 0.627 0.000 1.133 587 L HN 0.710 nan 8.230 nan 0.000 0.483 588 Y N 0.829 121.303 120.300 0.290 0.000 3.875 588 Y HA -0.377 4.173 4.550 0.000 0.000 0.216 588 Y C 1.844 177.713 175.900 -0.051 0.000 1.148 588 Y CA 1.071 59.176 58.100 0.009 0.000 1.629 588 Y CB -1.808 36.535 38.460 -0.194 0.000 1.506 588 Y HN 0.671 nan 8.280 nan 0.000 0.629 589 Q N 0.520 120.404 119.800 0.140 0.000 2.242 589 Q HA -0.299 4.041 4.340 0.000 0.000 0.211 589 Q C 1.167 177.078 176.000 -0.148 0.000 0.992 589 Q CA 2.402 58.069 55.803 -0.226 0.000 0.889 589 Q CB -0.065 28.350 28.738 -0.538 0.000 0.913 589 Q HN 0.682 nan 8.270 nan 0.000 0.422 590 D N -0.662 119.650 120.400 -0.146 0.000 2.289 590 D HA -0.041 4.599 4.640 0.000 0.000 0.207 590 D C 1.223 177.383 176.300 -0.233 0.000 0.966 590 D CA 0.673 54.581 54.000 -0.154 0.000 0.868 590 D CB 0.197 40.916 40.800 -0.135 0.000 0.943 590 D HN 0.380 nan 8.370 nan 0.000 0.514 591 E N -0.544 119.421 120.200 -0.392 0.000 2.076 591 E HA -0.096 4.254 4.350 0.000 0.000 0.190 591 E C 1.606 177.684 176.600 -0.870 0.000 0.979 591 E CA 0.438 56.379 56.400 -0.766 0.000 0.807 591 E CB -0.111 29.025 29.700 -0.940 0.000 0.761 591 E HN 0.406 nan 8.360 nan 0.000 0.454 592 W N 0.893 122.075 121.300 -0.196 0.000 2.308 592 W HA -0.150 4.510 4.660 0.000 0.000 0.301 592 W C -0.733 175.846 176.519 0.099 0.000 1.220 592 W CA 0.589 57.981 57.345 0.079 0.000 1.240 592 W CB -1.398 28.194 29.460 0.219 0.000 1.142 592 W HN 0.247 nan 8.180 nan 0.000 0.521 593 P HA -0.152 nan 4.420 nan 0.000 0.217 593 P C 1.390 178.740 177.300 0.084 0.000 1.151 593 P CA 1.602 64.782 63.100 0.134 0.000 0.828 593 P CB -0.014 31.717 31.700 0.051 0.000 0.788 594 E N -0.875 119.290 120.200 -0.058 0.000 2.047 594 E HA -0.170 4.180 4.350 0.000 0.000 0.191 594 E C 2.240 178.884 176.600 0.073 0.000 0.987 594 E CA 1.397 57.758 56.400 -0.065 0.000 0.799 594 E CB -1.105 28.465 29.700 -0.217 0.000 0.752 594 E HN 0.485 nan 8.360 nan 0.000 0.449 595 Y N 0.943 121.268 120.300 0.041 0.000 2.165 595 Y HA -0.238 4.312 4.550 0.000 0.000 0.286 595 Y C 2.554 178.512 175.900 0.096 0.000 1.155 595 Y CA 0.411 58.506 58.100 -0.009 0.000 1.164 595 Y CB -0.236 38.166 38.460 -0.097 0.000 0.978 595 Y HN 0.058 nan 8.280 nan 0.000 0.513 596 A N 0.523 123.622 122.820 0.465 0.000 1.865 596 A HA -0.261 4.059 4.320 0.000 0.000 0.217 596 A C 2.144 179.893 177.584 0.274 0.000 1.191 596 A CA 1.977 54.324 52.037 0.517 0.000 0.623 596 A CB -0.721 18.537 19.000 0.431 0.000 0.826 596 A HN 0.383 nan 8.150 nan 0.000 0.444 597 K N -0.652 119.862 120.400 0.190 0.000 2.074 597 K HA -0.225 4.095 4.320 0.000 0.000 0.209 597 K C 2.012 178.679 176.600 0.112 0.000 1.048 597 K CA 1.736 58.097 56.287 0.123 0.000 0.926 597 K CB -0.080 32.471 32.500 0.085 0.000 0.713 597 K HN 0.228 nan 8.250 nan 0.000 0.444 598 K N 0.492 120.963 120.400 0.119 0.000 2.025 598 K HA -0.075 4.245 4.320 0.000 0.000 0.207 598 K C 1.857 178.505 176.600 0.080 0.000 1.049 598 K CA 1.134 57.474 56.287 0.087 0.000 0.933 598 K CB -0.157 32.393 32.500 0.083 0.000 0.714 598 K HN 0.259 nan 8.250 nan 0.000 0.438 599 L N 1.507 122.790 121.223 0.099 0.000 2.629 599 L HA 0.096 4.436 4.340 0.000 0.000 0.230 599 L C 0.082 177.041 176.870 0.147 0.000 1.151 599 L CA -0.373 54.522 54.840 0.092 0.000 0.924 599 L CB -0.370 41.711 42.059 0.037 0.000 1.137 599 L HN 0.067 nan 8.230 nan 0.000 0.457 600 D N 2.428 122.913 120.400 0.142 0.000 7.216 600 D HA -0.163 4.477 4.640 0.000 0.000 0.166 600 D C 1.306 177.676 176.300 0.115 0.000 1.310 600 D CA 1.594 55.670 54.000 0.126 0.000 0.825 600 D CB 0.307 41.161 40.800 0.091 0.000 1.567 600 D HN 0.617 nan 8.370 nan 0.000 0.908 601 G N 2.374 111.248 108.800 0.123 0.000 2.527 601 G HA2 -0.358 3.602 3.960 0.000 0.000 0.218 601 G HA3 -0.358 3.602 3.960 0.000 0.000 0.218 601 G C 1.390 176.366 174.900 0.127 0.000 1.177 601 G CA 0.457 45.617 45.100 0.099 0.000 0.695 601 G HN 0.507 nan 8.290 nan 0.000 0.517 602 S N 0.174 115.967 115.700 0.156 0.000 2.507 602 S HA 0.281 4.751 4.470 0.000 0.000 0.235 602 S C 0.664 175.442 174.600 0.297 0.000 0.988 602 S CA 0.927 59.244 58.200 0.195 0.000 0.944 602 S CB -0.073 63.225 63.200 0.163 0.000 0.762 602 S HN 0.566 nan 8.310 nan 0.000 0.526 603 F N 1.108 121.105 119.950 0.080 0.000 2.523 603 F HA 0.600 5.127 4.527 0.000 0.000 0.329 603 F C -0.340 175.498 175.800 0.064 0.000 1.061 603 F CA -0.969 57.081 58.000 0.082 0.000 0.967 603 F CB 1.349 40.399 39.000 0.084 0.000 1.218 603 F HN -0.083 nan 8.300 nan 0.000 0.480 604 E N 5.714 125.400 120.200 -0.856 0.000 2.506 604 E HA 0.210 4.560 4.350 0.000 0.000 0.308 604 E C -1.912 174.119 176.600 -0.947 0.000 0.931 604 E CA -0.644 55.299 56.400 -0.761 0.000 0.800 604 E CB 1.802 31.325 29.700 -0.296 0.000 1.292 604 E HN 0.784 nan 8.360 nan 0.000 0.401 605 M N 3.970 123.060 119.600 -0.850 0.000 2.508 605 M HA 0.556 5.036 4.480 0.000 0.000 0.327 605 M C -1.509 174.472 176.300 -0.531 0.000 1.160 605 M CA -0.774 54.148 55.300 -0.631 0.000 0.980 605 M CB 1.814 34.136 32.600 -0.464 0.000 1.693 605 M HN 0.351 nan 8.290 nan 0.000 0.452 606 V N 4.763 124.313 119.914 -0.606 0.000 2.454 606 V HA 0.255 4.375 4.120 0.000 0.000 0.267 606 V C -0.394 175.486 176.094 -0.357 0.000 0.993 606 V CA -0.796 61.149 62.300 -0.591 0.000 0.836 606 V CB 0.924 32.032 31.823 -1.192 0.000 1.055 606 V HN 0.691 nan 8.190 nan 0.000 0.452 607 V N 2.647 122.435 119.914 -0.209 0.000 2.963 607 V HA 0.723 4.843 4.120 0.000 0.000 0.306 607 V C 0.700 176.645 176.094 -0.248 0.000 1.077 607 V CA 0.379 62.546 62.300 -0.222 0.000 1.124 607 V CB 1.564 33.299 31.823 -0.148 0.000 0.987 607 V HN 0.958 nan 8.190 nan 0.000 0.487 608 A N 3.039 125.602 122.820 -0.429 0.000 2.459 608 A HA 0.691 5.011 4.320 0.000 0.000 0.296 608 A C -0.948 176.334 177.584 -0.504 0.000 1.039 608 A CA -0.635 51.223 52.037 -0.299 0.000 0.698 608 A CB 1.096 20.022 19.000 -0.123 0.000 1.261 608 A HN 0.874 nan 8.150 nan 0.000 0.405 609 H N 1.844 120.885 119.070 -0.049 0.000 2.495 609 H HA 0.397 4.953 4.556 0.000 0.000 0.348 609 H C 0.872 176.199 175.328 -0.001 0.000 1.113 609 H CA 0.244 56.263 56.048 -0.048 0.000 1.195 609 H CB 2.209 31.953 29.762 -0.030 0.000 1.521 609 H HN 0.770 nan 8.280 nan 0.000 0.509 610 S N 2.302 118.083 115.700 0.136 0.000 2.486 610 S HA 0.068 4.538 4.470 0.000 0.000 0.220 610 S C 1.017 175.656 174.600 0.066 0.000 1.011 610 S CA -0.035 58.240 58.200 0.126 0.000 0.921 610 S CB 0.343 63.743 63.200 0.334 0.000 0.785 610 S HN 0.519 nan 8.310 nan 0.000 0.517 611 R N 0.862 121.404 120.500 0.070 0.000 2.748 611 R HA 0.450 4.790 4.340 0.000 0.000 0.395 611 R C -0.854 175.452 176.300 0.011 0.000 1.128 611 R CA -0.211 55.907 56.100 0.031 0.000 1.042 611 R CB 0.268 30.582 30.300 0.023 0.000 1.392 611 R HN 0.334 nan 8.270 nan 0.000 0.582 612 L N 3.074 124.306 121.223 0.016 0.000 2.439 612 L HA 0.239 4.579 4.340 0.000 0.000 0.269 612 L C -1.600 175.262 176.870 -0.013 0.000 1.179 612 L CA -1.665 53.165 54.840 -0.016 0.000 0.828 612 L CB 0.300 42.353 42.059 -0.010 0.000 1.106 612 L HN -0.071 nan 8.230 nan 0.000 0.467 613 P HA 0.117 nan 4.420 nan 0.000 0.275 613 P C -0.595 176.698 177.300 -0.012 0.000 1.227 613 P CA -0.144 62.947 63.100 -0.015 0.000 0.781 613 P CB 0.928 32.619 31.700 -0.016 0.000 0.906 614 N N -1.422 117.272 118.700 -0.011 0.000 2.936 614 N HA -0.109 4.631 4.740 0.000 0.000 0.236 614 N C 0.147 175.651 175.510 -0.010 0.000 0.930 614 N CA 1.729 54.773 53.050 -0.010 0.000 0.966 614 N CB -2.066 36.416 38.487 -0.008 0.000 1.090 614 N HN 0.635 nan 8.380 nan 0.000 0.592 615 T N -1.663 112.885 114.554 -0.011 0.000 2.858 615 T HA 0.592 4.942 4.350 0.000 0.000 0.285 615 T C 0.444 175.131 174.700 -0.021 0.000 1.052 615 T CA -0.977 61.116 62.100 -0.012 0.000 1.009 615 T CB 2.596 71.463 68.868 -0.003 0.000 1.241 615 T HN 0.323 nan 8.240 nan 0.000 0.542 616 K N 0.278 120.661 120.400 -0.029 0.000 2.140 616 K HA 0.457 4.777 4.320 0.000 0.000 0.237 616 K C -0.180 176.380 176.600 -0.067 0.000 1.045 616 K CA -0.947 55.309 56.287 -0.052 0.000 0.896 616 K CB 0.678 33.141 32.500 -0.061 0.000 1.122 616 K HN 0.492 nan 8.250 nan 0.000 0.503 617 K N 0.252 120.577 120.400 -0.124 0.000 2.185 617 K HA 0.263 4.583 4.320 0.000 0.000 0.271 617 K C -1.314 175.151 176.600 -0.225 0.000 1.013 617 K CA -0.701 55.474 56.287 -0.188 0.000 0.943 617 K CB 1.207 33.513 32.500 -0.324 0.000 0.998 617 K HN 0.411 nan 8.250 nan 0.000 0.468 618 V N 4.351 124.166 119.914 -0.164 0.000 2.686 618 V HA 0.354 4.474 4.120 0.000 0.000 0.306 618 V C -1.187 174.969 176.094 0.102 0.000 1.065 618 V CA -0.837 61.415 62.300 -0.081 0.000 0.894 618 V CB 1.320 33.144 31.823 0.001 0.000 1.004 618 V HN 0.722 nan 8.190 nan 0.000 0.424 619 Y N 1.819 122.086 120.300 -0.054 0.000 2.562 619 Y HA 0.355 4.905 4.550 0.000 0.000 0.343 619 Y C 1.360 177.223 175.900 -0.060 0.000 1.025 619 Y CA -1.298 56.757 58.100 -0.074 0.000 1.082 619 Y CB 2.386 40.807 38.460 -0.066 0.000 1.264 619 Y HN 0.368 nan 8.280 nan 0.000 0.478 620 V N 1.025 120.986 119.914 0.079 0.000 2.277 620 V HA -0.395 3.725 4.120 0.000 0.000 0.253 620 V C 1.619 177.720 176.094 0.012 0.000 1.067 620 V CA 2.272 64.594 62.300 0.037 0.000 1.047 620 V CB -0.778 31.042 31.823 -0.004 0.000 0.649 620 V HN 0.828 nan 8.190 nan 0.000 0.447 621 Q N 0.400 120.207 119.800 0.012 0.000 2.029 621 Q HA -0.239 4.101 4.340 0.000 0.000 0.209 621 Q C 1.994 177.992 176.000 -0.004 0.000 0.999 621 Q CA 2.228 58.019 55.803 -0.020 0.000 0.857 621 Q CB -0.743 28.003 28.738 0.014 0.000 0.926 621 Q HN 0.659 nan 8.270 nan 0.000 0.415 622 D N 0.585 121.011 120.400 0.044 0.000 2.177 622 D HA -0.207 4.433 4.640 0.000 0.000 0.189 622 D C 1.728 178.076 176.300 0.080 0.000 1.002 622 D CA 1.379 55.407 54.000 0.045 0.000 0.845 622 D CB -0.219 40.605 40.800 0.040 0.000 0.960 622 D HN 0.121 nan 8.370 nan 0.000 0.447 623 K N 0.581 121.049 120.400 0.114 0.000 2.127 623 K HA -0.125 4.195 4.320 0.000 0.000 0.208 623 K C 2.466 179.204 176.600 0.229 0.000 1.047 623 K CA 0.415 56.833 56.287 0.218 0.000 0.927 623 K CB -0.739 31.898 32.500 0.229 0.000 0.716 623 K HN 0.301 nan 8.250 nan 0.000 0.450 624 L N 0.779 121.971 121.223 -0.051 0.000 2.046 624 L HA -0.205 4.135 4.340 0.000 0.000 0.208 624 L C 2.448 179.307 176.870 -0.019 0.000 1.077 624 L CA 1.447 56.127 54.840 -0.268 0.000 0.747 624 L CB -0.282 41.557 42.059 -0.366 0.000 0.896 624 L HN 0.167 nan 8.230 nan 0.000 0.432 625 K N -0.394 120.020 120.400 0.023 0.000 2.155 625 K HA -0.133 4.187 4.320 0.000 0.000 0.203 625 K C 1.546 178.203 176.600 0.095 0.000 1.052 625 K CA 1.100 57.409 56.287 0.037 0.000 0.948 625 K CB -0.107 32.400 32.500 0.012 0.000 0.728 625 K HN 0.239 nan 8.250 nan 0.000 0.448 626 D N -0.268 120.238 120.400 0.176 0.000 2.263 626 D HA -0.138 4.502 4.640 0.000 0.000 0.208 626 D C 0.647 177.025 176.300 0.131 0.000 0.971 626 D CA 1.194 55.297 54.000 0.173 0.000 0.867 626 D CB 0.051 41.011 40.800 0.268 0.000 0.929 626 D HN 0.240 nan 8.370 nan 0.000 0.492 627 Y N 0.376 120.736 120.300 0.099 0.000 2.584 627 Y HA 0.206 4.756 4.550 0.000 0.000 0.254 627 Y C 1.466 177.420 175.900 0.090 0.000 1.177 627 Y CA -0.749 57.429 58.100 0.130 0.000 1.216 627 Y CB 0.016 38.646 38.460 0.283 0.000 1.172 627 Y HN -0.111 nan 8.280 nan 0.000 0.529 628 E N 0.590 120.882 120.200 0.153 0.000 2.239 628 E HA -0.352 3.998 4.350 0.000 0.000 0.240 628 E C 1.135 177.821 176.600 0.142 0.000 1.079 628 E CA 2.189 58.643 56.400 0.090 0.000 0.991 628 E CB -0.126 29.591 29.700 0.029 0.000 0.863 628 E HN 0.451 nan 8.360 nan 0.000 0.491 629 D N 0.049 120.525 120.400 0.126 0.000 2.149 629 D HA -0.170 4.470 4.640 0.000 0.000 0.198 629 D C 2.107 178.507 176.300 0.167 0.000 0.990 629 D CA 1.172 55.269 54.000 0.160 0.000 0.839 629 D CB -0.243 40.613 40.800 0.094 0.000 0.948 629 D HN 0.353 nan 8.370 nan 0.000 0.460 630 Q N 0.283 120.184 119.800 0.168 0.000 2.046 630 Q HA -0.085 4.255 4.340 0.000 0.000 0.200 630 Q C 2.547 178.651 176.000 0.174 0.000 0.975 630 Q CA 0.796 56.704 55.803 0.176 0.000 0.836 630 Q CB -0.065 28.830 28.738 0.261 0.000 0.896 630 Q HN 0.155 nan 8.270 nan 0.000 0.428 631 V N 1.190 121.226 119.914 0.204 0.000 2.220 631 V HA -0.283 3.837 4.120 0.000 0.000 0.246 631 V C 2.047 178.237 176.094 0.160 0.000 1.049 631 V CA 2.075 64.462 62.300 0.145 0.000 1.003 631 V CB -0.814 31.052 31.823 0.073 0.000 0.634 631 V HN 0.301 nan 8.190 nan 0.000 0.444 632 F N 1.168 121.124 119.950 0.010 0.000 2.045 632 F HA -0.267 4.260 4.527 0.000 0.000 0.297 632 F C 2.555 178.359 175.800 0.006 0.000 1.114 632 F CA 2.298 60.297 58.000 -0.001 0.000 1.207 632 F CB -0.846 38.155 39.000 0.002 0.000 0.964 632 F HN 0.188 nan 8.300 nan 0.000 0.486 633 E N 0.288 120.459 120.200 -0.048 0.000 2.068 633 E HA -0.317 4.034 4.350 0.000 0.000 0.207 633 E C 2.334 178.858 176.600 -0.127 0.000 1.032 633 E CA 2.460 58.762 56.400 -0.164 0.000 0.839 633 E CB -0.655 29.031 29.700 -0.024 0.000 0.758 633 E HN 0.520 nan 8.360 nan 0.000 0.457 634 M N -0.112 119.472 119.600 -0.027 0.000 2.108 634 M HA -0.187 4.293 4.480 0.000 0.000 0.261 634 M C 2.422 178.701 176.300 -0.034 0.000 1.066 634 M CA 1.301 56.595 55.300 -0.010 0.000 1.107 634 M CB -0.331 32.293 32.600 0.039 0.000 1.356 634 M HN 0.116 nan 8.290 nan 0.000 0.406 635 I N 0.115 120.664 120.570 -0.034 0.000 2.179 635 I HA -0.315 3.855 4.170 0.000 0.000 0.242 635 I C 2.007 178.072 176.117 -0.087 0.000 1.088 635 I CA 1.113 62.389 61.300 -0.041 0.000 1.357 635 I CB -0.872 37.141 38.000 0.020 0.000 1.051 635 I HN 0.369 nan 8.210 nan 0.000 0.409 636 N N 1.269 119.858 118.700 -0.184 0.000 2.334 636 N HA -0.155 4.585 4.740 0.000 0.000 0.187 636 N C 0.948 176.381 175.510 -0.129 0.000 1.016 636 N CA 1.025 53.945 53.050 -0.216 0.000 0.879 636 N CB -0.378 37.867 38.487 -0.404 0.000 0.965 636 N HN 0.454 nan 8.380 nan 0.000 0.438 637 N N 0.049 118.691 118.700 -0.097 0.000 2.295 637 N HA 0.080 4.820 4.740 0.000 0.000 0.221 637 N C 0.733 176.229 175.510 -0.022 0.000 1.129 637 N CA 0.307 53.325 53.050 -0.053 0.000 0.836 637 N CB 0.685 39.149 38.487 -0.040 0.000 1.040 637 N HN 0.222 nan 8.380 nan 0.000 0.494 638 G N 0.660 109.439 108.800 -0.036 0.000 2.148 638 G HA2 -0.316 3.644 3.960 0.000 0.000 0.254 638 G HA3 -0.316 3.644 3.960 0.000 0.000 0.254 638 G C 0.370 175.280 174.900 0.017 0.000 0.981 638 G CA 0.226 45.311 45.100 -0.025 0.000 0.670 638 G HN 0.569 nan 8.290 nan 0.000 0.528 639 A N -0.339 122.495 122.820 0.023 0.000 2.540 639 A HA 0.557 4.877 4.320 0.000 0.000 0.239 639 A C 0.306 177.939 177.584 0.082 0.000 1.061 639 A CA 0.246 52.338 52.037 0.092 0.000 0.758 639 A CB 0.115 19.140 19.000 0.042 0.000 0.991 639 A HN 0.624 nan 8.150 nan 0.000 0.502 640 F N 0.678 120.612 119.950 -0.026 0.000 2.380 640 F HA 0.513 5.040 4.527 0.000 0.000 0.325 640 F C 0.647 176.387 175.800 -0.100 0.000 1.136 640 F CA -0.169 57.781 58.000 -0.084 0.000 1.171 640 F CB 1.007 39.967 39.000 -0.067 0.000 1.230 640 F HN 0.340 nan 8.300 nan 0.000 0.554 641 I N 2.534 123.020 120.570 -0.140 0.000 2.436 641 I HA 0.266 4.436 4.170 0.000 0.000 0.289 641 I C -1.462 174.556 176.117 -0.165 0.000 1.010 641 I CA -0.785 60.401 61.300 -0.191 0.000 1.098 641 I CB 1.446 39.094 38.000 -0.587 0.000 1.266 641 I HN 0.376 nan 8.210 nan 0.000 0.434 642 Y N 5.221 125.595 120.300 0.124 0.000 2.331 642 Y HA 0.564 5.114 4.550 0.000 0.000 0.334 642 Y C -0.258 175.983 175.900 0.568 0.000 0.960 642 Y CA -0.953 57.360 58.100 0.355 0.000 1.130 642 Y CB 1.924 40.548 38.460 0.274 0.000 1.164 642 Y HN 0.141 nan 8.280 nan 0.000 0.458 643 V N 3.335 123.760 119.914 0.851 0.000 2.495 643 V HA 0.619 4.739 4.120 0.000 0.000 0.298 643 V C -0.576 175.868 176.094 0.583 0.000 1.031 643 V CA -0.789 61.900 62.300 0.648 0.000 0.871 643 V CB 1.730 33.825 31.823 0.454 0.000 0.988 643 V HN 0.950 nan 8.190 nan 0.000 0.432 644 C N 3.570 123.112 119.300 0.402 0.000 2.985 644 C HA 0.971 5.431 4.460 0.000 0.000 0.314 644 C C -0.053 174.941 174.990 0.006 0.000 1.215 644 C CA 0.422 59.484 59.018 0.073 0.000 1.414 644 C CB 0.920 28.537 27.740 -0.206 0.000 1.842 644 C HN 1.903 nan 8.230 nan 0.000 0.477 645 G N 4.577 113.302 108.800 -0.126 0.000 2.841 645 G HA2 0.177 4.137 3.960 0.000 0.000 0.684 645 G HA3 0.177 4.137 3.960 0.000 0.000 0.684 645 G C -1.030 173.334 174.900 -0.893 0.000 1.273 645 G CA 0.011 44.902 45.100 -0.349 0.000 0.811 645 G HN 1.181 nan 8.290 nan 0.000 0.631 646 D N 0.385 119.757 120.400 -1.712 0.000 2.390 646 D HA 0.521 5.161 4.640 0.000 0.000 0.236 646 D C 0.382 176.274 176.300 -0.680 0.000 1.189 646 D CA 1.458 54.590 54.000 -1.447 0.000 0.887 646 D CB 1.302 41.246 40.800 -1.428 0.000 1.198 646 D HN 1.994 nan 8.370 nan 0.000 0.444 647 A N 2.528 125.056 122.820 -0.486 0.000 1.346 647 A HA 0.077 4.397 4.320 0.000 0.000 0.225 647 A C 0.446 177.847 177.584 -0.305 0.000 0.958 647 A CA -0.177 51.654 52.037 -0.343 0.000 0.740 647 A CB -0.632 18.174 19.000 -0.323 0.000 0.733 647 A HN 0.609 nan 8.150 nan 0.000 0.326 648 K N 1.041 121.297 120.400 -0.240 0.000 2.643 648 K HA 0.299 4.620 4.320 0.000 0.000 0.193 648 K C 0.944 177.426 176.600 -0.197 0.000 1.027 648 K CA 1.267 57.427 56.287 -0.212 0.000 1.033 648 K CB 0.093 32.507 32.500 -0.144 0.000 0.827 648 K HN 1.456 nan 8.250 nan 0.000 0.500 649 G N 1.004 109.684 108.800 -0.200 0.000 4.260 649 G HA2 -0.021 3.939 3.960 0.000 0.000 0.204 649 G HA3 -0.021 3.939 3.960 0.000 0.000 0.204 649 G C 0.696 175.512 174.900 -0.140 0.000 0.952 649 G CA 0.160 45.169 45.100 -0.153 0.000 0.815 649 G HN 0.309 nan 8.290 nan 0.000 0.465 650 M N 0.604 120.095 119.600 -0.181 0.000 2.287 650 M HA 0.604 5.084 4.480 0.000 0.000 0.266 650 M C 2.351 178.589 176.300 -0.105 0.000 1.079 650 M CA 2.028 57.236 55.300 -0.153 0.000 1.146 650 M CB -0.215 32.264 32.600 -0.202 0.000 1.374 650 M HN 0.100 nan 8.290 nan 0.000 0.435 651 A N 1.897 124.633 122.820 -0.140 0.000 1.842 651 A HA -0.212 4.108 4.320 0.000 0.000 0.217 651 A C 2.235 179.797 177.584 -0.037 0.000 1.206 651 A CA 2.490 54.474 52.037 -0.088 0.000 0.630 651 A CB -0.929 17.961 19.000 -0.183 0.000 0.839 651 A HN 0.670 nan 8.150 nan 0.000 0.447 652 K N -0.780 119.577 120.400 -0.071 0.000 2.147 652 K HA -0.070 4.250 4.320 0.000 0.000 0.205 652 K C 2.099 178.687 176.600 -0.020 0.000 1.049 652 K CA 0.954 57.219 56.287 -0.037 0.000 0.936 652 K CB -0.448 32.017 32.500 -0.059 0.000 0.722 652 K HN 0.492 nan 8.250 nan 0.000 0.446 653 G N 1.385 110.165 108.800 -0.034 0.000 2.421 653 G HA2 -0.220 3.740 3.960 0.000 0.000 0.216 653 G HA3 -0.220 3.740 3.960 0.000 0.000 0.216 653 G C 1.613 176.511 174.900 -0.004 0.000 1.171 653 G CA 0.658 45.747 45.100 -0.017 0.000 0.775 653 G HN 0.097 nan 8.290 nan 0.000 0.543 654 V N 0.541 120.456 119.914 0.002 0.000 2.427 654 V HA -0.144 3.976 4.120 0.000 0.000 0.248 654 V C 3.019 179.145 176.094 0.055 0.000 1.051 654 V CA 2.119 64.426 62.300 0.011 0.000 1.048 654 V CB -0.134 31.705 31.823 0.027 0.000 0.666 654 V HN 0.463 nan 8.190 nan 0.000 0.456 655 S N -0.800 114.967 115.700 0.112 0.000 2.356 655 S HA -0.245 4.225 4.470 0.000 0.000 0.223 655 S C 2.184 176.836 174.600 0.087 0.000 1.032 655 S CA 2.370 60.676 58.200 0.175 0.000 1.005 655 S CB -0.408 62.873 63.200 0.135 0.000 0.867 655 S HN 0.601 nan 8.310 nan 0.000 0.449 656 T N 1.252 115.830 114.554 0.039 0.000 2.849 656 T HA -0.017 4.333 4.350 0.000 0.000 0.270 656 T C 1.735 176.435 174.700 -0.000 0.000 1.066 656 T CA 1.321 63.428 62.100 0.012 0.000 1.130 656 T CB -0.464 68.402 68.868 -0.003 0.000 0.864 656 T HN 0.502 nan 8.240 nan 0.000 0.481 657 A N 0.729 123.546 122.820 -0.006 0.000 1.874 657 A HA 0.143 4.463 4.320 0.000 0.000 0.214 657 A C 2.206 179.767 177.584 -0.038 0.000 1.189 657 A CA 0.868 52.887 52.037 -0.029 0.000 0.615 657 A CB -0.577 18.395 19.000 -0.047 0.000 0.830 657 A HN 0.521 nan 8.150 nan 0.000 0.443 658 L N -0.661 120.546 121.223 -0.027 0.000 2.141 658 L HA -0.118 4.222 4.340 0.000 0.000 0.209 658 L C 2.466 179.331 176.870 -0.009 0.000 1.094 658 L CA 0.951 55.771 54.840 -0.032 0.000 0.763 658 L CB -0.617 41.419 42.059 -0.038 0.000 0.908 658 L HN 0.310 nan 8.230 nan 0.000 0.437 659 V N 0.508 120.429 119.914 0.011 0.000 2.343 659 V HA -0.176 3.944 4.120 0.000 0.000 0.247 659 V C 2.396 178.471 176.094 -0.032 0.000 1.051 659 V CA 2.166 64.469 62.300 0.004 0.000 1.036 659 V CB -0.436 31.394 31.823 0.012 0.000 0.654 659 V HN 0.504 nan 8.190 nan 0.000 0.451 660 G N -0.367 108.409 108.800 -0.039 0.000 2.402 660 G HA2 -0.201 3.759 3.960 0.000 0.000 0.216 660 G HA3 -0.201 3.759 3.960 0.000 0.000 0.216 660 G C 1.536 176.378 174.900 -0.096 0.000 1.162 660 G CA 1.149 46.213 45.100 -0.059 0.000 0.777 660 G HN 0.532 nan 8.290 nan 0.000 0.539 661 I N 0.282 120.795 120.570 -0.095 0.000 2.179 661 I HA -0.143 4.027 4.170 0.000 0.000 0.242 661 I C 2.754 178.718 176.117 -0.256 0.000 1.088 661 I CA 0.760 61.974 61.300 -0.143 0.000 1.357 661 I CB -0.287 37.664 38.000 -0.080 0.000 1.051 661 I HN 0.133 nan 8.210 nan 0.000 0.409 662 L N -0.010 121.117 121.223 -0.159 0.000 2.017 662 L HA -0.229 4.111 4.340 0.000 0.000 0.208 662 L C 2.831 179.579 176.870 -0.204 0.000 1.073 662 L CA 1.467 56.209 54.840 -0.164 0.000 0.745 662 L CB -0.528 41.522 42.059 -0.016 0.000 0.894 662 L HN 0.296 nan 8.230 nan 0.000 0.432 663 S N 0.171 115.790 115.700 -0.134 0.000 2.392 663 S HA -0.298 4.172 4.470 0.000 0.000 0.225 663 S C 2.119 176.623 174.600 -0.159 0.000 1.041 663 S CA 1.841 59.974 58.200 -0.110 0.000 1.100 663 S CB -0.191 62.962 63.200 -0.079 0.000 1.029 663 S HN 0.299 nan 8.310 nan 0.000 0.424 664 R N 0.324 120.712 120.500 -0.187 0.000 2.091 664 R HA -0.058 4.282 4.340 0.000 0.000 0.238 664 R C 2.526 178.639 176.300 -0.311 0.000 1.136 664 R CA 1.275 57.256 56.100 -0.200 0.000 0.959 664 R CB -1.111 29.084 30.300 -0.175 0.000 0.856 664 R HN 0.602 nan 8.270 nan 0.000 0.437 665 G N 1.381 109.814 108.800 -0.613 0.000 2.736 665 G HA2 -0.275 3.685 3.960 0.000 0.000 0.214 665 G HA3 -0.275 3.685 3.960 0.000 0.000 0.214 665 G C 0.898 175.537 174.900 -0.434 0.000 1.327 665 G CA 0.603 45.005 45.100 -1.164 0.000 0.818 665 G HN 0.240 nan 8.290 nan 0.000 0.611 666 K N 0.884 121.148 120.400 -0.226 0.000 2.574 666 K HA 0.097 4.417 4.320 0.000 0.000 0.193 666 K C 0.461 177.055 176.600 -0.010 0.000 1.035 666 K CA 0.635 56.946 56.287 0.040 0.000 0.982 666 K CB -0.120 32.441 32.500 0.102 0.000 0.795 666 K HN 0.237 nan 8.250 nan 0.000 0.491 667 S N 0.953 116.612 115.700 -0.068 0.000 3.341 667 S HA -0.154 4.316 4.470 0.000 0.000 0.414 667 S C -0.213 174.370 174.600 -0.028 0.000 0.869 667 S CA 0.750 58.922 58.200 -0.047 0.000 1.349 667 S CB -1.741 61.446 63.200 -0.021 0.000 0.938 667 S HN 0.550 nan 8.310 nan 0.000 0.615 668 I N -2.662 117.886 120.570 -0.038 0.000 2.787 668 I HA 0.517 4.687 4.170 0.000 0.000 0.294 668 I C 0.257 176.357 176.117 -0.028 0.000 1.365 668 I CA -1.240 60.046 61.300 -0.022 0.000 1.029 668 I CB 1.739 39.733 38.000 -0.010 0.000 1.313 668 I HN 0.115 nan 8.210 nan 0.000 0.431 669 T N 2.503 117.045 114.554 -0.020 0.000 2.848 669 T HA -0.038 4.312 4.350 0.000 0.000 0.340 669 T C 1.451 176.138 174.700 -0.021 0.000 1.091 669 T CA 0.545 62.633 62.100 -0.020 0.000 1.123 669 T CB 0.375 69.235 68.868 -0.015 0.000 1.042 669 T HN 0.829 nan 8.240 nan 0.000 0.544 670 T N 2.274 116.814 114.554 -0.023 0.000 2.607 670 T HA -0.183 4.167 4.350 0.000 0.000 0.267 670 T C 1.820 176.512 174.700 -0.015 0.000 1.049 670 T CA 1.826 63.913 62.100 -0.022 0.000 1.162 670 T CB -0.517 68.338 68.868 -0.022 0.000 0.863 670 T HN 0.770 nan 8.240 nan 0.000 0.424 671 D N 1.805 122.196 120.400 -0.014 0.000 2.149 671 D HA -0.155 4.485 4.640 0.000 0.000 0.198 671 D C 1.922 178.219 176.300 -0.005 0.000 0.990 671 D CA 1.094 55.088 54.000 -0.010 0.000 0.839 671 D CB -0.495 40.297 40.800 -0.012 0.000 0.948 671 D HN 0.592 nan 8.370 nan 0.000 0.460 672 E N 1.066 121.263 120.200 -0.004 0.000 2.107 672 E HA -0.023 4.327 4.350 0.000 0.000 0.191 672 E C 2.250 178.854 176.600 0.007 0.000 0.982 672 E CA 0.915 57.316 56.400 0.001 0.000 0.809 672 E CB -0.114 29.586 29.700 0.000 0.000 0.756 672 E HN 0.316 nan 8.360 nan 0.000 0.459 673 A N 1.376 124.197 122.820 0.002 0.000 1.873 673 A HA -0.138 4.182 4.320 0.000 0.000 0.215 673 A C 2.417 180.013 177.584 0.020 0.000 1.186 673 A CA 1.717 53.759 52.037 0.007 0.000 0.616 673 A CB -0.919 18.076 19.000 -0.010 0.000 0.823 673 A HN 0.153 nan 8.150 nan 0.000 0.442 674 T N 0.124 114.685 114.554 0.013 0.000 2.699 674 T HA -0.181 4.169 4.350 0.000 0.000 0.268 674 T C 1.750 176.464 174.700 0.024 0.000 1.036 674 T CA 1.734 63.845 62.100 0.017 0.000 1.147 674 T CB -0.285 68.584 68.868 0.001 0.000 0.862 674 T HN 0.625 nan 8.240 nan 0.000 0.446 675 E N 0.599 120.810 120.200 0.019 0.000 2.031 675 E HA -0.065 4.285 4.350 0.000 0.000 0.193 675 E C 2.307 178.926 176.600 0.033 0.000 0.994 675 E CA 0.890 57.303 56.400 0.023 0.000 0.800 675 E CB -0.297 29.413 29.700 0.017 0.000 0.752 675 E HN 0.422 nan 8.360 nan 0.000 0.447 676 L N 0.829 122.073 121.223 0.034 0.000 2.043 676 L HA -0.248 4.092 4.340 0.000 0.000 0.212 676 L C 2.445 179.351 176.870 0.060 0.000 1.075 676 L CA 1.022 55.887 54.840 0.042 0.000 0.752 676 L CB -0.573 41.512 42.059 0.044 0.000 0.891 676 L HN 0.200 nan 8.230 nan 0.000 0.432 677 I N -0.475 120.140 120.570 0.075 0.000 2.058 677 I HA -0.314 3.856 4.170 0.000 0.000 0.235 677 I C 2.630 178.797 176.117 0.084 0.000 1.053 677 I CA 1.271 62.645 61.300 0.123 0.000 1.313 677 I CB -0.538 37.536 38.000 0.123 0.000 1.039 677 I HN 0.181 nan 8.210 nan 0.000 0.396 678 K N 0.364 120.796 120.400 0.054 0.000 2.127 678 K HA -0.293 4.027 4.320 0.000 0.000 0.212 678 K C 2.072 178.697 176.600 0.042 0.000 1.050 678 K CA 2.023 58.340 56.287 0.051 0.000 0.929 678 K CB -0.636 31.907 32.500 0.071 0.000 0.715 678 K HN 0.432 nan 8.250 nan 0.000 0.457 679 M N 0.490 120.114 119.600 0.040 0.000 2.117 679 M HA -0.161 4.319 4.480 0.000 0.000 0.262 679 M C 2.102 178.411 176.300 0.015 0.000 1.065 679 M CA 1.341 56.657 55.300 0.026 0.000 1.114 679 M CB -0.015 32.598 32.600 0.022 0.000 1.361 679 M HN 0.065 nan 8.290 nan 0.000 0.408 680 L N -0.033 121.210 121.223 0.034 0.000 2.083 680 L HA -0.243 4.097 4.340 0.000 0.000 0.209 680 L C 2.363 179.252 176.870 0.031 0.000 1.083 680 L CA 1.432 56.290 54.840 0.030 0.000 0.752 680 L CB -0.447 41.680 42.059 0.114 0.000 0.899 680 L HN 0.283 nan 8.230 nan 0.000 0.433 681 K N -0.655 119.754 120.400 0.015 0.000 2.025 681 K HA -0.131 4.189 4.320 0.000 0.000 0.207 681 K C 2.117 178.706 176.600 -0.018 0.000 1.049 681 K CA 1.870 58.130 56.287 -0.045 0.000 0.933 681 K CB -0.413 31.995 32.500 -0.153 0.000 0.714 681 K HN 0.446 nan 8.250 nan 0.000 0.438 682 T N -0.030 114.519 114.554 -0.009 0.000 2.720 682 T HA -0.161 4.189 4.350 0.000 0.000 0.268 682 T C 2.113 176.811 174.700 -0.002 0.000 1.037 682 T CA 1.730 63.826 62.100 -0.006 0.000 1.144 682 T CB -0.522 68.350 68.868 0.007 0.000 0.864 682 T HN 0.220 nan 8.240 nan 0.000 0.444 683 S N 0.778 116.473 115.700 -0.009 0.000 2.607 683 S HA 0.383 4.853 4.470 0.000 0.000 0.224 683 S C 1.925 176.517 174.600 -0.012 0.000 0.969 683 S CA 0.392 58.583 58.200 -0.015 0.000 0.927 683 S CB -0.777 62.400 63.200 -0.039 0.000 0.772 683 S HN 1.337 nan 8.310 nan 0.000 0.533 684 G N 1.539 110.339 108.800 0.000 0.000 2.143 684 G HA2 -0.293 3.667 3.960 0.000 0.000 0.249 684 G HA3 -0.293 3.667 3.960 0.000 0.000 0.249 684 G C 0.681 175.562 174.900 -0.030 0.000 0.981 684 G CA 0.288 45.414 45.100 0.043 0.000 0.665 684 G HN 0.525 nan 8.290 nan 0.000 0.528 685 R N -0.640 119.723 120.500 -0.228 0.000 2.334 685 R HA 0.311 4.651 4.340 0.000 0.000 0.220 685 R C 0.017 176.151 176.300 -0.277 0.000 0.917 685 R CA 0.080 55.786 56.100 -0.656 0.000 1.073 685 R CB 0.161 30.044 30.300 -0.694 0.000 1.056 685 R HN 0.567 nan 8.270 nan 0.000 0.506 686 Y N 0.816 120.992 120.300 -0.208 0.000 2.422 686 Y HA 0.210 4.760 4.550 0.000 0.000 0.344 686 Y C -1.402 174.488 175.900 -0.016 0.000 1.097 686 Y CA -1.054 56.976 58.100 -0.115 0.000 1.307 686 Y CB 0.830 39.255 38.460 -0.059 0.000 1.102 686 Y HN -0.043 nan 8.280 nan 0.000 0.520 687 Q N 4.331 124.303 119.800 0.288 0.000 2.245 687 Q HA 0.408 4.748 4.340 0.000 0.000 0.256 687 Q C -1.041 175.381 176.000 0.703 0.000 0.942 687 Q CA -0.705 55.322 55.803 0.374 0.000 0.896 687 Q CB 2.576 31.478 28.738 0.273 0.000 1.272 687 Q HN 0.620 nan 8.270 nan 0.000 0.442 688 E N 0.854 121.408 120.200 0.590 0.000 2.299 688 E HA 0.347 4.697 4.350 0.000 0.000 0.265 688 E C -1.127 175.601 176.600 0.212 0.000 0.911 688 E CA -0.598 56.087 56.400 0.476 0.000 0.789 688 E CB 1.476 31.332 29.700 0.261 0.000 1.246 688 E HN 0.401 nan 8.360 nan 0.000 0.427 689 D N 1.438 121.810 120.400 -0.047 0.000 3.220 689 D HA 0.114 4.754 4.640 0.000 0.000 0.309 689 D C -1.418 174.907 176.300 0.042 0.000 1.276 689 D CA -0.202 53.686 54.000 -0.187 0.000 0.736 689 D CB 0.682 40.952 40.800 -0.884 0.000 1.304 689 D HN 0.247 nan 8.370 nan 0.000 0.582 690 V N -0.248 119.718 119.914 0.086 0.000 2.567 690 V HA 0.885 5.005 4.120 0.000 0.000 0.289 690 V C -0.021 176.135 176.094 0.103 0.000 1.049 690 V CA -0.460 61.803 62.300 -0.061 0.000 0.969 690 V CB 0.920 32.675 31.823 -0.113 0.000 0.995 690 V HN 0.299 nan 8.190 nan 0.000 0.471 691 W N 0.000 121.320 121.300 0.033 0.000 2.388 691 W HA 0.000 4.660 4.660 0.000 0.000 0.303 691 W CA 0.000 57.378 57.345 0.054 0.000 1.226 691 W CB 0.000 29.448 29.460 -0.020 0.000 1.126 691 W HN 0.000 nan 8.180 nan 0.000 0.535