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 3hyx_1_B DATA FIRST_RESID 2 DATA SEQUENCE AKHVVVIGGG VGGIATAYNL RNLMPDLKIT LISDRPYFGF TPAFPHLAMG DATA SEQUENCE WRKFEDISVP LAPLLPKFNI EFINEKAESI DPDANTVTTQ SGKKIEYDYL DATA SEQUENCE VIATGPKLVF GAEGQEENST SICTAEHALE TQKKLQELYA NPGPVVIGAI DATA SEQUENCE PGVSXFGPAY EFALMLHYEL KKRGIRYKVP MTFITSEPYL GHFGVGGIGA DATA SEQUENCE SKRLVEDLFA ERNIDWIANV AVKAIEPDKV IYEDLNGNTH EVPAKFTMFM DATA SEQUENCE PSFQGPEVVA SAGDKVANPA NKMVIVNRcF QNPTYKNIFG VGVVTAIPPI DATA SEQUENCE EKTPIPTGVP KTGMMIEQMA MAVAHNIVND IRNNPDKYAP RLSAICIADF DATA SEQUENCE GEDAGFFFAD PVIPPRERVI TKMGKWAHYF KTAFEKYFLW KVRNGNIAPS DATA SEQUENCE FEEKVLEIFL KVHPIELcKD cEGAPGSRc 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.641 177.584 0.094 0.000 1.274 2 A CA 0.000 52.072 52.037 0.059 0.000 0.836 2 A CB 0.000 19.029 19.000 0.047 0.000 0.831 3 K N 1.243 121.721 120.400 0.131 0.000 2.168 3 K HA 0.347 4.667 4.320 -0.000 0.000 0.258 3 K C -0.401 176.358 176.600 0.264 0.000 1.010 3 K CA -0.103 56.306 56.287 0.205 0.000 0.929 3 K CB 0.510 33.169 32.500 0.265 0.000 0.998 3 K HN 0.829 nan 8.250 nan 0.000 0.479 4 H N 0.515 119.690 119.070 0.176 0.000 2.727 4 H HA 0.335 4.891 4.556 -0.000 0.000 0.330 4 H C -1.250 174.214 175.328 0.228 0.000 0.986 4 H CA -0.745 55.400 56.048 0.161 0.000 1.251 4 H CB 1.013 30.848 29.762 0.122 0.000 1.493 4 H HN 0.087 nan 8.280 nan 0.000 0.515 5 V N 6.224 126.191 119.914 0.088 0.000 2.398 5 V HA 0.200 4.320 4.120 -0.000 0.000 0.286 5 V C 0.036 176.037 176.094 -0.156 0.000 1.026 5 V CA -0.771 61.538 62.300 0.015 0.000 0.868 5 V CB 1.470 33.329 31.823 0.061 0.000 0.982 5 V HN 0.462 nan 8.190 nan 0.000 0.443 6 V N 5.663 125.474 119.914 -0.172 0.000 2.398 6 V HA 0.418 4.538 4.120 -0.000 0.000 0.286 6 V C -0.108 175.938 176.094 -0.081 0.000 1.026 6 V CA -0.450 61.765 62.300 -0.141 0.000 0.868 6 V CB 1.905 33.632 31.823 -0.159 0.000 0.982 6 V HN 0.650 nan 8.190 nan 0.000 0.443 7 V N 6.674 126.577 119.914 -0.018 0.000 2.398 7 V HA 0.474 4.594 4.120 -0.000 0.000 0.286 7 V C -0.031 176.071 176.094 0.013 0.000 1.026 7 V CA -0.472 61.830 62.300 0.003 0.000 0.868 7 V CB 1.685 33.530 31.823 0.038 0.000 0.982 7 V HN 0.654 nan 8.190 nan 0.000 0.443 8 I N 4.584 125.151 120.570 -0.004 0.000 2.297 8 I HA 0.699 4.869 4.170 -0.000 0.000 0.291 8 I C 0.714 176.846 176.117 0.025 0.000 1.033 8 I CA 0.099 61.401 61.300 0.003 0.000 1.253 8 I CB 1.104 39.090 38.000 -0.023 0.000 1.396 8 I HN 0.890 nan 8.210 nan 0.000 0.476 9 G N 3.567 112.397 108.800 0.050 0.000 3.400 9 G HA2 0.013 3.973 3.960 -0.000 0.000 0.679 9 G HA3 0.013 3.973 3.960 -0.000 0.000 0.679 9 G C 0.036 174.994 174.900 0.097 0.000 1.239 9 G CA -0.570 44.565 45.100 0.057 0.000 1.049 9 G HN 0.926 nan 8.290 nan 0.000 0.539 10 G N 0.593 109.465 108.800 0.120 0.000 3.474 10 G HA2 0.606 4.566 3.960 -0.000 0.000 0.269 10 G HA3 0.606 4.566 3.960 -0.000 0.000 0.269 10 G C 0.932 175.955 174.900 0.205 0.000 1.339 10 G CA 1.007 46.198 45.100 0.153 0.000 1.258 10 G HN 1.211 nan 8.290 nan 0.000 0.560 11 G N -0.721 108.181 108.800 0.170 0.000 2.641 11 G HA2 0.311 4.271 3.960 -0.000 0.000 0.239 11 G HA3 0.311 4.271 3.960 -0.000 0.000 0.239 11 G C 1.088 176.241 174.900 0.421 0.000 1.402 11 G CA 0.023 45.248 45.100 0.208 0.000 1.046 11 G HN 0.003 nan 8.290 nan 0.000 0.565 12 V N 0.761 120.898 119.914 0.372 0.000 2.407 12 V HA -0.056 4.064 4.120 -0.000 0.000 0.248 12 V C 2.905 179.109 176.094 0.183 0.000 1.055 12 V CA 2.559 65.102 62.300 0.404 0.000 1.049 12 V CB -0.668 31.298 31.823 0.239 0.000 0.662 12 V HN 0.766 nan 8.190 nan 0.000 0.455 13 G N -0.705 108.158 108.800 0.104 0.000 2.426 13 G HA2 0.003 3.963 3.960 -0.000 0.000 0.214 13 G HA3 0.003 3.963 3.960 -0.000 0.000 0.214 13 G C 1.569 176.483 174.900 0.022 0.000 1.156 13 G CA 0.746 45.875 45.100 0.049 0.000 0.802 13 G HN 0.556 nan 8.290 nan 0.000 0.534 14 G N 1.331 110.152 108.800 0.036 0.000 2.414 14 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.215 14 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.215 14 G C 1.672 176.545 174.900 -0.044 0.000 1.188 14 G CA 0.774 45.886 45.100 0.020 0.000 0.783 14 G HN 0.252 nan 8.290 nan 0.000 0.537 15 I N 1.951 122.450 120.570 -0.118 0.000 2.163 15 I HA -0.177 3.993 4.170 -0.000 0.000 0.243 15 I C 3.311 179.125 176.117 -0.505 0.000 1.085 15 I CA 1.401 62.441 61.300 -0.433 0.000 1.347 15 I CB -1.258 36.343 38.000 -0.666 0.000 1.044 15 I HN 0.267 nan 8.210 nan 0.000 0.408 16 A N 0.583 123.228 122.820 -0.291 0.000 1.883 16 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 16 A C 2.432 179.952 177.584 -0.108 0.000 1.186 16 A CA 2.664 54.582 52.037 -0.198 0.000 0.624 16 A CB -1.134 17.831 19.000 -0.057 0.000 0.822 16 A HN 0.444 nan 8.150 nan 0.000 0.444 17 T N 0.458 114.971 114.554 -0.069 0.000 2.643 17 T HA -0.026 4.324 4.350 -0.000 0.000 0.264 17 T C 2.283 176.969 174.700 -0.023 0.000 1.045 17 T CA 1.856 63.929 62.100 -0.045 0.000 1.155 17 T CB -0.730 68.119 68.868 -0.033 0.000 0.863 17 T HN 0.639 nan 8.240 nan 0.000 0.420 18 A N 0.856 123.680 122.820 0.007 0.000 1.927 18 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 18 A C 2.168 179.846 177.584 0.156 0.000 1.185 18 A CA 1.797 53.884 52.037 0.083 0.000 0.639 18 A CB -1.132 17.948 19.000 0.134 0.000 0.820 18 A HN 0.524 nan 8.150 nan 0.000 0.451 19 Y N 0.366 120.583 120.300 -0.138 0.000 2.163 19 Y HA -0.120 4.429 4.550 -0.000 0.000 0.288 19 Y C 2.497 178.286 175.900 -0.185 0.000 1.136 19 Y CA 0.863 58.838 58.100 -0.208 0.000 1.147 19 Y CB -0.836 37.445 38.460 -0.299 0.000 0.987 19 Y HN 0.329 nan 8.280 nan 0.000 0.509 20 N N 0.305 119.013 118.700 0.014 0.000 2.149 20 N HA -0.164 4.576 4.740 -0.000 0.000 0.188 20 N C 1.951 177.401 175.510 -0.100 0.000 1.019 20 N CA 1.242 54.257 53.050 -0.058 0.000 0.857 20 N CB -0.583 37.869 38.487 -0.059 0.000 0.997 20 N HN 0.332 nan 8.380 nan 0.000 0.426 21 L N 0.467 121.640 121.223 -0.083 0.000 2.027 21 L HA -0.096 4.244 4.340 -0.000 0.000 0.206 21 L C 2.535 179.354 176.870 -0.085 0.000 1.074 21 L CA 0.906 55.685 54.840 -0.102 0.000 0.745 21 L CB -0.343 41.669 42.059 -0.079 0.000 0.898 21 L HN 0.049 nan 8.230 nan 0.000 0.433 22 R N 0.957 121.419 120.500 -0.062 0.000 2.105 22 R HA -0.164 4.176 4.340 -0.000 0.000 0.239 22 R C 1.722 177.964 176.300 -0.096 0.000 1.135 22 R CA 1.939 57.996 56.100 -0.071 0.000 0.967 22 R CB -0.747 29.499 30.300 -0.089 0.000 0.861 22 R HN 0.477 nan 8.270 nan 0.000 0.442 23 N N -0.903 117.726 118.700 -0.119 0.000 2.354 23 N HA -0.061 4.679 4.740 -0.000 0.000 0.179 23 N C 0.867 176.315 175.510 -0.103 0.000 1.021 23 N CA 0.564 53.544 53.050 -0.117 0.000 0.887 23 N CB 0.037 38.448 38.487 -0.128 0.000 0.974 23 N HN 0.062 nan 8.380 nan 0.000 0.437 24 L N 0.030 121.177 121.223 -0.127 0.000 2.341 24 L HA 0.215 4.555 4.340 -0.000 0.000 0.214 24 L C 0.410 177.215 176.870 -0.108 0.000 1.115 24 L CA 1.164 55.914 54.840 -0.149 0.000 0.820 24 L CB 0.091 41.998 42.059 -0.252 0.000 0.944 24 L HN 0.162 nan 8.230 nan 0.000 0.452 25 M N -1.111 118.436 119.600 -0.087 0.000 2.167 25 M HA 0.207 4.687 4.480 -0.000 0.000 0.218 25 M C -1.947 174.329 176.300 -0.039 0.000 0.968 25 M CA -1.212 54.053 55.300 -0.059 0.000 1.004 25 M CB 1.680 34.243 32.600 -0.062 0.000 2.485 25 M HN -0.188 nan 8.290 nan 0.000 0.404 26 P HA -0.166 nan 4.420 nan 0.000 0.217 26 P C 0.450 177.745 177.300 -0.008 0.000 1.148 26 P CA 1.449 64.535 63.100 -0.022 0.000 0.828 26 P CB 0.030 31.718 31.700 -0.020 0.000 0.783 27 D N -1.886 118.512 120.400 -0.003 0.000 2.388 27 D HA 0.011 4.651 4.640 -0.000 0.000 0.221 27 D C 0.368 176.679 176.300 0.019 0.000 1.133 27 D CA -0.216 53.788 54.000 0.007 0.000 0.831 27 D CB -0.672 40.132 40.800 0.007 0.000 0.962 27 D HN 0.145 nan 8.370 nan 0.000 0.502 28 L N 0.642 121.876 121.223 0.019 0.000 2.397 28 L HA 0.217 4.557 4.340 -0.000 0.000 0.271 28 L C 0.293 177.204 176.870 0.067 0.000 1.148 28 L CA -0.299 54.566 54.840 0.042 0.000 0.825 28 L CB 0.874 42.944 42.059 0.018 0.000 1.117 28 L HN -0.194 nan 8.230 nan 0.000 0.456 29 K N 5.482 125.951 120.400 0.115 0.000 2.262 29 K HA 0.459 4.779 4.320 -0.000 0.000 0.282 29 K C -0.946 175.823 176.600 0.282 0.000 1.066 29 K CA -0.134 56.246 56.287 0.155 0.000 0.901 29 K CB 0.983 33.536 32.500 0.089 0.000 1.089 29 K HN 0.439 nan 8.250 nan 0.000 0.476 30 I N 2.508 123.203 120.570 0.209 0.000 2.389 30 I HA 0.187 4.357 4.170 -0.000 0.000 0.288 30 I C -0.332 175.914 176.117 0.215 0.000 0.999 30 I CA -0.592 60.822 61.300 0.190 0.000 1.129 30 I CB 2.127 40.199 38.000 0.119 0.000 1.288 30 I HN 0.437 nan 8.210 nan 0.000 0.444 31 T N 7.183 121.870 114.554 0.222 0.000 2.779 31 T HA 0.486 4.836 4.350 -0.000 0.000 0.280 31 T C -0.519 174.266 174.700 0.141 0.000 0.987 31 T CA -0.364 61.861 62.100 0.208 0.000 0.966 31 T CB 1.401 70.436 68.868 0.278 0.000 0.933 31 T HN 0.316 nan 8.240 nan 0.000 0.442 32 L N 5.069 126.403 121.223 0.184 0.000 2.280 32 L HA 0.605 4.945 4.340 -0.000 0.000 0.287 32 L C -0.964 176.009 176.870 0.170 0.000 1.023 32 L CA -0.681 54.281 54.840 0.203 0.000 0.819 32 L CB 0.428 42.659 42.059 0.288 0.000 1.212 32 L HN 0.630 nan 8.230 nan 0.000 0.420 33 I N 4.241 124.858 120.570 0.078 0.000 2.321 33 I HA 0.416 4.586 4.170 -0.000 0.000 0.291 33 I C 0.009 176.148 176.117 0.036 0.000 0.998 33 I CA -0.005 61.289 61.300 -0.010 0.000 1.227 33 I CB 1.594 39.579 38.000 -0.024 0.000 1.368 33 I HN 0.529 nan 8.210 nan 0.000 0.466 34 S N 3.199 118.904 115.700 0.008 0.000 2.541 34 S HA 0.281 4.751 4.470 -0.000 0.000 0.271 34 S C 0.053 174.660 174.600 0.011 0.000 1.133 34 S CA -0.740 57.508 58.200 0.080 0.000 0.876 34 S CB 1.423 64.779 63.200 0.259 0.000 1.105 34 S HN 0.715 nan 8.310 nan 0.000 0.470 35 D N 2.414 122.816 120.400 0.004 0.000 2.213 35 D HA 0.044 4.684 4.640 -0.000 0.000 0.205 35 D C 0.524 176.824 176.300 0.000 0.000 0.961 35 D CA 0.656 54.647 54.000 -0.014 0.000 0.853 35 D CB -0.064 40.723 40.800 -0.021 0.000 0.967 35 D HN 0.331 nan 8.370 nan 0.000 0.496 36 R N 0.993 121.477 120.500 -0.027 0.000 2.357 36 R HA 0.236 4.576 4.340 -0.000 0.000 0.296 36 R C -1.640 174.674 176.300 0.023 0.000 1.052 36 R CA -1.415 54.610 56.100 -0.126 0.000 0.988 36 R CB 1.095 31.117 30.300 -0.464 0.000 1.025 36 R HN 0.081 nan 8.270 nan 0.000 0.469 37 P HA -0.074 nan 4.420 nan 0.000 0.242 37 P C -0.944 176.514 177.300 0.263 0.000 1.197 37 P CA 0.945 64.227 63.100 0.303 0.000 0.765 37 P CB 0.129 32.014 31.700 0.308 0.000 0.936 38 Y N -2.468 117.950 120.300 0.196 0.000 2.605 38 Y HA 0.665 5.215 4.550 -0.000 0.000 0.343 38 Y C -0.982 175.031 175.900 0.188 0.000 1.036 38 Y CA -2.570 55.630 58.100 0.166 0.000 1.065 38 Y CB 0.458 39.053 38.460 0.225 0.000 1.288 38 Y HN -0.272 nan 8.280 nan 0.000 0.481 39 F N 2.079 122.160 119.950 0.219 0.000 2.411 39 F HA 0.763 5.290 4.527 -0.000 0.000 0.355 39 F C 0.193 176.240 175.800 0.411 0.000 1.117 39 F CA -0.660 57.456 58.000 0.195 0.000 1.139 39 F CB 0.874 39.927 39.000 0.088 0.000 1.120 39 F HN 0.842 nan 8.300 nan 0.000 0.493 40 G N 5.776 114.404 108.800 -0.287 0.000 2.335 40 G HA2 0.290 4.250 3.960 -0.000 0.000 0.316 40 G HA3 0.290 4.250 3.960 -0.000 0.000 0.316 40 G C -1.495 173.094 174.900 -0.518 0.000 1.129 40 G CA -0.562 44.560 45.100 0.037 0.000 0.899 40 G HN 0.671 nan 8.290 nan 0.000 0.448 41 F N 4.270 124.065 119.950 -0.257 0.000 2.600 41 F HA 0.192 4.719 4.527 -0.000 0.000 0.345 41 F C 2.059 177.583 175.800 -0.460 0.000 1.271 41 F CA -0.612 57.255 58.000 -0.221 0.000 1.138 41 F CB -0.046 39.005 39.000 0.084 0.000 1.449 41 F HN 0.536 nan 8.300 nan 0.000 0.645 42 T N 2.509 116.366 114.554 -1.161 0.000 2.685 42 T HA -0.167 4.183 4.350 -0.000 0.000 0.268 42 T C -0.661 173.416 174.700 -1.038 0.000 1.034 42 T CA 1.110 62.234 62.100 -1.627 0.000 1.149 42 T CB -1.439 66.858 68.868 -0.951 0.000 0.860 42 T HN 0.356 nan 8.240 nan 0.000 0.449 43 P HA 0.265 nan 4.420 nan 0.000 0.236 43 P C 0.744 177.964 177.300 -0.134 0.000 1.172 43 P CA 0.738 63.503 63.100 -0.558 0.000 0.759 43 P CB -0.297 30.991 31.700 -0.686 0.000 0.843 44 A N -2.485 120.320 122.820 -0.025 0.000 2.470 44 A HA 0.194 4.514 4.320 -0.000 0.000 0.251 44 A C 1.205 179.148 177.584 0.598 0.000 1.245 44 A CA -0.178 52.041 52.037 0.304 0.000 0.932 44 A CB -0.780 18.418 19.000 0.330 0.000 1.037 44 A HN -0.058 nan 8.150 nan 0.000 0.522 45 F N 1.093 121.170 119.950 0.212 0.000 2.146 45 F HA 0.020 4.547 4.527 -0.000 0.000 0.298 45 F C -0.519 175.428 175.800 0.244 0.000 1.096 45 F CA 0.831 58.955 58.000 0.206 0.000 1.275 45 F CB -1.927 37.155 39.000 0.137 0.000 1.008 45 F HN 0.177 nan 8.300 nan 0.000 0.480 46 P HA -0.143 nan 4.420 nan 0.000 0.216 46 P C 1.102 178.548 177.300 0.243 0.000 1.150 46 P CA 1.821 65.134 63.100 0.354 0.000 0.837 46 P CB -0.220 31.644 31.700 0.273 0.000 0.786 47 H N -1.514 117.708 119.070 0.253 0.000 2.423 47 H HA -0.034 4.522 4.556 -0.000 0.000 0.297 47 H C 1.829 177.264 175.328 0.178 0.000 1.075 47 H CA 0.700 56.886 56.048 0.230 0.000 1.342 47 H CB -1.215 28.775 29.762 0.380 0.000 1.395 47 H HN 0.020 nan 8.280 nan 0.000 0.530 48 L N 0.678 122.119 121.223 0.363 0.000 2.046 48 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 48 L C 2.396 179.355 176.870 0.148 0.000 1.077 48 L CA 1.648 56.629 54.840 0.235 0.000 0.747 48 L CB -0.886 41.285 42.059 0.188 0.000 0.896 48 L HN 0.275 nan 8.230 nan 0.000 0.432 49 A N -0.890 122.029 122.820 0.167 0.000 1.883 49 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 49 A C 2.133 179.773 177.584 0.092 0.000 1.186 49 A CA 2.146 54.284 52.037 0.168 0.000 0.624 49 A CB -0.574 18.596 19.000 0.284 0.000 0.822 49 A HN 0.468 nan 8.150 nan 0.000 0.444 50 M N -1.393 118.154 119.600 -0.088 0.000 2.630 50 M HA 0.065 4.545 4.480 -0.000 0.000 0.254 50 M C 1.547 177.577 176.300 -0.450 0.000 1.092 50 M CA 0.958 55.960 55.300 -0.497 0.000 1.087 50 M CB -1.321 30.486 32.600 -1.321 0.000 1.453 50 M HN 0.875 nan 8.290 nan 0.000 0.509 51 G N -1.117 107.616 108.800 -0.112 0.000 2.136 51 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.242 51 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.242 51 G C 0.110 175.192 174.900 0.304 0.000 0.989 51 G CA 0.061 45.215 45.100 0.091 0.000 0.682 51 G HN 0.537 nan 8.290 nan 0.000 0.522 52 W N 0.329 121.749 121.300 0.199 0.000 3.330 52 W HA 0.579 5.239 4.660 0.000 0.000 0.348 52 W C 1.165 177.799 176.519 0.193 0.000 1.205 52 W CA -0.646 56.818 57.345 0.199 0.000 1.841 52 W CB -0.035 29.568 29.460 0.239 0.000 1.084 52 W HN 0.231 nan 8.180 nan 0.000 0.665 53 R N -0.237 120.485 120.500 0.370 0.000 2.604 53 R HA 0.266 4.606 4.340 -0.000 0.000 0.270 53 R C -0.465 175.960 176.300 0.208 0.000 1.052 53 R CA -0.815 55.443 56.100 0.264 0.000 0.902 53 R CB 2.341 32.799 30.300 0.263 0.000 1.233 53 R HN -0.241 nan 8.270 nan 0.000 0.455 54 K N 2.249 122.747 120.400 0.164 0.000 2.205 54 K HA 0.138 4.458 4.320 -0.000 0.000 0.279 54 K C 0.553 177.241 176.600 0.147 0.000 1.027 54 K CA -0.244 56.132 56.287 0.149 0.000 0.932 54 K CB 0.662 33.231 32.500 0.116 0.000 1.032 54 K HN 0.441 nan 8.250 nan 0.000 0.466 55 F N 2.796 122.751 119.950 0.009 0.000 2.154 55 F HA -0.221 4.306 4.527 -0.000 0.000 0.301 55 F C 1.425 177.207 175.800 -0.030 0.000 1.087 55 F CA 1.730 59.706 58.000 -0.041 0.000 1.274 55 F CB 0.240 39.166 39.000 -0.123 0.000 1.009 55 F HN 0.667 nan 8.300 nan 0.000 0.485 56 E N -0.298 119.864 120.200 -0.065 0.000 2.478 56 E HA -0.154 4.196 4.350 -0.000 0.000 0.198 56 E C 1.270 177.789 176.600 -0.135 0.000 1.046 56 E CA 0.641 56.949 56.400 -0.154 0.000 0.870 56 E CB -0.114 29.595 29.700 0.015 0.000 0.818 56 E HN 0.518 nan 8.360 nan 0.000 0.527 57 D N 0.314 120.663 120.400 -0.085 0.000 2.305 57 D HA -0.028 4.612 4.640 -0.000 0.000 0.206 57 D C 1.665 177.939 176.300 -0.044 0.000 0.974 57 D CA 0.666 54.645 54.000 -0.035 0.000 0.871 57 D CB 0.349 41.161 40.800 0.020 0.000 0.947 57 D HN 0.357 nan 8.370 nan 0.000 0.516 58 I N -1.619 118.898 120.570 -0.088 0.000 3.974 58 I HA 0.224 4.394 4.170 -0.000 0.000 0.334 58 I C -0.064 176.047 176.117 -0.011 0.000 1.437 58 I CA -0.377 60.939 61.300 0.028 0.000 1.113 58 I CB 0.398 38.514 38.000 0.194 0.000 1.063 58 I HN -0.245 nan 8.210 nan 0.000 0.400 59 S N 0.102 115.679 115.700 -0.205 0.000 2.595 59 S HA 0.826 5.296 4.470 -0.000 0.000 0.281 59 S C -0.752 173.839 174.600 -0.016 0.000 1.117 59 S CA -0.630 57.458 58.200 -0.187 0.000 0.873 59 S CB 2.495 65.152 63.200 -0.906 0.000 1.108 59 S HN 0.013 nan 8.310 nan 0.000 0.477 60 V N 1.863 121.879 119.914 0.172 0.000 2.577 60 V HA 0.513 4.633 4.120 -0.000 0.000 0.303 60 V C -2.789 173.403 176.094 0.163 0.000 1.042 60 V CA -2.084 60.295 62.300 0.131 0.000 0.872 60 V CB 1.616 33.511 31.823 0.120 0.000 0.998 60 V HN 0.802 nan 8.190 nan 0.000 0.423 61 P HA 0.252 nan 4.420 nan 0.000 0.271 61 P C 0.707 178.010 177.300 0.005 0.000 1.233 61 P CA 0.094 63.260 63.100 0.110 0.000 0.764 61 P CB 0.675 32.428 31.700 0.089 0.000 0.825 62 L N 2.514 123.675 121.223 -0.103 0.000 2.341 62 L HA -0.061 4.279 4.340 -0.000 0.000 0.214 62 L C 2.249 178.871 176.870 -0.413 0.000 1.115 62 L CA 1.022 55.629 54.840 -0.388 0.000 0.820 62 L CB -0.569 40.970 42.059 -0.866 0.000 0.944 62 L HN 0.378 nan 8.230 nan 0.000 0.452 63 A N 1.218 123.946 122.820 -0.154 0.000 1.873 63 A HA -0.087 4.233 4.320 -0.000 0.000 0.215 63 A C -0.100 177.504 177.584 0.033 0.000 1.186 63 A CA 1.432 53.524 52.037 0.092 0.000 0.616 63 A CB -1.704 17.430 19.000 0.224 0.000 0.823 63 A HN 0.298 nan 8.150 nan 0.000 0.442 64 P HA 0.033 nan 4.420 nan 0.000 0.236 64 P C 1.294 178.531 177.300 -0.104 0.000 1.177 64 P CA 0.318 63.395 63.100 -0.038 0.000 0.773 64 P CB 0.125 31.808 31.700 -0.029 0.000 0.878 65 L N -0.814 120.337 121.223 -0.119 0.000 2.116 65 L HA 0.063 4.403 4.340 -0.000 0.000 0.200 65 L C 2.174 178.894 176.870 -0.249 0.000 1.084 65 L CA 1.404 56.134 54.840 -0.183 0.000 0.766 65 L CB -1.290 40.719 42.059 -0.084 0.000 0.930 65 L HN -0.233 nan 8.230 nan 0.000 0.453 66 L N 0.147 121.306 121.223 -0.107 0.000 2.051 66 L HA -0.202 4.138 4.340 -0.000 0.000 0.214 66 L C -0.198 176.634 176.870 -0.064 0.000 1.076 66 L CA 1.560 56.398 54.840 -0.003 0.000 0.758 66 L CB -2.187 39.909 42.059 0.061 0.000 0.890 66 L HN 0.262 nan 8.230 nan 0.000 0.433 67 P HA -0.233 nan 4.420 nan 0.000 0.218 67 P C 1.196 178.374 177.300 -0.204 0.000 1.152 67 P CA 1.544 64.591 63.100 -0.088 0.000 0.857 67 P CB -0.089 31.572 31.700 -0.066 0.000 0.787 68 K N -1.797 118.355 120.400 -0.412 0.000 2.360 68 K HA -0.079 4.241 4.320 -0.000 0.000 0.201 68 K C 0.944 177.147 176.600 -0.661 0.000 1.046 68 K CA 1.052 56.974 56.287 -0.608 0.000 0.945 68 K CB -0.434 31.533 32.500 -0.888 0.000 0.750 68 K HN 0.312 nan 8.250 nan 0.000 0.464 69 F N 0.640 120.500 119.950 -0.149 0.000 2.668 69 F HA 0.228 4.755 4.527 -0.000 0.000 0.301 69 F C -0.058 175.669 175.800 -0.122 0.000 1.106 69 F CA -0.800 57.084 58.000 -0.193 0.000 1.289 69 F CB 0.114 38.902 39.000 -0.354 0.000 1.006 69 F HN -0.062 nan 8.300 nan 0.000 0.535 70 N N 1.614 120.319 118.700 0.008 0.000 2.721 70 N HA -0.213 4.527 4.740 -0.000 0.000 0.249 70 N C -0.534 175.010 175.510 0.056 0.000 1.072 70 N CA 0.740 53.801 53.050 0.019 0.000 0.710 70 N CB -1.530 36.967 38.487 0.015 0.000 0.993 70 N HN 0.401 nan 8.380 nan 0.000 0.547 71 I N 0.654 121.272 120.570 0.080 0.000 2.339 71 I HA 0.124 4.294 4.170 -0.000 0.000 0.290 71 I C 0.870 177.072 176.117 0.141 0.000 0.994 71 I CA -0.485 60.891 61.300 0.126 0.000 1.191 71 I CB 1.597 39.700 38.000 0.171 0.000 1.343 71 I HN -0.029 nan 8.210 nan 0.000 0.458 72 E N 6.555 126.845 120.200 0.150 0.000 2.316 72 E HA 0.167 4.517 4.350 -0.000 0.000 0.275 72 E C -1.492 175.252 176.600 0.241 0.000 1.029 72 E CA -0.262 56.233 56.400 0.157 0.000 0.871 72 E CB 1.056 30.829 29.700 0.122 0.000 1.022 72 E HN 0.424 nan 8.360 nan 0.000 0.418 73 F N 5.617 125.601 119.950 0.056 0.000 2.444 73 F HA 0.448 4.975 4.527 -0.000 0.000 0.342 73 F C -0.799 175.031 175.800 0.049 0.000 1.121 73 F CA -0.848 57.188 58.000 0.059 0.000 0.997 73 F CB 0.745 39.780 39.000 0.059 0.000 1.130 73 F HN 0.329 nan 8.300 nan 0.000 0.454 74 I N 5.712 125.951 120.570 -0.550 0.000 2.354 74 I HA 0.165 4.335 4.170 -0.000 0.000 0.286 74 I C -0.386 175.198 176.117 -0.888 0.000 1.007 74 I CA -0.711 60.260 61.300 -0.548 0.000 1.167 74 I CB 1.298 39.167 38.000 -0.218 0.000 1.320 74 I HN 0.538 nan 8.210 nan 0.000 0.458 75 N N 7.039 125.244 118.700 -0.825 0.000 3.245 75 N HA 0.169 4.909 4.740 -0.000 0.000 0.296 75 N C -0.803 174.570 175.510 -0.228 0.000 1.254 75 N CA 0.273 52.994 53.050 -0.549 0.000 1.190 75 N CB 0.054 38.392 38.487 -0.249 0.000 1.460 75 N HN 0.584 nan 8.380 nan 0.000 0.538 76 E N 0.000 120.082 120.200 -0.198 0.000 2.390 76 E HA 0.177 4.527 4.350 -0.000 0.000 0.277 76 E C -1.146 175.410 176.600 -0.074 0.000 0.939 76 E CA -0.881 55.457 56.400 -0.104 0.000 0.769 76 E CB 2.085 31.728 29.700 -0.095 0.000 1.251 76 E HN 0.134 nan 8.360 nan 0.000 0.450 77 K N 1.240 121.613 120.400 -0.045 0.000 2.276 77 K HA 0.445 4.765 4.320 -0.000 0.000 0.283 77 K C -0.651 175.932 176.600 -0.028 0.000 1.044 77 K CA -0.208 56.060 56.287 -0.031 0.000 0.944 77 K CB 0.893 33.380 32.500 -0.021 0.000 1.012 77 K HN 0.570 nan 8.250 nan 0.000 0.472 78 A N 4.059 126.864 122.820 -0.024 0.000 2.450 78 A HA 0.075 4.395 4.320 -0.000 0.000 0.255 78 A C 0.570 178.145 177.584 -0.015 0.000 1.096 78 A CA -0.129 51.897 52.037 -0.019 0.000 0.778 78 A CB 0.417 19.404 19.000 -0.021 0.000 1.031 78 A HN 0.950 nan 8.150 nan 0.000 0.494 79 E N 0.749 120.943 120.200 -0.011 0.000 2.175 79 E HA 0.059 4.409 4.350 -0.000 0.000 0.195 79 E C 0.518 177.114 176.600 -0.007 0.000 0.934 79 E CA 1.332 57.727 56.400 -0.008 0.000 0.870 79 E CB 0.309 30.006 29.700 -0.006 0.000 0.838 79 E HN 0.809 nan 8.360 nan 0.000 0.474 80 S N -0.261 115.436 115.700 -0.004 0.000 2.588 80 S HA 0.662 5.132 4.470 -0.000 0.000 0.275 80 S C -0.611 173.990 174.600 0.001 0.000 1.130 80 S CA -0.869 57.328 58.200 -0.004 0.000 0.855 80 S CB 1.674 64.873 63.200 -0.002 0.000 1.116 80 S HN 0.037 nan 8.310 nan 0.000 0.472 81 I N 1.669 122.236 120.570 -0.005 0.000 2.436 81 I HA 0.397 4.567 4.170 -0.000 0.000 0.289 81 I C -1.192 174.921 176.117 -0.007 0.000 1.010 81 I CA -0.383 60.920 61.300 0.007 0.000 1.098 81 I CB 1.927 39.913 38.000 -0.024 0.000 1.266 81 I HN 0.662 nan 8.210 nan 0.000 0.434 82 D N 8.686 129.096 120.400 0.016 0.000 2.473 82 D HA 0.284 4.924 4.640 -0.000 0.000 0.226 82 D C -1.637 174.613 176.300 -0.082 0.000 1.089 82 D CA -2.334 51.645 54.000 -0.035 0.000 0.883 82 D CB 1.493 42.277 40.800 -0.026 0.000 1.029 82 D HN 0.183 nan 8.370 nan 0.000 0.517 83 P HA -0.071 nan 4.420 nan 0.000 0.223 83 P C 0.438 177.543 177.300 -0.326 0.000 1.151 83 P CA 0.649 63.474 63.100 -0.459 0.000 0.787 83 P CB 0.768 31.700 31.700 -1.281 0.000 0.788 84 D N 0.783 121.089 120.400 -0.157 0.000 2.091 84 D HA -0.050 4.590 4.640 -0.000 0.000 0.199 84 D C 2.116 178.376 176.300 -0.067 0.000 0.980 84 D CA 1.563 55.554 54.000 -0.016 0.000 0.831 84 D CB -1.017 39.798 40.800 0.024 0.000 0.987 84 D HN 0.081 nan 8.370 nan 0.000 0.460 85 A N 0.342 123.108 122.820 -0.090 0.000 2.209 85 A HA -0.078 4.242 4.320 -0.000 0.000 0.212 85 A C 0.290 177.750 177.584 -0.207 0.000 1.158 85 A CA 0.267 52.240 52.037 -0.106 0.000 0.742 85 A CB -0.370 18.588 19.000 -0.070 0.000 0.790 85 A HN 0.161 nan 8.150 nan 0.000 0.472 86 N N 0.300 118.803 118.700 -0.328 0.000 2.714 86 N HA -0.125 4.615 4.740 -0.000 0.000 0.253 86 N C -0.202 174.835 175.510 -0.789 0.000 1.024 86 N CA 1.575 54.123 53.050 -0.836 0.000 0.726 86 N CB -1.749 36.266 38.487 -0.786 0.000 0.908 86 N HN 0.864 nan 8.380 nan 0.000 0.542 87 T N -4.121 110.315 114.554 -0.197 0.000 2.933 87 T HA 0.680 5.030 4.350 -0.000 0.000 0.305 87 T C -0.292 174.542 174.700 0.223 0.000 1.092 87 T CA -0.807 61.339 62.100 0.077 0.000 1.008 87 T CB 2.496 71.368 68.868 0.007 0.000 1.102 87 T HN -0.110 nan 8.240 nan 0.000 0.469 88 V N 2.440 122.478 119.914 0.207 0.000 2.513 88 V HA 0.646 4.766 4.120 -0.000 0.000 0.299 88 V C 0.084 176.213 176.094 0.058 0.000 1.035 88 V CA -0.640 61.722 62.300 0.103 0.000 0.889 88 V CB 1.959 33.816 31.823 0.057 0.000 0.988 88 V HN 1.158 nan 8.190 nan 0.000 0.440 89 T N 2.655 117.227 114.554 0.031 0.000 2.770 89 T HA 0.469 4.819 4.350 -0.000 0.000 0.283 89 T C 0.265 174.967 174.700 0.005 0.000 0.988 89 T CA -0.511 61.599 62.100 0.017 0.000 0.957 89 T CB 1.291 70.165 68.868 0.011 0.000 0.930 89 T HN 0.903 nan 8.240 nan 0.000 0.443 90 T N 0.795 115.348 114.554 -0.000 0.000 2.788 90 T HA 0.210 4.560 4.350 -0.000 0.000 0.280 90 T C 1.368 176.061 174.700 -0.011 0.000 0.984 90 T CA -0.561 61.532 62.100 -0.012 0.000 0.972 90 T CB 0.860 69.714 68.868 -0.023 0.000 1.039 90 T HN 0.525 nan 8.240 nan 0.000 0.530 91 Q N 0.106 119.896 119.800 -0.016 0.000 2.224 91 Q HA -0.089 4.251 4.340 -0.000 0.000 0.203 91 Q C 2.261 178.255 176.000 -0.011 0.000 0.970 91 Q CA 1.583 57.379 55.803 -0.013 0.000 0.865 91 Q CB -0.366 28.364 28.738 -0.014 0.000 0.922 91 Q HN 0.893 nan 8.270 nan 0.000 0.445 92 S N -1.935 113.757 115.700 -0.013 0.000 2.515 92 S HA 0.093 4.563 4.470 -0.000 0.000 0.231 92 S C 1.416 176.012 174.600 -0.007 0.000 0.987 92 S CA 0.576 58.770 58.200 -0.011 0.000 0.936 92 S CB 0.257 63.449 63.200 -0.014 0.000 0.766 92 S HN 0.602 nan 8.310 nan 0.000 0.528 93 G N 1.197 109.994 108.800 -0.005 0.000 2.179 93 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.220 93 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.220 93 G C -0.083 174.817 174.900 0.001 0.000 0.990 93 G CA 0.007 45.106 45.100 -0.002 0.000 0.646 93 G HN 0.792 nan 8.290 nan 0.000 0.517 94 K N 1.153 121.553 120.400 0.000 0.000 2.379 94 K HA 0.439 4.759 4.320 -0.000 0.000 0.284 94 K C 0.100 176.709 176.600 0.014 0.000 1.044 94 K CA -0.283 56.007 56.287 0.005 0.000 0.974 94 K CB 0.315 32.815 32.500 0.001 0.000 0.962 94 K HN 0.136 nan 8.250 nan 0.000 0.474 95 K N 4.590 125.002 120.400 0.019 0.000 2.227 95 K HA 0.238 4.558 4.320 -0.000 0.000 0.280 95 K C -0.833 175.796 176.600 0.049 0.000 1.041 95 K CA -0.621 55.685 56.287 0.030 0.000 0.905 95 K CB 0.675 33.188 32.500 0.021 0.000 1.068 95 K HN 0.468 nan 8.250 nan 0.000 0.470 96 I N 2.670 123.285 120.570 0.073 0.000 2.378 96 I HA 0.171 4.341 4.170 -0.000 0.000 0.291 96 I C 0.054 176.256 176.117 0.143 0.000 0.992 96 I CA -0.547 60.823 61.300 0.117 0.000 1.154 96 I CB 1.735 39.813 38.000 0.129 0.000 1.315 96 I HN 0.486 nan 8.210 nan 0.000 0.448 97 E N 5.137 125.426 120.200 0.149 0.000 2.331 97 E HA 0.356 4.706 4.350 -0.000 0.000 0.272 97 E C -1.452 175.256 176.600 0.180 0.000 1.036 97 E CA -0.281 56.182 56.400 0.105 0.000 0.864 97 E CB 0.786 30.533 29.700 0.078 0.000 1.035 97 E HN 0.508 nan 8.360 nan 0.000 0.408 98 Y N 0.912 121.214 120.300 0.004 0.000 2.512 98 Y HA 0.430 4.980 4.550 -0.000 0.000 0.348 98 Y C -0.068 175.811 175.900 -0.034 0.000 0.990 98 Y CA -0.931 57.129 58.100 -0.067 0.000 1.033 98 Y CB 1.433 39.830 38.460 -0.105 0.000 1.259 98 Y HN 0.376 nan 8.280 nan 0.000 0.461 99 D N 1.310 121.792 120.400 0.137 0.000 2.262 99 D HA 0.027 4.667 4.640 -0.000 0.000 0.212 99 D C -0.696 175.511 176.300 -0.156 0.000 0.964 99 D CA 1.469 55.454 54.000 -0.026 0.000 0.875 99 D CB 0.292 41.149 40.800 0.095 0.000 0.996 99 D HN 0.519 nan 8.370 nan 0.000 0.497 100 Y N -0.505 119.999 120.300 0.340 0.000 2.534 100 Y HA 0.461 5.011 4.550 -0.000 0.000 0.345 100 Y C -0.804 175.184 175.900 0.147 0.000 1.031 100 Y CA -1.134 57.158 58.100 0.320 0.000 1.022 100 Y CB 2.141 40.718 38.460 0.194 0.000 1.292 100 Y HN -0.278 nan 8.280 nan 0.000 0.459 101 L N 2.498 123.823 121.223 0.170 0.000 2.410 101 L HA 0.809 5.149 4.340 -0.000 0.000 0.270 101 L C -1.704 175.199 176.870 0.055 0.000 0.983 101 L CA -0.690 54.023 54.840 -0.211 0.000 0.822 101 L CB 1.910 43.462 42.059 -0.845 0.000 1.285 101 L HN 0.433 nan 8.230 nan 0.000 0.409 102 V N 6.567 126.486 119.914 0.009 0.000 2.334 102 V HA 0.437 4.557 4.120 -0.000 0.000 0.281 102 V C 0.100 176.209 176.094 0.024 0.000 1.016 102 V CA -0.388 61.956 62.300 0.074 0.000 0.832 102 V CB 1.213 33.064 31.823 0.047 0.000 0.999 102 V HN 0.579 nan 8.190 nan 0.000 0.439 103 I N 4.337 124.935 120.570 0.046 0.000 2.312 103 I HA 0.576 4.746 4.170 -0.000 0.000 0.291 103 I C 0.666 176.811 176.117 0.047 0.000 1.031 103 I CA 0.124 61.437 61.300 0.021 0.000 1.293 103 I CB 1.264 39.272 38.000 0.012 0.000 1.403 103 I HN 0.686 nan 8.210 nan 0.000 0.484 104 A N 3.627 126.465 122.820 0.030 0.000 3.365 104 A HA 0.252 4.572 4.320 -0.000 0.000 0.258 104 A C 0.852 178.443 177.584 0.012 0.000 0.964 104 A CA -0.341 51.715 52.037 0.033 0.000 0.988 104 A CB -0.301 18.723 19.000 0.041 0.000 1.193 104 A HN 0.729 nan 8.150 nan 0.000 0.508 105 T N -2.828 111.724 114.554 -0.004 0.000 3.148 105 T HA 0.427 4.777 4.350 -0.000 0.000 0.253 105 T C 1.363 176.030 174.700 -0.055 0.000 1.134 105 T CA 1.108 63.194 62.100 -0.023 0.000 1.051 105 T CB -0.275 68.576 68.868 -0.027 0.000 0.959 105 T HN 2.104 nan 8.240 nan 0.000 0.525 106 G N 2.404 111.165 108.800 -0.064 0.000 2.601 106 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.252 106 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.252 106 G C -2.873 171.904 174.900 -0.204 0.000 1.294 106 G CA -0.441 44.581 45.100 -0.131 0.000 0.912 106 G HN 0.587 nan 8.290 nan 0.000 0.574 107 P HA 0.461 nan 4.420 nan 0.000 0.290 107 P C -0.841 176.266 177.300 -0.322 0.000 1.276 107 P CA -0.483 62.295 63.100 -0.538 0.000 0.808 107 P CB 1.499 32.317 31.700 -1.471 0.000 0.966 108 K N 3.870 124.158 120.400 -0.187 0.000 2.227 108 K HA 0.338 4.658 4.320 -0.000 0.000 0.280 108 K C -0.494 176.062 176.600 -0.074 0.000 1.041 108 K CA -0.515 55.715 56.287 -0.095 0.000 0.905 108 K CB 0.090 32.565 32.500 -0.042 0.000 1.068 108 K HN 0.417 nan 8.250 nan 0.000 0.470 109 L N 4.563 125.744 121.223 -0.071 0.000 2.331 109 L HA 0.280 4.620 4.340 -0.000 0.000 0.278 109 L C -0.579 176.170 176.870 -0.202 0.000 1.106 109 L CA -0.990 53.759 54.840 -0.151 0.000 0.824 109 L CB 1.315 43.226 42.059 -0.246 0.000 1.142 109 L HN 0.394 nan 8.230 nan 0.000 0.443 110 V N 3.867 123.635 119.914 -0.243 0.000 2.326 110 V HA 0.229 4.349 4.120 -0.000 0.000 0.281 110 V C -0.258 175.670 176.094 -0.278 0.000 1.015 110 V CA -0.369 61.832 62.300 -0.165 0.000 0.823 110 V CB 0.948 32.737 31.823 -0.057 0.000 1.009 110 V HN 0.414 nan 8.190 nan 0.000 0.436 111 F N 3.486 123.432 119.950 -0.007 0.000 2.652 111 F HA 0.317 4.844 4.527 -0.000 0.000 0.352 111 F C 1.737 177.506 175.800 -0.052 0.000 1.259 111 F CA -0.199 57.776 58.000 -0.041 0.000 1.249 111 F CB 0.289 39.254 39.000 -0.057 0.000 1.628 111 F HN 0.593 nan 8.300 nan 0.000 0.654 112 G N 1.473 110.292 108.800 0.031 0.000 2.470 112 G HA2 0.011 3.971 3.960 -0.000 0.000 0.220 112 G HA3 0.011 3.971 3.960 -0.000 0.000 0.220 112 G C 0.906 175.799 174.900 -0.011 0.000 1.121 112 G CA 0.471 45.571 45.100 -0.000 0.000 0.766 112 G HN 0.622 nan 8.290 nan 0.000 0.553 113 A N 0.067 122.872 122.820 -0.025 0.000 2.371 113 A HA 0.555 4.875 4.320 -0.000 0.000 0.257 113 A C 0.004 177.556 177.584 -0.053 0.000 1.089 113 A CA -0.392 51.602 52.037 -0.073 0.000 0.794 113 A CB 0.568 19.471 19.000 -0.162 0.000 1.029 113 A HN 0.202 nan 8.150 nan 0.000 0.488 114 E N 0.689 120.850 120.200 -0.065 0.000 2.265 114 E HA 0.421 4.771 4.350 -0.000 0.000 0.272 114 E C 1.068 177.625 176.600 -0.072 0.000 1.067 114 E CA 1.367 57.733 56.400 -0.055 0.000 0.900 114 E CB -0.040 29.630 29.700 -0.050 0.000 1.017 114 E HN 1.453 nan 8.360 nan 0.000 0.431 115 G N 3.836 112.595 108.800 -0.068 0.000 2.143 115 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.249 115 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.249 115 G C 0.898 175.728 174.900 -0.117 0.000 0.981 115 G CA 0.584 45.632 45.100 -0.087 0.000 0.665 115 G HN 0.602 nan 8.290 nan 0.000 0.528 116 Q N -0.161 119.576 119.800 -0.105 0.000 2.020 116 Q HA -0.091 4.249 4.340 -0.000 0.000 0.202 116 Q C 2.243 178.083 176.000 -0.267 0.000 0.982 116 Q CA 1.971 57.705 55.803 -0.115 0.000 0.838 116 Q CB -0.161 28.591 28.738 0.024 0.000 0.899 116 Q HN 0.710 nan 8.270 nan 0.000 0.423 117 E N -0.086 119.884 120.200 -0.383 0.000 2.070 117 E HA -0.252 4.098 4.350 -0.000 0.000 0.197 117 E C 1.619 177.963 176.600 -0.425 0.000 1.004 117 E CA 1.876 57.861 56.400 -0.692 0.000 0.805 117 E CB 0.143 29.537 29.700 -0.510 0.000 0.744 117 E HN 0.394 nan 8.360 nan 0.000 0.451 118 E N -0.360 119.689 120.200 -0.252 0.000 2.112 118 E HA -0.061 4.289 4.350 -0.000 0.000 0.190 118 E C 1.513 178.016 176.600 -0.161 0.000 0.979 118 E CA 1.470 57.764 56.400 -0.176 0.000 0.814 118 E CB 0.049 29.678 29.700 -0.119 0.000 0.762 118 E HN 0.334 nan 8.360 nan 0.000 0.460 119 N N -0.703 117.899 118.700 -0.163 0.000 2.499 119 N HA 0.054 4.794 4.740 -0.000 0.000 0.182 119 N C 0.327 175.736 175.510 -0.169 0.000 1.034 119 N CA 0.114 53.082 53.050 -0.137 0.000 0.882 119 N CB 0.474 38.896 38.487 -0.108 0.000 1.125 119 N HN -0.118 nan 8.380 nan 0.000 0.436 120 S N 0.372 115.962 115.700 -0.184 0.000 2.601 120 S HA 0.301 4.771 4.470 -0.000 0.000 0.271 120 S C -0.020 174.429 174.600 -0.251 0.000 1.305 120 S CA -0.754 57.333 58.200 -0.188 0.000 1.022 120 S CB 0.423 63.587 63.200 -0.060 0.000 0.940 120 S HN 0.300 nan 8.310 nan 0.000 0.525 121 T N 0.862 115.237 114.554 -0.298 0.000 2.934 121 T HA 0.712 5.062 4.350 -0.000 0.000 0.283 121 T C -0.095 174.477 174.700 -0.212 0.000 1.005 121 T CA -0.725 61.216 62.100 -0.265 0.000 1.041 121 T CB 1.341 70.046 68.868 -0.271 0.000 1.042 121 T HN 0.676 nan 8.240 nan 0.000 0.505 122 S N 0.480 116.081 115.700 -0.165 0.000 2.627 122 S HA 0.594 5.064 4.470 -0.000 0.000 0.283 122 S C 0.083 174.677 174.600 -0.009 0.000 1.127 122 S CA -1.048 57.107 58.200 -0.074 0.000 0.863 122 S CB 1.171 64.423 63.200 0.086 0.000 1.121 122 S HN 1.126 nan 8.310 nan 0.000 0.479 123 I N -1.343 119.242 120.570 0.025 0.000 3.833 123 I HA 0.427 4.597 4.170 -0.000 0.000 0.328 123 I C 1.024 177.302 176.117 0.269 0.000 1.554 123 I CA -0.480 60.886 61.300 0.110 0.000 1.116 123 I CB -0.093 37.931 38.000 0.040 0.000 1.182 123 I HN 0.554 nan 8.210 nan 0.000 0.459 124 C N 1.412 120.885 119.300 0.288 0.000 2.468 124 C HA 0.164 4.624 4.460 -0.000 0.000 0.277 124 C C 1.571 176.816 174.990 0.426 0.000 1.400 124 C CA 1.453 60.665 59.018 0.322 0.000 1.770 124 C CB -0.872 27.025 27.740 0.260 0.000 1.905 124 C HN 0.739 nan 8.230 nan 0.000 0.519 125 T N -3.294 111.491 114.554 0.386 0.000 2.916 125 T HA 0.634 4.984 4.350 -0.000 0.000 0.292 125 T C 0.919 175.558 174.700 -0.101 0.000 1.064 125 T CA 0.062 62.330 62.100 0.280 0.000 1.011 125 T CB 1.563 70.489 68.868 0.097 0.000 1.152 125 T HN 0.079 nan 8.240 nan 0.000 0.510 126 A N 0.720 123.313 122.820 -0.378 0.000 1.908 126 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 126 A C 2.044 179.437 177.584 -0.318 0.000 1.181 126 A CA 1.985 53.671 52.037 -0.585 0.000 0.627 126 A CB -1.130 17.705 19.000 -0.276 0.000 0.818 126 A HN 0.914 nan 8.150 nan 0.000 0.445 127 E N -0.601 119.461 120.200 -0.229 0.000 2.077 127 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 127 E C 2.005 178.515 176.600 -0.150 0.000 0.989 127 E CA 1.485 57.749 56.400 -0.226 0.000 0.800 127 E CB -0.364 29.182 29.700 -0.257 0.000 0.746 127 E HN 0.717 nan 8.360 nan 0.000 0.452 128 H N -0.307 118.743 119.070 -0.033 0.000 2.395 128 H HA 0.149 4.705 4.556 -0.000 0.000 0.299 128 H C 1.987 177.300 175.328 -0.026 0.000 1.070 128 H CA 1.262 57.306 56.048 -0.007 0.000 1.356 128 H CB -0.503 29.298 29.762 0.066 0.000 1.401 128 H HN 0.222 nan 8.280 nan 0.000 0.524 129 A N 1.112 123.973 122.820 0.068 0.000 1.908 129 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 129 A C 2.636 180.233 177.584 0.022 0.000 1.181 129 A CA 1.214 53.270 52.037 0.032 0.000 0.627 129 A CB -0.895 18.086 19.000 -0.032 0.000 0.818 129 A HN 0.307 nan 8.150 nan 0.000 0.445 130 L N -0.653 120.553 121.223 -0.029 0.000 2.141 130 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 130 L C 2.423 179.298 176.870 0.009 0.000 1.094 130 L CA 1.077 55.904 54.840 -0.023 0.000 0.763 130 L CB -0.486 41.522 42.059 -0.086 0.000 0.908 130 L HN 0.324 nan 8.230 nan 0.000 0.437 131 E N -0.410 119.802 120.200 0.021 0.000 2.216 131 E HA -0.095 4.255 4.350 -0.000 0.000 0.192 131 E C 2.193 178.824 176.600 0.051 0.000 0.988 131 E CA 1.210 57.630 56.400 0.032 0.000 0.834 131 E CB -0.255 29.469 29.700 0.040 0.000 0.772 131 E HN 0.445 nan 8.360 nan 0.000 0.479 132 T N 1.481 116.075 114.554 0.068 0.000 2.821 132 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 132 T C 1.900 176.695 174.700 0.158 0.000 1.046 132 T CA 1.306 63.478 62.100 0.121 0.000 1.139 132 T CB -0.101 68.826 68.868 0.099 0.000 0.871 132 T HN 0.199 nan 8.240 nan 0.000 0.454 133 Q N 0.826 120.691 119.800 0.108 0.000 2.135 133 Q HA -0.151 4.189 4.340 -0.000 0.000 0.204 133 Q C 2.183 178.224 176.000 0.067 0.000 0.981 133 Q CA 1.290 57.146 55.803 0.089 0.000 0.856 133 Q CB 0.004 28.787 28.738 0.075 0.000 0.902 133 Q HN 0.450 nan 8.270 nan 0.000 0.425 134 K N 0.175 120.610 120.400 0.059 0.000 2.025 134 K HA -0.110 4.210 4.320 -0.000 0.000 0.207 134 K C 2.066 178.690 176.600 0.041 0.000 1.049 134 K CA 1.078 57.392 56.287 0.044 0.000 0.933 134 K CB -0.044 32.477 32.500 0.034 0.000 0.714 134 K HN 0.141 nan 8.250 nan 0.000 0.438 135 K N 0.948 121.397 120.400 0.082 0.000 2.211 135 K HA -0.052 4.268 4.320 -0.000 0.000 0.203 135 K C 2.169 178.823 176.600 0.091 0.000 1.050 135 K CA 0.679 57.047 56.287 0.136 0.000 0.945 135 K CB -0.048 32.577 32.500 0.208 0.000 0.732 135 K HN 0.118 nan 8.250 nan 0.000 0.451 136 L N 0.934 122.135 121.223 -0.037 0.000 2.056 136 L HA -0.204 4.136 4.340 -0.000 0.000 0.207 136 L C 2.554 179.026 176.870 -0.662 0.000 1.078 136 L CA 0.989 55.534 54.840 -0.492 0.000 0.749 136 L CB -0.288 41.544 42.059 -0.380 0.000 0.901 136 L HN 0.177 nan 8.230 nan 0.000 0.433 137 Q N -0.047 119.611 119.800 -0.236 0.000 2.133 137 Q HA -0.298 4.042 4.340 -0.000 0.000 0.208 137 Q C 1.967 177.919 176.000 -0.081 0.000 0.991 137 Q CA 2.167 57.941 55.803 -0.047 0.000 0.867 137 Q CB -0.361 28.410 28.738 0.056 0.000 0.911 137 Q HN 0.550 nan 8.270 nan 0.000 0.417 138 E N 0.900 121.047 120.200 -0.088 0.000 2.085 138 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 138 E C 1.915 178.456 176.600 -0.099 0.000 0.994 138 E CA 1.193 57.562 56.400 -0.052 0.000 0.801 138 E CB -0.567 29.129 29.700 -0.007 0.000 0.743 138 E HN 0.266 nan 8.360 nan 0.000 0.453 139 L N -0.211 120.869 121.223 -0.239 0.000 2.046 139 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 139 L C 2.182 178.943 176.870 -0.182 0.000 1.077 139 L CA 1.864 56.544 54.840 -0.268 0.000 0.747 139 L CB -0.715 41.041 42.059 -0.504 0.000 0.896 139 L HN 0.323 nan 8.230 nan 0.000 0.432 140 Y N -0.520 119.734 120.300 -0.076 0.000 2.181 140 Y HA -0.231 4.319 4.550 -0.000 0.000 0.288 140 Y C 2.554 178.433 175.900 -0.035 0.000 1.146 140 Y CA 0.669 58.734 58.100 -0.058 0.000 1.164 140 Y CB -0.705 37.727 38.460 -0.046 0.000 0.982 140 Y HN 0.364 nan 8.280 nan 0.000 0.515 141 A N 0.400 123.284 122.820 0.107 0.000 1.873 141 A HA -0.124 4.196 4.320 -0.000 0.000 0.215 141 A C 0.866 178.469 177.584 0.033 0.000 1.186 141 A CA 1.288 53.363 52.037 0.063 0.000 0.616 141 A CB -0.436 18.591 19.000 0.046 0.000 0.823 141 A HN 0.406 nan 8.150 nan 0.000 0.442 142 N N 0.777 119.485 118.700 0.014 0.000 2.776 142 N HA 0.295 5.035 4.740 -0.000 0.000 0.245 142 N C -3.085 172.420 175.510 -0.008 0.000 1.121 142 N CA -1.224 51.828 53.050 0.003 0.000 0.852 142 N CB 1.023 39.512 38.487 0.004 0.000 1.142 142 N HN 0.088 nan 8.380 nan 0.000 0.514 143 P HA 0.012 nan 4.420 nan 0.000 0.263 143 P C 0.246 177.534 177.300 -0.020 0.000 1.175 143 P CA 0.446 63.530 63.100 -0.026 0.000 0.761 143 P CB 0.700 32.368 31.700 -0.054 0.000 0.794 144 G N 2.842 111.637 108.800 -0.008 0.000 2.649 144 G HA2 0.541 4.501 3.960 -0.000 0.000 0.290 144 G HA3 0.541 4.501 3.960 -0.000 0.000 0.290 144 G C -3.258 171.661 174.900 0.032 0.000 1.426 144 G CA -1.220 43.887 45.100 0.013 0.000 0.794 144 G HN 0.200 nan 8.290 nan 0.000 0.483 145 P HA 0.304 nan 4.420 nan 0.000 0.268 145 P C -0.364 177.002 177.300 0.110 0.000 1.204 145 P CA -0.049 63.089 63.100 0.065 0.000 0.768 145 P CB 1.520 33.257 31.700 0.061 0.000 0.842 146 V N 4.536 124.522 119.914 0.121 0.000 2.483 146 V HA 0.288 4.408 4.120 -0.000 0.000 0.295 146 V C 0.257 176.445 176.094 0.156 0.000 1.035 146 V CA -0.558 61.860 62.300 0.196 0.000 0.896 146 V CB 2.060 34.000 31.823 0.196 0.000 0.986 146 V HN 0.265 nan 8.190 nan 0.000 0.447 147 V N 6.746 126.753 119.914 0.155 0.000 2.443 147 V HA 0.553 4.673 4.120 -0.000 0.000 0.293 147 V C -0.339 175.668 176.094 -0.146 0.000 1.021 147 V CA -0.314 62.029 62.300 0.071 0.000 0.848 147 V CB 1.520 33.444 31.823 0.167 0.000 0.998 147 V HN 0.667 nan 8.190 nan 0.000 0.424 148 I N 3.225 123.625 120.570 -0.284 0.000 2.740 148 I HA 0.979 5.149 4.170 -0.000 0.000 0.303 148 I C 0.723 176.215 176.117 -1.042 0.000 1.044 148 I CA -0.197 60.779 61.300 -0.539 0.000 1.064 148 I CB 2.355 40.355 38.000 -0.001 0.000 1.249 148 I HN 0.835 nan 8.210 nan 0.000 0.433 149 G N 2.890 110.918 108.800 -1.286 0.000 2.373 149 G HA2 0.512 4.472 3.960 -0.000 0.000 0.250 149 G HA3 0.512 4.472 3.960 -0.000 0.000 0.250 149 G C -2.123 172.450 174.900 -0.545 0.000 1.304 149 G CA 0.028 44.410 45.100 -1.197 0.000 0.948 149 G HN 0.901 nan 8.290 nan 0.000 0.474 150 A N -0.117 122.615 122.820 -0.147 0.000 2.381 150 A HA 0.781 5.101 4.320 -0.000 0.000 0.299 150 A C 0.215 177.881 177.584 0.136 0.000 1.049 150 A CA -0.118 51.945 52.037 0.043 0.000 0.715 150 A CB 0.620 19.614 19.000 -0.010 0.000 1.222 150 A HN 1.952 nan 8.150 nan 0.000 0.428 151 I N -0.092 120.526 120.570 0.079 0.000 3.378 151 I HA 0.499 4.669 4.170 -0.000 0.000 0.284 151 I C -2.462 173.643 176.117 -0.021 0.000 1.157 151 I CA -2.187 59.104 61.300 -0.015 0.000 1.193 151 I CB 0.208 38.162 38.000 -0.077 0.000 1.461 151 I HN 0.255 nan 8.210 nan 0.000 0.674 152 P HA 0.167 nan 4.420 nan 0.000 0.268 152 P C 0.457 177.734 177.300 -0.040 0.000 1.204 152 P CA 0.857 63.949 63.100 -0.013 0.000 0.768 152 P CB 0.842 32.535 31.700 -0.012 0.000 0.842 153 G N 0.982 109.767 108.800 -0.024 0.000 2.176 153 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.253 153 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.253 153 G C 0.232 175.049 174.900 -0.137 0.000 0.979 153 G CA -0.168 44.903 45.100 -0.050 0.000 0.641 153 G HN 0.539 nan 8.290 nan 0.000 0.530 154 V N 1.640 121.421 119.914 -0.221 0.000 2.872 154 V HA 0.481 4.601 4.120 -0.000 0.000 0.307 154 V C 1.125 176.901 176.094 -0.531 0.000 1.072 154 V CA 0.982 62.958 62.300 -0.539 0.000 1.148 154 V CB 1.423 32.787 31.823 -0.765 0.000 0.954 154 V HN 1.186 nan 8.190 nan 0.000 0.490 158 G N 2.345 111.422 108.800 0.461 0.000 2.529 158 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.219 158 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.219 158 G C -0.865 174.258 174.900 0.372 0.000 1.177 158 G CA 1.770 47.051 45.100 0.302 0.000 0.773 158 G HN 0.243 nan 8.290 nan 0.000 0.573 159 P HA 0.040 nan 4.420 nan 0.000 0.220 159 P C 1.978 179.480 177.300 0.336 0.000 1.148 159 P CA 1.655 64.909 63.100 0.257 0.000 0.803 159 P CB -0.087 31.715 31.700 0.171 0.000 0.782 160 A N -1.649 121.378 122.820 0.346 0.000 1.929 160 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 160 A C 1.950 179.842 177.584 0.513 0.000 1.176 160 A CA 1.172 53.421 52.037 0.354 0.000 0.628 160 A CB -1.700 17.434 19.000 0.225 0.000 0.816 160 A HN 0.115 nan 8.150 nan 0.000 0.444 161 Y N 0.309 120.919 120.300 0.517 0.000 2.200 161 Y HA -0.143 4.407 4.550 -0.000 0.000 0.290 161 Y C 2.534 178.701 175.900 0.447 0.000 1.137 161 Y CA 1.613 59.956 58.100 0.405 0.000 1.163 161 Y CB -0.205 38.480 38.460 0.376 0.000 0.988 161 Y HN 0.380 nan 8.280 nan 0.000 0.518 162 E N -0.518 120.036 120.200 0.591 0.000 2.038 162 E HA -0.264 4.086 4.350 -0.000 0.000 0.195 162 E C 2.015 178.843 176.600 0.380 0.000 1.000 162 E CA 1.640 58.324 56.400 0.474 0.000 0.803 162 E CB -0.514 29.370 29.700 0.307 0.000 0.750 162 E HN 0.458 nan 8.360 nan 0.000 0.448 163 F N 1.264 121.352 119.950 0.229 0.000 2.171 163 F HA -0.180 4.347 4.527 0.000 0.000 0.300 163 F C 2.219 178.117 175.800 0.163 0.000 1.090 163 F CA 1.324 59.415 58.000 0.152 0.000 1.293 163 F CB -0.132 38.948 39.000 0.133 0.000 1.013 163 F HN -0.050 nan 8.300 nan 0.000 0.486 164 A N 0.351 123.345 122.820 0.289 0.000 1.858 164 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 164 A C 2.073 179.676 177.584 0.032 0.000 1.190 164 A CA 1.593 53.719 52.037 0.147 0.000 0.617 164 A CB -1.042 18.047 19.000 0.149 0.000 0.827 164 A HN 0.360 nan 8.150 nan 0.000 0.443 165 L N -0.935 120.351 121.223 0.105 0.000 2.141 165 L HA -0.031 4.309 4.340 -0.000 0.000 0.209 165 L C 2.573 179.578 176.870 0.226 0.000 1.094 165 L CA 1.534 56.446 54.840 0.120 0.000 0.763 165 L CB -1.232 40.881 42.059 0.091 0.000 0.908 165 L HN 0.457 nan 8.230 nan 0.000 0.437 166 M N -1.423 118.272 119.600 0.159 0.000 2.156 166 M HA -0.205 4.275 4.480 -0.000 0.000 0.264 166 M C 2.118 178.461 176.300 0.072 0.000 1.067 166 M CA 1.233 56.627 55.300 0.156 0.000 1.131 166 M CB -0.279 32.286 32.600 -0.059 0.000 1.368 166 M HN 0.174 nan 8.290 nan 0.000 0.416 167 L N -0.121 120.988 121.223 -0.191 0.000 2.017 167 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 167 L C 2.408 179.288 176.870 0.017 0.000 1.073 167 L CA 2.288 57.007 54.840 -0.201 0.000 0.745 167 L CB -1.104 40.733 42.059 -0.372 0.000 0.894 167 L HN 0.363 nan 8.230 nan 0.000 0.432 168 H N -1.947 117.117 119.070 -0.010 0.000 2.352 168 H HA -0.294 4.262 4.556 -0.000 0.000 0.299 168 H C 2.165 177.543 175.328 0.083 0.000 1.097 168 H CA 2.307 58.369 56.048 0.022 0.000 1.311 168 H CB -0.575 29.182 29.762 -0.010 0.000 1.377 168 H HN 0.498 nan 8.280 nan 0.000 0.504 169 Y N 1.068 121.370 120.300 0.002 0.000 2.114 169 Y HA -0.282 4.268 4.550 -0.000 0.000 0.282 169 Y C 2.550 178.439 175.900 -0.019 0.000 1.165 169 Y CA 2.290 60.387 58.100 -0.005 0.000 1.148 169 Y CB -0.345 38.209 38.460 0.158 0.000 0.972 169 Y HN 0.401 nan 8.280 nan 0.000 0.504 170 E N 0.323 120.611 120.200 0.146 0.000 2.072 170 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 170 E C 1.998 178.518 176.600 -0.133 0.000 0.985 170 E CA 1.725 58.168 56.400 0.071 0.000 0.801 170 E CB -0.569 29.261 29.700 0.216 0.000 0.750 170 E HN 0.627 nan 8.360 nan 0.000 0.452 171 L N 0.105 121.264 121.223 -0.106 0.000 2.201 171 L HA -0.108 4.232 4.340 -0.000 0.000 0.212 171 L C 2.569 179.341 176.870 -0.164 0.000 1.105 171 L CA 1.137 55.916 54.840 -0.103 0.000 0.775 171 L CB -0.288 41.748 42.059 -0.039 0.000 0.913 171 L HN 0.084 nan 8.230 nan 0.000 0.440 172 K N -0.106 120.129 120.400 -0.275 0.000 2.044 172 K HA -0.108 4.212 4.320 -0.000 0.000 0.204 172 K C 2.157 178.596 176.600 -0.267 0.000 1.049 172 K CA 0.745 56.861 56.287 -0.285 0.000 0.945 172 K CB 0.150 32.405 32.500 -0.409 0.000 0.724 172 K HN -0.010 nan 8.250 nan 0.000 0.440 173 K N 0.747 120.922 120.400 -0.375 0.000 2.218 173 K HA -0.151 4.169 4.320 -0.000 0.000 0.205 173 K C 1.838 178.318 176.600 -0.200 0.000 1.046 173 K CA 1.318 57.411 56.287 -0.324 0.000 0.933 173 K CB -0.048 32.214 32.500 -0.397 0.000 0.728 173 K HN 0.165 nan 8.250 nan 0.000 0.454 174 R N -1.009 119.379 120.500 -0.187 0.000 2.300 174 R HA 0.053 4.393 4.340 -0.000 0.000 0.199 174 R C 0.881 177.138 176.300 -0.072 0.000 0.920 174 R CA 0.531 56.545 56.100 -0.143 0.000 1.046 174 R CB 0.378 30.555 30.300 -0.204 0.000 0.984 174 R HN 0.267 nan 8.270 nan 0.000 0.493 175 G N 2.255 111.017 108.800 -0.062 0.000 2.198 175 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.260 175 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.260 175 G C 0.505 175.497 174.900 0.153 0.000 1.025 175 G CA 0.672 45.779 45.100 0.011 0.000 0.769 175 G HN 0.542 nan 8.290 nan 0.000 0.507 176 I N -3.836 116.793 120.570 0.098 0.000 4.147 176 I HA 0.535 4.705 4.170 -0.000 0.000 0.329 176 I C 1.835 177.972 176.117 0.033 0.000 1.424 176 I CA -0.126 61.227 61.300 0.088 0.000 1.127 176 I CB 0.345 38.356 38.000 0.018 0.000 1.128 176 I HN 0.004 nan 8.210 nan 0.000 0.417 177 R N 2.299 122.849 120.500 0.083 0.000 2.081 177 R HA -0.211 4.129 4.340 -0.000 0.000 0.235 177 R C 2.129 178.489 176.300 0.099 0.000 1.131 177 R CA 2.562 58.693 56.100 0.053 0.000 0.960 177 R CB -1.149 29.148 30.300 -0.005 0.000 0.856 177 R HN 0.754 nan 8.270 nan 0.000 0.436 178 Y N -1.020 119.278 120.300 -0.003 0.000 2.569 178 Y HA 0.033 4.583 4.550 -0.000 0.000 0.293 178 Y C 1.072 176.980 175.900 0.014 0.000 1.144 178 Y CA 0.909 59.014 58.100 0.009 0.000 1.321 178 Y CB -0.047 38.415 38.460 0.003 0.000 0.982 178 Y HN -0.066 nan 8.280 nan 0.000 0.558 179 K N 0.473 120.572 120.400 -0.501 0.000 2.358 179 K HA 0.275 4.595 4.320 -0.000 0.000 0.197 179 K C -0.681 175.812 176.600 -0.177 0.000 1.025 179 K CA 0.078 56.094 56.287 -0.452 0.000 1.104 179 K CB 1.150 33.320 32.500 -0.550 0.000 0.855 179 K HN 0.087 nan 8.250 nan 0.000 0.531 180 V N 3.573 123.434 119.914 -0.090 0.000 2.357 180 V HA 0.223 4.343 4.120 -0.000 0.000 0.281 180 V C -2.591 173.512 176.094 0.014 0.000 1.015 180 V CA -2.140 60.144 62.300 -0.026 0.000 0.827 180 V CB 1.263 33.079 31.823 -0.011 0.000 1.018 180 V HN -0.008 nan 8.190 nan 0.000 0.432 181 P HA 0.329 nan 4.420 nan 0.000 0.268 181 P C -0.551 176.778 177.300 0.050 0.000 1.205 181 P CA 0.052 63.173 63.100 0.036 0.000 0.771 181 P CB 0.515 32.236 31.700 0.034 0.000 0.858 182 M N 1.777 121.404 119.600 0.046 0.000 2.326 182 M HA 0.371 4.851 4.480 -0.000 0.000 0.306 182 M C -0.711 175.614 176.300 0.042 0.000 1.054 182 M CA -0.150 55.177 55.300 0.045 0.000 0.922 182 M CB 2.318 34.932 32.600 0.023 0.000 1.632 182 M HN 0.202 nan 8.290 nan 0.000 0.436 183 T N 1.993 116.589 114.554 0.071 0.000 2.861 183 T HA 0.569 4.919 4.350 -0.000 0.000 0.287 183 T C -1.428 173.357 174.700 0.141 0.000 1.003 183 T CA -0.508 61.653 62.100 0.102 0.000 0.977 183 T CB 1.639 70.560 68.868 0.087 0.000 0.996 183 T HN 0.433 nan 8.240 nan 0.000 0.448 184 F N 3.208 123.191 119.950 0.055 0.000 2.402 184 F HA 0.661 5.188 4.527 -0.000 0.000 0.355 184 F C -0.937 174.923 175.800 0.100 0.000 1.123 184 F CA -1.163 56.871 58.000 0.056 0.000 1.021 184 F CB 0.506 39.607 39.000 0.169 0.000 1.160 184 F HN 0.448 nan 8.300 nan 0.000 0.451 185 I N 5.471 125.835 120.570 -0.343 0.000 2.362 185 I HA 0.351 4.521 4.170 -0.000 0.000 0.289 185 I C -0.183 175.773 176.117 -0.268 0.000 0.994 185 I CA -0.355 60.841 61.300 -0.174 0.000 1.158 185 I CB 1.925 39.919 38.000 -0.009 0.000 1.315 185 I HN 0.521 nan 8.210 nan 0.000 0.451 186 T N 2.367 116.861 114.554 -0.100 0.000 2.903 186 T HA 0.260 4.610 4.350 -0.000 0.000 0.299 186 T C 0.806 175.525 174.700 0.032 0.000 1.093 186 T CA -0.469 61.620 62.100 -0.019 0.000 1.002 186 T CB 1.563 70.479 68.868 0.080 0.000 1.127 186 T HN 0.631 nan 8.240 nan 0.000 0.488 187 S N 1.795 117.552 115.700 0.094 0.000 2.496 187 S HA 0.152 4.622 4.470 -0.000 0.000 0.224 187 S C 0.544 175.100 174.600 -0.074 0.000 0.996 187 S CA -0.085 58.142 58.200 0.046 0.000 0.927 187 S CB -0.417 62.842 63.200 0.098 0.000 0.774 187 S HN 0.802 nan 8.310 nan 0.000 0.524 188 E N 3.158 123.245 120.200 -0.189 0.000 2.568 188 E HA -0.010 4.340 4.350 -0.000 0.000 0.262 188 E C -1.580 174.782 176.600 -0.397 0.000 0.961 188 E CA -0.939 55.148 56.400 -0.522 0.000 0.945 188 E CB 0.337 29.660 29.700 -0.628 0.000 0.924 188 E HN 0.237 nan 8.360 nan 0.000 0.467 189 P HA -0.131 nan 4.420 nan 0.000 0.225 189 P C -0.735 176.557 177.300 -0.013 0.000 1.148 189 P CA 1.399 64.368 63.100 -0.217 0.000 0.779 189 P CB -0.102 31.500 31.700 -0.163 0.000 0.780 190 Y N -4.929 115.274 120.300 -0.162 0.000 2.662 190 Y HA 0.485 5.035 4.550 -0.000 0.000 0.334 190 Y C -0.934 174.790 175.900 -0.295 0.000 1.185 190 Y CA -2.120 55.878 58.100 -0.169 0.000 1.074 190 Y CB -0.317 38.059 38.460 -0.140 0.000 1.330 190 Y HN -0.411 nan 8.280 nan 0.000 0.458 191 L N 3.016 124.056 121.223 -0.305 0.000 2.525 191 L HA 0.412 4.752 4.340 -0.000 0.000 0.278 191 L C 1.358 177.893 176.870 -0.559 0.000 1.218 191 L CA 1.925 56.469 54.840 -0.493 0.000 0.878 191 L CB 0.125 41.660 42.059 -0.873 0.000 1.127 191 L HN 1.235 nan 8.230 nan 0.000 0.492 192 G N 1.537 109.741 108.800 -0.993 0.000 2.147 192 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.244 192 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.244 192 G C 1.209 175.315 174.900 -1.322 0.000 1.005 192 G CA 0.552 44.692 45.100 -1.601 0.000 0.713 192 G HN 0.870 nan 8.290 nan 0.000 0.515 193 H N -0.400 117.946 119.070 -1.206 0.000 2.372 193 H HA 0.017 4.573 4.556 -0.000 0.000 0.301 193 H C 2.152 177.103 175.328 -0.628 0.000 1.065 193 H CA 1.933 57.407 56.048 -0.958 0.000 1.364 193 H CB -0.103 28.932 29.762 -1.212 0.000 1.406 193 H HN 0.773 nan 8.280 nan 0.000 0.521 194 F N -1.115 118.583 119.950 -0.421 0.000 2.825 194 F HA -0.257 4.270 4.527 -0.000 0.000 0.358 194 F C 1.706 177.466 175.800 -0.068 0.000 0.639 194 F CA 1.777 59.610 58.000 -0.278 0.000 1.153 194 F CB -1.750 37.066 39.000 -0.306 0.000 1.610 194 F HN 0.473 nan 8.300 nan 0.000 0.305 195 G N -0.813 108.050 108.800 0.105 0.000 2.157 195 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.248 195 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.248 195 G C 0.542 175.486 174.900 0.074 0.000 0.979 195 G CA 0.472 45.721 45.100 0.248 0.000 0.650 195 G HN 1.642 nan 8.290 nan 0.000 0.529 196 V N -3.061 116.749 119.914 -0.172 0.000 3.477 196 V HA 0.673 4.793 4.120 -0.000 0.000 0.297 196 V C 1.672 177.551 176.094 -0.358 0.000 1.433 196 V CA 0.996 63.188 62.300 -0.180 0.000 1.052 196 V CB 0.128 31.890 31.823 -0.102 0.000 0.895 196 V HN 2.140 nan 8.190 nan 0.000 0.438 197 G N -0.132 108.112 108.800 -0.928 0.000 2.198 197 G HA2 0.255 4.215 3.960 -0.000 0.000 0.257 197 G HA3 0.255 4.215 3.960 -0.000 0.000 0.257 197 G C 1.061 175.714 174.900 -0.412 0.000 1.042 197 G CA 0.275 44.883 45.100 -0.821 0.000 0.791 197 G HN 2.505 nan 8.290 nan 0.000 0.502 198 G N -1.512 107.023 108.800 -0.442 0.000 2.712 198 G HA2 0.166 4.126 3.960 -0.000 0.000 0.686 198 G HA3 0.166 4.126 3.960 -0.000 0.000 0.686 198 G C -0.476 174.376 174.900 -0.081 0.000 1.321 198 G CA -0.268 44.727 45.100 -0.175 0.000 0.813 198 G HN 1.326 nan 8.290 nan 0.000 0.599 199 I N 2.778 123.343 120.570 -0.007 0.000 2.466 199 I HA 0.535 4.705 4.170 -0.000 0.000 0.279 199 I C 1.241 177.411 176.117 0.088 0.000 1.033 199 I CA 0.393 61.707 61.300 0.024 0.000 1.123 199 I CB 0.847 38.861 38.000 0.023 0.000 1.237 199 I HN 1.961 nan 8.210 nan 0.000 0.460 200 G N 4.947 113.775 108.800 0.046 0.000 2.651 200 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.315 200 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.315 200 G C 0.661 175.590 174.900 0.048 0.000 1.258 200 G CA 0.408 45.541 45.100 0.055 0.000 1.002 200 G HN 0.922 nan 8.290 nan 0.000 0.551 201 A N 0.357 123.218 122.820 0.068 0.000 2.734 201 A HA 0.608 4.928 4.320 -0.000 0.000 0.279 201 A C 2.060 179.680 177.584 0.060 0.000 1.386 201 A CA 1.440 53.501 52.037 0.040 0.000 0.987 201 A CB -0.623 18.398 19.000 0.034 0.000 1.041 201 A HN 1.943 nan 8.150 nan 0.000 0.569 202 S N 0.177 115.929 115.700 0.086 0.000 2.399 202 S HA -0.223 4.247 4.470 -0.000 0.000 0.231 202 S C 1.863 176.400 174.600 -0.106 0.000 1.022 202 S CA 1.382 59.635 58.200 0.088 0.000 0.983 202 S CB -0.280 62.954 63.200 0.058 0.000 0.803 202 S HN 0.671 nan 8.310 nan 0.000 0.480 203 K N 1.543 121.876 120.400 -0.113 0.000 2.009 203 K HA -0.140 4.180 4.320 -0.000 0.000 0.210 203 K C 2.592 179.087 176.600 -0.174 0.000 1.049 203 K CA 1.411 57.605 56.287 -0.154 0.000 0.929 203 K CB -0.277 32.131 32.500 -0.153 0.000 0.714 203 K HN 0.384 nan 8.250 nan 0.000 0.440 204 R N 0.667 121.104 120.500 -0.106 0.000 2.081 204 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 204 R C 2.555 178.820 176.300 -0.059 0.000 1.131 204 R CA 1.479 57.537 56.100 -0.071 0.000 0.960 204 R CB -0.320 29.959 30.300 -0.036 0.000 0.856 204 R HN 0.319 nan 8.270 nan 0.000 0.436 205 L N 0.220 121.428 121.223 -0.025 0.000 1.994 205 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 205 L C 2.123 178.954 176.870 -0.065 0.000 1.071 205 L CA 1.406 56.252 54.840 0.010 0.000 0.745 205 L CB -0.237 41.890 42.059 0.114 0.000 0.892 205 L HN 0.041 nan 8.230 nan 0.000 0.431 206 V N -0.065 119.747 119.914 -0.169 0.000 2.407 206 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 206 V C 2.413 178.197 176.094 -0.517 0.000 1.055 206 V CA 2.060 64.117 62.300 -0.405 0.000 1.049 206 V CB -0.632 30.795 31.823 -0.659 0.000 0.662 206 V HN 0.497 nan 8.190 nan 0.000 0.455 207 E N -0.050 119.904 120.200 -0.410 0.000 2.058 207 E HA -0.257 4.093 4.350 -0.000 0.000 0.194 207 E C 2.010 178.596 176.600 -0.023 0.000 0.997 207 E CA 1.626 57.867 56.400 -0.264 0.000 0.801 207 E CB -0.205 29.400 29.700 -0.158 0.000 0.746 207 E HN 0.588 nan 8.360 nan 0.000 0.450 208 D N 0.537 120.924 120.400 -0.022 0.000 2.117 208 D HA -0.153 4.487 4.640 -0.000 0.000 0.197 208 D C 1.925 178.253 176.300 0.046 0.000 0.987 208 D CA 0.614 54.633 54.000 0.031 0.000 0.829 208 D CB -0.253 40.558 40.800 0.020 0.000 0.961 208 D HN 0.043 nan 8.370 nan 0.000 0.460 209 L N -0.281 120.948 121.223 0.009 0.000 2.083 209 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 209 L C 1.899 178.862 176.870 0.155 0.000 1.083 209 L CA 1.343 56.196 54.840 0.021 0.000 0.752 209 L CB -0.282 41.733 42.059 -0.074 0.000 0.899 209 L HN -0.090 nan 8.230 nan 0.000 0.433 210 F N -0.718 119.169 119.950 -0.105 0.000 2.234 210 F HA 0.089 4.616 4.527 -0.000 0.000 0.296 210 F C 2.457 178.269 175.800 0.019 0.000 1.089 210 F CA 0.552 58.517 58.000 -0.059 0.000 1.343 210 F CB -1.341 37.657 39.000 -0.004 0.000 1.040 210 F HN 0.149 nan 8.300 nan 0.000 0.498 211 A N -0.141 122.837 122.820 0.263 0.000 1.873 211 A HA -0.168 4.152 4.320 -0.000 0.000 0.215 211 A C 2.125 179.763 177.584 0.091 0.000 1.186 211 A CA 1.609 53.753 52.037 0.178 0.000 0.616 211 A CB -0.780 18.325 19.000 0.174 0.000 0.823 211 A HN 0.349 nan 8.150 nan 0.000 0.442 212 E N -0.313 119.930 120.200 0.071 0.000 2.085 212 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 212 E C 1.591 178.198 176.600 0.011 0.000 0.994 212 E CA 1.227 57.653 56.400 0.043 0.000 0.801 212 E CB -0.093 29.632 29.700 0.041 0.000 0.743 212 E HN 0.507 nan 8.360 nan 0.000 0.453 213 R N 0.783 121.242 120.500 -0.067 0.000 2.480 213 R HA 0.104 4.444 4.340 -0.000 0.000 0.277 213 R C 0.092 176.239 176.300 -0.256 0.000 1.008 213 R CA -0.123 55.821 56.100 -0.261 0.000 1.090 213 R CB -0.155 29.775 30.300 -0.617 0.000 1.234 213 R HN 0.054 nan 8.270 nan 0.000 0.549 214 N N 1.733 120.394 118.700 -0.065 0.000 2.699 214 N HA -0.194 4.546 4.740 -0.000 0.000 0.256 214 N C -1.052 174.425 175.510 -0.056 0.000 0.993 214 N CA 0.652 53.694 53.050 -0.013 0.000 0.759 214 N CB -0.968 37.542 38.487 0.039 0.000 0.906 214 N HN 0.373 nan 8.380 nan 0.000 0.541 215 I N 0.408 120.911 120.570 -0.112 0.000 2.312 215 I HA 0.197 4.367 4.170 -0.000 0.000 0.290 215 I C 0.548 176.703 176.117 0.063 0.000 1.008 215 I CA -0.723 60.475 61.300 -0.171 0.000 1.226 215 I CB 0.972 38.574 38.000 -0.664 0.000 1.371 215 I HN 0.047 nan 8.210 nan 0.000 0.468 216 D N 7.173 127.617 120.400 0.072 0.000 2.313 216 D HA 0.294 4.934 4.640 -0.000 0.000 0.247 216 D C -0.908 175.543 176.300 0.251 0.000 1.094 216 D CA 0.192 54.243 54.000 0.085 0.000 0.925 216 D CB 1.466 42.266 40.800 0.000 0.000 1.188 216 D HN 0.469 nan 8.370 nan 0.000 0.430 217 W N 1.037 122.427 121.300 0.149 0.000 3.033 217 W HA 0.619 5.279 4.660 -0.000 0.000 0.336 217 W C -1.694 174.881 176.519 0.094 0.000 1.173 217 W CA -1.040 56.430 57.345 0.209 0.000 1.185 217 W CB 0.339 30.022 29.460 0.372 0.000 1.425 217 W HN 0.104 nan 8.180 nan 0.000 0.536 218 I N 2.746 123.511 120.570 0.326 0.000 2.468 218 I HA 0.558 4.728 4.170 -0.000 0.000 0.284 218 I C 0.033 176.262 176.117 0.188 0.000 1.038 218 I CA -0.646 60.714 61.300 0.101 0.000 1.083 218 I CB 1.496 39.350 38.000 -0.244 0.000 1.223 218 I HN 0.559 nan 8.210 nan 0.000 0.443 219 A N 4.129 127.129 122.820 0.299 0.000 2.322 219 A HA 0.706 5.026 4.320 -0.000 0.000 0.327 219 A C 0.502 178.142 177.584 0.094 0.000 1.134 219 A CA -0.462 51.697 52.037 0.203 0.000 0.831 219 A CB 0.848 20.005 19.000 0.261 0.000 1.288 219 A HN 0.775 nan 8.150 nan 0.000 0.472 220 N N -1.750 116.969 118.700 0.032 0.000 2.756 220 N HA -0.147 4.593 4.740 -0.000 0.000 0.248 220 N C -0.596 174.929 175.510 0.025 0.000 1.062 220 N CA 1.183 54.242 53.050 0.016 0.000 0.696 220 N CB -1.549 36.966 38.487 0.047 0.000 0.946 220 N HN 1.634 nan 8.380 nan 0.000 0.548 221 V N -3.423 116.498 119.914 0.011 0.000 3.049 221 V HA 0.975 5.095 4.120 -0.000 0.000 0.309 221 V C -0.021 176.101 176.094 0.047 0.000 1.148 221 V CA -0.726 61.599 62.300 0.042 0.000 0.990 221 V CB 2.105 33.908 31.823 -0.032 0.000 1.039 221 V HN 0.333 nan 8.190 nan 0.000 0.430 222 A N 2.527 125.401 122.820 0.090 0.000 2.249 222 A HA 0.748 5.068 4.320 -0.000 0.000 0.314 222 A C -0.245 177.383 177.584 0.073 0.000 1.290 222 A CA -0.594 51.479 52.037 0.060 0.000 0.893 222 A CB 0.775 19.803 19.000 0.047 0.000 1.165 222 A HN 1.382 nan 8.150 nan 0.000 0.530 223 V N 4.821 124.740 119.914 0.008 0.000 2.397 223 V HA 0.089 4.209 4.120 -0.000 0.000 0.262 223 V C 0.886 176.926 176.094 -0.091 0.000 1.047 223 V CA 0.053 62.318 62.300 -0.060 0.000 1.003 223 V CB 0.376 32.050 31.823 -0.248 0.000 1.037 223 V HN 0.937 nan 8.190 nan 0.000 0.480 224 K N 3.125 123.495 120.400 -0.051 0.000 2.334 224 K HA 0.423 4.743 4.320 -0.000 0.000 0.195 224 K C 0.537 177.087 176.600 -0.084 0.000 1.045 224 K CA 0.715 56.968 56.287 -0.056 0.000 1.004 224 K CB 1.019 33.502 32.500 -0.028 0.000 0.837 224 K HN 0.723 nan 8.250 nan 0.000 0.510 225 A N 1.370 124.125 122.820 -0.110 0.000 2.517 225 A HA 0.581 4.901 4.320 -0.000 0.000 0.297 225 A C -1.250 176.240 177.584 -0.156 0.000 1.050 225 A CA -0.733 51.234 52.037 -0.115 0.000 0.694 225 A CB 1.295 20.248 19.000 -0.078 0.000 1.277 225 A HN 0.007 nan 8.150 nan 0.000 0.400 226 I N 1.757 122.230 120.570 -0.160 0.000 2.389 226 I HA 0.482 4.652 4.170 -0.000 0.000 0.288 226 I C 0.116 176.174 176.117 -0.097 0.000 0.999 226 I CA -0.116 61.094 61.300 -0.151 0.000 1.129 226 I CB 0.974 38.862 38.000 -0.187 0.000 1.288 226 I HN 0.802 nan 8.210 nan 0.000 0.444 227 E N 6.704 126.863 120.200 -0.068 0.000 2.316 227 E HA 0.431 4.781 4.350 -0.000 0.000 0.258 227 E C -1.783 174.792 176.600 -0.041 0.000 0.952 227 E CA -1.584 54.785 56.400 -0.052 0.000 0.818 227 E CB 1.815 31.491 29.700 -0.040 0.000 1.260 227 E HN 0.269 nan 8.360 nan 0.000 0.416 228 P HA -0.114 nan 4.420 nan 0.000 0.226 228 P C 0.106 177.402 177.300 -0.007 0.000 1.153 228 P CA 1.174 64.259 63.100 -0.025 0.000 0.777 228 P CB 0.214 31.900 31.700 -0.023 0.000 0.794 229 D N -1.999 118.399 120.400 -0.004 0.000 2.489 229 D HA 0.030 4.670 4.640 -0.000 0.000 0.231 229 D C 0.533 176.844 176.300 0.018 0.000 1.114 229 D CA 0.307 54.312 54.000 0.009 0.000 0.842 229 D CB 0.283 41.086 40.800 0.004 0.000 1.133 229 D HN 0.219 nan 8.370 nan 0.000 0.506 230 K N -0.410 119.997 120.400 0.011 0.000 2.495 230 K HA 0.647 4.967 4.320 -0.000 0.000 0.268 230 K C -1.511 175.102 176.600 0.021 0.000 1.008 230 K CA -0.969 55.332 56.287 0.024 0.000 0.882 230 K CB 2.423 34.932 32.500 0.015 0.000 1.443 230 K HN -0.171 nan 8.250 nan 0.000 0.447 231 V N 2.163 122.108 119.914 0.051 0.000 2.443 231 V HA 0.358 4.478 4.120 -0.000 0.000 0.293 231 V C -0.598 175.538 176.094 0.069 0.000 1.021 231 V CA -0.740 61.584 62.300 0.039 0.000 0.848 231 V CB 1.244 33.130 31.823 0.106 0.000 0.998 231 V HN 0.602 nan 8.190 nan 0.000 0.424 232 I N 6.745 127.319 120.570 0.006 0.000 2.342 232 I HA 0.472 4.642 4.170 -0.000 0.000 0.291 232 I C -0.187 175.966 176.117 0.060 0.000 1.010 232 I CA -0.278 61.018 61.300 -0.007 0.000 1.308 232 I CB 0.719 38.687 38.000 -0.053 0.000 1.400 232 I HN 0.736 nan 8.210 nan 0.000 0.488 233 Y N 3.304 123.610 120.300 0.009 0.000 2.693 233 Y HA 0.814 5.364 4.550 -0.000 0.000 0.331 233 Y C -0.840 175.098 175.900 0.063 0.000 1.092 233 Y CA -1.330 56.782 58.100 0.019 0.000 1.131 233 Y CB 1.244 39.722 38.460 0.030 0.000 1.318 233 Y HN 0.504 nan 8.280 nan 0.000 0.510 234 E N 1.210 121.593 120.200 0.306 0.000 2.287 234 E HA 0.257 4.607 4.350 -0.000 0.000 0.274 234 E C -1.903 174.846 176.600 0.249 0.000 0.896 234 E CA -0.788 55.722 56.400 0.184 0.000 0.788 234 E CB 1.431 31.178 29.700 0.079 0.000 1.244 234 E HN 0.780 nan 8.360 nan 0.000 0.408 235 D N 2.760 123.307 120.400 0.245 0.000 2.478 235 D HA 0.125 4.765 4.640 -0.000 0.000 0.269 235 D C 1.216 177.582 176.300 0.111 0.000 1.232 235 D CA -0.505 53.607 54.000 0.187 0.000 1.059 235 D CB 0.661 41.577 40.800 0.194 0.000 1.104 235 D HN 0.438 nan 8.370 nan 0.000 0.566 236 L N -0.570 120.703 121.223 0.085 0.000 2.191 236 L HA -0.122 4.218 4.340 -0.000 0.000 0.212 236 L C 1.651 178.551 176.870 0.050 0.000 1.103 236 L CA 1.236 56.110 54.840 0.057 0.000 0.769 236 L CB -0.735 41.352 42.059 0.046 0.000 0.908 236 L HN 0.422 nan 8.230 nan 0.000 0.438 237 N N -0.362 118.374 118.700 0.059 0.000 2.512 237 N HA -0.033 4.707 4.740 -0.000 0.000 0.183 237 N C 1.189 176.720 175.510 0.036 0.000 1.073 237 N CA 0.602 53.679 53.050 0.046 0.000 0.911 237 N CB 0.099 38.618 38.487 0.053 0.000 0.964 237 N HN 0.420 nan 8.380 nan 0.000 0.447 238 G N 0.537 109.363 108.800 0.043 0.000 2.132 238 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.234 238 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.234 238 G C -0.571 174.329 174.900 0.001 0.000 0.989 238 G CA -0.518 44.596 45.100 0.022 0.000 0.676 238 G HN 0.230 nan 8.290 nan 0.000 0.522 239 N N 0.770 119.481 118.700 0.019 0.000 2.472 239 N HA 0.510 5.250 4.740 -0.000 0.000 0.277 239 N C 0.038 175.454 175.510 -0.156 0.000 1.081 239 N CA 0.227 53.233 53.050 -0.072 0.000 0.973 239 N CB 1.222 39.690 38.487 -0.032 0.000 1.105 239 N HN 0.097 nan 8.380 nan 0.000 0.470 240 T N 2.248 116.626 114.554 -0.294 0.000 2.771 240 T HA 0.267 4.617 4.350 -0.000 0.000 0.291 240 T C -0.610 173.726 174.700 -0.606 0.000 0.954 240 T CA -0.109 61.799 62.100 -0.321 0.000 1.045 240 T CB -0.049 68.697 68.868 -0.203 0.000 0.917 240 T HN 0.395 nan 8.240 nan 0.000 0.484 241 H N 1.419 120.155 119.070 -0.556 0.000 2.679 241 H HA 0.529 5.085 4.556 -0.000 0.000 0.367 241 H C -0.132 174.873 175.328 -0.539 0.000 1.162 241 H CA -0.779 54.879 56.048 -0.650 0.000 1.181 241 H CB 1.360 30.499 29.762 -1.038 0.000 1.693 241 H HN 0.520 nan 8.280 nan 0.000 0.538 242 E N 0.892 121.011 120.200 -0.135 0.000 2.221 242 E HA 0.589 4.939 4.350 -0.000 0.000 0.268 242 E C -1.025 175.632 176.600 0.094 0.000 0.933 242 E CA -0.975 55.411 56.400 -0.023 0.000 0.809 242 E CB 2.596 32.281 29.700 -0.024 0.000 1.190 242 E HN 0.126 nan 8.360 nan 0.000 0.406 243 V N 3.435 123.429 119.914 0.134 0.000 2.686 243 V HA 0.312 4.432 4.120 -0.000 0.000 0.306 243 V C -2.389 173.764 176.094 0.099 0.000 1.065 243 V CA -1.907 60.482 62.300 0.147 0.000 0.894 243 V CB 2.044 33.993 31.823 0.210 0.000 1.004 243 V HN 0.601 nan 8.190 nan 0.000 0.424 244 P HA 0.394 nan 4.420 nan 0.000 0.267 244 P C -0.892 176.452 177.300 0.073 0.000 1.205 244 P CA 0.077 63.214 63.100 0.060 0.000 0.765 244 P CB 1.151 32.879 31.700 0.047 0.000 0.828 245 A N 3.163 126.024 122.820 0.069 0.000 2.465 245 A HA 0.353 4.673 4.320 -0.000 0.000 0.292 245 A C 0.650 178.279 177.584 0.076 0.000 1.041 245 A CA -0.613 51.475 52.037 0.086 0.000 0.718 245 A CB 1.371 20.433 19.000 0.103 0.000 1.266 245 A HN 0.482 nan 8.150 nan 0.000 0.403 246 K N 1.419 121.879 120.400 0.099 0.000 2.244 246 K HA 0.259 4.579 4.320 -0.000 0.000 0.200 246 K C -0.361 176.332 176.600 0.155 0.000 1.052 246 K CA 0.742 57.089 56.287 0.099 0.000 0.980 246 K CB 0.191 32.744 32.500 0.087 0.000 0.838 246 K HN 0.625 nan 8.250 nan 0.000 0.481 247 F N 1.249 121.206 119.950 0.013 0.000 2.556 247 F HA 0.353 4.880 4.527 0.000 0.000 0.314 247 F C -0.977 174.848 175.800 0.042 0.000 1.106 247 F CA -0.528 57.479 58.000 0.012 0.000 0.911 247 F CB 1.892 40.886 39.000 -0.010 0.000 1.190 247 F HN -0.038 nan 8.300 nan 0.000 0.448 248 T N 4.459 118.608 114.554 -0.674 0.000 2.903 248 T HA 0.639 4.989 4.350 -0.000 0.000 0.299 248 T C -1.274 173.020 174.700 -0.676 0.000 1.093 248 T CA -0.863 61.000 62.100 -0.395 0.000 1.002 248 T CB 1.847 70.725 68.868 0.017 0.000 1.127 248 T HN 0.728 nan 8.240 nan 0.000 0.488 249 M N 2.970 122.327 119.600 -0.405 0.000 2.122 249 M HA 0.531 5.011 4.480 -0.000 0.000 0.269 249 M C -2.474 173.569 176.300 -0.427 0.000 0.954 249 M CA -1.061 54.000 55.300 -0.398 0.000 0.998 249 M CB 0.676 33.010 32.600 -0.443 0.000 1.755 249 M HN 0.816 nan 8.290 nan 0.000 0.459 250 F N 3.990 123.827 119.950 -0.188 0.000 2.495 250 F HA 0.559 5.086 4.527 -0.000 0.000 0.327 250 F C 0.471 176.205 175.800 -0.110 0.000 1.103 250 F CA -0.668 57.247 58.000 -0.142 0.000 0.949 250 F CB 1.795 40.725 39.000 -0.116 0.000 1.142 250 F HN 0.378 nan 8.300 nan 0.000 0.457 251 M N 5.505 125.111 119.600 0.011 0.000 2.217 251 M HA 0.186 4.666 4.480 -0.000 0.000 0.352 251 M C -2.310 173.924 176.300 -0.110 0.000 1.376 251 M CA -1.650 53.600 55.300 -0.084 0.000 1.107 251 M CB 0.294 32.770 32.600 -0.206 0.000 1.723 251 M HN 0.199 nan 8.290 nan 0.000 0.461 252 P HA 0.130 nan 4.420 nan 0.000 0.274 252 P C -0.395 176.707 177.300 -0.330 0.000 1.237 252 P CA -0.371 62.532 63.100 -0.329 0.000 0.793 252 P CB 0.555 31.853 31.700 -0.669 0.000 0.977 253 S N 1.205 116.747 115.700 -0.263 0.000 2.617 253 S HA 0.448 4.918 4.470 -0.000 0.000 0.269 253 S C -0.197 174.388 174.600 -0.025 0.000 1.292 253 S CA -0.364 57.684 58.200 -0.254 0.000 1.010 253 S CB -0.150 62.960 63.200 -0.151 0.000 0.944 253 S HN 0.175 nan 8.310 nan 0.000 0.536 254 F N 0.855 120.730 119.950 -0.126 0.000 2.408 254 F HA 0.693 5.220 4.527 -0.000 0.000 0.325 254 F C 0.686 176.445 175.800 -0.068 0.000 1.082 254 F CA -1.169 56.771 58.000 -0.099 0.000 1.032 254 F CB 1.166 40.120 39.000 -0.076 0.000 1.259 254 F HN 0.825 nan 8.300 nan 0.000 0.503 255 Q N -0.274 119.609 119.800 0.138 0.000 2.594 255 Q HA 0.488 4.828 4.340 -0.000 0.000 0.278 255 Q C -0.852 175.156 176.000 0.015 0.000 0.961 255 Q CA -0.713 55.124 55.803 0.057 0.000 0.844 255 Q CB 2.053 30.811 28.738 0.033 0.000 1.475 255 Q HN 0.897 nan 8.270 nan 0.000 0.389 256 G N 2.195 111.003 108.800 0.013 0.000 2.594 256 G HA2 0.475 4.435 3.960 -0.000 0.000 0.243 256 G HA3 0.475 4.435 3.960 -0.000 0.000 0.243 256 G C -2.568 172.327 174.900 -0.008 0.000 1.229 256 G CA -0.628 44.471 45.100 -0.001 0.000 0.843 256 G HN 0.421 nan 8.290 nan 0.000 0.578 257 P HA 0.245 nan 4.420 nan 0.000 0.278 257 P C 0.537 177.832 177.300 -0.007 0.000 1.266 257 P CA -0.568 62.524 63.100 -0.014 0.000 0.807 257 P CB 1.233 32.920 31.700 -0.020 0.000 1.094 258 E N 0.111 120.307 120.200 -0.005 0.000 2.358 258 E HA -0.061 4.289 4.350 -0.000 0.000 0.195 258 E C 1.655 178.252 176.600 -0.006 0.000 1.010 258 E CA 0.487 56.885 56.400 -0.003 0.000 0.856 258 E CB -0.402 29.298 29.700 -0.000 0.000 0.795 258 E HN 0.147 nan 8.360 nan 0.000 0.504 259 V N 0.676 120.584 119.914 -0.009 0.000 2.261 259 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 259 V C 2.267 178.352 176.094 -0.015 0.000 1.047 259 V CA 1.459 63.752 62.300 -0.013 0.000 1.015 259 V CB -0.195 31.618 31.823 -0.016 0.000 0.642 259 V HN 0.041 nan 8.190 nan 0.000 0.446 260 V N 0.689 120.594 119.914 -0.014 0.000 2.295 260 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 260 V C 2.863 178.952 176.094 -0.008 0.000 1.049 260 V CA 2.112 64.405 62.300 -0.012 0.000 1.024 260 V CB -1.367 30.452 31.823 -0.007 0.000 0.648 260 V HN 0.663 nan 8.190 nan 0.000 0.447 261 A N 0.704 123.522 122.820 -0.004 0.000 1.986 261 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 261 A C 2.165 179.749 177.584 -0.001 0.000 1.171 261 A CA 2.065 54.102 52.037 0.000 0.000 0.640 261 A CB -0.667 18.334 19.000 0.002 0.000 0.811 261 A HN 0.733 nan 8.150 nan 0.000 0.451 262 S N -1.388 114.309 115.700 -0.005 0.000 2.768 262 S HA 0.567 5.037 4.470 -0.000 0.000 0.246 262 S C 0.800 175.391 174.600 -0.014 0.000 1.006 262 S CA 0.362 58.558 58.200 -0.007 0.000 1.075 262 S CB 0.093 63.289 63.200 -0.007 0.000 0.786 262 S HN 0.856 nan 8.310 nan 0.000 0.468 263 A N 0.216 123.027 122.820 -0.016 0.000 2.456 263 A HA 0.746 5.066 4.320 -0.000 0.000 0.237 263 A C 1.066 178.648 177.584 -0.004 0.000 1.217 263 A CA 0.038 52.054 52.037 -0.035 0.000 0.962 263 A CB 0.128 19.092 19.000 -0.060 0.000 1.079 263 A HN 1.614 nan 8.150 nan 0.000 0.536 264 G N -0.263 108.547 108.800 0.017 0.000 2.555 264 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.686 264 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.686 264 G C -0.377 174.549 174.900 0.043 0.000 1.275 264 G CA -0.051 45.073 45.100 0.040 0.000 0.871 264 G HN 0.007 nan 8.290 nan 0.000 0.603 265 D N 0.058 120.482 120.400 0.040 0.000 2.263 265 D HA -0.023 4.617 4.640 -0.000 0.000 0.208 265 D C 2.301 178.624 176.300 0.040 0.000 0.971 265 D CA 1.059 55.077 54.000 0.031 0.000 0.867 265 D CB 0.147 40.960 40.800 0.022 0.000 0.929 265 D HN 0.329 nan 8.370 nan 0.000 0.492 266 K N 0.065 120.506 120.400 0.069 0.000 2.365 266 K HA 0.042 4.362 4.320 -0.000 0.000 0.199 266 K C 1.624 178.290 176.600 0.111 0.000 1.045 266 K CA 0.284 56.623 56.287 0.087 0.000 0.962 266 K CB 0.296 32.875 32.500 0.133 0.000 0.759 266 K HN 0.176 nan 8.250 nan 0.000 0.469 267 V N -0.278 119.697 119.914 0.101 0.000 3.090 267 V HA 0.212 4.332 4.120 -0.000 0.000 0.237 267 V C 0.520 176.632 176.094 0.030 0.000 1.209 267 V CA 0.350 62.693 62.300 0.073 0.000 1.209 267 V CB 0.422 32.276 31.823 0.052 0.000 0.971 267 V HN 0.066 nan 8.190 nan 0.000 0.477 268 A N 1.786 124.620 122.820 0.024 0.000 2.252 268 A HA 0.414 4.734 4.320 -0.000 0.000 0.309 268 A C 0.123 177.714 177.584 0.013 0.000 1.285 268 A CA -0.251 51.794 52.037 0.013 0.000 0.900 268 A CB -0.092 18.914 19.000 0.010 0.000 1.157 268 A HN 0.333 nan 8.150 nan 0.000 0.536 269 N N 3.543 122.248 118.700 0.008 0.000 2.365 269 N HA 0.012 4.752 4.740 -0.000 0.000 0.265 269 N C -1.758 173.757 175.510 0.008 0.000 1.288 269 N CA -1.063 51.990 53.050 0.005 0.000 0.869 269 N CB 1.011 39.499 38.487 0.003 0.000 1.071 269 N HN 0.247 nan 8.380 nan 0.000 0.480 270 P HA -0.043 nan 4.420 nan 0.000 0.225 270 P C 0.402 177.706 177.300 0.007 0.000 1.148 270 P CA 0.889 63.994 63.100 0.008 0.000 0.779 270 P CB 0.264 31.968 31.700 0.007 0.000 0.780 271 A N 0.044 122.868 122.820 0.007 0.000 2.044 271 A HA 0.007 4.327 4.320 -0.000 0.000 0.213 271 A C 1.439 179.029 177.584 0.011 0.000 1.169 271 A CA 1.097 53.139 52.037 0.008 0.000 0.724 271 A CB -0.615 18.389 19.000 0.008 0.000 0.840 271 A HN 0.323 nan 8.150 nan 0.000 0.463 272 N N -2.800 115.908 118.700 0.013 0.000 2.116 272 N HA 0.108 4.848 4.740 -0.000 0.000 0.230 272 N C 0.121 175.642 175.510 0.018 0.000 1.326 272 N CA 0.240 53.301 53.050 0.018 0.000 0.867 272 N CB -0.081 38.421 38.487 0.026 0.000 1.174 272 N HN 0.210 nan 8.380 nan 0.000 0.506 273 K N -0.386 120.022 120.400 0.013 0.000 3.104 273 K HA -0.214 4.106 4.320 -0.000 0.000 0.285 273 K C -0.430 176.176 176.600 0.010 0.000 1.136 273 K CA 0.938 57.232 56.287 0.010 0.000 0.842 273 K CB -1.299 31.206 32.500 0.008 0.000 1.217 273 K HN 0.453 nan 8.250 nan 0.000 0.467 274 M N 0.248 119.856 119.600 0.015 0.000 2.267 274 M HA 0.199 4.679 4.480 -0.000 0.000 0.303 274 M C 0.539 176.845 176.300 0.011 0.000 1.164 274 M CA -0.706 54.604 55.300 0.017 0.000 1.060 274 M CB 1.065 33.682 32.600 0.029 0.000 1.455 274 M HN -0.187 nan 8.290 nan 0.000 0.483 275 V N 2.232 122.154 119.914 0.014 0.000 2.530 275 V HA 0.174 4.294 4.120 -0.000 0.000 0.282 275 V C 0.101 176.185 176.094 -0.017 0.000 1.048 275 V CA -0.345 61.959 62.300 0.007 0.000 0.997 275 V CB 0.239 32.076 31.823 0.023 0.000 0.987 275 V HN 0.554 nan 8.190 nan 0.000 0.477 276 I N 6.126 126.684 120.570 -0.020 0.000 2.452 276 I HA 0.351 4.521 4.170 -0.000 0.000 0.287 276 I C 0.088 176.158 176.117 -0.078 0.000 1.079 276 I CA 0.244 61.516 61.300 -0.046 0.000 1.387 276 I CB 0.769 38.754 38.000 -0.027 0.000 1.404 276 I HN 0.588 nan 8.210 nan 0.000 0.522 277 V N 2.651 122.477 119.914 -0.147 0.000 3.130 277 V HA 0.662 4.782 4.120 -0.000 0.000 0.310 277 V C -0.683 175.267 176.094 -0.241 0.000 1.158 277 V CA -0.930 61.245 62.300 -0.209 0.000 1.029 277 V CB 1.854 33.478 31.823 -0.332 0.000 1.057 277 V HN 0.785 nan 8.190 nan 0.000 0.436 278 N N 1.274 119.855 118.700 -0.199 0.000 2.823 278 N HA 0.453 5.193 4.740 -0.000 0.000 0.324 278 N C 0.778 176.201 175.510 -0.144 0.000 1.336 278 N CA -0.583 52.379 53.050 -0.148 0.000 0.861 278 N CB 0.212 38.657 38.487 -0.070 0.000 1.157 278 N HN 0.602 nan 8.380 nan 0.000 0.585 279 R N -1.076 119.412 120.500 -0.020 0.000 2.127 279 R HA -0.004 4.336 4.340 -0.000 0.000 0.238 279 R C 0.736 177.175 176.300 0.231 0.000 1.134 279 R CA 1.578 57.730 56.100 0.087 0.000 0.975 279 R CB -0.703 29.645 30.300 0.079 0.000 0.865 279 R HN 0.527 nan 8.270 nan 0.000 0.447 280 c N 0.082 118.803 118.600 0.202 0.000 2.559 280 c HA 0.236 4.806 4.570 -0.000 0.000 0.300 280 c C -0.243 174.119 174.090 0.453 0.000 1.288 280 c CA -0.855 55.657 56.329 0.305 0.000 1.699 280 c CB -1.711 40.938 42.510 0.231 0.000 1.819 280 c HN 0.469 nan 8.230 nan 0.000 0.600 281 F N 1.385 121.421 119.950 0.144 0.000 2.866 281 F HA -0.197 4.330 4.527 -0.000 0.000 0.254 281 F C 0.439 176.341 175.800 0.170 0.000 1.009 281 F CA 1.327 59.419 58.000 0.153 0.000 0.907 281 F CB -1.210 37.893 39.000 0.171 0.000 0.859 281 F HN 0.527 nan 8.300 nan 0.000 0.842 282 Q N 0.728 120.550 119.800 0.036 0.000 2.345 282 Q HA 0.357 4.697 4.340 -0.000 0.000 0.275 282 Q C -0.537 175.331 176.000 -0.220 0.000 1.063 282 Q CA -1.116 54.519 55.803 -0.280 0.000 0.819 282 Q CB 1.859 30.379 28.738 -0.364 0.000 1.356 282 Q HN 0.255 nan 8.270 nan 0.000 0.418 283 N N 4.019 122.578 118.700 -0.236 0.000 2.447 283 N HA 0.081 4.821 4.740 -0.000 0.000 0.263 283 N C -1.919 173.531 175.510 -0.099 0.000 1.226 283 N CA -0.913 52.074 53.050 -0.105 0.000 0.906 283 N CB 1.112 39.596 38.487 -0.006 0.000 1.060 283 N HN 0.379 nan 8.380 nan 0.000 0.468 284 P HA -0.098 nan 4.420 nan 0.000 0.218 284 P C 0.496 177.734 177.300 -0.103 0.000 1.148 284 P CA 1.349 64.401 63.100 -0.081 0.000 0.822 284 P CB 0.317 31.976 31.700 -0.068 0.000 0.784 285 T N -2.860 111.618 114.554 -0.126 0.000 3.021 285 T HA 0.049 4.399 4.350 -0.000 0.000 0.245 285 T C 0.151 174.603 174.700 -0.412 0.000 1.028 285 T CA 0.732 62.660 62.100 -0.288 0.000 1.139 285 T CB -0.322 68.317 68.868 -0.381 0.000 0.884 285 T HN -0.006 nan 8.240 nan 0.000 0.457 286 Y N 2.054 122.326 120.300 -0.046 0.000 2.717 286 Y HA 0.391 4.941 4.550 -0.000 0.000 0.329 286 Y C 1.105 176.964 175.900 -0.068 0.000 1.017 286 Y CA -0.851 57.230 58.100 -0.033 0.000 1.275 286 Y CB 0.512 38.974 38.460 0.002 0.000 1.109 286 Y HN -0.048 nan 8.280 nan 0.000 0.511 287 K N 1.031 121.448 120.400 0.028 0.000 2.442 287 K HA -0.170 4.150 4.320 -0.000 0.000 0.199 287 K C 1.148 177.755 176.600 0.012 0.000 1.044 287 K CA 1.166 57.438 56.287 -0.025 0.000 0.941 287 K CB 0.033 32.547 32.500 0.023 0.000 0.759 287 K HN 0.594 nan 8.250 nan 0.000 0.472 288 N N 0.572 119.340 118.700 0.113 0.000 2.268 288 N HA 0.013 4.753 4.740 -0.000 0.000 0.204 288 N C -0.221 175.482 175.510 0.321 0.000 1.124 288 N CA 0.105 53.318 53.050 0.273 0.000 0.838 288 N CB 0.214 38.733 38.487 0.054 0.000 0.994 288 N HN 0.074 nan 8.380 nan 0.000 0.489 289 I N 0.904 121.497 120.570 0.038 0.000 2.389 289 I HA 0.374 4.544 4.170 -0.000 0.000 0.288 289 I C -1.058 174.938 176.117 -0.201 0.000 0.999 289 I CA -0.804 60.515 61.300 0.031 0.000 1.129 289 I CB 0.897 38.920 38.000 0.039 0.000 1.288 289 I HN -0.219 nan 8.210 nan 0.000 0.444 290 F N 3.293 123.298 119.950 0.091 0.000 2.551 290 F HA 0.693 5.220 4.527 -0.000 0.000 0.316 290 F C 0.622 176.481 175.800 0.098 0.000 1.089 290 F CA -0.758 57.311 58.000 0.115 0.000 0.915 290 F CB 2.189 41.267 39.000 0.130 0.000 1.186 290 F HN 0.333 nan 8.300 nan 0.000 0.456 291 G N 1.334 110.321 108.800 0.311 0.000 2.415 291 G HA2 0.639 4.599 3.960 -0.000 0.000 0.327 291 G HA3 0.639 4.599 3.960 -0.000 0.000 0.327 291 G C -1.879 173.227 174.900 0.345 0.000 1.182 291 G CA -0.742 44.510 45.100 0.254 0.000 0.924 291 G HN 0.498 nan 8.290 nan 0.000 0.470 292 V N 1.609 121.653 119.914 0.217 0.000 2.709 292 V HA 0.911 5.031 4.120 -0.000 0.000 0.308 292 V C 0.834 176.991 176.094 0.104 0.000 1.062 292 V CA 0.671 63.060 62.300 0.149 0.000 0.901 292 V CB 0.888 32.755 31.823 0.074 0.000 1.003 292 V HN 1.875 nan 8.190 nan 0.000 0.425 293 G N 3.342 112.190 108.800 0.080 0.000 2.527 293 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.227 293 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.227 293 G C 0.586 175.537 174.900 0.084 0.000 1.291 293 G CA -0.129 45.004 45.100 0.055 0.000 0.904 293 G HN 0.972 nan 8.290 nan 0.000 0.577 294 V N 0.274 120.208 119.914 0.034 0.000 2.392 294 V HA -0.154 3.966 4.120 -0.000 0.000 0.249 294 V C 3.036 179.154 176.094 0.039 0.000 1.059 294 V CA 2.341 64.660 62.300 0.032 0.000 1.051 294 V CB -0.612 31.168 31.823 -0.072 0.000 0.658 294 V HN 1.161 nan 8.190 nan 0.000 0.455 295 V N 1.073 120.998 119.914 0.018 0.000 2.828 295 V HA -0.124 3.996 4.120 -0.000 0.000 0.260 295 V C 1.509 177.638 176.094 0.060 0.000 1.101 295 V CA 1.732 64.045 62.300 0.022 0.000 1.123 295 V CB -0.847 30.982 31.823 0.010 0.000 0.704 295 V HN 0.835 nan 8.190 nan 0.000 0.493 296 T N -0.238 114.381 114.554 0.109 0.000 2.913 296 T HA 0.564 4.914 4.350 -0.000 0.000 0.297 296 T C -0.039 174.702 174.700 0.068 0.000 1.029 296 T CA -0.100 62.067 62.100 0.113 0.000 1.104 296 T CB 1.453 70.475 68.868 0.257 0.000 0.964 296 T HN 0.555 nan 8.240 nan 0.000 0.532 297 A N 3.747 126.571 122.820 0.007 0.000 2.316 297 A HA 0.624 4.944 4.320 -0.000 0.000 0.311 297 A C 0.024 177.595 177.584 -0.022 0.000 1.339 297 A CA -0.884 51.153 52.037 0.001 0.000 0.960 297 A CB -0.514 18.478 19.000 -0.014 0.000 1.152 297 A HN 0.876 nan 8.150 nan 0.000 0.547 298 I N 4.000 124.584 120.570 0.022 0.000 2.418 298 I HA 0.298 4.468 4.170 -0.000 0.000 0.287 298 I C -2.247 173.889 176.117 0.032 0.000 1.008 298 I CA -2.192 59.122 61.300 0.022 0.000 1.104 298 I CB 2.016 40.062 38.000 0.076 0.000 1.264 298 I HN 0.407 nan 8.210 nan 0.000 0.438 299 P HA 0.053 nan 4.420 nan 0.000 0.264 299 P C -2.433 174.890 177.300 0.038 0.000 1.179 299 P CA -0.510 62.604 63.100 0.023 0.000 0.763 299 P CB -0.322 31.386 31.700 0.014 0.000 0.806 300 P HA 0.110 nan 4.420 nan 0.000 0.268 300 P C 0.965 178.296 177.300 0.052 0.000 1.205 300 P CA 0.120 63.254 63.100 0.056 0.000 0.771 300 P CB 0.348 32.081 31.700 0.054 0.000 0.858 301 I N 1.063 121.668 120.570 0.058 0.000 2.361 301 I HA -0.179 3.991 4.170 -0.000 0.000 0.251 301 I C 1.158 177.303 176.117 0.046 0.000 1.133 301 I CA 1.519 62.844 61.300 0.041 0.000 1.413 301 I CB -0.127 37.886 38.000 0.021 0.000 1.073 301 I HN 0.523 nan 8.210 nan 0.000 0.424 302 E N 0.124 120.366 120.200 0.070 0.000 2.390 302 E HA 0.278 4.628 4.350 -0.000 0.000 0.277 302 E C -0.739 175.894 176.600 0.055 0.000 0.939 302 E CA -0.986 55.454 56.400 0.066 0.000 0.769 302 E CB 1.302 31.057 29.700 0.091 0.000 1.251 302 E HN -0.115 nan 8.360 nan 0.000 0.450 303 K N 2.304 122.726 120.400 0.037 0.000 2.219 303 K HA 0.125 4.445 4.320 -0.000 0.000 0.280 303 K C -0.484 176.122 176.600 0.011 0.000 1.104 303 K CA -0.084 56.216 56.287 0.022 0.000 0.925 303 K CB 0.223 32.734 32.500 0.018 0.000 1.261 303 K HN 0.654 nan 8.250 nan 0.000 0.445 304 T N 1.802 116.347 114.554 -0.014 0.000 2.899 304 T HA 0.231 4.581 4.350 -0.000 0.000 0.284 304 T C -1.644 173.033 174.700 -0.038 0.000 1.004 304 T CA -1.731 60.336 62.100 -0.054 0.000 1.043 304 T CB 1.093 69.855 68.868 -0.177 0.000 1.013 304 T HN 0.278 nan 8.240 nan 0.000 0.518 305 P HA -0.073 nan 4.420 nan 0.000 0.214 305 P C 0.409 177.700 177.300 -0.014 0.000 1.172 305 P CA 1.000 64.092 63.100 -0.014 0.000 0.925 305 P CB -0.115 31.581 31.700 -0.007 0.000 0.793 306 I N -0.003 120.551 120.570 -0.027 0.000 2.396 306 I HA 0.162 4.332 4.170 -0.000 0.000 0.289 306 I C -2.180 173.926 176.117 -0.019 0.000 1.056 306 I CA -3.456 57.834 61.300 -0.015 0.000 1.365 306 I CB -0.341 37.654 38.000 -0.008 0.000 1.407 306 I HN -0.142 nan 8.210 nan 0.000 0.509 307 P HA -0.063 nan 4.420 nan 0.000 0.259 307 P C -0.059 177.254 177.300 0.021 0.000 1.155 307 P CA 0.909 64.011 63.100 0.004 0.000 0.759 307 P CB 0.429 32.132 31.700 0.004 0.000 0.753 308 T N 1.929 116.503 114.554 0.032 0.000 2.896 308 T HA 0.715 5.065 4.350 -0.000 0.000 0.297 308 T C -0.375 174.385 174.700 0.100 0.000 1.108 308 T CA -0.540 61.618 62.100 0.097 0.000 1.004 308 T CB 1.294 70.201 68.868 0.065 0.000 1.159 308 T HN 0.339 nan 8.240 nan 0.000 0.499 309 G N 0.487 109.370 108.800 0.138 0.000 2.630 309 G HA2 0.632 4.592 3.960 -0.000 0.000 0.296 309 G HA3 0.632 4.592 3.960 -0.000 0.000 0.296 309 G C -1.047 173.943 174.900 0.151 0.000 1.285 309 G CA -0.489 44.674 45.100 0.106 0.000 0.958 309 G HN 0.734 nan 8.290 nan 0.000 0.479 310 V N 2.051 122.035 119.914 0.118 0.000 2.498 310 V HA 0.503 4.623 4.120 -0.000 0.000 0.279 310 V C -1.775 174.390 176.094 0.118 0.000 1.048 310 V CA -1.894 60.477 62.300 0.119 0.000 0.967 310 V CB 1.512 33.389 31.823 0.090 0.000 0.988 310 V HN 0.604 nan 8.190 nan 0.000 0.473 311 P HA 0.251 nan 4.420 nan 0.000 0.271 311 P C -1.496 175.855 177.300 0.085 0.000 1.218 311 P CA -0.366 62.795 63.100 0.101 0.000 0.780 311 P CB 0.538 32.287 31.700 0.081 0.000 0.901 312 K N 1.155 121.611 120.400 0.095 0.000 2.478 312 K HA 0.305 4.625 4.320 -0.000 0.000 0.236 312 K C 0.442 177.060 176.600 0.030 0.000 1.021 312 K CA -0.404 55.925 56.287 0.070 0.000 1.010 312 K CB 0.447 33.004 32.500 0.094 0.000 1.331 312 K HN 0.439 nan 8.250 nan 0.000 0.470 313 T N -1.893 112.660 114.554 -0.001 0.000 2.849 313 T HA 0.238 4.588 4.350 -0.000 0.000 0.284 313 T C 1.648 176.326 174.700 -0.038 0.000 1.004 313 T CA -0.310 61.770 62.100 -0.035 0.000 1.021 313 T CB 1.438 70.268 68.868 -0.063 0.000 1.013 313 T HN 0.457 nan 8.240 nan 0.000 0.527 314 G N 0.479 109.242 108.800 -0.062 0.000 2.624 314 G HA2 -0.331 3.628 3.960 -0.000 0.000 0.221 314 G HA3 -0.331 3.628 3.960 -0.000 0.000 0.221 314 G C 1.408 176.316 174.900 0.013 0.000 1.169 314 G CA 1.407 46.479 45.100 -0.047 0.000 0.771 314 G HN 0.800 nan 8.290 nan 0.000 0.598 315 M N -0.355 119.246 119.600 0.002 0.000 2.175 315 M HA 0.101 4.581 4.480 -0.000 0.000 0.264 315 M C 2.691 179.000 176.300 0.015 0.000 1.063 315 M CA 1.210 56.530 55.300 0.033 0.000 1.119 315 M CB -0.113 32.501 32.600 0.022 0.000 1.377 315 M HN 0.284 nan 8.290 nan 0.000 0.415 316 M N -0.092 119.502 119.600 -0.010 0.000 2.108 316 M HA -0.246 4.234 4.480 -0.000 0.000 0.261 316 M C 1.940 178.201 176.300 -0.066 0.000 1.066 316 M CA 1.707 56.988 55.300 -0.031 0.000 1.107 316 M CB -0.538 32.051 32.600 -0.019 0.000 1.356 316 M HN 0.334 nan 8.290 nan 0.000 0.406 317 I N -0.316 120.233 120.570 -0.036 0.000 2.233 317 I HA -0.216 3.954 4.170 -0.000 0.000 0.243 317 I C 2.140 178.243 176.117 -0.022 0.000 1.093 317 I CA 1.183 62.459 61.300 -0.041 0.000 1.380 317 I CB -0.480 37.520 38.000 -0.000 0.000 1.067 317 I HN 0.286 nan 8.210 nan 0.000 0.413 318 E N 0.683 120.906 120.200 0.039 0.000 2.130 318 E HA -0.301 4.049 4.350 -0.000 0.000 0.196 318 E C 2.208 178.813 176.600 0.008 0.000 0.998 318 E CA 1.384 57.824 56.400 0.066 0.000 0.806 318 E CB -0.103 29.687 29.700 0.150 0.000 0.738 318 E HN 0.581 nan 8.360 nan 0.000 0.459 319 Q N -0.120 119.667 119.800 -0.022 0.000 2.049 319 Q HA -0.080 4.260 4.340 -0.000 0.000 0.198 319 Q C 2.261 178.194 176.000 -0.111 0.000 0.971 319 Q CA 1.025 56.798 55.803 -0.049 0.000 0.833 319 Q CB -0.099 28.615 28.738 -0.040 0.000 0.896 319 Q HN 0.319 nan 8.270 nan 0.000 0.434 320 M N 0.481 119.951 119.600 -0.215 0.000 2.108 320 M HA -0.244 4.236 4.480 -0.000 0.000 0.257 320 M C 2.329 178.532 176.300 -0.162 0.000 1.071 320 M CA 1.757 56.836 55.300 -0.368 0.000 1.093 320 M CB -0.378 31.888 32.600 -0.556 0.000 1.345 320 M HN 0.268 nan 8.290 nan 0.000 0.403 321 A N -0.294 122.471 122.820 -0.092 0.000 1.969 321 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 321 A C 2.098 179.663 177.584 -0.031 0.000 1.169 321 A CA 1.387 53.396 52.037 -0.046 0.000 0.635 321 A CB -0.547 18.433 19.000 -0.033 0.000 0.810 321 A HN 0.473 nan 8.150 nan 0.000 0.445 322 M N -0.662 118.925 119.600 -0.023 0.000 2.132 322 M HA -0.135 4.345 4.480 -0.000 0.000 0.263 322 M C 2.577 178.902 176.300 0.042 0.000 1.065 322 M CA 1.417 56.725 55.300 0.013 0.000 1.122 322 M CB -0.420 32.169 32.600 -0.019 0.000 1.365 322 M HN 0.495 nan 8.290 nan 0.000 0.411 323 A N -0.099 122.731 122.820 0.016 0.000 1.858 323 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 323 A C 2.224 179.888 177.584 0.135 0.000 1.190 323 A CA 1.618 53.717 52.037 0.103 0.000 0.617 323 A CB -1.067 18.008 19.000 0.125 0.000 0.827 323 A HN 0.270 nan 8.150 nan 0.000 0.443 324 V N -0.006 119.947 119.914 0.064 0.000 2.287 324 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 324 V C 3.091 179.049 176.094 -0.226 0.000 1.053 324 V CA 2.170 64.436 62.300 -0.057 0.000 1.027 324 V CB -1.272 30.540 31.823 -0.020 0.000 0.646 324 V HN 0.640 nan 8.190 nan 0.000 0.447 325 A N -1.332 121.408 122.820 -0.132 0.000 1.883 325 A HA -0.280 4.040 4.320 -0.000 0.000 0.217 325 A C 2.147 179.631 177.584 -0.167 0.000 1.186 325 A CA 1.976 53.907 52.037 -0.176 0.000 0.624 325 A CB -0.878 18.041 19.000 -0.135 0.000 0.822 325 A HN 0.682 nan 8.150 nan 0.000 0.444 326 H N -0.405 118.612 119.070 -0.087 0.000 2.387 326 H HA -0.093 4.463 4.556 -0.000 0.000 0.299 326 H C 2.004 177.373 175.328 0.068 0.000 1.090 326 H CA 1.755 57.803 56.048 -0.001 0.000 1.332 326 H CB -0.156 29.595 29.762 -0.018 0.000 1.386 326 H HN 0.658 nan 8.280 nan 0.000 0.516 327 N N 0.161 118.960 118.700 0.166 0.000 2.142 327 N HA -0.091 4.649 4.740 -0.000 0.000 0.186 327 N C 1.996 177.469 175.510 -0.062 0.000 1.023 327 N CA 0.727 53.851 53.050 0.123 0.000 0.852 327 N CB 0.111 38.733 38.487 0.226 0.000 0.998 327 N HN 0.198 nan 8.380 nan 0.000 0.424 328 I N 0.336 120.682 120.570 -0.372 0.000 2.142 328 I HA -0.244 3.926 4.170 -0.000 0.000 0.240 328 I C 2.102 177.961 176.117 -0.430 0.000 1.078 328 I CA 0.922 61.866 61.300 -0.592 0.000 1.343 328 I CB -0.287 37.265 38.000 -0.747 0.000 1.046 328 I HN -0.007 nan 8.210 nan 0.000 0.405 329 V N 1.252 121.000 119.914 -0.277 0.000 2.332 329 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 329 V C 2.074 178.123 176.094 -0.075 0.000 1.055 329 V CA 2.107 64.299 62.300 -0.181 0.000 1.038 329 V CB -0.824 30.890 31.823 -0.183 0.000 0.651 329 V HN 0.448 nan 8.190 nan 0.000 0.450 330 N N -0.078 118.620 118.700 -0.004 0.000 2.309 330 N HA -0.152 4.588 4.740 -0.000 0.000 0.182 330 N C 1.527 177.071 175.510 0.057 0.000 1.018 330 N CA 1.402 54.486 53.050 0.057 0.000 0.876 330 N CB -0.390 38.166 38.487 0.115 0.000 0.972 330 N HN 0.570 nan 8.380 nan 0.000 0.434 331 D N 0.062 120.492 120.400 0.051 0.000 2.117 331 D HA 0.028 4.668 4.640 -0.000 0.000 0.198 331 D C 1.813 178.194 176.300 0.136 0.000 0.982 331 D CA 0.684 54.764 54.000 0.132 0.000 0.828 331 D CB 0.068 41.015 40.800 0.245 0.000 0.967 331 D HN 0.183 nan 8.370 nan 0.000 0.464 332 I N -0.107 120.500 120.570 0.062 0.000 2.226 332 I HA -0.175 3.995 4.170 -0.000 0.000 0.245 332 I C 1.996 178.155 176.117 0.071 0.000 1.100 332 I CA 1.014 62.367 61.300 0.089 0.000 1.374 332 I CB -0.115 37.895 38.000 0.017 0.000 1.057 332 I HN -0.086 nan 8.210 nan 0.000 0.413 333 R N 0.434 120.962 120.500 0.046 0.000 2.310 333 R HA 0.039 4.379 4.340 -0.000 0.000 0.202 333 R C 0.482 176.813 176.300 0.053 0.000 0.933 333 R CA 0.134 56.260 56.100 0.044 0.000 1.054 333 R CB -0.096 30.224 30.300 0.033 0.000 0.985 333 R HN 0.260 nan 8.270 nan 0.000 0.489 334 N N 0.302 119.042 118.700 0.066 0.000 2.850 334 N HA -0.206 4.534 4.740 -0.000 0.000 0.249 334 N C -1.049 174.494 175.510 0.055 0.000 1.060 334 N CA 0.423 53.511 53.050 0.065 0.000 0.825 334 N CB -1.168 37.353 38.487 0.056 0.000 1.132 334 N HN 0.163 nan 8.380 nan 0.000 0.564 335 N N 0.713 119.447 118.700 0.056 0.000 2.442 335 N HA 0.170 4.910 4.740 -0.000 0.000 0.265 335 N C -1.534 174.001 175.510 0.042 0.000 1.138 335 N CA -1.423 51.657 53.050 0.050 0.000 0.956 335 N CB 0.909 39.434 38.487 0.064 0.000 1.067 335 N HN 0.165 nan 8.380 nan 0.000 0.474 336 P HA 0.033 nan 4.420 nan 0.000 0.237 336 P C -0.576 176.712 177.300 -0.019 0.000 1.178 336 P CA 0.298 63.407 63.100 0.015 0.000 0.766 336 P CB 0.313 32.019 31.700 0.011 0.000 0.876 337 D N 1.340 121.712 120.400 -0.047 0.000 2.389 337 D HA 0.176 4.816 4.640 -0.000 0.000 0.247 337 D C 0.564 176.725 176.300 -0.232 0.000 1.128 337 D CA 0.643 54.545 54.000 -0.163 0.000 0.884 337 D CB 0.755 41.434 40.800 -0.202 0.000 1.194 337 D HN -0.066 nan 8.370 nan 0.000 0.441 338 K N 1.812 122.020 120.400 -0.320 0.000 2.375 338 K HA 0.420 4.740 4.320 -0.000 0.000 0.249 338 K C -0.944 175.405 176.600 -0.417 0.000 0.942 338 K CA -0.779 55.364 56.287 -0.239 0.000 0.806 338 K CB 1.571 34.051 32.500 -0.034 0.000 1.227 338 K HN 0.337 nan 8.250 nan 0.000 0.430 339 Y N -0.347 120.008 120.300 0.093 0.000 2.429 339 Y HA 0.558 5.108 4.550 -0.000 0.000 0.342 339 Y C 0.148 176.111 175.900 0.105 0.000 1.004 339 Y CA -0.997 57.143 58.100 0.067 0.000 1.075 339 Y CB 2.162 40.632 38.460 0.018 0.000 1.214 339 Y HN 0.611 nan 8.280 nan 0.000 0.455 340 A N 4.692 127.662 122.820 0.250 0.000 2.317 340 A HA 0.717 5.037 4.320 -0.000 0.000 0.327 340 A C -2.773 174.911 177.584 0.167 0.000 1.178 340 A CA -2.071 50.095 52.037 0.216 0.000 0.817 340 A CB 0.574 19.677 19.000 0.171 0.000 1.189 340 A HN 0.438 nan 8.150 nan 0.000 0.489 341 P HA 0.128 nan 4.420 nan 0.000 0.271 341 P C 0.387 177.727 177.300 0.065 0.000 1.216 341 P CA -0.224 62.897 63.100 0.034 0.000 0.776 341 P CB 1.044 32.678 31.700 -0.110 0.000 0.881 342 R N 4.255 124.788 120.500 0.055 0.000 2.091 342 R HA -0.051 4.289 4.340 -0.000 0.000 0.238 342 R C 0.744 177.072 176.300 0.047 0.000 1.136 342 R CA 1.162 57.300 56.100 0.063 0.000 0.959 342 R CB -1.394 28.952 30.300 0.077 0.000 0.856 342 R HN 0.541 nan 8.270 nan 0.000 0.437 343 L N 1.307 122.545 121.223 0.026 0.000 3.573 343 L HA -0.200 4.140 4.340 -0.000 0.000 0.578 343 L C -0.941 175.928 176.870 -0.002 0.000 1.299 343 L CA 0.569 55.417 54.840 0.013 0.000 0.914 343 L CB -1.973 40.116 42.059 0.050 0.000 1.563 343 L HN 0.475 nan 8.230 nan 0.000 0.860 344 S N -0.604 115.095 115.700 -0.001 0.000 2.519 344 S HA 0.880 5.350 4.470 -0.000 0.000 0.309 344 S C -0.042 174.549 174.600 -0.015 0.000 1.100 344 S CA -0.098 58.079 58.200 -0.039 0.000 1.059 344 S CB 2.339 65.537 63.200 -0.005 0.000 1.008 344 S HN 0.598 nan 8.310 nan 0.000 0.478 345 A N 3.841 126.613 122.820 -0.080 0.000 2.303 345 A HA 0.781 5.101 4.320 -0.000 0.000 0.317 345 A C -0.271 177.324 177.584 0.017 0.000 1.149 345 A CA -0.920 51.090 52.037 -0.046 0.000 0.822 345 A CB 0.430 19.375 19.000 -0.092 0.000 1.131 345 A HN 0.931 nan 8.150 nan 0.000 0.493 346 I N 0.917 121.495 120.570 0.013 0.000 2.412 346 I HA 0.349 4.519 4.170 -0.000 0.000 0.296 346 I C -0.719 175.285 176.117 -0.188 0.000 0.987 346 I CA -0.219 61.025 61.300 -0.093 0.000 1.180 346 I CB 1.534 39.461 38.000 -0.122 0.000 1.340 346 I HN 0.560 nan 8.210 nan 0.000 0.455 347 C N 6.888 126.031 119.300 -0.261 0.000 2.547 347 C HA 0.565 5.025 4.460 -0.000 0.000 0.313 347 C C -0.217 174.655 174.990 -0.196 0.000 1.191 347 C CA -0.569 58.331 59.018 -0.195 0.000 1.474 347 C CB 1.442 29.071 27.740 -0.185 0.000 2.081 347 C HN 0.521 nan 8.230 nan 0.000 0.476 348 I N 3.541 124.037 120.570 -0.122 0.000 2.420 348 I HA 0.377 4.547 4.170 -0.000 0.000 0.282 348 I C 0.458 176.498 176.117 -0.129 0.000 1.019 348 I CA -0.068 61.162 61.300 -0.117 0.000 1.130 348 I CB 1.164 39.141 38.000 -0.038 0.000 1.262 348 I HN 0.755 nan 8.210 nan 0.000 0.454 349 A N 5.198 127.898 122.820 -0.201 0.000 2.437 349 A HA 0.151 4.471 4.320 -0.000 0.000 0.303 349 A C -0.000 177.134 177.584 -0.750 0.000 1.324 349 A CA -0.321 51.545 52.037 -0.285 0.000 0.983 349 A CB -0.101 18.858 19.000 -0.068 0.000 1.142 349 A HN 0.676 nan 8.150 nan 0.000 0.541 350 D N 1.961 122.169 120.400 -0.319 0.000 2.425 350 D HA 0.172 4.812 4.640 -0.000 0.000 0.247 350 D C -0.568 175.665 176.300 -0.112 0.000 1.147 350 D CA 0.253 54.123 54.000 -0.215 0.000 0.879 350 D CB 0.241 41.118 40.800 0.128 0.000 1.179 350 D HN 0.356 nan 8.370 nan 0.000 0.456 351 F N 1.791 121.791 119.950 0.082 0.000 2.805 351 F HA 0.314 4.841 4.527 -0.000 0.000 0.317 351 F C 1.563 177.343 175.800 -0.033 0.000 1.146 351 F CA -0.161 57.878 58.000 0.065 0.000 1.265 351 F CB 0.563 39.605 39.000 0.070 0.000 0.992 351 F HN 0.640 nan 8.300 nan 0.000 0.511 352 G N 0.797 109.616 108.800 0.031 0.000 5.064 352 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.277 352 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.277 352 G C 1.090 175.436 174.900 -0.924 0.000 1.580 352 G CA 0.432 45.224 45.100 -0.514 0.000 1.109 352 G HN 0.308 nan 8.290 nan 0.000 0.695 353 E N 1.077 120.786 120.200 -0.819 0.000 2.372 353 E HA 0.264 4.614 4.350 -0.000 0.000 0.201 353 E C 0.336 176.614 176.600 -0.537 0.000 0.938 353 E CA 0.729 56.674 56.400 -0.758 0.000 0.944 353 E CB 0.369 29.862 29.700 -0.345 0.000 0.937 353 E HN 0.663 nan 8.360 nan 0.000 0.495 354 D N -0.717 119.543 120.400 -0.233 0.000 2.553 354 D HA 0.653 5.293 4.640 -0.000 0.000 0.249 354 D C -0.731 175.538 176.300 -0.053 0.000 1.062 354 D CA -1.090 52.840 54.000 -0.117 0.000 1.085 354 D CB 1.376 42.172 40.800 -0.006 0.000 1.350 354 D HN 0.002 nan 8.370 nan 0.000 0.575 355 A N -1.116 121.605 122.820 -0.166 0.000 2.609 355 A HA 0.761 5.081 4.320 -0.000 0.000 0.291 355 A C -0.324 176.990 177.584 -0.450 0.000 1.096 355 A CA -0.533 51.236 52.037 -0.446 0.000 0.684 355 A CB 1.459 20.219 19.000 -0.400 0.000 1.282 355 A HN 0.765 nan 8.150 nan 0.000 0.412 356 G N -0.559 107.805 108.800 -0.726 0.000 2.348 356 G HA2 0.545 4.505 3.960 -0.000 0.000 0.312 356 G HA3 0.545 4.505 3.960 -0.000 0.000 0.312 356 G C -1.161 173.444 174.900 -0.492 0.000 1.126 356 G CA -0.257 44.594 45.100 -0.414 0.000 0.865 356 G HN 0.839 nan 8.290 nan 0.000 0.474 357 F N 2.967 122.463 119.950 -0.757 0.000 2.403 357 F HA 0.675 5.202 4.527 -0.000 0.000 0.355 357 F C -1.344 174.088 175.800 -0.613 0.000 1.119 357 F CA -1.598 56.073 58.000 -0.548 0.000 1.007 357 F CB 0.923 39.699 39.000 -0.373 0.000 1.194 357 F HN 0.283 nan 8.300 nan 0.000 0.443 358 F N 7.177 126.819 119.950 -0.513 0.000 2.467 358 F HA 0.451 4.978 4.527 -0.000 0.000 0.336 358 F C -0.873 174.636 175.800 -0.485 0.000 1.123 358 F CA -1.063 56.713 58.000 -0.373 0.000 0.964 358 F CB 1.586 40.406 39.000 -0.300 0.000 1.136 358 F HN 0.364 nan 8.300 nan 0.000 0.447 359 F N 2.754 122.528 119.950 -0.293 0.000 2.529 359 F HA 0.842 5.369 4.527 -0.000 0.000 0.320 359 F C -1.183 174.570 175.800 -0.078 0.000 1.118 359 F CA -0.705 57.148 58.000 -0.245 0.000 0.915 359 F CB 1.262 40.133 39.000 -0.217 0.000 1.161 359 F HN 0.560 nan 8.300 nan 0.000 0.445 360 A N 4.623 126.969 122.820 -0.791 0.000 2.375 360 A HA 0.526 4.846 4.320 -0.000 0.000 0.295 360 A C -1.982 175.141 177.584 -0.768 0.000 1.066 360 A CA -0.522 51.119 52.037 -0.660 0.000 0.722 360 A CB 1.231 20.049 19.000 -0.304 0.000 1.206 360 A HN 0.719 nan 8.150 nan 0.000 0.435 361 D N 3.485 123.481 120.400 -0.673 0.000 2.473 361 D HA 0.603 5.243 4.640 -0.000 0.000 0.253 361 D C -2.851 173.353 176.300 -0.160 0.000 1.233 361 D CA -1.373 52.403 54.000 -0.374 0.000 0.908 361 D CB 2.359 42.993 40.800 -0.276 0.000 1.170 361 D HN 0.238 nan 8.370 nan 0.000 0.558 362 P HA 0.124 nan 4.420 nan 0.000 0.278 362 P C 0.986 178.217 177.300 -0.115 0.000 1.258 362 P CA -0.683 62.362 63.100 -0.092 0.000 0.811 362 P CB 1.229 32.914 31.700 -0.026 0.000 1.063 363 V N 0.606 120.458 119.914 -0.103 0.000 2.332 363 V HA -0.181 3.939 4.120 -0.000 0.000 0.248 363 V C 1.275 177.334 176.094 -0.058 0.000 1.055 363 V CA 1.611 63.855 62.300 -0.094 0.000 1.038 363 V CB -0.789 30.991 31.823 -0.071 0.000 0.651 363 V HN 0.425 nan 8.190 nan 0.000 0.450 364 I N 1.837 122.392 120.570 -0.025 0.000 2.379 364 I HA 0.186 4.356 4.170 -0.000 0.000 0.290 364 I C -2.145 173.961 176.117 -0.017 0.000 1.063 364 I CA -1.747 59.547 61.300 -0.009 0.000 1.351 364 I CB 0.594 38.606 38.000 0.020 0.000 1.410 364 I HN 0.117 nan 8.210 nan 0.000 0.505 365 P HA 0.064 nan 4.420 nan 0.000 0.267 365 P C -2.341 174.954 177.300 -0.008 0.000 1.201 365 P CA -0.615 62.472 63.100 -0.022 0.000 0.775 365 P CB -0.275 31.411 31.700 -0.023 0.000 0.854 366 P HA 0.251 nan 4.420 nan 0.000 0.272 366 P C -0.487 176.801 177.300 -0.020 0.000 1.230 366 P CA -0.037 63.055 63.100 -0.012 0.000 0.788 366 P CB 0.732 32.429 31.700 -0.005 0.000 0.949 367 R N 1.094 121.577 120.500 -0.028 0.000 2.562 367 R HA 0.202 4.542 4.340 -0.000 0.000 0.298 367 R C 0.791 177.075 176.300 -0.027 0.000 0.961 367 R CA -0.584 55.490 56.100 -0.044 0.000 0.881 367 R CB 1.601 31.860 30.300 -0.068 0.000 1.159 367 R HN 0.443 nan 8.270 nan 0.000 0.450 368 E N 2.532 122.717 120.200 -0.024 0.000 2.046 368 E HA -0.109 4.241 4.350 -0.000 0.000 0.190 368 E C 0.096 176.707 176.600 0.017 0.000 0.982 368 E CA 1.442 57.846 56.400 0.006 0.000 0.800 368 E CB 0.397 30.112 29.700 0.026 0.000 0.756 368 E HN 0.552 nan 8.360 nan 0.000 0.449 369 R N -1.792 118.709 120.500 0.000 0.000 2.733 369 R HA 0.519 4.859 4.340 -0.000 0.000 0.272 369 R C -1.499 174.777 176.300 -0.039 0.000 1.029 369 R CA -0.518 55.600 56.100 0.030 0.000 0.888 369 R CB 1.193 31.564 30.300 0.118 0.000 1.251 369 R HN -0.019 nan 8.270 nan 0.000 0.464 370 V N -1.321 118.609 119.914 0.027 0.000 3.049 370 V HA 0.744 4.864 4.120 -0.000 0.000 0.309 370 V C -0.760 175.436 176.094 0.170 0.000 1.148 370 V CA -0.966 61.344 62.300 0.017 0.000 0.990 370 V CB 2.092 33.910 31.823 -0.008 0.000 1.039 370 V HN 0.799 nan 8.190 nan 0.000 0.430 371 I N 2.811 123.533 120.570 0.254 0.000 2.478 371 I HA 0.639 4.809 4.170 -0.000 0.000 0.287 371 I C -0.321 175.926 176.117 0.216 0.000 1.042 371 I CA -0.320 61.146 61.300 0.277 0.000 1.067 371 I CB 2.509 40.753 38.000 0.405 0.000 1.233 371 I HN 0.977 nan 8.210 nan 0.000 0.431 372 T N 2.660 117.311 114.554 0.162 0.000 2.815 372 T HA 0.664 5.014 4.350 -0.000 0.000 0.289 372 T C -0.621 174.112 174.700 0.054 0.000 1.000 372 T CA -0.830 61.305 62.100 0.059 0.000 0.958 372 T CB 1.332 70.277 68.868 0.130 0.000 0.944 372 T HN 0.486 nan 8.240 nan 0.000 0.442 373 K N 2.572 122.988 120.400 0.028 0.000 2.466 373 K HA 0.739 5.059 4.320 -0.000 0.000 0.260 373 K C -1.317 175.285 176.600 0.004 0.000 1.011 373 K CA -1.074 55.281 56.287 0.113 0.000 0.871 373 K CB 2.943 35.624 32.500 0.301 0.000 1.404 373 K HN 0.671 nan 8.250 nan 0.000 0.450 374 M N 0.772 120.413 119.600 0.069 0.000 2.322 374 M HA 0.551 5.031 4.480 -0.000 0.000 0.285 374 M C -1.592 174.736 176.300 0.047 0.000 1.119 374 M CA -0.134 55.164 55.300 -0.004 0.000 0.953 374 M CB 2.201 34.834 32.600 0.056 0.000 1.701 374 M HN 0.840 nan 8.290 nan 0.000 0.479 375 G N 2.834 111.557 108.800 -0.129 0.000 2.349 375 G HA2 0.219 4.179 3.960 -0.000 0.000 0.294 375 G HA3 0.219 4.179 3.960 -0.000 0.000 0.294 375 G C -0.867 173.904 174.900 -0.215 0.000 1.380 375 G CA -0.653 44.421 45.100 -0.043 0.000 0.811 375 G HN 0.770 nan 8.290 nan 0.000 0.519 376 K N -0.234 120.146 120.400 -0.034 0.000 2.148 376 K HA -0.017 4.303 4.320 -0.000 0.000 0.204 376 K C 2.179 178.740 176.600 -0.065 0.000 1.050 376 K CA 2.094 58.334 56.287 -0.078 0.000 0.942 376 K CB -0.071 32.468 32.500 0.066 0.000 0.724 376 K HN 0.665 nan 8.250 nan 0.000 0.446 377 W N 0.818 122.176 121.300 0.096 0.000 2.338 377 W HA -0.125 4.535 4.660 -0.000 0.000 0.304 377 W C 1.613 178.206 176.519 0.123 0.000 1.212 377 W CA 1.054 58.495 57.345 0.161 0.000 1.264 377 W CB -0.897 28.597 29.460 0.056 0.000 1.142 377 W HN 0.005 nan 8.180 nan 0.000 0.512 378 A N 0.858 122.996 122.820 -1.137 0.000 2.067 378 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 378 A C 2.178 179.555 177.584 -0.346 0.000 1.158 378 A CA 1.681 53.099 52.037 -1.032 0.000 0.661 378 A CB -1.447 16.715 19.000 -1.397 0.000 0.801 378 A HN 0.601 nan 8.150 nan 0.000 0.452 379 H N -1.465 117.367 119.070 -0.396 0.000 2.326 379 H HA -0.164 4.392 4.556 -0.000 0.000 0.301 379 H C 1.702 176.924 175.328 -0.178 0.000 1.081 379 H CA 2.127 57.981 56.048 -0.324 0.000 1.334 379 H CB -0.213 29.247 29.762 -0.503 0.000 1.385 379 H HN 0.525 nan 8.280 nan 0.000 0.504 380 Y N -0.344 119.960 120.300 0.007 0.000 2.293 380 Y HA -0.125 4.425 4.550 -0.000 0.000 0.291 380 Y C 2.664 178.575 175.900 0.018 0.000 1.137 380 Y CA 0.890 58.985 58.100 -0.008 0.000 1.202 380 Y CB -1.031 37.497 38.460 0.113 0.000 0.990 380 Y HN 0.170 nan 8.280 nan 0.000 0.537 381 F N 1.164 121.181 119.950 0.112 0.000 2.134 381 F HA -0.236 4.291 4.527 -0.000 0.000 0.299 381 F C 2.415 178.277 175.800 0.103 0.000 1.097 381 F CA 1.844 59.910 58.000 0.110 0.000 1.264 381 F CB -0.090 38.982 39.000 0.120 0.000 1.001 381 F HN -0.079 nan 8.300 nan 0.000 0.479 382 K N -0.163 120.389 120.400 0.254 0.000 2.057 382 K HA -0.147 4.173 4.320 -0.000 0.000 0.207 382 K C 1.862 178.528 176.600 0.109 0.000 1.049 382 K CA 2.200 58.608 56.287 0.202 0.000 0.931 382 K CB -0.650 31.899 32.500 0.081 0.000 0.714 382 K HN 0.217 nan 8.250 nan 0.000 0.440 383 T N 0.239 114.772 114.554 -0.036 0.000 2.821 383 T HA -0.065 4.285 4.350 -0.000 0.000 0.267 383 T C 1.836 176.525 174.700 -0.019 0.000 1.046 383 T CA 1.184 63.258 62.100 -0.044 0.000 1.139 383 T CB -0.399 68.427 68.868 -0.070 0.000 0.871 383 T HN 0.387 nan 8.240 nan 0.000 0.454 384 A N 1.081 123.876 122.820 -0.041 0.000 1.902 384 A HA -0.018 4.302 4.320 -0.000 0.000 0.217 384 A C 1.991 179.542 177.584 -0.055 0.000 1.181 384 A CA 1.231 53.207 52.037 -0.102 0.000 0.623 384 A CB -0.945 17.921 19.000 -0.224 0.000 0.818 384 A HN 0.480 nan 8.150 nan 0.000 0.443 385 F N 0.786 120.644 119.950 -0.152 0.000 2.234 385 F HA -0.085 4.442 4.527 -0.000 0.000 0.299 385 F C 2.118 177.967 175.800 0.081 0.000 1.087 385 F CA 1.772 59.794 58.000 0.037 0.000 1.340 385 F CB -0.127 38.956 39.000 0.139 0.000 1.031 385 F HN 0.454 nan 8.300 nan 0.000 0.500 386 E N 0.223 120.387 120.200 -0.060 0.000 2.051 386 E HA -0.213 4.137 4.350 -0.000 0.000 0.192 386 E C 2.014 178.361 176.600 -0.421 0.000 0.991 386 E CA 1.178 57.357 56.400 -0.368 0.000 0.799 386 E CB 0.046 29.695 29.700 -0.086 0.000 0.748 386 E HN 0.221 nan 8.360 nan 0.000 0.449 387 K N 0.157 120.443 120.400 -0.189 0.000 2.057 387 K HA -0.178 4.142 4.320 -0.000 0.000 0.206 387 K C 2.103 178.660 176.600 -0.072 0.000 1.050 387 K CA 1.136 57.355 56.287 -0.113 0.000 0.935 387 K CB -0.870 31.596 32.500 -0.057 0.000 0.715 387 K HN 0.305 nan 8.250 nan 0.000 0.439 388 Y N 0.733 120.903 120.300 -0.217 0.000 2.114 388 Y HA -0.197 4.353 4.550 -0.000 0.000 0.284 388 Y C 2.215 178.031 175.900 -0.139 0.000 1.143 388 Y CA 1.194 59.198 58.100 -0.160 0.000 1.135 388 Y CB -0.746 37.622 38.460 -0.153 0.000 0.980 388 Y HN -0.010 nan 8.280 nan 0.000 0.499 389 F N 0.123 119.593 119.950 -0.801 0.000 2.134 389 F HA -0.207 4.320 4.527 -0.000 0.000 0.299 389 F C 2.057 177.536 175.800 -0.534 0.000 1.097 389 F CA 1.601 59.107 58.000 -0.824 0.000 1.264 389 F CB -0.408 38.024 39.000 -0.947 0.000 1.001 389 F HN 0.063 nan 8.300 nan 0.000 0.479 390 L N -1.401 119.634 121.223 -0.315 0.000 2.191 390 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 390 L C 2.105 178.878 176.870 -0.162 0.000 1.103 390 L CA 1.311 56.028 54.840 -0.205 0.000 0.769 390 L CB -0.640 41.320 42.059 -0.165 0.000 0.908 390 L HN 0.453 nan 8.230 nan 0.000 0.438 391 W N 0.808 121.917 121.300 -0.317 0.000 2.443 391 W HA -0.126 4.534 4.660 -0.000 0.000 0.296 391 W C 2.411 178.750 176.519 -0.300 0.000 1.202 391 W CA 0.974 58.178 57.345 -0.234 0.000 1.312 391 W CB 0.118 29.486 29.460 -0.153 0.000 1.120 391 W HN -0.142 nan 8.180 nan 0.000 0.536 392 K N 0.118 120.322 120.400 -0.326 0.000 2.009 392 K HA -0.227 4.093 4.320 -0.000 0.000 0.210 392 K C 1.784 178.024 176.600 -0.599 0.000 1.049 392 K CA 2.270 58.211 56.287 -0.577 0.000 0.929 392 K CB -0.977 31.081 32.500 -0.737 0.000 0.714 392 K HN 0.084 nan 8.250 nan 0.000 0.440 393 V N 1.513 121.046 119.914 -0.636 0.000 2.282 393 V HA -0.288 3.832 4.120 -0.000 0.000 0.249 393 V C 2.197 178.163 176.094 -0.214 0.000 1.057 393 V CA 1.827 63.836 62.300 -0.485 0.000 1.032 393 V CB -0.525 30.893 31.823 -0.675 0.000 0.645 393 V HN 0.321 nan 8.190 nan 0.000 0.447 394 R N 0.009 120.337 120.500 -0.287 0.000 2.280 394 R HA -0.045 4.295 4.340 -0.000 0.000 0.207 394 R C 1.012 177.184 176.300 -0.213 0.000 1.043 394 R CA 1.184 57.170 56.100 -0.190 0.000 1.006 394 R CB -0.206 29.977 30.300 -0.194 0.000 0.885 394 R HN 0.580 nan 8.270 nan 0.000 0.467 395 N N -1.319 117.070 118.700 -0.518 0.000 2.200 395 N HA 0.130 4.870 4.740 -0.000 0.000 0.224 395 N C 0.229 175.292 175.510 -0.744 0.000 1.179 395 N CA 0.497 53.193 53.050 -0.590 0.000 0.877 395 N CB 1.881 39.664 38.487 -1.173 0.000 1.072 395 N HN 0.206 nan 8.380 nan 0.000 0.519 396 G N 0.680 108.813 108.800 -1.111 0.000 2.157 396 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.248 396 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.248 396 G C -0.201 174.060 174.900 -1.065 0.000 0.979 396 G CA -0.151 43.724 45.100 -2.043 0.000 0.650 396 G HN 0.399 nan 8.290 nan 0.000 0.529 397 N N -0.033 118.367 118.700 -0.500 0.000 2.558 397 N HA 0.441 5.181 4.740 -0.000 0.000 0.285 397 N C 0.902 176.298 175.510 -0.190 0.000 1.112 397 N CA -0.856 52.044 53.050 -0.250 0.000 0.857 397 N CB 0.717 39.077 38.487 -0.212 0.000 1.376 397 N HN -0.079 nan 8.380 nan 0.000 0.526 398 I N 0.901 121.383 120.570 -0.147 0.000 3.684 398 I HA 0.205 4.375 4.170 -0.000 0.000 0.304 398 I C 0.697 176.729 176.117 -0.142 0.000 1.278 398 I CA 0.372 61.511 61.300 -0.268 0.000 1.272 398 I CB -0.801 37.001 38.000 -0.330 0.000 1.029 398 I HN 0.526 nan 8.210 nan 0.000 0.458 399 A N 1.905 124.666 122.820 -0.098 0.000 3.308 399 A HA 0.541 4.861 4.320 -0.000 0.000 0.275 399 A C -2.463 175.075 177.584 -0.077 0.000 0.950 399 A CA -0.925 51.073 52.037 -0.066 0.000 0.987 399 A CB -0.329 18.646 19.000 -0.042 0.000 1.146 399 A HN -0.039 nan 8.150 nan 0.000 0.488 400 P HA 0.026 nan 4.420 nan 0.000 0.264 400 P C 1.344 178.539 177.300 -0.175 0.000 1.183 400 P CA 0.695 63.728 63.100 -0.112 0.000 0.763 400 P CB 1.057 32.607 31.700 -0.250 0.000 0.807 401 S N 3.298 118.979 115.700 -0.031 0.000 2.368 401 S HA -0.245 4.225 4.470 -0.000 0.000 0.225 401 S C 1.760 176.354 174.600 -0.010 0.000 1.030 401 S CA 1.364 59.559 58.200 -0.007 0.000 0.999 401 S CB -1.620 61.610 63.200 0.050 0.000 0.844 401 S HN 0.565 nan 8.310 nan 0.000 0.459 402 F N 2.027 122.012 119.950 0.059 0.000 2.250 402 F HA 0.052 4.579 4.527 -0.000 0.000 0.301 402 F C 2.228 178.069 175.800 0.067 0.000 1.077 402 F CA 1.332 59.363 58.000 0.051 0.000 1.348 402 F CB -0.595 38.429 39.000 0.040 0.000 1.040 402 F HN 0.261 nan 8.300 nan 0.000 0.509 403 E N 0.683 120.452 120.200 -0.718 0.000 2.072 403 E HA -0.238 4.112 4.350 -0.000 0.000 0.190 403 E C 2.238 178.775 176.600 -0.105 0.000 0.982 403 E CA 1.041 57.185 56.400 -0.427 0.000 0.803 403 E CB -0.242 29.201 29.700 -0.428 0.000 0.755 403 E HN 0.713 nan 8.360 nan 0.000 0.453 404 E N 0.748 120.887 120.200 -0.101 0.000 2.058 404 E HA -0.252 4.098 4.350 -0.000 0.000 0.194 404 E C 1.999 178.578 176.600 -0.036 0.000 0.997 404 E CA 1.379 57.747 56.400 -0.054 0.000 0.801 404 E CB 0.107 29.772 29.700 -0.059 0.000 0.746 404 E HN 0.039 nan 8.360 nan 0.000 0.450 405 K N -0.221 120.176 120.400 -0.004 0.000 2.063 405 K HA -0.143 4.177 4.320 -0.000 0.000 0.208 405 K C 2.072 178.713 176.600 0.069 0.000 1.048 405 K CA 1.499 57.802 56.287 0.028 0.000 0.928 405 K CB -0.029 32.512 32.500 0.069 0.000 0.713 405 K HN 0.029 nan 8.250 nan 0.000 0.442 406 V N 0.960 120.959 119.914 0.141 0.000 2.295 406 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 406 V C 2.064 178.323 176.094 0.274 0.000 1.049 406 V CA 1.313 63.769 62.300 0.260 0.000 1.024 406 V CB -0.405 31.602 31.823 0.306 0.000 0.648 406 V HN 0.244 nan 8.190 nan 0.000 0.447 407 L N -0.014 121.296 121.223 0.145 0.000 2.131 407 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 407 L C 2.417 179.311 176.870 0.041 0.000 1.092 407 L CA 1.789 56.684 54.840 0.091 0.000 0.759 407 L CB -1.199 40.889 42.059 0.049 0.000 0.903 407 L HN 0.472 nan 8.230 nan 0.000 0.435 408 E N -0.193 119.998 120.200 -0.015 0.000 2.077 408 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 408 E C 2.018 178.591 176.600 -0.045 0.000 0.989 408 E CA 1.342 57.684 56.400 -0.097 0.000 0.800 408 E CB 0.041 29.647 29.700 -0.156 0.000 0.746 408 E HN 0.605 nan 8.360 nan 0.000 0.452 409 I N -2.955 117.592 120.570 -0.037 0.000 3.968 409 I HA 0.134 4.304 4.170 -0.000 0.000 0.328 409 I C 0.953 176.928 176.117 -0.236 0.000 1.290 409 I CA 0.131 61.353 61.300 -0.129 0.000 1.163 409 I CB 0.027 37.918 38.000 -0.181 0.000 1.024 409 I HN -0.036 nan 8.210 nan 0.000 0.413 410 F N 0.948 120.865 119.950 -0.055 0.000 2.343 410 F HA 0.246 4.773 4.527 -0.000 0.000 0.286 410 F C 1.640 177.371 175.800 -0.115 0.000 1.057 410 F CA 0.747 58.697 58.000 -0.082 0.000 1.365 410 F CB 0.234 39.183 39.000 -0.085 0.000 1.114 410 F HN -0.011 nan 8.300 nan 0.000 0.545 411 L N -0.326 120.929 121.223 0.054 0.000 2.906 411 L HA 0.258 4.598 4.340 -0.000 0.000 0.255 411 L C 0.640 177.524 176.870 0.023 0.000 1.166 411 L CA 0.070 54.843 54.840 -0.111 0.000 0.977 411 L CB -0.383 41.406 42.059 -0.450 0.000 1.313 411 L HN -0.004 nan 8.230 nan 0.000 0.549 412 K N -0.906 119.528 120.400 0.057 0.000 3.130 412 K HA -0.170 4.150 4.320 -0.000 0.000 0.282 412 K C 0.197 176.905 176.600 0.181 0.000 1.145 412 K CA 0.333 56.689 56.287 0.114 0.000 0.831 412 K CB -1.814 30.769 32.500 0.139 0.000 1.226 412 K HN 0.092 nan 8.250 nan 0.000 0.478 413 V N 1.365 121.357 119.914 0.131 0.000 2.585 413 V HA -0.000 4.120 4.120 -0.000 0.000 0.296 413 V C 0.332 176.443 176.094 0.029 0.000 1.035 413 V CA 0.284 62.680 62.300 0.160 0.000 1.084 413 V CB 0.632 32.544 31.823 0.149 0.000 0.953 413 V HN 0.149 nan 8.190 nan 0.000 0.483 414 H N 6.563 125.679 119.070 0.076 0.000 2.646 414 H HA 0.338 4.894 4.556 -0.000 0.000 0.328 414 H C -1.616 173.733 175.328 0.035 0.000 0.998 414 H CA -1.603 54.472 56.048 0.045 0.000 1.225 414 H CB 1.664 31.449 29.762 0.039 0.000 1.457 414 H HN 0.380 nan 8.280 nan 0.000 0.505 415 P HA -0.104 nan 4.420 nan 0.000 0.216 415 P C 0.156 177.475 177.300 0.032 0.000 1.153 415 P CA 1.194 64.320 63.100 0.043 0.000 0.848 415 P CB 0.965 32.665 31.700 -0.000 0.000 0.787 416 I N -4.118 116.462 120.570 0.017 0.000 2.828 416 I HA 0.591 4.761 4.170 -0.000 0.000 0.302 416 I C -1.022 175.146 176.117 0.085 0.000 1.101 416 I CA -1.345 59.965 61.300 0.016 0.000 1.031 416 I CB 2.939 40.870 38.000 -0.116 0.000 1.231 416 I HN -0.294 nan 8.210 nan 0.000 0.427 417 E N 3.910 124.205 120.200 0.160 0.000 2.248 417 E HA 0.453 4.803 4.350 -0.000 0.000 0.267 417 E C -1.286 175.463 176.600 0.249 0.000 0.877 417 E CA -0.966 55.536 56.400 0.170 0.000 0.759 417 E CB 3.134 32.894 29.700 0.100 0.000 1.182 417 E HN 0.545 nan 8.360 nan 0.000 0.418 418 L N 2.499 123.840 121.223 0.197 0.000 2.597 418 L HA -0.002 4.338 4.340 -0.000 0.000 0.271 418 L C -0.119 176.744 176.870 -0.012 0.000 1.157 418 L CA -0.021 54.831 54.840 0.020 0.000 0.928 418 L CB 0.076 42.135 42.059 -0.000 0.000 1.216 418 L HN 0.551 nan 8.230 nan 0.000 0.481 419 c N 5.259 123.828 118.600 -0.052 0.000 2.369 419 c HA 0.138 4.708 4.570 -0.000 0.000 0.358 419 c C 1.533 175.601 174.090 -0.037 0.000 1.274 419 c CA -0.641 55.681 56.329 -0.012 0.000 1.935 419 c CB 0.486 43.012 42.510 0.027 0.000 2.431 419 c HN 0.908 nan 8.230 nan 0.000 0.545 420 K N 1.625 122.016 120.400 -0.016 0.000 2.379 420 K HA 0.108 4.428 4.320 -0.000 0.000 0.194 420 K C -0.422 176.173 176.600 -0.008 0.000 1.031 420 K CA 0.594 56.870 56.287 -0.017 0.000 1.037 420 K CB 0.161 32.654 32.500 -0.011 0.000 0.824 420 K HN 0.794 nan 8.250 nan 0.000 0.516 421 D N -0.827 119.573 120.400 0.001 0.000 2.354 421 D HA 0.096 4.736 4.640 -0.000 0.000 0.230 421 D C 0.091 176.398 176.300 0.013 0.000 1.361 421 D CA -0.491 53.511 54.000 0.004 0.000 0.992 421 D CB 0.385 41.187 40.800 0.003 0.000 1.409 421 D HN -0.063 nan 8.370 nan 0.000 0.573 422 c N 2.206 120.815 118.600 0.016 0.000 2.432 422 c HA 0.030 4.600 4.570 -0.000 0.000 0.282 422 c C 1.257 175.352 174.090 0.008 0.000 1.388 422 c CA 0.075 56.420 56.329 0.027 0.000 1.777 422 c CB -0.911 41.621 42.510 0.037 0.000 1.882 422 c HN 0.566 nan 8.230 nan 0.000 0.520 423 E N 0.536 120.734 120.200 -0.002 0.000 2.292 423 E HA 0.421 4.771 4.350 -0.000 0.000 0.265 423 E C 0.304 176.897 176.600 -0.013 0.000 1.093 423 E CA 0.310 56.701 56.400 -0.014 0.000 0.922 423 E CB -0.140 29.551 29.700 -0.016 0.000 1.001 423 E HN 0.571 nan 8.360 nan 0.000 0.444 424 G N 2.262 111.049 108.800 -0.022 0.000 2.347 424 G HA2 0.341 4.301 3.960 -0.000 0.000 0.303 424 G HA3 0.341 4.301 3.960 -0.000 0.000 0.303 424 G C -0.995 173.882 174.900 -0.038 0.000 1.481 424 G CA -0.528 44.560 45.100 -0.021 0.000 0.914 424 G HN 0.646 nan 8.290 nan 0.000 0.638 425 A N 1.291 124.089 122.820 -0.036 0.000 2.520 425 A HA 0.646 4.966 4.320 -0.000 0.000 0.235 425 A C -1.620 175.927 177.584 -0.061 0.000 1.065 425 A CA -0.398 51.606 52.037 -0.056 0.000 0.764 425 A CB -0.303 18.677 19.000 -0.033 0.000 1.002 425 A HN 0.578 nan 8.150 nan 0.000 0.502 426 P HA 0.226 nan 4.420 nan 0.000 0.268 426 P C 0.852 178.178 177.300 0.043 0.000 1.205 426 P CA 1.455 64.491 63.100 -0.106 0.000 0.771 426 P CB 0.766 32.201 31.700 -0.442 0.000 0.858 427 G N 1.452 110.325 108.800 0.123 0.000 2.175 427 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.244 427 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.244 427 G C 0.235 175.171 174.900 0.060 0.000 0.982 427 G CA 0.298 45.459 45.100 0.103 0.000 0.641 427 G HN 0.869 nan 8.290 nan 0.000 0.527 428 S N -0.448 115.279 115.700 0.046 0.000 2.616 428 S HA 0.791 5.261 4.470 -0.000 0.000 0.277 428 S C 0.036 174.659 174.600 0.039 0.000 1.234 428 S CA -0.628 57.591 58.200 0.032 0.000 1.028 428 S CB 1.912 65.122 63.200 0.017 0.000 0.988 428 S HN 0.408 nan 8.310 nan 0.000 0.522 429 R N 1.161 121.680 120.500 0.030 0.000 2.229 429 R HA 0.452 4.792 4.340 -0.000 0.000 0.328 429 R C 0.005 176.320 176.300 0.026 0.000 1.009 429 R CA -0.371 55.748 56.100 0.031 0.000 0.864 429 R CB -0.096 30.218 30.300 0.024 0.000 1.085 429 R HN 0.789 nan 8.270 nan 0.000 0.453 430 c N 0.000 118.618 118.600 0.030 0.000 2.653 430 c HA 0.000 4.570 4.570 -0.000 0.000 0.325 430 c CA 0.000 56.343 56.329 0.023 0.000 1.963 430 c CB 0.000 42.525 42.510 0.025 0.000 2.134 430 c HN 0.000 nan 8.230 nan 0.000 0.568