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 3ntg_1_C DATA FIRST_RESID 18 DATA SEQUENCE ANPccSNPcQ NRGEcMSTGF DQYKcDcTRT GFYGENcTTP EFLTRIKLLL DATA SEQUENCE KPTPNTVHYI LTHFKGVWNI VNNIPFLRSL IMKYVLTSRS YLIDSPPTYN DATA SEQUENCE VHYGYKSWEA FSNLSYYTRA LPPVADDcPT PMGVKGNKEL PDSKEVLEKV DATA SEQUENCE LLRREFIPDP QGSNMMFAFF AQHFTHQFFK TDHKRGPGFT RGLGHGVDLN DATA SEQUENCE HIYGETLDRQ HKLRLFKDGK LKYQVIGGEV YPPTVKDTQV EMIYPPHIPE DATA SEQUENCE NLQFAVGQEV FGLVPGLMMY ATIWLREHNR VCDILKQEHP EWGDEQLFQT DATA SEQUENCE SRLILIGETI KIVIEDYVQH LSGYHFKLKF DPELLFNQQF QYQNRIASEF DATA SEQUENCE NTLYHWHPLL PDTFNIEDQE YSFKQFLYNN SILLEHGLTQ FVESFTRQIA DATA SEQUENCE GRVAGGRNVP IAVQAVAKAS IDQSREMKYQ SLNEYRKRFS LKPYTSFEEL DATA SEQUENCE TGEKEMAAEL KALYSDIDVM ELYPALLVEK PRPDAIFGET MVELGAPFSL DATA SEQUENCE KGLMGNPICS PQYWKPSTFG GEVGFKIINT ASIQSLIcNN VKGcPFTSFN DATA SEQUENCE VQ 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 18 A HA 0.000 nan 4.320 nan 0.000 0.244 18 A C 0.000 177.633 177.584 0.081 0.000 1.274 18 A CA 0.000 52.078 52.037 0.068 0.000 0.836 18 A CB 0.000 19.044 19.000 0.074 0.000 0.831 19 N N 2.460 121.200 118.700 0.067 0.000 2.365 19 N HA 0.083 4.823 4.740 -0.001 0.000 0.265 19 N C -1.611 173.924 175.510 0.041 0.000 1.288 19 N CA -0.210 52.873 53.050 0.055 0.000 0.869 19 N CB 1.182 39.692 38.487 0.038 0.000 1.071 19 N HN 0.304 nan 8.380 nan 0.000 0.480 20 P HA 0.058 nan 4.420 nan 0.000 0.241 20 P C 0.537 177.811 177.300 -0.044 0.000 1.191 20 P CA 0.415 63.552 63.100 0.062 0.000 0.771 20 P CB 0.130 31.922 31.700 0.154 0.000 0.929 21 c N -0.987 117.573 118.600 -0.067 0.000 2.613 21 c HA 0.126 4.695 4.570 -0.001 0.000 0.273 21 c C 2.621 176.628 174.090 -0.139 0.000 1.304 21 c CA -0.191 56.039 56.329 -0.165 0.000 1.702 21 c CB -2.368 40.081 42.510 -0.101 0.000 1.792 21 c HN 0.344 nan 8.230 nan 0.000 0.588 22 c N 1.320 119.867 118.600 -0.087 0.000 2.422 22 c HA -0.094 4.475 4.570 -0.001 0.000 0.279 22 c C 2.844 176.885 174.090 -0.081 0.000 1.305 22 c CA 1.945 58.237 56.329 -0.062 0.000 1.757 22 c CB -1.268 41.228 42.510 -0.024 0.000 1.962 22 c HN 0.811 nan 8.230 nan 0.000 0.499 23 S N 0.568 116.201 115.700 -0.112 0.000 2.660 23 S HA -0.020 4.450 4.470 -0.001 0.000 0.223 23 S C 0.360 174.877 174.600 -0.138 0.000 0.963 23 S CA 0.259 58.394 58.200 -0.108 0.000 0.932 23 S CB -0.757 62.381 63.200 -0.103 0.000 0.775 23 S HN 0.662 nan 8.310 nan 0.000 0.531 24 N N 1.694 120.295 118.700 -0.165 0.000 2.688 24 N HA -0.097 4.643 4.740 -0.001 0.000 0.258 24 N C -2.127 173.267 175.510 -0.193 0.000 1.016 24 N CA 1.029 53.973 53.050 -0.176 0.000 0.747 24 N CB -1.206 37.191 38.487 -0.149 0.000 0.895 24 N HN 0.466 nan 8.380 nan 0.000 0.543 25 P HA 0.021 nan 4.420 nan 0.000 0.225 25 P C 0.265 177.472 177.300 -0.156 0.000 1.156 25 P CA 0.619 63.563 63.100 -0.260 0.000 0.787 25 P CB 0.249 31.613 31.700 -0.560 0.000 0.802 26 c N 2.220 120.731 118.600 -0.149 0.000 2.499 26 c HA 0.382 4.952 4.570 -0.001 0.000 0.386 26 c C 0.616 174.638 174.090 -0.113 0.000 1.293 26 c CA -0.605 55.678 56.329 -0.076 0.000 1.884 26 c CB -0.387 42.102 42.510 -0.036 0.000 2.509 26 c HN 0.242 nan 8.230 nan 0.000 0.566 27 Q N 1.712 121.433 119.800 -0.131 0.000 2.241 27 Q HA 0.346 4.685 4.340 -0.001 0.000 0.262 27 Q C 0.074 175.914 176.000 -0.268 0.000 1.014 27 Q CA -0.455 55.225 55.803 -0.205 0.000 0.885 27 Q CB 0.634 29.229 28.738 -0.239 0.000 1.311 27 Q HN 0.770 nan 8.270 nan 0.000 0.461 28 N N 1.659 120.163 118.700 -0.327 0.000 2.725 28 N HA -0.219 4.521 4.740 -0.001 0.000 0.251 28 N C -0.609 174.800 175.510 -0.168 0.000 1.031 28 N CA 0.837 53.678 53.050 -0.349 0.000 0.720 28 N CB -0.489 37.521 38.487 -0.795 0.000 0.930 28 N HN 0.699 nan 8.380 nan 0.000 0.543 29 R N -4.324 116.092 120.500 -0.139 0.000 3.989 29 R HA -0.160 4.179 4.340 -0.001 0.000 0.377 29 R C 0.895 177.174 176.300 -0.034 0.000 1.158 29 R CA 1.337 57.385 56.100 -0.086 0.000 1.035 29 R CB -2.307 27.953 30.300 -0.068 0.000 1.557 29 R HN 0.485 nan 8.270 nan 0.000 0.551 30 G N 0.968 109.745 108.800 -0.039 0.000 2.527 30 G HA2 0.336 4.296 3.960 -0.001 0.000 0.248 30 G HA3 0.336 4.296 3.960 -0.001 0.000 0.248 30 G C -0.247 174.658 174.900 0.008 0.000 1.231 30 G CA -0.396 44.707 45.100 0.004 0.000 0.838 30 G HN 0.193 nan 8.290 nan 0.000 0.570 31 E N -0.295 119.931 120.200 0.043 0.000 2.158 31 E HA 0.291 4.641 4.350 -0.001 0.000 0.271 31 E C -0.770 175.866 176.600 0.059 0.000 0.911 31 E CA -0.597 55.838 56.400 0.059 0.000 0.767 31 E CB 2.002 31.765 29.700 0.105 0.000 1.120 31 E HN 0.399 nan 8.360 nan 0.000 0.405 32 c N 4.708 123.327 118.600 0.032 0.000 2.452 32 c HA 0.567 5.137 4.570 -0.001 0.000 0.379 32 c C -0.244 173.886 174.090 0.066 0.000 1.275 32 c CA -0.298 56.054 56.329 0.039 0.000 2.056 32 c CB -0.479 41.995 42.510 -0.060 0.000 2.506 32 c HN 0.806 nan 8.230 nan 0.000 0.560 33 M N 5.548 125.208 119.600 0.100 0.000 2.326 33 M HA 0.384 4.863 4.480 -0.001 0.000 0.292 33 M C -0.024 176.332 176.300 0.093 0.000 1.081 33 M CA -0.095 55.251 55.300 0.077 0.000 0.919 33 M CB 2.060 34.695 32.600 0.059 0.000 1.634 33 M HN 0.808 nan 8.290 nan 0.000 0.451 34 S N 2.199 117.932 115.700 0.055 0.000 2.564 34 S HA 0.314 4.784 4.470 -0.001 0.000 0.278 34 S C 0.561 175.161 174.600 0.001 0.000 1.333 34 S CA 0.117 58.345 58.200 0.047 0.000 1.048 34 S CB 0.553 63.755 63.200 0.003 0.000 0.900 34 S HN 0.777 nan 8.310 nan 0.000 0.505 35 T N -1.364 113.188 114.554 -0.003 0.000 3.296 35 T HA 0.633 4.983 4.350 -0.001 0.000 0.285 35 T C 0.552 175.214 174.700 -0.063 0.000 1.014 35 T CA -0.068 62.010 62.100 -0.036 0.000 0.920 35 T CB -0.446 68.404 68.868 -0.029 0.000 1.143 35 T HN 1.601 nan 8.240 nan 0.000 0.522 36 G N 0.114 108.851 108.800 -0.105 0.000 2.368 36 G HA2 0.269 4.228 3.960 -0.001 0.000 0.302 36 G HA3 0.269 4.228 3.960 -0.001 0.000 0.302 36 G C -0.353 174.473 174.900 -0.124 0.000 1.329 36 G CA -0.822 44.193 45.100 -0.141 0.000 0.935 36 G HN 0.022 nan 8.290 nan 0.000 0.590 37 F N -0.050 119.912 119.950 0.021 0.000 2.216 37 F HA 0.094 4.621 4.527 -0.001 0.000 0.300 37 F C 1.805 177.626 175.800 0.034 0.000 1.085 37 F CA 1.716 59.730 58.000 0.024 0.000 1.326 37 F CB 0.391 39.402 39.000 0.018 0.000 1.027 37 F HN 0.275 nan 8.300 nan 0.000 0.497 38 D N -0.888 119.631 120.400 0.199 0.000 2.620 38 D HA 0.153 4.793 4.640 -0.001 0.000 0.260 38 D C -0.399 175.973 176.300 0.121 0.000 1.367 38 D CA 0.186 54.273 54.000 0.144 0.000 0.805 38 D CB 0.447 41.320 40.800 0.121 0.000 1.096 38 D HN 0.241 nan 8.370 nan 0.000 0.488 39 Q N 0.172 120.033 119.800 0.103 0.000 2.413 39 Q HA 0.577 4.917 4.340 -0.001 0.000 0.276 39 Q C -0.944 175.131 176.000 0.125 0.000 1.099 39 Q CA -0.990 54.854 55.803 0.068 0.000 0.814 39 Q CB 2.411 31.147 28.738 -0.003 0.000 1.379 39 Q HN 0.195 nan 8.270 nan 0.000 0.436 40 Y N -1.757 118.544 120.300 0.001 0.000 2.615 40 Y HA 0.900 5.450 4.550 -0.001 0.000 0.341 40 Y C -1.392 174.507 175.900 -0.001 0.000 1.089 40 Y CA -1.343 56.755 58.100 -0.004 0.000 1.049 40 Y CB 1.675 40.133 38.460 -0.002 0.000 1.296 40 Y HN 0.483 nan 8.280 nan 0.000 0.470 41 K N 1.258 121.743 120.400 0.142 0.000 2.427 41 K HA 0.679 4.999 4.320 -0.001 0.000 0.252 41 K C -2.028 174.691 176.600 0.199 0.000 0.931 41 K CA -0.325 55.998 56.287 0.060 0.000 0.793 41 K CB 1.620 34.130 32.500 0.017 0.000 1.211 41 K HN 0.955 nan 8.250 nan 0.000 0.426 42 c N 2.556 121.262 118.600 0.176 0.000 2.350 42 c HA 0.466 5.035 4.570 -0.001 0.000 0.348 42 c C -0.596 173.552 174.090 0.097 0.000 1.260 42 c CA -0.670 55.751 56.329 0.153 0.000 1.966 42 c CB 0.660 43.265 42.510 0.158 0.000 2.380 42 c HN 0.798 nan 8.230 nan 0.000 0.535 43 D N 1.356 121.806 120.400 0.083 0.000 2.412 43 D HA 0.272 4.912 4.640 -0.001 0.000 0.224 43 D C 0.148 176.493 176.300 0.074 0.000 1.093 43 D CA -0.333 53.709 54.000 0.071 0.000 0.850 43 D CB 0.745 41.583 40.800 0.062 0.000 1.046 43 D HN 0.629 nan 8.370 nan 0.000 0.507 44 c N 2.810 121.463 118.600 0.088 0.000 2.693 44 c HA 0.162 4.731 4.570 -0.001 0.000 0.286 44 c C 0.775 174.930 174.090 0.107 0.000 1.277 44 c CA -0.333 56.062 56.329 0.110 0.000 1.705 44 c CB -1.517 41.087 42.510 0.157 0.000 1.879 44 c HN 0.550 nan 8.230 nan 0.000 0.607 45 T N 1.915 116.516 114.554 0.078 0.000 2.750 45 T HA -0.006 4.344 4.350 -0.001 0.000 0.277 45 T C 0.975 175.715 174.700 0.067 0.000 0.996 45 T CA 0.771 62.908 62.100 0.063 0.000 1.195 45 T CB -0.138 68.756 68.868 0.043 0.000 0.963 45 T HN 0.636 nan 8.240 nan 0.000 0.516 46 R N 0.224 120.766 120.500 0.070 0.000 3.953 46 R HA -0.227 4.113 4.340 -0.001 0.000 0.340 46 R C 1.733 178.091 176.300 0.097 0.000 1.195 46 R CA 1.249 57.389 56.100 0.068 0.000 0.929 46 R CB -2.289 28.038 30.300 0.046 0.000 1.402 46 R HN 0.917 nan 8.270 nan 0.000 0.540 47 T N -4.161 110.474 114.554 0.134 0.000 3.055 47 T HA 0.159 4.509 4.350 -0.001 0.000 0.265 47 T C 1.557 176.436 174.700 0.298 0.000 1.111 47 T CA 0.968 63.185 62.100 0.196 0.000 1.118 47 T CB 0.521 69.508 68.868 0.198 0.000 0.909 47 T HN 0.710 nan 8.240 nan 0.000 0.501 48 G N 0.474 109.390 108.800 0.194 0.000 2.179 48 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.260 48 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.260 48 G C -0.099 174.754 174.900 -0.079 0.000 0.977 48 G CA 0.125 45.263 45.100 0.062 0.000 0.641 48 G HN 0.564 nan 8.290 nan 0.000 0.533 49 F N -0.721 119.277 119.950 0.080 0.000 2.640 49 F HA 0.822 5.349 4.527 -0.001 0.000 0.324 49 F C 0.308 176.202 175.800 0.157 0.000 1.077 49 F CA -0.754 57.278 58.000 0.054 0.000 0.965 49 F CB 1.516 40.507 39.000 -0.016 0.000 1.351 49 F HN 0.283 nan 8.300 nan 0.000 0.487 50 Y N -1.190 119.239 120.300 0.216 0.000 2.896 50 Y HA 0.893 5.443 4.550 -0.001 0.000 0.317 50 Y C -0.116 175.855 175.900 0.119 0.000 1.444 50 Y CA -1.467 56.711 58.100 0.129 0.000 1.084 50 Y CB 0.987 39.492 38.460 0.075 0.000 1.382 50 Y HN 1.098 nan 8.280 nan 0.000 0.471 51 G N 0.203 109.159 108.800 0.260 0.000 2.655 51 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.680 51 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.680 51 G C 0.163 175.123 174.900 0.101 0.000 1.302 51 G CA -0.044 45.127 45.100 0.118 0.000 0.872 51 G HN 1.145 nan 8.290 nan 0.000 0.540 52 E N -0.413 119.827 120.200 0.067 0.000 2.153 52 E HA -0.106 4.243 4.350 -0.001 0.000 0.194 52 E C 1.320 177.984 176.600 0.106 0.000 0.988 52 E CA 1.396 57.829 56.400 0.055 0.000 0.811 52 E CB -0.073 29.639 29.700 0.020 0.000 0.746 52 E HN 0.377 nan 8.360 nan 0.000 0.466 53 N N -0.612 118.142 118.700 0.089 0.000 2.235 53 N HA 0.086 4.826 4.740 -0.001 0.000 0.231 53 N C -0.651 174.867 175.510 0.014 0.000 1.177 53 N CA 0.276 53.376 53.050 0.083 0.000 0.874 53 N CB 0.520 39.043 38.487 0.061 0.000 1.097 53 N HN 0.100 nan 8.380 nan 0.000 0.518 54 c N 0.887 119.509 118.600 0.036 0.000 4.167 54 c HA -0.122 4.448 4.570 -0.001 0.000 0.302 54 c C 1.800 175.849 174.090 -0.069 0.000 1.384 54 c CA 1.141 57.490 56.329 0.034 0.000 2.041 54 c CB -3.072 39.447 42.510 0.016 0.000 1.303 54 c HN 0.604 nan 8.230 nan 0.000 0.718 55 T N -4.808 109.731 114.554 -0.025 0.000 2.971 55 T HA 0.151 4.500 4.350 -0.001 0.000 0.252 55 T C 0.349 175.140 174.700 0.151 0.000 1.022 55 T CA 0.689 62.776 62.100 -0.021 0.000 0.980 55 T CB 0.140 68.976 68.868 -0.053 0.000 1.044 55 T HN 0.559 nan 8.240 nan 0.000 0.501 56 T N 5.801 120.338 114.554 -0.028 0.000 2.723 56 T HA 0.398 4.748 4.350 -0.001 0.000 0.297 56 T C -2.655 171.819 174.700 -0.377 0.000 0.925 56 T CA -1.168 60.753 62.100 -0.299 0.000 1.030 56 T CB 1.057 69.490 68.868 -0.725 0.000 0.905 56 T HN 0.263 nan 8.240 nan 0.000 0.502 57 P HA 0.286 nan 4.420 nan 0.000 0.278 57 P C -0.088 177.048 177.300 -0.273 0.000 1.238 57 P CA -0.546 62.197 63.100 -0.596 0.000 0.794 57 P CB 1.134 32.468 31.700 -0.611 0.000 0.955 58 E N 0.729 120.815 120.200 -0.191 0.000 2.391 58 E HA 0.079 4.429 4.350 -0.001 0.000 0.255 58 E C 0.718 177.314 176.600 -0.007 0.000 1.187 58 E CA -0.343 56.092 56.400 0.059 0.000 0.941 58 E CB 0.204 29.942 29.700 0.063 0.000 1.010 58 E HN 0.372 nan 8.360 nan 0.000 0.458 59 F N 0.944 120.880 119.950 -0.024 0.000 2.084 59 F HA -0.181 4.346 4.527 -0.001 0.000 0.296 59 F C 1.994 177.761 175.800 -0.055 0.000 1.111 59 F CA 1.137 59.117 58.000 -0.034 0.000 1.224 59 F CB -0.110 38.880 39.000 -0.016 0.000 0.991 59 F HN 0.402 nan 8.300 nan 0.000 0.471 60 L N 0.100 121.433 121.223 0.184 0.000 2.129 60 L HA -0.216 4.124 4.340 -0.001 0.000 0.212 60 L C 2.057 178.895 176.870 -0.053 0.000 1.087 60 L CA 2.363 57.250 54.840 0.078 0.000 0.757 60 L CB -1.256 40.840 42.059 0.062 0.000 0.896 60 L HN 0.188 nan 8.230 nan 0.000 0.434 61 T N -0.604 113.874 114.554 -0.126 0.000 2.985 61 T HA -0.066 4.283 4.350 -0.001 0.000 0.266 61 T C 1.886 176.445 174.700 -0.235 0.000 1.076 61 T CA 1.002 62.975 62.100 -0.211 0.000 1.135 61 T CB -0.167 68.459 68.868 -0.403 0.000 0.890 61 T HN 0.424 nan 8.240 nan 0.000 0.480 62 R N 0.544 120.871 120.500 -0.287 0.000 2.073 62 R HA -0.023 4.317 4.340 -0.001 0.000 0.234 62 R C 2.152 178.323 176.300 -0.214 0.000 1.134 62 R CA 1.125 57.053 56.100 -0.286 0.000 0.952 62 R CB -0.662 29.376 30.300 -0.438 0.000 0.850 62 R HN 0.311 nan 8.270 nan 0.000 0.433 63 I N 1.619 122.062 120.570 -0.212 0.000 2.113 63 I HA -0.234 3.936 4.170 -0.001 0.000 0.238 63 I C 2.231 178.306 176.117 -0.070 0.000 1.070 63 I CA 1.543 62.770 61.300 -0.121 0.000 1.332 63 I CB -0.422 37.538 38.000 -0.066 0.000 1.044 63 I HN 0.031 nan 8.210 nan 0.000 0.402 64 K N 0.022 120.388 120.400 -0.057 0.000 2.160 64 K HA -0.170 4.150 4.320 -0.001 0.000 0.206 64 K C 2.133 178.726 176.600 -0.011 0.000 1.047 64 K CA 1.272 57.544 56.287 -0.025 0.000 0.930 64 K CB -0.351 32.139 32.500 -0.018 0.000 0.720 64 K HN 0.317 nan 8.250 nan 0.000 0.450 65 L N 0.236 121.443 121.223 -0.028 0.000 2.027 65 L HA -0.192 4.148 4.340 -0.001 0.000 0.206 65 L C 2.157 179.022 176.870 -0.009 0.000 1.074 65 L CA 0.658 55.497 54.840 -0.002 0.000 0.745 65 L CB -0.295 41.764 42.059 -0.001 0.000 0.898 65 L HN 0.109 nan 8.230 nan 0.000 0.433 66 L N -0.836 120.366 121.223 -0.034 0.000 2.083 66 L HA -0.227 4.113 4.340 -0.001 0.000 0.209 66 L C 2.286 179.145 176.870 -0.019 0.000 1.083 66 L CA 1.616 56.437 54.840 -0.031 0.000 0.752 66 L CB -0.695 41.334 42.059 -0.049 0.000 0.899 66 L HN 0.134 nan 8.230 nan 0.000 0.433 67 L N -0.907 120.306 121.223 -0.017 0.000 2.131 67 L HA -0.039 4.301 4.340 -0.001 0.000 0.206 67 L C 1.276 178.147 176.870 0.002 0.000 1.087 67 L CA 0.873 55.706 54.840 -0.011 0.000 0.767 67 L CB -0.636 41.415 42.059 -0.014 0.000 0.917 67 L HN 0.099 nan 8.230 nan 0.000 0.441 68 K N 2.315 122.724 120.400 0.016 0.000 2.430 68 K HA 0.025 4.344 4.320 -0.001 0.000 0.280 68 K C -2.107 174.513 176.600 0.035 0.000 1.063 68 K CA -1.080 55.229 56.287 0.038 0.000 1.071 68 K CB 0.276 32.810 32.500 0.057 0.000 0.899 68 K HN 0.005 nan 8.250 nan 0.000 0.473 69 P HA 0.046 nan 4.420 nan 0.000 0.276 69 P C -0.724 176.609 177.300 0.055 0.000 1.244 69 P CA -0.534 62.590 63.100 0.039 0.000 0.801 69 P CB 0.936 32.660 31.700 0.040 0.000 1.006 70 T N -1.291 113.293 114.554 0.049 0.000 2.919 70 T HA 0.174 4.524 4.350 -0.001 0.000 0.302 70 T C -1.729 173.020 174.700 0.081 0.000 1.031 70 T CA -1.345 60.786 62.100 0.053 0.000 1.127 70 T CB 0.006 68.895 68.868 0.035 0.000 0.952 70 T HN 0.165 nan 8.240 nan 0.000 0.540 71 P HA -0.163 nan 4.420 nan 0.000 0.218 71 P C 1.385 178.777 177.300 0.153 0.000 1.154 71 P CA 1.158 64.326 63.100 0.114 0.000 0.872 71 P CB -0.026 31.723 31.700 0.082 0.000 0.790 72 N N -1.647 117.123 118.700 0.118 0.000 2.223 72 N HA -0.082 4.658 4.740 -0.001 0.000 0.185 72 N C 1.597 177.233 175.510 0.210 0.000 1.016 72 N CA 1.394 54.533 53.050 0.148 0.000 0.863 72 N CB -1.047 37.493 38.487 0.090 0.000 0.983 72 N HN 0.208 nan 8.380 nan 0.000 0.429 73 T N 0.472 115.118 114.554 0.154 0.000 2.701 73 T HA -0.016 4.334 4.350 -0.001 0.000 0.263 73 T C 2.171 177.003 174.700 0.220 0.000 1.040 73 T CA 0.805 62.996 62.100 0.151 0.000 1.147 73 T CB -0.343 68.572 68.868 0.078 0.000 0.865 73 T HN -0.042 nan 8.240 nan 0.000 0.426 74 V N 1.550 121.573 119.914 0.183 0.000 2.407 74 V HA -0.195 3.925 4.120 -0.001 0.000 0.248 74 V C 2.448 178.646 176.094 0.174 0.000 1.055 74 V CA 1.612 64.007 62.300 0.160 0.000 1.049 74 V CB -0.782 31.115 31.823 0.123 0.000 0.662 74 V HN 0.627 nan 8.190 nan 0.000 0.455 75 H N -0.983 118.180 119.070 0.155 0.000 2.387 75 H HA -0.250 4.306 4.556 -0.001 0.000 0.299 75 H C 2.264 177.724 175.328 0.220 0.000 1.099 75 H CA 2.377 58.536 56.048 0.185 0.000 1.315 75 H CB -0.122 29.759 29.762 0.199 0.000 1.380 75 H HN 0.561 nan 8.280 nan 0.000 0.513 76 Y N 1.018 121.468 120.300 0.249 0.000 2.114 76 Y HA -0.180 4.370 4.550 -0.001 0.000 0.284 76 Y C 2.715 178.812 175.900 0.329 0.000 1.143 76 Y CA 1.935 60.197 58.100 0.270 0.000 1.135 76 Y CB -0.462 38.100 38.460 0.170 0.000 0.980 76 Y HN 0.095 nan 8.280 nan 0.000 0.499 77 I N -0.289 120.562 120.570 0.467 0.000 2.286 77 I HA -0.297 3.872 4.170 -0.001 0.000 0.248 77 I C 1.926 178.302 176.117 0.432 0.000 1.115 77 I CA 0.796 62.403 61.300 0.511 0.000 1.392 77 I CB -0.358 37.841 38.000 0.331 0.000 1.065 77 I HN 0.303 nan 8.210 nan 0.000 0.418 78 L N 0.532 121.779 121.223 0.040 0.000 2.465 78 L HA -0.066 4.274 4.340 -0.001 0.000 0.224 78 L C 2.090 178.676 176.870 -0.474 0.000 1.145 78 L CA 1.781 56.362 54.840 -0.432 0.000 0.834 78 L CB -1.226 40.189 42.059 -1.073 0.000 0.944 78 L HN 0.436 nan 8.230 nan 0.000 0.451 79 T N -5.403 108.962 114.554 -0.314 0.000 3.129 79 T HA 0.222 4.572 4.350 -0.001 0.000 0.267 79 T C 0.434 174.822 174.700 -0.521 0.000 1.018 79 T CA -0.317 61.454 62.100 -0.549 0.000 0.903 79 T CB 0.113 68.642 68.868 -0.564 0.000 1.067 79 T HN 0.199 nan 8.240 nan 0.000 0.549 80 H N -0.676 118.387 119.070 -0.012 0.000 3.218 80 H HA 0.605 5.161 4.556 -0.001 0.000 0.303 80 H C -0.601 174.985 175.328 0.430 0.000 1.605 80 H CA -1.620 54.438 56.048 0.016 0.000 1.298 80 H CB 0.401 29.851 29.762 -0.521 0.000 1.856 80 H HN 0.026 nan 8.280 nan 0.000 0.656 81 F N -0.217 119.930 119.950 0.328 0.000 3.027 81 F HA -0.271 4.256 4.527 -0.001 0.000 0.276 81 F C 1.623 177.583 175.800 0.267 0.000 0.967 81 F CA 0.624 58.760 58.000 0.227 0.000 0.929 81 F CB -1.041 38.042 39.000 0.138 0.000 0.873 81 F HN 0.497 nan 8.300 nan 0.000 0.787 82 K N 0.849 121.394 120.400 0.243 0.000 2.152 82 K HA -0.150 4.170 4.320 -0.001 0.000 0.206 82 K C 2.274 178.936 176.600 0.104 0.000 1.048 82 K CA 1.520 57.820 56.287 0.023 0.000 0.933 82 K CB -0.477 31.798 32.500 -0.375 0.000 0.721 82 K HN 0.590 nan 8.250 nan 0.000 0.447 83 G N 0.206 109.063 108.800 0.094 0.000 2.402 83 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.216 83 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.216 83 G C 1.444 176.389 174.900 0.075 0.000 1.162 83 G CA 0.741 45.884 45.100 0.071 0.000 0.777 83 G HN 0.184 nan 8.290 nan 0.000 0.539 84 V N -0.461 119.492 119.914 0.065 0.000 2.358 84 V HA -0.121 3.998 4.120 -0.001 0.000 0.246 84 V C 2.415 178.464 176.094 -0.075 0.000 1.047 84 V CA 1.529 63.787 62.300 -0.070 0.000 1.035 84 V CB -0.668 31.024 31.823 -0.219 0.000 0.658 84 V HN 0.577 nan 8.190 nan 0.000 0.452 85 W N 0.455 121.819 121.300 0.106 0.000 2.363 85 W HA -0.152 4.508 4.660 -0.000 0.000 0.296 85 W C 2.423 179.005 176.519 0.105 0.000 1.212 85 W CA 1.558 58.984 57.345 0.134 0.000 1.260 85 W CB -0.509 29.071 29.460 0.201 0.000 1.131 85 W HN 0.264 nan 8.180 nan 0.000 0.530 86 N N 0.527 119.391 118.700 0.273 0.000 2.104 86 N HA -0.209 4.531 4.740 -0.001 0.000 0.190 86 N C 1.607 177.191 175.510 0.122 0.000 1.024 86 N CA 1.652 54.796 53.050 0.158 0.000 0.853 86 N CB -0.270 38.271 38.487 0.089 0.000 1.008 86 N HN 0.060 nan 8.380 nan 0.000 0.424 87 I N -0.050 120.575 120.570 0.092 0.000 2.252 87 I HA -0.201 3.968 4.170 -0.001 0.000 0.245 87 I C 2.007 178.169 176.117 0.076 0.000 1.102 87 I CA 0.699 62.035 61.300 0.060 0.000 1.385 87 I CB -0.250 37.761 38.000 0.019 0.000 1.064 87 I HN 0.044 nan 8.210 nan 0.000 0.414 88 V N 1.418 121.387 119.914 0.092 0.000 2.343 88 V HA -0.266 3.854 4.120 -0.001 0.000 0.247 88 V C 2.096 178.318 176.094 0.214 0.000 1.051 88 V CA 1.826 64.203 62.300 0.129 0.000 1.036 88 V CB -0.881 31.029 31.823 0.145 0.000 0.654 88 V HN 0.459 nan 8.190 nan 0.000 0.451 89 N N 0.879 119.730 118.700 0.252 0.000 2.272 89 N HA -0.123 4.617 4.740 -0.001 0.000 0.185 89 N C 1.309 176.879 175.510 0.101 0.000 1.014 89 N CA 1.056 54.203 53.050 0.162 0.000 0.870 89 N CB -0.425 38.135 38.487 0.121 0.000 0.975 89 N HN 0.506 nan 8.380 nan 0.000 0.433 90 N N 0.306 119.065 118.700 0.099 0.000 2.268 90 N HA 0.152 4.891 4.740 -0.001 0.000 0.204 90 N C -0.327 175.239 175.510 0.093 0.000 1.124 90 N CA 0.076 53.174 53.050 0.081 0.000 0.838 90 N CB 0.904 39.431 38.487 0.067 0.000 0.994 90 N HN 0.259 nan 8.380 nan 0.000 0.489 91 I N 1.552 122.186 120.570 0.107 0.000 2.388 91 I HA 0.215 4.384 4.170 -0.001 0.000 0.281 91 I C -1.555 174.650 176.117 0.147 0.000 1.046 91 I CA -1.989 59.394 61.300 0.138 0.000 1.187 91 I CB 1.935 40.008 38.000 0.121 0.000 1.351 91 I HN -0.289 nan 8.210 nan 0.000 0.472 92 P HA -0.274 nan 4.420 nan 0.000 0.216 92 P C 1.620 179.035 177.300 0.191 0.000 1.167 92 P CA 1.892 65.092 63.100 0.166 0.000 0.914 92 P CB -0.007 31.793 31.700 0.166 0.000 0.793 93 F N -1.824 118.166 119.950 0.066 0.000 2.407 93 F HA 0.010 4.537 4.527 -0.001 0.000 0.299 93 F C 1.918 177.762 175.800 0.075 0.000 1.097 93 F CA 0.746 58.783 58.000 0.063 0.000 1.422 93 F CB -1.065 37.963 39.000 0.047 0.000 1.067 93 F HN -0.195 nan 8.300 nan 0.000 0.539 94 L N 0.446 121.223 121.223 -0.744 0.000 2.044 94 L HA -0.075 4.265 4.340 -0.001 0.000 0.205 94 L C 2.975 179.770 176.870 -0.126 0.000 1.075 94 L CA 1.194 55.666 54.840 -0.612 0.000 0.747 94 L CB -0.494 41.296 42.059 -0.448 0.000 0.903 94 L HN 0.192 nan 8.230 nan 0.000 0.435 95 R N -0.418 120.124 120.500 0.069 0.000 2.083 95 R HA -0.173 4.167 4.340 -0.001 0.000 0.237 95 R C 2.333 178.791 176.300 0.263 0.000 1.137 95 R CA 2.008 58.298 56.100 0.317 0.000 0.951 95 R CB -0.146 30.279 30.300 0.208 0.000 0.851 95 R HN 0.245 nan 8.270 nan 0.000 0.434 96 S N 1.367 117.146 115.700 0.131 0.000 2.359 96 S HA -0.189 4.281 4.470 -0.001 0.000 0.224 96 S C 1.871 176.527 174.600 0.092 0.000 1.035 96 S CA 1.501 59.764 58.200 0.107 0.000 1.018 96 S CB -0.375 62.883 63.200 0.096 0.000 0.876 96 S HN 0.441 nan 8.310 nan 0.000 0.448 97 L N 1.139 122.386 121.223 0.040 0.000 2.083 97 L HA -0.074 4.266 4.340 -0.001 0.000 0.209 97 L C 1.932 178.826 176.870 0.041 0.000 1.083 97 L CA 1.271 56.124 54.840 0.022 0.000 0.752 97 L CB -0.245 41.776 42.059 -0.063 0.000 0.899 97 L HN 0.251 nan 8.230 nan 0.000 0.433 98 I N -0.465 120.120 120.570 0.025 0.000 2.233 98 I HA -0.279 3.890 4.170 -0.001 0.000 0.243 98 I C 2.537 178.715 176.117 0.102 0.000 1.093 98 I CA 1.444 62.727 61.300 -0.028 0.000 1.380 98 I CB -0.646 37.163 38.000 -0.318 0.000 1.067 98 I HN 0.427 nan 8.210 nan 0.000 0.413 99 M N 1.179 120.923 119.600 0.240 0.000 2.159 99 M HA -0.224 4.255 4.480 -0.001 0.000 0.263 99 M C 2.228 178.617 176.300 0.148 0.000 1.063 99 M CA 1.802 57.266 55.300 0.272 0.000 1.110 99 M CB -0.454 32.319 32.600 0.289 0.000 1.374 99 M HN 0.012 nan 8.290 nan 0.000 0.411 100 K N -1.339 119.130 120.400 0.114 0.000 2.032 100 K HA -0.260 4.060 4.320 -0.001 0.000 0.209 100 K C 2.114 178.768 176.600 0.091 0.000 1.048 100 K CA 1.933 58.260 56.287 0.067 0.000 0.927 100 K CB -0.549 31.989 32.500 0.064 0.000 0.712 100 K HN 0.489 nan 8.250 nan 0.000 0.441 101 Y N 1.101 121.413 120.300 0.019 0.000 2.242 101 Y HA -0.205 4.344 4.550 -0.001 0.000 0.291 101 Y C 1.956 177.885 175.900 0.048 0.000 1.137 101 Y CA 1.573 59.686 58.100 0.022 0.000 1.181 101 Y CB -0.209 38.249 38.460 -0.003 0.000 0.989 101 Y HN 0.030 nan 8.280 nan 0.000 0.527 102 V N -1.113 118.843 119.914 0.070 0.000 2.358 102 V HA -0.204 3.916 4.120 -0.001 0.000 0.246 102 V C 2.021 178.106 176.094 -0.014 0.000 1.047 102 V CA 1.764 64.075 62.300 0.018 0.000 1.035 102 V CB -0.906 31.003 31.823 0.143 0.000 0.658 102 V HN 0.342 nan 8.190 nan 0.000 0.452 103 L N 1.985 123.215 121.223 0.010 0.000 1.989 103 L HA -0.114 4.225 4.340 -0.001 0.000 0.211 103 L C 3.097 179.966 176.870 -0.002 0.000 1.071 103 L CA 3.001 57.837 54.840 -0.006 0.000 0.749 103 L CB -1.585 40.431 42.059 -0.071 0.000 0.890 103 L HN 0.741 nan 8.230 nan 0.000 0.431 104 T N -3.686 110.848 114.554 -0.034 0.000 2.777 104 T HA -0.167 4.183 4.350 -0.001 0.000 0.266 104 T C 2.081 176.799 174.700 0.030 0.000 1.040 104 T CA 1.450 63.563 62.100 0.021 0.000 1.141 104 T CB -0.809 68.061 68.868 0.003 0.000 0.868 104 T HN 0.391 nan 8.240 nan 0.000 0.444 105 S N 1.185 116.797 115.700 -0.148 0.000 2.402 105 S HA -0.024 4.446 4.470 -0.001 0.000 0.229 105 S C 2.289 176.953 174.600 0.106 0.000 1.021 105 S CA 0.721 58.883 58.200 -0.063 0.000 0.974 105 S CB -0.450 62.410 63.200 -0.567 0.000 0.800 105 S HN 0.396 nan 8.310 nan 0.000 0.484 106 R N 1.357 121.857 120.500 0.001 0.000 2.075 106 R HA 0.258 4.598 4.340 -0.001 0.000 0.226 106 R C 2.562 178.842 176.300 -0.033 0.000 1.114 106 R CA 1.473 57.564 56.100 -0.015 0.000 0.972 106 R CB -0.808 29.502 30.300 0.017 0.000 0.869 106 R HN 0.485 nan 8.270 nan 0.000 0.437 107 S N -0.158 115.577 115.700 0.058 0.000 2.423 107 S HA -0.149 4.320 4.470 -0.001 0.000 0.231 107 S C 1.505 176.115 174.600 0.016 0.000 1.014 107 S CA 1.037 59.283 58.200 0.077 0.000 0.965 107 S CB -0.388 62.979 63.200 0.279 0.000 0.785 107 S HN 0.577 nan 8.310 nan 0.000 0.495 108 Y N 1.337 121.620 120.300 -0.028 0.000 2.569 108 Y HA 0.063 4.612 4.550 -0.001 0.000 0.293 108 Y C 1.478 177.325 175.900 -0.087 0.000 1.144 108 Y CA 0.496 58.563 58.100 -0.054 0.000 1.321 108 Y CB -0.378 38.055 38.460 -0.046 0.000 0.982 108 Y HN 0.074 nan 8.280 nan 0.000 0.558 109 L N 0.829 121.666 121.223 -0.643 0.000 2.376 109 L HA 0.020 4.360 4.340 -0.001 0.000 0.219 109 L C 0.595 177.226 176.870 -0.398 0.000 1.133 109 L CA 0.525 54.985 54.840 -0.634 0.000 0.816 109 L CB -0.849 40.909 42.059 -0.501 0.000 0.933 109 L HN 0.269 nan 8.230 nan 0.000 0.449 110 I N 0.397 120.824 120.570 -0.238 0.000 2.385 110 I HA 0.144 4.314 4.170 -0.001 0.000 0.294 110 I C -0.020 176.030 176.117 -0.112 0.000 0.988 110 I CA -0.861 60.353 61.300 -0.144 0.000 1.265 110 I CB 1.082 39.033 38.000 -0.082 0.000 1.388 110 I HN -0.076 nan 8.210 nan 0.000 0.480 111 D N 4.247 124.599 120.400 -0.079 0.000 2.339 111 D HA 0.199 4.838 4.640 -0.001 0.000 0.256 111 D C 0.074 176.326 176.300 -0.080 0.000 1.214 111 D CA 0.424 54.376 54.000 -0.080 0.000 0.877 111 D CB 0.949 41.700 40.800 -0.081 0.000 1.111 111 D HN 0.409 nan 8.370 nan 0.000 0.478 112 S N 2.842 118.484 115.700 -0.097 0.000 2.706 112 S HA 0.388 4.857 4.470 -0.001 0.000 0.270 112 S C -2.800 171.739 174.600 -0.101 0.000 1.163 112 S CA -1.279 56.857 58.200 -0.107 0.000 1.042 112 S CB 0.858 63.963 63.200 -0.158 0.000 1.079 112 S HN -0.007 nan 8.310 nan 0.000 0.474 113 P HA 0.221 nan 4.420 nan 0.000 0.266 113 P C -2.473 174.806 177.300 -0.034 0.000 1.193 113 P CA -0.673 62.423 63.100 -0.006 0.000 0.770 113 P CB -0.170 31.543 31.700 0.022 0.000 0.836 114 P HA 0.039 nan 4.420 nan 0.000 0.274 114 P C 0.121 177.345 177.300 -0.127 0.000 1.246 114 P CA -0.039 63.007 63.100 -0.090 0.000 0.795 114 P CB 0.775 32.394 31.700 -0.135 0.000 1.006 115 T N -1.640 112.785 114.554 -0.214 0.000 3.330 115 T HA 0.209 4.559 4.350 -0.001 0.000 0.185 115 T C 0.538 175.005 174.700 -0.388 0.000 0.874 115 T CA 0.117 61.964 62.100 -0.421 0.000 1.268 115 T CB -0.826 67.596 68.868 -0.744 0.000 1.866 115 T HN 0.278 nan 8.240 nan 0.000 0.395 116 Y N 3.430 123.685 120.300 -0.075 0.000 2.326 116 Y HA 0.612 5.161 4.550 -0.001 0.000 0.324 116 Y C 0.807 176.636 175.900 -0.118 0.000 1.291 116 Y CA -0.767 57.278 58.100 -0.093 0.000 1.348 116 Y CB 0.616 39.041 38.460 -0.058 0.000 1.294 116 Y HN 0.734 nan 8.280 nan 0.000 0.525 117 N N -2.261 116.452 118.700 0.023 0.000 3.387 117 N HA 0.167 4.906 4.740 -0.001 0.000 0.322 117 N C -0.144 175.333 175.510 -0.055 0.000 1.588 117 N CA -0.718 52.288 53.050 -0.073 0.000 0.778 117 N CB 0.365 38.666 38.487 -0.309 0.000 1.883 117 N HN 0.414 nan 8.380 nan 0.000 0.628 118 V N -0.278 119.588 119.914 -0.081 0.000 2.469 118 V HA -0.192 3.928 4.120 -0.001 0.000 0.251 118 V C 1.115 177.191 176.094 -0.029 0.000 1.064 118 V CA 1.975 64.236 62.300 -0.064 0.000 1.066 118 V CB -0.928 30.810 31.823 -0.141 0.000 0.667 118 V HN 0.692 nan 8.190 nan 0.000 0.461 119 H N -3.100 115.947 119.070 -0.038 0.000 2.622 119 H HA 0.238 4.794 4.556 -0.001 0.000 0.269 119 H C -0.545 174.413 175.328 -0.617 0.000 0.977 119 H CA -0.105 55.806 56.048 -0.227 0.000 1.179 119 H CB 0.395 30.065 29.762 -0.153 0.000 1.458 119 H HN 0.470 nan 8.280 nan 0.000 0.531 120 Y N -0.138 120.080 120.300 -0.137 0.000 2.332 120 Y HA 0.327 4.876 4.550 -0.001 0.000 0.326 120 Y C 0.785 176.565 175.900 -0.200 0.000 0.978 120 Y CA -0.881 57.017 58.100 -0.338 0.000 1.205 120 Y CB 1.935 40.121 38.460 -0.457 0.000 1.131 120 Y HN 0.068 nan 8.280 nan 0.000 0.462 121 G N 2.758 111.502 108.800 -0.092 0.000 3.448 121 G HA2 0.234 4.194 3.960 -0.001 0.000 0.261 121 G HA3 0.234 4.194 3.960 -0.001 0.000 0.261 121 G C -0.666 174.332 174.900 0.164 0.000 1.173 121 G CA 0.103 45.179 45.100 -0.039 0.000 0.835 121 G HN 0.572 nan 8.290 nan 0.000 0.534 122 Y N -2.676 117.827 120.300 0.337 0.000 2.597 122 Y HA 0.667 5.217 4.550 -0.001 0.000 0.340 122 Y C -0.321 175.748 175.900 0.283 0.000 1.097 122 Y CA -2.153 56.154 58.100 0.345 0.000 1.037 122 Y CB 0.919 39.500 38.460 0.202 0.000 1.305 122 Y HN -0.200 nan 8.280 nan 0.000 0.463 123 K N 1.982 122.554 120.400 0.286 0.000 2.326 123 K HA 0.580 4.899 4.320 -0.001 0.000 0.275 123 K C -0.461 176.199 176.600 0.100 0.000 1.018 123 K CA 0.041 56.340 56.287 0.020 0.000 0.962 123 K CB 0.883 33.343 32.500 -0.065 0.000 0.953 123 K HN 0.917 nan 8.250 nan 0.000 0.475 124 S N 0.408 116.054 115.700 -0.089 0.000 2.596 124 S HA 0.182 4.652 4.470 -0.001 0.000 0.270 124 S C -0.051 174.500 174.600 -0.081 0.000 1.155 124 S CA -1.114 57.046 58.200 -0.066 0.000 0.827 124 S CB 0.619 63.624 63.200 -0.325 0.000 1.130 124 S HN 0.902 nan 8.310 nan 0.000 0.467 125 W N 1.049 122.299 121.300 -0.084 0.000 2.425 125 W HA -0.041 4.619 4.660 -0.001 0.000 0.277 125 W C 1.544 178.046 176.519 -0.029 0.000 1.231 125 W CA 2.098 59.441 57.345 -0.004 0.000 1.248 125 W CB -0.055 29.414 29.460 0.016 0.000 1.117 125 W HN 1.038 nan 8.180 nan 0.000 0.568 126 E N 0.876 121.002 120.200 -0.123 0.000 2.028 126 E HA -0.148 4.202 4.350 -0.001 0.000 0.191 126 E C 2.260 178.625 176.600 -0.392 0.000 0.988 126 E CA 2.397 58.671 56.400 -0.210 0.000 0.799 126 E CB -0.749 28.798 29.700 -0.255 0.000 0.755 126 E HN 0.049 nan 8.360 nan 0.000 0.447 127 A N -0.019 122.414 122.820 -0.646 0.000 1.902 127 A HA -0.136 4.183 4.320 -0.001 0.000 0.217 127 A C 2.240 179.571 177.584 -0.423 0.000 1.181 127 A CA 1.534 53.233 52.037 -0.563 0.000 0.623 127 A CB -1.010 17.680 19.000 -0.515 0.000 0.818 127 A HN 0.485 nan 8.150 nan 0.000 0.443 128 F N 2.018 121.640 119.950 -0.547 0.000 2.113 128 F HA -0.170 4.356 4.527 -0.000 0.000 0.297 128 F C 2.575 178.028 175.800 -0.578 0.000 1.103 128 F CA 2.164 59.802 58.000 -0.603 0.000 1.248 128 F CB -0.313 38.180 39.000 -0.844 0.000 0.999 128 F HN 0.281 nan 8.300 nan 0.000 0.475 129 S N -0.920 114.292 115.700 -0.813 0.000 2.478 129 S HA 0.008 4.478 4.470 -0.001 0.000 0.222 129 S C 0.899 175.291 174.600 -0.346 0.000 1.008 129 S CA 0.042 57.843 58.200 -0.664 0.000 0.928 129 S CB -0.675 62.351 63.200 -0.290 0.000 0.781 129 S HN 0.375 nan 8.310 nan 0.000 0.518 130 N N 2.061 120.639 118.700 -0.204 0.000 2.439 130 N HA 0.236 4.976 4.740 -0.001 0.000 0.243 130 N C 0.479 175.999 175.510 0.017 0.000 1.088 130 N CA -0.204 52.855 53.050 0.015 0.000 0.940 130 N CB 0.356 38.989 38.487 0.244 0.000 1.180 130 N HN 0.350 nan 8.380 nan 0.000 0.505 131 L N 1.667 122.876 121.223 -0.024 0.000 2.551 131 L HA -0.035 4.305 4.340 -0.001 0.000 0.228 131 L C 1.651 178.602 176.870 0.136 0.000 1.153 131 L CA 0.382 55.232 54.840 0.016 0.000 0.851 131 L CB -0.099 41.966 42.059 0.010 0.000 0.959 131 L HN 0.418 nan 8.230 nan 0.000 0.451 132 S N -1.648 114.108 115.700 0.092 0.000 2.489 132 S HA 0.005 4.475 4.470 -0.001 0.000 0.228 132 S C 0.426 175.019 174.600 -0.012 0.000 0.995 132 S CA 0.198 58.425 58.200 0.044 0.000 0.934 132 S CB -0.127 63.110 63.200 0.062 0.000 0.771 132 S HN 0.225 nan 8.310 nan 0.000 0.522 133 Y N 0.734 120.988 120.300 -0.077 0.000 2.309 133 Y HA 0.268 4.818 4.550 -0.000 0.000 0.327 133 Y C 0.231 176.015 175.900 -0.193 0.000 1.172 133 Y CA -0.852 57.048 58.100 -0.332 0.000 1.280 133 Y CB 0.264 38.542 38.460 -0.304 0.000 1.234 133 Y HN 0.075 nan 8.280 nan 0.000 0.512 134 Y N 0.988 121.311 120.300 0.038 0.000 2.480 134 Y HA 0.062 4.612 4.550 -0.001 0.000 0.338 134 Y C 1.036 176.962 175.900 0.043 0.000 1.220 134 Y CA 0.049 58.203 58.100 0.089 0.000 1.430 134 Y CB 0.472 38.947 38.460 0.025 0.000 1.311 134 Y HN 0.532 nan 8.280 nan 0.000 0.575 135 T N 3.161 117.834 114.554 0.197 0.000 2.788 135 T HA 0.420 4.770 4.350 -0.001 0.000 0.280 135 T C -0.339 174.418 174.700 0.095 0.000 0.984 135 T CA -0.717 61.425 62.100 0.070 0.000 0.972 135 T CB 0.328 69.199 68.868 0.006 0.000 1.039 135 T HN 0.411 nan 8.240 nan 0.000 0.530 136 R N 1.166 121.725 120.500 0.100 0.000 2.476 136 R HA 0.532 4.872 4.340 -0.001 0.000 0.305 136 R C 0.702 177.131 176.300 0.215 0.000 0.965 136 R CA -0.451 55.723 56.100 0.123 0.000 0.867 136 R CB 1.366 31.723 30.300 0.096 0.000 1.176 136 R HN 0.727 nan 8.270 nan 0.000 0.447 137 A N 3.872 126.860 122.820 0.281 0.000 1.969 137 A HA 0.063 4.382 4.320 -0.001 0.000 0.218 137 A C 0.707 178.438 177.584 0.245 0.000 1.169 137 A CA 1.084 53.352 52.037 0.385 0.000 0.635 137 A CB 0.177 19.608 19.000 0.717 0.000 0.810 137 A HN 0.486 nan 8.150 nan 0.000 0.445 138 L N 0.107 121.426 121.223 0.159 0.000 2.401 138 L HA 0.373 4.712 4.340 -0.001 0.000 0.266 138 L C -2.551 174.212 176.870 -0.178 0.000 0.991 138 L CA -2.567 52.209 54.840 -0.107 0.000 0.818 138 L CB 2.644 44.458 42.059 -0.409 0.000 1.321 138 L HN -0.005 nan 8.230 nan 0.000 0.413 139 P HA 0.131 nan 4.420 nan 0.000 0.270 139 P C -2.678 174.483 177.300 -0.232 0.000 1.223 139 P CA -1.153 61.651 63.100 -0.493 0.000 0.785 139 P CB -0.361 30.803 31.700 -0.893 0.000 0.923 140 P HA 0.025 nan 4.420 nan 0.000 0.272 140 P C -0.252 177.024 177.300 -0.041 0.000 1.223 140 P CA 0.010 63.092 63.100 -0.030 0.000 0.784 140 P CB 0.347 32.059 31.700 0.019 0.000 0.923 141 V N 2.053 121.968 119.914 0.003 0.000 2.572 141 V HA 0.193 4.312 4.120 -0.001 0.000 0.291 141 V C 1.173 177.277 176.094 0.016 0.000 1.039 141 V CA -0.177 62.123 62.300 0.000 0.000 1.055 141 V CB 0.072 31.911 31.823 0.026 0.000 0.969 141 V HN 0.754 nan 8.190 nan 0.000 0.482 142 A N 3.938 126.763 122.820 0.008 0.000 2.520 142 A HA 0.089 4.409 4.320 -0.001 0.000 0.235 142 A C 1.168 178.772 177.584 0.033 0.000 1.065 142 A CA -0.201 51.851 52.037 0.025 0.000 0.764 142 A CB -0.029 18.988 19.000 0.027 0.000 1.002 142 A HN 0.897 nan 8.150 nan 0.000 0.502 143 D N 0.519 120.942 120.400 0.039 0.000 2.263 143 D HA -0.123 4.517 4.640 -0.001 0.000 0.208 143 D C 0.898 177.219 176.300 0.036 0.000 0.971 143 D CA 1.704 55.727 54.000 0.039 0.000 0.867 143 D CB 0.041 40.864 40.800 0.038 0.000 0.929 143 D HN 0.775 nan 8.370 nan 0.000 0.492 144 D N -0.439 119.983 120.400 0.037 0.000 2.363 144 D HA -0.033 4.606 4.640 -0.001 0.000 0.214 144 D C 0.190 176.510 176.300 0.033 0.000 1.093 144 D CA -0.344 53.678 54.000 0.036 0.000 0.837 144 D CB -0.815 40.011 40.800 0.043 0.000 0.948 144 D HN -0.035 nan 8.370 nan 0.000 0.507 145 c N 2.646 121.264 118.600 0.029 0.000 2.657 145 c HA 0.104 4.673 4.570 -0.001 0.000 0.420 145 c C -0.343 173.762 174.090 0.024 0.000 1.323 145 c CA -0.897 55.445 56.329 0.023 0.000 1.894 145 c CB 1.062 43.582 42.510 0.016 0.000 2.681 145 c HN 0.296 nan 8.230 nan 0.000 0.613 146 P HA -0.042 nan 4.420 nan 0.000 0.218 146 P C 0.555 177.869 177.300 0.023 0.000 1.149 146 P CA 1.500 64.613 63.100 0.021 0.000 0.817 146 P CB -0.153 31.558 31.700 0.020 0.000 0.785 147 T N -5.658 108.911 114.554 0.025 0.000 2.940 147 T HA 0.468 4.818 4.350 -0.001 0.000 0.288 147 T C -2.273 172.448 174.700 0.037 0.000 1.045 147 T CA -2.222 59.896 62.100 0.030 0.000 1.018 147 T CB 1.808 70.696 68.868 0.034 0.000 1.151 147 T HN -0.290 nan 8.240 nan 0.000 0.529 148 P HA 0.028 nan 4.420 nan 0.000 0.218 148 P C 1.281 178.621 177.300 0.066 0.000 1.149 148 P CA 0.895 64.028 63.100 0.055 0.000 0.817 148 P CB 0.019 31.756 31.700 0.061 0.000 0.785 149 M N -2.441 117.199 119.600 0.067 0.000 2.495 149 M HA 0.287 4.766 4.480 -0.001 0.000 0.237 149 M C 1.326 177.645 176.300 0.031 0.000 1.131 149 M CA 0.576 55.915 55.300 0.066 0.000 1.032 149 M CB -0.587 32.063 32.600 0.083 0.000 1.513 149 M HN 0.084 nan 8.290 nan 0.000 0.488 150 G N 0.152 108.966 108.800 0.023 0.000 1.674 150 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.192 150 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.192 150 G C 0.312 175.215 174.900 0.005 0.000 1.551 150 G CA 0.290 45.391 45.100 0.001 0.000 1.320 150 G HN 0.313 nan 8.290 nan 0.000 0.432 151 V N -1.171 118.744 119.914 0.002 0.000 3.484 151 V HA 0.515 4.635 4.120 -0.001 0.000 0.252 151 V C 0.879 176.984 176.094 0.018 0.000 1.282 151 V CA 1.250 63.555 62.300 0.008 0.000 1.104 151 V CB 0.005 31.828 31.823 -0.001 0.000 0.868 151 V HN 0.438 nan 8.190 nan 0.000 0.457 152 K N 1.598 122.011 120.400 0.022 0.000 2.138 152 K HA 0.569 4.888 4.320 -0.001 0.000 0.251 152 K C 0.727 177.357 176.600 0.050 0.000 1.015 152 K CA 0.741 57.049 56.287 0.035 0.000 0.917 152 K CB 0.594 33.115 32.500 0.035 0.000 1.021 152 K HN 0.758 nan 8.250 nan 0.000 0.485 153 G N 1.068 109.904 108.800 0.059 0.000 2.725 153 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.220 153 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.220 153 G C -0.737 174.191 174.900 0.047 0.000 1.357 153 G CA -0.784 44.358 45.100 0.070 0.000 0.866 153 G HN 0.605 nan 8.290 nan 0.000 0.548 154 N N 0.136 118.859 118.700 0.038 0.000 2.413 154 N HA 0.355 5.094 4.740 -0.001 0.000 0.266 154 N C 1.481 177.002 175.510 0.018 0.000 1.238 154 N CA -0.420 52.642 53.050 0.020 0.000 0.972 154 N CB 0.669 39.158 38.487 0.005 0.000 1.210 154 N HN 0.496 nan 8.380 nan 0.000 0.547 155 K N 0.748 121.154 120.400 0.011 0.000 2.148 155 K HA 0.029 4.349 4.320 -0.001 0.000 0.204 155 K C 0.027 176.632 176.600 0.009 0.000 1.050 155 K CA 1.202 57.496 56.287 0.012 0.000 0.942 155 K CB 0.100 32.605 32.500 0.008 0.000 0.724 155 K HN 0.563 nan 8.250 nan 0.000 0.446 156 E N 0.788 120.987 120.200 -0.002 0.000 2.212 156 E HA 0.192 4.542 4.350 -0.001 0.000 0.268 156 E C -0.653 175.932 176.600 -0.025 0.000 0.902 156 E CA -0.871 55.523 56.400 -0.009 0.000 0.779 156 E CB 1.622 31.312 29.700 -0.017 0.000 1.172 156 E HN -0.177 nan 8.360 nan 0.000 0.409 157 L N 3.381 124.589 121.223 -0.026 0.000 2.464 157 L HA 0.203 4.543 4.340 -0.001 0.000 0.264 157 L C -1.899 174.888 176.870 -0.138 0.000 1.199 157 L CA -1.604 53.197 54.840 -0.065 0.000 0.818 157 L CB -0.584 41.468 42.059 -0.012 0.000 1.102 157 L HN 0.394 nan 8.230 nan 0.000 0.473 158 P HA 0.006 nan 4.420 nan 0.000 0.269 158 P C -0.861 176.334 177.300 -0.175 0.000 1.209 158 P CA -0.446 62.477 63.100 -0.295 0.000 0.776 158 P CB 0.295 31.649 31.700 -0.576 0.000 0.876 159 D N 1.166 121.496 120.400 -0.116 0.000 2.487 159 D HA -0.047 4.592 4.640 -0.001 0.000 0.243 159 D C 1.259 177.531 176.300 -0.047 0.000 1.154 159 D CA 0.344 54.305 54.000 -0.065 0.000 0.876 159 D CB 0.624 41.394 40.800 -0.050 0.000 1.161 159 D HN 0.244 nan 8.370 nan 0.000 0.478 160 S N 3.923 119.610 115.700 -0.021 0.000 2.402 160 S HA -0.194 4.276 4.470 -0.001 0.000 0.229 160 S C 1.786 176.395 174.600 0.016 0.000 1.021 160 S CA 0.772 58.978 58.200 0.010 0.000 0.974 160 S CB -0.190 63.021 63.200 0.018 0.000 0.800 160 S HN 0.594 nan 8.310 nan 0.000 0.484 161 K N 1.137 121.538 120.400 0.002 0.000 2.032 161 K HA -0.185 4.134 4.320 -0.001 0.000 0.209 161 K C 2.219 178.819 176.600 0.001 0.000 1.048 161 K CA 1.824 58.113 56.287 0.002 0.000 0.927 161 K CB -0.241 32.255 32.500 -0.005 0.000 0.712 161 K HN 0.335 nan 8.250 nan 0.000 0.441 162 E N 0.005 120.199 120.200 -0.011 0.000 2.058 162 E HA -0.167 4.183 4.350 -0.001 0.000 0.194 162 E C 1.874 178.473 176.600 -0.001 0.000 0.997 162 E CA 1.361 57.752 56.400 -0.016 0.000 0.801 162 E CB -0.031 29.647 29.700 -0.036 0.000 0.746 162 E HN 0.093 nan 8.360 nan 0.000 0.450 163 V N 1.172 121.093 119.914 0.013 0.000 2.237 163 V HA -0.240 3.879 4.120 -0.001 0.000 0.245 163 V C 2.307 178.431 176.094 0.050 0.000 1.046 163 V CA 1.643 63.977 62.300 0.056 0.000 1.007 163 V CB -0.657 31.234 31.823 0.114 0.000 0.638 163 V HN 0.385 nan 8.190 nan 0.000 0.445 164 L N 0.500 121.754 121.223 0.051 0.000 1.997 164 L HA -0.271 4.068 4.340 -0.001 0.000 0.216 164 L C 2.470 179.357 176.870 0.028 0.000 1.074 164 L CA 2.455 57.324 54.840 0.049 0.000 0.763 164 L CB -0.989 41.099 42.059 0.048 0.000 0.890 164 L HN 0.498 nan 8.230 nan 0.000 0.434 165 E N -0.548 119.662 120.200 0.017 0.000 2.072 165 E HA -0.184 4.166 4.350 -0.001 0.000 0.190 165 E C 2.147 178.749 176.600 0.004 0.000 0.982 165 E CA 0.890 57.295 56.400 0.008 0.000 0.803 165 E CB 0.023 29.724 29.700 0.002 0.000 0.755 165 E HN 0.535 nan 8.360 nan 0.000 0.453 166 K N 0.506 120.907 120.400 0.002 0.000 2.097 166 K HA -0.092 4.228 4.320 -0.001 0.000 0.205 166 K C 2.133 178.729 176.600 -0.006 0.000 1.050 166 K CA 1.650 57.934 56.287 -0.005 0.000 0.938 166 K CB 0.261 32.755 32.500 -0.010 0.000 0.718 166 K HN 0.172 nan 8.250 nan 0.000 0.442 167 V N -3.478 116.436 119.914 -0.000 0.000 3.497 167 V HA 0.144 4.264 4.120 -0.001 0.000 0.272 167 V C 1.392 177.478 176.094 -0.014 0.000 1.474 167 V CA -0.032 62.262 62.300 -0.010 0.000 1.025 167 V CB -0.056 31.761 31.823 -0.011 0.000 0.820 167 V HN 0.031 nan 8.190 nan 0.000 0.437 168 L N 0.192 121.414 121.223 -0.002 0.000 2.388 168 L HA 0.402 4.742 4.340 -0.001 0.000 0.209 168 L C 0.936 177.816 176.870 0.016 0.000 1.061 168 L CA 0.286 55.126 54.840 0.000 0.000 0.834 168 L CB 0.196 42.263 42.059 0.012 0.000 1.029 168 L HN 0.191 nan 8.230 nan 0.000 0.473 169 L N 1.393 122.627 121.223 0.018 0.000 2.416 169 L HA 0.114 4.454 4.340 -0.001 0.000 0.272 169 L C 0.735 177.616 176.870 0.018 0.000 1.161 169 L CA -0.002 54.850 54.840 0.021 0.000 0.845 169 L CB 0.490 42.557 42.059 0.014 0.000 1.119 169 L HN 0.200 nan 8.230 nan 0.000 0.464 170 R N 2.916 123.434 120.500 0.030 0.000 2.489 170 R HA 0.079 4.419 4.340 -0.001 0.000 0.287 170 R C 0.667 176.985 176.300 0.030 0.000 1.053 170 R CA -0.344 55.777 56.100 0.036 0.000 1.036 170 R CB 0.692 31.034 30.300 0.071 0.000 0.966 170 R HN 0.624 nan 8.270 nan 0.000 0.432 171 R N 3.002 123.515 120.500 0.023 0.000 2.005 171 R HA 0.050 4.390 4.340 -0.001 0.000 0.213 171 R C 0.312 176.636 176.300 0.039 0.000 1.308 171 R CA 0.579 56.693 56.100 0.023 0.000 1.022 171 R CB -0.705 29.601 30.300 0.010 0.000 0.883 171 R HN 0.630 nan 8.270 nan 0.000 0.470 172 E N 0.645 120.868 120.200 0.039 0.000 2.214 172 E HA 0.168 4.518 4.350 -0.001 0.000 0.274 172 E C -1.179 175.479 176.600 0.097 0.000 0.977 172 E CA -0.672 55.768 56.400 0.067 0.000 0.827 172 E CB 0.906 30.632 29.700 0.043 0.000 1.130 172 E HN 0.067 nan 8.360 nan 0.000 0.394 173 F N 4.668 124.610 119.950 -0.014 0.000 2.602 173 F HA 0.131 4.658 4.527 -0.000 0.000 0.385 173 F C -0.464 175.322 175.800 -0.023 0.000 1.063 173 F CA 0.148 58.137 58.000 -0.018 0.000 1.233 173 F CB 0.323 39.309 39.000 -0.024 0.000 1.067 173 F HN 0.376 nan 8.300 nan 0.000 0.564 174 I N 9.338 129.546 120.570 -0.604 0.000 2.328 174 I HA 0.250 4.420 4.170 -0.001 0.000 0.287 174 I C -1.998 173.513 176.117 -1.010 0.000 1.012 174 I CA -2.191 58.758 61.300 -0.585 0.000 1.195 174 I CB 1.030 38.838 38.000 -0.320 0.000 1.350 174 I HN 0.440 nan 8.210 nan 0.000 0.464 175 P HA 0.028 nan 4.420 nan 0.000 0.274 175 P C -0.801 176.289 177.300 -0.349 0.000 1.237 175 P CA -0.283 62.442 63.100 -0.624 0.000 0.793 175 P CB 0.838 32.424 31.700 -0.191 0.000 0.977 176 D N 2.312 122.571 120.400 -0.234 0.000 2.371 176 D HA 0.055 4.694 4.640 -0.001 0.000 0.256 176 D C -1.176 175.023 176.300 -0.168 0.000 1.193 176 D CA -2.045 51.827 54.000 -0.214 0.000 0.881 176 D CB 0.371 41.044 40.800 -0.212 0.000 1.143 176 D HN 0.172 nan 8.370 nan 0.000 0.473 177 P HA -0.129 nan 4.420 nan 0.000 0.223 177 P C 0.875 178.095 177.300 -0.134 0.000 1.151 177 P CA 0.868 63.888 63.100 -0.134 0.000 0.787 177 P CB 0.340 31.962 31.700 -0.130 0.000 0.788 178 Q N -0.811 118.874 119.800 -0.191 0.000 2.435 178 Q HA 0.117 4.457 4.340 -0.001 0.000 0.207 178 Q C 1.180 177.134 176.000 -0.077 0.000 0.956 178 Q CA 0.731 56.415 55.803 -0.198 0.000 0.917 178 Q CB -0.366 28.143 28.738 -0.381 0.000 0.997 178 Q HN 0.296 nan 8.270 nan 0.000 0.497 179 G N 0.801 109.560 108.800 -0.068 0.000 2.136 179 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.242 179 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.242 179 G C -0.023 174.882 174.900 0.007 0.000 0.989 179 G CA 0.190 45.285 45.100 -0.008 0.000 0.682 179 G HN 0.277 nan 8.290 nan 0.000 0.522 180 S N 0.897 116.580 115.700 -0.029 0.000 2.558 180 S HA 0.365 4.835 4.470 -0.001 0.000 0.291 180 S C 0.826 175.446 174.600 0.032 0.000 1.306 180 S CA 0.679 58.831 58.200 -0.080 0.000 1.056 180 S CB 0.702 63.737 63.200 -0.276 0.000 0.836 180 S HN 1.040 nan 8.310 nan 0.000 0.504 181 N N 1.343 120.111 118.700 0.115 0.000 2.813 181 N HA 0.390 5.130 4.740 -0.001 0.000 0.320 181 N C 0.495 176.143 175.510 0.229 0.000 1.315 181 N CA -0.902 52.249 53.050 0.169 0.000 0.871 181 N CB -0.066 38.520 38.487 0.166 0.000 1.241 181 N HN 0.262 nan 8.380 nan 0.000 0.602 182 M N -0.404 119.308 119.600 0.187 0.000 2.349 182 M HA 0.134 4.614 4.480 -0.001 0.000 0.266 182 M C 1.466 177.924 176.300 0.265 0.000 1.076 182 M CA 0.959 56.303 55.300 0.072 0.000 1.126 182 M CB -1.074 31.457 32.600 -0.115 0.000 1.392 182 M HN 0.512 nan 8.290 nan 0.000 0.440 183 M N -0.921 118.930 119.600 0.419 0.000 2.149 183 M HA -0.190 4.290 4.480 -0.001 0.000 0.261 183 M C 2.255 178.984 176.300 0.715 0.000 1.064 183 M CA 1.525 57.178 55.300 0.588 0.000 1.102 183 M CB -1.467 31.416 32.600 0.471 0.000 1.369 183 M HN 0.235 nan 8.290 nan 0.000 0.408 184 F N 1.034 121.240 119.950 0.426 0.000 2.113 184 F HA -0.062 4.465 4.527 -0.001 0.000 0.297 184 F C 2.312 178.243 175.800 0.217 0.000 1.103 184 F CA 1.674 59.792 58.000 0.196 0.000 1.248 184 F CB -0.433 38.557 39.000 -0.018 0.000 0.999 184 F HN 0.093 nan 8.300 nan 0.000 0.475 185 A N 0.050 122.918 122.820 0.080 0.000 1.877 185 A HA -0.142 4.178 4.320 -0.001 0.000 0.216 185 A C 2.025 179.501 177.584 -0.179 0.000 1.186 185 A CA 1.683 53.645 52.037 -0.124 0.000 0.620 185 A CB -1.530 17.382 19.000 -0.148 0.000 0.822 185 A HN 0.430 nan 8.150 nan 0.000 0.443 186 F N -1.696 118.331 119.950 0.128 0.000 2.325 186 F HA 0.016 4.543 4.527 -0.001 0.000 0.299 186 F C 1.876 177.728 175.800 0.086 0.000 1.090 186 F CA 0.647 58.746 58.000 0.166 0.000 1.392 186 F CB -0.626 38.535 39.000 0.268 0.000 1.053 186 F HN 0.348 nan 8.300 nan 0.000 0.521 187 F N 0.479 120.440 119.950 0.018 0.000 2.163 187 F HA -0.074 4.453 4.527 -0.000 0.000 0.297 187 F C 2.371 178.045 175.800 -0.210 0.000 1.094 187 F CA 1.183 58.930 58.000 -0.421 0.000 1.290 187 F CB -0.384 38.478 39.000 -0.231 0.000 1.017 187 F HN -0.085 nan 8.300 nan 0.000 0.483 188 A N -0.173 122.703 122.820 0.094 0.000 1.908 188 A HA -0.280 4.040 4.320 -0.001 0.000 0.218 188 A C 2.192 179.732 177.584 -0.073 0.000 1.181 188 A CA 1.961 54.086 52.037 0.146 0.000 0.627 188 A CB -1.001 18.085 19.000 0.143 0.000 0.818 188 A HN 0.600 nan 8.150 nan 0.000 0.445 189 Q N -1.443 118.276 119.800 -0.136 0.000 2.049 189 Q HA -0.216 4.123 4.340 -0.001 0.000 0.198 189 Q C 2.172 177.894 176.000 -0.464 0.000 0.971 189 Q CA 1.406 57.011 55.803 -0.329 0.000 0.833 189 Q CB -0.386 28.195 28.738 -0.263 0.000 0.896 189 Q HN 0.868 nan 8.270 nan 0.000 0.434 190 H N -0.298 118.511 119.070 -0.434 0.000 2.290 190 H HA -0.189 4.367 4.556 -0.001 0.000 0.298 190 H C 1.999 177.134 175.328 -0.321 0.000 1.087 190 H CA 1.940 57.714 56.048 -0.457 0.000 1.291 190 H CB -0.416 29.076 29.762 -0.450 0.000 1.369 190 H HN 0.355 nan 8.280 nan 0.000 0.492 191 F N 2.151 121.747 119.950 -0.590 0.000 2.046 191 F HA -0.246 4.281 4.527 -0.001 0.000 0.297 191 F C 2.858 178.064 175.800 -0.990 0.000 1.123 191 F CA 2.771 60.325 58.000 -0.745 0.000 1.199 191 F CB -1.071 37.512 39.000 -0.696 0.000 0.972 191 F HN 0.289 nan 8.300 nan 0.000 0.474 192 T N -2.715 111.154 114.554 -1.140 0.000 2.929 192 T HA -0.212 4.138 4.350 -0.001 0.000 0.271 192 T C 1.529 175.330 174.700 -1.500 0.000 1.085 192 T CA 1.704 62.723 62.100 -1.802 0.000 1.125 192 T CB -0.928 67.206 68.868 -1.222 0.000 0.874 192 T HN 0.403 nan 8.240 nan 0.000 0.494 193 H N 1.655 120.154 119.070 -0.951 0.000 2.556 193 H HA 0.136 4.691 4.556 -0.001 0.000 0.268 193 H C 2.380 177.319 175.328 -0.649 0.000 0.996 193 H CA 0.832 56.547 56.048 -0.555 0.000 1.157 193 H CB -0.266 29.446 29.762 -0.082 0.000 1.355 193 H HN 0.762 nan 8.280 nan 0.000 0.597 194 Q N -0.008 119.208 119.800 -0.973 0.000 2.331 194 Q HA -0.055 4.284 4.340 -0.001 0.000 0.203 194 Q C 0.815 176.435 176.000 -0.632 0.000 0.944 194 Q CA 1.006 56.301 55.803 -0.847 0.000 0.892 194 Q CB -0.107 27.931 28.738 -1.166 0.000 0.983 194 Q HN 0.597 nan 8.270 nan 0.000 0.482 195 F N -2.893 116.643 119.950 -0.689 0.000 2.746 195 F HA 0.487 5.014 4.527 -0.000 0.000 0.313 195 F C -0.285 175.247 175.800 -0.447 0.000 1.095 195 F CA -1.159 56.485 58.000 -0.593 0.000 1.224 195 F CB 0.567 39.193 39.000 -0.624 0.000 1.060 195 F HN -0.225 nan 8.300 nan 0.000 0.584 196 F N 3.573 123.318 119.950 -0.342 0.000 2.313 196 F HA 0.524 5.051 4.527 -0.001 0.000 0.369 196 F C -0.047 175.539 175.800 -0.357 0.000 1.109 196 F CA -1.700 56.129 58.000 -0.284 0.000 1.132 196 F CB 0.996 39.703 39.000 -0.487 0.000 1.291 196 F HN -0.024 nan 8.300 nan 0.000 0.496 197 K N 2.115 122.518 120.400 0.005 0.000 3.200 197 K HA 0.161 4.481 4.320 -0.001 0.000 0.179 197 K C -0.575 175.963 176.600 -0.104 0.000 1.153 197 K CA -0.273 55.944 56.287 -0.117 0.000 0.836 197 K CB 1.150 33.545 32.500 -0.175 0.000 1.051 197 K HN 0.371 nan 8.250 nan 0.000 0.594 198 T N 1.405 115.904 114.554 -0.092 0.000 2.902 198 T HA -0.048 4.302 4.350 -0.001 0.000 0.301 198 T C 0.143 174.608 174.700 -0.391 0.000 1.012 198 T CA 0.317 62.318 62.100 -0.165 0.000 1.151 198 T CB 0.414 69.156 68.868 -0.212 0.000 0.946 198 T HN 0.220 nan 8.240 nan 0.000 0.542 199 D N 1.850 122.100 120.400 -0.250 0.000 2.435 199 D HA 0.015 4.655 4.640 -0.001 0.000 0.230 199 D C 1.227 177.423 176.300 -0.174 0.000 1.215 199 D CA -0.257 53.624 54.000 -0.199 0.000 0.947 199 D CB 0.101 40.814 40.800 -0.145 0.000 1.048 199 D HN 0.530 nan 8.370 nan 0.000 0.512 200 H N 2.425 121.487 119.070 -0.014 0.000 2.489 200 H HA -0.066 4.489 4.556 -0.001 0.000 0.293 200 H C 1.294 176.601 175.328 -0.036 0.000 1.066 200 H CA 0.898 56.942 56.048 -0.008 0.000 1.305 200 H CB 0.472 30.230 29.762 -0.006 0.000 1.386 200 H HN 0.434 nan 8.280 nan 0.000 0.551 201 K N 0.351 120.766 120.400 0.025 0.000 2.288 201 K HA -0.007 4.312 4.320 -0.001 0.000 0.201 201 K C 2.174 178.702 176.600 -0.119 0.000 1.048 201 K CA 0.566 56.831 56.287 -0.037 0.000 0.956 201 K CB 0.337 32.804 32.500 -0.055 0.000 0.746 201 K HN 0.205 nan 8.250 nan 0.000 0.461 202 R N -0.500 119.879 120.500 -0.201 0.000 2.123 202 R HA 0.161 4.501 4.340 -0.001 0.000 0.209 202 R C 0.603 176.750 176.300 -0.254 0.000 1.078 202 R CA 0.594 56.429 56.100 -0.442 0.000 1.028 202 R CB 0.812 30.571 30.300 -0.902 0.000 0.939 202 R HN 0.222 nan 8.270 nan 0.000 0.463 203 G N -0.228 108.572 108.800 0.000 0.000 2.359 203 G HA2 -0.074 3.885 3.960 -0.001 0.000 0.314 203 G HA3 -0.074 3.885 3.960 -0.001 0.000 0.314 203 G C -2.582 172.458 174.900 0.233 0.000 1.364 203 G CA -0.902 44.303 45.100 0.175 0.000 0.978 203 G HN -0.199 nan 8.290 nan 0.000 0.615 204 P HA 0.075 nan 4.420 nan 0.000 0.226 204 P C 1.480 178.893 177.300 0.189 0.000 1.153 204 P CA 1.581 64.765 63.100 0.141 0.000 0.777 204 P CB 0.077 31.816 31.700 0.065 0.000 0.794 205 G N -1.694 107.209 108.800 0.171 0.000 3.314 205 G HA2 0.229 4.189 3.960 -0.001 0.000 0.238 205 G HA3 0.229 4.189 3.960 -0.001 0.000 0.238 205 G C -0.283 174.464 174.900 -0.255 0.000 1.184 205 G CA -0.065 45.055 45.100 0.034 0.000 0.806 205 G HN 0.127 nan 8.290 nan 0.000 0.536 206 F N -1.043 118.890 119.950 -0.027 0.000 2.576 206 F HA 0.640 5.167 4.527 -0.000 0.000 0.313 206 F C 0.155 175.636 175.800 -0.531 0.000 1.078 206 F CA -0.871 56.940 58.000 -0.316 0.000 0.921 206 F CB 2.590 41.407 39.000 -0.305 0.000 1.232 206 F HN -0.145 nan 8.300 nan 0.000 0.459 207 T N 0.600 114.849 114.554 -0.508 0.000 2.907 207 T HA 0.435 4.784 4.350 -0.001 0.000 0.292 207 T C 0.559 175.070 174.700 -0.315 0.000 1.043 207 T CA -0.592 61.145 62.100 -0.605 0.000 1.003 207 T CB 1.316 69.562 68.868 -1.036 0.000 1.084 207 T HN 0.713 nan 8.240 nan 0.000 0.483 208 R N 1.788 122.135 120.500 -0.256 0.000 2.300 208 R HA 0.219 4.558 4.340 -0.001 0.000 0.199 208 R C 1.407 177.582 176.300 -0.208 0.000 0.920 208 R CA 0.087 56.072 56.100 -0.193 0.000 1.046 208 R CB 0.254 30.460 30.300 -0.157 0.000 0.984 208 R HN 0.604 nan 8.270 nan 0.000 0.493 209 G N 1.389 110.023 108.800 -0.278 0.000 3.101 209 G HA2 0.112 4.071 3.960 -0.001 0.000 0.272 209 G HA3 0.112 4.071 3.960 -0.001 0.000 0.272 209 G C 0.789 175.472 174.900 -0.361 0.000 0.801 209 G CA -0.323 44.603 45.100 -0.289 0.000 1.978 209 G HN 0.157 nan 8.290 nan 0.000 0.591 210 L N 1.178 122.280 121.223 -0.200 0.000 2.362 210 L HA -0.010 4.330 4.340 -0.001 0.000 0.219 210 L C 2.714 179.595 176.870 0.020 0.000 1.134 210 L CA 1.009 55.799 54.840 -0.084 0.000 0.807 210 L CB 0.014 42.049 42.059 -0.041 0.000 0.927 210 L HN 0.515 nan 8.230 nan 0.000 0.447 211 G N -2.586 106.195 108.800 -0.032 0.000 2.572 211 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.216 211 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.216 211 G C 0.535 175.484 174.900 0.081 0.000 1.133 211 G CA -0.162 44.953 45.100 0.026 0.000 0.791 211 G HN 0.559 nan 8.290 nan 0.000 0.538 212 H N -0.467 118.574 119.070 -0.048 0.000 2.692 212 H HA -0.161 4.394 4.556 -0.001 0.000 0.316 212 H C 1.131 176.408 175.328 -0.086 0.000 1.176 212 H CA 1.115 57.132 56.048 -0.052 0.000 1.142 212 H CB -1.369 28.357 29.762 -0.060 0.000 1.475 212 H HN 0.851 nan 8.280 nan 0.000 0.423 213 G N -1.672 107.114 108.800 -0.023 0.000 2.404 213 G HA2 0.146 4.105 3.960 -0.001 0.000 0.253 213 G HA3 0.146 4.105 3.960 -0.001 0.000 0.253 213 G C -0.781 174.149 174.900 0.051 0.000 1.253 213 G CA -0.313 44.747 45.100 -0.067 0.000 0.917 213 G HN 0.197 nan 8.290 nan 0.000 0.480 214 V N 2.479 122.432 119.914 0.066 0.000 2.229 214 V HA 0.288 4.408 4.120 -0.001 0.000 0.245 214 V C 0.412 176.553 176.094 0.079 0.000 1.243 214 V CA 0.954 63.312 62.300 0.096 0.000 1.176 214 V CB 0.205 32.147 31.823 0.198 0.000 1.323 214 V HN 0.749 nan 8.190 nan 0.000 0.499 215 D N 2.936 123.364 120.400 0.046 0.000 2.433 215 D HA 0.060 4.700 4.640 -0.001 0.000 0.211 215 D C 0.940 177.321 176.300 0.134 0.000 1.114 215 D CA -0.392 53.653 54.000 0.075 0.000 0.837 215 D CB 0.096 40.924 40.800 0.046 0.000 0.984 215 D HN 0.323 nan 8.370 nan 0.000 0.505 216 L N 0.940 122.244 121.223 0.134 0.000 3.839 216 L HA -0.341 3.998 4.340 -0.001 0.000 0.416 216 L C 0.833 177.862 176.870 0.264 0.000 1.195 216 L CA 0.794 55.782 54.840 0.247 0.000 0.946 216 L CB -2.412 39.797 42.059 0.250 0.000 1.891 216 L HN 0.316 nan 8.230 nan 0.000 0.963 217 N N -0.149 118.643 118.700 0.154 0.000 2.443 217 N HA -0.194 4.546 4.740 -0.001 0.000 0.184 217 N C 1.755 177.265 175.510 -0.001 0.000 1.037 217 N CA 1.553 54.648 53.050 0.075 0.000 0.896 217 N CB -0.201 38.276 38.487 -0.017 0.000 0.959 217 N HN 0.713 nan 8.380 nan 0.000 0.442 218 H N -0.582 118.323 119.070 -0.276 0.000 2.524 218 H HA 0.114 4.670 4.556 -0.001 0.000 0.282 218 H C 1.393 176.549 175.328 -0.287 0.000 1.016 218 H CA 0.733 56.535 56.048 -0.411 0.000 1.270 218 H CB -0.319 29.160 29.762 -0.471 0.000 1.394 218 H HN 0.426 nan 8.280 nan 0.000 0.568 219 I N -0.950 119.343 120.570 -0.462 0.000 3.300 219 I HA -0.042 4.128 4.170 -0.001 0.000 0.279 219 I C 1.139 176.987 176.117 -0.447 0.000 1.172 219 I CA 0.198 61.170 61.300 -0.546 0.000 1.431 219 I CB 0.117 37.580 38.000 -0.896 0.000 1.240 219 I HN -0.027 nan 8.210 nan 0.000 0.453 220 Y N 1.251 121.529 120.300 -0.037 0.000 2.449 220 Y HA 0.498 5.048 4.550 -0.001 0.000 0.254 220 Y C 1.163 177.074 175.900 0.019 0.000 1.140 220 Y CA -0.111 58.012 58.100 0.038 0.000 1.272 220 Y CB 0.023 38.555 38.460 0.120 0.000 1.114 220 Y HN 0.110 nan 8.280 nan 0.000 0.525 221 G N 0.604 109.453 108.800 0.082 0.000 2.705 221 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.686 221 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.686 221 G C 0.348 175.261 174.900 0.022 0.000 1.285 221 G CA -0.355 44.757 45.100 0.020 0.000 0.800 221 G HN 0.065 nan 8.290 nan 0.000 0.611 222 E N -0.432 119.750 120.200 -0.030 0.000 2.072 222 E HA -0.017 4.332 4.350 -0.001 0.000 0.191 222 E C 1.928 178.514 176.600 -0.023 0.000 0.985 222 E CA 1.998 58.376 56.400 -0.037 0.000 0.801 222 E CB -0.090 29.569 29.700 -0.068 0.000 0.750 222 E HN 1.032 nan 8.360 nan 0.000 0.452 223 T N -2.705 111.831 114.554 -0.029 0.000 2.942 223 T HA 0.346 4.695 4.350 -0.001 0.000 0.289 223 T C 1.268 175.930 174.700 -0.063 0.000 1.044 223 T CA -0.796 61.278 62.100 -0.043 0.000 1.023 223 T CB 1.431 70.268 68.868 -0.051 0.000 1.123 223 T HN -0.077 nan 8.240 nan 0.000 0.512 224 L N 0.191 121.348 121.223 -0.111 0.000 2.046 224 L HA -0.084 4.255 4.340 -0.001 0.000 0.208 224 L C 2.409 179.082 176.870 -0.328 0.000 1.077 224 L CA 1.950 56.645 54.840 -0.242 0.000 0.747 224 L CB -0.400 41.493 42.059 -0.277 0.000 0.896 224 L HN 0.897 nan 8.230 nan 0.000 0.432 225 D N -0.351 119.936 120.400 -0.187 0.000 2.144 225 D HA -0.236 4.403 4.640 -0.001 0.000 0.200 225 D C 2.191 178.480 176.300 -0.018 0.000 0.978 225 D CA 0.899 54.844 54.000 -0.092 0.000 0.833 225 D CB 0.175 40.948 40.800 -0.045 0.000 0.961 225 D HN 0.261 nan 8.370 nan 0.000 0.470 226 R N 0.541 121.025 120.500 -0.026 0.000 2.066 226 R HA -0.123 4.217 4.340 -0.001 0.000 0.232 226 R C 2.467 178.783 176.300 0.027 0.000 1.131 226 R CA 1.247 57.348 56.100 0.002 0.000 0.955 226 R CB -0.177 30.115 30.300 -0.012 0.000 0.851 226 R HN 0.193 nan 8.270 nan 0.000 0.432 227 Q N -0.296 119.518 119.800 0.022 0.000 2.096 227 Q HA -0.223 4.116 4.340 -0.001 0.000 0.204 227 Q C 1.675 177.712 176.000 0.062 0.000 0.982 227 Q CA 1.801 57.638 55.803 0.057 0.000 0.850 227 Q CB -0.126 28.651 28.738 0.065 0.000 0.901 227 Q HN 0.658 nan 8.270 nan 0.000 0.422 228 H N -0.466 118.588 119.070 -0.027 0.000 2.421 228 H HA -0.057 4.498 4.556 -0.001 0.000 0.298 228 H C 1.914 177.282 175.328 0.066 0.000 1.087 228 H CA 0.945 57.033 56.048 0.067 0.000 1.330 228 H CB 0.309 30.214 29.762 0.239 0.000 1.388 228 H HN 0.193 nan 8.280 nan 0.000 0.526 229 K N 0.513 121.014 120.400 0.167 0.000 2.288 229 K HA -0.037 4.282 4.320 -0.001 0.000 0.201 229 K C 1.766 178.393 176.600 0.044 0.000 1.048 229 K CA 0.495 56.844 56.287 0.104 0.000 0.956 229 K CB 0.248 32.794 32.500 0.076 0.000 0.746 229 K HN 0.251 nan 8.250 nan 0.000 0.461 230 L N 0.180 121.409 121.223 0.010 0.000 2.446 230 L HA 0.031 4.370 4.340 -0.001 0.000 0.219 230 L C 0.698 177.529 176.870 -0.065 0.000 1.116 230 L CA 0.192 55.031 54.840 -0.001 0.000 0.844 230 L CB 0.110 42.185 42.059 0.027 0.000 0.970 230 L HN 0.016 nan 8.230 nan 0.000 0.457 231 R N -0.256 120.103 120.500 -0.235 0.000 2.457 231 R HA 0.169 4.508 4.340 -0.001 0.000 0.284 231 R C 0.638 176.688 176.300 -0.415 0.000 1.024 231 R CA -0.445 55.377 56.100 -0.464 0.000 1.025 231 R CB 1.565 31.220 30.300 -1.076 0.000 1.063 231 R HN -0.093 nan 8.270 nan 0.000 0.493 232 L N 2.365 123.444 121.223 -0.239 0.000 2.375 232 L HA 0.182 4.521 4.340 -0.001 0.000 0.215 232 L C 0.068 176.967 176.870 0.048 0.000 1.108 232 L CA 1.020 55.836 54.840 -0.040 0.000 0.830 232 L CB -0.047 42.050 42.059 0.064 0.000 0.959 232 L HN 0.819 nan 8.230 nan 0.000 0.457 233 F N -0.557 119.392 119.950 -0.002 0.000 3.084 233 F HA -0.323 4.204 4.527 -0.001 0.000 0.286 233 F C 0.453 176.266 175.800 0.021 0.000 0.855 233 F CA 0.818 58.802 58.000 -0.028 0.000 1.091 233 F CB -1.689 37.263 39.000 -0.079 0.000 1.177 233 F HN 0.128 nan 8.300 nan 0.000 0.542 234 K N 0.362 120.863 120.400 0.168 0.000 2.471 234 K HA 0.305 4.625 4.320 -0.001 0.000 0.252 234 K C -0.011 176.685 176.600 0.160 0.000 0.938 234 K CA -0.835 55.542 56.287 0.151 0.000 0.796 234 K CB 1.570 34.147 32.500 0.128 0.000 1.161 234 K HN 0.005 nan 8.250 nan 0.000 0.425 235 D N 1.587 122.085 120.400 0.163 0.000 2.983 235 D HA -0.188 4.451 4.640 -0.001 0.000 0.225 235 D C 0.737 177.163 176.300 0.209 0.000 1.174 235 D CA 1.802 55.907 54.000 0.174 0.000 0.831 235 D CB -1.183 39.708 40.800 0.152 0.000 1.104 235 D HN 1.100 nan 8.370 nan 0.000 0.421 236 G N -0.642 108.301 108.800 0.237 0.000 2.168 236 G HA2 -0.392 3.567 3.960 -0.001 0.000 0.263 236 G HA3 -0.392 3.567 3.960 -0.001 0.000 0.263 236 G C 0.390 175.580 174.900 0.483 0.000 0.977 236 G CA 0.966 46.272 45.100 0.344 0.000 0.659 236 G HN 0.508 nan 8.290 nan 0.000 0.533 237 K N -0.841 119.764 120.400 0.342 0.000 2.090 237 K HA 0.647 4.967 4.320 -0.001 0.000 0.250 237 K C -0.017 176.773 176.600 0.317 0.000 1.004 237 K CA -0.921 55.606 56.287 0.400 0.000 0.919 237 K CB 0.871 33.548 32.500 0.294 0.000 1.045 237 K HN 0.020 nan 8.250 nan 0.000 0.471 238 L N 2.042 123.460 121.223 0.326 0.000 2.325 238 L HA 0.225 4.565 4.340 -0.001 0.000 0.279 238 L C 0.098 177.110 176.870 0.237 0.000 1.054 238 L CA 0.027 54.975 54.840 0.180 0.000 0.804 238 L CB 1.056 43.182 42.059 0.110 0.000 1.200 238 L HN 0.416 nan 8.230 nan 0.000 0.436 239 K N 2.895 123.377 120.400 0.137 0.000 2.494 239 K HA 0.220 4.539 4.320 -0.001 0.000 0.273 239 K C -1.118 175.632 176.600 0.251 0.000 0.970 239 K CA 0.737 57.100 56.287 0.125 0.000 0.963 239 K CB 0.333 32.861 32.500 0.047 0.000 0.913 239 K HN 0.586 nan 8.250 nan 0.000 0.502 240 Y N -2.191 118.148 120.300 0.064 0.000 2.725 240 Y HA 0.276 4.825 4.550 -0.000 0.000 0.333 240 Y C -1.543 174.407 175.900 0.083 0.000 1.242 240 Y CA -1.392 56.753 58.100 0.075 0.000 1.059 240 Y CB 1.008 39.502 38.460 0.057 0.000 1.306 240 Y HN 0.593 nan 8.280 nan 0.000 0.454 241 Q N 0.727 120.652 119.800 0.208 0.000 2.451 241 Q HA 0.821 5.161 4.340 -0.001 0.000 0.281 241 Q C -2.040 174.134 176.000 0.290 0.000 1.099 241 Q CA -1.332 54.549 55.803 0.130 0.000 0.806 241 Q CB 3.110 31.932 28.738 0.139 0.000 1.419 241 Q HN 0.607 nan 8.270 nan 0.000 0.427 242 V N 2.776 122.814 119.914 0.208 0.000 2.384 242 V HA 0.477 4.597 4.120 -0.001 0.000 0.287 242 V C -0.434 175.772 176.094 0.187 0.000 1.020 242 V CA -0.491 61.938 62.300 0.214 0.000 0.850 242 V CB 0.994 32.918 31.823 0.169 0.000 0.987 242 V HN 0.662 nan 8.190 nan 0.000 0.436 243 I N 3.421 124.148 120.570 0.261 0.000 2.436 243 I HA 0.559 4.729 4.170 -0.001 0.000 0.289 243 I C 1.157 177.384 176.117 0.182 0.000 1.010 243 I CA -0.614 60.803 61.300 0.195 0.000 1.098 243 I CB 1.775 39.866 38.000 0.153 0.000 1.266 243 I HN 0.804 nan 8.210 nan 0.000 0.434 244 G N 4.232 113.093 108.800 0.101 0.000 2.321 244 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.287 244 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.287 244 G C 1.025 175.968 174.900 0.072 0.000 1.018 244 G CA 0.799 45.945 45.100 0.077 0.000 0.855 244 G HN 1.572 nan 8.290 nan 0.000 0.507 245 G N -1.976 106.866 108.800 0.070 0.000 2.179 245 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.260 245 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.260 245 G C 0.097 175.011 174.900 0.024 0.000 0.977 245 G CA 0.905 46.032 45.100 0.045 0.000 0.641 245 G HN 0.929 nan 8.290 nan 0.000 0.533 246 E N -0.153 120.068 120.200 0.036 0.000 2.207 246 E HA 0.554 4.904 4.350 -0.001 0.000 0.270 246 E C 0.034 176.537 176.600 -0.162 0.000 0.927 246 E CA -0.783 55.554 56.400 -0.105 0.000 0.799 246 E CB 2.304 31.901 29.700 -0.170 0.000 1.172 246 E HN 0.112 nan 8.360 nan 0.000 0.404 247 V N 3.699 123.432 119.914 -0.301 0.000 2.455 247 V HA 0.168 4.288 4.120 -0.001 0.000 0.273 247 V C -0.621 175.193 176.094 -0.465 0.000 1.045 247 V CA 0.080 62.249 62.300 -0.219 0.000 0.976 247 V CB -0.491 31.169 31.823 -0.273 0.000 0.993 247 V HN 0.506 nan 8.190 nan 0.000 0.475 248 Y N 4.990 125.302 120.300 0.020 0.000 2.602 248 Y HA 0.514 5.064 4.550 -0.000 0.000 0.342 248 Y C -2.191 173.727 175.900 0.030 0.000 1.029 248 Y CA -2.761 55.290 58.100 -0.082 0.000 1.080 248 Y CB 1.935 40.297 38.460 -0.162 0.000 1.284 248 Y HN 0.426 nan 8.280 nan 0.000 0.485 249 P HA 0.035 nan 4.420 nan 0.000 0.270 249 P C -2.517 174.975 177.300 0.321 0.000 1.223 249 P CA -0.813 62.407 63.100 0.200 0.000 0.785 249 P CB -0.025 31.763 31.700 0.147 0.000 0.923 250 P HA 0.062 nan 4.420 nan 0.000 0.275 250 P C -0.382 177.036 177.300 0.195 0.000 1.266 250 P CA 0.016 63.231 63.100 0.191 0.000 0.793 250 P CB 0.094 31.863 31.700 0.115 0.000 1.074 251 T N -3.386 111.220 114.554 0.087 0.000 2.902 251 T HA 0.223 4.572 4.350 -0.001 0.000 0.280 251 T C 1.439 176.146 174.700 0.012 0.000 0.992 251 T CA -0.696 61.404 62.100 -0.001 0.000 1.015 251 T CB 0.137 68.958 68.868 -0.077 0.000 1.044 251 T HN 0.070 nan 8.240 nan 0.000 0.520 252 V N 1.350 121.255 119.914 -0.015 0.000 2.407 252 V HA -0.127 3.993 4.120 -0.001 0.000 0.248 252 V C 2.820 178.907 176.094 -0.011 0.000 1.055 252 V CA 2.240 64.545 62.300 0.007 0.000 1.049 252 V CB -0.931 30.897 31.823 0.009 0.000 0.662 252 V HN 1.041 nan 8.190 nan 0.000 0.455 253 K N 0.416 120.792 120.400 -0.041 0.000 2.026 253 K HA -0.278 4.041 4.320 -0.001 0.000 0.208 253 K C 1.964 178.554 176.600 -0.017 0.000 1.048 253 K CA 2.277 58.543 56.287 -0.036 0.000 0.929 253 K CB -0.358 32.109 32.500 -0.055 0.000 0.713 253 K HN 0.476 nan 8.250 nan 0.000 0.439 254 D N -0.501 119.891 120.400 -0.013 0.000 2.117 254 D HA -0.125 4.515 4.640 -0.001 0.000 0.198 254 D C 1.758 178.067 176.300 0.014 0.000 0.982 254 D CA 2.025 56.024 54.000 -0.002 0.000 0.828 254 D CB -0.014 40.786 40.800 -0.000 0.000 0.967 254 D HN 0.479 nan 8.370 nan 0.000 0.464 255 T N -4.262 110.305 114.554 0.023 0.000 3.040 255 T HA 0.097 4.447 4.350 -0.001 0.000 0.252 255 T C 0.895 175.616 174.700 0.034 0.000 1.064 255 T CA 0.387 62.508 62.100 0.036 0.000 1.110 255 T CB -0.004 68.891 68.868 0.046 0.000 0.921 255 T HN 0.046 nan 8.240 nan 0.000 0.480 256 Q N 0.427 120.242 119.800 0.025 0.000 2.494 256 Q HA -0.130 4.209 4.340 -0.001 0.000 0.266 256 Q C 0.039 176.054 176.000 0.025 0.000 1.053 256 Q CA 0.786 56.601 55.803 0.021 0.000 1.029 256 Q CB -2.644 26.105 28.738 0.019 0.000 1.423 256 Q HN 0.870 nan 8.270 nan 0.000 0.516 257 V N -1.750 118.183 119.914 0.032 0.000 2.546 257 V HA 0.384 4.504 4.120 -0.001 0.000 0.284 257 V C 0.501 176.613 176.094 0.029 0.000 1.050 257 V CA -0.587 61.730 62.300 0.028 0.000 0.981 257 V CB 1.617 33.458 31.823 0.030 0.000 0.990 257 V HN 0.237 nan 8.190 nan 0.000 0.474 258 E N 5.780 125.989 120.200 0.014 0.000 2.344 258 E HA 0.379 4.729 4.350 -0.001 0.000 0.270 258 E C -0.342 176.262 176.600 0.007 0.000 1.021 258 E CA -0.091 56.316 56.400 0.013 0.000 0.887 258 E CB 0.854 30.552 29.700 -0.002 0.000 0.997 258 E HN 0.643 nan 8.360 nan 0.000 0.429 259 M N 2.249 121.866 119.600 0.028 0.000 2.619 259 M HA 0.426 4.905 4.480 -0.001 0.000 0.297 259 M C -0.539 175.721 176.300 -0.066 0.000 1.229 259 M CA -0.748 54.539 55.300 -0.021 0.000 0.860 259 M CB 1.720 34.365 32.600 0.075 0.000 1.741 259 M HN 0.428 nan 8.290 nan 0.000 0.462 260 I N 2.170 122.622 120.570 -0.197 0.000 2.291 260 I HA 0.268 4.438 4.170 -0.001 0.000 0.292 260 I C -1.366 174.549 176.117 -0.337 0.000 1.064 260 I CA -0.170 61.029 61.300 -0.169 0.000 1.269 260 I CB 0.116 38.050 38.000 -0.110 0.000 1.418 260 I HN 0.519 nan 8.210 nan 0.000 0.485 261 Y N 6.523 126.807 120.300 -0.026 0.000 2.457 261 Y HA 0.392 4.942 4.550 -0.001 0.000 0.343 261 Y C -1.988 173.842 175.900 -0.118 0.000 0.994 261 Y CA -2.119 55.942 58.100 -0.065 0.000 1.031 261 Y CB 1.955 40.363 38.460 -0.087 0.000 1.246 261 Y HN 0.442 nan 8.280 nan 0.000 0.449 262 P HA 0.070 nan 4.420 nan 0.000 0.269 262 P C -2.171 175.094 177.300 -0.059 0.000 1.215 262 P CA -1.276 61.771 63.100 -0.088 0.000 0.780 262 P CB 0.495 32.079 31.700 -0.193 0.000 0.898 263 P HA -0.151 nan 4.420 nan 0.000 0.228 263 P C 1.018 178.328 177.300 0.016 0.000 1.151 263 P CA 1.366 64.471 63.100 0.008 0.000 0.770 263 P CB -0.335 31.380 31.700 0.026 0.000 0.786 264 H N -1.575 117.468 119.070 -0.045 0.000 2.539 264 H HA 0.129 4.685 4.556 -0.001 0.000 0.269 264 H C 0.505 175.798 175.328 -0.058 0.000 0.980 264 H CA -0.367 55.656 56.048 -0.042 0.000 1.152 264 H CB -0.210 29.537 29.762 -0.026 0.000 1.407 264 H HN 0.005 nan 8.280 nan 0.000 0.564 265 I N 5.341 125.639 120.570 -0.454 0.000 2.436 265 I HA 0.129 4.298 4.170 -0.001 0.000 0.289 265 I C -2.014 173.923 176.117 -0.299 0.000 1.083 265 I CA -2.433 58.614 61.300 -0.422 0.000 1.372 265 I CB 0.687 38.401 38.000 -0.475 0.000 1.408 265 I HN 0.076 nan 8.210 nan 0.000 0.516 266 P HA 0.134 nan 4.420 nan 0.000 0.271 266 P C 0.657 177.793 177.300 -0.272 0.000 1.218 266 P CA -0.243 62.735 63.100 -0.204 0.000 0.780 266 P CB 0.990 32.596 31.700 -0.157 0.000 0.901 267 E N 1.562 121.631 120.200 -0.218 0.000 2.147 267 E HA -0.264 4.086 4.350 -0.001 0.000 0.199 267 E C 1.471 177.896 176.600 -0.292 0.000 1.005 267 E CA 1.678 57.941 56.400 -0.228 0.000 0.810 267 E CB -0.235 29.375 29.700 -0.151 0.000 0.736 267 E HN 0.579 nan 8.360 nan 0.000 0.460 268 N N 0.660 119.196 118.700 -0.274 0.000 2.550 268 N HA -0.126 4.613 4.740 -0.001 0.000 0.186 268 N C 1.280 176.483 175.510 -0.511 0.000 1.110 268 N CA 0.737 53.606 53.050 -0.300 0.000 0.912 268 N CB -0.048 38.321 38.487 -0.196 0.000 0.968 268 N HN 0.245 nan 8.380 nan 0.000 0.448 269 L N -0.447 120.406 121.223 -0.616 0.000 2.808 269 L HA 0.235 4.574 4.340 -0.001 0.000 0.246 269 L C 0.146 176.337 176.870 -1.132 0.000 1.153 269 L CA -0.097 54.190 54.840 -0.922 0.000 0.956 269 L CB 0.163 41.914 42.059 -0.513 0.000 1.270 269 L HN -0.047 nan 8.230 nan 0.000 0.528 270 Q N 1.115 120.340 119.800 -0.959 0.000 2.664 270 Q HA 0.220 4.560 4.340 -0.001 0.000 0.223 270 Q C -0.754 174.956 176.000 -0.483 0.000 1.298 270 Q CA -0.223 54.955 55.803 -1.042 0.000 0.965 270 Q CB 0.058 28.363 28.738 -0.722 0.000 1.510 270 Q HN 0.164 nan 8.270 nan 0.000 0.567 271 F N 0.922 120.865 119.950 -0.011 0.000 2.471 271 F HA 0.255 4.782 4.527 -0.000 0.000 0.353 271 F C 0.801 176.729 175.800 0.213 0.000 1.113 271 F CA -0.644 57.423 58.000 0.112 0.000 1.262 271 F CB 0.688 39.756 39.000 0.113 0.000 1.146 271 F HN 0.317 nan 8.300 nan 0.000 0.578 272 A N 3.380 126.389 122.820 0.315 0.000 2.273 272 A HA 0.727 5.047 4.320 -0.001 0.000 0.315 272 A C -0.646 177.035 177.584 0.162 0.000 1.256 272 A CA -0.526 51.633 52.037 0.203 0.000 0.851 272 A CB 0.657 19.736 19.000 0.132 0.000 1.172 272 A HN 0.771 nan 8.150 nan 0.000 0.508 273 V N 0.176 120.159 119.914 0.116 0.000 3.167 273 V HA 0.889 5.009 4.120 -0.001 0.000 0.310 273 V C 1.082 177.153 176.094 -0.039 0.000 1.207 273 V CA 0.025 62.362 62.300 0.062 0.000 1.059 273 V CB 1.121 33.023 31.823 0.132 0.000 1.079 273 V HN 1.053 nan 8.190 nan 0.000 0.446 274 G N -0.541 108.200 108.800 -0.099 0.000 2.469 274 G HA2 -0.114 3.846 3.960 -0.001 0.000 0.219 274 G HA3 -0.114 3.846 3.960 -0.001 0.000 0.219 274 G C 0.743 175.496 174.900 -0.245 0.000 1.150 274 G CA 0.834 45.848 45.100 -0.144 0.000 0.763 274 G HN 0.708 nan 8.290 nan 0.000 0.561 275 Q N 0.460 119.975 119.800 -0.475 0.000 2.303 275 Q HA 0.174 4.514 4.340 -0.001 0.000 0.257 275 Q C 1.359 177.056 176.000 -0.504 0.000 0.941 275 Q CA -0.148 55.215 55.803 -0.734 0.000 0.931 275 Q CB 1.571 29.216 28.738 -1.822 0.000 1.215 275 Q HN 0.754 nan 8.270 nan 0.000 0.437 276 E N 1.937 121.958 120.200 -0.297 0.000 2.265 276 E HA -0.117 4.233 4.350 -0.001 0.000 0.196 276 E C 0.965 177.475 176.600 -0.151 0.000 0.996 276 E CA 0.727 57.023 56.400 -0.174 0.000 0.832 276 E CB 0.150 29.776 29.700 -0.123 0.000 0.756 276 E HN 0.262 nan 8.360 nan 0.000 0.491 277 V N 0.298 120.142 119.914 -0.116 0.000 3.647 277 V HA 0.014 4.134 4.120 -0.001 0.000 0.279 277 V C 0.558 176.779 176.094 0.213 0.000 1.314 277 V CA 0.161 62.481 62.300 0.033 0.000 1.125 277 V CB -0.429 31.463 31.823 0.116 0.000 0.907 277 V HN 0.250 nan 8.190 nan 0.000 0.434 278 F N 0.874 120.798 119.950 -0.043 0.000 2.661 278 F HA 0.206 4.733 4.527 -0.001 0.000 0.298 278 F C 2.251 178.048 175.800 -0.006 0.000 1.137 278 F CA 0.574 58.576 58.000 0.002 0.000 1.454 278 F CB -1.115 37.910 39.000 0.043 0.000 1.103 278 F HN 0.281 nan 8.300 nan 0.000 0.577 279 G N -0.502 108.347 108.800 0.083 0.000 2.598 279 G HA2 -0.085 3.875 3.960 -0.001 0.000 0.215 279 G HA3 -0.085 3.875 3.960 -0.001 0.000 0.215 279 G C 1.666 176.624 174.900 0.096 0.000 1.131 279 G CA 0.103 45.251 45.100 0.079 0.000 0.785 279 G HN 0.306 nan 8.290 nan 0.000 0.539 280 L N 0.227 121.479 121.223 0.049 0.000 2.492 280 L HA 0.171 4.511 4.340 -0.001 0.000 0.223 280 L C -0.054 176.806 176.870 -0.018 0.000 1.132 280 L CA 0.314 55.226 54.840 0.120 0.000 0.850 280 L CB 0.302 42.469 42.059 0.181 0.000 0.966 280 L HN -0.030 nan 8.230 nan 0.000 0.454 281 V N -0.610 119.264 119.914 -0.065 0.000 2.482 281 V HA 0.232 4.352 4.120 -0.001 0.000 0.295 281 V C -1.855 174.040 176.094 -0.332 0.000 1.026 281 V CA -0.989 61.187 62.300 -0.206 0.000 0.856 281 V CB 1.749 33.561 31.823 -0.019 0.000 1.001 281 V HN -0.134 nan 8.190 nan 0.000 0.424 282 P HA -0.060 nan 4.420 nan 0.000 0.222 282 P C 1.582 178.708 177.300 -0.290 0.000 1.147 282 P CA 1.304 64.124 63.100 -0.466 0.000 0.790 282 P CB 0.335 31.672 31.700 -0.606 0.000 0.780 283 G N -0.434 108.071 108.800 -0.492 0.000 2.408 283 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.217 283 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.217 283 G C 1.311 175.966 174.900 -0.408 0.000 1.150 283 G CA 0.399 44.948 45.100 -0.919 0.000 0.776 283 G HN 0.127 nan 8.290 nan 0.000 0.542 284 L N 0.000 121.069 121.223 -0.257 0.000 1.994 284 L HA 0.063 4.402 4.340 -0.001 0.000 0.208 284 L C 2.747 179.509 176.870 -0.180 0.000 1.071 284 L CA 1.536 56.239 54.840 -0.228 0.000 0.745 284 L CB -0.896 40.937 42.059 -0.376 0.000 0.892 284 L HN 0.194 nan 8.230 nan 0.000 0.431 285 M N -1.463 118.049 119.600 -0.146 0.000 2.346 285 M HA -0.215 4.265 4.480 -0.001 0.000 0.263 285 M C 2.112 178.295 176.300 -0.195 0.000 1.064 285 M CA 1.409 56.642 55.300 -0.111 0.000 1.083 285 M CB -0.504 32.025 32.600 -0.118 0.000 1.399 285 M HN 0.291 nan 8.290 nan 0.000 0.435 286 M N -1.617 117.833 119.600 -0.250 0.000 2.077 286 M HA -0.252 4.227 4.480 -0.001 0.000 0.261 286 M C 1.605 177.725 176.300 -0.301 0.000 1.070 286 M CA 1.895 57.010 55.300 -0.309 0.000 1.125 286 M CB -0.329 32.116 32.600 -0.259 0.000 1.339 286 M HN 0.239 nan 8.290 nan 0.000 0.409 287 Y N 0.301 120.451 120.300 -0.251 0.000 2.263 287 Y HA -0.026 4.524 4.550 -0.001 0.000 0.292 287 Y C 2.640 178.368 175.900 -0.287 0.000 1.130 287 Y CA 1.364 59.241 58.100 -0.371 0.000 1.179 287 Y CB -0.990 37.056 38.460 -0.690 0.000 0.998 287 Y HN 0.388 nan 8.280 nan 0.000 0.532 288 A N -0.473 122.328 122.820 -0.032 0.000 1.908 288 A HA -0.231 4.088 4.320 -0.001 0.000 0.218 288 A C 2.293 179.916 177.584 0.065 0.000 1.181 288 A CA 2.500 54.637 52.037 0.166 0.000 0.627 288 A CB -1.222 17.919 19.000 0.235 0.000 0.818 288 A HN 0.416 nan 8.150 nan 0.000 0.445 289 T N 0.079 114.600 114.554 -0.054 0.000 2.777 289 T HA -0.038 4.311 4.350 -0.001 0.000 0.266 289 T C 1.798 176.415 174.700 -0.138 0.000 1.040 289 T CA 1.374 63.403 62.100 -0.118 0.000 1.141 289 T CB -0.375 68.366 68.868 -0.213 0.000 0.868 289 T HN 0.416 nan 8.240 nan 0.000 0.444 290 I N -0.687 119.779 120.570 -0.173 0.000 2.226 290 I HA -0.173 3.997 4.170 -0.001 0.000 0.245 290 I C 2.171 178.161 176.117 -0.211 0.000 1.100 290 I CA 1.470 62.623 61.300 -0.246 0.000 1.374 290 I CB -0.227 37.571 38.000 -0.336 0.000 1.057 290 I HN 0.331 nan 8.210 nan 0.000 0.413 291 W N 0.283 121.554 121.300 -0.048 0.000 2.476 291 W HA -0.059 4.601 4.660 -0.001 0.000 0.281 291 W C 2.419 178.919 176.519 -0.032 0.000 1.230 291 W CA 0.337 57.667 57.345 -0.025 0.000 1.287 291 W CB -0.101 29.332 29.460 -0.044 0.000 1.108 291 W HN 0.088 nan 8.180 nan 0.000 0.567 292 L N 0.641 121.957 121.223 0.155 0.000 2.046 292 L HA -0.180 4.160 4.340 -0.001 0.000 0.208 292 L C 2.482 179.395 176.870 0.072 0.000 1.077 292 L CA 1.658 56.549 54.840 0.085 0.000 0.747 292 L CB -0.286 41.794 42.059 0.036 0.000 0.896 292 L HN -0.097 nan 8.230 nan 0.000 0.432 293 R N -0.361 120.127 120.500 -0.020 0.000 2.081 293 R HA -0.220 4.120 4.340 -0.001 0.000 0.235 293 R C 2.223 178.509 176.300 -0.024 0.000 1.131 293 R CA 1.593 57.643 56.100 -0.083 0.000 0.960 293 R CB -0.263 29.942 30.300 -0.160 0.000 0.856 293 R HN 0.330 nan 8.270 nan 0.000 0.436 294 E N -0.150 120.055 120.200 0.008 0.000 2.077 294 E HA -0.241 4.109 4.350 -0.001 0.000 0.193 294 E C 1.696 178.383 176.600 0.145 0.000 0.989 294 E CA 1.787 58.215 56.400 0.047 0.000 0.800 294 E CB -0.206 29.508 29.700 0.024 0.000 0.746 294 E HN 0.450 nan 8.360 nan 0.000 0.452 295 H N -0.210 118.950 119.070 0.151 0.000 2.319 295 H HA -0.074 4.482 4.556 -0.001 0.000 0.299 295 H C 1.604 177.011 175.328 0.131 0.000 1.092 295 H CA 2.291 58.447 56.048 0.180 0.000 1.302 295 H CB -0.097 29.795 29.762 0.217 0.000 1.373 295 H HN 0.139 nan 8.280 nan 0.000 0.497 296 N N 0.073 118.874 118.700 0.168 0.000 2.270 296 N HA -0.101 4.638 4.740 -0.001 0.000 0.181 296 N C 1.973 177.483 175.510 0.000 0.000 1.016 296 N CA 0.803 53.903 53.050 0.083 0.000 0.870 296 N CB -0.321 38.183 38.487 0.029 0.000 0.979 296 N HN 0.389 nan 8.380 nan 0.000 0.431 297 R N 0.665 121.158 120.500 -0.011 0.000 2.073 297 R HA -0.041 4.299 4.340 -0.001 0.000 0.234 297 R C 1.662 177.957 176.300 -0.009 0.000 1.134 297 R CA 1.122 57.210 56.100 -0.020 0.000 0.952 297 R CB -0.218 30.066 30.300 -0.027 0.000 0.850 297 R HN -0.008 nan 8.270 nan 0.000 0.433 298 V N 0.105 120.013 119.914 -0.010 0.000 2.515 298 V HA -0.282 3.838 4.120 -0.001 0.000 0.250 298 V C 2.494 178.584 176.094 -0.007 0.000 1.058 298 V CA 1.471 63.772 62.300 0.001 0.000 1.064 298 V CB -0.388 31.448 31.823 0.021 0.000 0.675 298 V HN 0.534 nan 8.190 nan 0.000 0.461 299 C N 0.114 119.377 119.300 -0.062 0.000 2.413 299 C HA -0.186 4.273 4.460 -0.001 0.000 0.276 299 C C 2.525 177.545 174.990 0.051 0.000 1.248 299 C CA 1.115 60.133 59.018 0.001 0.000 1.742 299 C CB -1.017 26.727 27.740 0.008 0.000 2.017 299 C HN 0.609 nan 8.230 nan 0.000 0.481 300 D N 0.652 121.070 120.400 0.031 0.000 2.097 300 D HA -0.077 4.563 4.640 -0.001 0.000 0.195 300 D C 1.936 178.248 176.300 0.020 0.000 0.989 300 D CA 1.168 55.185 54.000 0.029 0.000 0.827 300 D CB -0.423 40.385 40.800 0.013 0.000 0.966 300 D HN 0.456 nan 8.370 nan 0.000 0.456 301 I N 0.690 121.268 120.570 0.014 0.000 2.163 301 I HA -0.265 3.905 4.170 -0.001 0.000 0.243 301 I C 2.481 178.599 176.117 0.002 0.000 1.085 301 I CA 0.852 62.155 61.300 0.005 0.000 1.347 301 I CB -0.174 37.834 38.000 0.014 0.000 1.044 301 I HN -0.022 nan 8.210 nan 0.000 0.408 302 L N 0.393 121.644 121.223 0.047 0.000 2.093 302 L HA -0.213 4.127 4.340 -0.001 0.000 0.208 302 L C 2.597 179.483 176.870 0.027 0.000 1.085 302 L CA 1.282 56.165 54.840 0.072 0.000 0.755 302 L CB -0.510 41.675 42.059 0.211 0.000 0.904 302 L HN 0.227 nan 8.230 nan 0.000 0.435 303 K N 0.061 120.499 120.400 0.063 0.000 2.097 303 K HA -0.266 4.053 4.320 -0.001 0.000 0.206 303 K C 2.172 178.761 176.600 -0.018 0.000 1.049 303 K CA 1.404 57.725 56.287 0.058 0.000 0.933 303 K CB 0.065 32.614 32.500 0.083 0.000 0.717 303 K HN 0.097 nan 8.250 nan 0.000 0.442 304 Q N 0.816 120.592 119.800 -0.039 0.000 2.061 304 Q HA -0.170 4.169 4.340 -0.001 0.000 0.204 304 Q C 1.738 177.646 176.000 -0.153 0.000 0.984 304 Q CA 1.874 57.634 55.803 -0.072 0.000 0.846 304 Q CB 0.101 28.805 28.738 -0.057 0.000 0.902 304 Q HN 0.304 nan 8.270 nan 0.000 0.421 305 E N -0.552 119.503 120.200 -0.242 0.000 2.107 305 E HA -0.088 4.262 4.350 -0.001 0.000 0.191 305 E C 0.136 176.297 176.600 -0.732 0.000 0.982 305 E CA 0.859 56.969 56.400 -0.483 0.000 0.809 305 E CB 0.132 29.476 29.700 -0.593 0.000 0.756 305 E HN 0.480 nan 8.360 nan 0.000 0.459 306 H N 0.222 119.057 119.070 -0.391 0.000 2.423 306 H HA 0.170 4.726 4.556 -0.001 0.000 0.237 306 H C -1.788 173.395 175.328 -0.242 0.000 1.391 306 H CA -1.677 54.046 56.048 -0.541 0.000 1.453 306 H CB 1.163 30.056 29.762 -1.449 0.000 1.484 306 H HN 0.020 nan 8.280 nan 0.000 0.505 307 P HA -0.132 nan 4.420 nan 0.000 0.225 307 P C 0.979 178.332 177.300 0.088 0.000 1.148 307 P CA 0.923 64.037 63.100 0.025 0.000 0.779 307 P CB 0.476 32.177 31.700 0.001 0.000 0.780 308 E N -2.128 118.136 120.200 0.107 0.000 2.435 308 E HA -0.077 4.273 4.350 -0.001 0.000 0.195 308 E C 0.362 177.159 176.600 0.328 0.000 1.029 308 E CA -0.052 56.457 56.400 0.181 0.000 0.865 308 E CB -1.159 28.641 29.700 0.167 0.000 0.833 308 E HN 0.212 nan 8.360 nan 0.000 0.510 309 W N 2.003 123.352 121.300 0.081 0.000 2.216 309 W HA 0.575 5.235 4.660 -0.001 0.000 0.326 309 W C 1.214 177.769 176.519 0.060 0.000 1.319 309 W CA -0.527 56.850 57.345 0.053 0.000 1.213 309 W CB 0.530 30.018 29.460 0.048 0.000 1.171 309 W HN 0.049 nan 8.180 nan 0.000 0.557 310 G N 1.251 110.178 108.800 0.212 0.000 2.525 310 G HA2 0.070 4.029 3.960 -0.001 0.000 0.287 310 G HA3 0.070 4.029 3.960 -0.001 0.000 0.287 310 G C 0.338 175.327 174.900 0.149 0.000 1.350 310 G CA -0.072 45.115 45.100 0.144 0.000 1.039 310 G HN 0.474 nan 8.290 nan 0.000 0.513 311 D N -1.320 119.163 120.400 0.139 0.000 2.117 311 D HA -0.123 4.516 4.640 -0.001 0.000 0.198 311 D C 2.054 178.459 176.300 0.175 0.000 0.982 311 D CA 1.242 55.344 54.000 0.171 0.000 0.828 311 D CB 0.135 41.044 40.800 0.181 0.000 0.967 311 D HN 0.273 nan 8.370 nan 0.000 0.464 312 E N 0.259 120.532 120.200 0.123 0.000 2.038 312 E HA -0.247 4.102 4.350 -0.001 0.000 0.195 312 E C 2.020 178.678 176.600 0.096 0.000 1.000 312 E CA 0.997 57.468 56.400 0.119 0.000 0.803 312 E CB -0.393 29.341 29.700 0.056 0.000 0.750 312 E HN 0.538 nan 8.360 nan 0.000 0.448 313 Q N 0.064 119.831 119.800 -0.055 0.000 2.119 313 Q HA -0.090 4.249 4.340 -0.001 0.000 0.201 313 Q C 2.470 178.386 176.000 -0.139 0.000 0.972 313 Q CA 0.773 56.410 55.803 -0.275 0.000 0.847 313 Q CB -0.008 28.293 28.738 -0.728 0.000 0.903 313 Q HN 0.209 nan 8.270 nan 0.000 0.433 314 L N -0.232 121.052 121.223 0.102 0.000 1.994 314 L HA -0.178 4.162 4.340 -0.001 0.000 0.208 314 L C 2.310 179.299 176.870 0.197 0.000 1.071 314 L CA 1.392 56.390 54.840 0.263 0.000 0.745 314 L CB -0.583 41.656 42.059 0.300 0.000 0.892 314 L HN 0.308 nan 8.230 nan 0.000 0.431 315 F N 0.524 120.538 119.950 0.106 0.000 2.069 315 F HA -0.286 4.241 4.527 -0.001 0.000 0.298 315 F C 2.731 178.587 175.800 0.093 0.000 1.113 315 F CA 1.694 59.783 58.000 0.149 0.000 1.214 315 F CB -0.237 38.825 39.000 0.103 0.000 0.978 315 F HN 0.068 nan 8.300 nan 0.000 0.474 316 Q N -0.097 119.715 119.800 0.020 0.000 2.046 316 Q HA -0.135 4.205 4.340 -0.001 0.000 0.200 316 Q C 2.254 178.183 176.000 -0.118 0.000 0.975 316 Q CA 2.227 57.965 55.803 -0.108 0.000 0.836 316 Q CB -1.194 27.556 28.738 0.019 0.000 0.896 316 Q HN 0.428 nan 8.270 nan 0.000 0.428 317 T N 1.104 115.631 114.554 -0.045 0.000 2.746 317 T HA -0.092 4.258 4.350 -0.001 0.000 0.267 317 T C 2.191 176.956 174.700 0.109 0.000 1.039 317 T CA 1.477 63.614 62.100 0.061 0.000 1.142 317 T CB -0.194 68.771 68.868 0.161 0.000 0.866 317 T HN 0.188 nan 8.240 nan 0.000 0.444 318 S N 0.823 116.536 115.700 0.022 0.000 2.370 318 S HA -0.118 4.352 4.470 -0.001 0.000 0.226 318 S C 2.099 176.720 174.600 0.035 0.000 1.033 318 S CA 1.139 59.323 58.200 -0.026 0.000 1.011 318 S CB -0.263 62.754 63.200 -0.305 0.000 0.852 318 S HN 0.482 nan 8.310 nan 0.000 0.457 319 R N 1.001 121.419 120.500 -0.136 0.000 2.081 319 R HA -0.014 4.326 4.340 -0.001 0.000 0.235 319 R C 2.087 178.430 176.300 0.071 0.000 1.131 319 R CA 1.144 57.146 56.100 -0.164 0.000 0.960 319 R CB -0.371 29.441 30.300 -0.815 0.000 0.856 319 R HN 0.352 nan 8.270 nan 0.000 0.436 320 L N 0.417 121.712 121.223 0.120 0.000 2.083 320 L HA -0.160 4.180 4.340 -0.001 0.000 0.209 320 L C 2.457 179.576 176.870 0.415 0.000 1.083 320 L CA 1.157 56.187 54.840 0.316 0.000 0.752 320 L CB -0.329 41.961 42.059 0.385 0.000 0.899 320 L HN 0.257 nan 8.230 nan 0.000 0.433 321 I N -0.579 120.204 120.570 0.355 0.000 2.179 321 I HA -0.307 3.862 4.170 -0.001 0.000 0.242 321 I C 2.337 178.587 176.117 0.223 0.000 1.088 321 I CA 1.203 62.650 61.300 0.246 0.000 1.357 321 I CB -0.157 37.974 38.000 0.218 0.000 1.051 321 I HN 0.180 nan 8.210 nan 0.000 0.409 322 L N 0.244 121.624 121.223 0.261 0.000 2.131 322 L HA -0.175 4.165 4.340 -0.001 0.000 0.210 322 L C 2.281 179.266 176.870 0.192 0.000 1.092 322 L CA 1.668 56.686 54.840 0.296 0.000 0.759 322 L CB -0.472 41.802 42.059 0.358 0.000 0.903 322 L HN 0.170 nan 8.230 nan 0.000 0.435 323 I N -1.065 119.624 120.570 0.198 0.000 2.142 323 I HA -0.244 3.926 4.170 -0.001 0.000 0.240 323 I C 2.563 178.781 176.117 0.167 0.000 1.078 323 I CA 1.434 62.837 61.300 0.171 0.000 1.343 323 I CB -1.072 37.052 38.000 0.207 0.000 1.046 323 I HN 0.344 nan 8.210 nan 0.000 0.405 324 G N 0.526 109.459 108.800 0.222 0.000 2.476 324 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.218 324 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.218 324 G C 1.499 176.473 174.900 0.123 0.000 1.164 324 G CA 0.923 46.154 45.100 0.218 0.000 0.768 324 G HN 0.438 nan 8.290 nan 0.000 0.560 325 E N -0.297 120.006 120.200 0.172 0.000 2.085 325 E HA -0.116 4.233 4.350 -0.001 0.000 0.194 325 E C 2.800 179.531 176.600 0.218 0.000 0.994 325 E CA 1.485 58.016 56.400 0.218 0.000 0.801 325 E CB -0.280 29.634 29.700 0.357 0.000 0.743 325 E HN 0.376 nan 8.360 nan 0.000 0.453 326 T N 1.369 116.036 114.554 0.189 0.000 2.746 326 T HA -0.121 4.228 4.350 -0.001 0.000 0.267 326 T C 1.991 176.669 174.700 -0.036 0.000 1.039 326 T CA 0.960 63.133 62.100 0.121 0.000 1.142 326 T CB -0.163 68.688 68.868 -0.027 0.000 0.866 326 T HN 0.118 nan 8.240 nan 0.000 0.444 327 I N 0.745 121.227 120.570 -0.147 0.000 2.315 327 I HA -0.117 4.052 4.170 -0.001 0.000 0.248 327 I C 2.516 178.282 176.117 -0.586 0.000 1.117 327 I CA 0.989 62.075 61.300 -0.357 0.000 1.404 327 I CB -0.265 37.444 38.000 -0.484 0.000 1.071 327 I HN 0.124 nan 8.210 nan 0.000 0.419 328 K N 1.963 121.995 120.400 -0.613 0.000 2.002 328 K HA -0.134 4.185 4.320 -0.001 0.000 0.209 328 K C 1.884 178.439 176.600 -0.075 0.000 1.048 328 K CA 1.803 57.888 56.287 -0.337 0.000 0.930 328 K CB -0.361 32.130 32.500 -0.015 0.000 0.714 328 K HN 0.236 nan 8.250 nan 0.000 0.438 329 I N 0.018 120.585 120.570 -0.006 0.000 2.252 329 I HA -0.226 3.944 4.170 -0.001 0.000 0.245 329 I C 2.060 178.190 176.117 0.023 0.000 1.102 329 I CA 0.790 62.123 61.300 0.055 0.000 1.385 329 I CB -0.179 37.912 38.000 0.153 0.000 1.064 329 I HN -0.031 nan 8.210 nan 0.000 0.414 330 V N 1.246 121.107 119.914 -0.088 0.000 2.332 330 V HA -0.291 3.829 4.120 -0.001 0.000 0.248 330 V C 2.256 178.397 176.094 0.078 0.000 1.055 330 V CA 1.949 64.148 62.300 -0.168 0.000 1.038 330 V CB -0.362 31.177 31.823 -0.473 0.000 0.651 330 V HN 0.331 nan 8.190 nan 0.000 0.450 331 I N -0.635 119.961 120.570 0.044 0.000 2.235 331 I HA -0.145 4.024 4.170 -0.001 0.000 0.241 331 I C 2.464 178.663 176.117 0.136 0.000 1.085 331 I CA 1.482 62.853 61.300 0.119 0.000 1.378 331 I CB -0.287 37.781 38.000 0.113 0.000 1.076 331 I HN 0.307 nan 8.210 nan 0.000 0.415 332 E N 0.181 120.448 120.200 0.112 0.000 2.318 332 E HA -0.109 4.240 4.350 -0.001 0.000 0.193 332 E C 1.097 177.767 176.600 0.116 0.000 0.998 332 E CA 0.667 57.127 56.400 0.100 0.000 0.859 332 E CB 0.250 30.002 29.700 0.087 0.000 0.812 332 E HN 0.477 nan 8.360 nan 0.000 0.492 333 D N -0.564 119.941 120.400 0.174 0.000 2.725 333 D HA -0.047 4.593 4.640 -0.001 0.000 0.269 333 D C 1.583 178.181 176.300 0.496 0.000 1.018 333 D CA 0.395 54.552 54.000 0.263 0.000 0.956 333 D CB -0.180 40.719 40.800 0.164 0.000 1.141 333 D HN 0.087 nan 8.370 nan 0.000 0.478 334 Y N 2.070 122.544 120.300 0.291 0.000 2.153 334 Y HA -0.132 4.417 4.550 -0.001 0.000 0.289 334 Y C 2.219 178.211 175.900 0.153 0.000 1.119 334 Y CA 1.287 59.416 58.100 0.048 0.000 1.116 334 Y CB -0.314 38.005 38.460 -0.234 0.000 1.004 334 Y HN -0.286 nan 8.280 nan 0.000 0.501 335 V N 0.895 121.030 119.914 0.368 0.000 2.343 335 V HA -0.316 3.803 4.120 -0.001 0.000 0.247 335 V C 2.337 178.464 176.094 0.055 0.000 1.051 335 V CA 2.169 64.597 62.300 0.212 0.000 1.036 335 V CB -0.862 31.118 31.823 0.261 0.000 0.654 335 V HN 0.452 nan 8.190 nan 0.000 0.451 336 Q N 0.543 120.402 119.800 0.099 0.000 2.045 336 Q HA -0.303 4.037 4.340 -0.001 0.000 0.206 336 Q C 2.151 178.142 176.000 -0.016 0.000 0.991 336 Q CA 2.761 58.589 55.803 0.043 0.000 0.851 336 Q CB -0.599 28.188 28.738 0.082 0.000 0.911 336 Q HN 0.870 nan 8.270 nan 0.000 0.418 337 H N -1.030 118.018 119.070 -0.036 0.000 2.387 337 H HA -0.083 4.472 4.556 -0.001 0.000 0.299 337 H C 1.590 176.758 175.328 -0.267 0.000 1.090 337 H CA 1.656 57.637 56.048 -0.112 0.000 1.332 337 H CB -0.271 29.469 29.762 -0.035 0.000 1.386 337 H HN 0.351 nan 8.280 nan 0.000 0.516 338 L N 0.541 121.438 121.223 -0.543 0.000 2.072 338 L HA -0.086 4.253 4.340 -0.001 0.000 0.205 338 L C 2.718 179.280 176.870 -0.513 0.000 1.079 338 L CA 1.787 56.224 54.840 -0.672 0.000 0.752 338 L CB -1.006 40.831 42.059 -0.371 0.000 0.906 338 L HN 0.569 nan 8.230 nan 0.000 0.436 339 S N -0.608 114.832 115.700 -0.434 0.000 2.383 339 S HA -0.069 4.401 4.470 -0.001 0.000 0.229 339 S C 1.765 175.988 174.600 -0.628 0.000 1.030 339 S CA 1.056 58.859 58.200 -0.662 0.000 1.002 339 S CB -0.997 61.577 63.200 -1.044 0.000 0.829 339 S HN 0.761 nan 8.310 nan 0.000 0.467 340 G N -0.491 108.030 108.800 -0.464 0.000 2.143 340 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.249 340 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.249 340 G C -0.173 174.570 174.900 -0.262 0.000 0.981 340 G CA 0.281 45.180 45.100 -0.335 0.000 0.665 340 G HN 0.509 nan 8.290 nan 0.000 0.528 341 Y N 0.151 120.259 120.300 -0.320 0.000 2.309 341 Y HA 0.473 5.022 4.550 -0.000 0.000 0.327 341 Y C 1.676 177.368 175.900 -0.346 0.000 1.172 341 Y CA -0.568 57.292 58.100 -0.400 0.000 1.280 341 Y CB 0.543 38.845 38.460 -0.263 0.000 1.234 341 Y HN 0.317 nan 8.280 nan 0.000 0.512 342 H N 1.204 120.158 119.070 -0.192 0.000 2.548 342 H HA -0.001 4.555 4.556 -0.001 0.000 0.268 342 H C -0.011 175.216 175.328 -0.169 0.000 0.975 342 H CA -0.243 55.708 56.048 -0.162 0.000 1.195 342 H CB 0.238 29.942 29.762 -0.096 0.000 1.397 342 H HN 0.374 nan 8.280 nan 0.000 0.572 343 F N 2.551 122.211 119.950 -0.485 0.000 2.495 343 F HA 0.130 4.656 4.527 -0.001 0.000 0.365 343 F C 0.415 176.180 175.800 -0.058 0.000 1.090 343 F CA -0.984 56.808 58.000 -0.347 0.000 1.235 343 F CB 0.581 39.163 39.000 -0.696 0.000 1.119 343 F HN -0.225 nan 8.300 nan 0.000 0.562 344 K N 7.517 127.473 120.400 -0.741 0.000 2.250 344 K HA 0.336 4.656 4.320 -0.001 0.000 0.285 344 K C -0.715 175.419 176.600 -0.776 0.000 1.097 344 K CA -0.250 55.718 56.287 -0.533 0.000 0.913 344 K CB -0.070 32.265 32.500 -0.276 0.000 1.179 344 K HN 0.701 nan 8.250 nan 0.000 0.462 345 L N 3.029 124.004 121.223 -0.414 0.000 2.499 345 L HA 0.107 4.447 4.340 -0.001 0.000 0.281 345 L C 0.372 177.191 176.870 -0.086 0.000 1.234 345 L CA 0.302 55.038 54.840 -0.173 0.000 0.839 345 L CB 0.344 42.429 42.059 0.043 0.000 1.104 345 L HN 0.540 nan 8.230 nan 0.000 0.500 346 K N 1.632 122.041 120.400 0.015 0.000 2.443 346 K HA 0.339 4.659 4.320 -0.001 0.000 0.252 346 K C -1.288 175.392 176.600 0.134 0.000 0.933 346 K CA -0.701 55.617 56.287 0.052 0.000 0.792 346 K CB 1.473 33.984 32.500 0.019 0.000 1.185 346 K HN 0.300 nan 8.250 nan 0.000 0.425 347 F N 4.510 124.451 119.950 -0.016 0.000 2.368 347 F HA 0.327 4.853 4.527 -0.000 0.000 0.362 347 F C -0.949 174.794 175.800 -0.095 0.000 1.137 347 F CA -0.708 57.264 58.000 -0.046 0.000 1.161 347 F CB 0.451 39.443 39.000 -0.013 0.000 1.265 347 F HN 0.461 nan 8.300 nan 0.000 0.530 348 D N 8.190 128.297 120.400 -0.488 0.000 2.323 348 D HA 0.341 4.981 4.640 -0.001 0.000 0.242 348 D C -2.252 173.621 176.300 -0.712 0.000 1.347 348 D CA -2.008 51.630 54.000 -0.604 0.000 0.988 348 D CB 1.913 42.552 40.800 -0.268 0.000 1.314 348 D HN 0.162 nan 8.370 nan 0.000 0.564 349 P HA -0.115 nan 4.420 nan 0.000 0.218 349 P C 0.890 177.544 177.300 -1.077 0.000 1.148 349 P CA 0.953 63.480 63.100 -0.955 0.000 0.822 349 P CB 0.368 31.265 31.700 -1.339 0.000 0.784 350 E N -0.375 119.143 120.200 -1.137 0.000 2.209 350 E HA -0.150 4.200 4.350 -0.001 0.000 0.196 350 E C 1.851 177.973 176.600 -0.796 0.000 0.993 350 E CA 0.794 56.373 56.400 -1.368 0.000 0.819 350 E CB -0.672 28.766 29.700 -0.437 0.000 0.745 350 E HN 0.326 nan 8.360 nan 0.000 0.477 351 L N 0.429 121.369 121.223 -0.472 0.000 2.261 351 L HA -0.182 4.157 4.340 -0.001 0.000 0.216 351 L C 2.098 178.857 176.870 -0.185 0.000 1.114 351 L CA 0.843 55.541 54.840 -0.237 0.000 0.777 351 L CB -0.280 41.681 42.059 -0.163 0.000 0.910 351 L HN 0.166 nan 8.230 nan 0.000 0.440 352 L N -2.098 118.974 121.223 -0.251 0.000 2.607 352 L HA 0.069 4.409 4.340 -0.001 0.000 0.228 352 L C 1.978 178.994 176.870 0.243 0.000 1.123 352 L CA -0.029 54.775 54.840 -0.060 0.000 0.890 352 L CB -0.142 41.792 42.059 -0.208 0.000 1.103 352 L HN 0.172 nan 8.230 nan 0.000 0.468 353 F N 1.362 121.376 119.950 0.106 0.000 2.234 353 F HA -0.150 4.376 4.527 -0.001 0.000 0.299 353 F C 2.020 177.896 175.800 0.127 0.000 1.087 353 F CA 0.503 58.592 58.000 0.147 0.000 1.340 353 F CB -0.056 39.022 39.000 0.130 0.000 1.031 353 F HN 0.393 nan 8.300 nan 0.000 0.500 354 N N 0.009 118.878 118.700 0.280 0.000 2.314 354 N HA 0.001 4.741 4.740 -0.001 0.000 0.200 354 N C -0.155 175.444 175.510 0.148 0.000 1.135 354 N CA 0.127 53.288 53.050 0.185 0.000 0.835 354 N CB -0.083 38.492 38.487 0.146 0.000 0.989 354 N HN 0.224 nan 8.380 nan 0.000 0.478 355 Q N 0.262 120.160 119.800 0.163 0.000 2.351 355 Q HA 0.367 4.706 4.340 -0.001 0.000 0.273 355 Q C -1.030 175.061 176.000 0.153 0.000 1.077 355 Q CA -0.570 55.311 55.803 0.129 0.000 0.843 355 Q CB 1.664 30.458 28.738 0.095 0.000 1.367 355 Q HN 0.210 nan 8.270 nan 0.000 0.449 356 Q N 1.545 121.421 119.800 0.126 0.000 2.293 356 Q HA 0.463 4.803 4.340 -0.001 0.000 0.263 356 Q C -1.304 174.803 176.000 0.179 0.000 1.002 356 Q CA 0.141 56.016 55.803 0.120 0.000 0.910 356 Q CB 0.536 29.317 28.738 0.072 0.000 1.185 356 Q HN 0.500 nan 8.270 nan 0.000 0.401 357 F N 1.464 121.361 119.950 -0.088 0.000 2.654 357 F HA 0.146 4.673 4.527 -0.001 0.000 0.314 357 F C -1.535 174.070 175.800 -0.325 0.000 1.116 357 F CA -0.845 57.027 58.000 -0.214 0.000 1.017 357 F CB 1.618 40.436 39.000 -0.303 0.000 1.285 357 F HN 0.289 nan 8.300 nan 0.000 0.448 358 Q N 5.602 124.842 119.800 -0.933 0.000 2.360 358 Q HA 0.200 4.539 4.340 -0.001 0.000 0.254 358 Q C -1.196 174.389 176.000 -0.692 0.000 0.975 358 Q CA -0.215 55.226 55.803 -0.602 0.000 0.912 358 Q CB 0.865 29.362 28.738 -0.400 0.000 1.212 358 Q HN 0.680 nan 8.270 nan 0.000 0.452 359 Y N 3.008 123.275 120.300 -0.054 0.000 2.734 359 Y HA 0.037 4.587 4.550 -0.001 0.000 0.353 359 Y C 0.856 176.766 175.900 0.017 0.000 1.244 359 Y CA -0.132 58.022 58.100 0.090 0.000 1.950 359 Y CB 0.121 38.698 38.460 0.196 0.000 2.028 359 Y HN 0.437 nan 8.280 nan 0.000 0.421 360 Q N 0.027 119.837 119.800 0.017 0.000 2.630 360 Q HA 0.572 4.911 4.340 -0.001 0.000 0.295 360 Q C -1.986 173.987 176.000 -0.044 0.000 0.944 360 Q CA -1.300 54.506 55.803 0.005 0.000 0.766 360 Q CB 2.232 30.963 28.738 -0.012 0.000 1.471 360 Q HN 0.288 nan 8.270 nan 0.000 0.416 361 N N -0.553 118.126 118.700 -0.035 0.000 2.504 361 N HA 0.556 5.295 4.740 -0.001 0.000 0.268 361 N C -2.226 173.242 175.510 -0.069 0.000 1.184 361 N CA -0.487 52.537 53.050 -0.044 0.000 0.875 361 N CB 2.437 40.918 38.487 -0.010 0.000 1.630 361 N HN 0.623 nan 8.380 nan 0.000 0.486 362 R N 2.268 122.721 120.500 -0.078 0.000 2.575 362 R HA 0.543 4.883 4.340 -0.001 0.000 0.293 362 R C -0.936 175.417 176.300 0.089 0.000 0.983 362 R CA -0.595 55.424 56.100 -0.136 0.000 0.887 362 R CB 0.749 30.889 30.300 -0.268 0.000 1.184 362 R HN 0.525 nan 8.270 nan 0.000 0.445 363 I N 3.542 124.347 120.570 0.392 0.000 2.517 363 I HA 0.229 4.399 4.170 -0.001 0.000 0.285 363 I C 0.502 176.813 176.117 0.323 0.000 1.106 363 I CA -0.062 61.444 61.300 0.345 0.000 1.402 363 I CB 0.558 38.801 38.000 0.405 0.000 1.399 363 I HN 0.684 nan 8.210 nan 0.000 0.535 364 A N 4.805 127.685 122.820 0.100 0.000 2.331 364 A HA 0.296 4.616 4.320 -0.001 0.000 0.283 364 A C 1.296 178.782 177.584 -0.163 0.000 1.142 364 A CA -0.232 51.767 52.037 -0.064 0.000 0.812 364 A CB 0.815 19.598 19.000 -0.362 0.000 1.074 364 A HN 0.790 nan 8.150 nan 0.000 0.497 365 S N 0.949 116.565 115.700 -0.140 0.000 2.374 365 S HA -0.197 4.272 4.470 -0.001 0.000 0.227 365 S C 1.620 176.076 174.600 -0.240 0.000 1.037 365 S CA 2.446 60.478 58.200 -0.279 0.000 1.024 365 S CB -0.318 62.866 63.200 -0.027 0.000 0.861 365 S HN 0.799 nan 8.310 nan 0.000 0.456 366 E N -0.072 119.983 120.200 -0.242 0.000 2.204 366 E HA -0.005 4.345 4.350 -0.001 0.000 0.194 366 E C 1.543 178.000 176.600 -0.238 0.000 0.989 366 E CA 0.708 56.968 56.400 -0.233 0.000 0.824 366 E CB -0.277 29.264 29.700 -0.264 0.000 0.756 366 E HN 0.556 nan 8.360 nan 0.000 0.477 367 F N 1.923 121.444 119.950 -0.713 0.000 2.113 367 F HA -0.144 4.383 4.527 -0.000 0.000 0.297 367 F C 1.967 177.552 175.800 -0.359 0.000 1.103 367 F CA 1.171 58.853 58.000 -0.529 0.000 1.248 367 F CB -0.511 38.113 39.000 -0.627 0.000 0.999 367 F HN 0.021 nan 8.300 nan 0.000 0.475 368 N N 0.145 118.411 118.700 -0.723 0.000 2.025 368 N HA -0.193 4.547 4.740 -0.001 0.000 0.194 368 N C 1.755 176.887 175.510 -0.630 0.000 1.044 368 N CA 2.545 54.724 53.050 -1.453 0.000 0.851 368 N CB -0.771 36.981 38.487 -1.225 0.000 1.036 368 N HN 0.290 nan 8.380 nan 0.000 0.422 369 T N 2.175 116.486 114.554 -0.405 0.000 2.624 369 T HA -0.191 4.159 4.350 -0.001 0.000 0.268 369 T C 1.956 176.589 174.700 -0.111 0.000 1.041 369 T CA 2.122 64.012 62.100 -0.350 0.000 1.159 369 T CB -0.543 68.215 68.868 -0.183 0.000 0.863 369 T HN 0.461 nan 8.240 nan 0.000 0.434 370 L N -1.155 120.045 121.223 -0.038 0.000 2.275 370 L HA 0.127 4.467 4.340 -0.001 0.000 0.215 370 L C 2.012 178.899 176.870 0.028 0.000 1.119 370 L CA 1.436 56.321 54.840 0.075 0.000 0.790 370 L CB -1.221 40.884 42.059 0.078 0.000 0.919 370 L HN 0.186 nan 8.230 nan 0.000 0.443 371 Y N 0.083 120.196 120.300 -0.312 0.000 2.529 371 Y HA 0.088 4.637 4.550 -0.001 0.000 0.290 371 Y C 0.882 176.374 175.900 -0.680 0.000 1.177 371 Y CA -0.030 57.568 58.100 -0.836 0.000 1.305 371 Y CB -0.184 37.833 38.460 -0.738 0.000 1.047 371 Y HN 0.292 nan 8.280 nan 0.000 0.522 372 H N 0.029 119.007 119.070 -0.153 0.000 3.198 372 H HA -0.089 4.466 4.556 -0.001 0.000 0.255 372 H C -0.540 174.954 175.328 0.276 0.000 1.729 372 H CA -0.227 55.841 56.048 0.034 0.000 1.495 372 H CB -0.366 29.507 29.762 0.185 0.000 1.807 372 H HN 0.380 nan 8.280 nan 0.000 0.554 373 W N 1.856 123.198 121.300 0.069 0.000 2.676 373 W HA 0.118 4.777 4.660 -0.001 0.000 0.430 373 W C 0.706 177.251 176.519 0.043 0.000 0.690 373 W CA -1.006 56.413 57.345 0.123 0.000 2.297 373 W CB -1.117 28.465 29.460 0.203 0.000 1.361 373 W HN 0.664 nan 8.180 nan 0.000 0.800 374 H N 0.460 119.768 119.070 0.397 0.000 2.456 374 H HA -0.109 4.447 4.556 -0.001 0.000 0.296 374 H C -0.541 174.937 175.328 0.250 0.000 1.079 374 H CA 1.505 57.728 56.048 0.292 0.000 1.322 374 H CB -1.213 28.703 29.762 0.257 0.000 1.388 374 H HN 0.008 nan 8.280 nan 0.000 0.538 375 P HA -0.125 nan 4.420 nan 0.000 0.225 375 P C 1.068 178.478 177.300 0.183 0.000 1.148 375 P CA 0.968 64.194 63.100 0.211 0.000 0.779 375 P CB -0.005 31.777 31.700 0.137 0.000 0.780 376 L N -1.806 119.538 121.223 0.202 0.000 2.187 376 L HA -0.117 4.223 4.340 -0.001 0.000 0.213 376 L C 1.179 178.145 176.870 0.161 0.000 1.100 376 L CA 0.575 55.517 54.840 0.171 0.000 0.765 376 L CB -0.712 41.471 42.059 0.205 0.000 0.904 376 L HN 0.009 nan 8.230 nan 0.000 0.437 377 L N 1.059 122.394 121.223 0.187 0.000 2.426 377 L HA 0.162 4.502 4.340 -0.001 0.000 0.271 377 L C -1.808 175.112 176.870 0.083 0.000 1.169 377 L CA -1.687 53.232 54.840 0.131 0.000 0.836 377 L CB 0.103 42.366 42.059 0.340 0.000 1.112 377 L HN -0.132 nan 8.230 nan 0.000 0.465 378 P HA 0.135 nan 4.420 nan 0.000 0.279 378 P C -0.435 176.659 177.300 -0.343 0.000 1.282 378 P CA -0.424 62.400 63.100 -0.460 0.000 0.788 378 P CB 1.073 32.366 31.700 -0.679 0.000 1.139 379 D N -1.202 118.955 120.400 -0.405 0.000 2.123 379 D HA -0.022 4.617 4.640 -0.001 0.000 0.200 379 D C 0.851 177.052 176.300 -0.164 0.000 0.976 379 D CA 1.690 55.598 54.000 -0.153 0.000 0.831 379 D CB -0.286 40.416 40.800 -0.164 0.000 0.974 379 D HN 0.537 nan 8.370 nan 0.000 0.469 380 T N -2.568 111.766 114.554 -0.367 0.000 2.901 380 T HA 0.590 4.940 4.350 -0.001 0.000 0.293 380 T C -0.655 173.691 174.700 -0.589 0.000 1.084 380 T CA -0.915 60.974 62.100 -0.352 0.000 1.008 380 T CB 1.328 70.106 68.868 -0.150 0.000 1.170 380 T HN -0.197 nan 8.240 nan 0.000 0.509 381 F N 1.914 121.700 119.950 -0.274 0.000 2.361 381 F HA 0.438 4.964 4.527 -0.001 0.000 0.364 381 F C 0.469 176.210 175.800 -0.100 0.000 1.120 381 F CA -1.039 56.785 58.000 -0.293 0.000 1.102 381 F CB 0.891 39.374 39.000 -0.862 0.000 1.183 381 F HN 0.414 nan 8.300 nan 0.000 0.476 382 N N 5.429 124.163 118.700 0.057 0.000 2.558 382 N HA 0.370 5.110 4.740 -0.001 0.000 0.233 382 N C -0.738 174.692 175.510 -0.134 0.000 1.038 382 N CA -0.102 52.919 53.050 -0.048 0.000 0.934 382 N CB 1.031 39.475 38.487 -0.073 0.000 1.175 382 N HN 0.514 nan 8.380 nan 0.000 0.512 383 I N 1.168 121.612 120.570 -0.210 0.000 2.382 383 I HA 0.135 4.305 4.170 -0.001 0.000 0.285 383 I C 1.010 176.886 176.117 -0.400 0.000 1.007 383 I CA -0.322 60.704 61.300 -0.456 0.000 1.142 383 I CB 0.923 38.510 38.000 -0.687 0.000 1.289 383 I HN 0.535 nan 8.210 nan 0.000 0.453 384 E N 3.264 123.290 120.200 -0.290 0.000 3.148 384 E HA -0.320 4.029 4.350 -0.001 0.000 0.342 384 E C 0.156 176.699 176.600 -0.095 0.000 1.461 384 E CA 1.981 58.295 56.400 -0.143 0.000 1.588 384 E CB -0.436 29.226 29.700 -0.063 0.000 1.798 384 E HN 0.766 nan 8.360 nan 0.000 0.512 385 D N 0.613 120.991 120.400 -0.038 0.000 2.317 385 D HA -0.007 4.633 4.640 -0.001 0.000 0.211 385 D C 0.320 176.568 176.300 -0.087 0.000 0.966 385 D CA 0.892 54.868 54.000 -0.039 0.000 0.876 385 D CB 0.025 40.825 40.800 -0.000 0.000 0.927 385 D HN 0.107 nan 8.370 nan 0.000 0.519 386 Q N 0.525 120.243 119.800 -0.137 0.000 2.205 386 Q HA 0.396 4.735 4.340 -0.001 0.000 0.249 386 Q C -0.250 175.533 176.000 -0.362 0.000 0.948 386 Q CA -0.091 55.538 55.803 -0.290 0.000 0.895 386 Q CB 1.599 30.071 28.738 -0.444 0.000 1.249 386 Q HN 0.171 nan 8.270 nan 0.000 0.458 387 E N 1.599 121.546 120.200 -0.422 0.000 2.220 387 E HA 0.303 4.653 4.350 -0.001 0.000 0.256 387 E C -1.194 175.220 176.600 -0.311 0.000 0.881 387 E CA -0.327 55.903 56.400 -0.282 0.000 0.766 387 E CB 1.066 30.670 29.700 -0.161 0.000 1.187 387 E HN 0.366 nan 8.360 nan 0.000 0.419 388 Y N 1.206 121.548 120.300 0.070 0.000 2.323 388 Y HA 0.164 4.713 4.550 -0.001 0.000 0.331 388 Y C 1.211 177.204 175.900 0.156 0.000 1.092 388 Y CA -0.688 57.502 58.100 0.150 0.000 1.150 388 Y CB 1.300 39.915 38.460 0.259 0.000 1.200 388 Y HN 0.430 nan 8.280 nan 0.000 0.472 389 S N 1.290 117.180 115.700 0.318 0.000 2.626 389 S HA 0.136 4.606 4.470 -0.001 0.000 0.257 389 S C 0.804 175.651 174.600 0.412 0.000 1.288 389 S CA -0.378 58.009 58.200 0.313 0.000 0.980 389 S CB 0.289 63.651 63.200 0.270 0.000 0.975 389 S HN 0.556 nan 8.310 nan 0.000 0.577 390 F N 0.750 120.898 119.950 0.330 0.000 2.171 390 F HA 0.059 4.585 4.527 -0.001 0.000 0.300 390 F C 2.660 178.600 175.800 0.233 0.000 1.090 390 F CA 1.418 59.630 58.000 0.354 0.000 1.293 390 F CB -0.269 38.894 39.000 0.271 0.000 1.013 390 F HN 0.526 nan 8.300 nan 0.000 0.486 391 K N 0.453 121.082 120.400 0.381 0.000 2.148 391 K HA -0.166 4.154 4.320 -0.001 0.000 0.204 391 K C 1.883 178.626 176.600 0.239 0.000 1.050 391 K CA 1.360 57.809 56.287 0.270 0.000 0.942 391 K CB -0.202 32.436 32.500 0.230 0.000 0.724 391 K HN 0.399 nan 8.250 nan 0.000 0.446 392 Q N -1.324 118.643 119.800 0.278 0.000 2.187 392 Q HA -0.082 4.257 4.340 -0.001 0.000 0.199 392 Q C 1.791 177.915 176.000 0.206 0.000 0.957 392 Q CA 0.938 56.908 55.803 0.279 0.000 0.857 392 Q CB -0.004 28.980 28.738 0.411 0.000 0.929 392 Q HN 0.167 nan 8.270 nan 0.000 0.453 393 F N 0.874 120.824 119.950 0.001 0.000 2.179 393 F HA 0.093 4.620 4.527 -0.001 0.000 0.292 393 F C 0.739 176.395 175.800 -0.241 0.000 1.089 393 F CA 0.246 58.126 58.000 -0.200 0.000 1.295 393 F CB 0.185 38.945 39.000 -0.400 0.000 1.041 393 F HN -0.134 nan 8.300 nan 0.000 0.487 394 L N 0.962 122.064 121.223 -0.201 0.000 2.483 394 L HA -0.083 4.257 4.340 -0.001 0.000 0.276 394 L C 0.474 177.004 176.870 -0.565 0.000 1.213 394 L CA 0.109 54.599 54.840 -0.584 0.000 0.843 394 L CB -0.424 41.081 42.059 -0.925 0.000 1.107 394 L HN 0.508 nan 8.230 nan 0.000 0.487 395 Y N -0.080 120.227 120.300 0.011 0.000 4.705 395 Y HA -0.296 4.253 4.550 -0.000 0.000 0.226 395 Y C 0.715 176.619 175.900 0.008 0.000 1.039 395 Y CA 0.373 58.507 58.100 0.056 0.000 1.968 395 Y CB -1.615 36.919 38.460 0.123 0.000 1.614 395 Y HN 0.685 nan 8.280 nan 0.000 0.619 396 N N 1.339 120.016 118.700 -0.037 0.000 3.012 396 N HA 0.193 4.933 4.740 -0.001 0.000 0.270 396 N C 0.150 175.574 175.510 -0.143 0.000 1.469 396 N CA -0.250 52.761 53.050 -0.065 0.000 0.928 396 N CB 0.048 38.488 38.487 -0.079 0.000 1.219 396 N HN 0.218 nan 8.380 nan 0.000 0.492 397 N N -0.191 118.477 118.700 -0.052 0.000 2.521 397 N HA -0.009 4.730 4.740 -0.001 0.000 0.188 397 N C 1.021 176.506 175.510 -0.042 0.000 1.146 397 N CA 0.263 53.296 53.050 -0.028 0.000 0.893 397 N CB 0.330 38.942 38.487 0.208 0.000 0.975 397 N HN 0.293 nan 8.380 nan 0.000 0.451 398 S N 0.904 116.569 115.700 -0.057 0.000 2.399 398 S HA 0.030 4.500 4.470 -0.001 0.000 0.231 398 S C 1.968 176.530 174.600 -0.063 0.000 1.022 398 S CA 0.449 58.611 58.200 -0.062 0.000 0.983 398 S CB 0.018 63.192 63.200 -0.043 0.000 0.803 398 S HN 0.340 nan 8.310 nan 0.000 0.480 399 I N 0.875 121.407 120.570 -0.064 0.000 2.226 399 I HA -0.182 3.988 4.170 -0.001 0.000 0.245 399 I C 2.300 178.520 176.117 0.173 0.000 1.100 399 I CA 0.775 62.101 61.300 0.043 0.000 1.374 399 I CB -0.324 37.616 38.000 -0.100 0.000 1.057 399 I HN 0.247 nan 8.210 nan 0.000 0.413 400 L N 0.828 121.988 121.223 -0.105 0.000 1.989 400 L HA -0.206 4.133 4.340 -0.001 0.000 0.211 400 L C 2.334 179.061 176.870 -0.237 0.000 1.071 400 L CA 1.921 56.480 54.840 -0.469 0.000 0.749 400 L CB -0.594 41.111 42.059 -0.590 0.000 0.890 400 L HN 0.134 nan 8.230 nan 0.000 0.431 401 L N -0.742 120.348 121.223 -0.222 0.000 2.046 401 L HA -0.207 4.133 4.340 -0.001 0.000 0.208 401 L C 2.540 179.360 176.870 -0.084 0.000 1.077 401 L CA 1.535 56.256 54.840 -0.199 0.000 0.747 401 L CB -0.745 41.184 42.059 -0.217 0.000 0.896 401 L HN 0.398 nan 8.230 nan 0.000 0.432 402 E N 0.073 120.221 120.200 -0.087 0.000 2.038 402 E HA -0.249 4.100 4.350 -0.001 0.000 0.195 402 E C 2.113 178.611 176.600 -0.170 0.000 1.000 402 E CA 1.773 58.079 56.400 -0.156 0.000 0.803 402 E CB -0.108 29.448 29.700 -0.241 0.000 0.750 402 E HN 0.476 nan 8.360 nan 0.000 0.448 403 H N -0.593 118.543 119.070 0.109 0.000 2.520 403 H HA 0.281 4.837 4.556 -0.001 0.000 0.279 403 H C 1.115 176.508 175.328 0.107 0.000 0.990 403 H CA 0.790 56.923 56.048 0.141 0.000 1.288 403 H CB 0.300 30.212 29.762 0.250 0.000 1.446 403 H HN 0.331 nan 8.280 nan 0.000 0.538 404 G N 0.967 109.863 108.800 0.160 0.000 2.781 404 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.683 404 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.683 404 G C 0.591 175.509 174.900 0.030 0.000 1.390 404 G CA -0.172 44.977 45.100 0.082 0.000 0.850 404 G HN 0.157 nan 8.290 nan 0.000 0.557 405 L N 0.629 121.816 121.223 -0.060 0.000 2.072 405 L HA -0.057 4.283 4.340 -0.001 0.000 0.205 405 L C 3.266 180.129 176.870 -0.011 0.000 1.079 405 L CA 2.871 57.649 54.840 -0.104 0.000 0.752 405 L CB -1.821 40.123 42.059 -0.192 0.000 0.906 405 L HN 0.860 nan 8.230 nan 0.000 0.436 406 T N -0.614 113.932 114.554 -0.014 0.000 2.665 406 T HA -0.292 4.058 4.350 -0.001 0.000 0.268 406 T C 1.822 176.539 174.700 0.028 0.000 1.035 406 T CA 1.868 63.966 62.100 -0.003 0.000 1.151 406 T CB -0.145 68.720 68.868 -0.004 0.000 0.862 406 T HN 0.182 nan 8.240 nan 0.000 0.438 407 Q N -0.006 119.835 119.800 0.068 0.000 2.119 407 Q HA 0.013 4.352 4.340 -0.001 0.000 0.201 407 Q C 1.835 177.828 176.000 -0.011 0.000 0.972 407 Q CA 1.326 57.159 55.803 0.051 0.000 0.847 407 Q CB -0.646 28.159 28.738 0.112 0.000 0.903 407 Q HN 0.480 nan 8.270 nan 0.000 0.433 408 F N -0.761 119.072 119.950 -0.193 0.000 2.095 408 F HA -0.205 4.322 4.527 -0.001 0.000 0.298 408 F C 2.190 177.829 175.800 -0.269 0.000 1.104 408 F CA 1.281 59.068 58.000 -0.354 0.000 1.232 408 F CB -0.684 38.162 39.000 -0.257 0.000 0.987 408 F HN -0.048 nan 8.300 nan 0.000 0.475 409 V N -0.184 119.761 119.914 0.052 0.000 2.261 409 V HA -0.293 3.826 4.120 -0.001 0.000 0.246 409 V C 2.176 178.288 176.094 0.029 0.000 1.047 409 V CA 2.140 64.463 62.300 0.039 0.000 1.015 409 V CB -0.692 31.124 31.823 -0.011 0.000 0.642 409 V HN 0.309 nan 8.190 nan 0.000 0.446 410 E N 0.150 120.352 120.200 0.002 0.000 2.085 410 E HA -0.203 4.147 4.350 -0.001 0.000 0.194 410 E C 2.407 179.006 176.600 -0.003 0.000 0.994 410 E CA 1.776 58.185 56.400 0.015 0.000 0.801 410 E CB -0.232 29.471 29.700 0.005 0.000 0.743 410 E HN 0.532 nan 8.360 nan 0.000 0.453 411 S N 0.200 115.839 115.700 -0.103 0.000 2.357 411 S HA -0.071 4.398 4.470 -0.001 0.000 0.221 411 S C 1.597 176.198 174.600 0.001 0.000 1.031 411 S CA 0.757 58.865 58.200 -0.153 0.000 0.982 411 S CB -0.168 62.794 63.200 -0.397 0.000 0.853 411 S HN 0.166 nan 8.310 nan 0.000 0.458 412 F N 2.243 122.191 119.950 -0.003 0.000 2.407 412 F HA 0.035 4.562 4.527 -0.001 0.000 0.299 412 F C 2.605 178.472 175.800 0.112 0.000 1.097 412 F CA 0.372 58.419 58.000 0.077 0.000 1.422 412 F CB -1.610 37.481 39.000 0.152 0.000 1.067 412 F HN 0.134 nan 8.300 nan 0.000 0.539 413 T N -0.357 114.354 114.554 0.261 0.000 2.833 413 T HA -0.147 4.203 4.350 -0.001 0.000 0.269 413 T C 2.153 176.950 174.700 0.163 0.000 1.054 413 T CA 1.179 63.389 62.100 0.184 0.000 1.135 413 T CB -0.090 68.856 68.868 0.129 0.000 0.869 413 T HN 0.229 nan 8.240 nan 0.000 0.466 414 R N 0.558 121.142 120.500 0.140 0.000 2.127 414 R HA 0.152 4.492 4.340 -0.001 0.000 0.217 414 R C 1.408 177.767 176.300 0.097 0.000 1.074 414 R CA 0.222 56.383 56.100 0.101 0.000 0.991 414 R CB 0.064 30.401 30.300 0.061 0.000 0.895 414 R HN 0.405 nan 8.270 nan 0.000 0.450 415 Q N 1.642 121.521 119.800 0.131 0.000 2.304 415 Q HA 0.168 4.507 4.340 -0.001 0.000 0.260 415 Q C -0.749 175.314 176.000 0.105 0.000 0.965 415 Q CA -0.126 55.739 55.803 0.103 0.000 0.898 415 Q CB 0.905 29.723 28.738 0.132 0.000 1.196 415 Q HN 0.122 nan 8.270 nan 0.000 0.402 416 I N 3.153 123.777 120.570 0.090 0.000 2.519 416 I HA 0.379 4.548 4.170 -0.001 0.000 0.287 416 I C -0.314 175.913 176.117 0.184 0.000 1.047 416 I CA -0.069 61.308 61.300 0.129 0.000 1.381 416 I CB 0.983 39.070 38.000 0.144 0.000 1.417 416 I HN 0.808 nan 8.210 nan 0.000 0.540 417 A N 5.205 128.124 122.820 0.165 0.000 2.272 417 A HA 0.679 4.999 4.320 -0.001 0.000 0.275 417 A C 0.317 178.040 177.584 0.232 0.000 1.096 417 A CA -0.047 52.106 52.037 0.193 0.000 0.822 417 A CB 0.232 19.315 19.000 0.139 0.000 1.088 417 A HN 0.864 nan 8.150 nan 0.000 0.495 418 G N -0.507 108.429 108.800 0.226 0.000 2.507 418 G HA2 0.473 4.433 3.960 -0.001 0.000 0.271 418 G HA3 0.473 4.433 3.960 -0.001 0.000 0.271 418 G C 0.126 174.931 174.900 -0.157 0.000 1.189 418 G CA -0.635 44.405 45.100 -0.101 0.000 0.859 418 G HN 0.865 nan 8.290 nan 0.000 0.542 419 R N 0.437 120.779 120.500 -0.264 0.000 2.490 419 R HA 0.264 4.604 4.340 -0.001 0.000 0.280 419 R C 0.843 177.049 176.300 -0.158 0.000 1.077 419 R CA -0.516 55.442 56.100 -0.236 0.000 1.065 419 R CB 0.994 31.149 30.300 -0.241 0.000 1.003 419 R HN 0.254 nan 8.270 nan 0.000 0.470 420 V N 3.352 123.164 119.914 -0.170 0.000 2.374 420 V HA 0.070 4.190 4.120 -0.001 0.000 0.241 420 V C 1.081 177.166 176.094 -0.015 0.000 1.034 420 V CA 1.483 63.752 62.300 -0.052 0.000 1.037 420 V CB -0.426 31.378 31.823 -0.033 0.000 0.682 420 V HN 0.908 nan 8.190 nan 0.000 0.463 421 A N -0.450 122.360 122.820 -0.018 0.000 2.267 421 A HA 0.512 4.832 4.320 -0.001 0.000 0.271 421 A C 1.610 179.156 177.584 -0.065 0.000 1.131 421 A CA 0.571 52.594 52.037 -0.023 0.000 0.818 421 A CB -0.457 18.545 19.000 0.003 0.000 1.118 421 A HN 1.417 nan 8.150 nan 0.000 0.501 422 G N -2.160 106.601 108.800 -0.065 0.000 2.199 422 G HA2 0.294 4.254 3.960 -0.001 0.000 0.254 422 G HA3 0.294 4.254 3.960 -0.001 0.000 0.254 422 G C 1.696 176.556 174.900 -0.067 0.000 0.982 422 G CA 0.737 45.794 45.100 -0.072 0.000 0.632 422 G HN 3.066 nan 8.290 nan 0.000 0.529 423 G N -0.737 108.025 108.800 -0.062 0.000 2.758 423 G HA2 0.248 4.207 3.960 -0.001 0.000 0.686 423 G HA3 0.248 4.207 3.960 -0.001 0.000 0.686 423 G C 0.260 175.133 174.900 -0.045 0.000 1.389 423 G CA 0.369 45.437 45.100 -0.053 0.000 0.845 423 G HN 1.697 nan 8.290 nan 0.000 0.572 424 R N -0.965 119.517 120.500 -0.030 0.000 3.264 424 R HA -0.213 4.126 4.340 -0.001 0.000 0.251 424 R C 0.462 176.753 176.300 -0.015 0.000 0.971 424 R CA 1.064 57.153 56.100 -0.017 0.000 0.658 424 R CB -1.295 28.991 30.300 -0.022 0.000 1.095 424 R HN 0.759 nan 8.270 nan 0.000 0.443 425 N N -0.822 117.878 118.700 -0.000 0.000 2.217 425 N HA 0.091 4.831 4.740 -0.001 0.000 0.239 425 N C -0.931 174.623 175.510 0.073 0.000 1.330 425 N CA -0.029 53.029 53.050 0.013 0.000 0.838 425 N CB 1.198 39.657 38.487 -0.047 0.000 1.287 425 N HN 0.056 nan 8.380 nan 0.000 0.498 426 V N 3.051 123.012 119.914 0.079 0.000 2.455 426 V HA 0.338 4.458 4.120 -0.001 0.000 0.273 426 V C -1.994 174.149 176.094 0.083 0.000 1.045 426 V CA -1.319 61.050 62.300 0.114 0.000 0.976 426 V CB 0.907 32.797 31.823 0.111 0.000 0.993 426 V HN 0.119 nan 8.190 nan 0.000 0.475 427 P HA 0.149 nan 4.420 nan 0.000 0.268 427 P C 0.985 178.246 177.300 -0.065 0.000 1.204 427 P CA 0.085 63.194 63.100 0.015 0.000 0.768 427 P CB 0.810 32.507 31.700 -0.006 0.000 0.842 428 I N 2.689 123.215 120.570 -0.073 0.000 2.361 428 I HA -0.278 3.891 4.170 -0.001 0.000 0.251 428 I C 2.048 178.076 176.117 -0.148 0.000 1.133 428 I CA 1.352 62.605 61.300 -0.078 0.000 1.413 428 I CB -0.237 37.737 38.000 -0.044 0.000 1.073 428 I HN 0.383 nan 8.210 nan 0.000 0.424 429 A N -0.652 121.992 122.820 -0.293 0.000 2.084 429 A HA -0.191 4.129 4.320 -0.001 0.000 0.221 429 A C 2.025 179.410 177.584 -0.333 0.000 1.161 429 A CA 1.783 53.556 52.037 -0.440 0.000 0.653 429 A CB -0.486 17.835 19.000 -1.132 0.000 0.802 429 A HN 0.331 nan 8.150 nan 0.000 0.457 430 V N 0.382 120.139 119.914 -0.261 0.000 3.070 430 V HA 0.014 4.133 4.120 -0.001 0.000 0.345 430 V C 1.811 177.839 176.094 -0.110 0.000 1.403 430 V CA 0.603 62.810 62.300 -0.154 0.000 1.155 430 V CB -0.088 31.662 31.823 -0.122 0.000 1.140 430 V HN 0.883 nan 8.190 nan 0.000 0.505 431 Q N 0.662 120.415 119.800 -0.078 0.000 2.181 431 Q HA -0.150 4.189 4.340 -0.001 0.000 0.205 431 Q C 1.947 177.930 176.000 -0.028 0.000 0.980 431 Q CA 2.106 57.887 55.803 -0.036 0.000 0.862 431 Q CB -0.437 28.286 28.738 -0.024 0.000 0.905 431 Q HN 0.541 nan 8.270 nan 0.000 0.429 432 A N 0.917 123.715 122.820 -0.037 0.000 2.019 432 A HA -0.052 4.268 4.320 -0.001 0.000 0.219 432 A C 2.239 179.798 177.584 -0.041 0.000 1.164 432 A CA 1.298 53.317 52.037 -0.029 0.000 0.644 432 A CB -0.425 18.562 19.000 -0.021 0.000 0.805 432 A HN 0.273 nan 8.150 nan 0.000 0.449 433 V N -0.576 119.295 119.914 -0.072 0.000 2.488 433 V HA -0.122 3.998 4.120 -0.001 0.000 0.246 433 V C 2.959 179.014 176.094 -0.065 0.000 1.046 433 V CA 1.557 63.799 62.300 -0.097 0.000 1.053 433 V CB -1.024 30.646 31.823 -0.255 0.000 0.679 433 V HN 0.573 nan 8.190 nan 0.000 0.458 434 A N -0.022 122.784 122.820 -0.023 0.000 1.898 434 A HA -0.225 4.095 4.320 -0.001 0.000 0.216 434 A C 2.340 179.977 177.584 0.087 0.000 1.181 434 A CA 2.071 54.176 52.037 0.114 0.000 0.620 434 A CB -0.430 18.666 19.000 0.162 0.000 0.819 434 A HN 0.476 nan 8.150 nan 0.000 0.442 435 K N -0.311 120.110 120.400 0.035 0.000 2.026 435 K HA -0.088 4.232 4.320 -0.001 0.000 0.208 435 K C 2.217 178.797 176.600 -0.033 0.000 1.048 435 K CA 1.147 57.445 56.287 0.019 0.000 0.929 435 K CB -0.352 32.152 32.500 0.007 0.000 0.713 435 K HN 0.354 nan 8.250 nan 0.000 0.439 436 A N 0.935 123.721 122.820 -0.057 0.000 1.903 436 A HA -0.222 4.098 4.320 -0.001 0.000 0.219 436 A C 2.185 179.665 177.584 -0.173 0.000 1.191 436 A CA 2.422 54.408 52.037 -0.084 0.000 0.638 436 A CB -0.888 18.078 19.000 -0.057 0.000 0.823 436 A HN 0.411 nan 8.150 nan 0.000 0.451 437 S N -0.078 115.442 115.700 -0.299 0.000 2.359 437 S HA -0.173 4.296 4.470 -0.001 0.000 0.224 437 S C 1.816 176.119 174.600 -0.494 0.000 1.035 437 S CA 1.621 59.437 58.200 -0.640 0.000 1.018 437 S CB -0.604 61.795 63.200 -1.336 0.000 0.876 437 S HN 0.550 nan 8.310 nan 0.000 0.448 438 I N 1.890 122.330 120.570 -0.218 0.000 2.099 438 I HA -0.226 3.944 4.170 -0.001 0.000 0.239 438 I C 2.128 178.193 176.117 -0.087 0.000 1.066 438 I CA 1.407 62.692 61.300 -0.024 0.000 1.324 438 I CB -0.563 37.497 38.000 0.099 0.000 1.037 438 I HN 0.192 nan 8.210 nan 0.000 0.401 439 D N 0.444 120.796 120.400 -0.081 0.000 2.144 439 D HA -0.178 4.462 4.640 -0.001 0.000 0.199 439 D C 2.263 178.505 176.300 -0.096 0.000 0.984 439 D CA 1.212 55.173 54.000 -0.065 0.000 0.834 439 D CB -0.236 40.538 40.800 -0.044 0.000 0.955 439 D HN 0.490 nan 8.370 nan 0.000 0.465 440 Q N 0.093 119.803 119.800 -0.151 0.000 2.245 440 Q HA 0.016 4.355 4.340 -0.001 0.000 0.201 440 Q C 2.208 178.041 176.000 -0.278 0.000 0.955 440 Q CA 0.486 56.191 55.803 -0.163 0.000 0.870 440 Q CB 0.149 28.797 28.738 -0.150 0.000 0.945 440 Q HN 0.076 nan 8.270 nan 0.000 0.461 441 S N 0.884 116.331 115.700 -0.421 0.000 2.368 441 S HA -0.124 4.346 4.470 -0.001 0.000 0.225 441 S C 1.821 176.214 174.600 -0.344 0.000 1.030 441 S CA 1.108 58.873 58.200 -0.725 0.000 0.999 441 S CB -0.053 62.754 63.200 -0.654 0.000 0.844 441 S HN 0.330 nan 8.310 nan 0.000 0.459 442 R N 0.960 121.372 120.500 -0.146 0.000 2.073 442 R HA 0.011 4.351 4.340 -0.001 0.000 0.229 442 R C 2.415 178.716 176.300 0.001 0.000 1.120 442 R CA 1.056 57.143 56.100 -0.023 0.000 0.967 442 R CB -0.277 30.023 30.300 -0.001 0.000 0.862 442 R HN 0.458 nan 8.270 nan 0.000 0.436 443 E N 0.866 121.052 120.200 -0.022 0.000 2.097 443 E HA -0.204 4.145 4.350 -0.001 0.000 0.196 443 E C 1.497 178.128 176.600 0.052 0.000 1.000 443 E CA 1.351 57.761 56.400 0.016 0.000 0.804 443 E CB 0.072 29.778 29.700 0.009 0.000 0.740 443 E HN 0.300 nan 8.360 nan 0.000 0.454 444 M N 0.238 119.861 119.600 0.038 0.000 2.563 444 M HA 0.037 4.517 4.480 -0.001 0.000 0.231 444 M C -0.378 176.046 176.300 0.206 0.000 1.136 444 M CA 0.176 55.549 55.300 0.120 0.000 1.026 444 M CB 0.555 33.239 32.600 0.140 0.000 1.597 444 M HN -0.175 nan 8.290 nan 0.000 0.495 445 K N 0.086 120.583 120.400 0.162 0.000 3.257 445 K HA -0.189 4.130 4.320 -0.001 0.000 0.270 445 K C -1.298 175.466 176.600 0.274 0.000 0.984 445 K CA 0.699 57.090 56.287 0.172 0.000 0.739 445 K CB -2.554 30.015 32.500 0.116 0.000 1.351 445 K HN 0.289 nan 8.250 nan 0.000 0.463 446 Y N 1.214 121.568 120.300 0.089 0.000 2.511 446 Y HA 0.031 4.581 4.550 -0.000 0.000 0.332 446 Y C 1.841 177.842 175.900 0.168 0.000 1.177 446 Y CA -0.231 57.969 58.100 0.166 0.000 1.422 446 Y CB 0.555 39.116 38.460 0.168 0.000 1.271 446 Y HN 0.177 nan 8.280 nan 0.000 0.550 447 Q N 1.136 121.084 119.800 0.247 0.000 2.584 447 Q HA 0.200 4.539 4.340 -0.001 0.000 0.218 447 Q C 0.460 176.601 176.000 0.235 0.000 1.079 447 Q CA -0.228 55.631 55.803 0.094 0.000 1.008 447 Q CB 0.467 29.095 28.738 -0.183 0.000 1.267 447 Q HN 0.803 nan 8.270 nan 0.000 0.586 448 S N -0.214 115.567 115.700 0.134 0.000 2.617 448 S HA 0.007 4.476 4.470 -0.001 0.000 0.259 448 S C 0.968 175.710 174.600 0.236 0.000 1.301 448 S CA -0.574 57.727 58.200 0.170 0.000 0.984 448 S CB 0.384 63.637 63.200 0.088 0.000 0.954 448 S HN 0.628 nan 8.310 nan 0.000 0.572 449 L N 1.219 122.550 121.223 0.180 0.000 1.989 449 L HA -0.101 4.239 4.340 -0.001 0.000 0.211 449 L C 1.996 178.956 176.870 0.149 0.000 1.071 449 L CA 2.045 56.993 54.840 0.179 0.000 0.749 449 L CB -1.479 40.640 42.059 0.100 0.000 0.890 449 L HN 0.727 nan 8.230 nan 0.000 0.431 450 N N -0.362 118.378 118.700 0.067 0.000 2.244 450 N HA -0.134 4.606 4.740 -0.001 0.000 0.183 450 N C 1.707 177.208 175.510 -0.015 0.000 1.016 450 N CA 1.015 54.071 53.050 0.009 0.000 0.866 450 N CB -0.195 38.277 38.487 -0.025 0.000 0.980 450 N HN 0.457 nan 8.380 nan 0.000 0.430 451 E N 0.217 120.398 120.200 -0.033 0.000 2.077 451 E HA -0.145 4.204 4.350 -0.001 0.000 0.193 451 E C 1.751 178.261 176.600 -0.150 0.000 0.989 451 E CA 0.905 57.228 56.400 -0.129 0.000 0.800 451 E CB -0.466 29.113 29.700 -0.202 0.000 0.746 451 E HN 0.474 nan 8.360 nan 0.000 0.452 452 Y N 1.069 121.391 120.300 0.038 0.000 2.224 452 Y HA -0.119 4.430 4.550 -0.001 0.000 0.289 452 Y C 2.592 178.574 175.900 0.137 0.000 1.146 452 Y CA 1.238 59.403 58.100 0.108 0.000 1.182 452 Y CB -0.179 38.338 38.460 0.095 0.000 0.983 452 Y HN -0.020 nan 8.280 nan 0.000 0.524 453 R N 0.117 120.724 120.500 0.178 0.000 2.073 453 R HA -0.170 4.170 4.340 -0.001 0.000 0.234 453 R C 2.157 178.484 176.300 0.046 0.000 1.134 453 R CA 1.726 57.873 56.100 0.079 0.000 0.952 453 R CB -0.255 30.014 30.300 -0.051 0.000 0.850 453 R HN 0.255 nan 8.270 nan 0.000 0.433 454 K N 0.036 120.427 120.400 -0.015 0.000 2.063 454 K HA -0.197 4.122 4.320 -0.001 0.000 0.208 454 K C 2.079 178.632 176.600 -0.078 0.000 1.048 454 K CA 1.413 57.661 56.287 -0.065 0.000 0.928 454 K CB -0.144 32.294 32.500 -0.103 0.000 0.713 454 K HN -0.095 nan 8.250 nan 0.000 0.442 455 R N 0.579 121.039 120.500 -0.067 0.000 2.170 455 R HA -0.106 4.234 4.340 -0.001 0.000 0.242 455 R C 0.491 176.581 176.300 -0.350 0.000 1.145 455 R CA 1.521 57.517 56.100 -0.174 0.000 0.984 455 R CB -0.297 29.930 30.300 -0.122 0.000 0.869 455 R HN 0.143 nan 8.270 nan 0.000 0.455 456 F N 0.277 120.179 119.950 -0.079 0.000 2.923 456 F HA 0.300 4.826 4.527 -0.001 0.000 0.314 456 F C 0.301 176.047 175.800 -0.090 0.000 1.196 456 F CA -0.155 57.781 58.000 -0.106 0.000 1.320 456 F CB 0.346 39.287 39.000 -0.099 0.000 0.953 456 F HN -0.103 nan 8.300 nan 0.000 0.505 457 S N 0.719 116.413 115.700 -0.011 0.000 3.698 457 S HA -0.193 4.277 4.470 -0.001 0.000 0.338 457 S C -0.166 174.439 174.600 0.008 0.000 1.089 457 S CA 0.328 58.526 58.200 -0.004 0.000 0.991 457 S CB -2.013 61.197 63.200 0.017 0.000 0.909 457 S HN 0.337 nan 8.310 nan 0.000 0.485 458 L N 0.148 121.366 121.223 -0.008 0.000 2.333 458 L HA 0.534 4.874 4.340 -0.001 0.000 0.269 458 L C 0.464 177.278 176.870 -0.094 0.000 1.010 458 L CA -0.873 53.938 54.840 -0.049 0.000 0.818 458 L CB 1.191 43.212 42.059 -0.064 0.000 1.306 458 L HN -0.001 nan 8.230 nan 0.000 0.430 459 K N 2.132 122.455 120.400 -0.128 0.000 2.339 459 K HA 0.277 4.596 4.320 -0.001 0.000 0.286 459 K C -2.327 174.138 176.600 -0.225 0.000 1.050 459 K CA -1.544 54.658 56.287 -0.142 0.000 0.956 459 K CB 0.928 33.358 32.500 -0.117 0.000 0.990 459 K HN 0.193 nan 8.250 nan 0.000 0.475 460 P HA -0.073 nan 4.420 nan 0.000 0.265 460 P C -0.954 176.240 177.300 -0.177 0.000 1.193 460 P CA 0.278 63.277 63.100 -0.169 0.000 0.765 460 P CB 0.202 31.846 31.700 -0.094 0.000 0.823 461 Y N 0.609 120.861 120.300 -0.080 0.000 2.610 461 Y HA 0.016 4.566 4.550 -0.001 0.000 0.332 461 Y C 2.108 177.933 175.900 -0.125 0.000 1.201 461 Y CA 0.483 58.521 58.100 -0.104 0.000 1.465 461 Y CB 0.218 38.595 38.460 -0.138 0.000 1.283 461 Y HN 0.400 nan 8.280 nan 0.000 0.563 462 T N -2.336 112.262 114.554 0.074 0.000 3.069 462 T HA 0.270 4.620 4.350 -0.001 0.000 0.252 462 T C 0.053 174.734 174.700 -0.033 0.000 1.053 462 T CA 0.267 62.366 62.100 -0.000 0.000 0.964 462 T CB -0.188 68.685 68.868 0.008 0.000 1.005 462 T HN 0.549 nan 8.240 nan 0.000 0.532 463 S N -1.067 114.593 115.700 -0.066 0.000 2.615 463 S HA 0.543 5.012 4.470 -0.001 0.000 0.268 463 S C -0.230 174.241 174.600 -0.215 0.000 1.146 463 S CA -0.946 57.188 58.200 -0.110 0.000 0.818 463 S CB -0.032 63.170 63.200 0.004 0.000 1.111 463 S HN -0.074 nan 8.310 nan 0.000 0.465 464 F N 1.165 121.081 119.950 -0.056 0.000 2.206 464 F HA 0.119 4.646 4.527 -0.001 0.000 0.298 464 F C 2.544 178.264 175.800 -0.133 0.000 1.090 464 F CA 1.398 59.334 58.000 -0.107 0.000 1.323 464 F CB -0.279 38.677 39.000 -0.073 0.000 1.028 464 F HN 0.680 nan 8.300 nan 0.000 0.492 465 E N 0.027 120.275 120.200 0.079 0.000 2.150 465 E HA -0.235 4.115 4.350 -0.001 0.000 0.193 465 E C 2.020 178.585 176.600 -0.058 0.000 0.985 465 E CA 1.017 57.422 56.400 0.007 0.000 0.814 465 E CB -0.247 29.466 29.700 0.022 0.000 0.752 465 E HN 0.520 nan 8.360 nan 0.000 0.466 466 E N 0.754 120.906 120.200 -0.080 0.000 2.106 466 E HA -0.185 4.164 4.350 -0.001 0.000 0.192 466 E C 2.136 178.512 176.600 -0.374 0.000 0.984 466 E CA 0.408 56.748 56.400 -0.100 0.000 0.806 466 E CB 0.096 29.817 29.700 0.034 0.000 0.750 466 E HN 0.103 nan 8.360 nan 0.000 0.458 467 L N 0.835 121.681 121.223 -0.629 0.000 1.994 467 L HA -0.153 4.187 4.340 -0.001 0.000 0.208 467 L C 2.551 179.132 176.870 -0.483 0.000 1.071 467 L CA 2.760 56.990 54.840 -1.017 0.000 0.745 467 L CB -1.042 40.606 42.059 -0.684 0.000 0.892 467 L HN 0.243 nan 8.230 nan 0.000 0.431 468 T N -3.659 110.747 114.554 -0.247 0.000 3.014 468 T HA 0.205 4.555 4.350 -0.001 0.000 0.263 468 T C 1.556 176.194 174.700 -0.102 0.000 1.078 468 T CA 0.545 62.562 62.100 -0.139 0.000 1.135 468 T CB -0.571 68.251 68.868 -0.077 0.000 0.895 468 T HN 0.814 nan 8.240 nan 0.000 0.480 469 G N 1.822 110.565 108.800 -0.094 0.000 2.160 469 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.251 469 G HA3 -0.130 3.829 3.960 -0.001 0.000 0.251 469 G C -0.153 174.725 174.900 -0.037 0.000 1.008 469 G CA 0.761 45.829 45.100 -0.053 0.000 0.724 469 G HN 1.063 nan 8.290 nan 0.000 0.514 470 E N -2.643 117.535 120.200 -0.036 0.000 2.368 470 E HA 0.779 5.129 4.350 -0.001 0.000 0.257 470 E C 0.676 177.265 176.600 -0.018 0.000 1.022 470 E CA -0.661 55.724 56.400 -0.026 0.000 0.886 470 E CB 0.040 29.722 29.700 -0.031 0.000 1.740 470 E HN 0.013 nan 8.360 nan 0.000 0.456 471 K N -0.665 119.726 120.400 -0.016 0.000 2.443 471 K HA 0.204 4.523 4.320 -0.001 0.000 0.200 471 K C 1.549 178.139 176.600 -0.017 0.000 1.278 471 K CA 0.114 56.394 56.287 -0.011 0.000 0.925 471 K CB 0.536 33.032 32.500 -0.008 0.000 1.225 471 K HN 0.494 nan 8.250 nan 0.000 0.514 472 E N 1.679 121.866 120.200 -0.021 0.000 2.015 472 E HA -0.076 4.274 4.350 -0.001 0.000 0.191 472 E C 2.040 178.621 176.600 -0.033 0.000 0.991 472 E CA 1.176 57.560 56.400 -0.025 0.000 0.802 472 E CB 0.096 29.782 29.700 -0.023 0.000 0.759 472 E HN 0.148 nan 8.360 nan 0.000 0.447 473 M N 0.234 119.814 119.600 -0.033 0.000 2.117 473 M HA -0.163 4.317 4.480 -0.001 0.000 0.262 473 M C 2.472 178.741 176.300 -0.050 0.000 1.065 473 M CA 1.428 56.705 55.300 -0.039 0.000 1.114 473 M CB -0.266 32.312 32.600 -0.036 0.000 1.361 473 M HN 0.159 nan 8.290 nan 0.000 0.408 474 A N 0.608 123.410 122.820 -0.030 0.000 1.917 474 A HA -0.177 4.143 4.320 -0.001 0.000 0.219 474 A C 2.364 179.892 177.584 -0.093 0.000 1.182 474 A CA 2.276 54.309 52.037 -0.006 0.000 0.633 474 A CB -1.017 18.009 19.000 0.043 0.000 0.819 474 A HN 0.534 nan 8.150 nan 0.000 0.448 475 A N -0.790 121.988 122.820 -0.070 0.000 1.930 475 A HA -0.094 4.226 4.320 -0.001 0.000 0.217 475 A C 1.943 179.454 177.584 -0.123 0.000 1.175 475 A CA 1.551 53.538 52.037 -0.084 0.000 0.627 475 A CB -0.361 18.612 19.000 -0.045 0.000 0.815 475 A HN 0.483 nan 8.150 nan 0.000 0.443 476 E N 0.262 120.398 120.200 -0.105 0.000 2.072 476 E HA -0.128 4.221 4.350 -0.001 0.000 0.191 476 E C 2.057 178.571 176.600 -0.144 0.000 0.985 476 E CA 0.915 57.257 56.400 -0.097 0.000 0.801 476 E CB -0.491 29.173 29.700 -0.060 0.000 0.750 476 E HN 0.668 nan 8.360 nan 0.000 0.452 477 L N 0.870 121.963 121.223 -0.216 0.000 2.046 477 L HA -0.177 4.163 4.340 -0.001 0.000 0.208 477 L C 2.700 179.138 176.870 -0.719 0.000 1.077 477 L CA 1.320 55.950 54.840 -0.351 0.000 0.747 477 L CB -0.385 41.431 42.059 -0.405 0.000 0.896 477 L HN 0.079 nan 8.230 nan 0.000 0.432 478 K N 0.354 120.249 120.400 -0.841 0.000 2.097 478 K HA -0.173 4.147 4.320 -0.001 0.000 0.206 478 K C 2.093 178.542 176.600 -0.252 0.000 1.049 478 K CA 1.277 57.163 56.287 -0.668 0.000 0.933 478 K CB -0.070 32.261 32.500 -0.282 0.000 0.717 478 K HN 0.271 nan 8.250 nan 0.000 0.442 479 A N 0.772 123.484 122.820 -0.180 0.000 1.969 479 A HA -0.055 4.265 4.320 -0.001 0.000 0.218 479 A C 1.978 179.507 177.584 -0.092 0.000 1.169 479 A CA 1.053 53.031 52.037 -0.098 0.000 0.635 479 A CB -0.322 18.631 19.000 -0.079 0.000 0.810 479 A HN 0.301 nan 8.150 nan 0.000 0.445 480 L N -3.035 118.120 121.223 -0.112 0.000 2.127 480 L HA -0.014 4.325 4.340 -0.001 0.000 0.203 480 L C 2.219 178.968 176.870 -0.203 0.000 1.080 480 L CA 1.013 55.760 54.840 -0.155 0.000 0.768 480 L CB -0.291 41.670 42.059 -0.162 0.000 0.924 480 L HN 0.437 nan 8.230 nan 0.000 0.444 481 Y N -1.329 118.918 120.300 -0.089 0.000 2.507 481 Y HA 0.046 4.596 4.550 -0.001 0.000 0.263 481 Y C 1.998 177.969 175.900 0.118 0.000 1.093 481 Y CA 0.431 58.564 58.100 0.055 0.000 1.285 481 Y CB 0.514 39.098 38.460 0.206 0.000 1.115 481 Y HN 0.079 nan 8.280 nan 0.000 0.533 482 S N -0.862 114.959 115.700 0.203 0.000 1.706 482 S HA -0.300 4.170 4.470 -0.001 0.000 0.229 482 S C 0.021 174.812 174.600 0.317 0.000 0.861 482 S CA 1.926 60.241 58.200 0.192 0.000 1.488 482 S CB -1.186 62.086 63.200 0.119 0.000 1.943 482 S HN 0.527 nan 8.310 nan 0.000 0.533 483 D N 0.153 120.763 120.400 0.350 0.000 2.391 483 D HA 0.590 5.230 4.640 -0.001 0.000 0.245 483 D C 0.620 177.030 176.300 0.182 0.000 1.069 483 D CA -0.539 53.608 54.000 0.245 0.000 0.831 483 D CB 1.182 42.065 40.800 0.138 0.000 1.204 483 D HN 0.071 nan 8.370 nan 0.000 0.503 484 I N 2.956 123.421 120.570 -0.175 0.000 2.315 484 I HA -0.223 3.947 4.170 -0.001 0.000 0.251 484 I C 1.199 177.166 176.117 -0.250 0.000 1.125 484 I CA 1.615 62.522 61.300 -0.655 0.000 1.392 484 I CB 0.006 37.612 38.000 -0.656 0.000 1.065 484 I HN 0.440 nan 8.210 nan 0.000 0.424 485 D N -0.414 119.932 120.400 -0.090 0.000 2.371 485 D HA -0.013 4.626 4.640 -0.001 0.000 0.221 485 D C 1.814 178.132 176.300 0.029 0.000 0.986 485 D CA 0.712 54.695 54.000 -0.028 0.000 0.899 485 D CB 0.312 41.104 40.800 -0.013 0.000 0.902 485 D HN 0.302 nan 8.370 nan 0.000 0.530 486 V N 0.664 120.629 119.914 0.085 0.000 3.578 486 V HA 0.088 4.208 4.120 -0.001 0.000 0.290 486 V C 0.603 176.826 176.094 0.214 0.000 1.376 486 V CA -0.190 62.214 62.300 0.173 0.000 1.083 486 V CB 0.114 32.079 31.823 0.236 0.000 0.911 486 V HN 0.065 nan 8.190 nan 0.000 0.433 487 M N 1.437 121.056 119.600 0.031 0.000 2.245 487 M HA 0.227 4.706 4.480 -0.001 0.000 0.344 487 M C 0.174 176.443 176.300 -0.052 0.000 1.170 487 M CA 0.355 55.525 55.300 -0.218 0.000 1.135 487 M CB 0.059 32.504 32.600 -0.258 0.000 1.574 487 M HN 0.260 nan 8.290 nan 0.000 0.452 488 E N 3.079 123.247 120.200 -0.053 0.000 2.277 488 E HA 0.146 4.496 4.350 -0.001 0.000 0.274 488 E C 0.525 177.179 176.600 0.091 0.000 1.022 488 E CA -0.564 55.905 56.400 0.116 0.000 0.853 488 E CB 1.126 30.947 29.700 0.202 0.000 1.086 488 E HN 0.775 nan 8.360 nan 0.000 0.397 489 L N 3.368 124.687 121.223 0.160 0.000 1.989 489 L HA -0.237 4.103 4.340 -0.001 0.000 0.211 489 L C 2.048 178.970 176.870 0.087 0.000 1.071 489 L CA 1.936 56.845 54.840 0.116 0.000 0.749 489 L CB -0.676 41.426 42.059 0.072 0.000 0.890 489 L HN 0.728 nan 8.230 nan 0.000 0.431 490 Y N 1.647 121.950 120.300 0.006 0.000 2.089 490 Y HA -0.093 4.457 4.550 -0.001 0.000 0.282 490 Y C -0.630 175.274 175.900 0.007 0.000 1.139 490 Y CA 1.923 60.009 58.100 -0.023 0.000 1.123 490 Y CB -2.008 36.399 38.460 -0.088 0.000 0.980 490 Y HN 0.281 nan 8.280 nan 0.000 0.493 491 P HA -0.148 nan 4.420 nan 0.000 0.218 491 P C 1.315 178.485 177.300 -0.216 0.000 1.149 491 P CA 2.211 65.111 63.100 -0.334 0.000 0.817 491 P CB -0.320 31.339 31.700 -0.069 0.000 0.785 492 A N 0.319 123.060 122.820 -0.131 0.000 1.933 492 A HA -0.126 4.194 4.320 -0.001 0.000 0.218 492 A C 2.411 179.943 177.584 -0.086 0.000 1.175 492 A CA 1.252 53.234 52.037 -0.091 0.000 0.628 492 A CB -1.583 17.396 19.000 -0.036 0.000 0.814 492 A HN 0.129 nan 8.150 nan 0.000 0.444 493 L N -0.822 120.344 121.223 -0.094 0.000 2.083 493 L HA -0.143 4.197 4.340 -0.001 0.000 0.209 493 L C 2.244 179.070 176.870 -0.074 0.000 1.083 493 L CA 0.972 55.774 54.840 -0.064 0.000 0.752 493 L CB -0.378 41.661 42.059 -0.033 0.000 0.899 493 L HN 0.375 nan 8.230 nan 0.000 0.433 494 L N -1.845 119.294 121.223 -0.141 0.000 2.446 494 L HA -0.016 4.324 4.340 -0.001 0.000 0.219 494 L C 2.032 178.848 176.870 -0.089 0.000 1.116 494 L CA 0.007 54.783 54.840 -0.106 0.000 0.844 494 L CB 0.122 42.081 42.059 -0.166 0.000 0.970 494 L HN 0.006 nan 8.230 nan 0.000 0.457 495 V N -0.635 119.218 119.914 -0.102 0.000 3.471 495 V HA -0.008 4.112 4.120 -0.001 0.000 0.258 495 V C 1.164 177.207 176.094 -0.086 0.000 1.192 495 V CA 0.132 62.382 62.300 -0.084 0.000 1.116 495 V CB 0.164 31.939 31.823 -0.081 0.000 0.792 495 V HN 0.331 nan 8.190 nan 0.000 0.459 496 E N 1.740 121.890 120.200 -0.083 0.000 2.442 496 E HA -0.072 4.278 4.350 -0.001 0.000 0.262 496 E C 0.446 177.001 176.600 -0.075 0.000 1.004 496 E CA -0.122 56.225 56.400 -0.088 0.000 0.928 496 E CB 0.356 30.037 29.700 -0.032 0.000 0.937 496 E HN 0.271 nan 8.360 nan 0.000 0.446 497 K N 5.332 125.678 120.400 -0.090 0.000 2.437 497 K HA 0.037 4.357 4.320 -0.001 0.000 0.277 497 K C -2.260 174.317 176.600 -0.039 0.000 1.073 497 K CA -1.153 55.096 56.287 -0.062 0.000 1.105 497 K CB 0.285 32.752 32.500 -0.054 0.000 0.881 497 K HN 0.250 nan 8.250 nan 0.000 0.475 498 P HA 0.128 nan 4.420 nan 0.000 0.272 498 P C -0.678 176.586 177.300 -0.061 0.000 1.230 498 P CA -0.441 62.625 63.100 -0.057 0.000 0.788 498 P CB 0.580 32.230 31.700 -0.083 0.000 0.949 499 R N 2.220 122.662 120.500 -0.097 0.000 2.827 499 R HA 0.190 4.530 4.340 -0.001 0.000 0.269 499 R C -1.961 174.315 176.300 -0.040 0.000 1.048 499 R CA -1.195 54.836 56.100 -0.115 0.000 1.173 499 R CB -1.584 28.517 30.300 -0.333 0.000 1.070 499 R HN 0.394 nan 8.270 nan 0.000 0.498 500 P HA 0.040 nan 4.420 nan 0.000 0.267 500 P C -0.996 176.303 177.300 -0.002 0.000 1.209 500 P CA 0.302 63.421 63.100 0.032 0.000 0.763 500 P CB 0.408 32.165 31.700 0.095 0.000 0.816 501 D N 0.167 120.545 120.400 -0.038 0.000 2.701 501 D HA -0.191 4.448 4.640 -0.001 0.000 0.235 501 D C 0.049 176.282 176.300 -0.111 0.000 1.155 501 D CA 1.532 55.489 54.000 -0.072 0.000 0.649 501 D CB -1.319 39.446 40.800 -0.058 0.000 1.050 501 D HN 0.457 nan 8.370 nan 0.000 0.425 502 A N -0.530 122.213 122.820 -0.128 0.000 2.384 502 A HA 0.730 5.050 4.320 -0.001 0.000 0.312 502 A C 1.082 178.499 177.584 -0.278 0.000 1.113 502 A CA -0.638 51.282 52.037 -0.195 0.000 0.779 502 A CB 1.267 20.189 19.000 -0.129 0.000 1.307 502 A HN 0.118 nan 8.150 nan 0.000 0.436 503 I N -0.628 119.665 120.570 -0.460 0.000 2.353 503 I HA 0.077 4.246 4.170 -0.001 0.000 0.248 503 I C -0.509 175.279 176.117 -0.548 0.000 1.119 503 I CA 0.967 61.876 61.300 -0.651 0.000 1.417 503 I CB -0.067 37.271 38.000 -1.103 0.000 1.078 503 I HN 0.498 nan 8.210 nan 0.000 0.421 504 F N -0.374 119.414 119.950 -0.270 0.000 2.579 504 F HA 0.593 5.120 4.527 -0.001 0.000 0.324 504 F C 0.836 176.527 175.800 -0.181 0.000 1.058 504 F CA -1.207 56.648 58.000 -0.242 0.000 0.944 504 F CB 0.647 39.491 39.000 -0.259 0.000 1.245 504 F HN -0.225 nan 8.300 nan 0.000 0.477 505 G N -0.273 108.579 108.800 0.086 0.000 2.543 505 G HA2 0.225 4.184 3.960 -0.001 0.000 0.290 505 G HA3 0.225 4.184 3.960 -0.001 0.000 0.290 505 G C 0.657 175.558 174.900 0.001 0.000 1.310 505 G CA -0.285 44.824 45.100 0.015 0.000 1.025 505 G HN 0.730 nan 8.290 nan 0.000 0.502 506 E N -1.186 119.016 120.200 0.003 0.000 2.051 506 E HA -0.158 4.191 4.350 -0.001 0.000 0.192 506 E C 2.367 178.958 176.600 -0.015 0.000 0.991 506 E CA 1.768 58.164 56.400 -0.007 0.000 0.799 506 E CB -0.187 29.521 29.700 0.013 0.000 0.748 506 E HN 0.453 nan 8.360 nan 0.000 0.449 507 T N 0.997 115.552 114.554 0.002 0.000 2.746 507 T HA -0.201 4.149 4.350 -0.001 0.000 0.267 507 T C 1.731 176.379 174.700 -0.086 0.000 1.039 507 T CA 1.569 63.653 62.100 -0.027 0.000 1.142 507 T CB -0.251 68.634 68.868 0.028 0.000 0.866 507 T HN 0.167 nan 8.240 nan 0.000 0.444 508 M N 1.258 120.793 119.600 -0.108 0.000 2.080 508 M HA -0.062 4.418 4.480 -0.001 0.000 0.260 508 M C 2.113 178.289 176.300 -0.206 0.000 1.068 508 M CA 1.446 56.614 55.300 -0.219 0.000 1.109 508 M CB -0.652 31.674 32.600 -0.457 0.000 1.342 508 M HN 0.064 nan 8.290 nan 0.000 0.405 509 V N 0.125 119.962 119.914 -0.129 0.000 2.427 509 V HA -0.192 3.928 4.120 -0.001 0.000 0.248 509 V C 2.319 178.392 176.094 -0.036 0.000 1.051 509 V CA 1.731 64.005 62.300 -0.043 0.000 1.048 509 V CB -0.834 31.009 31.823 0.033 0.000 0.666 509 V HN 0.446 nan 8.190 nan 0.000 0.456 510 E N -0.315 119.844 120.200 -0.068 0.000 2.250 510 E HA 0.057 4.406 4.350 -0.001 0.000 0.192 510 E C 2.154 178.602 176.600 -0.253 0.000 0.986 510 E CA 0.534 56.889 56.400 -0.075 0.000 0.849 510 E CB 0.137 29.822 29.700 -0.024 0.000 0.797 510 E HN 0.493 nan 8.360 nan 0.000 0.482 511 L N -0.390 120.589 121.223 -0.406 0.000 2.127 511 L HA 0.063 4.403 4.340 -0.001 0.000 0.203 511 L C 2.375 179.001 176.870 -0.406 0.000 1.080 511 L CA 1.213 55.569 54.840 -0.806 0.000 0.768 511 L CB -0.661 41.069 42.059 -0.548 0.000 0.924 511 L HN 0.133 nan 8.230 nan 0.000 0.444 512 G N -0.199 108.558 108.800 -0.071 0.000 2.403 512 G HA2 -0.127 3.832 3.960 -0.001 0.000 0.216 512 G HA3 -0.127 3.832 3.960 -0.001 0.000 0.216 512 G C 1.809 176.795 174.900 0.143 0.000 1.154 512 G CA 0.738 45.955 45.100 0.196 0.000 0.784 512 G HN 0.398 nan 8.290 nan 0.000 0.538 513 A N 1.827 124.680 122.820 0.054 0.000 1.865 513 A HA 0.005 4.325 4.320 -0.001 0.000 0.217 513 A C 0.798 178.389 177.584 0.010 0.000 1.191 513 A CA 2.155 54.238 52.037 0.076 0.000 0.623 513 A CB -1.251 17.794 19.000 0.075 0.000 0.826 513 A HN 0.377 nan 8.150 nan 0.000 0.444 514 P HA -0.127 nan 4.420 nan 0.000 0.214 514 P C 1.316 178.501 177.300 -0.193 0.000 1.162 514 P CA 1.125 64.136 63.100 -0.149 0.000 0.879 514 P CB -0.294 31.286 31.700 -0.200 0.000 0.786 515 F N -0.083 119.697 119.950 -0.284 0.000 2.095 515 F HA -0.213 4.314 4.527 -0.000 0.000 0.298 515 F C 2.832 178.215 175.800 -0.695 0.000 1.104 515 F CA 1.575 59.174 58.000 -0.669 0.000 1.232 515 F CB -0.988 37.146 39.000 -1.444 0.000 0.987 515 F HN -0.019 nan 8.300 nan 0.000 0.475 516 S N 0.618 116.168 115.700 -0.250 0.000 2.345 516 S HA -0.153 4.316 4.470 -0.001 0.000 0.220 516 S C 2.002 176.698 174.600 0.160 0.000 1.031 516 S CA 1.183 59.476 58.200 0.156 0.000 0.996 516 S CB -0.538 62.949 63.200 0.479 0.000 0.882 516 S HN 0.304 nan 8.310 nan 0.000 0.445 517 L N 0.960 122.265 121.223 0.137 0.000 2.093 517 L HA -0.031 4.308 4.340 -0.001 0.000 0.208 517 L C 2.927 179.897 176.870 0.166 0.000 1.085 517 L CA 1.080 56.012 54.840 0.153 0.000 0.755 517 L CB -0.483 41.656 42.059 0.134 0.000 0.904 517 L HN 0.233 nan 8.230 nan 0.000 0.435 518 K N 0.736 121.214 120.400 0.130 0.000 2.032 518 K HA -0.137 4.182 4.320 -0.001 0.000 0.209 518 K C 2.002 178.688 176.600 0.143 0.000 1.048 518 K CA 1.739 58.122 56.287 0.161 0.000 0.927 518 K CB -0.883 31.644 32.500 0.045 0.000 0.712 518 K HN 0.339 nan 8.250 nan 0.000 0.441 519 G N 0.536 109.369 108.800 0.055 0.000 2.443 519 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.219 519 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.219 519 G C 1.453 176.408 174.900 0.093 0.000 1.131 519 G CA 0.310 45.415 45.100 0.009 0.000 0.775 519 G HN 0.164 nan 8.290 nan 0.000 0.547 520 L N 0.214 121.533 121.223 0.160 0.000 2.049 520 L HA 0.201 4.541 4.340 -0.001 0.000 0.203 520 L C 2.812 179.813 176.870 0.219 0.000 1.074 520 L CA 1.190 56.143 54.840 0.187 0.000 0.749 520 L CB -0.639 41.527 42.059 0.179 0.000 0.907 520 L HN 0.139 nan 8.230 nan 0.000 0.439 521 M N -1.205 118.548 119.600 0.254 0.000 2.388 521 M HA 0.121 4.601 4.480 -0.001 0.000 0.265 521 M C 2.051 178.660 176.300 0.515 0.000 1.088 521 M CA 0.945 56.419 55.300 0.291 0.000 1.134 521 M CB -1.611 31.031 32.600 0.069 0.000 1.384 521 M HN 0.288 nan 8.290 nan 0.000 0.447 522 G N 1.012 110.110 108.800 0.498 0.000 2.625 522 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.214 522 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.214 522 G C 0.799 175.895 174.900 0.327 0.000 1.132 522 G CA -0.046 45.296 45.100 0.403 0.000 0.782 522 G HN 0.450 nan 8.290 nan 0.000 0.538 523 N N 0.969 119.840 118.700 0.284 0.000 2.492 523 N HA 0.051 4.791 4.740 -0.001 0.000 0.260 523 N C -1.129 174.483 175.510 0.171 0.000 1.215 523 N CA -1.223 51.942 53.050 0.192 0.000 0.923 523 N CB 1.974 40.572 38.487 0.185 0.000 1.092 523 N HN -0.068 nan 8.380 nan 0.000 0.448 524 P HA -0.123 nan 4.420 nan 0.000 0.220 524 P C 1.487 178.598 177.300 -0.314 0.000 1.148 524 P CA 1.073 64.048 63.100 -0.209 0.000 0.803 524 P CB -0.147 31.282 31.700 -0.452 0.000 0.782 525 I N -2.835 117.684 120.570 -0.084 0.000 2.567 525 I HA -0.140 4.029 4.170 -0.001 0.000 0.257 525 I C 1.690 178.123 176.117 0.527 0.000 1.184 525 I CA 1.453 62.931 61.300 0.296 0.000 1.451 525 I CB -1.418 36.932 38.000 0.584 0.000 1.089 525 I HN -0.163 nan 8.210 nan 0.000 0.441 526 C N 1.344 120.825 119.300 0.301 0.000 2.562 526 C HA 0.170 4.629 4.460 -0.001 0.000 0.266 526 C C 1.813 176.821 174.990 0.031 0.000 1.382 526 C CA 0.196 59.325 59.018 0.186 0.000 1.742 526 C CB -1.981 25.892 27.740 0.223 0.000 1.812 526 C HN 0.716 nan 8.230 nan 0.000 0.559 527 S N 1.826 117.401 115.700 -0.207 0.000 2.592 527 S HA 0.211 4.681 4.470 -0.001 0.000 0.271 527 S C -1.629 172.913 174.600 -0.097 0.000 1.326 527 S CA -0.613 57.198 58.200 -0.648 0.000 1.024 527 S CB 0.748 63.665 63.200 -0.471 0.000 0.921 527 S HN 0.062 nan 8.310 nan 0.000 0.527 528 P HA -0.105 nan 4.420 nan 0.000 0.216 528 P C 1.437 178.666 177.300 -0.119 0.000 1.150 528 P CA 1.152 63.983 63.100 -0.448 0.000 0.843 528 P CB 0.039 31.361 31.700 -0.630 0.000 0.787 529 Q N -2.365 117.408 119.800 -0.045 0.000 2.378 529 Q HA -0.053 4.287 4.340 -0.001 0.000 0.205 529 Q C 1.763 177.697 176.000 -0.109 0.000 0.954 529 Q CA 1.150 56.911 55.803 -0.069 0.000 0.901 529 Q CB -0.353 28.339 28.738 -0.076 0.000 0.981 529 Q HN 0.459 nan 8.270 nan 0.000 0.483 530 Y N -1.745 118.556 120.300 0.002 0.000 2.389 530 Y HA -0.015 4.534 4.550 -0.001 0.000 0.292 530 Y C 1.207 177.177 175.900 0.118 0.000 1.117 530 Y CA -0.014 58.099 58.100 0.022 0.000 1.195 530 Y CB 0.289 38.813 38.460 0.107 0.000 1.076 530 Y HN 0.178 nan 8.280 nan 0.000 0.548 531 W N 4.956 126.410 121.300 0.258 0.000 1.438 531 W HA 0.201 4.861 4.660 -0.001 0.000 0.455 531 W C -0.803 175.842 176.519 0.210 0.000 0.656 531 W CA 0.126 57.715 57.345 0.407 0.000 2.049 531 W CB -0.565 29.206 29.460 0.519 0.000 1.683 531 W HN 0.098 nan 8.180 nan 0.000 0.228 532 K N 1.800 122.047 120.400 -0.255 0.000 2.533 532 K HA 0.427 4.746 4.320 -0.001 0.000 0.272 532 K C -2.451 173.657 176.600 -0.821 0.000 0.985 532 K CA -1.724 54.230 56.287 -0.556 0.000 0.876 532 K CB 1.331 33.672 32.500 -0.265 0.000 1.452 532 K HN -0.314 nan 8.250 nan 0.000 0.439 533 P HA -0.257 nan 4.420 nan 0.000 0.216 533 P C 1.255 178.420 177.300 -0.225 0.000 1.150 533 P CA 1.800 64.557 63.100 -0.572 0.000 0.843 533 P CB 0.031 31.556 31.700 -0.291 0.000 0.787 534 S N -1.934 113.635 115.700 -0.218 0.000 2.423 534 S HA -0.132 4.338 4.470 -0.001 0.000 0.231 534 S C 1.860 176.345 174.600 -0.191 0.000 1.014 534 S CA 1.718 59.843 58.200 -0.124 0.000 0.965 534 S CB -1.997 61.136 63.200 -0.111 0.000 0.785 534 S HN 0.111 nan 8.310 nan 0.000 0.495 535 T N 1.644 115.947 114.554 -0.418 0.000 2.737 535 T HA -0.044 4.306 4.350 -0.001 0.000 0.269 535 T C 0.623 174.972 174.700 -0.584 0.000 1.040 535 T CA 1.456 63.157 62.100 -0.665 0.000 1.142 535 T CB -0.520 67.641 68.868 -1.178 0.000 0.861 535 T HN 0.644 nan 8.240 nan 0.000 0.456 536 F N 0.053 120.028 119.950 0.040 0.000 2.708 536 F HA 0.494 5.020 4.527 -0.001 0.000 0.300 536 F C 1.552 177.468 175.800 0.193 0.000 1.118 536 F CA -0.436 57.642 58.000 0.130 0.000 1.307 536 F CB 0.279 39.373 39.000 0.157 0.000 0.986 536 F HN 0.201 nan 8.300 nan 0.000 0.522 537 G N 0.273 109.273 108.800 0.332 0.000 2.132 537 G HA2 0.131 4.090 3.960 -0.001 0.000 0.234 537 G HA3 0.131 4.090 3.960 -0.001 0.000 0.234 537 G C 0.570 175.668 174.900 0.331 0.000 0.989 537 G CA -0.053 45.296 45.100 0.415 0.000 0.676 537 G HN 1.213 nan 8.290 nan 0.000 0.522 538 G N -1.178 107.747 108.800 0.209 0.000 2.549 538 G HA2 0.159 4.119 3.960 -0.001 0.000 0.404 538 G HA3 0.159 4.119 3.960 -0.001 0.000 0.404 538 G C 0.375 175.357 174.900 0.137 0.000 1.292 538 G CA 0.494 45.675 45.100 0.134 0.000 0.935 538 G HN 0.566 nan 8.290 nan 0.000 0.512 539 E N -0.611 119.652 120.200 0.104 0.000 2.268 539 E HA -0.022 4.327 4.350 -0.001 0.000 0.195 539 E C 2.762 179.451 176.600 0.148 0.000 0.995 539 E CA 1.275 57.765 56.400 0.149 0.000 0.836 539 E CB -0.082 29.680 29.700 0.103 0.000 0.763 539 E HN 0.391 nan 8.360 nan 0.000 0.491 540 V N 0.636 120.609 119.914 0.098 0.000 2.453 540 V HA -0.125 3.994 4.120 -0.001 0.000 0.247 540 V C 2.346 178.505 176.094 0.107 0.000 1.048 540 V CA 1.904 64.247 62.300 0.070 0.000 1.049 540 V CB -0.738 31.096 31.823 0.017 0.000 0.672 540 V HN 0.306 nan 8.190 nan 0.000 0.457 541 G N -1.148 107.750 108.800 0.164 0.000 2.403 541 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.216 541 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.216 541 G C 1.519 176.549 174.900 0.216 0.000 1.154 541 G CA 0.534 45.758 45.100 0.208 0.000 0.784 541 G HN 0.416 nan 8.290 nan 0.000 0.538 542 F N 1.535 121.506 119.950 0.035 0.000 2.134 542 F HA 0.077 4.603 4.527 -0.001 0.000 0.299 542 F C 2.474 178.220 175.800 -0.091 0.000 1.097 542 F CA 1.391 59.329 58.000 -0.103 0.000 1.264 542 F CB -0.181 38.783 39.000 -0.060 0.000 1.001 542 F HN 0.128 nan 8.300 nan 0.000 0.479 543 K N 0.354 120.779 120.400 0.043 0.000 2.209 543 K HA -0.150 4.170 4.320 -0.001 0.000 0.204 543 K C 2.140 178.727 176.600 -0.022 0.000 1.048 543 K CA 1.443 57.710 56.287 -0.033 0.000 0.940 543 K CB -0.272 32.239 32.500 0.018 0.000 0.729 543 K HN 0.331 nan 8.250 nan 0.000 0.451 544 I N 0.821 121.399 120.570 0.014 0.000 2.286 544 I HA -0.288 3.882 4.170 -0.001 0.000 0.248 544 I C 2.087 178.221 176.117 0.028 0.000 1.115 544 I CA 1.085 62.402 61.300 0.029 0.000 1.392 544 I CB -0.132 37.903 38.000 0.059 0.000 1.065 544 I HN 0.166 nan 8.210 nan 0.000 0.418 545 I N 0.595 121.159 120.570 -0.010 0.000 2.193 545 I HA -0.243 3.926 4.170 -0.001 0.000 0.240 545 I C 1.980 178.144 176.117 0.078 0.000 1.084 545 I CA 1.230 62.552 61.300 0.036 0.000 1.365 545 I CB -0.455 37.527 38.000 -0.029 0.000 1.064 545 I HN 0.246 nan 8.210 nan 0.000 0.410 546 N N 0.319 118.994 118.700 -0.041 0.000 2.512 546 N HA -0.093 4.646 4.740 -0.001 0.000 0.183 546 N C 1.526 177.049 175.510 0.021 0.000 1.073 546 N CA 1.638 54.682 53.050 -0.010 0.000 0.911 546 N CB -0.216 38.155 38.487 -0.195 0.000 0.964 546 N HN 0.472 nan 8.380 nan 0.000 0.447 547 T N -3.054 111.507 114.554 0.012 0.000 3.092 547 T HA 0.486 4.836 4.350 -0.001 0.000 0.258 547 T C 0.590 175.306 174.700 0.027 0.000 1.031 547 T CA -0.563 61.547 62.100 0.016 0.000 0.925 547 T CB 0.250 69.120 68.868 0.003 0.000 1.036 547 T HN 0.078 nan 8.240 nan 0.000 0.544 548 A N 1.766 124.616 122.820 0.051 0.000 2.371 548 A HA 0.719 5.039 4.320 -0.001 0.000 0.257 548 A C 0.533 178.139 177.584 0.036 0.000 1.089 548 A CA -0.233 51.835 52.037 0.051 0.000 0.794 548 A CB 0.322 19.378 19.000 0.093 0.000 1.029 548 A HN 1.028 nan 8.150 nan 0.000 0.488 549 S N 0.711 116.413 115.700 0.003 0.000 2.588 549 S HA 0.409 4.878 4.470 -0.001 0.000 0.269 549 S C 0.353 174.901 174.600 -0.086 0.000 1.157 549 S CA -0.100 58.078 58.200 -0.036 0.000 0.824 549 S CB 0.417 63.581 63.200 -0.059 0.000 1.126 549 S HN 1.132 nan 8.310 nan 0.000 0.464 550 I N 1.318 121.786 120.570 -0.169 0.000 2.286 550 I HA -0.075 4.095 4.170 -0.001 0.000 0.248 550 I C 2.456 178.419 176.117 -0.257 0.000 1.115 550 I CA 2.079 63.224 61.300 -0.258 0.000 1.392 550 I CB -0.624 36.994 38.000 -0.636 0.000 1.065 550 I HN 0.922 nan 8.210 nan 0.000 0.418 551 Q N 0.470 120.110 119.800 -0.267 0.000 2.079 551 Q HA -0.173 4.167 4.340 -0.001 0.000 0.200 551 Q C 2.420 178.322 176.000 -0.164 0.000 0.974 551 Q CA 2.477 58.132 55.803 -0.246 0.000 0.840 551 Q CB -0.554 28.041 28.738 -0.238 0.000 0.898 551 Q HN 0.676 nan 8.270 nan 0.000 0.430 552 S N -0.498 115.128 115.700 -0.123 0.000 2.383 552 S HA -0.126 4.343 4.470 -0.001 0.000 0.227 552 S C 1.892 176.423 174.600 -0.115 0.000 1.026 552 S CA 0.954 59.098 58.200 -0.093 0.000 0.981 552 S CB -0.611 62.553 63.200 -0.060 0.000 0.818 552 S HN 0.400 nan 8.310 nan 0.000 0.472 553 L N 0.860 121.997 121.223 -0.143 0.000 2.012 553 L HA 0.024 4.363 4.340 -0.001 0.000 0.210 553 L C 2.145 178.886 176.870 -0.215 0.000 1.073 553 L CA 1.656 56.367 54.840 -0.214 0.000 0.748 553 L CB -0.635 41.259 42.059 -0.274 0.000 0.891 553 L HN 0.270 nan 8.230 nan 0.000 0.431 554 I N -1.453 119.007 120.570 -0.184 0.000 2.406 554 I HA -0.223 3.947 4.170 -0.001 0.000 0.249 554 I C 2.673 178.707 176.117 -0.140 0.000 1.122 554 I CA 1.151 62.349 61.300 -0.170 0.000 1.431 554 I CB -0.886 37.016 38.000 -0.164 0.000 1.087 554 I HN 0.463 nan 8.210 nan 0.000 0.424 555 c N 1.100 119.626 118.600 -0.122 0.000 2.425 555 c HA -0.133 4.436 4.570 -0.001 0.000 0.277 555 c C 2.627 176.666 174.090 -0.085 0.000 1.280 555 c CA 1.102 57.378 56.329 -0.089 0.000 1.744 555 c CB -1.271 41.196 42.510 -0.071 0.000 1.989 555 c HN 0.512 nan 8.230 nan 0.000 0.491 556 N N 1.119 119.761 118.700 -0.096 0.000 2.409 556 N HA 0.008 4.748 4.740 -0.001 0.000 0.179 556 N C 1.018 176.465 175.510 -0.105 0.000 1.032 556 N CA 0.937 53.935 53.050 -0.088 0.000 0.898 556 N CB -0.404 38.035 38.487 -0.080 0.000 0.971 556 N HN 0.661 nan 8.380 nan 0.000 0.441 557 N N -0.352 118.268 118.700 -0.134 0.000 2.159 557 N HA 0.108 4.847 4.740 -0.001 0.000 0.217 557 N C -0.650 174.761 175.510 -0.165 0.000 1.223 557 N CA 0.125 53.081 53.050 -0.156 0.000 0.896 557 N CB 2.006 40.379 38.487 -0.190 0.000 1.064 557 N HN -0.095 nan 8.380 nan 0.000 0.518 558 V N 1.685 121.513 119.914 -0.143 0.000 2.448 558 V HA 0.226 4.345 4.120 -0.001 0.000 0.295 558 V C 0.326 176.361 176.094 -0.099 0.000 1.025 558 V CA -1.159 61.061 62.300 -0.134 0.000 0.859 558 V CB 2.471 34.218 31.823 -0.127 0.000 0.988 558 V HN -0.013 nan 8.190 nan 0.000 0.431 559 K N 2.930 123.274 120.400 -0.093 0.000 2.451 559 K HA 0.389 4.709 4.320 -0.001 0.000 0.280 559 K C 1.179 177.752 176.600 -0.046 0.000 1.020 559 K CA 1.262 57.509 56.287 -0.066 0.000 1.008 559 K CB 0.178 32.642 32.500 -0.060 0.000 0.917 559 K HN 1.133 nan 8.250 nan 0.000 0.478 560 G N 2.819 111.598 108.800 -0.036 0.000 2.213 560 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.236 560 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.236 560 G C 0.366 175.255 174.900 -0.019 0.000 0.991 560 G CA -0.210 44.877 45.100 -0.021 0.000 0.629 560 G HN 1.302 nan 8.290 nan 0.000 0.517 561 c N 1.302 119.883 118.600 -0.033 0.000 3.514 561 c HA -0.069 4.501 4.570 -0.001 0.000 0.286 561 c C -0.595 173.490 174.090 -0.009 0.000 1.302 561 c CA -0.014 56.295 56.329 -0.032 0.000 2.239 561 c CB -1.809 40.685 42.510 -0.025 0.000 1.429 561 c HN 0.776 nan 8.230 nan 0.000 0.565 562 P HA 0.258 nan 4.420 nan 0.000 0.275 562 P C -0.002 177.320 177.300 0.038 0.000 1.227 562 P CA -0.067 63.048 63.100 0.026 0.000 0.781 562 P CB 0.394 32.100 31.700 0.011 0.000 0.906 563 F N 2.459 122.386 119.950 -0.038 0.000 2.602 563 F HA 0.267 4.794 4.527 -0.001 0.000 0.367 563 F C 0.488 176.262 175.800 -0.044 0.000 1.126 563 F CA 1.375 59.350 58.000 -0.043 0.000 1.321 563 F CB 0.473 39.451 39.000 -0.036 0.000 1.094 563 F HN 0.352 nan 8.300 nan 0.000 0.594 564 T N 3.669 117.584 114.554 -1.064 0.000 2.792 564 T HA 0.584 4.934 4.350 -0.001 0.000 0.303 564 T C -1.372 172.719 174.700 -1.014 0.000 1.310 564 T CA -0.105 61.507 62.100 -0.815 0.000 1.007 564 T CB 1.300 69.954 68.868 -0.358 0.000 1.335 564 T HN 0.976 nan 8.240 nan 0.000 0.504 565 S N 0.355 115.706 115.700 -0.581 0.000 2.636 565 S HA 0.530 4.999 4.470 -0.001 0.000 0.266 565 S C -0.971 173.455 174.600 -0.290 0.000 1.147 565 S CA -0.597 57.317 58.200 -0.476 0.000 0.815 565 S CB 0.463 63.511 63.200 -0.254 0.000 1.119 565 S HN 0.643 nan 8.310 nan 0.000 0.470 566 F N 1.674 121.511 119.950 -0.187 0.000 2.727 566 F HA 0.288 4.815 4.527 -0.001 0.000 0.302 566 F C 0.950 176.449 175.800 -0.502 0.000 1.097 566 F CA -0.279 57.571 58.000 -0.250 0.000 1.330 566 F CB 0.266 39.083 39.000 -0.305 0.000 1.084 566 F HN 0.688 nan 8.300 nan 0.000 0.578 567 N N -1.608 116.973 118.700 -0.198 0.000 2.225 567 N HA 0.359 5.099 4.740 -0.001 0.000 0.298 567 N C -1.246 174.274 175.510 0.016 0.000 1.076 567 N CA -0.762 52.203 53.050 -0.140 0.000 0.792 567 N CB 1.840 40.259 38.487 -0.113 0.000 1.498 567 N HN -0.256 nan 8.380 nan 0.000 0.474 568 V N 3.276 123.214 119.914 0.040 0.000 2.475 568 V HA -0.083 4.037 4.120 -0.001 0.000 0.292 568 V C 1.065 177.197 176.094 0.064 0.000 1.003 568 V CA -0.090 62.249 62.300 0.066 0.000 1.120 568 V CB -0.412 31.445 31.823 0.056 0.000 0.937 568 V HN 0.799 nan 8.190 nan 0.000 0.476 569 Q N 0.000 119.853 119.800 0.088 0.000 2.315 569 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 569 Q CA 0.000 55.839 55.803 0.060 0.000 1.022 569 Q CB 0.000 28.751 28.738 0.022 0.000 1.108 569 Q HN 0.000 nan 8.270 nan 0.000 0.481