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 2hrt_1_F DATA FIRST_RESID 2 DATA SEQUENCE PNFFIDRPIF AWVIAIIIML AGGLAILKLP VAQYPTIAPP AVTISASYPG DATA SEQUENCE ADAKTVQDTV TQVIEQNMNG IDNLMYMSSN SDSTGTVQIT LTFESGTDAD DATA SEQUENCE IAQVQVQNKL QLAMPLLPQE VQQQGVSVEK SSSSFLMVVG VINTDGTMTQ DATA SEQUENCE EDISDYVAAN MKDAISRTSG VGDVQLFGSQ YAMRIWMNPN ELNKFQLTPV DATA SEQUENCE DVITAIKAQN AQVAAGQLGG TPPVKGQQLN ASIIAQTRLT STEEFGKILL DATA SEQUENCE KVNQDGSRVL LRDVAKIELG GENYDIIAEF NGQPASGLGI KLATGANALD DATA SEQUENCE TAAAIRAELA KMEPFFPSGL KIVYPYDTTP FVKISIHEVV KTLVEAIILV DATA SEQUENCE FLVMYLFLQN FRATLIPTIA VPVVLLGTFA VLAAFGFSIN TLTMFGMVLA DATA SEQUENCE IGLLVDDAIV VVENVERVMA EEGLPPKEAT RKSMGQIQGA LVGIAMVLSA DATA SEQUENCE VFVPMAFFGG STGAIYRQFS ITIVSAMALS VLVALILTPA LCATMLKPIA DATA SEQUENCE KGDHGEGKKG FFGWFNRMFE KSTHHYTDSV GGILRSTGRY LVLYLIIVVG DATA SEQUENCE MAYLFVRLPS SFLPDEDQGV FMTMVQLPAG ATQERTQKVL NEVTHYYLTK DATA SEQUENCE EKNNVESVFA VNGFGFAGRG QNTGIAFVSL KDWADRPGEE NKVEAITMRA DATA SEQUENCE TRAFSQIKDA MVFAFNLPAI VELGTATGFD FELIDQAGLG HEKLTQARNQ DATA SEQUENCE LLAEAAKHPD MLTSVRPNGL EDTPQFKIDI DQEKAQALGV SINDINTTLG DATA SEQUENCE AAWGGSYVND FIDRGRVKKV YVMSEAKYRM LPDDIGDWYV RAADGQMVPF DATA SEQUENCE SAFSSSRWEY GSPRLERYNG LPSMEILGQA APGKSTGEAM ELMEQLASKL DATA SEQUENCE PTGVGYDWTG MSYQERLSGN QAPSLYAISL IVVFLCLAAL YESWSIPFSV DATA SEQUENCE MLVVPLGVIG ALLAATFRGL TNDVYFQVGL LTTIGLSAKN AILIVEFAKD DATA SEQUENCE LMDKEGKGLI EATLDAVRMR LRPILMTSLA FILGVMPLVI STGAGSGAQN DATA SEQUENCE AVGTGVMGGM VTATVLAIFF VPVFFVVVRR RF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.384 177.300 0.139 0.000 1.155 2 P CA 0.000 63.150 63.100 0.084 0.000 0.800 2 P CB 0.000 31.713 31.700 0.022 0.000 0.726 3 N N -0.282 118.530 118.700 0.187 0.000 2.402 3 N HA 0.074 4.814 4.740 0.001 0.000 0.174 3 N C 1.216 176.728 175.510 0.002 0.000 1.027 3 N CA 0.698 53.780 53.050 0.054 0.000 0.891 3 N CB -0.410 38.046 38.487 -0.053 0.000 1.016 3 N HN 0.154 nan 8.380 nan 0.000 0.439 4 F N 0.412 120.392 119.950 0.051 0.000 2.456 4 F HA 0.117 4.644 4.527 0.000 0.000 0.298 4 F C 1.977 177.812 175.800 0.058 0.000 1.104 4 F CA 0.120 58.146 58.000 0.042 0.000 1.435 4 F CB -0.450 38.572 39.000 0.038 0.000 1.078 4 F HN -0.071 nan 8.300 nan 0.000 0.546 5 F N 1.177 121.197 119.950 0.116 0.000 2.128 5 F HA -0.046 4.482 4.527 0.001 0.000 0.295 5 F C 1.787 177.570 175.800 -0.030 0.000 1.100 5 F CA 1.418 59.428 58.000 0.018 0.000 1.260 5 F CB -0.243 38.732 39.000 -0.042 0.000 1.009 5 F HN -0.194 nan 8.300 nan 0.000 0.476 6 I N 0.611 121.218 120.570 0.063 0.000 3.764 6 I HA 0.003 4.173 4.170 0.001 0.000 0.312 6 I C -0.066 176.006 176.117 -0.076 0.000 1.340 6 I CA 0.397 61.670 61.300 -0.044 0.000 1.195 6 I CB -1.206 36.825 38.000 0.052 0.000 1.068 6 I HN 0.061 nan 8.210 nan 0.000 0.421 7 D N 1.911 122.250 120.400 -0.102 0.000 2.400 7 D HA 0.059 4.699 4.640 0.001 0.000 0.243 7 D C 0.521 176.769 176.300 -0.087 0.000 1.184 7 D CA 0.294 54.243 54.000 -0.084 0.000 0.853 7 D CB 0.022 40.777 40.800 -0.075 0.000 0.944 7 D HN 0.247 nan 8.370 nan 0.000 0.501 8 R N 0.875 121.300 120.500 -0.125 0.000 2.666 8 R HA 0.182 4.522 4.340 0.001 0.000 0.275 8 R C -1.590 174.739 176.300 0.048 0.000 1.266 8 R CA -1.217 54.840 56.100 -0.071 0.000 1.401 8 R CB 1.005 31.200 30.300 -0.175 0.000 1.145 8 R HN 0.048 nan 8.270 nan 0.000 0.581 9 P HA -0.144 nan 4.420 nan 0.000 0.222 9 P C 0.964 178.422 177.300 0.263 0.000 1.147 9 P CA 1.149 64.330 63.100 0.134 0.000 0.790 9 P CB 0.271 32.062 31.700 0.151 0.000 0.780 10 I N -2.040 118.673 120.570 0.237 0.000 2.439 10 I HA -0.165 4.006 4.170 0.001 0.000 0.251 10 I C 2.478 178.742 176.117 0.246 0.000 1.139 10 I CA 1.051 62.499 61.300 0.247 0.000 1.438 10 I CB -0.632 37.441 38.000 0.122 0.000 1.085 10 I HN -0.180 nan 8.210 nan 0.000 0.427 11 F N 1.546 121.558 119.950 0.103 0.000 2.146 11 F HA -0.239 4.288 4.527 0.001 0.000 0.298 11 F C 2.630 178.490 175.800 0.101 0.000 1.096 11 F CA 1.272 59.333 58.000 0.102 0.000 1.275 11 F CB -0.021 39.033 39.000 0.091 0.000 1.008 11 F HN 0.015 nan 8.300 nan 0.000 0.480 12 A N -0.220 122.795 122.820 0.324 0.000 1.883 12 A HA -0.281 4.039 4.320 0.001 0.000 0.217 12 A C 1.971 179.589 177.584 0.056 0.000 1.186 12 A CA 1.863 53.969 52.037 0.114 0.000 0.624 12 A CB -1.650 17.312 19.000 -0.062 0.000 0.822 12 A HN 0.658 nan 8.150 nan 0.000 0.444 13 W N -0.500 120.860 121.300 0.101 0.000 2.358 13 W HA -0.124 4.536 4.660 0.001 0.000 0.303 13 W C 2.352 178.903 176.519 0.052 0.000 1.208 13 W CA 1.245 58.627 57.345 0.062 0.000 1.274 13 W CB -0.368 29.115 29.460 0.038 0.000 1.138 13 W HN 0.146 nan 8.180 nan 0.000 0.515 14 V N 0.650 120.726 119.914 0.270 0.000 2.295 14 V HA -0.329 3.791 4.120 0.001 0.000 0.246 14 V C 1.946 178.120 176.094 0.133 0.000 1.049 14 V CA 1.836 64.213 62.300 0.128 0.000 1.024 14 V CB -0.839 30.956 31.823 -0.047 0.000 0.648 14 V HN 0.158 nan 8.190 nan 0.000 0.447 15 I N 0.352 121.036 120.570 0.190 0.000 2.163 15 I HA -0.300 3.870 4.170 0.001 0.000 0.243 15 I C 2.676 178.865 176.117 0.121 0.000 1.085 15 I CA 1.702 63.107 61.300 0.175 0.000 1.347 15 I CB -0.655 37.471 38.000 0.209 0.000 1.044 15 I HN 0.317 nan 8.210 nan 0.000 0.408 16 A N 1.025 123.909 122.820 0.107 0.000 1.877 16 A HA -0.177 4.143 4.320 0.001 0.000 0.216 16 A C 2.280 179.946 177.584 0.136 0.000 1.186 16 A CA 1.613 53.703 52.037 0.087 0.000 0.620 16 A CB -0.831 18.179 19.000 0.016 0.000 0.822 16 A HN 0.397 nan 8.150 nan 0.000 0.443 17 I N -0.370 120.309 120.570 0.182 0.000 2.252 17 I HA -0.239 3.931 4.170 0.001 0.000 0.245 17 I C 2.309 178.485 176.117 0.099 0.000 1.102 17 I CA 1.201 62.593 61.300 0.153 0.000 1.385 17 I CB -0.355 37.736 38.000 0.150 0.000 1.064 17 I HN 0.303 nan 8.210 nan 0.000 0.414 18 I N 0.747 121.369 120.570 0.088 0.000 2.127 18 I HA -0.317 3.853 4.170 0.001 0.000 0.241 18 I C 2.541 178.701 176.117 0.071 0.000 1.075 18 I CA 1.730 63.071 61.300 0.068 0.000 1.334 18 I CB -0.349 37.690 38.000 0.064 0.000 1.040 18 I HN 0.139 nan 8.210 nan 0.000 0.405 19 I N 0.210 120.827 120.570 0.079 0.000 2.118 19 I HA -0.382 3.788 4.170 0.001 0.000 0.241 19 I C 2.727 178.892 176.117 0.079 0.000 1.070 19 I CA 1.790 63.137 61.300 0.077 0.000 1.327 19 I CB -0.275 37.768 38.000 0.072 0.000 1.034 19 I HN 0.257 nan 8.210 nan 0.000 0.405 20 M N -0.207 119.442 119.600 0.083 0.000 2.080 20 M HA -0.275 4.205 4.480 0.001 0.000 0.260 20 M C 2.478 178.815 176.300 0.063 0.000 1.068 20 M CA 1.920 57.268 55.300 0.080 0.000 1.109 20 M CB -0.461 32.194 32.600 0.091 0.000 1.342 20 M HN 0.296 nan 8.290 nan 0.000 0.405 21 L N 0.229 121.486 121.223 0.057 0.000 2.079 21 L HA -0.188 4.152 4.340 0.001 0.000 0.210 21 L C 2.575 179.468 176.870 0.038 0.000 1.081 21 L CA 1.631 56.495 54.840 0.040 0.000 0.752 21 L CB -0.394 41.688 42.059 0.037 0.000 0.896 21 L HN 0.258 nan 8.230 nan 0.000 0.433 22 A N -0.409 122.442 122.820 0.051 0.000 1.933 22 A HA -0.132 4.188 4.320 0.001 0.000 0.218 22 A C 2.287 179.909 177.584 0.064 0.000 1.175 22 A CA 1.618 53.689 52.037 0.057 0.000 0.628 22 A CB -1.417 17.624 19.000 0.069 0.000 0.814 22 A HN 0.541 nan 8.150 nan 0.000 0.444 23 G N -0.748 108.097 108.800 0.075 0.000 2.394 23 G HA2 0.092 4.052 3.960 0.001 0.000 0.215 23 G HA3 0.092 4.052 3.960 0.001 0.000 0.215 23 G C 1.519 176.420 174.900 0.003 0.000 1.165 23 G CA 1.154 46.310 45.100 0.093 0.000 0.784 23 G HN 0.687 nan 8.290 nan 0.000 0.535 24 G N 0.899 109.689 108.800 -0.017 0.000 2.418 24 G HA2 -0.133 3.827 3.960 0.001 0.000 0.217 24 G HA3 -0.133 3.827 3.960 0.001 0.000 0.217 24 G C 1.703 176.566 174.900 -0.063 0.000 1.158 24 G CA 0.841 45.902 45.100 -0.065 0.000 0.771 24 G HN 0.322 nan 8.290 nan 0.000 0.545 25 L N 1.268 122.478 121.223 -0.023 0.000 2.083 25 L HA 0.075 4.415 4.340 0.001 0.000 0.209 25 L C 3.224 180.086 176.870 -0.013 0.000 1.083 25 L CA 1.601 56.433 54.840 -0.014 0.000 0.752 25 L CB -0.783 41.280 42.059 0.006 0.000 0.899 25 L HN 0.288 nan 8.230 nan 0.000 0.433 26 A N 0.422 123.242 122.820 0.001 0.000 1.845 26 A HA -0.217 4.103 4.320 0.001 0.000 0.215 26 A C 2.213 179.782 177.584 -0.026 0.000 1.195 26 A CA 1.965 54.019 52.037 0.028 0.000 0.616 26 A CB -1.000 18.062 19.000 0.104 0.000 0.832 26 A HN 0.486 nan 8.150 nan 0.000 0.443 27 I N -2.068 118.410 120.570 -0.153 0.000 2.315 27 I HA -0.201 3.969 4.170 0.001 0.000 0.251 27 I C 1.901 177.938 176.117 -0.133 0.000 1.125 27 I CA 1.418 62.566 61.300 -0.253 0.000 1.392 27 I CB -0.482 37.190 38.000 -0.546 0.000 1.065 27 I HN 0.225 nan 8.210 nan 0.000 0.424 28 L N 0.450 121.615 121.223 -0.098 0.000 2.191 28 L HA -0.068 4.273 4.340 0.001 0.000 0.212 28 L C 1.511 178.360 176.870 -0.035 0.000 1.103 28 L CA 1.901 56.704 54.840 -0.062 0.000 0.769 28 L CB -0.600 41.430 42.059 -0.048 0.000 0.908 28 L HN 0.475 nan 8.230 nan 0.000 0.438 29 K N -1.124 119.264 120.400 -0.020 0.000 2.619 29 K HA 0.202 4.523 4.320 0.001 0.000 0.201 29 K C -0.695 175.915 176.600 0.017 0.000 1.090 29 K CA -0.350 55.937 56.287 -0.000 0.000 1.063 29 K CB 0.891 33.394 32.500 0.005 0.000 0.810 29 K HN -0.059 nan 8.250 nan 0.000 0.506 30 L N 1.940 123.174 121.223 0.019 0.000 2.295 30 L HA 0.427 4.768 4.340 0.001 0.000 0.285 30 L C -2.443 174.454 176.870 0.045 0.000 1.035 30 L CA -2.324 52.547 54.840 0.053 0.000 0.806 30 L CB 0.708 42.822 42.059 0.091 0.000 1.214 30 L HN -0.071 nan 8.230 nan 0.000 0.426 31 P HA 0.139 nan 4.420 nan 0.000 0.266 31 P C -1.318 176.008 177.300 0.044 0.000 1.193 31 P CA -0.041 63.085 63.100 0.043 0.000 0.770 31 P CB 0.510 32.239 31.700 0.048 0.000 0.836 32 V N 1.570 121.500 119.914 0.026 0.000 2.588 32 V HA 0.837 4.957 4.120 0.001 0.000 0.304 32 V C 0.018 176.115 176.094 0.004 0.000 1.042 32 V CA -0.580 61.727 62.300 0.012 0.000 0.877 32 V CB 1.448 33.268 31.823 -0.005 0.000 0.996 32 V HN 0.800 nan 8.190 nan 0.000 0.425 33 A N 2.588 125.403 122.820 -0.009 0.000 2.588 33 A HA 0.650 4.970 4.320 0.001 0.000 0.290 33 A C 0.273 177.819 177.584 -0.062 0.000 1.136 33 A CA -0.326 51.707 52.037 -0.007 0.000 0.681 33 A CB 1.818 20.841 19.000 0.039 0.000 1.282 33 A HN 0.602 nan 8.150 nan 0.000 0.421 34 Q N -0.599 119.162 119.800 -0.066 0.000 1.946 34 Q HA 0.029 4.370 4.340 0.001 0.000 0.199 34 Q C -0.521 175.314 176.000 -0.274 0.000 0.979 34 Q CA 1.590 57.272 55.803 -0.202 0.000 0.834 34 Q CB -0.087 28.575 28.738 -0.127 0.000 0.899 34 Q HN 0.700 nan 8.270 nan 0.000 0.431 35 Y N 0.352 120.702 120.300 0.083 0.000 2.509 35 Y HA 0.384 4.934 4.550 0.001 0.000 0.341 35 Y C -1.736 174.208 175.900 0.074 0.000 1.038 35 Y CA -2.562 55.589 58.100 0.086 0.000 1.089 35 Y CB 1.282 39.819 38.460 0.129 0.000 1.241 35 Y HN 0.292 nan 8.280 nan 0.000 0.468 36 P HA 0.046 nan 4.420 nan 0.000 0.286 36 P C -0.610 176.782 177.300 0.154 0.000 1.293 36 P CA -0.416 62.779 63.100 0.159 0.000 0.770 36 P CB 0.337 32.120 31.700 0.139 0.000 1.206 37 T N 0.829 115.445 114.554 0.102 0.000 2.758 37 T HA 0.087 4.437 4.350 0.001 0.000 0.281 37 T C 1.177 175.932 174.700 0.092 0.000 0.963 37 T CA 0.608 62.762 62.100 0.090 0.000 1.201 37 T CB -0.666 68.236 68.868 0.057 0.000 0.906 37 T HN 0.270 nan 8.240 nan 0.000 0.528 38 I N 1.561 122.189 120.570 0.097 0.000 4.197 38 I HA 0.256 4.426 4.170 0.001 0.000 0.307 38 I C 1.418 177.583 176.117 0.079 0.000 1.236 38 I CA -0.099 61.247 61.300 0.076 0.000 1.321 38 I CB 0.221 38.238 38.000 0.028 0.000 1.309 38 I HN 0.568 nan 8.210 nan 0.000 0.450 39 A N 3.254 126.125 122.820 0.085 0.000 2.407 39 A HA 0.404 4.725 4.320 0.001 0.000 0.248 39 A C -2.291 175.340 177.584 0.079 0.000 1.082 39 A CA -0.936 51.151 52.037 0.084 0.000 0.785 39 A CB -0.590 18.460 19.000 0.084 0.000 1.020 39 A HN -0.007 nan 8.150 nan 0.000 0.489 40 P HA 0.238 nan 4.420 nan 0.000 0.271 40 P C -2.650 174.693 177.300 0.072 0.000 1.218 40 P CA -1.034 62.111 63.100 0.074 0.000 0.780 40 P CB -0.050 31.684 31.700 0.058 0.000 0.901 41 P HA 0.261 nan 4.420 nan 0.000 0.272 41 P C -0.928 176.472 177.300 0.167 0.000 1.223 41 P CA -0.102 63.044 63.100 0.077 0.000 0.784 41 P CB 0.632 32.333 31.700 0.000 0.000 0.923 42 A N 1.630 124.532 122.820 0.136 0.000 2.435 42 A HA 0.661 4.982 4.320 0.001 0.000 0.304 42 A C -1.111 176.572 177.584 0.164 0.000 1.064 42 A CA -0.660 51.478 52.037 0.168 0.000 0.727 42 A CB 1.549 20.594 19.000 0.074 0.000 1.284 42 A HN 0.304 nan 8.150 nan 0.000 0.415 43 V N 1.079 121.126 119.914 0.222 0.000 2.656 43 V HA 0.662 4.783 4.120 0.001 0.000 0.307 43 V C -0.291 175.867 176.094 0.107 0.000 1.051 43 V CA -0.343 62.053 62.300 0.160 0.000 0.893 43 V CB 2.173 34.123 31.823 0.212 0.000 0.999 43 V HN 0.942 nan 8.190 nan 0.000 0.426 44 T N 5.694 120.295 114.554 0.079 0.000 2.809 44 T HA 0.614 4.965 4.350 0.001 0.000 0.284 44 T C -0.317 174.419 174.700 0.060 0.000 0.992 44 T CA -0.172 61.967 62.100 0.066 0.000 0.957 44 T CB 0.951 69.860 68.868 0.068 0.000 0.942 44 T HN 0.384 nan 8.240 nan 0.000 0.439 45 I N 2.814 123.416 120.570 0.053 0.000 2.371 45 I HA 0.346 4.516 4.170 0.001 0.000 0.290 45 I C 0.347 176.495 176.117 0.053 0.000 1.028 45 I CA -0.149 61.179 61.300 0.048 0.000 1.345 45 I CB 1.044 39.068 38.000 0.040 0.000 1.407 45 I HN 0.491 nan 8.210 nan 0.000 0.501 46 S N 5.063 120.795 115.700 0.054 0.000 2.561 46 S HA 0.833 5.303 4.470 0.001 0.000 0.303 46 S C -0.424 174.210 174.600 0.056 0.000 1.110 46 S CA -0.659 57.577 58.200 0.061 0.000 1.034 46 S CB 1.875 65.116 63.200 0.068 0.000 1.010 46 S HN 0.743 nan 8.310 nan 0.000 0.482 47 A N 1.847 124.704 122.820 0.062 0.000 2.479 47 A HA 0.929 5.249 4.320 0.001 0.000 0.296 47 A C -0.644 176.988 177.584 0.080 0.000 1.121 47 A CA -0.841 51.231 52.037 0.060 0.000 0.743 47 A CB 1.925 20.954 19.000 0.049 0.000 1.323 47 A HN 0.637 nan 8.150 nan 0.000 0.415 48 S N -0.341 115.409 115.700 0.083 0.000 2.614 48 S HA 0.547 5.017 4.470 0.001 0.000 0.288 48 S C -1.718 172.976 174.600 0.156 0.000 1.137 48 S CA -0.251 58.020 58.200 0.118 0.000 0.992 48 S CB 0.712 63.975 63.200 0.105 0.000 1.026 48 S HN 0.716 nan 8.310 nan 0.000 0.486 49 Y N 5.802 126.133 120.300 0.052 0.000 2.919 49 Y HA 0.377 4.928 4.550 0.000 0.000 0.341 49 Y C -2.449 173.484 175.900 0.055 0.000 1.045 49 Y CA -2.870 55.259 58.100 0.048 0.000 1.218 49 Y CB 0.824 39.308 38.460 0.040 0.000 1.137 49 Y HN 0.481 nan 8.280 nan 0.000 0.577 50 P HA 0.022 nan 4.420 nan 0.000 0.258 50 P C 0.647 178.045 177.300 0.163 0.000 1.187 50 P CA 1.978 65.209 63.100 0.219 0.000 0.767 50 P CB 0.489 32.308 31.700 0.198 0.000 0.770 51 G N 2.258 111.107 108.800 0.082 0.000 2.195 51 G HA2 -0.152 3.808 3.960 0.001 0.000 0.246 51 G HA3 -0.152 3.808 3.960 0.001 0.000 0.246 51 G C 0.381 175.232 174.900 -0.082 0.000 0.984 51 G CA -0.060 45.054 45.100 0.023 0.000 0.633 51 G HN 0.844 nan 8.290 nan 0.000 0.525 52 A N 0.477 123.175 122.820 -0.203 0.000 2.340 52 A HA 0.633 4.953 4.320 0.001 0.000 0.268 52 A C 0.400 177.886 177.584 -0.163 0.000 1.100 52 A CA 0.545 52.372 52.037 -0.350 0.000 0.803 52 A CB 0.332 18.824 19.000 -0.846 0.000 1.043 52 A HN 1.018 nan 8.150 nan 0.000 0.488 53 D N 0.698 121.018 120.400 -0.132 0.000 2.411 53 D HA 0.484 5.124 4.640 0.001 0.000 0.251 53 D C 1.060 177.330 176.300 -0.050 0.000 1.201 53 D CA 0.055 54.018 54.000 -0.062 0.000 0.996 53 D CB 1.020 41.793 40.800 -0.045 0.000 1.101 53 D HN 0.417 nan 8.370 nan 0.000 0.504 54 A N 0.284 123.090 122.820 -0.023 0.000 1.902 54 A HA -0.185 4.135 4.320 0.001 0.000 0.217 54 A C 2.082 179.654 177.584 -0.020 0.000 1.181 54 A CA 1.178 53.208 52.037 -0.012 0.000 0.623 54 A CB -0.782 18.212 19.000 -0.011 0.000 0.818 54 A HN 0.534 nan 8.150 nan 0.000 0.443 55 K N -0.563 119.817 120.400 -0.034 0.000 2.026 55 K HA -0.105 4.216 4.320 0.001 0.000 0.208 55 K C 2.131 178.721 176.600 -0.017 0.000 1.048 55 K CA 1.905 58.174 56.287 -0.029 0.000 0.929 55 K CB -0.746 31.734 32.500 -0.033 0.000 0.713 55 K HN 0.486 nan 8.250 nan 0.000 0.439 56 T N 1.534 116.066 114.554 -0.035 0.000 2.652 56 T HA -0.146 4.204 4.350 0.001 0.000 0.267 56 T C 1.917 176.614 174.700 -0.006 0.000 1.039 56 T CA 2.116 64.189 62.100 -0.046 0.000 1.153 56 T CB -0.382 68.412 68.868 -0.124 0.000 0.863 56 T HN 0.220 nan 8.240 nan 0.000 0.428 57 V N 0.535 120.446 119.914 -0.004 0.000 2.515 57 V HA -0.181 3.939 4.120 0.001 0.000 0.250 57 V C 2.409 178.552 176.094 0.081 0.000 1.058 57 V CA 1.863 64.213 62.300 0.083 0.000 1.064 57 V CB -1.110 30.768 31.823 0.092 0.000 0.675 57 V HN 0.417 nan 8.190 nan 0.000 0.461 58 Q N 1.944 121.771 119.800 0.047 0.000 1.975 58 Q HA -0.287 4.053 4.340 0.001 0.000 0.205 58 Q C 1.932 177.959 176.000 0.046 0.000 0.990 58 Q CA 2.659 58.488 55.803 0.043 0.000 0.845 58 Q CB -0.235 28.520 28.738 0.028 0.000 0.913 58 Q HN 0.894 nan 8.270 nan 0.000 0.420 59 D N -1.477 118.948 120.400 0.041 0.000 2.347 59 D HA -0.054 4.587 4.640 0.001 0.000 0.213 59 D C 1.356 177.688 176.300 0.053 0.000 0.985 59 D CA 0.838 54.862 54.000 0.040 0.000 0.879 59 D CB -0.239 40.579 40.800 0.031 0.000 0.919 59 D HN 0.102 nan 8.370 nan 0.000 0.526 60 T N -0.939 113.661 114.554 0.077 0.000 3.031 60 T HA 0.112 4.462 4.350 0.001 0.000 0.254 60 T C 1.562 176.323 174.700 0.101 0.000 1.060 60 T CA 0.572 62.738 62.100 0.109 0.000 1.135 60 T CB 0.315 69.294 68.868 0.186 0.000 0.896 60 T HN 0.036 nan 8.240 nan 0.000 0.472 61 V N -0.204 119.771 119.914 0.101 0.000 3.134 61 V HA 0.053 4.173 4.120 0.001 0.000 0.222 61 V C 2.536 178.663 176.094 0.056 0.000 1.247 61 V CA 0.788 63.135 62.300 0.077 0.000 1.281 61 V CB -0.582 31.303 31.823 0.104 0.000 1.169 61 V HN 0.261 nan 8.190 nan 0.000 0.512 62 T N 0.030 114.620 114.554 0.060 0.000 2.652 62 T HA -0.319 4.031 4.350 0.001 0.000 0.267 62 T C 1.848 176.568 174.700 0.033 0.000 1.039 62 T CA 2.362 64.489 62.100 0.046 0.000 1.153 62 T CB -0.238 68.658 68.868 0.047 0.000 0.863 62 T HN 0.363 nan 8.240 nan 0.000 0.428 63 Q N 0.150 119.970 119.800 0.033 0.000 2.096 63 Q HA -0.113 4.227 4.340 0.001 0.000 0.204 63 Q C 2.450 178.462 176.000 0.019 0.000 0.982 63 Q CA 1.355 57.172 55.803 0.023 0.000 0.850 63 Q CB -0.334 28.419 28.738 0.025 0.000 0.901 63 Q HN 0.373 nan 8.270 nan 0.000 0.422 64 V N 0.569 120.496 119.914 0.023 0.000 2.287 64 V HA -0.306 3.814 4.120 0.001 0.000 0.248 64 V C 2.107 178.208 176.094 0.013 0.000 1.053 64 V CA 1.901 64.211 62.300 0.018 0.000 1.027 64 V CB -0.549 31.286 31.823 0.020 0.000 0.646 64 V HN 0.391 nan 8.190 nan 0.000 0.447 65 I N -0.330 120.249 120.570 0.015 0.000 2.202 65 I HA -0.210 3.961 4.170 0.001 0.000 0.242 65 I C 2.605 178.725 176.117 0.006 0.000 1.091 65 I CA 1.571 62.878 61.300 0.012 0.000 1.368 65 I CB -0.516 37.495 38.000 0.017 0.000 1.058 65 I HN 0.338 nan 8.210 nan 0.000 0.410 66 E N 0.592 120.794 120.200 0.004 0.000 2.097 66 E HA -0.304 4.046 4.350 0.001 0.000 0.196 66 E C 2.228 178.821 176.600 -0.011 0.000 1.000 66 E CA 1.354 57.750 56.400 -0.008 0.000 0.804 66 E CB -0.171 29.524 29.700 -0.008 0.000 0.740 66 E HN 0.577 nan 8.360 nan 0.000 0.454 67 Q N 0.278 120.076 119.800 -0.004 0.000 2.096 67 Q HA -0.177 4.163 4.340 0.001 0.000 0.204 67 Q C 1.407 177.404 176.000 -0.004 0.000 0.982 67 Q CA 1.616 57.417 55.803 -0.004 0.000 0.850 67 Q CB -0.198 28.541 28.738 0.001 0.000 0.901 67 Q HN 0.299 nan 8.270 nan 0.000 0.422 68 N N -0.599 118.100 118.700 -0.001 0.000 2.398 68 N HA -0.002 4.738 4.740 0.001 0.000 0.188 68 N C 0.566 176.076 175.510 0.000 0.000 1.122 68 N CA 0.021 53.072 53.050 0.001 0.000 0.866 68 N CB 0.243 38.733 38.487 0.004 0.000 0.970 68 N HN 0.045 nan 8.380 nan 0.000 0.462 69 M N 1.444 121.041 119.600 -0.006 0.000 2.654 69 M HA 0.101 4.581 4.480 0.001 0.000 0.217 69 M C -0.237 176.051 176.300 -0.020 0.000 1.183 69 M CA -0.500 54.793 55.300 -0.011 0.000 0.991 69 M CB -1.570 31.017 32.600 -0.022 0.000 1.749 69 M HN 0.194 nan 8.290 nan 0.000 0.475 70 N N -1.887 116.805 118.700 -0.012 0.000 2.482 70 N HA 0.561 5.301 4.740 0.001 0.000 0.279 70 N C 0.739 176.248 175.510 -0.001 0.000 1.182 70 N CA -0.070 52.971 53.050 -0.014 0.000 0.969 70 N CB 0.705 39.184 38.487 -0.012 0.000 1.201 70 N HN 0.133 nan 8.380 nan 0.000 0.523 71 G N -0.102 108.698 108.800 0.000 0.000 2.295 71 G HA2 -0.250 3.710 3.960 0.001 0.000 0.287 71 G HA3 -0.250 3.710 3.960 0.001 0.000 0.287 71 G C -0.366 174.550 174.900 0.025 0.000 1.055 71 G CA 0.194 45.300 45.100 0.011 0.000 0.922 71 G HN 0.559 nan 8.290 nan 0.000 0.503 72 I N 0.201 120.793 120.570 0.037 0.000 2.460 72 I HA 0.286 4.457 4.170 0.001 0.000 0.298 72 I C -0.152 176.028 176.117 0.104 0.000 0.989 72 I CA -1.046 60.303 61.300 0.081 0.000 1.173 72 I CB 1.218 39.292 38.000 0.124 0.000 1.338 72 I HN -0.055 nan 8.210 nan 0.000 0.456 73 D N 5.892 126.362 120.400 0.117 0.000 2.389 73 D HA 0.069 4.709 4.640 0.001 0.000 0.247 73 D C 0.333 176.758 176.300 0.208 0.000 1.128 73 D CA 0.477 54.543 54.000 0.111 0.000 0.884 73 D CB 0.419 41.256 40.800 0.061 0.000 1.194 73 D HN 0.462 nan 8.370 nan 0.000 0.441 74 N N 0.363 119.159 118.700 0.160 0.000 2.741 74 N HA -0.220 4.520 4.740 0.001 0.000 0.251 74 N C -0.250 175.392 175.510 0.219 0.000 1.112 74 N CA 0.173 53.343 53.050 0.201 0.000 0.750 74 N CB -1.443 37.170 38.487 0.211 0.000 1.119 74 N HN 0.365 nan 8.380 nan 0.000 0.561 75 L N 0.778 122.010 121.223 0.015 0.000 2.456 75 L HA 0.178 4.518 4.340 0.001 0.000 0.277 75 L C 1.621 178.322 176.870 -0.281 0.000 1.124 75 L CA 0.369 54.976 54.840 -0.389 0.000 0.880 75 L CB 0.305 42.145 42.059 -0.363 0.000 1.192 75 L HN 0.175 nan 8.230 nan 0.000 0.463 76 M N 4.604 123.975 119.600 -0.382 0.000 2.123 76 M HA 0.007 4.487 4.480 0.001 0.000 0.263 76 M C -0.521 175.649 176.300 -0.217 0.000 1.069 76 M CA 1.474 56.618 55.300 -0.260 0.000 1.133 76 M CB 0.115 32.494 32.600 -0.368 0.000 1.356 76 M HN 0.737 nan 8.290 nan 0.000 0.415 77 Y N -3.679 116.394 120.300 -0.377 0.000 2.750 77 Y HA 0.628 5.178 4.550 0.001 0.000 0.335 77 Y C -1.137 174.504 175.900 -0.433 0.000 1.252 77 Y CA -2.043 55.806 58.100 -0.419 0.000 1.064 77 Y CB 0.860 39.045 38.460 -0.458 0.000 1.321 77 Y HN -0.031 nan 8.280 nan 0.000 0.451 78 M N 2.735 122.184 119.600 -0.252 0.000 2.446 78 M HA 0.753 5.233 4.480 0.001 0.000 0.294 78 M C -1.701 174.491 176.300 -0.179 0.000 1.158 78 M CA -0.409 54.763 55.300 -0.215 0.000 0.899 78 M CB 2.310 34.784 32.600 -0.211 0.000 1.687 78 M HN 1.084 nan 8.290 nan 0.000 0.455 79 S N 2.024 117.717 115.700 -0.011 0.000 2.588 79 S HA 0.944 5.414 4.470 0.001 0.000 0.275 79 S C -0.982 173.657 174.600 0.064 0.000 1.130 79 S CA -0.412 57.839 58.200 0.085 0.000 0.855 79 S CB 1.980 65.344 63.200 0.273 0.000 1.116 79 S HN 0.922 nan 8.310 nan 0.000 0.472 80 S N 0.801 116.545 115.700 0.074 0.000 2.685 80 S HA 0.746 5.217 4.470 0.001 0.000 0.282 80 S C -1.342 173.300 174.600 0.069 0.000 1.159 80 S CA -0.985 57.251 58.200 0.061 0.000 0.833 80 S CB 1.019 64.244 63.200 0.042 0.000 1.151 80 S HN 0.863 nan 8.310 nan 0.000 0.485 81 N N -0.601 118.138 118.700 0.065 0.000 2.242 81 N HA 0.677 5.417 4.740 0.001 0.000 0.292 81 N C -1.866 173.680 175.510 0.061 0.000 1.125 81 N CA -0.696 52.394 53.050 0.065 0.000 0.783 81 N CB 2.379 40.909 38.487 0.071 0.000 1.558 81 N HN 0.581 nan 8.380 nan 0.000 0.472 82 S N 0.732 116.464 115.700 0.055 0.000 2.707 82 S HA 0.338 4.808 4.470 0.001 0.000 0.303 82 S C -1.408 173.219 174.600 0.044 0.000 1.132 82 S CA -0.729 57.501 58.200 0.050 0.000 1.046 82 S CB 1.081 64.306 63.200 0.040 0.000 1.004 82 S HN 0.435 nan 8.310 nan 0.000 0.483 83 D N 1.360 121.791 120.400 0.052 0.000 2.277 83 D HA 0.345 4.986 4.640 0.001 0.000 0.250 83 D C 1.325 177.648 176.300 0.039 0.000 1.032 83 D CA -0.304 53.727 54.000 0.051 0.000 0.947 83 D CB 1.327 42.167 40.800 0.066 0.000 1.159 83 D HN 0.432 nan 8.370 nan 0.000 0.460 84 S N -0.780 114.945 115.700 0.041 0.000 2.402 84 S HA -0.182 4.288 4.470 0.001 0.000 0.229 84 S C 1.753 176.379 174.600 0.043 0.000 1.021 84 S CA 1.512 59.734 58.200 0.037 0.000 0.974 84 S CB -0.729 62.501 63.200 0.049 0.000 0.800 84 S HN 0.620 nan 8.310 nan 0.000 0.484 85 T N -1.735 112.855 114.554 0.060 0.000 2.962 85 T HA 0.334 4.684 4.350 0.001 0.000 0.270 85 T C 1.692 176.437 174.700 0.074 0.000 1.088 85 T CA 0.952 63.095 62.100 0.072 0.000 1.127 85 T CB -0.768 68.151 68.868 0.085 0.000 0.883 85 T HN 1.278 nan 8.240 nan 0.000 0.493 86 G N 0.722 109.561 108.800 0.066 0.000 2.134 86 G HA2 -0.175 3.785 3.960 0.001 0.000 0.209 86 G HA3 -0.175 3.785 3.960 0.001 0.000 0.209 86 G C 0.039 175.012 174.900 0.122 0.000 0.993 86 G CA -0.083 45.067 45.100 0.084 0.000 0.669 86 G HN 0.734 nan 8.290 nan 0.000 0.519 87 T N 0.320 114.935 114.554 0.101 0.000 2.845 87 T HA 0.587 4.937 4.350 0.001 0.000 0.288 87 T C 0.098 174.854 174.700 0.092 0.000 0.980 87 T CA 0.176 62.336 62.100 0.101 0.000 1.071 87 T CB 2.624 71.550 68.868 0.097 0.000 0.941 87 T HN 1.166 nan 8.240 nan 0.000 0.487 88 V N 3.297 123.266 119.914 0.091 0.000 2.555 88 V HA 0.570 4.690 4.120 0.001 0.000 0.302 88 V C -1.282 174.856 176.094 0.075 0.000 1.038 88 V CA -0.589 61.759 62.300 0.079 0.000 0.887 88 V CB 1.841 33.710 31.823 0.077 0.000 0.991 88 V HN 0.917 nan 8.190 nan 0.000 0.434 89 Q N 6.052 125.895 119.800 0.071 0.000 2.337 89 Q HA 0.524 4.864 4.340 0.001 0.000 0.260 89 Q C -1.300 174.736 176.000 0.060 0.000 0.982 89 Q CA -0.329 55.516 55.803 0.070 0.000 0.734 89 Q CB 2.264 31.050 28.738 0.081 0.000 1.272 89 Q HN 0.787 nan 8.270 nan 0.000 0.461 90 I N 1.665 122.264 120.570 0.050 0.000 2.353 90 I HA 0.310 4.480 4.170 0.001 0.000 0.293 90 I C -0.017 176.119 176.117 0.032 0.000 0.992 90 I CA -0.083 61.238 61.300 0.035 0.000 1.268 90 I CB 1.772 39.785 38.000 0.022 0.000 1.387 90 I HN 0.342 nan 8.210 nan 0.000 0.478 91 T N 7.067 121.633 114.554 0.021 0.000 2.815 91 T HA 0.442 4.792 4.350 0.001 0.000 0.289 91 T C -0.454 174.207 174.700 -0.064 0.000 1.000 91 T CA -0.524 61.582 62.100 0.010 0.000 0.958 91 T CB 0.829 69.721 68.868 0.039 0.000 0.944 91 T HN 0.105 nan 8.240 nan 0.000 0.442 92 L N 4.384 125.553 121.223 -0.090 0.000 2.264 92 L HA 0.478 4.818 4.340 0.001 0.000 0.289 92 L C 0.658 177.286 176.870 -0.403 0.000 1.044 92 L CA -0.197 54.464 54.840 -0.299 0.000 0.807 92 L CB 0.502 42.411 42.059 -0.250 0.000 1.192 92 L HN 0.645 nan 8.230 nan 0.000 0.425 93 T N 3.446 117.588 114.554 -0.687 0.000 2.855 93 T HA 0.704 5.054 4.350 0.001 0.000 0.281 93 T C -0.197 174.014 174.700 -0.814 0.000 1.007 93 T CA -0.274 61.444 62.100 -0.637 0.000 1.009 93 T CB 1.432 69.740 68.868 -0.933 0.000 0.983 93 T HN 0.110 nan 8.240 nan 0.000 0.455 94 F N 0.332 120.113 119.950 -0.282 0.000 2.631 94 F HA 0.461 4.988 4.527 0.001 0.000 0.350 94 F C 0.877 176.605 175.800 -0.120 0.000 1.080 94 F CA -1.321 56.573 58.000 -0.177 0.000 1.026 94 F CB 0.814 39.753 39.000 -0.102 0.000 1.347 94 F HN 0.336 nan 8.300 nan 0.000 0.501 95 E N 0.249 120.557 120.200 0.180 0.000 2.383 95 E HA 0.058 4.408 4.350 0.001 0.000 0.264 95 E C -0.397 176.279 176.600 0.126 0.000 1.050 95 E CA -0.110 56.369 56.400 0.131 0.000 0.896 95 E CB 1.102 30.878 29.700 0.127 0.000 0.982 95 E HN 0.357 nan 8.360 nan 0.000 0.424 96 S N 0.463 116.236 115.700 0.122 0.000 2.546 96 S HA 0.265 4.735 4.470 0.001 0.000 0.290 96 S C 1.178 175.835 174.600 0.094 0.000 1.290 96 S CA 1.035 59.301 58.200 0.110 0.000 1.069 96 S CB 0.019 63.294 63.200 0.126 0.000 0.846 96 S HN 0.702 nan 8.310 nan 0.000 0.495 97 G N 3.384 112.228 108.800 0.073 0.000 2.258 97 G HA2 -0.247 3.714 3.960 0.001 0.000 0.233 97 G HA3 -0.247 3.714 3.960 0.001 0.000 0.233 97 G C 0.331 175.246 174.900 0.025 0.000 1.006 97 G CA 0.136 45.269 45.100 0.054 0.000 0.620 97 G HN 0.836 nan 8.290 nan 0.000 0.511 98 T N 1.818 116.387 114.554 0.024 0.000 2.939 98 T HA 0.312 4.663 4.350 0.001 0.000 0.312 98 T C 0.212 174.865 174.700 -0.079 0.000 1.064 98 T CA 1.067 63.149 62.100 -0.029 0.000 1.136 98 T CB 0.977 69.822 68.868 -0.038 0.000 1.035 98 T HN 0.408 nan 8.240 nan 0.000 0.538 99 D N 1.572 121.911 120.400 -0.102 0.000 2.344 99 D HA 0.314 4.954 4.640 0.001 0.000 0.253 99 D C 1.039 177.232 176.300 -0.178 0.000 1.255 99 D CA -0.395 53.541 54.000 -0.107 0.000 0.894 99 D CB 0.586 41.338 40.800 -0.080 0.000 1.067 99 D HN 0.506 nan 8.370 nan 0.000 0.492 100 A N 4.185 126.910 122.820 -0.159 0.000 1.978 100 A HA -0.195 4.125 4.320 0.001 0.000 0.220 100 A C 1.690 179.172 177.584 -0.169 0.000 1.170 100 A CA 1.286 53.205 52.037 -0.196 0.000 0.636 100 A CB -0.128 18.809 19.000 -0.106 0.000 0.810 100 A HN 0.559 nan 8.150 nan 0.000 0.448 101 D N -0.325 120.006 120.400 -0.114 0.000 2.224 101 D HA -0.057 4.583 4.640 0.001 0.000 0.205 101 D C 1.751 177.994 176.300 -0.095 0.000 0.965 101 D CA 0.583 54.532 54.000 -0.085 0.000 0.852 101 D CB -0.110 40.656 40.800 -0.055 0.000 0.947 101 D HN 0.343 nan 8.370 nan 0.000 0.494 102 I N 0.972 121.470 120.570 -0.119 0.000 2.286 102 I HA -0.093 4.078 4.170 0.001 0.000 0.245 102 I C 2.393 178.414 176.117 -0.159 0.000 1.104 102 I CA 0.529 61.761 61.300 -0.114 0.000 1.397 102 I CB -1.206 36.733 38.000 -0.101 0.000 1.072 102 I HN -0.120 nan 8.210 nan 0.000 0.417 103 A N 0.632 123.274 122.820 -0.296 0.000 1.908 103 A HA -0.298 4.022 4.320 0.001 0.000 0.218 103 A C 2.262 179.721 177.584 -0.207 0.000 1.181 103 A CA 2.171 53.934 52.037 -0.457 0.000 0.627 103 A CB -0.728 17.556 19.000 -1.193 0.000 0.818 103 A HN 0.478 nan 8.150 nan 0.000 0.445 104 Q N 0.315 120.021 119.800 -0.156 0.000 2.045 104 Q HA -0.162 4.179 4.340 0.001 0.000 0.206 104 Q C 1.788 177.769 176.000 -0.031 0.000 0.991 104 Q CA 2.824 58.592 55.803 -0.059 0.000 0.851 104 Q CB -1.014 27.694 28.738 -0.050 0.000 0.911 104 Q HN 0.301 nan 8.270 nan 0.000 0.418 105 V N 0.876 120.763 119.914 -0.044 0.000 2.295 105 V HA -0.292 3.829 4.120 0.001 0.000 0.246 105 V C 2.503 178.590 176.094 -0.012 0.000 1.049 105 V CA 2.338 64.623 62.300 -0.025 0.000 1.024 105 V CB -0.718 31.086 31.823 -0.030 0.000 0.648 105 V HN 0.501 nan 8.190 nan 0.000 0.447 106 Q N -0.748 119.042 119.800 -0.017 0.000 2.124 106 Q HA -0.155 4.185 4.340 0.001 0.000 0.202 106 Q C 2.346 178.367 176.000 0.036 0.000 0.977 106 Q CA 1.683 57.491 55.803 0.010 0.000 0.850 106 Q CB -0.268 28.478 28.738 0.014 0.000 0.901 106 Q HN 0.545 nan 8.270 nan 0.000 0.429 107 V N 1.558 121.503 119.914 0.052 0.000 2.307 107 V HA -0.292 3.828 4.120 0.001 0.000 0.245 107 V C 2.388 178.506 176.094 0.041 0.000 1.045 107 V CA 2.228 64.571 62.300 0.072 0.000 1.024 107 V CB -0.662 31.229 31.823 0.113 0.000 0.651 107 V HN 0.500 nan 8.190 nan 0.000 0.449 108 Q N -0.142 119.675 119.800 0.028 0.000 2.297 108 Q HA -0.158 4.182 4.340 0.001 0.000 0.204 108 Q C 1.769 177.777 176.000 0.014 0.000 0.962 108 Q CA 1.659 57.474 55.803 0.020 0.000 0.879 108 Q CB -0.356 28.391 28.738 0.014 0.000 0.947 108 Q HN 0.530 nan 8.270 nan 0.000 0.462 109 N N 0.751 119.459 118.700 0.013 0.000 2.188 109 N HA -0.075 4.665 4.740 0.001 0.000 0.184 109 N C 1.342 176.859 175.510 0.012 0.000 1.018 109 N CA 1.127 54.182 53.050 0.010 0.000 0.858 109 N CB 0.043 38.535 38.487 0.008 0.000 0.989 109 N HN 0.253 nan 8.380 nan 0.000 0.426 110 K N 0.975 121.385 120.400 0.017 0.000 2.167 110 K HA 0.043 4.364 4.320 0.001 0.000 0.203 110 K C 1.887 178.495 176.600 0.014 0.000 1.052 110 K CA -0.018 56.279 56.287 0.015 0.000 0.956 110 K CB -0.413 32.098 32.500 0.019 0.000 0.735 110 K HN 0.177 nan 8.250 nan 0.000 0.451 111 L N 1.377 122.610 121.223 0.017 0.000 2.017 111 L HA -0.193 4.148 4.340 0.001 0.000 0.208 111 L C 1.685 178.561 176.870 0.010 0.000 1.073 111 L CA 1.894 56.743 54.840 0.015 0.000 0.745 111 L CB -0.449 41.621 42.059 0.019 0.000 0.894 111 L HN 0.140 nan 8.230 nan 0.000 0.432 112 Q N -0.311 119.494 119.800 0.009 0.000 2.515 112 Q HA -0.020 4.320 4.340 0.001 0.000 0.212 112 Q C 1.809 177.811 176.000 0.003 0.000 0.970 112 Q CA 0.610 56.416 55.803 0.005 0.000 0.941 112 Q CB -0.100 28.640 28.738 0.005 0.000 0.998 112 Q HN 0.567 nan 8.270 nan 0.000 0.518 113 L N -1.739 119.487 121.223 0.005 0.000 2.513 113 L HA 0.221 4.561 4.340 0.001 0.000 0.222 113 L C 1.723 178.595 176.870 0.003 0.000 1.096 113 L CA 0.596 55.438 54.840 0.003 0.000 0.857 113 L CB 0.056 42.117 42.059 0.004 0.000 1.026 113 L HN 0.173 nan 8.230 nan 0.000 0.469 114 A N -0.842 121.980 122.820 0.004 0.000 2.044 114 A HA -0.022 4.298 4.320 0.001 0.000 0.213 114 A C 2.215 179.799 177.584 0.000 0.000 1.169 114 A CA 0.323 52.362 52.037 0.004 0.000 0.724 114 A CB -0.103 18.900 19.000 0.007 0.000 0.840 114 A HN 0.132 nan 8.150 nan 0.000 0.463 115 M N 0.026 119.626 119.600 -0.001 0.000 2.110 115 M HA -0.161 4.319 4.480 0.001 0.000 0.257 115 M C -0.377 175.916 176.300 -0.012 0.000 1.071 115 M CA 2.163 57.460 55.300 -0.006 0.000 1.096 115 M CB -2.317 30.280 32.600 -0.004 0.000 1.300 115 M HN 0.131 nan 8.290 nan 0.000 0.411 116 P HA -0.106 nan 4.420 nan 0.000 0.215 116 P C 1.630 178.922 177.300 -0.012 0.000 1.153 116 P CA 1.173 64.266 63.100 -0.011 0.000 0.853 116 P CB -0.216 31.480 31.700 -0.007 0.000 0.788 117 L N -2.142 119.076 121.223 -0.008 0.000 2.622 117 L HA -0.032 4.309 4.340 0.001 0.000 0.233 117 L C 1.051 177.916 176.870 -0.009 0.000 1.156 117 L CA 0.276 55.113 54.840 -0.005 0.000 0.866 117 L CB -0.749 41.310 42.059 0.001 0.000 0.980 117 L HN -0.038 nan 8.230 nan 0.000 0.448 118 L N -0.241 120.969 121.223 -0.020 0.000 2.399 118 L HA 0.315 4.655 4.340 0.001 0.000 0.266 118 L C -1.976 174.851 176.870 -0.071 0.000 1.114 118 L CA -2.190 52.627 54.840 -0.038 0.000 0.804 118 L CB 0.160 42.194 42.059 -0.041 0.000 1.146 118 L HN -0.244 nan 8.230 nan 0.000 0.451 119 P HA -0.062 nan 4.420 nan 0.000 0.264 119 P C 0.066 177.245 177.300 -0.202 0.000 1.183 119 P CA 0.168 63.154 63.100 -0.189 0.000 0.763 119 P CB 0.509 31.957 31.700 -0.419 0.000 0.807 120 Q N 1.840 121.559 119.800 -0.135 0.000 2.135 120 Q HA -0.265 4.075 4.340 0.001 0.000 0.204 120 Q C 1.247 177.174 176.000 -0.121 0.000 0.981 120 Q CA 1.767 57.511 55.803 -0.098 0.000 0.856 120 Q CB -0.026 28.678 28.738 -0.056 0.000 0.902 120 Q HN 0.435 nan 8.270 nan 0.000 0.425 121 E N -0.738 119.352 120.200 -0.183 0.000 2.110 121 E HA -0.166 4.184 4.350 0.001 0.000 0.193 121 E C 1.897 178.389 176.600 -0.179 0.000 0.988 121 E CA 1.478 57.780 56.400 -0.163 0.000 0.804 121 E CB -0.015 29.585 29.700 -0.167 0.000 0.745 121 E HN 0.177 nan 8.360 nan 0.000 0.458 122 V N 0.796 120.528 119.914 -0.303 0.000 2.453 122 V HA -0.235 3.886 4.120 0.001 0.000 0.247 122 V C 2.163 178.202 176.094 -0.092 0.000 1.048 122 V CA 1.613 63.798 62.300 -0.191 0.000 1.049 122 V CB -0.491 31.195 31.823 -0.227 0.000 0.672 122 V HN 0.254 nan 8.190 nan 0.000 0.457 123 Q N 0.430 120.173 119.800 -0.095 0.000 2.124 123 Q HA -0.245 4.095 4.340 0.001 0.000 0.202 123 Q C 2.171 178.153 176.000 -0.031 0.000 0.977 123 Q CA 1.786 57.558 55.803 -0.052 0.000 0.850 123 Q CB -0.101 28.606 28.738 -0.051 0.000 0.901 123 Q HN 0.854 nan 8.270 nan 0.000 0.429 124 Q N -0.796 118.985 119.800 -0.032 0.000 2.280 124 Q HA 0.011 4.352 4.340 0.001 0.000 0.201 124 Q C 1.167 177.172 176.000 0.009 0.000 0.890 124 Q CA 0.147 55.944 55.803 -0.010 0.000 0.947 124 Q CB 0.363 29.094 28.738 -0.012 0.000 1.081 124 Q HN 0.078 nan 8.270 nan 0.000 0.502 125 Q N 1.213 121.018 119.800 0.007 0.000 2.392 125 Q HA 0.221 4.561 4.340 0.001 0.000 0.203 125 Q C 0.086 176.104 176.000 0.031 0.000 0.917 125 Q CA 0.961 56.784 55.803 0.033 0.000 0.939 125 Q CB 0.597 29.359 28.738 0.040 0.000 1.063 125 Q HN 0.563 nan 8.270 nan 0.000 0.516 126 G N -0.682 108.128 108.800 0.017 0.000 2.767 126 G HA2 -0.149 3.811 3.960 0.001 0.000 0.686 126 G HA3 -0.149 3.811 3.960 0.001 0.000 0.686 126 G C -1.040 173.872 174.900 0.020 0.000 1.213 126 G CA -0.312 44.799 45.100 0.018 0.000 0.803 126 G HN 0.159 nan 8.290 nan 0.000 0.603 127 V N 2.382 122.306 119.914 0.018 0.000 2.376 127 V HA 0.667 4.787 4.120 0.001 0.000 0.287 127 V C 0.725 176.834 176.094 0.025 0.000 1.015 127 V CA -0.074 62.239 62.300 0.022 0.000 0.834 127 V CB 1.557 33.390 31.823 0.016 0.000 1.001 127 V HN 1.573 nan 8.190 nan 0.000 0.428 128 S N 4.548 120.267 115.700 0.032 0.000 2.513 128 S HA 0.711 5.182 4.470 0.001 0.000 0.276 128 S C -0.551 174.070 174.600 0.036 0.000 1.254 128 S CA -0.636 57.584 58.200 0.033 0.000 1.053 128 S CB 1.570 64.794 63.200 0.039 0.000 0.958 128 S HN 0.436 nan 8.310 nan 0.000 0.491 129 V N 3.312 123.245 119.914 0.032 0.000 2.376 129 V HA 0.569 4.689 4.120 0.001 0.000 0.287 129 V C -0.238 175.876 176.094 0.033 0.000 1.015 129 V CA -0.441 61.880 62.300 0.035 0.000 0.834 129 V CB 0.759 32.599 31.823 0.030 0.000 1.001 129 V HN 1.010 nan 8.190 nan 0.000 0.428 130 E N 2.540 122.765 120.200 0.041 0.000 2.383 130 E HA 0.476 4.826 4.350 0.001 0.000 0.275 130 E C -1.211 175.416 176.600 0.044 0.000 0.918 130 E CA -1.190 55.233 56.400 0.038 0.000 0.764 130 E CB 2.781 32.507 29.700 0.043 0.000 1.252 130 E HN 0.513 nan 8.360 nan 0.000 0.449 131 K N 1.083 121.503 120.400 0.034 0.000 2.412 131 K HA 0.198 4.518 4.320 0.001 0.000 0.281 131 K C -0.560 176.071 176.600 0.053 0.000 1.027 131 K CA 0.111 56.421 56.287 0.038 0.000 0.989 131 K CB 0.540 33.051 32.500 0.019 0.000 0.935 131 K HN 0.403 nan 8.250 nan 0.000 0.475 132 S N 0.678 116.416 115.700 0.063 0.000 2.521 132 S HA 0.406 4.876 4.470 0.001 0.000 0.295 132 S C 0.090 174.730 174.600 0.067 0.000 1.098 132 S CA -1.008 57.233 58.200 0.068 0.000 0.999 132 S CB 2.020 65.263 63.200 0.071 0.000 1.034 132 S HN 0.398 nan 8.310 nan 0.000 0.483 133 S N 1.755 117.496 115.700 0.070 0.000 2.240 133 S HA 0.438 4.908 4.470 0.001 0.000 0.154 133 S C 1.141 175.768 174.600 0.045 0.000 1.332 133 S CA 0.464 58.704 58.200 0.066 0.000 2.219 133 S CB -0.291 62.957 63.200 0.081 0.000 0.433 133 S HN 1.003 nan 8.310 nan 0.000 0.355 134 S N -1.465 114.245 115.700 0.016 0.000 2.455 134 S HA 0.036 4.506 4.470 0.001 0.000 0.110 134 S C -0.482 174.040 174.600 -0.130 0.000 0.603 134 S CA 0.414 58.594 58.200 -0.032 0.000 1.510 134 S CB -1.061 62.128 63.200 -0.018 0.000 0.940 134 S HN 0.735 nan 8.310 nan 0.000 0.267 135 S N 0.854 116.500 115.700 -0.091 0.000 2.634 135 S HA 0.824 5.295 4.470 0.001 0.000 0.296 135 S C -0.834 173.758 174.600 -0.014 0.000 1.104 135 S CA -0.705 57.423 58.200 -0.120 0.000 0.920 135 S CB 1.140 64.357 63.200 0.028 0.000 1.111 135 S HN 0.292 nan 8.310 nan 0.000 0.493 136 F N 1.510 121.681 119.950 0.370 0.000 2.410 136 F HA 0.342 4.869 4.527 0.001 0.000 0.348 136 F C 1.368 177.363 175.800 0.324 0.000 1.106 136 F CA -1.028 57.164 58.000 0.320 0.000 1.163 136 F CB 0.887 40.068 39.000 0.301 0.000 1.129 136 F HN 0.558 nan 8.300 nan 0.000 0.516 137 L N 4.495 125.972 121.223 0.423 0.000 1.961 137 L HA -0.054 4.286 4.340 0.001 0.000 0.210 137 L C 0.500 177.562 176.870 0.320 0.000 1.072 137 L CA 1.832 56.859 54.840 0.311 0.000 0.749 137 L CB -0.272 41.919 42.059 0.220 0.000 0.889 137 L HN 0.647 nan 8.230 nan 0.000 0.432 138 M N -2.526 117.245 119.600 0.284 0.000 2.667 138 M HA 0.567 5.048 4.480 0.001 0.000 0.286 138 M C -1.341 175.023 176.300 0.106 0.000 1.270 138 M CA -0.916 54.523 55.300 0.231 0.000 0.826 138 M CB 2.118 34.798 32.600 0.133 0.000 1.743 138 M HN -0.306 nan 8.290 nan 0.000 0.460 139 V N 2.172 122.066 119.914 -0.033 0.000 2.407 139 V HA 0.427 4.547 4.120 0.001 0.000 0.291 139 V C -0.464 175.431 176.094 -0.331 0.000 1.018 139 V CA -0.689 61.391 62.300 -0.367 0.000 0.842 139 V CB 1.708 32.986 31.823 -0.907 0.000 0.996 139 V HN 0.709 nan 8.190 nan 0.000 0.426 140 V N 4.338 124.091 119.914 -0.268 0.000 2.498 140 V HA 0.674 4.795 4.120 0.001 0.000 0.279 140 V C 0.875 176.742 176.094 -0.378 0.000 1.048 140 V CA 0.008 62.152 62.300 -0.260 0.000 0.967 140 V CB 1.525 33.269 31.823 -0.132 0.000 0.988 140 V HN 0.925 nan 8.190 nan 0.000 0.473 141 G N 3.358 111.887 108.800 -0.452 0.000 2.416 141 G HA2 0.630 4.590 3.960 0.001 0.000 0.329 141 G HA3 0.630 4.590 3.960 0.001 0.000 0.329 141 G C -1.254 173.463 174.900 -0.306 0.000 1.173 141 G CA -0.458 44.432 45.100 -0.350 0.000 0.929 141 G HN 0.564 nan 8.290 nan 0.000 0.475 142 V N 2.963 122.779 119.914 -0.162 0.000 2.483 142 V HA 0.553 4.673 4.120 0.001 0.000 0.297 142 V C 0.077 176.085 176.094 -0.144 0.000 1.027 142 V CA -0.584 61.605 62.300 -0.185 0.000 0.855 142 V CB 0.914 32.636 31.823 -0.169 0.000 0.995 142 V HN 0.814 nan 8.190 nan 0.000 0.424 143 I N 1.044 121.512 120.570 -0.171 0.000 2.957 143 I HA 0.699 4.869 4.170 0.001 0.000 0.310 143 I C -0.536 175.514 176.117 -0.110 0.000 1.063 143 I CA -0.748 60.489 61.300 -0.105 0.000 1.033 143 I CB 2.372 40.338 38.000 -0.055 0.000 1.230 143 I HN 0.495 nan 8.210 nan 0.000 0.447 144 N N 1.726 120.382 118.700 -0.074 0.000 2.479 144 N HA 0.259 5.000 4.740 0.001 0.000 0.261 144 N C 0.275 175.767 175.510 -0.030 0.000 0.979 144 N CA -0.113 52.893 53.050 -0.072 0.000 0.930 144 N CB 1.886 40.324 38.487 -0.082 0.000 1.172 144 N HN 0.932 nan 8.380 nan 0.000 0.499 145 T N 0.431 114.972 114.554 -0.022 0.000 2.781 145 T HA -0.081 4.269 4.350 0.001 0.000 0.252 145 T C 1.081 175.782 174.700 0.001 0.000 1.039 145 T CA 0.778 62.879 62.100 0.001 0.000 1.147 145 T CB -0.300 68.574 68.868 0.009 0.000 0.865 145 T HN 0.606 nan 8.240 nan 0.000 0.423 146 D N 2.264 122.661 120.400 -0.004 0.000 2.124 146 D HA 0.184 4.824 4.640 0.001 0.000 0.286 146 D C 1.313 177.611 176.300 -0.003 0.000 1.130 146 D CA 0.056 54.056 54.000 -0.001 0.000 1.031 146 D CB -1.104 39.696 40.800 -0.000 0.000 1.148 146 D HN 0.396 nan 8.370 nan 0.000 0.489 147 G N -0.051 108.748 108.800 -0.002 0.000 2.317 147 G HA2 0.128 4.088 3.960 0.001 0.000 0.286 147 G HA3 0.128 4.088 3.960 0.001 0.000 0.286 147 G C 0.043 174.941 174.900 -0.004 0.000 0.839 147 G CA 0.339 45.439 45.100 0.000 0.000 1.389 147 G HN 0.494 nan 8.290 nan 0.000 0.344 148 T N 4.360 118.913 114.554 -0.001 0.000 2.784 148 T HA 0.320 4.670 4.350 0.001 0.000 0.291 148 T C 0.995 175.696 174.700 0.001 0.000 0.942 148 T CA -0.135 61.963 62.100 -0.003 0.000 1.161 148 T CB 0.522 69.391 68.868 0.002 0.000 0.885 148 T HN 0.614 nan 8.240 nan 0.000 0.534 149 M N 2.097 121.692 119.600 -0.009 0.000 2.288 149 M HA 0.461 4.941 4.480 0.001 0.000 0.334 149 M C 0.708 177.010 176.300 0.004 0.000 1.150 149 M CA -0.919 54.383 55.300 0.004 0.000 1.118 149 M CB 0.524 33.117 32.600 -0.011 0.000 1.501 149 M HN 0.595 nan 8.290 nan 0.000 0.462 150 T N -0.568 114.004 114.554 0.030 0.000 3.051 150 T HA 0.109 4.459 4.350 0.001 0.000 0.356 150 T C 0.939 175.647 174.700 0.013 0.000 1.204 150 T CA 0.141 62.260 62.100 0.032 0.000 0.990 150 T CB 0.376 69.284 68.868 0.066 0.000 1.628 150 T HN 0.821 nan 8.240 nan 0.000 0.550 151 Q N 0.483 120.298 119.800 0.024 0.000 1.990 151 Q HA -0.082 4.258 4.340 0.001 0.000 0.200 151 Q C 2.267 178.256 176.000 -0.019 0.000 0.980 151 Q CA 2.022 57.828 55.803 0.006 0.000 0.832 151 Q CB -0.461 28.293 28.738 0.027 0.000 0.897 151 Q HN 0.810 nan 8.270 nan 0.000 0.427 152 E N 0.283 120.490 120.200 0.012 0.000 2.106 152 E HA -0.142 4.208 4.350 0.001 0.000 0.192 152 E C 1.657 178.125 176.600 -0.220 0.000 0.984 152 E CA 1.093 57.463 56.400 -0.050 0.000 0.806 152 E CB -0.121 29.667 29.700 0.147 0.000 0.750 152 E HN 0.335 nan 8.360 nan 0.000 0.458 153 D N 0.585 120.940 120.400 -0.076 0.000 2.103 153 D HA -0.180 4.461 4.640 0.001 0.000 0.190 153 D C 1.938 178.137 176.300 -0.169 0.000 0.997 153 D CA 1.151 55.084 54.000 -0.112 0.000 0.833 153 D CB -0.195 40.624 40.800 0.030 0.000 0.961 153 D HN 0.167 nan 8.370 nan 0.000 0.447 154 I N 0.580 121.081 120.570 -0.115 0.000 2.142 154 I HA -0.257 3.914 4.170 0.001 0.000 0.240 154 I C 2.590 178.643 176.117 -0.106 0.000 1.078 154 I CA 0.772 62.005 61.300 -0.111 0.000 1.343 154 I CB -0.318 37.621 38.000 -0.101 0.000 1.046 154 I HN -0.108 nan 8.210 nan 0.000 0.405 155 S N 0.413 116.036 115.700 -0.127 0.000 2.368 155 S HA -0.329 4.141 4.470 0.001 0.000 0.226 155 S C 1.737 176.219 174.600 -0.197 0.000 1.044 155 S CA 2.270 60.387 58.200 -0.138 0.000 1.062 155 S CB -0.522 62.597 63.200 -0.135 0.000 0.931 155 S HN 0.568 nan 8.310 nan 0.000 0.440 156 D N -0.471 119.719 120.400 -0.350 0.000 2.123 156 D HA -0.181 4.459 4.640 0.001 0.000 0.196 156 D C 1.783 177.940 176.300 -0.238 0.000 0.992 156 D CA 1.284 55.031 54.000 -0.422 0.000 0.833 156 D CB -0.277 39.914 40.800 -1.015 0.000 0.954 156 D HN 0.506 nan 8.370 nan 0.000 0.455 157 Y N 0.517 120.654 120.300 -0.272 0.000 2.070 157 Y HA -0.231 4.319 4.550 0.000 0.000 0.280 157 Y C 2.307 178.108 175.900 -0.164 0.000 1.148 157 Y CA 1.908 59.893 58.100 -0.192 0.000 1.125 157 Y CB -0.551 37.784 38.460 -0.208 0.000 0.975 157 Y HN -0.076 nan 8.280 nan 0.000 0.492 158 V N 0.495 120.397 119.914 -0.020 0.000 2.282 158 V HA -0.409 3.711 4.120 0.001 0.000 0.249 158 V C 2.605 178.610 176.094 -0.149 0.000 1.057 158 V CA 2.054 64.313 62.300 -0.068 0.000 1.032 158 V CB -1.734 30.056 31.823 -0.055 0.000 0.645 158 V HN 0.596 nan 8.190 nan 0.000 0.447 159 A N -0.323 122.402 122.820 -0.157 0.000 1.897 159 A HA 0.048 4.368 4.320 0.001 0.000 0.215 159 A C 2.293 179.778 177.584 -0.165 0.000 1.181 159 A CA 1.853 53.800 52.037 -0.149 0.000 0.620 159 A CB -0.627 18.291 19.000 -0.138 0.000 0.821 159 A HN 0.596 nan 8.150 nan 0.000 0.443 160 A N -1.125 121.570 122.820 -0.209 0.000 2.132 160 A HA 0.067 4.387 4.320 0.001 0.000 0.213 160 A C 1.600 179.023 177.584 -0.269 0.000 1.154 160 A CA 1.054 52.968 52.037 -0.205 0.000 0.753 160 A CB -0.140 18.755 19.000 -0.176 0.000 0.826 160 A HN 0.538 nan 8.150 nan 0.000 0.469 161 N N -2.001 116.459 118.700 -0.400 0.000 2.239 161 N HA 0.256 4.996 4.740 0.001 0.000 0.208 161 N C 1.082 176.439 175.510 -0.256 0.000 1.200 161 N CA 0.494 53.268 53.050 -0.461 0.000 0.895 161 N CB 0.486 38.329 38.487 -1.073 0.000 1.085 161 N HN 0.414 nan 8.380 nan 0.000 0.500 162 M N -0.037 119.451 119.600 -0.186 0.000 2.583 162 M HA 0.145 4.626 4.480 0.001 0.000 0.217 162 M C 1.914 178.181 176.300 -0.054 0.000 1.655 162 M CA 0.107 55.373 55.300 -0.056 0.000 1.114 162 M CB 0.497 33.106 32.600 0.014 0.000 1.384 162 M HN -0.192 nan 8.290 nan 0.000 0.562 163 K N 1.378 121.730 120.400 -0.081 0.000 2.071 163 K HA -0.273 4.047 4.320 0.001 0.000 0.217 163 K C 1.153 177.720 176.600 -0.055 0.000 1.054 163 K CA 2.603 58.846 56.287 -0.074 0.000 0.937 163 K CB -0.142 32.300 32.500 -0.096 0.000 0.719 163 K HN 0.195 nan 8.250 nan 0.000 0.454 164 D N -0.195 120.170 120.400 -0.059 0.000 2.104 164 D HA -0.161 4.479 4.640 0.001 0.000 0.194 164 D C 1.783 178.066 176.300 -0.028 0.000 0.994 164 D CA 1.580 55.554 54.000 -0.043 0.000 0.830 164 D CB -0.355 40.416 40.800 -0.049 0.000 0.959 164 D HN 0.407 nan 8.370 nan 0.000 0.452 165 A N 0.328 123.133 122.820 -0.025 0.000 1.877 165 A HA -0.164 4.157 4.320 0.001 0.000 0.216 165 A C 2.285 179.871 177.584 0.003 0.000 1.186 165 A CA 1.206 53.238 52.037 -0.008 0.000 0.620 165 A CB -0.812 18.188 19.000 -0.000 0.000 0.822 165 A HN 0.163 nan 8.150 nan 0.000 0.443 166 I N 0.916 121.488 120.570 0.004 0.000 2.163 166 I HA -0.261 3.909 4.170 0.001 0.000 0.243 166 I C 2.784 178.906 176.117 0.009 0.000 1.085 166 I CA 1.861 63.167 61.300 0.011 0.000 1.347 166 I CB -0.292 37.712 38.000 0.007 0.000 1.044 166 I HN 0.463 nan 8.210 nan 0.000 0.408 167 S N 0.480 116.178 115.700 -0.002 0.000 2.500 167 S HA -0.114 4.357 4.470 0.001 0.000 0.239 167 S C 1.854 176.460 174.600 0.009 0.000 0.989 167 S CA 0.835 59.036 58.200 0.003 0.000 0.951 167 S CB -0.397 62.798 63.200 -0.008 0.000 0.759 167 S HN 0.462 nan 8.310 nan 0.000 0.523 168 R N 0.460 120.964 120.500 0.007 0.000 2.472 168 R HA 0.223 4.564 4.340 0.001 0.000 0.279 168 R C -0.259 176.049 176.300 0.013 0.000 0.953 168 R CA -0.025 56.080 56.100 0.008 0.000 1.088 168 R CB 0.511 30.812 30.300 0.002 0.000 1.197 168 R HN 0.293 nan 8.270 nan 0.000 0.536 169 T N 0.790 115.355 114.554 0.018 0.000 2.918 169 T HA -0.022 4.328 4.350 0.001 0.000 0.302 169 T C 0.363 175.078 174.700 0.025 0.000 1.045 169 T CA 0.206 62.320 62.100 0.022 0.000 1.114 169 T CB 1.484 70.369 68.868 0.028 0.000 0.965 169 T HN -0.019 nan 8.240 nan 0.000 0.540 170 S N 1.375 117.089 115.700 0.024 0.000 2.546 170 S HA 0.352 4.822 4.470 0.001 0.000 0.290 170 S C 1.513 176.132 174.600 0.031 0.000 1.262 170 S CA 0.627 58.842 58.200 0.024 0.000 1.083 170 S CB -0.900 62.312 63.200 0.021 0.000 0.859 170 S HN 1.191 nan 8.310 nan 0.000 0.495 171 G N 3.107 111.928 108.800 0.034 0.000 2.195 171 G HA2 -0.225 3.736 3.960 0.001 0.000 0.246 171 G HA3 -0.225 3.736 3.960 0.001 0.000 0.246 171 G C 0.091 175.023 174.900 0.053 0.000 0.984 171 G CA 0.001 45.127 45.100 0.043 0.000 0.633 171 G HN 0.986 nan 8.290 nan 0.000 0.525 172 V N 1.650 121.594 119.914 0.049 0.000 2.488 172 V HA 0.602 4.722 4.120 0.001 0.000 0.277 172 V C 1.532 177.660 176.094 0.058 0.000 1.046 172 V CA 0.608 62.943 62.300 0.058 0.000 0.986 172 V CB 0.948 32.800 31.823 0.048 0.000 0.989 172 V HN 0.571 nan 8.190 nan 0.000 0.475 173 G N 3.689 112.534 108.800 0.075 0.000 3.311 173 G HA2 0.117 4.077 3.960 0.001 0.000 0.169 173 G HA3 0.117 4.077 3.960 0.001 0.000 0.169 173 G C -0.238 174.708 174.900 0.076 0.000 1.852 173 G CA -0.321 44.824 45.100 0.075 0.000 1.010 173 G HN 0.647 nan 8.290 nan 0.000 0.530 174 D N -1.231 119.228 120.400 0.098 0.000 2.399 174 D HA 0.408 5.048 4.640 0.001 0.000 0.241 174 D C -0.447 175.916 176.300 0.105 0.000 1.133 174 D CA 0.393 54.452 54.000 0.099 0.000 0.890 174 D CB 1.488 42.364 40.800 0.126 0.000 1.201 174 D HN 0.012 nan 8.370 nan 0.000 0.432 175 V N 2.856 122.799 119.914 0.049 0.000 2.409 175 V HA 0.223 4.343 4.120 0.001 0.000 0.290 175 V C -0.418 175.620 176.094 -0.093 0.000 1.017 175 V CA -0.769 61.521 62.300 -0.017 0.000 0.841 175 V CB 1.402 33.198 31.823 -0.045 0.000 1.003 175 V HN 0.476 nan 8.190 nan 0.000 0.426 176 Q N 4.303 123.987 119.800 -0.193 0.000 2.256 176 Q HA 0.509 4.849 4.340 0.001 0.000 0.254 176 Q C -0.952 174.621 176.000 -0.712 0.000 0.916 176 Q CA -0.107 55.447 55.803 -0.414 0.000 0.932 176 Q CB 1.542 29.991 28.738 -0.481 0.000 1.207 176 Q HN 0.765 nan 8.270 nan 0.000 0.426 177 L N 5.329 126.226 121.223 -0.544 0.000 2.305 177 L HA 0.365 4.705 4.340 0.001 0.000 0.281 177 L C -0.925 175.583 176.870 -0.603 0.000 1.085 177 L CA -0.501 54.049 54.840 -0.482 0.000 0.813 177 L CB 0.385 42.293 42.059 -0.251 0.000 1.157 177 L HN 0.838 nan 8.230 nan 0.000 0.436 178 F N 4.467 124.310 119.950 -0.178 0.000 2.509 178 F HA 0.508 5.035 4.527 0.000 0.000 0.344 178 F C 0.953 176.704 175.800 -0.081 0.000 1.197 178 F CA -0.075 57.845 58.000 -0.134 0.000 1.294 178 F CB 0.491 39.470 39.000 -0.035 0.000 1.643 178 F HN 0.611 nan 8.300 nan 0.000 0.596 179 G N -0.135 108.669 108.800 0.007 0.000 2.369 179 G HA2 0.251 4.211 3.960 0.001 0.000 0.293 179 G HA3 0.251 4.211 3.960 0.001 0.000 0.293 179 G C -1.532 173.310 174.900 -0.096 0.000 1.301 179 G CA -1.011 44.067 45.100 -0.037 0.000 0.913 179 G HN 0.187 nan 8.290 nan 0.000 0.540 180 S N -0.776 114.845 115.700 -0.131 0.000 2.600 180 S HA 0.671 5.141 4.470 0.001 0.000 0.300 180 S C -0.074 174.439 174.600 -0.146 0.000 1.087 180 S CA -0.551 57.561 58.200 -0.147 0.000 0.965 180 S CB 1.932 65.012 63.200 -0.199 0.000 1.089 180 S HN 0.788 nan 8.310 nan 0.000 0.496 181 Q N 0.450 120.182 119.800 -0.113 0.000 2.368 181 Q HA 0.240 4.580 4.340 0.001 0.000 0.237 181 Q C -1.151 174.859 176.000 0.017 0.000 0.987 181 Q CA -0.385 55.367 55.803 -0.086 0.000 0.896 181 Q CB 0.298 29.002 28.738 -0.056 0.000 1.241 181 Q HN 0.597 nan 8.270 nan 0.000 0.485 182 Y N 0.444 120.733 120.300 -0.019 0.000 2.610 182 Y HA 0.245 4.795 4.550 0.000 0.000 0.332 182 Y C 0.196 176.151 175.900 0.092 0.000 1.201 182 Y CA -0.308 57.811 58.100 0.032 0.000 1.465 182 Y CB 0.621 39.130 38.460 0.082 0.000 1.283 182 Y HN 0.589 nan 8.280 nan 0.000 0.563 183 A N 4.175 127.146 122.820 0.251 0.000 2.435 183 A HA 0.596 4.917 4.320 0.001 0.000 0.304 183 A C -0.760 176.815 177.584 -0.015 0.000 1.064 183 A CA -1.060 51.107 52.037 0.218 0.000 0.727 183 A CB 1.112 20.220 19.000 0.180 0.000 1.284 183 A HN 0.694 nan 8.150 nan 0.000 0.415 184 M N 1.600 121.022 119.600 -0.297 0.000 2.427 184 M HA 0.274 4.755 4.480 0.001 0.000 0.345 184 M C -0.015 175.971 176.300 -0.524 0.000 1.653 184 M CA 0.546 55.359 55.300 -0.813 0.000 1.138 184 M CB -0.666 30.885 32.600 -1.749 0.000 1.995 184 M HN 0.517 nan 8.290 nan 0.000 0.459 185 R N 5.244 125.471 120.500 -0.455 0.000 2.275 185 R HA 0.515 4.855 4.340 0.001 0.000 0.326 185 R C -1.397 174.487 176.300 -0.693 0.000 0.973 185 R CA -0.092 55.674 56.100 -0.556 0.000 0.854 185 R CB 0.307 30.317 30.300 -0.482 0.000 1.156 185 R HN 0.799 nan 8.270 nan 0.000 0.487 186 I N 4.473 124.692 120.570 -0.586 0.000 2.287 186 I HA 0.226 4.396 4.170 0.001 0.000 0.290 186 I C -0.411 175.534 176.117 -0.287 0.000 1.069 186 I CA -0.337 60.761 61.300 -0.338 0.000 1.237 186 I CB 0.649 38.545 38.000 -0.173 0.000 1.418 186 I HN 0.449 nan 8.210 nan 0.000 0.481 187 W N 7.451 128.769 121.300 0.030 0.000 2.433 187 W HA 0.419 5.080 4.660 0.000 0.000 0.331 187 W C 0.161 176.732 176.519 0.086 0.000 1.110 187 W CA -0.692 56.684 57.345 0.052 0.000 1.450 187 W CB 0.310 29.787 29.460 0.028 0.000 1.348 187 W HN 0.294 nan 8.180 nan 0.000 0.415 188 M N 3.301 123.090 119.600 0.316 0.000 2.238 188 M HA 0.057 4.538 4.480 0.001 0.000 0.347 188 M C 0.438 176.891 176.300 0.255 0.000 1.173 188 M CA 0.418 55.884 55.300 0.277 0.000 1.147 188 M CB 0.487 33.279 32.600 0.320 0.000 1.547 188 M HN 0.314 nan 8.290 nan 0.000 0.455 189 N N 4.135 122.887 118.700 0.088 0.000 2.443 189 N HA 0.305 5.045 4.740 0.001 0.000 0.269 189 N C -2.170 173.113 175.510 -0.379 0.000 0.985 189 N CA -1.695 51.230 53.050 -0.210 0.000 0.921 189 N CB 2.030 40.444 38.487 -0.121 0.000 1.195 189 N HN 0.323 nan 8.380 nan 0.000 0.492 190 P HA -0.034 nan 4.420 nan 0.000 0.221 190 P C 0.516 177.512 177.300 -0.505 0.000 1.150 190 P CA 0.950 63.472 63.100 -0.964 0.000 0.800 190 P CB 0.655 31.142 31.700 -2.022 0.000 0.787 191 N N 0.427 118.811 118.700 -0.527 0.000 2.216 191 N HA -0.094 4.646 4.740 0.001 0.000 0.183 191 N C 1.713 177.083 175.510 -0.234 0.000 1.017 191 N CA 1.095 53.959 53.050 -0.310 0.000 0.861 191 N CB -0.469 37.856 38.487 -0.270 0.000 0.986 191 N HN 0.376 nan 8.380 nan 0.000 0.428 192 E N 0.319 120.404 120.200 -0.193 0.000 2.170 192 E HA 0.065 4.416 4.350 0.001 0.000 0.191 192 E C 1.910 178.506 176.600 -0.007 0.000 0.981 192 E CA 0.149 56.487 56.400 -0.103 0.000 0.830 192 E CB 0.049 29.762 29.700 0.023 0.000 0.775 192 E HN 0.228 nan 8.360 nan 0.000 0.470 193 L N 1.590 122.821 121.223 0.013 0.000 2.046 193 L HA -0.199 4.141 4.340 0.001 0.000 0.208 193 L C 2.529 179.436 176.870 0.061 0.000 1.077 193 L CA 1.058 55.962 54.840 0.106 0.000 0.747 193 L CB -0.418 41.728 42.059 0.144 0.000 0.896 193 L HN 0.261 nan 8.230 nan 0.000 0.432 194 N N 0.349 119.027 118.700 -0.037 0.000 2.166 194 N HA -0.266 4.475 4.740 0.001 0.000 0.186 194 N C 1.926 177.317 175.510 -0.199 0.000 1.019 194 N CA 1.249 54.225 53.050 -0.123 0.000 0.856 194 N CB 0.101 38.432 38.487 -0.260 0.000 0.993 194 N HN 0.238 nan 8.380 nan 0.000 0.426 195 K N -0.259 119.974 120.400 -0.279 0.000 2.097 195 K HA -0.093 4.228 4.320 0.001 0.000 0.206 195 K C 0.694 177.013 176.600 -0.467 0.000 1.049 195 K CA 1.267 57.285 56.287 -0.448 0.000 0.933 195 K CB -0.046 32.057 32.500 -0.661 0.000 0.717 195 K HN 0.184 nan 8.250 nan 0.000 0.442 196 F N 0.734 120.663 119.950 -0.035 0.000 2.639 196 F HA 0.169 4.697 4.527 0.001 0.000 0.300 196 F C -0.251 175.545 175.800 -0.006 0.000 1.109 196 F CA -0.655 57.335 58.000 -0.017 0.000 1.335 196 F CB 0.435 39.432 39.000 -0.005 0.000 1.014 196 F HN -0.038 nan 8.300 nan 0.000 0.537 197 Q N 1.102 120.958 119.800 0.094 0.000 2.451 197 Q HA -0.173 4.167 4.340 0.001 0.000 0.305 197 Q C -1.156 174.913 176.000 0.115 0.000 1.345 197 Q CA 0.626 56.474 55.803 0.076 0.000 0.854 197 Q CB -1.551 27.223 28.738 0.060 0.000 1.162 197 Q HN 0.497 nan 8.270 nan 0.000 0.440 198 L N -0.633 120.677 121.223 0.144 0.000 2.354 198 L HA 0.807 5.148 4.340 0.001 0.000 0.264 198 L C 0.422 177.402 176.870 0.184 0.000 1.008 198 L CA -0.650 54.281 54.840 0.152 0.000 0.819 198 L CB 2.182 44.335 42.059 0.157 0.000 1.339 198 L HN 0.221 nan 8.230 nan 0.000 0.420 199 T N -2.563 112.099 114.554 0.180 0.000 2.916 199 T HA 0.433 4.783 4.350 0.001 0.000 0.292 199 T C -2.339 172.476 174.700 0.192 0.000 1.055 199 T CA -2.095 60.141 62.100 0.227 0.000 1.009 199 T CB 2.039 71.031 68.868 0.208 0.000 1.118 199 T HN 0.220 nan 8.240 nan 0.000 0.497 200 P HA -0.176 nan 4.420 nan 0.000 0.219 200 P C 1.700 179.060 177.300 0.100 0.000 1.151 200 P CA 0.747 63.935 63.100 0.146 0.000 0.850 200 P CB -0.225 31.540 31.700 0.109 0.000 0.784 201 V N 0.414 120.387 119.914 0.098 0.000 2.261 201 V HA -0.260 3.860 4.120 0.001 0.000 0.246 201 V C 2.034 178.161 176.094 0.056 0.000 1.047 201 V CA 2.268 64.608 62.300 0.066 0.000 1.015 201 V CB -1.258 30.601 31.823 0.060 0.000 0.642 201 V HN 0.148 nan 8.190 nan 0.000 0.446 202 D N 0.304 120.745 120.400 0.068 0.000 2.123 202 D HA -0.149 4.491 4.640 0.001 0.000 0.196 202 D C 2.221 178.550 176.300 0.049 0.000 0.992 202 D CA 1.518 55.551 54.000 0.055 0.000 0.833 202 D CB -0.453 40.387 40.800 0.067 0.000 0.954 202 D HN 0.365 nan 8.370 nan 0.000 0.455 203 V N 1.570 121.522 119.914 0.065 0.000 2.255 203 V HA -0.247 3.873 4.120 0.001 0.000 0.247 203 V C 2.640 178.760 176.094 0.043 0.000 1.051 203 V CA 1.309 63.645 62.300 0.059 0.000 1.018 203 V CB -0.483 31.387 31.823 0.079 0.000 0.641 203 V HN 0.152 nan 8.190 nan 0.000 0.445 204 I N 0.215 120.807 120.570 0.037 0.000 2.208 204 I HA -0.267 3.903 4.170 0.001 0.000 0.245 204 I C 2.540 178.661 176.117 0.008 0.000 1.097 204 I CA 2.059 63.370 61.300 0.017 0.000 1.363 204 I CB -0.707 37.298 38.000 0.009 0.000 1.051 204 I HN 0.372 nan 8.210 nan 0.000 0.413 205 T N 0.588 115.148 114.554 0.010 0.000 2.746 205 T HA -0.137 4.214 4.350 0.001 0.000 0.267 205 T C 1.997 176.696 174.700 -0.002 0.000 1.039 205 T CA 1.377 63.478 62.100 0.001 0.000 1.142 205 T CB -0.373 68.498 68.868 0.005 0.000 0.866 205 T HN 0.477 nan 8.240 nan 0.000 0.444 206 A N 0.645 123.468 122.820 0.004 0.000 2.014 206 A HA 0.152 4.472 4.320 0.001 0.000 0.218 206 A C 2.245 179.824 177.584 -0.010 0.000 1.163 206 A CA 0.663 52.697 52.037 -0.005 0.000 0.652 206 A CB -0.678 18.320 19.000 -0.002 0.000 0.808 206 A HN 0.513 nan 8.150 nan 0.000 0.449 207 I N -0.550 120.027 120.570 0.012 0.000 2.286 207 I HA -0.224 3.946 4.170 0.001 0.000 0.245 207 I C 2.363 178.482 176.117 0.003 0.000 1.104 207 I CA 1.298 62.616 61.300 0.030 0.000 1.397 207 I CB -0.168 37.883 38.000 0.085 0.000 1.072 207 I HN 0.241 nan 8.210 nan 0.000 0.417 208 K N 0.771 121.167 120.400 -0.006 0.000 2.148 208 K HA -0.097 4.223 4.320 0.001 0.000 0.204 208 K C 2.184 178.769 176.600 -0.025 0.000 1.050 208 K CA 1.389 57.665 56.287 -0.019 0.000 0.942 208 K CB -0.166 32.317 32.500 -0.028 0.000 0.724 208 K HN 0.305 nan 8.250 nan 0.000 0.446 209 A N 1.123 123.927 122.820 -0.027 0.000 1.898 209 A HA -0.128 4.192 4.320 0.001 0.000 0.214 209 A C 1.734 179.291 177.584 -0.045 0.000 1.183 209 A CA 1.080 53.098 52.037 -0.032 0.000 0.622 209 A CB -0.079 18.904 19.000 -0.028 0.000 0.824 209 A HN 0.264 nan 8.150 nan 0.000 0.444 210 Q N -1.429 118.333 119.800 -0.063 0.000 2.282 210 Q HA 0.110 4.451 4.340 0.001 0.000 0.206 210 Q C -0.382 175.534 176.000 -0.140 0.000 0.878 210 Q CA -0.063 55.683 55.803 -0.095 0.000 0.944 210 Q CB 0.291 28.966 28.738 -0.105 0.000 1.100 210 Q HN 0.525 nan 8.270 nan 0.000 0.509 211 N N 1.010 119.640 118.700 -0.117 0.000 2.623 211 N HA 0.485 5.226 4.740 0.001 0.000 0.256 211 N C -1.809 173.686 175.510 -0.025 0.000 1.045 211 N CA -0.156 52.828 53.050 -0.110 0.000 0.863 211 N CB 1.246 39.651 38.487 -0.137 0.000 1.182 211 N HN 0.118 nan 8.380 nan 0.000 0.523 212 A N 1.885 124.693 122.820 -0.021 0.000 2.605 212 A HA 0.517 4.837 4.320 0.001 0.000 0.294 212 A C -1.486 176.096 177.584 -0.003 0.000 1.062 212 A CA -0.766 51.268 52.037 -0.005 0.000 0.682 212 A CB 1.372 20.363 19.000 -0.016 0.000 1.278 212 A HN 0.407 nan 8.150 nan 0.000 0.410 213 Q N 0.397 120.199 119.800 0.003 0.000 2.230 213 Q HA 0.603 4.943 4.340 0.001 0.000 0.253 213 Q C -1.017 174.980 176.000 -0.005 0.000 0.919 213 Q CA -0.409 55.394 55.803 0.000 0.000 0.908 213 Q CB 2.100 30.842 28.738 0.005 0.000 1.245 213 Q HN 0.578 nan 8.270 nan 0.000 0.437 214 V N 1.243 121.153 119.914 -0.007 0.000 2.569 214 V HA 0.419 4.540 4.120 0.001 0.000 0.301 214 V C -0.509 175.581 176.094 -0.007 0.000 1.044 214 V CA -1.039 61.256 62.300 -0.009 0.000 0.874 214 V CB 1.741 33.558 31.823 -0.011 0.000 1.002 214 V HN 0.842 nan 8.190 nan 0.000 0.424 215 A N 3.546 126.361 122.820 -0.007 0.000 2.396 215 A HA 0.669 4.989 4.320 0.001 0.000 0.279 215 A C 1.010 178.590 177.584 -0.007 0.000 1.165 215 A CA 0.485 52.519 52.037 -0.006 0.000 0.824 215 A CB 0.626 19.623 19.000 -0.006 0.000 1.100 215 A HN 1.425 nan 8.150 nan 0.000 0.516 216 A N 2.551 125.367 122.820 -0.007 0.000 2.431 216 A HA 0.566 4.887 4.320 0.001 0.000 0.239 216 A C 1.378 178.958 177.584 -0.006 0.000 1.230 216 A CA 1.078 53.111 52.037 -0.007 0.000 0.928 216 A CB -0.643 18.352 19.000 -0.007 0.000 1.006 216 A HN 2.688 nan 8.150 nan 0.000 0.520 217 G N -0.044 108.753 108.800 -0.006 0.000 2.499 217 G HA2 -0.030 3.930 3.960 0.001 0.000 0.232 217 G HA3 -0.030 3.930 3.960 0.001 0.000 0.232 217 G C -0.327 174.570 174.900 -0.005 0.000 1.251 217 G CA 0.145 45.242 45.100 -0.005 0.000 0.917 217 G HN 1.518 nan 8.290 nan 0.000 0.580 218 Q N -1.338 118.459 119.800 -0.005 0.000 2.575 218 Q HA 0.666 5.006 4.340 0.001 0.000 0.290 218 Q C -1.281 174.717 176.000 -0.004 0.000 0.963 218 Q CA -1.164 54.637 55.803 -0.004 0.000 0.783 218 Q CB 1.366 30.101 28.738 -0.004 0.000 1.467 218 Q HN 0.959 nan 8.270 nan 0.000 0.402 219 L N 0.712 121.933 121.223 -0.004 0.000 2.312 219 L HA 0.651 4.991 4.340 0.001 0.000 0.281 219 L C 1.136 178.004 176.870 -0.003 0.000 1.070 219 L CA 0.319 55.157 54.840 -0.004 0.000 0.805 219 L CB 1.008 43.065 42.059 -0.004 0.000 1.174 219 L HN 1.062 nan 8.230 nan 0.000 0.434 220 G N 1.615 110.414 108.800 -0.003 0.000 2.179 220 G HA2 -0.207 3.753 3.960 0.001 0.000 0.257 220 G HA3 -0.207 3.753 3.960 0.001 0.000 0.257 220 G C 0.518 175.417 174.900 -0.003 0.000 1.010 220 G CA -0.025 45.074 45.100 -0.003 0.000 0.736 220 G HN 1.119 nan 8.290 nan 0.000 0.513 221 G N -0.563 108.235 108.800 -0.003 0.000 2.491 221 G HA2 0.507 4.468 3.960 0.001 0.000 0.242 221 G HA3 0.507 4.468 3.960 0.001 0.000 0.242 221 G C 0.520 175.418 174.900 -0.003 0.000 1.266 221 G CA 0.852 45.950 45.100 -0.003 0.000 0.844 221 G HN 1.024 nan 8.290 nan 0.000 0.571 222 T N 2.435 116.987 114.554 -0.003 0.000 2.928 222 T HA 0.340 4.690 4.350 0.001 0.000 0.305 222 T C -1.429 173.269 174.700 -0.003 0.000 1.035 222 T CA -1.059 61.039 62.100 -0.003 0.000 1.145 222 T CB 0.331 69.197 68.868 -0.003 0.000 0.963 222 T HN 0.467 nan 8.240 nan 0.000 0.545 223 P HA 0.464 nan 4.420 nan 0.000 0.286 223 P C -2.720 174.578 177.300 -0.003 0.000 1.269 223 P CA -1.442 61.657 63.100 -0.003 0.000 0.787 223 P CB 0.581 32.280 31.700 -0.003 0.000 0.920 224 P HA 0.180 nan 4.420 nan 0.000 0.283 224 P C -0.181 177.118 177.300 -0.002 0.000 1.271 224 P CA -0.653 62.446 63.100 -0.003 0.000 0.841 224 P CB 0.835 32.534 31.700 -0.003 0.000 1.122 225 V N -0.938 118.975 119.914 -0.002 0.000 3.051 225 V HA 0.231 4.351 4.120 0.001 0.000 0.306 225 V C 0.368 176.460 176.094 -0.002 0.000 1.083 225 V CA -0.567 61.731 62.300 -0.002 0.000 1.104 225 V CB -0.268 31.553 31.823 -0.002 0.000 1.027 225 V HN 0.384 nan 8.190 nan 0.000 0.483 226 K N 2.425 122.824 120.400 -0.002 0.000 2.448 226 K HA 0.417 4.737 4.320 0.001 0.000 0.278 226 K C 1.103 177.702 176.600 -0.002 0.000 1.009 226 K CA 0.963 57.249 56.287 -0.002 0.000 0.995 226 K CB 0.447 32.946 32.500 -0.002 0.000 0.917 226 K HN 1.520 nan 8.250 nan 0.000 0.481 227 G N 1.800 110.599 108.800 -0.002 0.000 2.141 227 G HA2 -0.259 3.702 3.960 0.001 0.000 0.231 227 G HA3 -0.259 3.702 3.960 0.001 0.000 0.231 227 G C -0.103 174.796 174.900 -0.002 0.000 0.984 227 G CA -0.047 45.051 45.100 -0.002 0.000 0.660 227 G HN 0.540 nan 8.290 nan 0.000 0.525 228 Q N 0.307 120.106 119.800 -0.002 0.000 2.311 228 Q HA 0.557 4.898 4.340 0.001 0.000 0.272 228 Q C 1.404 177.403 176.000 -0.002 0.000 1.012 228 Q CA 0.705 56.507 55.803 -0.002 0.000 0.891 228 Q CB 0.600 29.336 28.738 -0.002 0.000 1.201 228 Q HN 0.580 nan 8.270 nan 0.000 0.391 229 Q N 2.675 122.473 119.800 -0.002 0.000 2.387 229 Q HA 0.241 4.582 4.340 0.001 0.000 0.212 229 Q C -0.200 175.799 176.000 -0.002 0.000 0.925 229 Q CA 0.010 55.812 55.803 -0.002 0.000 0.901 229 Q CB 0.488 29.225 28.738 -0.002 0.000 1.020 229 Q HN 0.659 nan 8.270 nan 0.000 0.545 230 L N 1.455 122.677 121.223 -0.002 0.000 2.307 230 L HA 0.379 4.719 4.340 0.001 0.000 0.282 230 L C -0.949 175.920 176.870 -0.002 0.000 1.051 230 L CA -0.259 54.580 54.840 -0.002 0.000 0.804 230 L CB 1.068 43.126 42.059 -0.002 0.000 1.197 230 L HN 0.023 nan 8.230 nan 0.000 0.431 231 N N 4.721 123.420 118.700 -0.003 0.000 2.558 231 N HA 0.648 5.388 4.740 0.001 0.000 0.285 231 N C -1.861 173.648 175.510 -0.003 0.000 1.112 231 N CA -0.282 52.767 53.050 -0.003 0.000 0.857 231 N CB 1.742 40.227 38.487 -0.003 0.000 1.376 231 N HN 0.810 nan 8.380 nan 0.000 0.526 232 A N 2.138 124.956 122.820 -0.003 0.000 2.539 232 A HA 0.608 4.928 4.320 0.001 0.000 0.296 232 A C -0.546 177.036 177.584 -0.004 0.000 1.073 232 A CA -0.555 51.480 52.037 -0.003 0.000 0.700 232 A CB 1.565 20.563 19.000 -0.003 0.000 1.296 232 A HN 0.479 nan 8.150 nan 0.000 0.405 233 S N 0.528 116.226 115.700 -0.004 0.000 2.564 233 S HA 0.408 4.878 4.470 0.001 0.000 0.278 233 S C 0.028 174.625 174.600 -0.004 0.000 1.333 233 S CA 0.036 58.234 58.200 -0.004 0.000 1.048 233 S CB 0.073 63.270 63.200 -0.004 0.000 0.900 233 S HN 0.445 nan 8.310 nan 0.000 0.505 234 I N 3.578 124.145 120.570 -0.005 0.000 2.331 234 I HA 0.309 4.479 4.170 0.001 0.000 0.292 234 I C -0.552 175.562 176.117 -0.006 0.000 0.998 234 I CA -0.476 60.821 61.300 -0.005 0.000 1.267 234 I CB 0.831 38.828 38.000 -0.006 0.000 1.386 234 I HN 0.328 nan 8.210 nan 0.000 0.476 235 I N 5.690 126.256 120.570 -0.006 0.000 2.355 235 I HA 0.472 4.643 4.170 0.001 0.000 0.288 235 I C 0.635 176.747 176.117 -0.008 0.000 0.999 235 I CA -0.159 61.137 61.300 -0.006 0.000 1.163 235 I CB 0.977 38.974 38.000 -0.005 0.000 1.316 235 I HN 0.656 nan 8.210 nan 0.000 0.454 236 A N 6.556 129.371 122.820 -0.009 0.000 3.623 236 A HA 0.414 4.735 4.320 0.001 0.000 0.157 236 A C 0.414 177.991 177.584 -0.012 0.000 1.850 236 A CA -0.281 51.749 52.037 -0.011 0.000 1.186 236 A CB 0.001 18.994 19.000 -0.011 0.000 1.824 236 A HN 0.662 nan 8.150 nan 0.000 0.710 237 Q N -0.052 119.739 119.800 -0.015 0.000 2.369 237 Q HA 0.257 4.597 4.340 0.001 0.000 0.295 237 Q C -0.810 175.182 176.000 -0.013 0.000 1.075 237 Q CA 0.703 56.495 55.803 -0.019 0.000 0.941 237 Q CB 0.275 28.999 28.738 -0.023 0.000 1.260 237 Q HN 0.591 nan 8.270 nan 0.000 0.417 238 T N 2.546 117.091 114.554 -0.014 0.000 2.876 238 T HA 0.355 4.706 4.350 0.001 0.000 0.289 238 T C -0.406 174.291 174.700 -0.004 0.000 1.014 238 T CA -0.837 61.260 62.100 -0.005 0.000 0.986 238 T CB 1.147 70.015 68.868 -0.001 0.000 1.021 238 T HN 0.442 nan 8.240 nan 0.000 0.458 239 R N 1.454 121.964 120.500 0.017 0.000 2.698 239 R HA 0.210 4.550 4.340 0.001 0.000 0.266 239 R C 0.139 176.472 176.300 0.054 0.000 1.026 239 R CA -0.154 55.973 56.100 0.045 0.000 1.102 239 R CB 0.124 30.480 30.300 0.094 0.000 0.978 239 R HN 0.483 nan 8.270 nan 0.000 0.436 240 L N 1.392 122.630 121.223 0.026 0.000 2.467 240 L HA 0.034 4.375 4.340 0.001 0.000 0.270 240 L C 1.229 178.270 176.870 0.286 0.000 1.205 240 L CA 0.146 54.987 54.840 0.003 0.000 0.828 240 L CB 0.697 42.494 42.059 -0.437 0.000 1.101 240 L HN 0.754 nan 8.230 nan 0.000 0.479 241 T N -0.916 113.788 114.554 0.249 0.000 3.151 241 T HA 0.049 4.399 4.350 0.001 0.000 0.239 241 T C 0.667 175.586 174.700 0.364 0.000 0.979 241 T CA -0.008 62.271 62.100 0.300 0.000 1.194 241 T CB 0.363 69.321 68.868 0.151 0.000 0.982 241 T HN 0.628 nan 8.240 nan 0.000 0.428 242 S N 1.479 117.327 115.700 0.247 0.000 2.603 242 S HA 0.217 4.687 4.470 0.001 0.000 0.268 242 S C 1.356 176.103 174.600 0.245 0.000 1.317 242 S CA -0.360 57.963 58.200 0.204 0.000 1.012 242 S CB 1.304 64.579 63.200 0.126 0.000 0.926 242 S HN 0.343 nan 8.310 nan 0.000 0.539 243 T N 0.342 114.980 114.554 0.141 0.000 2.788 243 T HA -0.172 4.179 4.350 0.001 0.000 0.268 243 T C 1.628 176.406 174.700 0.130 0.000 1.044 243 T CA 1.793 63.940 62.100 0.079 0.000 1.139 243 T CB -0.384 68.483 68.868 -0.002 0.000 0.867 243 T HN 0.735 nan 8.240 nan 0.000 0.454 244 E N 0.105 120.368 120.200 0.105 0.000 2.110 244 E HA -0.145 4.205 4.350 0.001 0.000 0.193 244 E C 2.114 178.760 176.600 0.078 0.000 0.988 244 E CA 1.267 57.715 56.400 0.080 0.000 0.804 244 E CB -0.046 29.689 29.700 0.058 0.000 0.745 244 E HN 0.648 nan 8.360 nan 0.000 0.458 245 E N -0.529 119.721 120.200 0.084 0.000 2.153 245 E HA -0.177 4.174 4.350 0.001 0.000 0.194 245 E C 1.772 178.335 176.600 -0.061 0.000 0.988 245 E CA 0.817 57.218 56.400 0.002 0.000 0.811 245 E CB -0.135 29.549 29.700 -0.026 0.000 0.746 245 E HN 0.346 nan 8.360 nan 0.000 0.466 246 F N 0.533 120.462 119.950 -0.034 0.000 2.325 246 F HA -0.009 4.519 4.527 0.001 0.000 0.299 246 F C 2.394 178.171 175.800 -0.040 0.000 1.090 246 F CA 0.987 58.954 58.000 -0.055 0.000 1.392 246 F CB -0.269 38.667 39.000 -0.106 0.000 1.053 246 F HN 0.046 nan 8.300 nan 0.000 0.521 247 G N -0.220 108.659 108.800 0.131 0.000 2.408 247 G HA2 -0.209 3.752 3.960 0.001 0.000 0.217 247 G HA3 -0.209 3.752 3.960 0.001 0.000 0.217 247 G C 1.538 176.454 174.900 0.027 0.000 1.150 247 G CA 0.352 45.495 45.100 0.072 0.000 0.776 247 G HN 0.267 nan 8.290 nan 0.000 0.542 248 K N 0.238 120.640 120.400 0.004 0.000 2.505 248 K HA 0.199 4.519 4.320 0.001 0.000 0.192 248 K C 0.210 176.785 176.600 -0.041 0.000 1.025 248 K CA -0.359 55.915 56.287 -0.022 0.000 1.086 248 K CB 0.271 32.756 32.500 -0.025 0.000 0.840 248 K HN 0.200 nan 8.250 nan 0.000 0.514 249 I N 2.646 123.191 120.570 -0.043 0.000 2.742 249 I HA -0.119 4.051 4.170 0.001 0.000 0.287 249 I C 0.282 176.374 176.117 -0.042 0.000 1.186 249 I CA 0.029 61.297 61.300 -0.052 0.000 1.417 249 I CB -0.457 37.525 38.000 -0.031 0.000 1.377 249 I HN 0.077 nan 8.210 nan 0.000 0.556 250 L N 8.158 129.352 121.223 -0.048 0.000 2.313 250 L HA 0.211 4.551 4.340 0.001 0.000 0.282 250 L C 0.579 177.422 176.870 -0.043 0.000 1.092 250 L CA 0.357 55.166 54.840 -0.050 0.000 0.831 250 L CB 0.629 42.660 42.059 -0.048 0.000 1.159 250 L HN 0.529 nan 8.230 nan 0.000 0.442 251 L N 3.438 124.629 121.223 -0.053 0.000 2.269 251 L HA 0.321 4.661 4.340 0.001 0.000 0.200 251 L C 0.566 177.413 176.870 -0.038 0.000 1.069 251 L CA 0.142 54.960 54.840 -0.037 0.000 0.804 251 L CB -0.089 41.949 42.059 -0.036 0.000 0.987 251 L HN 0.574 nan 8.230 nan 0.000 0.468 252 K N 0.431 120.791 120.400 -0.066 0.000 2.535 252 K HA 0.428 4.748 4.320 0.001 0.000 0.251 252 K C -1.668 174.891 176.600 -0.067 0.000 0.942 252 K CA -0.443 55.812 56.287 -0.054 0.000 0.798 252 K CB 2.702 35.174 32.500 -0.047 0.000 1.267 252 K HN -0.268 nan 8.250 nan 0.000 0.434 253 V N 4.524 124.414 119.914 -0.040 0.000 2.383 253 V HA 0.247 4.367 4.120 0.001 0.000 0.275 253 V C 0.103 176.185 176.094 -0.020 0.000 1.036 253 V CA -0.876 61.402 62.300 -0.036 0.000 0.889 253 V CB 1.141 32.949 31.823 -0.026 0.000 0.985 253 V HN 0.750 nan 8.190 nan 0.000 0.459 254 N N 3.336 122.024 118.700 -0.019 0.000 2.483 254 N HA 0.141 4.881 4.740 0.001 0.000 0.269 254 N C 0.792 176.304 175.510 0.004 0.000 1.209 254 N CA -0.414 52.639 53.050 0.005 0.000 0.969 254 N CB 1.599 40.098 38.487 0.020 0.000 1.173 254 N HN 0.610 nan 8.380 nan 0.000 0.475 255 Q N 0.664 120.471 119.800 0.010 0.000 2.084 255 Q HA -0.169 4.172 4.340 0.001 0.000 0.202 255 Q C 1.146 177.149 176.000 0.006 0.000 0.978 255 Q CA 1.467 57.275 55.803 0.007 0.000 0.844 255 Q CB -0.202 28.541 28.738 0.009 0.000 0.898 255 Q HN 0.654 nan 8.270 nan 0.000 0.426 256 D N -1.296 119.110 120.400 0.009 0.000 2.350 256 D HA -0.067 4.574 4.640 0.001 0.000 0.216 256 D C 1.257 177.559 176.300 0.004 0.000 0.968 256 D CA 1.255 55.260 54.000 0.008 0.000 0.894 256 D CB 0.059 40.867 40.800 0.013 0.000 0.909 256 D HN 0.399 nan 8.370 nan 0.000 0.520 257 G N 0.411 109.211 108.800 0.000 0.000 2.699 257 G HA2 -0.239 3.721 3.960 0.001 0.000 0.198 257 G HA3 -0.239 3.721 3.960 0.001 0.000 0.198 257 G C 0.345 175.238 174.900 -0.012 0.000 1.033 257 G CA 0.184 45.281 45.100 -0.005 0.000 0.728 257 G HN 0.707 nan 8.290 nan 0.000 0.484 258 S N 1.672 117.366 115.700 -0.010 0.000 2.552 258 S HA 0.524 4.994 4.470 0.001 0.000 0.289 258 S C 0.287 174.859 174.600 -0.046 0.000 1.304 258 S CA 0.098 58.285 58.200 -0.021 0.000 1.063 258 S CB 0.731 63.927 63.200 -0.007 0.000 0.848 258 S HN 0.692 nan 8.310 nan 0.000 0.499 259 R N 1.995 122.457 120.500 -0.063 0.000 2.338 259 R HA 0.491 4.831 4.340 0.001 0.000 0.317 259 R C -1.242 174.969 176.300 -0.149 0.000 0.968 259 R CA -0.878 55.168 56.100 -0.089 0.000 0.849 259 R CB 1.240 31.501 30.300 -0.065 0.000 1.128 259 R HN 0.487 nan 8.270 nan 0.000 0.448 260 V N 5.836 125.616 119.914 -0.223 0.000 2.368 260 V HA 0.183 4.303 4.120 0.001 0.000 0.266 260 V C 0.400 176.354 176.094 -0.233 0.000 1.045 260 V CA -0.339 61.739 62.300 -0.370 0.000 0.899 260 V CB 0.542 31.948 31.823 -0.696 0.000 1.006 260 V HN 0.559 nan 8.190 nan 0.000 0.470 261 L N 4.487 125.606 121.223 -0.174 0.000 2.399 261 L HA 0.296 4.637 4.340 0.001 0.000 0.266 261 L C 1.396 178.224 176.870 -0.070 0.000 1.114 261 L CA -0.659 54.124 54.840 -0.095 0.000 0.804 261 L CB 0.811 42.836 42.059 -0.058 0.000 1.146 261 L HN 0.507 nan 8.230 nan 0.000 0.451 262 L N 1.803 123.012 121.223 -0.025 0.000 2.137 262 L HA -0.203 4.137 4.340 0.001 0.000 0.213 262 L C 2.578 179.469 176.870 0.036 0.000 1.085 262 L CA 1.765 56.616 54.840 0.017 0.000 0.760 262 L CB -0.784 41.302 42.059 0.045 0.000 0.893 262 L HN 0.630 nan 8.230 nan 0.000 0.434 263 R N -0.540 119.976 120.500 0.028 0.000 2.185 263 R HA -0.202 4.138 4.340 0.001 0.000 0.247 263 R C 1.366 177.694 176.300 0.047 0.000 1.159 263 R CA 1.892 58.015 56.100 0.039 0.000 0.988 263 R CB -0.275 30.039 30.300 0.024 0.000 0.871 263 R HN 0.595 nan 8.270 nan 0.000 0.458 264 D N -1.036 119.383 120.400 0.033 0.000 2.301 264 D HA -0.066 4.574 4.640 0.001 0.000 0.206 264 D C 1.703 178.091 176.300 0.146 0.000 0.979 264 D CA 0.991 55.035 54.000 0.075 0.000 0.874 264 D CB 0.331 41.137 40.800 0.011 0.000 0.968 264 D HN 0.280 nan 8.370 nan 0.000 0.510 265 V N -2.033 117.956 119.914 0.125 0.000 3.471 265 V HA 0.570 4.691 4.120 0.001 0.000 0.258 265 V C 0.681 176.846 176.094 0.119 0.000 1.192 265 V CA 0.162 62.553 62.300 0.152 0.000 1.116 265 V CB 0.006 31.930 31.823 0.169 0.000 0.792 265 V HN 0.068 nan 8.190 nan 0.000 0.459 266 A N 0.046 122.935 122.820 0.114 0.000 2.539 266 A HA 0.696 5.016 4.320 0.001 0.000 0.296 266 A C -0.700 176.966 177.584 0.136 0.000 1.073 266 A CA -0.861 51.257 52.037 0.135 0.000 0.700 266 A CB 1.719 20.795 19.000 0.126 0.000 1.296 266 A HN 0.252 nan 8.150 nan 0.000 0.405 267 K N 1.347 121.860 120.400 0.188 0.000 2.227 267 K HA 0.612 4.933 4.320 0.001 0.000 0.280 267 K C -1.348 175.376 176.600 0.206 0.000 1.041 267 K CA -0.174 56.226 56.287 0.188 0.000 0.905 267 K CB 0.374 32.994 32.500 0.200 0.000 1.068 267 K HN 0.557 nan 8.250 nan 0.000 0.470 268 I N 4.758 125.402 120.570 0.125 0.000 2.362 268 I HA 0.241 4.411 4.170 0.001 0.000 0.289 268 I C -0.712 175.432 176.117 0.045 0.000 0.994 268 I CA -0.292 61.038 61.300 0.049 0.000 1.158 268 I CB 1.522 39.541 38.000 0.031 0.000 1.315 268 I HN 0.679 nan 8.210 nan 0.000 0.451 269 E N 5.759 125.966 120.200 0.013 0.000 2.375 269 E HA 0.439 4.789 4.350 0.001 0.000 0.280 269 E C -1.563 174.976 176.600 -0.101 0.000 0.972 269 E CA -1.103 55.301 56.400 0.006 0.000 0.782 269 E CB 1.658 31.434 29.700 0.125 0.000 1.229 269 E HN 0.225 nan 8.360 nan 0.000 0.439 270 L N 2.280 123.387 121.223 -0.194 0.000 2.477 270 L HA 0.544 4.884 4.340 0.001 0.000 0.272 270 L C 0.301 176.939 176.870 -0.387 0.000 1.157 270 L CA 1.316 55.925 54.840 -0.385 0.000 0.889 270 L CB 0.492 42.224 42.059 -0.544 0.000 1.158 270 L HN 0.786 nan 8.230 nan 0.000 0.473 271 G N 2.489 111.180 108.800 -0.182 0.000 3.021 271 G HA2 0.606 4.566 3.960 0.001 0.000 0.290 271 G HA3 0.606 4.566 3.960 0.001 0.000 0.290 271 G C -0.624 174.415 174.900 0.232 0.000 1.291 271 G CA -0.314 44.887 45.100 0.170 0.000 0.834 271 G HN 0.791 nan 8.290 nan 0.000 0.564 272 G N -1.086 107.738 108.800 0.039 0.000 2.444 272 G HA2 0.417 4.377 3.960 0.001 0.000 0.268 272 G HA3 0.417 4.377 3.960 0.001 0.000 0.268 272 G C 0.532 175.255 174.900 -0.294 0.000 1.203 272 G CA 0.231 45.117 45.100 -0.358 0.000 0.835 272 G HN 0.645 nan 8.290 nan 0.000 0.543 273 E N 0.822 120.879 120.200 -0.239 0.000 2.051 273 E HA -0.118 4.232 4.350 0.001 0.000 0.192 273 E C 0.914 177.267 176.600 -0.411 0.000 0.991 273 E CA 1.179 57.400 56.400 -0.298 0.000 0.799 273 E CB 0.086 29.686 29.700 -0.167 0.000 0.748 273 E HN 0.702 nan 8.360 nan 0.000 0.449 274 N N -2.015 116.517 118.700 -0.280 0.000 2.525 274 N HA 0.024 4.764 4.740 0.001 0.000 0.270 274 N C -1.171 174.247 175.510 -0.155 0.000 1.321 274 N CA -0.569 52.401 53.050 -0.132 0.000 0.797 274 N CB 0.543 38.993 38.487 -0.062 0.000 1.529 274 N HN -0.052 nan 8.380 nan 0.000 0.491 275 Y N -0.294 120.021 120.300 0.024 0.000 2.720 275 Y HA 0.261 4.811 4.550 0.000 0.000 0.277 275 Y C 0.702 176.628 175.900 0.044 0.000 1.144 275 Y CA -0.472 57.656 58.100 0.046 0.000 1.221 275 Y CB 0.254 38.754 38.460 0.066 0.000 1.163 275 Y HN 0.483 nan 8.280 nan 0.000 0.537 276 D N 0.432 120.916 120.400 0.140 0.000 2.137 276 D HA 0.038 4.678 4.640 0.001 0.000 0.202 276 D C 0.360 176.730 176.300 0.118 0.000 0.970 276 D CA 1.207 55.282 54.000 0.125 0.000 0.837 276 D CB 0.533 41.402 40.800 0.115 0.000 0.981 276 D HN 0.238 nan 8.370 nan 0.000 0.475 277 I N 1.960 122.589 120.570 0.099 0.000 2.321 277 I HA 0.260 4.430 4.170 0.001 0.000 0.291 277 I C -0.180 175.983 176.117 0.075 0.000 0.998 277 I CA -0.607 60.761 61.300 0.114 0.000 1.227 277 I CB 1.410 39.488 38.000 0.130 0.000 1.368 277 I HN -0.133 nan 8.210 nan 0.000 0.466 278 I N 3.589 124.198 120.570 0.066 0.000 2.499 278 I HA 0.880 5.051 4.170 0.001 0.000 0.288 278 I C -0.251 175.848 176.117 -0.031 0.000 1.048 278 I CA -0.675 60.639 61.300 0.023 0.000 1.062 278 I CB 1.850 39.865 38.000 0.024 0.000 1.238 278 I HN 0.506 nan 8.210 nan 0.000 0.426 279 A N 4.208 126.980 122.820 -0.080 0.000 2.264 279 A HA 0.809 5.129 4.320 0.001 0.000 0.304 279 A C -0.526 176.858 177.584 -0.334 0.000 1.100 279 A CA -0.330 51.536 52.037 -0.285 0.000 0.839 279 A CB 1.273 20.095 19.000 -0.296 0.000 1.121 279 A HN 0.824 nan 8.150 nan 0.000 0.496 280 E N -0.823 119.037 120.200 -0.567 0.000 2.314 280 E HA 0.576 4.927 4.350 0.001 0.000 0.272 280 E C -2.053 174.317 176.600 -0.383 0.000 0.884 280 E CA -0.326 55.868 56.400 -0.342 0.000 0.753 280 E CB 1.669 31.240 29.700 -0.215 0.000 1.213 280 E HN 0.446 nan 8.360 nan 0.000 0.432 281 F N 4.216 124.022 119.950 -0.239 0.000 2.513 281 F HA 0.378 4.905 4.527 0.000 0.000 0.358 281 F C -0.383 175.408 175.800 -0.014 0.000 1.118 281 F CA -0.679 57.279 58.000 -0.071 0.000 1.037 281 F CB 0.298 39.326 39.000 0.047 0.000 1.276 281 F HN 0.717 nan 8.300 nan 0.000 0.446 282 N N 4.064 122.507 118.700 -0.429 0.000 2.716 282 N HA -0.219 4.522 4.740 0.001 0.000 0.250 282 N C 1.007 176.474 175.510 -0.072 0.000 1.033 282 N CA 0.935 53.800 53.050 -0.308 0.000 0.727 282 N CB -0.971 37.229 38.487 -0.479 0.000 0.950 282 N HN 1.216 nan 8.380 nan 0.000 0.541 283 G N -1.189 107.605 108.800 -0.011 0.000 2.241 283 G HA2 -0.387 3.573 3.960 0.001 0.000 0.244 283 G HA3 -0.387 3.573 3.960 0.001 0.000 0.244 283 G C -0.024 174.890 174.900 0.022 0.000 0.998 283 G CA 0.438 45.564 45.100 0.043 0.000 0.621 283 G HN 0.530 nan 8.290 nan 0.000 0.519 284 Q N 1.851 121.674 119.800 0.039 0.000 2.293 284 Q HA 0.444 4.784 4.340 0.001 0.000 0.251 284 Q C -2.137 173.887 176.000 0.041 0.000 0.930 284 Q CA -1.911 53.930 55.803 0.063 0.000 0.893 284 Q CB 1.334 30.150 28.738 0.130 0.000 1.215 284 Q HN 0.238 nan 8.270 nan 0.000 0.425 285 P HA 0.003 nan 4.420 nan 0.000 0.263 285 P C -1.565 175.735 177.300 -0.000 0.000 1.195 285 P CA 0.331 63.430 63.100 -0.002 0.000 0.762 285 P CB 0.688 32.387 31.700 -0.000 0.000 0.799 286 A N 2.528 125.331 122.820 -0.027 0.000 2.515 286 A HA 0.706 5.026 4.320 0.001 0.000 0.296 286 A C -0.522 177.061 177.584 -0.001 0.000 1.094 286 A CA -0.541 51.490 52.037 -0.011 0.000 0.718 286 A CB 1.838 20.835 19.000 -0.004 0.000 1.307 286 A HN 0.460 nan 8.150 nan 0.000 0.408 287 S N -1.114 114.615 115.700 0.049 0.000 2.704 287 S HA 0.949 5.419 4.470 0.001 0.000 0.296 287 S C -0.114 174.599 174.600 0.188 0.000 1.138 287 S CA 0.187 58.444 58.200 0.094 0.000 0.875 287 S CB 1.852 65.055 63.200 0.005 0.000 1.151 287 S HN 2.339 nan 8.310 nan 0.000 0.500 288 G N 0.174 109.090 108.800 0.194 0.000 2.430 288 G HA2 0.507 4.467 3.960 0.001 0.000 0.300 288 G HA3 0.507 4.467 3.960 0.001 0.000 0.300 288 G C -2.457 172.472 174.900 0.048 0.000 1.330 288 G CA -0.703 44.463 45.100 0.110 0.000 0.813 288 G HN 0.770 nan 8.290 nan 0.000 0.487 289 L N 0.307 121.485 121.223 -0.074 0.000 2.409 289 L HA 0.645 4.985 4.340 0.001 0.000 0.272 289 L C 0.493 177.197 176.870 -0.277 0.000 0.980 289 L CA -0.858 53.851 54.840 -0.217 0.000 0.826 289 L CB 2.540 44.501 42.059 -0.163 0.000 1.268 289 L HN 0.789 nan 8.230 nan 0.000 0.407 290 G N 3.759 112.224 108.800 -0.558 0.000 2.546 290 G HA2 0.557 4.518 3.960 0.001 0.000 0.320 290 G HA3 0.557 4.518 3.960 0.001 0.000 0.320 290 G C -0.493 174.226 174.900 -0.302 0.000 0.984 290 G CA -0.237 44.386 45.100 -0.795 0.000 1.183 290 G HN 0.344 nan 8.290 nan 0.000 0.443 291 I N 1.716 122.247 120.570 -0.064 0.000 2.371 291 I HA 0.239 4.409 4.170 0.001 0.000 0.290 291 I C 0.571 176.862 176.117 0.290 0.000 1.028 291 I CA -0.051 61.310 61.300 0.103 0.000 1.345 291 I CB 1.481 39.520 38.000 0.065 0.000 1.407 291 I HN 0.253 nan 8.210 nan 0.000 0.501 292 K N 5.446 126.015 120.400 0.282 0.000 2.123 292 K HA 0.478 4.798 4.320 0.001 0.000 0.259 292 K C -0.886 175.818 176.600 0.174 0.000 0.960 292 K CA -0.881 55.566 56.287 0.268 0.000 0.872 292 K CB 1.481 34.123 32.500 0.237 0.000 1.079 292 K HN 0.420 nan 8.250 nan 0.000 0.440 293 L N 3.376 124.696 121.223 0.163 0.000 2.278 293 L HA 0.289 4.630 4.340 0.001 0.000 0.287 293 L C -0.295 176.637 176.870 0.103 0.000 1.072 293 L CA 0.030 54.946 54.840 0.126 0.000 0.819 293 L CB 0.556 42.695 42.059 0.133 0.000 1.176 293 L HN 0.796 nan 8.230 nan 0.000 0.435 294 A N 4.092 126.962 122.820 0.084 0.000 2.498 294 A HA 0.233 4.553 4.320 0.001 0.000 0.239 294 A C 0.542 178.163 177.584 0.061 0.000 1.068 294 A CA -0.124 51.953 52.037 0.067 0.000 0.766 294 A CB -0.200 18.831 19.000 0.053 0.000 1.003 294 A HN 0.812 nan 8.150 nan 0.000 0.497 295 T N 1.893 116.479 114.554 0.052 0.000 2.792 295 T HA 0.410 4.760 4.350 0.001 0.000 0.286 295 T C 1.523 176.245 174.700 0.037 0.000 0.970 295 T CA 1.253 63.380 62.100 0.046 0.000 1.187 295 T CB 0.120 69.008 68.868 0.033 0.000 0.915 295 T HN 1.990 nan 8.240 nan 0.000 0.529 296 G N 2.507 111.333 108.800 0.043 0.000 2.279 296 G HA2 -0.094 3.866 3.960 0.001 0.000 0.223 296 G HA3 -0.094 3.866 3.960 0.001 0.000 0.223 296 G C 0.373 175.297 174.900 0.039 0.000 1.015 296 G CA -0.176 44.944 45.100 0.034 0.000 0.621 296 G HN 1.158 nan 8.290 nan 0.000 0.506 297 A N 0.414 123.261 122.820 0.045 0.000 2.445 297 A HA 0.539 4.859 4.320 0.001 0.000 0.242 297 A C 0.567 178.184 177.584 0.056 0.000 1.075 297 A CA 0.475 52.540 52.037 0.046 0.000 0.777 297 A CB 0.225 19.254 19.000 0.048 0.000 1.013 297 A HN 0.703 nan 8.150 nan 0.000 0.493 298 N N 1.616 120.345 118.700 0.049 0.000 2.452 298 N HA 0.195 4.935 4.740 0.001 0.000 0.266 298 N C 1.174 176.721 175.510 0.061 0.000 1.209 298 N CA 0.599 53.681 53.050 0.053 0.000 0.929 298 N CB 1.030 39.542 38.487 0.041 0.000 1.063 298 N HN 0.615 nan 8.380 nan 0.000 0.472 299 A N 4.468 127.333 122.820 0.075 0.000 1.908 299 A HA -0.188 4.132 4.320 0.001 0.000 0.218 299 A C 1.941 179.566 177.584 0.068 0.000 1.181 299 A CA 1.049 53.137 52.037 0.086 0.000 0.627 299 A CB -0.473 18.591 19.000 0.108 0.000 0.818 299 A HN 0.649 nan 8.150 nan 0.000 0.445 300 L N 0.096 121.350 121.223 0.052 0.000 1.988 300 L HA -0.130 4.210 4.340 0.001 0.000 0.207 300 L C 1.797 178.684 176.870 0.029 0.000 1.071 300 L CA 2.391 57.252 54.840 0.034 0.000 0.744 300 L CB -0.846 41.224 42.059 0.019 0.000 0.893 300 L HN 0.345 nan 8.230 nan 0.000 0.433 301 D N -1.376 119.041 120.400 0.028 0.000 2.149 301 D HA -0.160 4.481 4.640 0.001 0.000 0.198 301 D C 2.049 178.366 176.300 0.028 0.000 0.990 301 D CA 1.680 55.694 54.000 0.023 0.000 0.839 301 D CB -0.214 40.600 40.800 0.023 0.000 0.948 301 D HN 0.347 nan 8.370 nan 0.000 0.460 302 T N 0.608 115.185 114.554 0.039 0.000 2.674 302 T HA -0.111 4.239 4.350 0.001 0.000 0.265 302 T C 2.051 176.777 174.700 0.045 0.000 1.039 302 T CA 1.593 63.720 62.100 0.045 0.000 1.150 302 T CB -0.393 68.510 68.868 0.058 0.000 0.864 302 T HN 0.200 nan 8.240 nan 0.000 0.427 303 A N 1.695 124.544 122.820 0.048 0.000 1.892 303 A HA 0.004 4.324 4.320 0.001 0.000 0.218 303 A C 2.665 180.263 177.584 0.024 0.000 1.188 303 A CA 2.173 54.235 52.037 0.043 0.000 0.631 303 A CB -1.287 17.738 19.000 0.041 0.000 0.822 303 A HN 0.525 nan 8.150 nan 0.000 0.447 304 A N -0.175 122.654 122.820 0.015 0.000 1.873 304 A HA 0.053 4.374 4.320 0.001 0.000 0.218 304 A C 2.559 180.149 177.584 0.010 0.000 1.193 304 A CA 2.622 54.661 52.037 0.004 0.000 0.629 304 A CB -1.205 17.796 19.000 0.001 0.000 0.826 304 A HN 1.229 nan 8.150 nan 0.000 0.447 305 A N -0.362 122.469 122.820 0.018 0.000 1.933 305 A HA -0.097 4.223 4.320 0.001 0.000 0.218 305 A C 2.134 179.736 177.584 0.029 0.000 1.175 305 A CA 1.586 53.636 52.037 0.022 0.000 0.628 305 A CB -0.632 18.382 19.000 0.024 0.000 0.814 305 A HN 0.523 nan 8.150 nan 0.000 0.444 306 I N -1.306 119.286 120.570 0.037 0.000 2.179 306 I HA -0.235 3.935 4.170 0.001 0.000 0.242 306 I C 2.703 178.855 176.117 0.057 0.000 1.088 306 I CA 1.468 62.797 61.300 0.050 0.000 1.357 306 I CB -0.214 37.821 38.000 0.059 0.000 1.051 306 I HN 0.192 nan 8.210 nan 0.000 0.409 307 R N 1.301 121.827 120.500 0.043 0.000 2.075 307 R HA -0.042 4.299 4.340 0.001 0.000 0.232 307 R C 2.164 178.481 176.300 0.028 0.000 1.126 307 R CA 1.720 57.842 56.100 0.036 0.000 0.963 307 R CB -0.893 29.396 30.300 -0.018 0.000 0.858 307 R HN 0.370 nan 8.270 nan 0.000 0.435 308 A N 0.164 122.993 122.820 0.016 0.000 1.873 308 A HA -0.143 4.177 4.320 0.001 0.000 0.215 308 A C 2.068 179.664 177.584 0.021 0.000 1.186 308 A CA 1.694 53.738 52.037 0.011 0.000 0.616 308 A CB -0.579 18.425 19.000 0.007 0.000 0.823 308 A HN 0.364 nan 8.150 nan 0.000 0.442 309 E N -0.317 119.903 120.200 0.033 0.000 2.118 309 E HA -0.164 4.187 4.350 0.001 0.000 0.195 309 E C 1.684 178.317 176.600 0.056 0.000 0.992 309 E CA 0.995 57.421 56.400 0.043 0.000 0.804 309 E CB -0.317 29.409 29.700 0.043 0.000 0.741 309 E HN 0.335 nan 8.360 nan 0.000 0.458 310 L N 0.078 121.339 121.223 0.063 0.000 2.141 310 L HA 0.046 4.386 4.340 0.001 0.000 0.209 310 L C 2.235 179.111 176.870 0.010 0.000 1.094 310 L CA 1.759 56.646 54.840 0.078 0.000 0.763 310 L CB -1.370 40.763 42.059 0.124 0.000 0.908 310 L HN 0.235 nan 8.230 nan 0.000 0.437 311 A N -1.268 121.549 122.820 -0.005 0.000 1.933 311 A HA -0.183 4.138 4.320 0.001 0.000 0.218 311 A C 2.243 179.779 177.584 -0.081 0.000 1.175 311 A CA 1.211 53.213 52.037 -0.059 0.000 0.628 311 A CB -0.361 18.615 19.000 -0.039 0.000 0.814 311 A HN 0.230 nan 8.150 nan 0.000 0.444 312 K N -1.047 119.345 120.400 -0.013 0.000 2.442 312 K HA 0.017 4.337 4.320 0.001 0.000 0.198 312 K C 1.567 178.239 176.600 0.121 0.000 1.044 312 K CA 1.025 57.339 56.287 0.045 0.000 0.948 312 K CB -0.200 32.349 32.500 0.082 0.000 0.762 312 K HN 0.606 nan 8.250 nan 0.000 0.472 313 M N -0.741 118.886 119.600 0.046 0.000 2.545 313 M HA -0.014 4.467 4.480 0.001 0.000 0.264 313 M C 1.565 177.716 176.300 -0.248 0.000 1.155 313 M CA 0.652 56.033 55.300 0.136 0.000 1.162 313 M CB 0.184 32.923 32.600 0.232 0.000 1.330 313 M HN 0.019 nan 8.290 nan 0.000 0.479 314 E N 0.793 120.591 120.200 -0.669 0.000 2.097 314 E HA -0.204 4.146 4.350 0.001 0.000 0.196 314 E C -0.996 175.164 176.600 -0.732 0.000 1.000 314 E CA 1.275 56.975 56.400 -1.166 0.000 0.804 314 E CB -1.070 28.195 29.700 -0.724 0.000 0.740 314 E HN 0.376 nan 8.360 nan 0.000 0.454 315 P HA -0.114 nan 4.420 nan 0.000 0.239 315 P C 0.032 176.951 177.300 -0.635 0.000 1.184 315 P CA 1.071 63.773 63.100 -0.663 0.000 0.760 315 P CB -0.082 31.108 31.700 -0.850 0.000 0.884 316 F N -3.702 116.248 119.950 0.001 0.000 2.688 316 F HA 0.269 4.796 4.527 0.000 0.000 0.310 316 F C 0.826 176.814 175.800 0.314 0.000 1.098 316 F CA -0.848 57.234 58.000 0.136 0.000 1.228 316 F CB -0.077 39.008 39.000 0.142 0.000 1.042 316 F HN -0.271 nan 8.300 nan 0.000 0.557 317 F N 3.781 123.802 119.950 0.118 0.000 2.506 317 F HA 0.227 4.755 4.527 0.001 0.000 0.351 317 F C -1.317 174.432 175.800 -0.085 0.000 1.136 317 F CA -3.384 54.587 58.000 -0.050 0.000 1.298 317 F CB -0.300 38.631 39.000 -0.115 0.000 1.145 317 F HN -0.118 nan 8.300 nan 0.000 0.593 318 P HA 0.029 nan 4.420 nan 0.000 0.274 318 P C -0.481 176.802 177.300 -0.029 0.000 1.256 318 P CA -0.439 62.632 63.100 -0.049 0.000 0.795 318 P CB 0.524 32.137 31.700 -0.145 0.000 1.038 319 S N -0.121 115.574 115.700 -0.010 0.000 2.593 319 S HA 0.219 4.690 4.470 0.001 0.000 0.300 319 S C 1.257 175.841 174.600 -0.027 0.000 1.267 319 S CA 0.882 59.079 58.200 -0.005 0.000 1.065 319 S CB -1.599 61.601 63.200 0.000 0.000 0.807 319 S HN 0.956 nan 8.310 nan 0.000 0.499 320 G N 3.966 112.760 108.800 -0.010 0.000 2.273 320 G HA2 -0.197 3.764 3.960 0.001 0.000 0.280 320 G HA3 -0.197 3.764 3.960 0.001 0.000 0.280 320 G C -0.140 174.728 174.900 -0.053 0.000 1.047 320 G CA 0.240 45.329 45.100 -0.019 0.000 0.869 320 G HN 0.735 nan 8.290 nan 0.000 0.502 321 L N -0.332 120.858 121.223 -0.056 0.000 2.289 321 L HA 0.645 4.986 4.340 0.001 0.000 0.285 321 L C 0.312 177.197 176.870 0.025 0.000 1.049 321 L CA -0.554 54.191 54.840 -0.159 0.000 0.804 321 L CB 1.648 43.394 42.059 -0.522 0.000 1.195 321 L HN 0.227 nan 8.230 nan 0.000 0.428 322 K N 4.699 125.067 120.400 -0.054 0.000 2.507 322 K HA 0.491 4.812 4.320 0.001 0.000 0.251 322 K C -1.057 175.496 176.600 -0.079 0.000 0.943 322 K CA -0.631 55.660 56.287 0.007 0.000 0.794 322 K CB 1.813 34.295 32.500 -0.030 0.000 1.188 322 K HN 0.471 nan 8.250 nan 0.000 0.428 323 I N 5.105 125.657 120.570 -0.031 0.000 2.416 323 I HA 0.147 4.317 4.170 0.001 0.000 0.288 323 I C 0.246 176.052 176.117 -0.519 0.000 1.051 323 I CA -0.708 60.434 61.300 -0.263 0.000 1.375 323 I CB 1.041 38.921 38.000 -0.201 0.000 1.407 323 I HN 0.284 nan 8.210 nan 0.000 0.516 324 V N 3.934 123.431 119.914 -0.695 0.000 2.919 324 V HA 0.504 4.624 4.120 0.001 0.000 0.316 324 V C -1.157 174.426 176.094 -0.853 0.000 1.077 324 V CA -0.743 61.117 62.300 -0.732 0.000 0.977 324 V CB 1.689 32.929 31.823 -0.972 0.000 1.039 324 V HN 0.532 nan 8.190 nan 0.000 0.441 325 Y N 2.360 122.566 120.300 -0.157 0.000 2.837 325 Y HA 0.508 5.059 4.550 0.000 0.000 0.356 325 Y C -1.911 173.978 175.900 -0.019 0.000 1.035 325 Y CA -1.838 56.205 58.100 -0.096 0.000 1.165 325 Y CB 1.298 39.727 38.460 -0.053 0.000 1.147 325 Y HN 0.555 nan 8.280 nan 0.000 0.628 326 P HA 0.021 nan 4.420 nan 0.000 0.253 326 P C -0.867 176.538 177.300 0.175 0.000 1.260 326 P CA 0.497 63.723 63.100 0.211 0.000 0.800 326 P CB 0.307 32.191 31.700 0.307 0.000 1.162 327 Y N -0.019 120.240 120.300 -0.068 0.000 2.294 327 Y HA 0.443 4.993 4.550 0.000 0.000 0.316 327 Y C -2.086 173.810 175.900 -0.008 0.000 1.265 327 Y CA -0.974 57.093 58.100 -0.055 0.000 1.149 327 Y CB 1.073 39.415 38.460 -0.196 0.000 1.293 327 Y HN -0.250 nan 8.280 nan 0.000 0.416 328 D N 2.969 123.212 120.400 -0.262 0.000 2.726 328 D HA 0.164 4.804 4.640 0.001 0.000 0.203 328 D C 0.123 176.361 176.300 -0.104 0.000 1.297 328 D CA 0.315 54.258 54.000 -0.095 0.000 0.863 328 D CB 1.610 42.414 40.800 0.007 0.000 1.669 328 D HN 0.568 nan 8.370 nan 0.000 0.561 329 T N -0.464 114.080 114.554 -0.016 0.000 3.129 329 T HA 0.041 4.391 4.350 0.001 0.000 0.251 329 T C 1.482 176.293 174.700 0.186 0.000 1.117 329 T CA 0.795 62.953 62.100 0.096 0.000 1.034 329 T CB 0.004 68.955 68.868 0.138 0.000 0.968 329 T HN 0.274 nan 8.240 nan 0.000 0.526 330 T N 3.244 117.872 114.554 0.124 0.000 2.643 330 T HA -0.036 4.314 4.350 0.001 0.000 0.264 330 T C -0.471 174.310 174.700 0.135 0.000 1.045 330 T CA 1.438 63.601 62.100 0.106 0.000 1.155 330 T CB -1.448 67.453 68.868 0.054 0.000 0.863 330 T HN 0.383 nan 8.240 nan 0.000 0.420 331 P HA -0.179 nan 4.420 nan 0.000 0.218 331 P C 1.393 178.918 177.300 0.376 0.000 1.154 331 P CA 1.277 64.524 63.100 0.245 0.000 0.872 331 P CB -0.260 31.593 31.700 0.255 0.000 0.790 332 F N 1.062 121.194 119.950 0.303 0.000 2.060 332 F HA -0.168 4.359 4.527 0.001 0.000 0.295 332 F C 2.189 177.991 175.800 0.003 0.000 1.120 332 F CA 1.309 59.423 58.000 0.191 0.000 1.205 332 F CB -1.140 38.011 39.000 0.251 0.000 0.986 332 F HN -0.331 nan 8.300 nan 0.000 0.470 333 V N 1.031 120.899 119.914 -0.077 0.000 2.317 333 V HA -0.400 3.720 4.120 0.001 0.000 0.251 333 V C 2.448 178.393 176.094 -0.249 0.000 1.065 333 V CA 2.514 64.681 62.300 -0.222 0.000 1.049 333 V CB -0.884 30.932 31.823 -0.011 0.000 0.651 333 V HN 0.339 nan 8.190 nan 0.000 0.450 334 K N -0.650 119.675 120.400 -0.124 0.000 2.025 334 K HA -0.093 4.227 4.320 0.001 0.000 0.207 334 K C 2.121 178.640 176.600 -0.134 0.000 1.049 334 K CA 1.782 58.012 56.287 -0.095 0.000 0.933 334 K CB -0.264 32.220 32.500 -0.027 0.000 0.714 334 K HN 0.411 nan 8.250 nan 0.000 0.438 335 I N 0.763 121.221 120.570 -0.186 0.000 2.546 335 I HA -0.220 3.950 4.170 0.001 0.000 0.255 335 I C 1.698 177.610 176.117 -0.341 0.000 1.163 335 I CA 0.790 61.955 61.300 -0.225 0.000 1.457 335 I CB 0.147 37.943 38.000 -0.340 0.000 1.092 335 I HN 0.061 nan 8.210 nan 0.000 0.434 336 S N 0.898 116.267 115.700 -0.552 0.000 2.353 336 S HA -0.199 4.272 4.470 0.001 0.000 0.222 336 S C 1.907 176.301 174.600 -0.343 0.000 1.035 336 S CA 1.825 59.678 58.200 -0.577 0.000 1.025 336 S CB -0.364 62.334 63.200 -0.838 0.000 0.902 336 S HN 0.411 nan 8.310 nan 0.000 0.440 337 I N 0.716 121.119 120.570 -0.279 0.000 2.226 337 I HA -0.213 3.958 4.170 0.001 0.000 0.245 337 I C 2.455 178.501 176.117 -0.118 0.000 1.100 337 I CA 1.610 62.794 61.300 -0.194 0.000 1.374 337 I CB -0.393 37.518 38.000 -0.149 0.000 1.057 337 I HN 0.350 nan 8.210 nan 0.000 0.413 338 H N 1.187 120.158 119.070 -0.164 0.000 2.353 338 H HA -0.198 4.358 4.556 0.001 0.000 0.298 338 H C 2.055 177.313 175.328 -0.116 0.000 1.103 338 H CA 1.853 57.828 56.048 -0.122 0.000 1.293 338 H CB 0.043 29.737 29.762 -0.113 0.000 1.372 338 H HN 0.206 nan 8.280 nan 0.000 0.501 339 E N -0.033 119.981 120.200 -0.310 0.000 2.106 339 E HA -0.096 4.254 4.350 0.001 0.000 0.192 339 E C 2.590 179.064 176.600 -0.211 0.000 0.984 339 E CA 1.134 57.348 56.400 -0.310 0.000 0.806 339 E CB -0.265 29.303 29.700 -0.221 0.000 0.750 339 E HN 0.425 nan 8.360 nan 0.000 0.458 340 V N 0.945 120.759 119.914 -0.167 0.000 2.358 340 V HA -0.179 3.942 4.120 0.001 0.000 0.246 340 V C 2.578 178.611 176.094 -0.101 0.000 1.047 340 V CA 1.095 63.334 62.300 -0.101 0.000 1.035 340 V CB -0.517 31.195 31.823 -0.185 0.000 0.658 340 V HN 0.047 nan 8.190 nan 0.000 0.452 341 V N -0.014 119.825 119.914 -0.125 0.000 2.469 341 V HA -0.304 3.817 4.120 0.001 0.000 0.251 341 V C 2.437 178.465 176.094 -0.110 0.000 1.064 341 V CA 2.284 64.532 62.300 -0.086 0.000 1.066 341 V CB -0.679 31.112 31.823 -0.052 0.000 0.667 341 V HN 0.541 nan 8.190 nan 0.000 0.461 342 K N -0.342 119.934 120.400 -0.206 0.000 2.057 342 K HA -0.162 4.159 4.320 0.001 0.000 0.206 342 K C 2.212 178.750 176.600 -0.103 0.000 1.050 342 K CA 1.811 57.985 56.287 -0.188 0.000 0.935 342 K CB -0.219 32.101 32.500 -0.300 0.000 0.715 342 K HN 0.492 nan 8.250 nan 0.000 0.439 343 T N 2.249 116.750 114.554 -0.088 0.000 2.777 343 T HA -0.129 4.221 4.350 0.001 0.000 0.266 343 T C 1.577 176.261 174.700 -0.028 0.000 1.040 343 T CA 0.777 62.850 62.100 -0.045 0.000 1.141 343 T CB -0.126 68.732 68.868 -0.017 0.000 0.868 343 T HN 0.108 nan 8.240 nan 0.000 0.444 344 L N 1.500 122.709 121.223 -0.023 0.000 1.989 344 L HA -0.095 4.245 4.340 0.001 0.000 0.211 344 L C 2.549 179.416 176.870 -0.004 0.000 1.071 344 L CA 1.785 56.621 54.840 -0.006 0.000 0.749 344 L CB -1.204 40.857 42.059 0.003 0.000 0.890 344 L HN 0.152 nan 8.230 nan 0.000 0.431 345 V N 0.103 120.008 119.914 -0.015 0.000 2.295 345 V HA -0.295 3.825 4.120 0.001 0.000 0.246 345 V C 2.512 178.602 176.094 -0.008 0.000 1.049 345 V CA 1.894 64.187 62.300 -0.011 0.000 1.024 345 V CB -0.492 31.318 31.823 -0.021 0.000 0.648 345 V HN 0.463 nan 8.190 nan 0.000 0.447 346 E N 0.045 120.235 120.200 -0.016 0.000 2.160 346 E HA -0.197 4.153 4.350 0.001 0.000 0.195 346 E C 2.274 178.876 176.600 0.003 0.000 0.991 346 E CA 1.283 57.679 56.400 -0.007 0.000 0.810 346 E CB -0.358 29.331 29.700 -0.017 0.000 0.742 346 E HN 0.624 nan 8.360 nan 0.000 0.466 347 A N 1.096 123.914 122.820 -0.003 0.000 1.858 347 A HA -0.195 4.125 4.320 0.001 0.000 0.216 347 A C 2.190 179.790 177.584 0.028 0.000 1.190 347 A CA 1.274 53.310 52.037 -0.001 0.000 0.617 347 A CB -0.653 18.338 19.000 -0.015 0.000 0.827 347 A HN 0.151 nan 8.150 nan 0.000 0.443 348 I N -0.339 120.251 120.570 0.033 0.000 2.163 348 I HA -0.288 3.882 4.170 0.001 0.000 0.243 348 I C 2.337 178.509 176.117 0.091 0.000 1.085 348 I CA 1.546 62.880 61.300 0.057 0.000 1.347 348 I CB -0.416 37.606 38.000 0.036 0.000 1.044 348 I HN 0.293 nan 8.210 nan 0.000 0.408 349 I N 0.036 120.644 120.570 0.063 0.000 2.208 349 I HA -0.299 3.871 4.170 0.001 0.000 0.245 349 I C 2.400 178.614 176.117 0.162 0.000 1.097 349 I CA 1.360 62.716 61.300 0.093 0.000 1.363 349 I CB -0.180 37.843 38.000 0.039 0.000 1.051 349 I HN 0.194 nan 8.210 nan 0.000 0.413 350 L N -0.329 120.953 121.223 0.099 0.000 2.072 350 L HA -0.130 4.210 4.340 0.001 0.000 0.205 350 L C 2.396 179.320 176.870 0.091 0.000 1.079 350 L CA 1.385 56.274 54.840 0.083 0.000 0.752 350 L CB -0.562 41.522 42.059 0.042 0.000 0.906 350 L HN -0.008 nan 8.230 nan 0.000 0.436 351 V N -0.734 119.236 119.914 0.093 0.000 2.392 351 V HA -0.332 3.788 4.120 0.001 0.000 0.249 351 V C 2.286 178.450 176.094 0.116 0.000 1.059 351 V CA 1.899 64.252 62.300 0.089 0.000 1.051 351 V CB -0.803 31.070 31.823 0.084 0.000 0.658 351 V HN 0.437 nan 8.190 nan 0.000 0.455 352 F N 0.549 120.512 119.950 0.021 0.000 2.126 352 F HA -0.191 4.336 4.527 0.000 0.000 0.299 352 F C 1.945 177.764 175.800 0.033 0.000 1.096 352 F CA 1.782 59.795 58.000 0.023 0.000 1.255 352 F CB -0.228 38.776 39.000 0.007 0.000 0.997 352 F HN 0.057 nan 8.300 nan 0.000 0.479 353 L N -0.701 120.485 121.223 -0.062 0.000 2.313 353 L HA -0.110 4.230 4.340 0.001 0.000 0.214 353 L C 2.154 178.981 176.870 -0.072 0.000 1.119 353 L CA 0.282 55.034 54.840 -0.146 0.000 0.809 353 L CB -0.409 41.654 42.059 0.008 0.000 0.933 353 L HN 0.043 nan 8.230 nan 0.000 0.449 354 V N -0.599 119.307 119.914 -0.012 0.000 2.323 354 V HA -0.273 3.848 4.120 0.001 0.000 0.244 354 V C 2.420 178.543 176.094 0.049 0.000 1.041 354 V CA 1.716 64.046 62.300 0.050 0.000 1.025 354 V CB -0.425 31.437 31.823 0.065 0.000 0.656 354 V HN 0.366 nan 8.190 nan 0.000 0.451 355 M N -1.231 118.345 119.600 -0.041 0.000 2.117 355 M HA -0.206 4.275 4.480 0.001 0.000 0.262 355 M C 2.306 178.529 176.300 -0.128 0.000 1.065 355 M CA 2.272 57.523 55.300 -0.081 0.000 1.114 355 M CB -0.555 31.991 32.600 -0.090 0.000 1.361 355 M HN 0.418 nan 8.290 nan 0.000 0.408 356 Y N 1.054 121.111 120.300 -0.405 0.000 2.163 356 Y HA -0.102 4.449 4.550 0.000 0.000 0.288 356 Y C 1.535 177.253 175.900 -0.303 0.000 1.136 356 Y CA 1.342 59.155 58.100 -0.478 0.000 1.147 356 Y CB -0.049 37.912 38.460 -0.832 0.000 0.987 356 Y HN 0.043 nan 8.280 nan 0.000 0.509 357 L N 0.062 121.239 121.223 -0.076 0.000 2.801 357 L HA -0.043 4.297 4.340 0.001 0.000 0.250 357 L C 0.364 177.092 176.870 -0.236 0.000 1.222 357 L CA 0.628 55.357 54.840 -0.184 0.000 1.054 357 L CB -0.594 41.379 42.059 -0.143 0.000 1.330 357 L HN 0.332 nan 8.230 nan 0.000 0.426 358 F N -2.298 117.478 119.950 -0.289 0.000 2.495 358 F HA 0.141 4.669 4.527 0.000 0.000 0.326 358 F C 1.514 177.149 175.800 -0.275 0.000 0.815 358 F CA -0.045 57.791 58.000 -0.273 0.000 1.045 358 F CB 0.584 39.441 39.000 -0.240 0.000 0.946 358 F HN -0.165 nan 8.300 nan 0.000 0.683 359 L N 0.650 121.817 121.223 -0.092 0.000 2.513 359 L HA 0.077 4.417 4.340 0.001 0.000 0.222 359 L C 0.424 177.092 176.870 -0.336 0.000 1.096 359 L CA 0.338 55.075 54.840 -0.171 0.000 0.857 359 L CB -0.295 41.667 42.059 -0.162 0.000 1.026 359 L HN 0.157 nan 8.230 nan 0.000 0.469 360 Q N 0.823 120.267 119.800 -0.594 0.000 2.395 360 Q HA -0.293 4.048 4.340 0.001 0.000 0.326 360 Q C -0.329 175.247 176.000 -0.707 0.000 1.302 360 Q CA 0.781 56.084 55.803 -0.834 0.000 0.949 360 Q CB -2.400 26.079 28.738 -0.432 0.000 1.204 360 Q HN 0.724 nan 8.270 nan 0.000 0.444 361 N N -1.203 117.035 118.700 -0.770 0.000 2.554 361 N HA 0.218 4.958 4.740 0.001 0.000 0.271 361 N C -0.466 175.025 175.510 -0.031 0.000 1.081 361 N CA -0.549 52.346 53.050 -0.260 0.000 0.994 361 N CB 0.788 39.206 38.487 -0.115 0.000 1.641 361 N HN 0.019 nan 8.380 nan 0.000 0.511 362 F N 2.526 122.622 119.950 0.244 0.000 2.026 362 F HA -0.151 4.376 4.527 0.001 0.000 0.296 362 F C 2.557 178.483 175.800 0.209 0.000 1.133 362 F CA 1.682 59.886 58.000 0.340 0.000 1.188 362 F CB 0.060 39.222 39.000 0.270 0.000 0.968 362 F HN 0.566 nan 8.300 nan 0.000 0.476 363 R N 0.455 121.161 120.500 0.342 0.000 2.241 363 R HA -0.032 4.309 4.340 0.001 0.000 0.224 363 R C 1.908 178.295 176.300 0.145 0.000 1.101 363 R CA 1.112 57.340 56.100 0.214 0.000 0.995 363 R CB -0.966 29.425 30.300 0.151 0.000 0.870 363 R HN 0.326 nan 8.270 nan 0.000 0.463 364 A N 1.646 124.527 122.820 0.102 0.000 1.943 364 A HA -0.070 4.251 4.320 0.001 0.000 0.213 364 A C 2.274 179.878 177.584 0.034 0.000 1.181 364 A CA 1.219 53.278 52.037 0.036 0.000 0.653 364 A CB -0.362 18.622 19.000 -0.026 0.000 0.833 364 A HN 0.476 nan 8.150 nan 0.000 0.451 365 T N -2.430 112.153 114.554 0.050 0.000 3.067 365 T HA 0.156 4.506 4.350 0.001 0.000 0.257 365 T C 1.744 176.557 174.700 0.188 0.000 1.105 365 T CA 0.732 62.864 62.100 0.053 0.000 1.104 365 T CB -0.345 68.491 68.868 -0.054 0.000 0.925 365 T HN 0.206 nan 8.240 nan 0.000 0.498 366 L N 0.200 121.575 121.223 0.252 0.000 2.131 366 L HA 0.066 4.406 4.340 0.001 0.000 0.210 366 L C 2.507 179.481 176.870 0.174 0.000 1.092 366 L CA 1.062 56.062 54.840 0.267 0.000 0.759 366 L CB -0.450 41.776 42.059 0.277 0.000 0.903 366 L HN 0.298 nan 8.230 nan 0.000 0.435 367 I N 0.057 120.701 120.570 0.123 0.000 2.099 367 I HA -0.238 3.932 4.170 0.001 0.000 0.239 367 I C -0.429 175.714 176.117 0.044 0.000 1.066 367 I CA 1.544 62.884 61.300 0.066 0.000 1.324 367 I CB -1.556 36.466 38.000 0.036 0.000 1.037 367 I HN 0.224 nan 8.210 nan 0.000 0.401 368 P HA -0.059 nan 4.420 nan 0.000 0.222 368 P C 1.444 178.785 177.300 0.068 0.000 1.153 368 P CA 1.268 64.391 63.100 0.038 0.000 0.798 368 P CB -0.166 31.549 31.700 0.025 0.000 0.796 369 T N -0.603 114.021 114.554 0.118 0.000 2.962 369 T HA -0.013 4.337 4.350 0.001 0.000 0.270 369 T C 1.675 176.439 174.700 0.107 0.000 1.088 369 T CA 0.787 62.975 62.100 0.147 0.000 1.127 369 T CB -0.744 68.274 68.868 0.250 0.000 0.883 369 T HN 0.112 nan 8.240 nan 0.000 0.493 370 I N 1.277 121.902 120.570 0.092 0.000 2.546 370 I HA -0.087 4.083 4.170 0.001 0.000 0.255 370 I C 2.741 178.880 176.117 0.037 0.000 1.163 370 I CA 0.593 61.938 61.300 0.075 0.000 1.457 370 I CB -0.287 37.748 38.000 0.057 0.000 1.092 370 I HN 0.191 nan 8.210 nan 0.000 0.434 371 A N 0.360 123.193 122.820 0.022 0.000 2.015 371 A HA -0.112 4.209 4.320 0.001 0.000 0.219 371 A C 2.378 179.982 177.584 0.033 0.000 1.163 371 A CA 1.274 53.318 52.037 0.012 0.000 0.646 371 A CB -0.723 18.280 19.000 0.006 0.000 0.806 371 A HN 0.231 nan 8.150 nan 0.000 0.448 372 V N 1.245 121.189 119.914 0.049 0.000 2.231 372 V HA -0.202 3.918 4.120 0.001 0.000 0.248 372 V C 0.131 176.262 176.094 0.062 0.000 1.054 372 V CA 2.549 64.882 62.300 0.055 0.000 1.015 372 V CB -1.812 30.049 31.823 0.063 0.000 0.638 372 V HN 0.469 nan 8.190 nan 0.000 0.444 373 P HA -0.068 nan 4.420 nan 0.000 0.215 373 P C 1.949 179.298 177.300 0.082 0.000 1.157 373 P CA 1.407 64.554 63.100 0.079 0.000 0.859 373 P CB -0.161 31.585 31.700 0.077 0.000 0.786 374 V N 0.481 120.436 119.914 0.068 0.000 2.252 374 V HA -0.226 3.894 4.120 0.001 0.000 0.249 374 V C 2.837 178.963 176.094 0.054 0.000 1.056 374 V CA 2.052 64.387 62.300 0.058 0.000 1.022 374 V CB -1.374 30.465 31.823 0.026 0.000 0.641 374 V HN -0.064 nan 8.190 nan 0.000 0.445 375 V N -0.475 119.462 119.914 0.039 0.000 2.270 375 V HA -0.235 3.886 4.120 0.001 0.000 0.245 375 V C 2.307 178.419 176.094 0.030 0.000 1.043 375 V CA 2.046 64.360 62.300 0.024 0.000 1.014 375 V CB -0.548 31.281 31.823 0.009 0.000 0.645 375 V HN 0.411 nan 8.190 nan 0.000 0.447 376 L N -0.671 120.581 121.223 0.049 0.000 1.989 376 L HA -0.227 4.113 4.340 0.001 0.000 0.211 376 L C 2.477 179.472 176.870 0.208 0.000 1.071 376 L CA 1.712 56.592 54.840 0.066 0.000 0.749 376 L CB -0.631 41.498 42.059 0.118 0.000 0.890 376 L HN 0.289 nan 8.230 nan 0.000 0.431 377 L N -0.516 120.850 121.223 0.239 0.000 2.042 377 L HA -0.188 4.153 4.340 0.001 0.000 0.210 377 L C 2.687 179.684 176.870 0.211 0.000 1.076 377 L CA 1.483 56.483 54.840 0.266 0.000 0.749 377 L CB -1.247 40.895 42.059 0.139 0.000 0.893 377 L HN 0.368 nan 8.230 nan 0.000 0.432 378 G N -0.778 108.097 108.800 0.126 0.000 2.446 378 G HA2 -0.268 3.692 3.960 0.001 0.000 0.217 378 G HA3 -0.268 3.692 3.960 0.001 0.000 0.217 378 G C 1.560 176.503 174.900 0.071 0.000 1.168 378 G CA 1.399 46.552 45.100 0.089 0.000 0.771 378 G HN 0.313 nan 8.290 nan 0.000 0.551 379 T N 0.945 115.508 114.554 0.016 0.000 2.746 379 T HA -0.084 4.266 4.350 0.001 0.000 0.267 379 T C 2.051 176.696 174.700 -0.093 0.000 1.039 379 T CA 1.058 63.104 62.100 -0.090 0.000 1.142 379 T CB -0.360 68.389 68.868 -0.199 0.000 0.866 379 T HN 0.265 nan 8.240 nan 0.000 0.444 380 F N 1.641 121.586 119.950 -0.009 0.000 2.126 380 F HA -0.119 4.408 4.527 0.001 0.000 0.299 380 F C 2.692 178.514 175.800 0.036 0.000 1.096 380 F CA 0.988 58.992 58.000 0.007 0.000 1.255 380 F CB -0.484 38.520 39.000 0.007 0.000 0.997 380 F HN 0.139 nan 8.300 nan 0.000 0.479 381 A N -0.312 122.645 122.820 0.229 0.000 1.933 381 A HA -0.126 4.195 4.320 0.001 0.000 0.218 381 A C 2.283 179.967 177.584 0.167 0.000 1.175 381 A CA 1.770 53.908 52.037 0.169 0.000 0.628 381 A CB -1.151 17.929 19.000 0.132 0.000 0.814 381 A HN 0.182 nan 8.150 nan 0.000 0.444 382 V N 0.121 120.114 119.914 0.131 0.000 2.358 382 V HA -0.250 3.870 4.120 0.001 0.000 0.246 382 V C 2.547 178.760 176.094 0.198 0.000 1.047 382 V CA 1.893 64.279 62.300 0.145 0.000 1.035 382 V CB -0.837 30.985 31.823 -0.002 0.000 0.658 382 V HN 0.561 nan 8.190 nan 0.000 0.452 383 L N 0.295 121.581 121.223 0.106 0.000 1.994 383 L HA -0.165 4.175 4.340 0.001 0.000 0.208 383 L C 2.811 179.871 176.870 0.317 0.000 1.071 383 L CA 1.738 56.682 54.840 0.173 0.000 0.745 383 L CB -0.989 41.117 42.059 0.079 0.000 0.892 383 L HN 0.330 nan 8.230 nan 0.000 0.431 384 A N 0.239 123.206 122.820 0.245 0.000 1.873 384 A HA -0.283 4.038 4.320 0.001 0.000 0.218 384 A C 2.523 180.227 177.584 0.200 0.000 1.193 384 A CA 2.253 54.411 52.037 0.203 0.000 0.629 384 A CB -0.988 18.108 19.000 0.158 0.000 0.826 384 A HN 0.433 nan 8.150 nan 0.000 0.447 385 A N -2.012 120.946 122.820 0.230 0.000 1.972 385 A HA 0.033 4.353 4.320 0.001 0.000 0.219 385 A C 1.744 179.385 177.584 0.093 0.000 1.169 385 A CA 1.413 53.547 52.037 0.161 0.000 0.635 385 A CB -0.577 18.547 19.000 0.206 0.000 0.810 385 A HN 0.529 nan 8.150 nan 0.000 0.446 386 F N -1.196 118.871 119.950 0.196 0.000 2.695 386 F HA 0.365 4.892 4.527 0.001 0.000 0.303 386 F C 1.655 177.563 175.800 0.180 0.000 1.091 386 F CA 0.602 58.753 58.000 0.251 0.000 1.300 386 F CB 0.533 39.784 39.000 0.418 0.000 1.071 386 F HN 0.347 nan 8.300 nan 0.000 0.578 387 G N 0.466 109.428 108.800 0.270 0.000 2.160 387 G HA2 -0.308 3.652 3.960 0.001 0.000 0.244 387 G HA3 -0.308 3.652 3.960 0.001 0.000 0.244 387 G C 0.130 175.033 174.900 0.004 0.000 1.022 387 G CA -0.384 44.769 45.100 0.088 0.000 0.741 387 G HN 0.238 nan 8.290 nan 0.000 0.508 388 F N 1.037 121.059 119.950 0.120 0.000 2.352 388 F HA 0.656 5.183 4.527 0.000 0.000 0.304 388 F C 1.287 177.128 175.800 0.068 0.000 1.215 388 F CA 0.398 58.449 58.000 0.084 0.000 1.121 388 F CB 1.123 40.160 39.000 0.062 0.000 1.329 388 F HN 0.345 nan 8.300 nan 0.000 0.528 389 S N -0.446 115.408 115.700 0.257 0.000 2.634 389 S HA 0.644 5.114 4.470 0.001 0.000 0.296 389 S C -0.879 173.796 174.600 0.126 0.000 1.104 389 S CA -0.959 57.333 58.200 0.155 0.000 0.920 389 S CB 1.250 64.510 63.200 0.099 0.000 1.111 389 S HN 0.418 nan 8.310 nan 0.000 0.493 390 I N 3.134 123.771 120.570 0.112 0.000 2.406 390 I HA 0.252 4.422 4.170 0.001 0.000 0.293 390 I C -0.098 176.022 176.117 0.005 0.000 1.101 390 I CA -0.101 61.255 61.300 0.093 0.000 1.334 390 I CB -0.814 37.275 38.000 0.148 0.000 1.421 390 I HN 0.790 nan 8.210 nan 0.000 0.513 391 N N 1.480 120.144 118.700 -0.059 0.000 2.525 391 N HA 0.298 5.039 4.740 0.001 0.000 0.270 391 N C 0.770 176.117 175.510 -0.273 0.000 1.321 391 N CA -0.588 52.387 53.050 -0.124 0.000 0.797 391 N CB 0.952 39.410 38.487 -0.049 0.000 1.529 391 N HN 0.365 nan 8.380 nan 0.000 0.491 392 T N -1.496 112.826 114.554 -0.386 0.000 2.721 392 T HA -0.226 4.125 4.350 0.001 0.000 0.268 392 T C 1.438 175.581 174.700 -0.929 0.000 1.038 392 T CA 1.245 62.898 62.100 -0.745 0.000 1.145 392 T CB -0.629 67.813 68.868 -0.711 0.000 0.858 392 T HN 0.458 nan 8.240 nan 0.000 0.459 393 L N 1.490 122.474 121.223 -0.398 0.000 2.005 393 L HA -0.059 4.281 4.340 0.001 0.000 0.207 393 L C 3.402 179.932 176.870 -0.567 0.000 1.072 393 L CA 1.921 56.566 54.840 -0.326 0.000 0.744 393 L CB -1.443 40.577 42.059 -0.065 0.000 0.895 393 L HN 0.509 nan 8.230 nan 0.000 0.433 394 T N -2.658 111.668 114.554 -0.381 0.000 2.759 394 T HA -0.202 4.149 4.350 0.001 0.000 0.269 394 T C 1.911 176.406 174.700 -0.342 0.000 1.042 394 T CA 1.063 62.952 62.100 -0.353 0.000 1.140 394 T CB -0.209 68.524 68.868 -0.224 0.000 0.864 394 T HN 0.037 nan 8.240 nan 0.000 0.455 395 M N 0.899 120.292 119.600 -0.345 0.000 2.067 395 M HA 0.151 4.631 4.480 0.001 0.000 0.260 395 M C 2.254 178.453 176.300 -0.168 0.000 1.069 395 M CA 1.189 56.319 55.300 -0.283 0.000 1.117 395 M CB -1.598 30.802 32.600 -0.333 0.000 1.334 395 M HN 0.329 nan 8.290 nan 0.000 0.407 396 F N 0.274 120.140 119.950 -0.140 0.000 2.154 396 F HA -0.201 4.326 4.527 0.001 0.000 0.301 396 F C 2.535 178.358 175.800 0.039 0.000 1.087 396 F CA 0.727 58.707 58.000 -0.033 0.000 1.274 396 F CB -1.022 38.022 39.000 0.073 0.000 1.009 396 F HN 0.294 nan 8.300 nan 0.000 0.485 397 G N 0.455 109.303 108.800 0.080 0.000 2.491 397 G HA2 -0.286 3.674 3.960 0.001 0.000 0.218 397 G HA3 -0.286 3.674 3.960 0.001 0.000 0.218 397 G C 1.588 176.487 174.900 -0.002 0.000 1.180 397 G CA 1.103 46.243 45.100 0.065 0.000 0.774 397 G HN 0.234 nan 8.290 nan 0.000 0.562 398 M N 0.092 119.642 119.600 -0.083 0.000 2.159 398 M HA -0.059 4.421 4.480 0.001 0.000 0.263 398 M C 2.722 179.014 176.300 -0.013 0.000 1.063 398 M CA 0.888 56.134 55.300 -0.090 0.000 1.110 398 M CB -0.518 31.985 32.600 -0.160 0.000 1.374 398 M HN 0.129 nan 8.290 nan 0.000 0.411 399 V N 0.682 120.613 119.914 0.027 0.000 2.287 399 V HA -0.265 3.855 4.120 0.001 0.000 0.248 399 V C 2.376 178.487 176.094 0.029 0.000 1.053 399 V CA 1.525 63.846 62.300 0.036 0.000 1.027 399 V CB -0.801 31.067 31.823 0.075 0.000 0.646 399 V HN 0.331 nan 8.190 nan 0.000 0.447 400 L N 0.437 121.711 121.223 0.085 0.000 2.131 400 L HA -0.070 4.270 4.340 0.001 0.000 0.210 400 L C 2.519 179.510 176.870 0.201 0.000 1.092 400 L CA 2.133 57.069 54.840 0.159 0.000 0.759 400 L CB -1.337 40.856 42.059 0.223 0.000 0.903 400 L HN 0.325 nan 8.230 nan 0.000 0.435 401 A N -1.062 121.813 122.820 0.091 0.000 2.066 401 A HA -0.074 4.246 4.320 0.001 0.000 0.218 401 A C 2.286 179.917 177.584 0.077 0.000 1.157 401 A CA 0.933 53.006 52.037 0.059 0.000 0.670 401 A CB -0.518 18.468 19.000 -0.024 0.000 0.804 401 A HN 0.366 nan 8.150 nan 0.000 0.453 402 I N -0.115 120.495 120.570 0.068 0.000 2.142 402 I HA -0.186 3.984 4.170 0.001 0.000 0.240 402 I C 2.287 178.459 176.117 0.092 0.000 1.078 402 I CA 1.399 62.734 61.300 0.059 0.000 1.343 402 I CB -0.393 37.628 38.000 0.035 0.000 1.046 402 I HN 0.376 nan 8.210 nan 0.000 0.405 403 G N -0.385 108.495 108.800 0.134 0.000 3.332 403 G HA2 0.218 4.178 3.960 0.001 0.000 0.242 403 G HA3 0.218 4.178 3.960 0.001 0.000 0.242 403 G C 0.844 175.914 174.900 0.283 0.000 1.276 403 G CA 0.060 45.279 45.100 0.199 0.000 0.988 403 G HN 0.160 nan 8.290 nan 0.000 0.517 404 L N -0.691 120.648 121.223 0.193 0.000 2.815 404 L HA 0.301 4.642 4.340 0.001 0.000 0.241 404 L C 2.134 179.042 176.870 0.063 0.000 1.047 404 L CA 0.545 55.461 54.840 0.127 0.000 0.939 404 L CB 0.033 42.178 42.059 0.143 0.000 1.490 404 L HN 0.204 nan 8.230 nan 0.000 0.510 405 L N -1.526 119.731 121.223 0.056 0.000 2.240 405 L HA 0.090 4.430 4.340 0.001 0.000 0.211 405 L C 2.011 178.898 176.870 0.028 0.000 1.106 405 L CA 1.683 56.541 54.840 0.030 0.000 0.793 405 L CB -1.465 40.606 42.059 0.021 0.000 0.927 405 L HN 0.033 nan 8.230 nan 0.000 0.446 406 V N -3.379 116.559 119.914 0.040 0.000 3.041 406 V HA -0.066 4.055 4.120 0.001 0.000 0.260 406 V C 1.851 177.955 176.094 0.017 0.000 1.105 406 V CA 1.271 63.590 62.300 0.031 0.000 1.125 406 V CB -0.966 30.882 31.823 0.043 0.000 0.730 406 V HN 0.306 nan 8.190 nan 0.000 0.479 407 D N 1.600 122.012 120.400 0.020 0.000 2.106 407 D HA -0.181 4.459 4.640 0.001 0.000 0.191 407 D C 1.867 178.169 176.300 0.002 0.000 0.997 407 D CA 2.116 56.120 54.000 0.007 0.000 0.834 407 D CB -0.413 40.392 40.800 0.010 0.000 0.956 407 D HN 0.469 nan 8.370 nan 0.000 0.448 408 D N 0.034 120.439 120.400 0.008 0.000 2.117 408 D HA -0.046 4.594 4.640 0.001 0.000 0.197 408 D C 1.957 178.258 176.300 0.001 0.000 0.987 408 D CA 1.346 55.351 54.000 0.010 0.000 0.829 408 D CB -0.394 40.411 40.800 0.008 0.000 0.961 408 D HN 0.170 nan 8.370 nan 0.000 0.460 409 A N 0.169 122.986 122.820 -0.005 0.000 2.015 409 A HA -0.090 4.230 4.320 0.001 0.000 0.219 409 A C 2.255 179.830 177.584 -0.016 0.000 1.163 409 A CA 0.713 52.742 52.037 -0.012 0.000 0.646 409 A CB -0.560 18.434 19.000 -0.010 0.000 0.806 409 A HN 0.209 nan 8.150 nan 0.000 0.448 410 I N -0.707 119.851 120.570 -0.020 0.000 2.406 410 I HA -0.149 4.021 4.170 0.001 0.000 0.249 410 I C 2.183 178.276 176.117 -0.041 0.000 1.122 410 I CA 0.711 61.985 61.300 -0.043 0.000 1.431 410 I CB -0.107 37.852 38.000 -0.067 0.000 1.087 410 I HN 0.129 nan 8.210 nan 0.000 0.424 411 V N 0.364 120.267 119.914 -0.018 0.000 2.490 411 V HA -0.214 3.906 4.120 0.001 0.000 0.250 411 V C 2.365 178.471 176.094 0.020 0.000 1.061 411 V CA 1.303 63.608 62.300 0.008 0.000 1.064 411 V CB -0.434 31.419 31.823 0.050 0.000 0.670 411 V HN 0.225 nan 8.190 nan 0.000 0.461 412 V N -0.256 119.662 119.914 0.007 0.000 2.229 412 V HA -0.199 3.921 4.120 0.001 0.000 0.243 412 V C 2.410 178.499 176.094 -0.009 0.000 1.042 412 V CA 2.017 64.317 62.300 -0.000 0.000 1.000 412 V CB -0.444 31.369 31.823 -0.017 0.000 0.637 412 V HN 0.387 nan 8.190 nan 0.000 0.446 413 V N -0.062 119.840 119.914 -0.019 0.000 2.343 413 V HA -0.245 3.876 4.120 0.001 0.000 0.247 413 V C 2.619 178.699 176.094 -0.025 0.000 1.051 413 V CA 2.124 64.410 62.300 -0.022 0.000 1.036 413 V CB -0.707 31.101 31.823 -0.025 0.000 0.654 413 V HN 0.586 nan 8.190 nan 0.000 0.451 414 E N 0.796 120.975 120.200 -0.035 0.000 2.058 414 E HA -0.278 4.072 4.350 0.001 0.000 0.194 414 E C 2.082 178.673 176.600 -0.015 0.000 0.997 414 E CA 1.981 58.358 56.400 -0.039 0.000 0.801 414 E CB -0.331 29.328 29.700 -0.069 0.000 0.746 414 E HN 0.631 nan 8.360 nan 0.000 0.450 415 N N -0.327 118.371 118.700 -0.002 0.000 2.120 415 N HA -0.136 4.605 4.740 0.001 0.000 0.188 415 N C 1.901 177.420 175.510 0.016 0.000 1.024 415 N CA 1.520 54.582 53.050 0.019 0.000 0.852 415 N CB -0.039 38.482 38.487 0.056 0.000 1.003 415 N HN -0.024 nan 8.380 nan 0.000 0.424 416 V N 1.129 121.046 119.914 0.005 0.000 2.295 416 V HA -0.163 3.957 4.120 0.001 0.000 0.246 416 V C 2.089 178.180 176.094 -0.005 0.000 1.049 416 V CA 1.550 63.849 62.300 -0.002 0.000 1.024 416 V CB -0.498 31.318 31.823 -0.012 0.000 0.648 416 V HN 0.364 nan 8.190 nan 0.000 0.447 417 E N -0.146 120.049 120.200 -0.008 0.000 2.153 417 E HA -0.194 4.157 4.350 0.001 0.000 0.194 417 E C 2.367 178.965 176.600 -0.004 0.000 0.988 417 E CA 0.689 57.082 56.400 -0.011 0.000 0.811 417 E CB -0.261 29.431 29.700 -0.013 0.000 0.746 417 E HN 0.385 nan 8.360 nan 0.000 0.466 418 R N 0.965 121.472 120.500 0.012 0.000 2.073 418 R HA -0.055 4.285 4.340 0.001 0.000 0.229 418 R C 2.288 178.602 176.300 0.023 0.000 1.120 418 R CA 0.683 56.802 56.100 0.032 0.000 0.967 418 R CB -0.266 30.055 30.300 0.036 0.000 0.862 418 R HN 0.042 nan 8.270 nan 0.000 0.436 419 V N 1.178 121.102 119.914 0.017 0.000 2.358 419 V HA -0.230 3.891 4.120 0.001 0.000 0.246 419 V C 2.503 178.594 176.094 -0.005 0.000 1.047 419 V CA 1.589 63.899 62.300 0.016 0.000 1.035 419 V CB -0.382 31.455 31.823 0.024 0.000 0.658 419 V HN 0.309 nan 8.190 nan 0.000 0.452 420 M N -0.227 119.362 119.600 -0.018 0.000 2.279 420 M HA -0.109 4.371 4.480 0.001 0.000 0.264 420 M C 2.073 178.331 176.300 -0.070 0.000 1.062 420 M CA 1.876 57.156 55.300 -0.033 0.000 1.099 420 M CB -0.399 32.183 32.600 -0.030 0.000 1.394 420 M HN 0.409 nan 8.290 nan 0.000 0.426 421 A N -1.032 121.723 122.820 -0.108 0.000 2.238 421 A HA -0.005 4.315 4.320 0.001 0.000 0.210 421 A C 1.793 179.199 177.584 -0.297 0.000 1.179 421 A CA 0.773 52.657 52.037 -0.254 0.000 0.827 421 A CB -0.145 18.654 19.000 -0.336 0.000 0.856 421 A HN 0.454 nan 8.150 nan 0.000 0.488 422 E N -1.109 119.031 120.200 -0.100 0.000 2.290 422 E HA 0.064 4.414 4.350 0.001 0.000 0.199 422 E C 1.380 177.986 176.600 0.009 0.000 0.912 422 E CA 0.357 56.757 56.400 0.000 0.000 0.924 422 E CB 0.385 30.127 29.700 0.070 0.000 0.901 422 E HN 0.629 nan 8.360 nan 0.000 0.487 423 E N -1.210 118.990 120.200 -0.001 0.000 2.485 423 E HA 0.168 4.519 4.350 0.001 0.000 0.213 423 E C 0.441 177.040 176.600 -0.002 0.000 0.923 423 E CA 0.386 56.791 56.400 0.008 0.000 1.054 423 E CB 1.502 31.214 29.700 0.019 0.000 1.077 423 E HN 0.256 nan 8.360 nan 0.000 0.509 424 G N 2.055 110.844 108.800 -0.017 0.000 2.198 424 G HA2 -0.281 3.680 3.960 0.001 0.000 0.257 424 G HA3 -0.281 3.680 3.960 0.001 0.000 0.257 424 G C 0.009 174.904 174.900 -0.008 0.000 1.042 424 G CA 0.075 45.163 45.100 -0.019 0.000 0.791 424 G HN 0.105 nan 8.290 nan 0.000 0.502 425 L N 0.342 121.563 121.223 -0.003 0.000 2.395 425 L HA 0.410 4.750 4.340 0.001 0.000 0.269 425 L C -1.455 175.415 176.870 -0.001 0.000 1.133 425 L CA -2.151 52.691 54.840 0.003 0.000 0.812 425 L CB 0.636 42.701 42.059 0.010 0.000 1.125 425 L HN -0.070 nan 8.230 nan 0.000 0.452 426 P HA 0.073 nan 4.420 nan 0.000 0.269 426 P C -2.080 175.219 177.300 -0.001 0.000 1.215 426 P CA -1.033 62.068 63.100 0.001 0.000 0.780 426 P CB 0.089 31.792 31.700 0.004 0.000 0.898 427 P HA -0.238 nan 4.420 nan 0.000 0.217 427 P C 1.337 178.631 177.300 -0.011 0.000 1.162 427 P CA 2.058 65.154 63.100 -0.006 0.000 0.901 427 P CB -0.093 31.607 31.700 -0.001 0.000 0.793 428 K N -0.808 119.587 120.400 -0.008 0.000 2.063 428 K HA -0.218 4.102 4.320 0.001 0.000 0.208 428 K C 2.192 178.783 176.600 -0.014 0.000 1.048 428 K CA 1.639 57.918 56.287 -0.014 0.000 0.928 428 K CB -0.320 32.177 32.500 -0.004 0.000 0.713 428 K HN 0.076 nan 8.250 nan 0.000 0.442 429 E N 0.559 120.760 120.200 0.002 0.000 2.107 429 E HA -0.065 4.285 4.350 0.001 0.000 0.191 429 E C 1.634 178.241 176.600 0.011 0.000 0.982 429 E CA 1.174 57.583 56.400 0.015 0.000 0.809 429 E CB -0.034 29.679 29.700 0.022 0.000 0.756 429 E HN 0.281 nan 8.360 nan 0.000 0.459 430 A N -0.383 122.438 122.820 0.002 0.000 2.015 430 A HA -0.113 4.207 4.320 0.001 0.000 0.219 430 A C 2.302 179.880 177.584 -0.009 0.000 1.163 430 A CA 1.842 53.881 52.037 0.002 0.000 0.646 430 A CB -0.779 18.220 19.000 -0.002 0.000 0.806 430 A HN 0.350 nan 8.150 nan 0.000 0.448 431 T N -0.279 114.255 114.554 -0.034 0.000 2.732 431 T HA -0.090 4.260 4.350 0.001 0.000 0.261 431 T C 2.078 176.710 174.700 -0.114 0.000 1.040 431 T CA 1.249 63.307 62.100 -0.069 0.000 1.145 431 T CB -0.219 68.595 68.868 -0.091 0.000 0.866 431 T HN 0.486 nan 8.240 nan 0.000 0.427 432 R N 0.986 121.405 120.500 -0.135 0.000 2.073 432 R HA -0.032 4.308 4.340 0.001 0.000 0.234 432 R C 2.539 178.862 176.300 0.038 0.000 1.134 432 R CA 1.240 57.210 56.100 -0.217 0.000 0.952 432 R CB -0.246 30.016 30.300 -0.062 0.000 0.850 432 R HN 0.196 nan 8.270 nan 0.000 0.433 433 K N 0.800 121.249 120.400 0.082 0.000 2.057 433 K HA -0.096 4.224 4.320 0.001 0.000 0.207 433 K C 2.173 178.829 176.600 0.093 0.000 1.049 433 K CA 1.830 58.185 56.287 0.113 0.000 0.931 433 K CB -0.058 32.490 32.500 0.080 0.000 0.714 433 K HN 0.192 nan 8.250 nan 0.000 0.440 434 S N -0.619 115.113 115.700 0.053 0.000 2.428 434 S HA -0.113 4.357 4.470 0.001 0.000 0.230 434 S C 1.952 176.585 174.600 0.055 0.000 1.014 434 S CA 0.876 59.110 58.200 0.057 0.000 0.957 434 S CB -0.210 63.013 63.200 0.038 0.000 0.784 434 S HN 0.190 nan 8.310 nan 0.000 0.499 435 M N 2.620 122.230 119.600 0.016 0.000 2.319 435 M HA 0.247 4.727 4.480 0.001 0.000 0.265 435 M C 1.914 178.267 176.300 0.089 0.000 1.068 435 M CA 1.213 56.516 55.300 0.005 0.000 1.118 435 M CB -0.914 31.608 32.600 -0.130 0.000 1.395 435 M HN 0.430 nan 8.290 nan 0.000 0.435 436 G N -1.187 107.711 108.800 0.163 0.000 2.744 436 G HA2 -0.113 3.847 3.960 0.001 0.000 0.211 436 G HA3 -0.113 3.847 3.960 0.001 0.000 0.211 436 G C 1.296 176.244 174.900 0.079 0.000 1.143 436 G CA 0.312 45.517 45.100 0.174 0.000 0.788 436 G HN 0.564 nan 8.290 nan 0.000 0.534 437 Q N -0.525 119.312 119.800 0.062 0.000 2.324 437 Q HA 0.207 4.548 4.340 0.001 0.000 0.207 437 Q C 2.279 178.231 176.000 -0.081 0.000 0.928 437 Q CA 0.620 56.432 55.803 0.015 0.000 0.890 437 Q CB 0.132 28.923 28.738 0.088 0.000 1.001 437 Q HN 0.713 nan 8.270 nan 0.000 0.517 438 I N -2.611 117.952 120.570 -0.012 0.000 3.956 438 I HA 0.088 4.258 4.170 0.001 0.000 0.333 438 I C 2.017 178.116 176.117 -0.030 0.000 1.302 438 I CA 0.045 61.326 61.300 -0.032 0.000 1.122 438 I CB 0.101 38.181 38.000 0.134 0.000 1.013 438 I HN 0.015 nan 8.210 nan 0.000 0.405 439 Q N 2.235 122.029 119.800 -0.011 0.000 2.197 439 Q HA -0.170 4.170 4.340 0.001 0.000 0.207 439 Q C 2.036 178.024 176.000 -0.019 0.000 0.984 439 Q CA 2.254 58.058 55.803 0.003 0.000 0.869 439 Q CB -0.147 28.610 28.738 0.032 0.000 0.906 439 Q HN 0.742 nan 8.270 nan 0.000 0.426 440 G N -0.741 108.033 108.800 -0.043 0.000 2.623 440 G HA2 0.049 4.009 3.960 0.001 0.000 0.214 440 G HA3 0.049 4.009 3.960 0.001 0.000 0.214 440 G C 1.322 176.235 174.900 0.022 0.000 1.138 440 G CA 0.611 45.694 45.100 -0.028 0.000 0.794 440 G HN 0.410 nan 8.290 nan 0.000 0.535 441 A N 0.618 123.422 122.820 -0.027 0.000 1.935 441 A HA 0.268 4.588 4.320 0.001 0.000 0.214 441 A C 2.308 179.929 177.584 0.061 0.000 1.178 441 A CA 0.566 52.620 52.037 0.028 0.000 0.640 441 A CB -0.222 18.786 19.000 0.014 0.000 0.825 441 A HN 0.309 nan 8.150 nan 0.000 0.447 442 L N -0.382 120.862 121.223 0.034 0.000 2.056 442 L HA -0.134 4.207 4.340 0.001 0.000 0.207 442 L C 2.466 179.344 176.870 0.013 0.000 1.078 442 L CA 1.071 55.927 54.840 0.027 0.000 0.749 442 L CB -0.838 41.230 42.059 0.015 0.000 0.901 442 L HN 0.213 nan 8.230 nan 0.000 0.433 443 V N 0.582 120.493 119.914 -0.005 0.000 2.295 443 V HA -0.195 3.925 4.120 0.001 0.000 0.246 443 V C 2.705 178.783 176.094 -0.026 0.000 1.049 443 V CA 2.002 64.284 62.300 -0.031 0.000 1.024 443 V CB -1.414 30.366 31.823 -0.071 0.000 0.648 443 V HN 0.555 nan 8.190 nan 0.000 0.447 444 G N 0.193 108.999 108.800 0.010 0.000 2.480 444 G HA2 -0.257 3.703 3.960 0.001 0.000 0.216 444 G HA3 -0.257 3.703 3.960 0.001 0.000 0.216 444 G C 1.588 176.531 174.900 0.071 0.000 1.200 444 G CA 1.288 46.440 45.100 0.086 0.000 0.782 444 G HN 0.476 nan 8.290 nan 0.000 0.554 445 I N 1.554 122.163 120.570 0.065 0.000 2.151 445 I HA -0.242 3.928 4.170 0.001 0.000 0.243 445 I C 3.310 179.442 176.117 0.024 0.000 1.080 445 I CA 1.250 62.573 61.300 0.039 0.000 1.339 445 I CB -0.248 37.773 38.000 0.035 0.000 1.039 445 I HN 0.257 nan 8.210 nan 0.000 0.409 446 A N 1.090 123.921 122.820 0.018 0.000 1.902 446 A HA -0.243 4.077 4.320 0.001 0.000 0.217 446 A C 2.360 179.951 177.584 0.012 0.000 1.181 446 A CA 2.153 54.197 52.037 0.012 0.000 0.623 446 A CB -0.684 18.317 19.000 0.002 0.000 0.818 446 A HN 0.590 nan 8.150 nan 0.000 0.443 447 M N -1.877 117.725 119.600 0.002 0.000 2.236 447 M HA 0.104 4.584 4.480 0.001 0.000 0.266 447 M C 1.799 178.102 176.300 0.005 0.000 1.070 447 M CA 1.820 57.118 55.300 -0.003 0.000 1.137 447 M CB -0.488 32.094 32.600 -0.029 0.000 1.378 447 M HN -0.023 nan 8.290 nan 0.000 0.426 448 V N 1.055 120.974 119.914 0.009 0.000 2.515 448 V HA -0.083 4.037 4.120 0.001 0.000 0.250 448 V C 2.137 178.229 176.094 -0.004 0.000 1.058 448 V CA 1.565 63.864 62.300 -0.001 0.000 1.064 448 V CB -0.232 31.596 31.823 0.008 0.000 0.675 448 V HN 0.614 nan 8.190 nan 0.000 0.461 449 L N 0.122 121.362 121.223 0.029 0.000 2.599 449 L HA 0.051 4.392 4.340 0.001 0.000 0.230 449 L C 1.891 178.886 176.870 0.209 0.000 1.141 449 L CA 1.003 55.895 54.840 0.087 0.000 0.877 449 L CB -0.023 42.078 42.059 0.070 0.000 1.009 449 L HN 0.553 nan 8.230 nan 0.000 0.447 450 S N -2.730 113.052 115.700 0.137 0.000 2.593 450 S HA 0.203 4.673 4.470 0.001 0.000 0.235 450 S C 1.856 176.521 174.600 0.109 0.000 1.059 450 S CA 0.256 58.561 58.200 0.175 0.000 0.953 450 S CB 0.380 63.626 63.200 0.076 0.000 0.897 450 S HN 0.163 nan 8.310 nan 0.000 0.507 451 A N 2.697 125.536 122.820 0.031 0.000 1.930 451 A HA 0.074 4.394 4.320 0.001 0.000 0.217 451 A C 2.332 179.875 177.584 -0.069 0.000 1.175 451 A CA 1.754 53.783 52.037 -0.013 0.000 0.627 451 A CB -1.263 17.723 19.000 -0.024 0.000 0.815 451 A HN 0.903 nan 8.150 nan 0.000 0.443 452 V N -3.623 116.193 119.914 -0.163 0.000 2.568 452 V HA -0.203 3.917 4.120 0.001 0.000 0.253 452 V C 2.021 177.855 176.094 -0.433 0.000 1.072 452 V CA 1.805 63.889 62.300 -0.360 0.000 1.084 452 V CB -1.349 30.107 31.823 -0.612 0.000 0.676 452 V HN 0.440 nan 8.190 nan 0.000 0.469 453 F N -0.671 119.230 119.950 -0.081 0.000 2.765 453 F HA 0.279 4.806 4.527 0.001 0.000 0.302 453 F C 2.018 177.744 175.800 -0.123 0.000 1.111 453 F CA 0.267 58.211 58.000 -0.092 0.000 1.359 453 F CB 0.151 39.118 39.000 -0.054 0.000 1.097 453 F HN -0.054 nan 8.300 nan 0.000 0.577 454 V N 0.861 120.766 119.914 -0.015 0.000 2.331 454 V HA -0.087 4.033 4.120 0.001 0.000 0.242 454 V C -0.445 175.481 176.094 -0.280 0.000 1.034 454 V CA 1.366 63.583 62.300 -0.139 0.000 1.027 454 V CB -1.316 30.458 31.823 -0.081 0.000 0.667 454 V HN 0.118 nan 8.190 nan 0.000 0.457 455 P HA -0.157 nan 4.420 nan 0.000 0.220 455 P C 1.905 179.268 177.300 0.104 0.000 1.148 455 P CA 1.376 64.455 63.100 -0.035 0.000 0.803 455 P CB -0.222 31.525 31.700 0.079 0.000 0.782 456 M N -2.027 117.587 119.600 0.023 0.000 2.374 456 M HA 0.056 4.536 4.480 0.001 0.000 0.264 456 M C 1.800 178.228 176.300 0.214 0.000 1.067 456 M CA 1.925 57.251 55.300 0.044 0.000 1.103 456 M CB -0.817 31.535 32.600 -0.412 0.000 1.402 456 M HN -0.175 nan 8.290 nan 0.000 0.444 457 A N 0.703 123.503 122.820 -0.033 0.000 2.015 457 A HA 0.021 4.341 4.320 0.001 0.000 0.219 457 A C 1.556 179.222 177.584 0.137 0.000 1.163 457 A CA 0.919 52.936 52.037 -0.035 0.000 0.646 457 A CB -1.004 17.809 19.000 -0.312 0.000 0.806 457 A HN 0.698 nan 8.150 nan 0.000 0.448 458 F N -2.142 117.940 119.950 0.219 0.000 2.693 458 F HA 0.297 4.824 4.527 0.000 0.000 0.303 458 F C 0.247 176.086 175.800 0.065 0.000 1.097 458 F CA -0.930 57.135 58.000 0.110 0.000 1.330 458 F CB 0.055 39.064 39.000 0.015 0.000 1.067 458 F HN 0.007 nan 8.300 nan 0.000 0.565 459 F N 0.907 121.024 119.950 0.279 0.000 2.450 459 F HA 0.414 4.942 4.527 0.000 0.000 0.339 459 F C 1.259 177.192 175.800 0.222 0.000 1.146 459 F CA -0.280 57.867 58.000 0.244 0.000 1.267 459 F CB 0.398 39.569 39.000 0.285 0.000 1.178 459 F HN -0.127 nan 8.300 nan 0.000 0.585 460 G N 0.254 109.276 108.800 0.369 0.000 2.537 460 G HA2 0.516 4.477 3.960 0.001 0.000 0.297 460 G HA3 0.516 4.477 3.960 0.001 0.000 0.297 460 G C -0.033 175.004 174.900 0.230 0.000 1.310 460 G CA -0.136 45.112 45.100 0.248 0.000 1.027 460 G HN 1.140 nan 8.290 nan 0.000 0.505 461 G N -1.272 107.641 108.800 0.188 0.000 2.855 461 G HA2 -0.056 3.904 3.960 0.001 0.000 0.352 461 G HA3 -0.056 3.904 3.960 0.001 0.000 0.352 461 G C 1.182 176.169 174.900 0.145 0.000 1.415 461 G CA 0.603 45.809 45.100 0.176 0.000 0.871 461 G HN 1.543 nan 8.290 nan 0.000 0.543 462 S N -1.150 114.640 115.700 0.149 0.000 2.447 462 S HA -0.068 4.402 4.470 0.001 0.000 0.233 462 S C 2.485 177.124 174.600 0.065 0.000 1.006 462 S CA 2.387 60.664 58.200 0.129 0.000 0.957 462 S CB -0.453 62.849 63.200 0.171 0.000 0.773 462 S HN 0.967 nan 8.310 nan 0.000 0.507 463 T N 0.752 115.323 114.554 0.028 0.000 2.737 463 T HA 0.006 4.356 4.350 0.001 0.000 0.265 463 T C 1.994 176.402 174.700 -0.485 0.000 1.038 463 T CA 1.229 63.165 62.100 -0.275 0.000 1.144 463 T CB -1.120 67.595 68.868 -0.255 0.000 0.866 463 T HN 0.521 nan 8.240 nan 0.000 0.434 464 G N 1.335 110.056 108.800 -0.131 0.000 2.469 464 G HA2 -0.109 3.851 3.960 0.001 0.000 0.220 464 G HA3 -0.109 3.851 3.960 0.001 0.000 0.220 464 G C 1.823 176.816 174.900 0.154 0.000 1.136 464 G CA 0.990 46.172 45.100 0.137 0.000 0.759 464 G HN 0.597 nan 8.290 nan 0.000 0.562 465 A N 0.928 123.807 122.820 0.099 0.000 1.908 465 A HA -0.008 4.313 4.320 0.001 0.000 0.218 465 A C 2.380 180.047 177.584 0.139 0.000 1.181 465 A CA 1.391 53.505 52.037 0.128 0.000 0.627 465 A CB -0.280 18.779 19.000 0.097 0.000 0.818 465 A HN 0.337 nan 8.150 nan 0.000 0.445 466 I N -1.545 119.053 120.570 0.046 0.000 2.113 466 I HA -0.289 3.882 4.170 0.001 0.000 0.238 466 I C 2.486 178.812 176.117 0.348 0.000 1.070 466 I CA 1.673 63.048 61.300 0.125 0.000 1.332 466 I CB -1.492 36.489 38.000 -0.032 0.000 1.044 466 I HN 0.475 nan 8.210 nan 0.000 0.402 467 Y N 0.878 121.350 120.300 0.287 0.000 2.069 467 Y HA -0.349 4.202 4.550 0.000 0.000 0.278 467 Y C 2.977 179.064 175.900 0.312 0.000 1.175 467 Y CA 1.345 59.631 58.100 0.310 0.000 1.134 467 Y CB -0.567 38.005 38.460 0.185 0.000 0.965 467 Y HN 0.103 nan 8.280 nan 0.000 0.498 468 R N 0.256 121.008 120.500 0.420 0.000 2.185 468 R HA -0.229 4.111 4.340 0.001 0.000 0.247 468 R C 2.194 178.638 176.300 0.241 0.000 1.159 468 R CA 1.603 57.898 56.100 0.326 0.000 0.988 468 R CB -0.041 30.480 30.300 0.370 0.000 0.871 468 R HN 0.414 nan 8.270 nan 0.000 0.458 469 Q N -0.702 119.235 119.800 0.228 0.000 2.046 469 Q HA -0.139 4.201 4.340 0.001 0.000 0.200 469 Q C 2.036 177.944 176.000 -0.154 0.000 0.975 469 Q CA 1.554 57.364 55.803 0.012 0.000 0.836 469 Q CB -0.394 28.319 28.738 -0.042 0.000 0.896 469 Q HN 0.357 nan 8.270 nan 0.000 0.428 470 F N 1.394 121.362 119.950 0.030 0.000 2.134 470 F HA -0.166 4.361 4.527 0.001 0.000 0.299 470 F C 2.662 178.329 175.800 -0.221 0.000 1.097 470 F CA 1.137 59.086 58.000 -0.084 0.000 1.264 470 F CB -0.586 38.422 39.000 0.013 0.000 1.001 470 F HN -0.043 nan 8.300 nan 0.000 0.479 471 S N 0.629 116.395 115.700 0.110 0.000 2.359 471 S HA -0.225 4.246 4.470 0.001 0.000 0.222 471 S C 2.163 176.675 174.600 -0.145 0.000 1.038 471 S CA 1.423 59.632 58.200 0.016 0.000 1.051 471 S CB -0.596 62.645 63.200 0.070 0.000 0.944 471 S HN 0.283 nan 8.310 nan 0.000 0.433 472 I N 1.545 121.966 120.570 -0.248 0.000 2.315 472 I HA -0.172 3.998 4.170 0.001 0.000 0.248 472 I C 2.055 177.930 176.117 -0.402 0.000 1.117 472 I CA 1.466 62.506 61.300 -0.433 0.000 1.404 472 I CB -1.166 36.305 38.000 -0.881 0.000 1.071 472 I HN 0.322 nan 8.210 nan 0.000 0.419 473 T N 1.637 115.966 114.554 -0.375 0.000 2.614 473 T HA -0.132 4.219 4.350 0.001 0.000 0.263 473 T C 1.992 176.528 174.700 -0.272 0.000 1.055 473 T CA 1.713 63.614 62.100 -0.332 0.000 1.162 473 T CB -0.307 68.371 68.868 -0.317 0.000 0.863 473 T HN 0.268 nan 8.240 nan 0.000 0.414 474 I N 0.795 121.189 120.570 -0.293 0.000 2.202 474 I HA -0.127 4.043 4.170 0.001 0.000 0.242 474 I C 2.559 178.551 176.117 -0.208 0.000 1.091 474 I CA 0.741 61.855 61.300 -0.310 0.000 1.368 474 I CB -0.518 37.096 38.000 -0.643 0.000 1.058 474 I HN 0.061 nan 8.210 nan 0.000 0.410 475 V N 1.109 120.915 119.914 -0.181 0.000 2.282 475 V HA -0.315 3.805 4.120 0.001 0.000 0.249 475 V C 2.654 178.692 176.094 -0.095 0.000 1.057 475 V CA 2.508 64.758 62.300 -0.084 0.000 1.032 475 V CB -0.832 30.952 31.823 -0.066 0.000 0.645 475 V HN 0.630 nan 8.190 nan 0.000 0.447 476 S N 0.394 116.009 115.700 -0.142 0.000 2.453 476 S HA 0.009 4.479 4.470 0.001 0.000 0.231 476 S C 1.991 176.533 174.600 -0.096 0.000 1.005 476 S CA 1.017 59.144 58.200 -0.123 0.000 0.949 476 S CB -0.250 62.852 63.200 -0.164 0.000 0.774 476 S HN 0.554 nan 8.310 nan 0.000 0.510 477 A N 2.057 124.809 122.820 -0.113 0.000 1.929 477 A HA 0.154 4.474 4.320 0.001 0.000 0.216 477 A C 2.267 179.822 177.584 -0.048 0.000 1.176 477 A CA 1.399 53.385 52.037 -0.084 0.000 0.628 477 A CB -0.532 18.407 19.000 -0.102 0.000 0.816 477 A HN 0.485 nan 8.150 nan 0.000 0.444 478 M N -0.478 119.095 119.600 -0.044 0.000 2.288 478 M HA 0.061 4.541 4.480 0.001 0.000 0.266 478 M C 2.441 178.732 176.300 -0.015 0.000 1.072 478 M CA 1.215 56.506 55.300 -0.016 0.000 1.132 478 M CB -1.521 31.081 32.600 0.004 0.000 1.386 478 M HN 0.462 nan 8.290 nan 0.000 0.432 479 A N 0.380 123.185 122.820 -0.025 0.000 1.877 479 A HA -0.101 4.219 4.320 0.001 0.000 0.216 479 A C 2.258 179.834 177.584 -0.015 0.000 1.186 479 A CA 1.264 53.289 52.037 -0.019 0.000 0.620 479 A CB -0.933 18.052 19.000 -0.026 0.000 0.822 479 A HN 0.454 nan 8.150 nan 0.000 0.443 480 L N 0.677 121.890 121.223 -0.018 0.000 2.275 480 L HA -0.141 4.199 4.340 0.001 0.000 0.215 480 L C 2.900 179.766 176.870 -0.008 0.000 1.119 480 L CA 1.204 56.039 54.840 -0.009 0.000 0.790 480 L CB -0.308 41.746 42.059 -0.008 0.000 0.919 480 L HN 0.646 nan 8.230 nan 0.000 0.443 481 S N -0.511 115.183 115.700 -0.010 0.000 2.371 481 S HA -0.124 4.346 4.470 0.001 0.000 0.224 481 S C 1.929 176.525 174.600 -0.007 0.000 1.029 481 S CA 1.018 59.215 58.200 -0.006 0.000 0.978 481 S CB -0.781 62.419 63.200 -0.001 0.000 0.833 481 S HN 0.238 nan 8.310 nan 0.000 0.466 482 V N 1.841 121.751 119.914 -0.007 0.000 2.295 482 V HA -0.114 4.006 4.120 0.001 0.000 0.246 482 V C 2.621 178.708 176.094 -0.012 0.000 1.049 482 V CA 1.622 63.917 62.300 -0.009 0.000 1.024 482 V CB -1.463 30.354 31.823 -0.010 0.000 0.648 482 V HN 0.436 nan 8.190 nan 0.000 0.447 483 L N 0.138 121.355 121.223 -0.010 0.000 1.971 483 L HA -0.175 4.165 4.340 0.001 0.000 0.215 483 L C 2.692 179.551 176.870 -0.018 0.000 1.072 483 L CA 1.835 56.669 54.840 -0.010 0.000 0.758 483 L CB -0.741 41.317 42.059 -0.001 0.000 0.889 483 L HN 0.240 nan 8.230 nan 0.000 0.433 484 V N 0.073 119.973 119.914 -0.023 0.000 2.392 484 V HA -0.298 3.822 4.120 0.001 0.000 0.249 484 V C 2.648 178.712 176.094 -0.051 0.000 1.059 484 V CA 1.830 64.104 62.300 -0.042 0.000 1.051 484 V CB -0.908 30.892 31.823 -0.038 0.000 0.658 484 V HN 0.513 nan 8.190 nan 0.000 0.455 485 A N -0.810 121.990 122.820 -0.034 0.000 2.014 485 A HA 0.037 4.357 4.320 0.001 0.000 0.218 485 A C 2.080 179.643 177.584 -0.036 0.000 1.163 485 A CA 1.183 53.200 52.037 -0.033 0.000 0.652 485 A CB -0.264 18.726 19.000 -0.017 0.000 0.808 485 A HN 0.532 nan 8.150 nan 0.000 0.449 486 L N -1.499 119.706 121.223 -0.030 0.000 2.554 486 L HA 0.232 4.572 4.340 0.001 0.000 0.225 486 L C 1.786 178.638 176.870 -0.030 0.000 1.104 486 L CA 0.230 55.054 54.840 -0.026 0.000 0.866 486 L CB 0.068 42.121 42.059 -0.010 0.000 1.047 486 L HN 0.331 nan 8.230 nan 0.000 0.468 487 I N -1.754 118.793 120.570 -0.038 0.000 3.393 487 I HA -0.055 4.115 4.170 0.001 0.000 0.250 487 I C 1.808 177.877 176.117 -0.079 0.000 1.122 487 I CA 0.195 61.474 61.300 -0.036 0.000 1.484 487 I CB 0.124 38.117 38.000 -0.013 0.000 1.468 487 I HN -0.004 nan 8.210 nan 0.000 0.461 488 L N 0.489 121.641 121.223 -0.118 0.000 2.068 488 L HA -0.036 4.304 4.340 0.001 0.000 0.204 488 L C 2.410 179.159 176.870 -0.202 0.000 1.076 488 L CA 2.171 56.879 54.840 -0.220 0.000 0.753 488 L CB -0.769 41.126 42.059 -0.273 0.000 0.910 488 L HN 0.189 nan 8.230 nan 0.000 0.439 489 T N 0.536 115.009 114.554 -0.136 0.000 2.746 489 T HA -0.086 4.264 4.350 0.001 0.000 0.267 489 T C -0.575 174.071 174.700 -0.091 0.000 1.039 489 T CA 1.704 63.743 62.100 -0.101 0.000 1.142 489 T CB -1.267 67.561 68.868 -0.067 0.000 0.866 489 T HN 0.290 nan 8.240 nan 0.000 0.444 490 P HA 0.023 nan 4.420 nan 0.000 0.216 490 P C 1.465 178.706 177.300 -0.098 0.000 1.150 490 P CA 1.159 64.194 63.100 -0.109 0.000 0.837 490 P CB -0.190 31.427 31.700 -0.138 0.000 0.786 491 A N -0.810 121.953 122.820 -0.095 0.000 1.929 491 A HA -0.084 4.236 4.320 0.001 0.000 0.216 491 A C 2.157 179.721 177.584 -0.034 0.000 1.176 491 A CA 1.108 53.105 52.037 -0.065 0.000 0.628 491 A CB -1.526 17.433 19.000 -0.069 0.000 0.816 491 A HN 0.107 nan 8.150 nan 0.000 0.444 492 L N -0.914 120.273 121.223 -0.061 0.000 2.141 492 L HA -0.192 4.148 4.340 0.001 0.000 0.209 492 L C 2.342 179.218 176.870 0.010 0.000 1.094 492 L CA 0.802 55.639 54.840 -0.006 0.000 0.763 492 L CB -0.505 41.530 42.059 -0.040 0.000 0.908 492 L HN 0.444 nan 8.230 nan 0.000 0.437 493 C N -0.525 118.764 119.300 -0.019 0.000 2.456 493 C HA 0.058 4.518 4.460 0.001 0.000 0.279 493 C C 2.807 177.790 174.990 -0.012 0.000 1.427 493 C CA 0.652 59.661 59.018 -0.015 0.000 1.778 493 C CB -0.910 26.810 27.740 -0.033 0.000 1.842 493 C HN 0.580 nan 8.230 nan 0.000 0.531 494 A N 0.563 123.375 122.820 -0.014 0.000 1.973 494 A HA 0.013 4.333 4.320 0.001 0.000 0.210 494 A C 2.142 179.733 177.584 0.012 0.000 1.200 494 A CA 1.630 53.660 52.037 -0.011 0.000 0.707 494 A CB -0.502 18.481 19.000 -0.029 0.000 0.862 494 A HN 0.561 nan 8.150 nan 0.000 0.461 495 T N -3.185 111.388 114.554 0.032 0.000 2.971 495 T HA 0.242 4.592 4.350 0.001 0.000 0.252 495 T C 1.288 176.026 174.700 0.063 0.000 1.022 495 T CA 0.726 62.856 62.100 0.051 0.000 0.980 495 T CB -0.076 68.836 68.868 0.074 0.000 1.044 495 T HN 0.501 nan 8.240 nan 0.000 0.501 496 M N -0.349 119.293 119.600 0.071 0.000 2.340 496 M HA 0.582 5.062 4.480 0.001 0.000 0.345 496 M C -0.486 175.852 176.300 0.063 0.000 1.008 496 M CA -0.577 54.770 55.300 0.078 0.000 0.987 496 M CB 0.561 33.232 32.600 0.119 0.000 1.598 496 M HN 0.018 nan 8.290 nan 0.000 0.569 497 L N 2.407 123.656 121.223 0.043 0.000 2.295 497 L HA 0.516 4.856 4.340 0.001 0.000 0.285 497 L C -0.115 176.767 176.870 0.020 0.000 1.035 497 L CA -0.155 54.703 54.840 0.031 0.000 0.806 497 L CB 1.395 43.464 42.059 0.018 0.000 1.214 497 L HN 0.217 nan 8.230 nan 0.000 0.426 498 K N 6.586 126.996 120.400 0.017 0.000 2.412 498 K HA 0.235 4.555 4.320 0.001 0.000 0.281 498 K C -2.215 174.384 176.600 -0.001 0.000 1.027 498 K CA -1.375 54.918 56.287 0.009 0.000 0.989 498 K CB 0.522 33.026 32.500 0.007 0.000 0.935 498 K HN 0.433 nan 8.250 nan 0.000 0.475 499 P HA 0.084 nan 4.420 nan 0.000 0.271 499 P C -0.718 176.573 177.300 -0.015 0.000 1.216 499 P CA 0.281 63.376 63.100 -0.008 0.000 0.771 499 P CB 0.575 32.272 31.700 -0.004 0.000 0.864 500 I N 1.803 122.360 120.570 -0.022 0.000 2.465 500 I HA 0.448 4.618 4.170 0.001 0.000 0.291 500 I C 0.661 176.755 176.117 -0.039 0.000 1.014 500 I CA -1.169 60.111 61.300 -0.033 0.000 1.093 500 I CB 2.033 40.006 38.000 -0.045 0.000 1.267 500 I HN 0.327 nan 8.210 nan 0.000 0.431 501 A N 5.830 128.626 122.820 -0.039 0.000 2.366 501 A HA 0.231 4.551 4.320 0.001 0.000 0.249 501 A C 0.156 177.704 177.584 -0.060 0.000 1.084 501 A CA -0.313 51.702 52.037 -0.038 0.000 0.794 501 A CB 0.344 19.328 19.000 -0.026 0.000 1.034 501 A HN 0.760 nan 8.150 nan 0.000 0.491 502 K N 0.370 120.742 120.400 -0.046 0.000 2.416 502 K HA 0.333 4.653 4.320 0.001 0.000 0.283 502 K C 1.038 177.599 176.600 -0.065 0.000 1.037 502 K CA 1.035 57.290 56.287 -0.054 0.000 0.995 502 K CB -0.175 32.312 32.500 -0.021 0.000 0.938 502 K HN 1.594 nan 8.250 nan 0.000 0.475 503 G N 3.659 112.381 108.800 -0.130 0.000 2.159 503 G HA2 -0.277 3.683 3.960 0.001 0.000 0.256 503 G HA3 -0.277 3.683 3.960 0.001 0.000 0.256 503 G C 0.673 175.495 174.900 -0.130 0.000 0.977 503 G CA 0.384 45.426 45.100 -0.097 0.000 0.652 503 G HN 0.858 nan 8.290 nan 0.000 0.531 504 D N 0.540 120.812 120.400 -0.212 0.000 2.095 504 D HA -0.167 4.473 4.640 0.001 0.000 0.192 504 D C 1.452 177.733 176.300 -0.031 0.000 0.990 504 D CA 1.711 55.648 54.000 -0.106 0.000 0.836 504 D CB -0.269 40.473 40.800 -0.096 0.000 0.979 504 D HN 0.625 nan 8.370 nan 0.000 0.447 505 H N -1.739 117.339 119.070 0.013 0.000 3.047 505 H HA -0.166 4.391 4.556 0.001 0.000 0.263 505 H C 1.260 176.603 175.328 0.024 0.000 1.168 505 H CA 1.192 57.251 56.048 0.018 0.000 1.152 505 H CB -1.892 27.873 29.762 0.007 0.000 1.278 505 H HN 0.496 nan 8.280 nan 0.000 0.339 506 G N 0.197 109.047 108.800 0.083 0.000 2.212 506 G HA2 -0.401 3.559 3.960 0.001 0.000 0.267 506 G HA3 -0.401 3.559 3.960 0.001 0.000 0.267 506 G C 0.986 175.936 174.900 0.084 0.000 1.002 506 G CA 1.154 46.292 45.100 0.064 0.000 0.729 506 G HN 0.648 nan 8.290 nan 0.000 0.517 507 E N -0.433 119.823 120.200 0.093 0.000 2.318 507 E HA 0.164 4.515 4.350 0.001 0.000 0.193 507 E C 2.099 178.744 176.600 0.076 0.000 0.998 507 E CA 0.276 56.725 56.400 0.082 0.000 0.859 507 E CB 0.026 29.763 29.700 0.062 0.000 0.812 507 E HN 0.428 nan 8.360 nan 0.000 0.492 508 G N 2.153 110.994 108.800 0.068 0.000 3.284 508 G HA2 0.053 4.013 3.960 0.001 0.000 0.251 508 G HA3 0.053 4.013 3.960 0.001 0.000 0.251 508 G C -0.150 174.795 174.900 0.076 0.000 0.913 508 G CA 0.028 45.166 45.100 0.062 0.000 1.947 508 G HN -0.140 nan 8.290 nan 0.000 0.635 509 K N 0.732 121.197 120.400 0.107 0.000 2.565 509 K HA 0.356 4.677 4.320 0.001 0.000 0.251 509 K C -0.436 176.284 176.600 0.200 0.000 0.956 509 K CA -0.890 55.483 56.287 0.144 0.000 0.809 509 K CB 1.556 34.147 32.500 0.151 0.000 1.267 509 K HN 0.164 nan 8.250 nan 0.000 0.438 510 K N 2.419 122.944 120.400 0.207 0.000 2.258 510 K HA 0.865 5.185 4.320 0.001 0.000 0.236 510 K C 0.386 177.138 176.600 0.254 0.000 1.008 510 K CA 0.056 56.494 56.287 0.252 0.000 0.869 510 K CB 1.415 34.032 32.500 0.196 0.000 1.171 510 K HN 0.750 nan 8.250 nan 0.000 0.447 511 G N 0.557 109.471 108.800 0.190 0.000 3.146 511 G HA2 -0.244 3.717 3.960 0.001 0.000 0.242 511 G HA3 -0.244 3.717 3.960 0.001 0.000 0.242 511 G C 0.257 174.908 174.900 -0.416 0.000 1.853 511 G CA 0.170 45.281 45.100 0.019 0.000 1.465 511 G HN 0.505 nan 8.290 nan 0.000 0.537 512 F N -0.575 119.203 119.950 -0.286 0.000 2.577 512 F HA 0.479 5.006 4.527 0.001 0.000 0.282 512 F C 2.181 177.917 175.800 -0.107 0.000 0.957 512 F CA 0.456 58.199 58.000 -0.429 0.000 1.168 512 F CB -0.110 38.510 39.000 -0.635 0.000 0.958 512 F HN 0.206 nan 8.300 nan 0.000 0.702 513 F N 0.089 120.227 119.950 0.313 0.000 2.187 513 F HA 0.121 4.648 4.527 0.001 0.000 0.295 513 F C 2.512 178.492 175.800 0.300 0.000 1.091 513 F CA 1.303 59.431 58.000 0.212 0.000 1.308 513 F CB -1.165 37.884 39.000 0.082 0.000 1.030 513 F HN -0.028 nan 8.300 nan 0.000 0.487 514 G N -1.549 107.538 108.800 0.478 0.000 2.712 514 G HA2 -0.166 3.795 3.960 0.001 0.000 0.212 514 G HA3 -0.166 3.795 3.960 0.001 0.000 0.212 514 G C 1.021 176.159 174.900 0.396 0.000 1.142 514 G CA -0.112 45.209 45.100 0.369 0.000 0.789 514 G HN 0.259 nan 8.290 nan 0.000 0.535 515 W N 0.723 122.111 121.300 0.147 0.000 2.387 515 W HA 0.060 4.720 4.660 0.001 0.000 0.272 515 W C 1.839 178.315 176.519 -0.071 0.000 1.224 515 W CA 0.419 57.749 57.345 -0.025 0.000 1.210 515 W CB -0.484 28.872 29.460 -0.173 0.000 1.125 515 W HN 0.226 nan 8.180 nan 0.000 0.572 516 F N -0.068 119.975 119.950 0.155 0.000 2.187 516 F HA -0.130 4.397 4.527 0.000 0.000 0.295 516 F C 2.039 177.845 175.800 0.010 0.000 1.091 516 F CA 1.376 59.397 58.000 0.035 0.000 1.308 516 F CB -1.175 37.809 39.000 -0.027 0.000 1.030 516 F HN -0.234 nan 8.300 nan 0.000 0.487 517 N N 0.175 119.014 118.700 0.232 0.000 2.106 517 N HA -0.090 4.650 4.740 0.001 0.000 0.188 517 N C 1.754 177.328 175.510 0.106 0.000 1.029 517 N CA 1.055 54.196 53.050 0.152 0.000 0.848 517 N CB -0.310 38.257 38.487 0.132 0.000 1.007 517 N HN 0.092 nan 8.380 nan 0.000 0.423 518 R N -0.099 120.435 120.500 0.055 0.000 2.115 518 R HA 0.056 4.397 4.340 0.001 0.000 0.230 518 R C 2.103 178.367 176.300 -0.060 0.000 1.111 518 R CA 0.762 56.849 56.100 -0.022 0.000 0.976 518 R CB -0.182 30.084 30.300 -0.057 0.000 0.870 518 R HN 0.240 nan 8.270 nan 0.000 0.445 519 M N -0.287 119.281 119.600 -0.054 0.000 2.086 519 M HA -0.165 4.315 4.480 0.001 0.000 0.261 519 M C 1.739 178.022 176.300 -0.029 0.000 1.067 519 M CA 1.799 57.050 55.300 -0.081 0.000 1.116 519 M CB -0.328 32.206 32.600 -0.109 0.000 1.348 519 M HN 0.138 nan 8.290 nan 0.000 0.407 520 F N 1.133 121.016 119.950 -0.112 0.000 2.206 520 F HA -0.136 4.391 4.527 0.000 0.000 0.298 520 F C 2.188 177.926 175.800 -0.103 0.000 1.090 520 F CA 1.815 59.747 58.000 -0.114 0.000 1.323 520 F CB -0.320 38.617 39.000 -0.105 0.000 1.028 520 F HN 0.240 nan 8.300 nan 0.000 0.492 521 E N 0.482 120.640 120.200 -0.070 0.000 2.110 521 E HA -0.175 4.176 4.350 0.001 0.000 0.193 521 E C 2.096 178.524 176.600 -0.287 0.000 0.988 521 E CA 1.450 57.731 56.400 -0.197 0.000 0.804 521 E CB -0.114 29.496 29.700 -0.151 0.000 0.745 521 E HN 0.327 nan 8.360 nan 0.000 0.458 522 K N -0.441 119.836 120.400 -0.206 0.000 2.076 522 K HA -0.047 4.273 4.320 0.001 0.000 0.204 522 K C 2.281 178.833 176.600 -0.081 0.000 1.051 522 K CA 1.239 57.443 56.287 -0.138 0.000 0.949 522 K CB -0.048 32.384 32.500 -0.112 0.000 0.726 522 K HN 0.191 nan 8.250 nan 0.000 0.443 523 S N 0.141 115.731 115.700 -0.184 0.000 2.402 523 S HA -0.133 4.337 4.470 0.001 0.000 0.229 523 S C 2.100 176.527 174.600 -0.289 0.000 1.021 523 S CA 1.668 59.754 58.200 -0.189 0.000 0.974 523 S CB -0.484 62.549 63.200 -0.278 0.000 0.800 523 S HN 0.181 nan 8.310 nan 0.000 0.484 524 T N 0.550 114.800 114.554 -0.506 0.000 2.867 524 T HA -0.074 4.276 4.350 0.001 0.000 0.268 524 T C 1.628 176.292 174.700 -0.060 0.000 1.057 524 T CA 1.360 63.189 62.100 -0.451 0.000 1.136 524 T CB -0.461 68.005 68.868 -0.669 0.000 0.874 524 T HN 0.581 nan 8.240 nan 0.000 0.466 525 H N -0.804 118.172 119.070 -0.156 0.000 2.470 525 H HA 0.137 4.693 4.556 0.001 0.000 0.289 525 H C 1.983 177.310 175.328 -0.002 0.000 1.033 525 H CA 1.339 57.342 56.048 -0.075 0.000 1.331 525 H CB -0.231 29.485 29.762 -0.076 0.000 1.414 525 H HN 0.486 nan 8.280 nan 0.000 0.545 526 H N -1.215 117.902 119.070 0.078 0.000 2.395 526 H HA -0.096 4.461 4.556 0.000 0.000 0.299 526 H C 1.380 176.806 175.328 0.163 0.000 1.070 526 H CA 1.282 57.387 56.048 0.096 0.000 1.356 526 H CB 0.043 29.866 29.762 0.101 0.000 1.401 526 H HN 0.234 nan 8.280 nan 0.000 0.524 527 Y N -0.481 119.844 120.300 0.042 0.000 2.181 527 Y HA -0.190 4.360 4.550 0.001 0.000 0.288 527 Y C 2.896 178.734 175.900 -0.104 0.000 1.146 527 Y CA 1.716 59.800 58.100 -0.026 0.000 1.164 527 Y CB -0.864 37.533 38.460 -0.105 0.000 0.982 527 Y HN 0.221 nan 8.280 nan 0.000 0.515 528 T N -0.903 113.668 114.554 0.027 0.000 2.995 528 T HA -0.116 4.234 4.350 0.001 0.000 0.269 528 T C 1.508 176.140 174.700 -0.112 0.000 1.091 528 T CA 1.358 63.408 62.100 -0.084 0.000 1.128 528 T CB -0.236 68.547 68.868 -0.141 0.000 0.891 528 T HN 0.226 nan 8.240 nan 0.000 0.492 529 D N 0.802 121.132 120.400 -0.118 0.000 2.123 529 D HA -0.047 4.593 4.640 0.001 0.000 0.200 529 D C 2.501 178.722 176.300 -0.132 0.000 0.976 529 D CA 1.530 55.441 54.000 -0.150 0.000 0.831 529 D CB -0.291 40.377 40.800 -0.220 0.000 0.974 529 D HN 0.582 nan 8.370 nan 0.000 0.469 530 S N -0.212 115.424 115.700 -0.106 0.000 2.428 530 S HA -0.061 4.409 4.470 0.001 0.000 0.230 530 S C 2.169 176.728 174.600 -0.068 0.000 1.014 530 S CA 0.461 58.620 58.200 -0.068 0.000 0.957 530 S CB -0.411 62.793 63.200 0.006 0.000 0.784 530 S HN 0.050 nan 8.310 nan 0.000 0.499 531 V N 2.251 122.112 119.914 -0.088 0.000 2.515 531 V HA 0.011 4.131 4.120 0.001 0.000 0.250 531 V C 2.829 178.844 176.094 -0.133 0.000 1.058 531 V CA 1.637 63.860 62.300 -0.128 0.000 1.064 531 V CB -1.523 30.205 31.823 -0.158 0.000 0.675 531 V HN 0.649 nan 8.190 nan 0.000 0.461 532 G N 0.107 108.838 108.800 -0.115 0.000 2.422 532 G HA2 -0.108 3.853 3.960 0.001 0.000 0.218 532 G HA3 -0.108 3.853 3.960 0.001 0.000 0.218 532 G C 1.556 176.395 174.900 -0.102 0.000 1.140 532 G CA 0.898 45.937 45.100 -0.103 0.000 0.775 532 G HN 0.573 nan 8.290 nan 0.000 0.545 533 G N 1.520 110.253 108.800 -0.111 0.000 2.396 533 G HA2 -0.025 3.935 3.960 0.001 0.000 0.214 533 G HA3 -0.025 3.935 3.960 0.001 0.000 0.214 533 G C 1.766 176.582 174.900 -0.140 0.000 1.166 533 G CA 0.991 46.030 45.100 -0.102 0.000 0.793 533 G HN 0.589 nan 8.290 nan 0.000 0.533 534 I N -1.036 119.388 120.570 -0.244 0.000 2.567 534 I HA 0.069 4.239 4.170 0.001 0.000 0.257 534 I C 2.142 178.061 176.117 -0.330 0.000 1.184 534 I CA 1.109 62.123 61.300 -0.478 0.000 1.451 534 I CB -0.247 37.277 38.000 -0.793 0.000 1.089 534 I HN 0.043 nan 8.210 nan 0.000 0.441 535 L N -0.162 120.939 121.223 -0.203 0.000 2.509 535 L HA 0.182 4.523 4.340 0.001 0.000 0.222 535 L C 2.598 179.421 176.870 -0.079 0.000 1.123 535 L CA 0.275 55.037 54.840 -0.130 0.000 0.856 535 L CB -0.433 41.566 42.059 -0.101 0.000 0.985 535 L HN 0.131 nan 8.230 nan 0.000 0.456 536 R N 0.325 120.782 120.500 -0.072 0.000 2.117 536 R HA -0.106 4.235 4.340 0.001 0.000 0.243 536 R C 0.535 176.822 176.300 -0.023 0.000 1.143 536 R CA 1.449 57.524 56.100 -0.041 0.000 0.968 536 R CB -0.097 30.183 30.300 -0.034 0.000 0.863 536 R HN 0.430 nan 8.270 nan 0.000 0.444 537 S N -2.660 113.031 115.700 -0.015 0.000 2.533 537 S HA 0.209 4.679 4.470 0.001 0.000 0.271 537 S C 0.356 174.973 174.600 0.029 0.000 1.143 537 S CA -0.958 57.247 58.200 0.009 0.000 0.891 537 S CB 2.068 65.283 63.200 0.025 0.000 1.105 537 S HN -0.025 nan 8.310 nan 0.000 0.468 538 T N 2.497 117.070 114.554 0.033 0.000 2.684 538 T HA 0.161 4.511 4.350 0.001 0.000 0.267 538 T C 1.737 176.525 174.700 0.146 0.000 1.036 538 T CA 1.789 63.927 62.100 0.065 0.000 1.148 538 T CB -1.376 67.524 68.868 0.054 0.000 0.863 538 T HN 1.631 nan 8.240 nan 0.000 0.436 539 G N 1.391 110.252 108.800 0.101 0.000 2.684 539 G HA2 -0.460 3.501 3.960 0.001 0.000 0.332 539 G HA3 -0.460 3.501 3.960 0.001 0.000 0.332 539 G C 0.923 175.867 174.900 0.073 0.000 1.306 539 G CA 1.230 46.380 45.100 0.083 0.000 1.002 539 G HN 0.465 nan 8.290 nan 0.000 0.545 540 R N -0.547 119.950 120.500 -0.004 0.000 2.189 540 R HA 0.117 4.457 4.340 0.001 0.000 0.223 540 R C 2.559 178.804 176.300 -0.092 0.000 1.092 540 R CA 1.848 57.887 56.100 -0.101 0.000 0.989 540 R CB -0.459 29.700 30.300 -0.234 0.000 0.876 540 R HN 0.658 nan 8.270 nan 0.000 0.457 541 Y N -0.974 119.345 120.300 0.032 0.000 2.293 541 Y HA -0.157 4.394 4.550 0.001 0.000 0.291 541 Y C 1.752 177.823 175.900 0.284 0.000 1.137 541 Y CA 0.842 58.981 58.100 0.065 0.000 1.202 541 Y CB -0.100 38.265 38.460 -0.159 0.000 0.990 541 Y HN 0.074 nan 8.280 nan 0.000 0.537 542 L N -1.043 120.377 121.223 0.329 0.000 2.313 542 L HA -0.080 4.260 4.340 0.001 0.000 0.214 542 L C 1.930 178.979 176.870 0.299 0.000 1.119 542 L CA 0.982 56.013 54.840 0.319 0.000 0.809 542 L CB -0.295 41.885 42.059 0.201 0.000 0.933 542 L HN 0.017 nan 8.230 nan 0.000 0.449 543 V N -1.196 118.839 119.914 0.202 0.000 2.346 543 V HA -0.182 3.939 4.120 0.001 0.000 0.244 543 V C 2.269 178.450 176.094 0.145 0.000 1.037 543 V CA 1.218 63.600 62.300 0.136 0.000 1.029 543 V CB -0.547 31.312 31.823 0.061 0.000 0.663 543 V HN 0.381 nan 8.190 nan 0.000 0.454 544 L N -0.256 121.065 121.223 0.164 0.000 2.127 544 L HA -0.201 4.139 4.340 0.001 0.000 0.211 544 L C 2.270 179.273 176.870 0.222 0.000 1.089 544 L CA 2.014 56.956 54.840 0.171 0.000 0.757 544 L CB -0.901 41.261 42.059 0.171 0.000 0.899 544 L HN 0.499 nan 8.230 nan 0.000 0.434 545 Y N -0.782 119.634 120.300 0.193 0.000 2.181 545 Y HA -0.232 4.319 4.550 0.001 0.000 0.288 545 Y C 2.243 178.146 175.900 0.007 0.000 1.146 545 Y CA 1.853 59.961 58.100 0.013 0.000 1.164 545 Y CB -0.155 38.386 38.460 0.136 0.000 0.982 545 Y HN 0.179 nan 8.280 nan 0.000 0.515 546 L N -0.150 121.101 121.223 0.046 0.000 2.131 546 L HA -0.223 4.117 4.340 0.001 0.000 0.210 546 L C 2.214 179.022 176.870 -0.105 0.000 1.092 546 L CA 1.213 56.015 54.840 -0.064 0.000 0.759 546 L CB -0.360 41.730 42.059 0.052 0.000 0.903 546 L HN 0.338 nan 8.230 nan 0.000 0.435 547 I N -0.663 119.874 120.570 -0.054 0.000 2.252 547 I HA -0.302 3.868 4.170 0.001 0.000 0.245 547 I C 2.301 178.370 176.117 -0.081 0.000 1.102 547 I CA 1.331 62.601 61.300 -0.049 0.000 1.385 547 I CB -0.267 37.724 38.000 -0.014 0.000 1.064 547 I HN 0.147 nan 8.210 nan 0.000 0.414 548 I N 0.233 120.725 120.570 -0.130 0.000 2.208 548 I HA -0.260 3.910 4.170 0.001 0.000 0.245 548 I C 2.531 178.525 176.117 -0.205 0.000 1.097 548 I CA 1.229 62.432 61.300 -0.161 0.000 1.363 548 I CB -0.335 37.531 38.000 -0.223 0.000 1.051 548 I HN 0.029 nan 8.210 nan 0.000 0.413 549 V N 0.264 119.980 119.914 -0.330 0.000 2.295 549 V HA -0.237 3.883 4.120 0.001 0.000 0.246 549 V C 2.412 178.424 176.094 -0.137 0.000 1.049 549 V CA 1.643 63.769 62.300 -0.290 0.000 1.024 549 V CB -0.446 31.148 31.823 -0.380 0.000 0.648 549 V HN 0.238 nan 8.190 nan 0.000 0.447 550 V N 0.975 120.829 119.914 -0.100 0.000 2.407 550 V HA -0.163 3.957 4.120 0.001 0.000 0.248 550 V C 2.606 178.718 176.094 0.030 0.000 1.055 550 V CA 2.106 64.386 62.300 -0.033 0.000 1.049 550 V CB -1.364 30.436 31.823 -0.039 0.000 0.662 550 V HN 0.621 nan 8.190 nan 0.000 0.455 551 G N -1.044 107.767 108.800 0.017 0.000 2.443 551 G HA2 -0.257 3.704 3.960 0.001 0.000 0.219 551 G HA3 -0.257 3.704 3.960 0.001 0.000 0.219 551 G C 1.575 176.535 174.900 0.099 0.000 1.131 551 G CA 0.945 46.094 45.100 0.082 0.000 0.775 551 G HN 0.427 nan 8.290 nan 0.000 0.547 552 M N 0.899 120.520 119.600 0.036 0.000 2.098 552 M HA 0.101 4.581 4.480 0.001 0.000 0.262 552 M C 2.802 179.162 176.300 0.099 0.000 1.072 552 M CA 1.678 57.008 55.300 0.049 0.000 1.133 552 M CB -0.234 32.353 32.600 -0.023 0.000 1.344 552 M HN 0.249 nan 8.290 nan 0.000 0.414 553 A N -0.428 122.423 122.820 0.053 0.000 1.940 553 A HA -0.251 4.069 4.320 0.001 0.000 0.219 553 A C 1.954 179.636 177.584 0.163 0.000 1.176 553 A CA 1.733 53.804 52.037 0.057 0.000 0.631 553 A CB -1.283 17.717 19.000 -0.001 0.000 0.814 553 A HN 0.766 nan 8.150 nan 0.000 0.446 554 Y N 0.173 120.503 120.300 0.050 0.000 2.220 554 Y HA -0.023 4.528 4.550 0.000 0.000 0.291 554 Y C 1.873 177.823 175.900 0.083 0.000 1.129 554 Y CA 1.466 59.600 58.100 0.057 0.000 1.161 554 Y CB -0.335 38.142 38.460 0.028 0.000 0.997 554 Y HN 0.193 nan 8.280 nan 0.000 0.522 555 L N -1.070 120.135 121.223 -0.031 0.000 2.265 555 L HA -0.200 4.140 4.340 0.001 0.000 0.215 555 L C 2.132 178.967 176.870 -0.059 0.000 1.117 555 L CA 1.102 55.880 54.840 -0.103 0.000 0.782 555 L CB -0.562 41.512 42.059 0.025 0.000 0.914 555 L HN 0.254 nan 8.230 nan 0.000 0.441 556 F N -0.430 119.468 119.950 -0.088 0.000 2.149 556 F HA -0.164 4.363 4.527 0.000 0.000 0.294 556 F C 2.234 177.991 175.800 -0.071 0.000 1.095 556 F CA 1.199 59.175 58.000 -0.040 0.000 1.276 556 F CB 0.091 39.084 39.000 -0.010 0.000 1.023 556 F HN -0.266 nan 8.300 nan 0.000 0.480 557 V N 0.503 120.509 119.914 0.154 0.000 2.358 557 V HA -0.243 3.878 4.120 0.001 0.000 0.246 557 V C 2.440 178.481 176.094 -0.088 0.000 1.047 557 V CA 1.628 63.965 62.300 0.062 0.000 1.035 557 V CB -0.625 31.236 31.823 0.063 0.000 0.658 557 V HN 0.212 nan 8.190 nan 0.000 0.452 558 R N -0.330 120.017 120.500 -0.256 0.000 2.148 558 R HA 0.086 4.427 4.340 0.001 0.000 0.227 558 R C 1.062 177.246 176.300 -0.193 0.000 1.103 558 R CA 0.309 56.252 56.100 -0.262 0.000 0.983 558 R CB -0.655 29.387 30.300 -0.430 0.000 0.874 558 R HN 0.374 nan 8.270 nan 0.000 0.451 559 L N 4.822 125.918 121.223 -0.211 0.000 2.456 559 L HA 0.110 4.451 4.340 0.001 0.000 0.277 559 L C -1.886 174.865 176.870 -0.199 0.000 1.124 559 L CA -1.349 53.352 54.840 -0.231 0.000 0.880 559 L CB 0.825 42.691 42.059 -0.323 0.000 1.192 559 L HN -0.082 nan 8.230 nan 0.000 0.463 560 P HA 0.104 nan 4.420 nan 0.000 0.272 560 P C -0.976 176.247 177.300 -0.129 0.000 1.230 560 P CA -0.351 62.678 63.100 -0.118 0.000 0.788 560 P CB 1.060 32.705 31.700 -0.091 0.000 0.949 561 S N 0.245 115.891 115.700 -0.089 0.000 2.578 561 S HA 0.684 5.154 4.470 0.001 0.000 0.301 561 S C -0.019 174.559 174.600 -0.037 0.000 1.091 561 S CA -0.556 57.603 58.200 -0.069 0.000 1.032 561 S CB 1.353 64.531 63.200 -0.038 0.000 1.064 561 S HN 0.419 nan 8.310 nan 0.000 0.508 562 S N -0.117 115.575 115.700 -0.013 0.000 2.837 562 S HA 0.699 5.169 4.470 0.001 0.000 0.314 562 S C -0.280 174.375 174.600 0.092 0.000 1.098 562 S CA -0.542 57.676 58.200 0.031 0.000 0.903 562 S CB 0.953 64.170 63.200 0.028 0.000 1.310 562 S HN 0.770 nan 8.310 nan 0.000 0.581 563 F N 0.063 119.982 119.950 -0.052 0.000 2.534 563 F HA 0.636 5.163 4.527 0.001 0.000 0.274 563 F C -0.782 174.961 175.800 -0.094 0.000 0.917 563 F CA 0.154 58.111 58.000 -0.072 0.000 1.145 563 F CB 0.171 39.130 39.000 -0.070 0.000 1.145 563 F HN 0.345 nan 8.300 nan 0.000 0.746 564 L N 2.331 123.530 121.223 -0.041 0.000 2.470 564 L HA 0.497 4.838 4.340 0.001 0.000 0.268 564 L C -2.539 174.392 176.870 0.103 0.000 0.964 564 L CA -2.242 52.513 54.840 -0.142 0.000 0.839 564 L CB 1.455 43.392 42.059 -0.202 0.000 1.276 564 L HN 0.023 nan 8.230 nan 0.000 0.403 565 P HA 0.132 nan 4.420 nan 0.000 0.268 565 P C -0.845 176.580 177.300 0.208 0.000 1.205 565 P CA -0.240 62.968 63.100 0.181 0.000 0.771 565 P CB 0.730 32.558 31.700 0.214 0.000 0.858 566 D N 1.864 122.362 120.400 0.163 0.000 2.361 566 D HA 0.156 4.797 4.640 0.001 0.000 0.239 566 D C 0.622 177.012 176.300 0.150 0.000 1.200 566 D CA 0.400 54.490 54.000 0.151 0.000 0.915 566 D CB 0.922 41.791 40.800 0.115 0.000 1.170 566 D HN 0.398 nan 8.370 nan 0.000 0.444 567 E N 0.058 120.322 120.200 0.106 0.000 2.423 567 E HA 0.197 4.547 4.350 0.001 0.000 0.269 567 E C -0.890 175.728 176.600 0.029 0.000 0.948 567 E CA -0.682 55.769 56.400 0.085 0.000 0.802 567 E CB 1.546 31.297 29.700 0.085 0.000 1.339 567 E HN 0.304 nan 8.360 nan 0.000 0.445 568 D N 1.208 121.667 120.400 0.097 0.000 2.396 568 D HA 0.094 4.734 4.640 0.001 0.000 0.225 568 D C -0.275 176.149 176.300 0.206 0.000 1.121 568 D CA -0.000 54.108 54.000 0.179 0.000 0.853 568 D CB 0.692 41.673 40.800 0.301 0.000 1.043 568 D HN 0.268 nan 8.370 nan 0.000 0.500 569 Q N 2.038 121.849 119.800 0.018 0.000 2.220 569 Q HA 0.235 4.575 4.340 0.001 0.000 0.205 569 Q C 1.115 177.289 176.000 0.289 0.000 0.865 569 Q CA -0.084 55.656 55.803 -0.105 0.000 0.960 569 Q CB 0.884 29.324 28.738 -0.497 0.000 1.097 569 Q HN 0.775 nan 8.270 nan 0.000 0.493 570 G N 0.766 109.681 108.800 0.191 0.000 2.179 570 G HA2 -0.262 3.698 3.960 0.001 0.000 0.257 570 G HA3 -0.262 3.698 3.960 0.001 0.000 0.257 570 G C -0.123 174.709 174.900 -0.112 0.000 1.010 570 G CA 0.420 45.381 45.100 -0.231 0.000 0.736 570 G HN 0.292 nan 8.290 nan 0.000 0.513 571 V N -0.134 119.788 119.914 0.013 0.000 2.903 571 V HA 0.695 4.815 4.120 0.001 0.000 0.289 571 V C -0.555 175.639 176.094 0.166 0.000 1.355 571 V CA -0.309 61.964 62.300 -0.045 0.000 0.953 571 V CB 1.781 33.437 31.823 -0.277 0.000 1.102 571 V HN 1.264 nan 8.190 nan 0.000 0.435 572 F N 3.919 123.922 119.950 0.089 0.000 2.789 572 F HA 0.925 5.452 4.527 0.001 0.000 0.319 572 F C -0.964 174.870 175.800 0.056 0.000 1.168 572 F CA -1.238 56.807 58.000 0.075 0.000 0.934 572 F CB 1.862 40.852 39.000 -0.017 0.000 1.375 572 F HN 0.505 nan 8.300 nan 0.000 0.480 573 M N 0.800 120.412 119.600 0.020 0.000 2.631 573 M HA 0.722 5.202 4.480 0.001 0.000 0.288 573 M C -1.542 174.479 176.300 -0.466 0.000 1.260 573 M CA -0.650 54.470 55.300 -0.299 0.000 0.842 573 M CB 2.103 34.496 32.600 -0.345 0.000 1.743 573 M HN 0.820 nan 8.290 nan 0.000 0.461 574 T N 2.316 116.723 114.554 -0.244 0.000 2.937 574 T HA 0.620 4.971 4.350 0.001 0.000 0.297 574 T C -0.634 174.123 174.700 0.095 0.000 0.991 574 T CA -0.828 61.271 62.100 -0.002 0.000 0.990 574 T CB 0.946 69.954 68.868 0.234 0.000 0.991 574 T HN 0.831 nan 8.240 nan 0.000 0.440 575 M N 3.427 123.228 119.600 0.335 0.000 2.255 575 M HA 0.784 5.265 4.480 0.001 0.000 0.336 575 M C -1.121 175.270 176.300 0.152 0.000 1.135 575 M CA -0.609 54.851 55.300 0.267 0.000 1.145 575 M CB 1.119 33.947 32.600 0.380 0.000 1.473 575 M HN 0.240 nan 8.290 nan 0.000 0.462 576 V N 2.082 122.038 119.914 0.071 0.000 2.482 576 V HA 0.395 4.515 4.120 0.001 0.000 0.295 576 V C -0.794 175.318 176.094 0.030 0.000 1.026 576 V CA -0.444 61.861 62.300 0.008 0.000 0.856 576 V CB 1.536 33.326 31.823 -0.055 0.000 1.001 576 V HN 0.956 nan 8.190 nan 0.000 0.424 577 Q N 4.715 124.541 119.800 0.043 0.000 2.292 577 Q HA 0.609 4.949 4.340 0.001 0.000 0.270 577 Q C -1.461 174.555 176.000 0.028 0.000 1.024 577 Q CA -0.549 55.281 55.803 0.046 0.000 0.768 577 Q CB 2.038 30.823 28.738 0.079 0.000 1.250 577 Q HN 0.689 nan 8.270 nan 0.000 0.447 578 L N 3.725 124.958 121.223 0.017 0.000 2.469 578 L HA 0.585 4.925 4.340 0.001 0.000 0.253 578 L C -1.823 175.061 176.870 0.023 0.000 1.143 578 L CA -1.994 52.853 54.840 0.011 0.000 0.804 578 L CB 0.120 42.181 42.059 0.003 0.000 1.214 578 L HN 0.540 nan 8.230 nan 0.000 0.476 579 P HA 0.032 nan 4.420 nan 0.000 0.271 579 P C -0.862 176.456 177.300 0.030 0.000 1.244 579 P CA -0.402 62.712 63.100 0.023 0.000 0.793 579 P CB 0.387 32.095 31.700 0.013 0.000 0.984 580 A N 0.249 123.092 122.820 0.038 0.000 2.492 580 A HA 0.450 4.770 4.320 0.001 0.000 0.254 580 A C 1.340 178.949 177.584 0.042 0.000 1.091 580 A CA 0.716 52.782 52.037 0.050 0.000 0.768 580 A CB -1.417 17.623 19.000 0.066 0.000 1.028 580 A HN 0.869 nan 8.150 nan 0.000 0.498 581 G N 0.815 109.643 108.800 0.047 0.000 2.211 581 G HA2 0.207 4.167 3.960 0.001 0.000 0.201 581 G HA3 0.207 4.167 3.960 0.001 0.000 0.201 581 G C 0.572 175.491 174.900 0.032 0.000 0.997 581 G CA 0.183 45.306 45.100 0.039 0.000 0.652 581 G HN 2.052 nan 8.290 nan 0.000 0.500 582 A N 0.501 123.338 122.820 0.029 0.000 2.366 582 A HA 0.732 5.052 4.320 0.001 0.000 0.249 582 A C 0.925 178.525 177.584 0.027 0.000 1.084 582 A CA 1.328 53.377 52.037 0.021 0.000 0.794 582 A CB 0.277 19.287 19.000 0.015 0.000 1.034 582 A HN 1.785 nan 8.150 nan 0.000 0.491 583 T N -1.364 113.202 114.554 0.019 0.000 2.950 583 T HA 0.362 4.712 4.350 0.001 0.000 0.288 583 T C 0.911 175.623 174.700 0.020 0.000 1.035 583 T CA -0.065 62.048 62.100 0.022 0.000 1.028 583 T CB 1.317 70.193 68.868 0.014 0.000 1.109 583 T HN 0.703 nan 8.240 nan 0.000 0.514 584 Q N -0.032 119.784 119.800 0.026 0.000 2.173 584 Q HA -0.236 4.104 4.340 0.001 0.000 0.208 584 Q C 1.860 177.867 176.000 0.011 0.000 0.989 584 Q CA 2.001 57.821 55.803 0.028 0.000 0.872 584 Q CB -0.069 28.692 28.738 0.039 0.000 0.909 584 Q HN 0.875 nan 8.270 nan 0.000 0.420 585 E N -0.580 119.620 120.200 0.001 0.000 2.299 585 E HA -0.078 4.272 4.350 0.001 0.000 0.193 585 E C 1.947 178.538 176.600 -0.015 0.000 0.998 585 E CA 0.015 56.408 56.400 -0.011 0.000 0.851 585 E CB 0.270 29.958 29.700 -0.019 0.000 0.795 585 E HN 0.280 nan 8.360 nan 0.000 0.492 586 R N -0.108 120.386 120.500 -0.011 0.000 2.075 586 R HA -0.059 4.281 4.340 0.001 0.000 0.226 586 R C 2.571 178.860 176.300 -0.019 0.000 1.114 586 R CA 1.689 57.780 56.100 -0.015 0.000 0.972 586 R CB -0.298 29.996 30.300 -0.010 0.000 0.869 586 R HN 0.235 nan 8.270 nan 0.000 0.437 587 T N -1.003 113.543 114.554 -0.013 0.000 2.746 587 T HA -0.202 4.149 4.350 0.001 0.000 0.267 587 T C 1.889 176.571 174.700 -0.029 0.000 1.039 587 T CA 1.181 63.270 62.100 -0.019 0.000 1.142 587 T CB -0.235 68.630 68.868 -0.005 0.000 0.866 587 T HN 0.044 nan 8.240 nan 0.000 0.444 588 Q N 1.734 121.522 119.800 -0.021 0.000 2.112 588 Q HA -0.089 4.251 4.340 0.001 0.000 0.206 588 Q C 2.192 178.170 176.000 -0.037 0.000 0.987 588 Q CA 1.841 57.627 55.803 -0.027 0.000 0.858 588 Q CB -0.419 28.307 28.738 -0.020 0.000 0.905 588 Q HN 0.650 nan 8.270 nan 0.000 0.420 589 K N -1.164 119.215 120.400 -0.036 0.000 2.148 589 K HA -0.060 4.260 4.320 0.001 0.000 0.204 589 K C 1.939 178.512 176.600 -0.046 0.000 1.050 589 K CA 1.244 57.508 56.287 -0.039 0.000 0.942 589 K CB 0.060 32.541 32.500 -0.033 0.000 0.724 589 K HN 0.073 nan 8.250 nan 0.000 0.446 590 V N 1.359 121.239 119.914 -0.057 0.000 2.379 590 V HA -0.180 3.940 4.120 0.001 0.000 0.245 590 V C 2.043 178.062 176.094 -0.125 0.000 1.044 590 V CA 1.385 63.631 62.300 -0.090 0.000 1.036 590 V CB -0.352 31.415 31.823 -0.095 0.000 0.664 590 V HN 0.226 nan 8.190 nan 0.000 0.453 591 L N 0.451 121.616 121.223 -0.096 0.000 2.265 591 L HA -0.128 4.212 4.340 0.001 0.000 0.215 591 L C 2.338 179.175 176.870 -0.054 0.000 1.117 591 L CA 1.145 55.931 54.840 -0.090 0.000 0.782 591 L CB -0.665 41.356 42.059 -0.062 0.000 0.914 591 L HN 0.354 nan 8.230 nan 0.000 0.441 592 N N -0.010 118.665 118.700 -0.041 0.000 2.216 592 N HA -0.138 4.602 4.740 0.001 0.000 0.183 592 N C 1.714 177.242 175.510 0.029 0.000 1.017 592 N CA 1.002 54.046 53.050 -0.011 0.000 0.861 592 N CB 0.078 38.541 38.487 -0.039 0.000 0.986 592 N HN 0.463 nan 8.380 nan 0.000 0.428 593 E N 0.213 120.414 120.200 0.002 0.000 2.106 593 E HA -0.079 4.271 4.350 0.001 0.000 0.192 593 E C 1.958 178.626 176.600 0.112 0.000 0.984 593 E CA 0.728 57.165 56.400 0.061 0.000 0.806 593 E CB 0.134 29.853 29.700 0.031 0.000 0.750 593 E HN 0.064 nan 8.360 nan 0.000 0.458 594 V N 1.100 120.967 119.914 -0.078 0.000 2.307 594 V HA -0.244 3.876 4.120 0.001 0.000 0.245 594 V C 2.290 178.514 176.094 0.216 0.000 1.045 594 V CA 2.100 64.329 62.300 -0.117 0.000 1.024 594 V CB -0.727 30.890 31.823 -0.342 0.000 0.651 594 V HN 0.320 nan 8.190 nan 0.000 0.449 595 T N -0.983 113.682 114.554 0.185 0.000 2.622 595 T HA -0.224 4.126 4.350 0.001 0.000 0.266 595 T C 1.355 176.195 174.700 0.234 0.000 1.047 595 T CA 1.762 63.995 62.100 0.222 0.000 1.159 595 T CB -0.394 68.565 68.868 0.152 0.000 0.863 595 T HN 0.503 nan 8.240 nan 0.000 0.422 596 H N 0.025 119.163 119.070 0.114 0.000 3.109 596 H HA 0.250 4.806 4.556 0.000 0.000 0.298 596 H C 0.468 175.896 175.328 0.166 0.000 1.248 596 H CA -0.160 55.948 56.048 0.101 0.000 1.204 596 H CB -0.388 29.408 29.762 0.057 0.000 1.367 596 H HN 0.539 nan 8.280 nan 0.000 0.592 597 Y N -2.041 118.318 120.300 0.099 0.000 2.820 597 Y HA 0.000 4.551 4.550 0.001 0.000 0.261 597 Y C 0.916 176.814 175.900 -0.004 0.000 1.123 597 Y CA -0.058 58.062 58.100 0.033 0.000 1.217 597 Y CB -0.149 38.360 38.460 0.081 0.000 1.432 597 Y HN 0.047 nan 8.280 nan 0.000 0.461 598 Y N 1.283 121.667 120.300 0.140 0.000 2.274 598 Y HA -0.148 4.402 4.550 0.000 0.000 0.290 598 Y C 2.101 177.935 175.900 -0.109 0.000 1.145 598 Y CA 1.900 59.998 58.100 -0.005 0.000 1.203 598 Y CB -0.403 38.146 38.460 0.148 0.000 0.984 598 Y HN 0.209 nan 8.280 nan 0.000 0.533 599 L N -1.627 119.613 121.223 0.027 0.000 2.240 599 L HA -0.110 4.231 4.340 0.001 0.000 0.211 599 L C 2.013 178.808 176.870 -0.125 0.000 1.106 599 L CA 1.208 55.990 54.840 -0.096 0.000 0.793 599 L CB -0.438 41.483 42.059 -0.229 0.000 0.927 599 L HN 0.159 nan 8.230 nan 0.000 0.446 600 T N -1.137 113.337 114.554 -0.134 0.000 2.914 600 T HA -0.047 4.304 4.350 0.001 0.000 0.240 600 T C 1.776 176.379 174.700 -0.162 0.000 1.025 600 T CA 0.514 62.542 62.100 -0.120 0.000 1.198 600 T CB 0.028 68.856 68.868 -0.067 0.000 0.892 600 T HN 0.100 nan 8.240 nan 0.000 0.417 601 K N 0.796 121.018 120.400 -0.297 0.000 2.365 601 K HA 0.052 4.372 4.320 0.001 0.000 0.199 601 K C 0.814 177.254 176.600 -0.266 0.000 1.045 601 K CA 0.816 56.897 56.287 -0.343 0.000 0.962 601 K CB 0.128 32.270 32.500 -0.597 0.000 0.759 601 K HN 0.181 nan 8.250 nan 0.000 0.469 602 E N 0.229 120.301 120.200 -0.212 0.000 3.646 602 E HA 0.097 4.447 4.350 0.001 0.000 0.211 602 E C 0.014 176.597 176.600 -0.029 0.000 1.034 602 E CA -0.071 56.287 56.400 -0.069 0.000 1.341 602 E CB 0.411 30.139 29.700 0.047 0.000 1.202 602 E HN 0.011 nan 8.360 nan 0.000 0.447 603 K N -0.107 120.261 120.400 -0.053 0.000 2.000 603 K HA -0.213 4.108 4.320 0.001 0.000 0.218 603 K C 1.406 177.992 176.600 -0.024 0.000 1.053 603 K CA 1.829 58.091 56.287 -0.042 0.000 0.946 603 K CB -0.116 32.358 32.500 -0.043 0.000 0.723 603 K HN 0.118 nan 8.250 nan 0.000 0.446 604 N N 0.441 119.131 118.700 -0.017 0.000 2.192 604 N HA -0.157 4.584 4.740 0.001 0.000 0.188 604 N C 1.091 176.599 175.510 -0.003 0.000 1.013 604 N CA 1.663 54.708 53.050 -0.008 0.000 0.863 604 N CB -0.142 38.344 38.487 -0.001 0.000 0.990 604 N HN 0.318 nan 8.380 nan 0.000 0.430 605 N N -1.421 117.284 118.700 0.009 0.000 2.508 605 N HA 0.108 4.849 4.740 0.001 0.000 0.186 605 N C -0.395 175.121 175.510 0.010 0.000 1.034 605 N CA -0.062 53.002 53.050 0.022 0.000 0.885 605 N CB 0.588 39.114 38.487 0.064 0.000 1.135 605 N HN -0.142 nan 8.380 nan 0.000 0.435 606 V N 1.679 121.606 119.914 0.021 0.000 2.614 606 V HA 0.028 4.148 4.120 0.001 0.000 0.291 606 V C 1.014 177.080 176.094 -0.047 0.000 1.049 606 V CA 0.502 62.793 62.300 -0.015 0.000 1.038 606 V CB 1.486 33.324 31.823 0.025 0.000 0.980 606 V HN 0.291 nan 8.190 nan 0.000 0.481 607 E N 3.331 123.489 120.200 -0.070 0.000 2.290 607 E HA 0.129 4.479 4.350 0.001 0.000 0.199 607 E C 0.386 176.940 176.600 -0.077 0.000 0.912 607 E CA 0.709 57.075 56.400 -0.057 0.000 0.924 607 E CB 0.656 30.330 29.700 -0.043 0.000 0.901 607 E HN 0.787 nan 8.360 nan 0.000 0.487 608 S N -0.969 114.673 115.700 -0.098 0.000 2.537 608 S HA 0.648 5.118 4.470 0.001 0.000 0.271 608 S C -1.204 173.310 174.600 -0.144 0.000 1.148 608 S CA -0.925 57.172 58.200 -0.172 0.000 0.868 608 S CB 1.951 65.150 63.200 -0.001 0.000 1.115 608 S HN -0.002 nan 8.310 nan 0.000 0.461 609 V N 2.516 122.311 119.914 -0.198 0.000 2.447 609 V HA 0.484 4.604 4.120 0.001 0.000 0.292 609 V C -1.413 174.699 176.094 0.029 0.000 1.021 609 V CA -0.451 61.804 62.300 -0.074 0.000 0.850 609 V CB 1.081 32.879 31.823 -0.042 0.000 1.005 609 V HN 0.906 nan 8.190 nan 0.000 0.426 610 F N 4.839 124.814 119.950 0.041 0.000 2.335 610 F HA 0.725 5.252 4.527 0.000 0.000 0.365 610 F C 0.612 176.460 175.800 0.080 0.000 1.122 610 F CA -0.459 57.606 58.000 0.108 0.000 1.151 610 F CB 0.704 39.777 39.000 0.123 0.000 1.282 610 F HN 0.554 nan 8.300 nan 0.000 0.513 611 A N 5.840 128.527 122.820 -0.222 0.000 2.260 611 A HA 0.660 4.981 4.320 0.001 0.000 0.308 611 A C -1.142 176.303 177.584 -0.231 0.000 1.254 611 A CA -0.560 51.389 52.037 -0.147 0.000 0.874 611 A CB 0.611 19.548 19.000 -0.105 0.000 1.153 611 A HN 0.486 nan 8.150 nan 0.000 0.527 612 V N 4.068 123.929 119.914 -0.089 0.000 2.357 612 V HA 0.228 4.348 4.120 0.001 0.000 0.284 612 V C 0.315 176.438 176.094 0.047 0.000 1.018 612 V CA -0.635 61.646 62.300 -0.031 0.000 0.841 612 V CB 1.091 32.944 31.823 0.050 0.000 0.991 612 V HN 0.970 nan 8.190 nan 0.000 0.437 613 N N 3.471 122.193 118.700 0.036 0.000 2.419 613 N HA 0.495 5.235 4.740 0.001 0.000 0.264 613 N C 1.036 176.612 175.510 0.110 0.000 1.031 613 N CA 0.710 53.791 53.050 0.052 0.000 0.951 613 N CB 0.981 39.479 38.487 0.020 0.000 1.101 613 N HN 0.967 nan 8.380 nan 0.000 0.488 614 G N 3.006 111.875 108.800 0.115 0.000 2.232 614 G HA2 -0.251 3.709 3.960 0.001 0.000 0.226 614 G HA3 -0.251 3.709 3.960 0.001 0.000 0.226 614 G C -0.287 174.734 174.900 0.200 0.000 0.996 614 G CA -0.074 45.108 45.100 0.138 0.000 0.626 614 G HN 0.585 nan 8.290 nan 0.000 0.509 615 F N 2.000 121.989 119.950 0.065 0.000 2.467 615 F HA 0.724 5.251 4.527 0.001 0.000 0.336 615 F C 0.468 176.268 175.800 -0.001 0.000 1.123 615 F CA 0.235 58.280 58.000 0.073 0.000 0.964 615 F CB 1.550 40.658 39.000 0.180 0.000 1.136 615 F HN 0.342 nan 8.300 nan 0.000 0.447 616 G N 3.763 112.152 108.800 -0.685 0.000 3.211 616 G HA2 0.363 4.323 3.960 0.001 0.000 0.262 616 G HA3 0.363 4.323 3.960 0.001 0.000 0.262 616 G C -1.028 173.363 174.900 -0.848 0.000 1.352 616 G CA -0.570 44.170 45.100 -0.601 0.000 1.004 616 G HN 0.524 nan 8.290 nan 0.000 0.559 617 F N -0.209 119.603 119.950 -0.229 0.000 2.724 617 F HA 0.363 4.891 4.527 0.000 0.000 0.306 617 F C 2.243 177.987 175.800 -0.093 0.000 1.100 617 F CA 0.211 58.120 58.000 -0.151 0.000 1.255 617 F CB 0.813 39.780 39.000 -0.054 0.000 1.072 617 F HN 0.416 nan 8.300 nan 0.000 0.589 618 A N -0.164 122.702 122.820 0.077 0.000 2.307 618 A HA 0.611 4.931 4.320 0.001 0.000 0.218 618 A C 1.149 178.749 177.584 0.027 0.000 1.228 618 A CA 0.736 52.802 52.037 0.049 0.000 0.857 618 A CB -0.772 18.253 19.000 0.041 0.000 0.897 618 A HN 0.424 nan 8.150 nan 0.000 0.495 619 G N -1.035 107.760 108.800 -0.008 0.000 2.347 619 G HA2 0.151 4.112 3.960 0.001 0.000 0.341 619 G HA3 0.151 4.112 3.960 0.001 0.000 0.341 619 G C -0.793 174.081 174.900 -0.042 0.000 1.287 619 G CA -0.991 44.105 45.100 -0.006 0.000 0.984 619 G HN 0.369 nan 8.290 nan 0.000 0.526 620 R N -0.611 119.894 120.500 0.008 0.000 2.607 620 R HA 0.767 5.107 4.340 0.001 0.000 0.261 620 R C 0.404 176.734 176.300 0.050 0.000 1.051 620 R CA 0.303 56.423 56.100 0.034 0.000 1.110 620 R CB 1.498 31.847 30.300 0.081 0.000 1.158 620 R HN 2.163 nan 8.270 nan 0.000 0.543 621 G N -0.017 108.823 108.800 0.068 0.000 2.317 621 G HA2 -0.113 3.848 3.960 0.001 0.000 0.445 621 G HA3 -0.113 3.848 3.960 0.001 0.000 0.445 621 G C -0.215 174.726 174.900 0.068 0.000 1.486 621 G CA -0.802 44.339 45.100 0.069 0.000 0.991 621 G HN 0.567 nan 8.290 nan 0.000 0.660 622 Q N -0.191 119.650 119.800 0.068 0.000 2.443 622 Q HA -0.129 4.211 4.340 0.001 0.000 0.213 622 Q C 1.992 178.020 176.000 0.046 0.000 0.982 622 Q CA 1.545 57.385 55.803 0.061 0.000 0.894 622 Q CB 0.014 28.787 28.738 0.058 0.000 0.947 622 Q HN 0.600 nan 8.270 nan 0.000 0.480 623 N N -0.549 118.177 118.700 0.043 0.000 2.230 623 N HA -0.037 4.703 4.740 0.001 0.000 0.202 623 N C -0.258 175.268 175.510 0.027 0.000 1.119 623 N CA 0.211 53.279 53.050 0.031 0.000 0.851 623 N CB 0.339 38.846 38.487 0.034 0.000 0.990 623 N HN -0.021 nan 8.380 nan 0.000 0.497 624 T N -3.070 111.500 114.554 0.028 0.000 2.918 624 T HA 0.824 5.174 4.350 0.001 0.000 0.286 624 T C 0.072 174.782 174.700 0.016 0.000 1.026 624 T CA -0.763 61.347 62.100 0.016 0.000 1.031 624 T CB 2.080 70.946 68.868 -0.003 0.000 1.046 624 T HN 0.185 nan 8.240 nan 0.000 0.479 625 G N 0.816 109.619 108.800 0.004 0.000 2.753 625 G HA2 0.579 4.539 3.960 0.001 0.000 0.297 625 G HA3 0.579 4.539 3.960 0.001 0.000 0.297 625 G C -1.862 173.029 174.900 -0.016 0.000 1.430 625 G CA -0.681 44.424 45.100 0.007 0.000 1.040 625 G HN 0.842 nan 8.290 nan 0.000 0.530 626 I N 1.492 122.050 120.570 -0.021 0.000 2.441 626 I HA 0.777 4.947 4.170 0.001 0.000 0.295 626 I C 0.150 176.162 176.117 -0.174 0.000 0.994 626 I CA -0.698 60.531 61.300 -0.118 0.000 1.144 626 I CB 1.909 39.781 38.000 -0.213 0.000 1.314 626 I HN 0.707 nan 8.210 nan 0.000 0.445 627 A N 7.112 129.796 122.820 -0.227 0.000 2.319 627 A HA 0.681 5.001 4.320 0.001 0.000 0.310 627 A C -1.256 176.156 177.584 -0.287 0.000 1.152 627 A CA -0.387 51.552 52.037 -0.164 0.000 0.783 627 A CB 0.178 19.153 19.000 -0.042 0.000 1.184 627 A HN 0.506 nan 8.150 nan 0.000 0.474 628 F N 1.885 121.810 119.950 -0.041 0.000 2.410 628 F HA 0.475 5.002 4.527 0.001 0.000 0.348 628 F C 0.326 176.049 175.800 -0.128 0.000 1.106 628 F CA -0.254 57.696 58.000 -0.084 0.000 1.163 628 F CB 1.686 40.615 39.000 -0.118 0.000 1.129 628 F HN 0.239 nan 8.300 nan 0.000 0.516 629 V N 2.642 122.448 119.914 -0.180 0.000 2.409 629 V HA 0.365 4.485 4.120 0.001 0.000 0.291 629 V C -0.349 175.531 176.094 -0.356 0.000 1.020 629 V CA -0.703 61.282 62.300 -0.525 0.000 0.848 629 V CB 1.648 32.621 31.823 -1.417 0.000 0.990 629 V HN 0.777 nan 8.190 nan 0.000 0.430 630 S N 6.258 121.856 115.700 -0.170 0.000 2.437 630 S HA 0.752 5.222 4.470 0.001 0.000 0.305 630 S C -0.616 173.898 174.600 -0.143 0.000 1.109 630 S CA -0.519 57.612 58.200 -0.114 0.000 1.099 630 S CB 0.603 63.803 63.200 0.001 0.000 1.004 630 S HN 0.535 nan 8.310 nan 0.000 0.475 631 L N 3.787 124.920 121.223 -0.150 0.000 2.400 631 L HA 0.540 4.881 4.340 0.001 0.000 0.264 631 L C 0.681 177.454 176.870 -0.162 0.000 1.061 631 L CA -1.219 53.546 54.840 -0.126 0.000 0.799 631 L CB 0.634 42.645 42.059 -0.081 0.000 1.240 631 L HN 0.533 nan 8.230 nan 0.000 0.461 632 K N 1.331 121.653 120.400 -0.130 0.000 2.336 632 K HA 0.044 4.364 4.320 0.001 0.000 0.262 632 K C -0.435 175.998 176.600 -0.278 0.000 0.992 632 K CA -0.247 55.952 56.287 -0.147 0.000 0.927 632 K CB 0.372 32.822 32.500 -0.084 0.000 0.956 632 K HN 0.643 nan 8.250 nan 0.000 0.495 633 D N 0.314 120.523 120.400 -0.319 0.000 2.380 633 D HA -0.060 4.580 4.640 0.001 0.000 0.254 633 D C 0.827 176.875 176.300 -0.420 0.000 1.288 633 D CA -0.120 53.504 54.000 -0.626 0.000 1.008 633 D CB 0.227 40.766 40.800 -0.434 0.000 1.099 633 D HN 0.514 nan 8.370 nan 0.000 0.537 634 W N -0.464 120.878 121.300 0.071 0.000 2.418 634 W HA 0.202 4.863 4.660 0.000 0.000 0.292 634 W C 2.544 179.100 176.519 0.062 0.000 1.213 634 W CA 0.699 58.091 57.345 0.077 0.000 1.283 634 W CB -1.048 28.469 29.460 0.095 0.000 1.119 634 W HN 0.498 nan 8.180 nan 0.000 0.542 635 A N 0.946 123.931 122.820 0.276 0.000 2.015 635 A HA -0.156 4.164 4.320 0.001 0.000 0.219 635 A C 1.309 178.953 177.584 0.100 0.000 1.163 635 A CA 1.917 54.056 52.037 0.170 0.000 0.646 635 A CB -0.710 18.379 19.000 0.147 0.000 0.806 635 A HN 0.178 nan 8.150 nan 0.000 0.448 636 D N -0.787 119.651 120.400 0.063 0.000 2.355 636 D HA 0.053 4.694 4.640 0.001 0.000 0.218 636 D C 0.780 177.102 176.300 0.037 0.000 1.004 636 D CA 0.523 54.541 54.000 0.031 0.000 0.880 636 D CB 0.077 40.874 40.800 -0.004 0.000 0.911 636 D HN 0.358 nan 8.370 nan 0.000 0.528 637 R N 0.342 120.881 120.500 0.066 0.000 2.886 637 R HA 0.196 4.537 4.340 0.001 0.000 0.306 637 R C -1.940 174.426 176.300 0.110 0.000 1.300 637 R CA -0.958 55.188 56.100 0.077 0.000 1.441 637 R CB 1.031 31.374 30.300 0.071 0.000 1.328 637 R HN 0.032 nan 8.270 nan 0.000 0.629 638 P HA -0.065 nan 4.420 nan 0.000 0.230 638 P C 0.855 178.203 177.300 0.081 0.000 1.158 638 P CA 0.620 63.777 63.100 0.094 0.000 0.769 638 P CB 0.290 32.034 31.700 0.075 0.000 0.807 639 G N 0.396 109.238 108.800 0.070 0.000 2.544 639 G HA2 -0.041 3.920 3.960 0.001 0.000 0.242 639 G HA3 -0.041 3.920 3.960 0.001 0.000 0.242 639 G C 0.883 175.823 174.900 0.065 0.000 1.247 639 G CA -0.226 44.910 45.100 0.059 0.000 0.840 639 G HN -0.036 nan 8.290 nan 0.000 0.578 640 E N 0.583 120.816 120.200 0.055 0.000 2.046 640 E HA -0.149 4.201 4.350 0.001 0.000 0.190 640 E C 2.364 178.994 176.600 0.050 0.000 0.982 640 E CA 1.238 57.670 56.400 0.054 0.000 0.800 640 E CB -0.025 29.701 29.700 0.043 0.000 0.756 640 E HN 0.764 nan 8.360 nan 0.000 0.449 641 E N 0.146 120.370 120.200 0.041 0.000 2.478 641 E HA -0.129 4.222 4.350 0.001 0.000 0.198 641 E C 0.682 177.307 176.600 0.042 0.000 1.046 641 E CA 0.606 57.028 56.400 0.036 0.000 0.870 641 E CB -0.423 29.294 29.700 0.027 0.000 0.818 641 E HN 0.115 nan 8.360 nan 0.000 0.527 642 N N 0.708 119.439 118.700 0.052 0.000 2.398 642 N HA 0.038 4.778 4.740 0.001 0.000 0.188 642 N C 0.064 175.621 175.510 0.078 0.000 1.122 642 N CA 0.145 53.231 53.050 0.061 0.000 0.866 642 N CB 0.273 38.796 38.487 0.060 0.000 0.970 642 N HN 0.074 nan 8.380 nan 0.000 0.462 643 K N -0.114 120.334 120.400 0.079 0.000 2.202 643 K HA 0.177 4.498 4.320 0.001 0.000 0.264 643 K C 1.120 177.755 176.600 0.059 0.000 1.010 643 K CA -0.242 56.102 56.287 0.094 0.000 0.940 643 K CB 0.851 33.407 32.500 0.094 0.000 0.983 643 K HN -0.268 nan 8.250 nan 0.000 0.475 644 V N 2.602 122.555 119.914 0.064 0.000 2.252 644 V HA -0.278 3.842 4.120 0.001 0.000 0.249 644 V C 2.155 178.193 176.094 -0.092 0.000 1.056 644 V CA 2.004 64.285 62.300 -0.031 0.000 1.022 644 V CB -0.595 31.249 31.823 0.034 0.000 0.641 644 V HN 0.895 nan 8.190 nan 0.000 0.445 645 E N -0.111 120.082 120.200 -0.012 0.000 2.147 645 E HA -0.278 4.072 4.350 0.001 0.000 0.199 645 E C 2.187 178.781 176.600 -0.010 0.000 1.005 645 E CA 1.884 58.283 56.400 -0.001 0.000 0.810 645 E CB -0.127 29.594 29.700 0.035 0.000 0.736 645 E HN 0.605 nan 8.360 nan 0.000 0.460 646 A N 0.095 122.914 122.820 -0.002 0.000 1.984 646 A HA 0.048 4.368 4.320 0.001 0.000 0.214 646 A C 2.173 179.754 177.584 -0.004 0.000 1.173 646 A CA 0.140 52.181 52.037 0.006 0.000 0.673 646 A CB -0.207 18.806 19.000 0.021 0.000 0.830 646 A HN 0.158 nan 8.150 nan 0.000 0.453 647 I N 0.707 121.260 120.570 -0.029 0.000 2.142 647 I HA -0.253 3.917 4.170 0.001 0.000 0.240 647 I C 2.876 178.969 176.117 -0.039 0.000 1.078 647 I CA 1.967 63.258 61.300 -0.016 0.000 1.343 647 I CB -0.518 37.473 38.000 -0.015 0.000 1.046 647 I HN 0.501 nan 8.210 nan 0.000 0.405 648 T N -1.034 113.397 114.554 -0.205 0.000 2.788 648 T HA -0.235 4.115 4.350 0.001 0.000 0.268 648 T C 1.922 176.631 174.700 0.015 0.000 1.044 648 T CA 0.890 62.901 62.100 -0.150 0.000 1.139 648 T CB -0.363 68.362 68.868 -0.238 0.000 0.867 648 T HN 0.174 nan 8.240 nan 0.000 0.454 649 M N 2.181 121.786 119.600 0.008 0.000 2.202 649 M HA -0.084 4.396 4.480 0.001 0.000 0.262 649 M C 2.471 178.794 176.300 0.038 0.000 1.063 649 M CA 1.758 57.080 55.300 0.036 0.000 1.097 649 M CB -0.456 32.160 32.600 0.026 0.000 1.382 649 M HN 0.551 nan 8.290 nan 0.000 0.413 650 R N -1.156 119.366 120.500 0.038 0.000 2.206 650 R HA 0.230 4.571 4.340 0.001 0.000 0.198 650 R C 2.003 178.316 176.300 0.022 0.000 0.986 650 R CA 0.859 56.976 56.100 0.029 0.000 1.029 650 R CB -0.620 29.700 30.300 0.033 0.000 0.966 650 R HN 0.170 nan 8.270 nan 0.000 0.487 651 A N 1.556 124.428 122.820 0.088 0.000 1.858 651 A HA -0.107 4.214 4.320 0.001 0.000 0.216 651 A C 2.141 179.710 177.584 -0.025 0.000 1.190 651 A CA 2.016 54.085 52.037 0.053 0.000 0.617 651 A CB -1.140 18.064 19.000 0.338 0.000 0.827 651 A HN 0.389 nan 8.150 nan 0.000 0.443 652 T N -0.732 113.879 114.554 0.096 0.000 2.759 652 T HA -0.165 4.186 4.350 0.001 0.000 0.269 652 T C 2.039 176.730 174.700 -0.015 0.000 1.042 652 T CA 1.486 63.641 62.100 0.092 0.000 1.140 652 T CB -0.252 68.722 68.868 0.177 0.000 0.864 652 T HN 0.527 nan 8.240 nan 0.000 0.455 653 R N 0.852 121.329 120.500 -0.037 0.000 2.073 653 R HA -0.045 4.295 4.340 0.001 0.000 0.234 653 R C 2.684 178.881 176.300 -0.172 0.000 1.134 653 R CA 1.456 57.513 56.100 -0.072 0.000 0.952 653 R CB -0.514 29.759 30.300 -0.044 0.000 0.850 653 R HN 0.374 nan 8.270 nan 0.000 0.433 654 A N 0.743 123.370 122.820 -0.321 0.000 1.883 654 A HA -0.139 4.181 4.320 0.001 0.000 0.217 654 A C 0.732 177.919 177.584 -0.661 0.000 1.186 654 A CA 1.156 52.842 52.037 -0.586 0.000 0.624 654 A CB -0.412 17.987 19.000 -1.003 0.000 0.822 654 A HN 0.322 nan 8.150 nan 0.000 0.444 655 F N 0.332 120.117 119.950 -0.275 0.000 2.395 655 F HA 0.398 4.925 4.527 0.000 0.000 0.347 655 F C 1.210 176.873 175.800 -0.229 0.000 1.157 655 F CA 0.174 58.019 58.000 -0.258 0.000 1.272 655 F CB 0.346 39.168 39.000 -0.297 0.000 1.607 655 F HN 0.231 nan 8.300 nan 0.000 0.571 656 S N -1.386 114.277 115.700 -0.063 0.000 3.984 656 S HA 0.005 4.475 4.470 0.001 0.000 0.221 656 S C 1.454 176.020 174.600 -0.056 0.000 1.149 656 S CA -0.201 57.950 58.200 -0.082 0.000 0.950 656 S CB 0.100 63.253 63.200 -0.079 0.000 1.216 656 S HN 0.322 nan 8.310 nan 0.000 0.547 657 Q N 1.887 121.657 119.800 -0.050 0.000 1.742 657 Q HA 0.090 4.430 4.340 0.001 0.000 0.336 657 Q C 0.292 176.274 176.000 -0.031 0.000 0.966 657 Q CA 1.291 57.072 55.803 -0.036 0.000 0.893 657 Q CB -0.747 27.969 28.738 -0.036 0.000 0.927 657 Q HN 0.709 nan 8.270 nan 0.000 0.417 658 I N 1.041 121.592 120.570 -0.031 0.000 2.769 658 I HA 0.183 4.353 4.170 0.001 0.000 0.285 658 I C -0.102 176.006 176.117 -0.015 0.000 1.173 658 I CA 0.335 61.622 61.300 -0.022 0.000 1.389 658 I CB -0.285 37.702 38.000 -0.021 0.000 1.404 658 I HN 0.118 nan 8.210 nan 0.000 0.544 659 K N 4.234 124.626 120.400 -0.013 0.000 2.870 659 K HA 0.335 4.655 4.320 0.001 0.000 0.290 659 K C -1.429 175.160 176.600 -0.018 0.000 1.070 659 K CA -0.301 55.978 56.287 -0.013 0.000 0.843 659 K CB 0.960 33.449 32.500 -0.019 0.000 1.475 659 K HN 0.628 nan 8.250 nan 0.000 0.359 660 D N -0.345 120.042 120.400 -0.022 0.000 2.562 660 D HA 0.451 5.091 4.640 0.001 0.000 0.246 660 D C -0.136 176.149 176.300 -0.024 0.000 1.347 660 D CA -0.042 53.946 54.000 -0.020 0.000 0.800 660 D CB 0.733 41.523 40.800 -0.017 0.000 1.111 660 D HN 0.513 nan 8.370 nan 0.000 0.508 661 A N -0.073 122.725 122.820 -0.037 0.000 2.483 661 A HA 0.846 5.166 4.320 0.001 0.000 0.286 661 A C -1.294 176.250 177.584 -0.067 0.000 1.207 661 A CA -0.932 51.079 52.037 -0.043 0.000 0.764 661 A CB 1.369 20.334 19.000 -0.059 0.000 1.341 661 A HN 0.072 nan 8.150 nan 0.000 0.428 662 M N 1.303 120.865 119.600 -0.063 0.000 2.018 662 M HA 0.428 4.909 4.480 0.001 0.000 0.311 662 M C -1.281 174.909 176.300 -0.184 0.000 0.928 662 M CA -0.090 55.139 55.300 -0.119 0.000 0.911 662 M CB 1.585 34.219 32.600 0.057 0.000 1.447 662 M HN 0.338 nan 8.290 nan 0.000 0.407 663 V N 3.644 123.328 119.914 -0.383 0.000 2.483 663 V HA 0.624 4.744 4.120 0.001 0.000 0.295 663 V C -0.911 174.884 176.094 -0.498 0.000 1.035 663 V CA -0.565 61.564 62.300 -0.285 0.000 0.896 663 V CB 1.654 33.312 31.823 -0.274 0.000 0.986 663 V HN 0.561 nan 8.190 nan 0.000 0.447 664 F N 2.135 122.183 119.950 0.163 0.000 2.585 664 F HA 0.733 5.260 4.527 0.001 0.000 0.319 664 F C 0.268 176.286 175.800 0.363 0.000 1.165 664 F CA -0.504 57.641 58.000 0.242 0.000 0.949 664 F CB 1.829 40.958 39.000 0.215 0.000 1.218 664 F HN 0.575 nan 8.300 nan 0.000 0.453 665 A N 3.825 126.934 122.820 0.481 0.000 2.306 665 A HA 0.923 5.244 4.320 0.001 0.000 0.314 665 A C -1.227 176.583 177.584 0.376 0.000 1.164 665 A CA -0.392 51.867 52.037 0.370 0.000 0.822 665 A CB 0.449 19.667 19.000 0.363 0.000 1.130 665 A HN 0.743 nan 8.150 nan 0.000 0.496 666 F N -0.058 120.021 119.950 0.215 0.000 2.665 666 F HA 0.480 5.008 4.527 0.001 0.000 0.308 666 F C -0.727 175.168 175.800 0.158 0.000 1.112 666 F CA -1.130 56.946 58.000 0.128 0.000 0.972 666 F CB 0.986 40.050 39.000 0.107 0.000 1.295 666 F HN 0.585 nan 8.300 nan 0.000 0.440 667 N N 1.674 120.527 118.700 0.255 0.000 2.467 667 N HA 0.497 5.238 4.740 0.001 0.000 0.262 667 N C -0.607 175.103 175.510 0.334 0.000 1.234 667 N CA -0.569 52.617 53.050 0.226 0.000 0.952 667 N CB 0.972 39.540 38.487 0.136 0.000 1.158 667 N HN 0.763 nan 8.380 nan 0.000 0.463 668 L N 0.339 121.726 121.223 0.275 0.000 2.456 668 L HA 0.586 4.926 4.340 0.001 0.000 0.257 668 L C -2.202 174.788 176.870 0.200 0.000 1.162 668 L CA -1.761 53.243 54.840 0.275 0.000 0.808 668 L CB 0.043 42.264 42.059 0.269 0.000 1.136 668 L HN 0.416 nan 8.230 nan 0.000 0.466 669 P HA 0.137 nan 4.420 nan 0.000 0.276 669 P C -0.028 177.383 177.300 0.185 0.000 1.244 669 P CA -0.360 62.827 63.100 0.145 0.000 0.801 669 P CB 1.337 33.095 31.700 0.098 0.000 1.006 670 A N 2.806 125.752 122.820 0.210 0.000 1.835 670 A HA -0.068 4.252 4.320 0.001 0.000 0.215 670 A C 1.395 179.146 177.584 0.278 0.000 1.199 670 A CA 1.132 53.340 52.037 0.284 0.000 0.615 670 A CB -1.367 17.805 19.000 0.286 0.000 0.838 670 A HN 0.586 nan 8.150 nan 0.000 0.444 671 I N 1.881 122.565 120.570 0.190 0.000 2.349 671 I HA 0.027 4.197 4.170 0.001 0.000 0.302 671 I C 1.057 177.263 176.117 0.148 0.000 1.180 671 I CA -0.492 60.898 61.300 0.149 0.000 1.405 671 I CB 0.429 38.494 38.000 0.109 0.000 1.474 671 I HN 0.099 nan 8.210 nan 0.000 0.632 672 V N 4.295 124.321 119.914 0.187 0.000 2.380 672 V HA -0.252 3.868 4.120 0.001 0.000 0.251 672 V C 2.251 178.413 176.094 0.114 0.000 1.063 672 V CA 1.897 64.296 62.300 0.166 0.000 1.055 672 V CB -0.821 31.125 31.823 0.205 0.000 0.657 672 V HN 0.873 nan 8.190 nan 0.000 0.455 673 E N -0.248 120.018 120.200 0.110 0.000 2.476 673 E HA 0.069 4.420 4.350 0.001 0.000 0.191 673 E C 1.613 178.250 176.600 0.061 0.000 1.064 673 E CA 0.286 56.734 56.400 0.080 0.000 0.866 673 E CB 0.151 29.906 29.700 0.091 0.000 0.952 673 E HN 0.561 nan 8.360 nan 0.000 0.492 674 L N 0.284 121.544 121.223 0.062 0.000 2.471 674 L HA 0.254 4.594 4.340 0.001 0.000 0.186 674 L C 1.594 178.484 176.870 0.033 0.000 1.191 674 L CA 0.723 55.597 54.840 0.057 0.000 0.835 674 L CB -0.522 41.574 42.059 0.061 0.000 1.092 674 L HN 0.163 nan 8.230 nan 0.000 0.495 675 G N -1.840 106.971 108.800 0.018 0.000 2.508 675 G HA2 0.238 4.199 3.960 0.001 0.000 0.278 675 G HA3 0.238 4.199 3.960 0.001 0.000 0.278 675 G C 0.375 175.236 174.900 -0.064 0.000 1.389 675 G CA 0.492 45.580 45.100 -0.020 0.000 1.050 675 G HN 0.141 nan 8.290 nan 0.000 0.522 676 T N -2.022 112.465 114.554 -0.112 0.000 3.186 676 T HA 0.576 4.926 4.350 0.001 0.000 0.292 676 T C 0.045 174.705 174.700 -0.066 0.000 0.915 676 T CA 0.983 62.971 62.100 -0.186 0.000 0.902 676 T CB -0.162 68.449 68.868 -0.427 0.000 1.192 676 T HN 1.238 nan 8.240 nan 0.000 0.563 677 A N 0.233 123.006 122.820 -0.077 0.000 2.612 677 A HA 0.658 4.979 4.320 0.001 0.000 0.293 677 A C -0.282 177.295 177.584 -0.012 0.000 1.075 677 A CA -0.591 51.418 52.037 -0.046 0.000 0.680 677 A CB 0.847 19.516 19.000 -0.552 0.000 1.279 677 A HN 0.120 nan 8.150 nan 0.000 0.411 678 T N 1.202 115.803 114.554 0.079 0.000 2.946 678 T HA 0.496 4.846 4.350 0.001 0.000 0.311 678 T C 0.900 175.564 174.700 -0.060 0.000 1.063 678 T CA 1.720 63.848 62.100 0.047 0.000 1.139 678 T CB 0.364 69.290 68.868 0.095 0.000 0.994 678 T HN 2.361 nan 8.240 nan 0.000 0.547 679 G N 2.129 110.901 108.800 -0.048 0.000 2.337 679 G HA2 0.089 4.049 3.960 0.001 0.000 0.197 679 G HA3 0.089 4.049 3.960 0.001 0.000 0.197 679 G C -0.789 174.075 174.900 -0.060 0.000 1.238 679 G CA -0.505 44.529 45.100 -0.108 0.000 1.119 679 G HN 0.891 nan 8.290 nan 0.000 0.514 680 F N 0.020 119.964 119.950 -0.010 0.000 2.379 680 F HA 0.772 5.300 4.527 0.001 0.000 0.332 680 F C -0.074 175.810 175.800 0.139 0.000 1.096 680 F CA -0.876 57.152 58.000 0.047 0.000 1.105 680 F CB 1.746 40.799 39.000 0.089 0.000 1.189 680 F HN 0.338 nan 8.300 nan 0.000 0.515 681 D N 3.394 124.069 120.400 0.459 0.000 2.460 681 D HA 0.183 4.823 4.640 0.001 0.000 0.268 681 D C -1.374 175.201 176.300 0.458 0.000 1.153 681 D CA -0.404 53.778 54.000 0.303 0.000 0.929 681 D CB -0.025 40.846 40.800 0.118 0.000 1.015 681 D HN 0.467 nan 8.370 nan 0.000 0.502 682 F N 1.807 121.966 119.950 0.348 0.000 2.399 682 F HA 0.433 4.960 4.527 0.000 0.000 0.342 682 F C 0.109 175.766 175.800 -0.239 0.000 1.106 682 F CA -0.402 57.544 58.000 -0.090 0.000 1.196 682 F CB 1.108 40.041 39.000 -0.112 0.000 1.163 682 F HN 0.049 nan 8.300 nan 0.000 0.547 683 E N 4.927 124.456 120.200 -1.119 0.000 2.191 683 E HA 0.397 4.747 4.350 0.001 0.000 0.263 683 E C -1.978 174.046 176.600 -0.960 0.000 0.881 683 E CA -0.715 55.160 56.400 -0.875 0.000 0.757 683 E CB 1.439 30.511 29.700 -1.045 0.000 1.147 683 E HN 0.617 nan 8.360 nan 0.000 0.414 684 L N 6.057 127.010 121.223 -0.449 0.000 2.277 684 L HA 0.541 4.881 4.340 0.001 0.000 0.284 684 L C -1.498 175.299 176.870 -0.122 0.000 1.028 684 L CA -0.246 54.471 54.840 -0.204 0.000 0.835 684 L CB 0.541 42.640 42.059 0.066 0.000 1.215 684 L HN 0.563 nan 8.230 nan 0.000 0.425 685 I N 3.906 124.409 120.570 -0.112 0.000 2.377 685 I HA 0.285 4.455 4.170 0.001 0.000 0.293 685 I C -0.207 175.898 176.117 -0.021 0.000 0.987 685 I CA -0.426 60.846 61.300 -0.047 0.000 1.185 685 I CB 1.490 39.471 38.000 -0.032 0.000 1.341 685 I HN 0.491 nan 8.210 nan 0.000 0.455 686 D N 4.781 125.179 120.400 -0.004 0.000 2.374 686 D HA 0.071 4.712 4.640 0.001 0.000 0.240 686 D C 0.605 176.905 176.300 0.000 0.000 1.229 686 D CA -0.082 53.918 54.000 0.001 0.000 0.895 686 D CB 0.880 41.685 40.800 0.010 0.000 1.046 686 D HN 0.507 nan 8.370 nan 0.000 0.498 687 Q N 4.348 124.144 119.800 -0.006 0.000 1.822 687 Q HA 0.126 4.467 4.340 0.001 0.000 0.251 687 Q C 0.137 176.136 176.000 -0.002 0.000 0.969 687 Q CA 0.897 56.694 55.803 -0.009 0.000 0.875 687 Q CB -0.679 28.049 28.738 -0.016 0.000 0.917 687 Q HN 0.471 nan 8.270 nan 0.000 0.428 688 A N 0.456 123.275 122.820 -0.001 0.000 2.540 688 A HA 0.409 4.729 4.320 0.001 0.000 0.239 688 A C 0.620 178.207 177.584 0.006 0.000 1.061 688 A CA 0.279 52.317 52.037 0.002 0.000 0.758 688 A CB -0.593 18.408 19.000 0.002 0.000 0.991 688 A HN 0.609 nan 8.150 nan 0.000 0.502 689 G N 1.311 110.115 108.800 0.008 0.000 2.369 689 G HA2 0.332 4.292 3.960 0.001 0.000 0.287 689 G HA3 0.332 4.292 3.960 0.001 0.000 0.287 689 G C 0.412 175.321 174.900 0.014 0.000 1.009 689 G CA -0.121 44.987 45.100 0.013 0.000 1.393 689 G HN 0.716 nan 8.290 nan 0.000 0.432 690 L N 2.087 123.320 121.223 0.016 0.000 2.749 690 L HA 0.372 4.712 4.340 0.001 0.000 0.242 690 L C 1.538 178.421 176.870 0.022 0.000 1.103 690 L CA 0.430 55.278 54.840 0.014 0.000 0.906 690 L CB -0.213 41.849 42.059 0.006 0.000 1.228 690 L HN 0.829 nan 8.230 nan 0.000 0.517 691 G N -0.071 108.750 108.800 0.035 0.000 2.698 691 G HA2 -0.351 3.609 3.960 0.001 0.000 0.225 691 G HA3 -0.351 3.609 3.960 0.001 0.000 0.225 691 G C 0.027 174.975 174.900 0.080 0.000 1.345 691 G CA 0.403 45.541 45.100 0.062 0.000 0.871 691 G HN 0.275 nan 8.290 nan 0.000 0.540 692 H N -0.183 118.897 119.070 0.017 0.000 2.372 692 H HA 0.114 4.671 4.556 0.001 0.000 0.301 692 H C 2.375 177.710 175.328 0.012 0.000 1.065 692 H CA 2.078 58.136 56.048 0.017 0.000 1.364 692 H CB 0.075 29.851 29.762 0.023 0.000 1.406 692 H HN 0.575 nan 8.280 nan 0.000 0.521 693 E N 0.771 120.988 120.200 0.029 0.000 2.058 693 E HA -0.218 4.133 4.350 0.001 0.000 0.194 693 E C 1.766 178.319 176.600 -0.078 0.000 0.997 693 E CA 1.424 57.805 56.400 -0.031 0.000 0.801 693 E CB 0.062 29.772 29.700 0.017 0.000 0.746 693 E HN 0.465 nan 8.360 nan 0.000 0.450 694 K N 0.327 120.699 120.400 -0.046 0.000 2.217 694 K HA -0.023 4.297 4.320 0.001 0.000 0.202 694 K C 2.157 178.720 176.600 -0.062 0.000 1.051 694 K CA 0.401 56.663 56.287 -0.042 0.000 0.952 694 K CB 0.017 32.507 32.500 -0.017 0.000 0.736 694 K HN 0.180 nan 8.250 nan 0.000 0.453 695 L N 0.921 122.089 121.223 -0.092 0.000 2.131 695 L HA -0.120 4.220 4.340 0.001 0.000 0.206 695 L C 1.703 178.484 176.870 -0.148 0.000 1.087 695 L CA 1.577 56.356 54.840 -0.101 0.000 0.767 695 L CB -0.557 41.448 42.059 -0.090 0.000 0.917 695 L HN 0.231 nan 8.230 nan 0.000 0.441 696 T N -0.150 114.252 114.554 -0.253 0.000 2.652 696 T HA -0.253 4.097 4.350 0.001 0.000 0.267 696 T C 1.787 176.420 174.700 -0.112 0.000 1.039 696 T CA 1.576 63.544 62.100 -0.221 0.000 1.153 696 T CB -0.115 68.591 68.868 -0.271 0.000 0.863 696 T HN 0.410 nan 8.240 nan 0.000 0.428 697 Q N 0.568 120.312 119.800 -0.092 0.000 2.045 697 Q HA -0.132 4.208 4.340 0.001 0.000 0.206 697 Q C 2.736 178.708 176.000 -0.045 0.000 0.991 697 Q CA 1.646 57.414 55.803 -0.057 0.000 0.851 697 Q CB -0.392 28.319 28.738 -0.046 0.000 0.911 697 Q HN 0.564 nan 8.270 nan 0.000 0.418 698 A N 1.221 124.015 122.820 -0.043 0.000 1.908 698 A HA -0.245 4.075 4.320 0.001 0.000 0.218 698 A C 2.048 179.616 177.584 -0.027 0.000 1.181 698 A CA 1.617 53.637 52.037 -0.028 0.000 0.627 698 A CB -0.616 18.373 19.000 -0.018 0.000 0.818 698 A HN 0.271 nan 8.150 nan 0.000 0.445 699 R N -0.184 120.298 120.500 -0.031 0.000 2.080 699 R HA -0.210 4.131 4.340 0.001 0.000 0.236 699 R C 1.842 178.124 176.300 -0.030 0.000 1.137 699 R CA 2.038 58.125 56.100 -0.023 0.000 0.943 699 R CB -0.400 29.885 30.300 -0.025 0.000 0.846 699 R HN 0.561 nan 8.270 nan 0.000 0.431 700 N N 0.720 119.400 118.700 -0.032 0.000 2.104 700 N HA -0.234 4.507 4.740 0.001 0.000 0.190 700 N C 1.669 177.163 175.510 -0.027 0.000 1.024 700 N CA 1.356 54.390 53.050 -0.026 0.000 0.853 700 N CB -0.443 38.027 38.487 -0.028 0.000 1.008 700 N HN 0.412 nan 8.380 nan 0.000 0.424 701 Q N 0.304 120.086 119.800 -0.030 0.000 2.084 701 Q HA -0.066 4.274 4.340 0.001 0.000 0.202 701 Q C 2.053 178.029 176.000 -0.039 0.000 0.978 701 Q CA 0.847 56.633 55.803 -0.029 0.000 0.844 701 Q CB -0.070 28.651 28.738 -0.027 0.000 0.898 701 Q HN 0.379 nan 8.270 nan 0.000 0.426 702 L N 0.229 121.419 121.223 -0.055 0.000 1.973 702 L HA -0.190 4.150 4.340 0.001 0.000 0.208 702 L C 2.465 179.283 176.870 -0.087 0.000 1.073 702 L CA 1.025 55.808 54.840 -0.094 0.000 0.746 702 L CB -0.353 41.626 42.059 -0.134 0.000 0.891 702 L HN 0.350 nan 8.230 nan 0.000 0.433 703 L N -0.359 120.823 121.223 -0.069 0.000 2.137 703 L HA -0.278 4.062 4.340 0.001 0.000 0.213 703 L C 2.518 179.377 176.870 -0.017 0.000 1.085 703 L CA 1.506 56.319 54.840 -0.044 0.000 0.760 703 L CB -0.287 41.757 42.059 -0.025 0.000 0.893 703 L HN 0.383 nan 8.230 nan 0.000 0.434 704 A N -0.948 121.863 122.820 -0.015 0.000 1.898 704 A HA -0.182 4.138 4.320 0.001 0.000 0.214 704 A C 2.081 179.669 177.584 0.007 0.000 1.183 704 A CA 1.420 53.456 52.037 -0.002 0.000 0.622 704 A CB -0.359 18.637 19.000 -0.006 0.000 0.824 704 A HN 0.492 nan 8.150 nan 0.000 0.444 705 E N -0.159 120.042 120.200 0.000 0.000 2.274 705 E HA 0.050 4.400 4.350 0.001 0.000 0.194 705 E C 2.112 178.756 176.600 0.074 0.000 0.996 705 E CA 0.618 57.035 56.400 0.030 0.000 0.840 705 E CB -0.179 29.525 29.700 0.006 0.000 0.772 705 E HN 0.615 nan 8.360 nan 0.000 0.491 706 A N 1.322 124.150 122.820 0.013 0.000 1.902 706 A HA -0.091 4.229 4.320 0.001 0.000 0.217 706 A C 2.345 179.982 177.584 0.088 0.000 1.181 706 A CA 1.514 53.562 52.037 0.018 0.000 0.623 706 A CB -0.565 18.414 19.000 -0.035 0.000 0.818 706 A HN 0.290 nan 8.150 nan 0.000 0.443 707 A N -0.688 122.169 122.820 0.061 0.000 2.172 707 A HA -0.050 4.271 4.320 0.001 0.000 0.216 707 A C 1.888 179.500 177.584 0.046 0.000 1.154 707 A CA 1.344 53.415 52.037 0.056 0.000 0.701 707 A CB -0.358 18.666 19.000 0.040 0.000 0.789 707 A HN 0.520 nan 8.150 nan 0.000 0.465 708 K N -0.774 119.661 120.400 0.059 0.000 2.459 708 K HA -0.008 4.312 4.320 0.001 0.000 0.193 708 K C -0.464 176.023 176.600 -0.188 0.000 1.030 708 K CA 0.467 56.727 56.287 -0.044 0.000 1.026 708 K CB -0.004 32.459 32.500 -0.061 0.000 0.809 708 K HN 0.636 nan 8.250 nan 0.000 0.504 709 H N -0.037 119.025 119.070 -0.013 0.000 2.340 709 H HA 0.120 4.676 4.556 0.000 0.000 0.233 709 H C -1.998 173.331 175.328 0.002 0.000 1.435 709 H CA -1.857 54.185 56.048 -0.011 0.000 1.389 709 H CB 0.800 30.549 29.762 -0.022 0.000 1.491 709 H HN 0.024 nan 8.280 nan 0.000 0.518 710 P HA -0.089 nan 4.420 nan 0.000 0.237 710 P C 0.645 177.979 177.300 0.056 0.000 1.178 710 P CA 0.721 63.856 63.100 0.060 0.000 0.766 710 P CB 0.524 32.244 31.700 0.033 0.000 0.876 711 D N -1.914 118.519 120.400 0.056 0.000 2.349 711 D HA -0.011 4.629 4.640 0.001 0.000 0.224 711 D C 1.308 177.642 176.300 0.057 0.000 1.029 711 D CA 0.483 54.510 54.000 0.046 0.000 0.879 711 D CB -0.090 40.729 40.800 0.032 0.000 0.906 711 D HN 0.124 nan 8.370 nan 0.000 0.528 712 M N -0.699 118.948 119.600 0.078 0.000 2.227 712 M HA 0.166 4.646 4.480 0.001 0.000 0.226 712 M C -0.586 175.759 176.300 0.075 0.000 1.423 712 M CA 0.115 55.452 55.300 0.062 0.000 1.055 712 M CB 0.887 33.515 32.600 0.046 0.000 1.572 712 M HN -0.099 nan 8.290 nan 0.000 0.567 713 L N 1.173 122.451 121.223 0.093 0.000 2.313 713 L HA 0.487 4.827 4.340 0.001 0.000 0.283 713 L C -0.368 176.559 176.870 0.095 0.000 1.013 713 L CA 0.057 54.970 54.840 0.121 0.000 0.816 713 L CB 1.496 43.629 42.059 0.124 0.000 1.236 713 L HN 0.029 nan 8.230 nan 0.000 0.419 714 T N 0.747 115.348 114.554 0.078 0.000 2.841 714 T HA 0.465 4.815 4.350 0.001 0.000 0.283 714 T C 0.079 174.789 174.700 0.016 0.000 1.000 714 T CA -0.694 61.444 62.100 0.062 0.000 0.977 714 T CB 1.350 70.256 68.868 0.063 0.000 0.979 714 T HN 0.515 nan 8.240 nan 0.000 0.446 715 S N 0.731 116.465 115.700 0.057 0.000 3.697 715 S HA -0.116 4.354 4.470 0.001 0.000 0.388 715 S C 0.216 174.630 174.600 -0.309 0.000 0.941 715 S CA -0.170 57.992 58.200 -0.063 0.000 1.247 715 S CB -1.527 61.644 63.200 -0.048 0.000 0.904 715 S HN 0.663 nan 8.310 nan 0.000 0.518 716 V N 3.562 123.382 119.914 -0.156 0.000 2.427 716 V HA 0.453 4.573 4.120 0.001 0.000 0.268 716 V C 0.808 176.771 176.094 -0.219 0.000 1.046 716 V CA 0.065 62.274 62.300 -0.151 0.000 0.970 716 V CB 0.459 32.288 31.823 0.010 0.000 1.001 716 V HN 0.640 nan 8.190 nan 0.000 0.476 717 R N 5.584 125.904 120.500 -0.299 0.000 2.651 717 R HA 0.613 4.953 4.340 0.001 0.000 0.278 717 R C -3.309 172.900 176.300 -0.151 0.000 1.010 717 R CA -2.066 53.868 56.100 -0.275 0.000 0.896 717 R CB 2.399 32.348 30.300 -0.584 0.000 1.211 717 R HN 0.338 nan 8.270 nan 0.000 0.456 718 P HA 0.087 nan 4.420 nan 0.000 0.280 718 P C -0.905 176.374 177.300 -0.036 0.000 1.244 718 P CA -0.477 62.606 63.100 -0.029 0.000 0.784 718 P CB 0.712 32.414 31.700 0.004 0.000 0.913 719 N N 1.715 120.396 118.700 -0.031 0.000 3.298 719 N HA 0.438 5.178 4.740 0.001 0.000 0.292 719 N C -0.217 175.300 175.510 0.012 0.000 1.271 719 N CA 0.016 53.051 53.050 -0.024 0.000 1.184 719 N CB -0.454 38.007 38.487 -0.044 0.000 1.452 719 N HN 0.644 nan 8.380 nan 0.000 0.534 720 G N 0.099 108.915 108.800 0.027 0.000 2.430 720 G HA2 0.298 4.258 3.960 0.001 0.000 0.300 720 G HA3 0.298 4.258 3.960 0.001 0.000 0.300 720 G C -1.945 172.986 174.900 0.053 0.000 1.330 720 G CA -0.686 44.441 45.100 0.044 0.000 0.813 720 G HN 0.131 nan 8.290 nan 0.000 0.487 721 L N 0.202 121.463 121.223 0.063 0.000 2.375 721 L HA 0.683 5.023 4.340 0.001 0.000 0.268 721 L C 0.223 177.142 176.870 0.081 0.000 1.058 721 L CA -0.742 54.138 54.840 0.066 0.000 0.803 721 L CB 1.372 43.468 42.059 0.062 0.000 1.212 721 L HN 0.565 nan 8.230 nan 0.000 0.451 722 E N 0.413 120.658 120.200 0.075 0.000 2.283 722 E HA 0.207 4.557 4.350 0.001 0.000 0.271 722 E C -0.926 175.731 176.600 0.094 0.000 1.031 722 E CA -0.562 55.886 56.400 0.081 0.000 0.868 722 E CB 0.589 30.324 29.700 0.059 0.000 1.094 722 E HN 0.279 nan 8.360 nan 0.000 0.401 723 D N 1.504 121.972 120.400 0.112 0.000 2.520 723 D HA 0.012 4.652 4.640 0.001 0.000 0.243 723 D C -0.236 176.150 176.300 0.144 0.000 1.160 723 D CA 0.441 54.518 54.000 0.129 0.000 0.877 723 D CB 0.181 41.061 40.800 0.133 0.000 1.150 723 D HN 0.315 nan 8.370 nan 0.000 0.494 724 T N 0.494 115.139 114.554 0.152 0.000 2.922 724 T HA 0.525 4.876 4.350 0.001 0.000 0.285 724 T C -2.418 172.416 174.700 0.223 0.000 1.005 724 T CA -1.979 60.216 62.100 0.158 0.000 1.061 724 T CB 1.454 70.395 68.868 0.122 0.000 1.007 724 T HN -0.007 nan 8.240 nan 0.000 0.502 725 P HA 0.248 nan 4.420 nan 0.000 0.270 725 P C -0.734 176.700 177.300 0.223 0.000 1.223 725 P CA -0.383 62.777 63.100 0.100 0.000 0.785 725 P CB 0.344 32.001 31.700 -0.070 0.000 0.923 726 Q N 0.602 120.561 119.800 0.266 0.000 2.285 726 Q HA 0.397 4.737 4.340 0.001 0.000 0.269 726 Q C -1.448 174.678 176.000 0.209 0.000 1.030 726 Q CA -0.558 55.380 55.803 0.226 0.000 0.788 726 Q CB 1.779 30.568 28.738 0.086 0.000 1.266 726 Q HN 0.331 nan 8.270 nan 0.000 0.438 727 F N 3.234 123.100 119.950 -0.141 0.000 2.377 727 F HA 0.289 4.816 4.527 0.001 0.000 0.360 727 F C -0.112 175.475 175.800 -0.355 0.000 1.147 727 F CA -0.654 57.032 58.000 -0.523 0.000 1.170 727 F CB 0.407 38.989 39.000 -0.696 0.000 1.339 727 F HN 0.230 nan 8.300 nan 0.000 0.552 728 K N 6.570 126.592 120.400 -0.630 0.000 2.285 728 K HA 0.418 4.738 4.320 0.001 0.000 0.286 728 K C -0.944 175.264 176.600 -0.653 0.000 1.072 728 K CA -0.028 55.972 56.287 -0.477 0.000 0.913 728 K CB 0.262 32.580 32.500 -0.303 0.000 1.067 728 K HN 0.652 nan 8.250 nan 0.000 0.479 729 I N 4.461 124.757 120.570 -0.458 0.000 2.321 729 I HA 0.172 4.342 4.170 0.001 0.000 0.291 729 I C -0.458 175.545 176.117 -0.190 0.000 0.998 729 I CA -0.592 60.496 61.300 -0.352 0.000 1.227 729 I CB 1.330 39.184 38.000 -0.244 0.000 1.368 729 I HN 0.571 nan 8.210 nan 0.000 0.466 730 D N 8.709 129.014 120.400 -0.158 0.000 2.412 730 D HA 0.284 4.924 4.640 0.001 0.000 0.224 730 D C -0.031 176.258 176.300 -0.018 0.000 1.093 730 D CA -0.259 53.691 54.000 -0.083 0.000 0.850 730 D CB 1.552 42.300 40.800 -0.087 0.000 1.046 730 D HN 0.378 nan 8.370 nan 0.000 0.507 731 I N -0.753 119.829 120.570 0.019 0.000 2.322 731 I HA 0.170 4.340 4.170 0.001 0.000 0.292 731 I C 0.325 176.473 176.117 0.053 0.000 1.060 731 I CA -0.676 60.677 61.300 0.088 0.000 1.309 731 I CB 0.469 38.525 38.000 0.094 0.000 1.415 731 I HN -0.065 nan 8.210 nan 0.000 0.492 732 D N 6.452 126.903 120.400 0.084 0.000 2.342 732 D HA 0.019 4.659 4.640 0.001 0.000 0.260 732 D C 1.088 177.395 176.300 0.012 0.000 1.278 732 D CA 0.058 54.085 54.000 0.045 0.000 0.910 732 D CB 1.030 41.866 40.800 0.059 0.000 1.079 732 D HN 0.558 nan 8.370 nan 0.000 0.496 733 Q N 2.885 122.675 119.800 -0.017 0.000 2.096 733 Q HA -0.213 4.127 4.340 0.001 0.000 0.204 733 Q C 1.441 177.418 176.000 -0.038 0.000 0.982 733 Q CA 1.173 56.949 55.803 -0.044 0.000 0.850 733 Q CB -0.072 28.644 28.738 -0.036 0.000 0.901 733 Q HN 0.587 nan 8.270 nan 0.000 0.422 734 E N 1.451 121.641 120.200 -0.016 0.000 2.021 734 E HA -0.174 4.176 4.350 0.001 0.000 0.200 734 E C 1.858 178.455 176.600 -0.004 0.000 1.015 734 E CA 1.558 57.952 56.400 -0.010 0.000 0.824 734 E CB 0.071 29.770 29.700 -0.001 0.000 0.762 734 E HN 0.206 nan 8.360 nan 0.000 0.454 735 K N -0.456 119.954 120.400 0.018 0.000 2.211 735 K HA -0.062 4.258 4.320 0.001 0.000 0.203 735 K C 2.012 178.634 176.600 0.037 0.000 1.050 735 K CA 0.789 57.102 56.287 0.043 0.000 0.945 735 K CB -0.058 32.490 32.500 0.080 0.000 0.732 735 K HN 0.178 nan 8.250 nan 0.000 0.451 736 A N 1.428 124.234 122.820 -0.024 0.000 1.873 736 A HA -0.187 4.134 4.320 0.001 0.000 0.215 736 A C 1.998 179.500 177.584 -0.136 0.000 1.186 736 A CA 1.162 53.095 52.037 -0.172 0.000 0.616 736 A CB -0.350 18.437 19.000 -0.356 0.000 0.823 736 A HN 0.256 nan 8.150 nan 0.000 0.442 737 Q N -0.683 119.061 119.800 -0.095 0.000 2.224 737 Q HA -0.048 4.292 4.340 0.001 0.000 0.203 737 Q C 2.326 178.301 176.000 -0.041 0.000 0.970 737 Q CA 0.993 56.754 55.803 -0.071 0.000 0.865 737 Q CB -0.328 28.377 28.738 -0.055 0.000 0.922 737 Q HN 0.688 nan 8.270 nan 0.000 0.445 738 A N 0.872 123.678 122.820 -0.024 0.000 1.933 738 A HA -0.133 4.187 4.320 0.001 0.000 0.218 738 A C 1.943 179.527 177.584 0.000 0.000 1.175 738 A CA 1.064 53.098 52.037 -0.006 0.000 0.628 738 A CB -0.429 18.575 19.000 0.006 0.000 0.814 738 A HN 0.291 nan 8.150 nan 0.000 0.444 739 L N -1.641 119.584 121.223 0.003 0.000 2.418 739 L HA 0.203 4.543 4.340 0.001 0.000 0.218 739 L C 1.735 178.601 176.870 -0.006 0.000 1.125 739 L CA 0.587 55.436 54.840 0.016 0.000 0.835 739 L CB -0.209 41.883 42.059 0.055 0.000 0.953 739 L HN 0.566 nan 8.230 nan 0.000 0.454 740 G N 0.536 109.316 108.800 -0.034 0.000 2.141 740 G HA2 -0.250 3.711 3.960 0.001 0.000 0.242 740 G HA3 -0.250 3.711 3.960 0.001 0.000 0.242 740 G C 0.349 175.212 174.900 -0.063 0.000 0.982 740 G CA 0.092 45.167 45.100 -0.041 0.000 0.662 740 G HN 0.217 nan 8.290 nan 0.000 0.527 741 V N -0.661 119.188 119.914 -0.108 0.000 2.572 741 V HA 0.722 4.843 4.120 0.001 0.000 0.291 741 V C 1.080 177.068 176.094 -0.177 0.000 1.039 741 V CA -0.078 62.128 62.300 -0.157 0.000 1.055 741 V CB 1.361 33.014 31.823 -0.283 0.000 0.969 741 V HN 1.079 nan 8.190 nan 0.000 0.482 742 S N 3.119 118.743 115.700 -0.127 0.000 2.549 742 S HA 0.227 4.698 4.470 0.001 0.000 0.286 742 S C 0.895 175.406 174.600 -0.149 0.000 1.314 742 S CA -0.393 57.742 58.200 -0.108 0.000 1.062 742 S CB 0.070 63.232 63.200 -0.063 0.000 0.865 742 S HN 0.630 nan 8.310 nan 0.000 0.498 743 I N 4.838 125.329 120.570 -0.131 0.000 2.439 743 I HA -0.059 4.111 4.170 0.001 0.000 0.251 743 I C 2.222 178.284 176.117 -0.092 0.000 1.139 743 I CA 0.832 62.049 61.300 -0.139 0.000 1.438 743 I CB -0.462 37.475 38.000 -0.105 0.000 1.085 743 I HN 0.550 nan 8.210 nan 0.000 0.427 744 N N 0.784 119.448 118.700 -0.060 0.000 2.270 744 N HA -0.135 4.606 4.740 0.001 0.000 0.181 744 N C 1.362 176.861 175.510 -0.018 0.000 1.016 744 N CA 1.162 54.195 53.050 -0.029 0.000 0.870 744 N CB -0.226 38.249 38.487 -0.019 0.000 0.979 744 N HN 0.345 nan 8.380 nan 0.000 0.431 745 D N 0.705 121.085 120.400 -0.033 0.000 2.144 745 D HA -0.081 4.560 4.640 0.001 0.000 0.200 745 D C 2.012 178.317 176.300 0.007 0.000 0.978 745 D CA 0.504 54.499 54.000 -0.007 0.000 0.833 745 D CB -0.176 40.615 40.800 -0.015 0.000 0.961 745 D HN 0.469 nan 8.370 nan 0.000 0.470 746 I N -1.217 119.307 120.570 -0.076 0.000 2.500 746 I HA -0.060 4.110 4.170 0.001 0.000 0.252 746 I C 1.579 177.760 176.117 0.107 0.000 1.142 746 I CA 1.094 62.345 61.300 -0.081 0.000 1.451 746 I CB -0.237 37.497 38.000 -0.443 0.000 1.093 746 I HN -0.245 nan 8.210 nan 0.000 0.430 747 N N 1.466 120.196 118.700 0.049 0.000 2.051 747 N HA -0.173 4.568 4.740 0.001 0.000 0.192 747 N C 2.094 177.662 175.510 0.095 0.000 1.049 747 N CA 2.812 55.909 53.050 0.077 0.000 0.845 747 N CB -0.911 37.595 38.487 0.031 0.000 1.031 747 N HN 0.671 nan 8.380 nan 0.000 0.425 748 T N -1.750 112.847 114.554 0.071 0.000 3.035 748 T HA -0.067 4.283 4.350 0.001 0.000 0.268 748 T C 1.820 176.567 174.700 0.078 0.000 1.109 748 T CA 1.655 63.794 62.100 0.064 0.000 1.119 748 T CB -0.627 68.266 68.868 0.042 0.000 0.900 748 T HN 0.366 nan 8.240 nan 0.000 0.503 749 T N 0.735 115.366 114.554 0.129 0.000 2.770 749 T HA 0.059 4.409 4.350 0.001 0.000 0.258 749 T C 1.842 176.583 174.700 0.067 0.000 1.039 749 T CA 0.883 63.069 62.100 0.144 0.000 1.143 749 T CB -0.801 68.245 68.868 0.296 0.000 0.866 749 T HN 0.280 nan 8.240 nan 0.000 0.428 750 L N 2.334 123.680 121.223 0.205 0.000 2.012 750 L HA 0.158 4.498 4.340 0.001 0.000 0.210 750 L C 2.619 179.514 176.870 0.042 0.000 1.073 750 L CA 2.289 57.157 54.840 0.046 0.000 0.748 750 L CB -1.216 40.921 42.059 0.131 0.000 0.891 750 L HN 0.387 nan 8.230 nan 0.000 0.431 751 G N -1.064 107.773 108.800 0.062 0.000 2.484 751 G HA2 -0.261 3.699 3.960 0.001 0.000 0.215 751 G HA3 -0.261 3.699 3.960 0.001 0.000 0.215 751 G C 1.599 176.534 174.900 0.060 0.000 1.219 751 G CA 0.923 46.063 45.100 0.066 0.000 0.791 751 G HN 0.652 nan 8.290 nan 0.000 0.550 752 A N 0.921 123.759 122.820 0.029 0.000 1.978 752 A HA 0.237 4.557 4.320 0.001 0.000 0.220 752 A C 2.758 180.313 177.584 -0.049 0.000 1.170 752 A CA 2.389 54.434 52.037 0.014 0.000 0.636 752 A CB -0.664 18.344 19.000 0.015 0.000 0.810 752 A HN 0.798 nan 8.150 nan 0.000 0.448 753 A N -1.624 121.078 122.820 -0.196 0.000 1.872 753 A HA -0.028 4.292 4.320 0.001 0.000 0.214 753 A C 1.923 179.323 177.584 -0.306 0.000 1.187 753 A CA 1.319 53.079 52.037 -0.461 0.000 0.614 753 A CB -0.703 17.483 19.000 -1.357 0.000 0.826 753 A HN 0.703 nan 8.150 nan 0.000 0.442 754 W N -0.951 120.205 121.300 -0.239 0.000 2.539 754 W HA 0.259 4.920 4.660 0.001 0.000 0.281 754 W C 2.281 178.787 176.519 -0.022 0.000 1.220 754 W CA 0.896 58.172 57.345 -0.115 0.000 1.332 754 W CB -0.139 29.233 29.460 -0.146 0.000 1.095 754 W HN 0.356 nan 8.180 nan 0.000 0.571 755 G N -0.889 108.028 108.800 0.195 0.000 3.044 755 G HA2 0.435 4.395 3.960 0.001 0.000 0.223 755 G HA3 0.435 4.395 3.960 0.001 0.000 0.223 755 G C 0.596 175.585 174.900 0.149 0.000 1.123 755 G CA 0.233 45.429 45.100 0.160 0.000 0.765 755 G HN 0.384 nan 8.290 nan 0.000 0.546 756 G N -0.779 108.097 108.800 0.127 0.000 2.755 756 G HA2 0.179 4.139 3.960 0.001 0.000 0.686 756 G HA3 0.179 4.139 3.960 0.001 0.000 0.686 756 G C -0.433 174.580 174.900 0.189 0.000 1.427 756 G CA -0.000 45.193 45.100 0.154 0.000 0.873 756 G HN 1.050 nan 8.290 nan 0.000 0.580 757 S N -0.499 115.314 115.700 0.188 0.000 2.571 757 S HA 0.561 5.032 4.470 0.001 0.000 0.284 757 S C -0.741 173.867 174.600 0.012 0.000 1.128 757 S CA -0.535 57.736 58.200 0.118 0.000 0.970 757 S CB 1.101 64.330 63.200 0.047 0.000 1.039 757 S HN 1.575 nan 8.310 nan 0.000 0.485 758 Y N 6.315 126.423 120.300 -0.320 0.000 2.486 758 Y HA 0.397 4.947 4.550 0.000 0.000 0.348 758 Y C 0.577 176.278 175.900 -0.331 0.000 1.000 758 Y CA -0.339 57.324 58.100 -0.730 0.000 1.253 758 Y CB 0.068 38.078 38.460 -0.751 0.000 1.140 758 Y HN 0.421 nan 8.280 nan 0.000 0.526 759 V N 5.304 125.043 119.914 -0.292 0.000 2.341 759 V HA 0.021 4.141 4.120 0.001 0.000 0.240 759 V C 0.599 176.462 176.094 -0.384 0.000 1.035 759 V CA 1.611 63.754 62.300 -0.262 0.000 1.033 759 V CB -0.459 31.311 31.823 -0.089 0.000 0.678 759 V HN 0.879 nan 8.190 nan 0.000 0.464 760 N N -1.258 117.288 118.700 -0.257 0.000 3.547 760 N HA 0.136 4.876 4.740 0.001 0.000 0.347 760 N C -2.058 173.555 175.510 0.172 0.000 1.533 760 N CA -0.544 52.408 53.050 -0.163 0.000 0.848 760 N CB 0.925 39.373 38.487 -0.064 0.000 2.112 760 N HN 0.068 nan 8.380 nan 0.000 0.527 761 D N -0.373 120.148 120.400 0.202 0.000 2.342 761 D HA 0.604 5.244 4.640 0.001 0.000 0.243 761 D C -0.668 175.855 176.300 0.370 0.000 1.019 761 D CA -0.162 54.020 54.000 0.302 0.000 0.864 761 D CB 1.811 42.734 40.800 0.204 0.000 1.315 761 D HN 0.473 nan 8.370 nan 0.000 0.468 762 F N -1.114 118.935 119.950 0.165 0.000 2.740 762 F HA 0.731 5.258 4.527 0.000 0.000 0.357 762 F C -1.050 174.824 175.800 0.124 0.000 1.141 762 F CA -1.118 56.995 58.000 0.188 0.000 1.044 762 F CB 1.070 40.276 39.000 0.343 0.000 1.430 762 F HN 0.083 nan 8.300 nan 0.000 0.518 763 I N 1.763 122.158 120.570 -0.292 0.000 2.495 763 I HA 0.162 4.332 4.170 0.001 0.000 0.277 763 I C -1.188 174.690 176.117 -0.398 0.000 1.045 763 I CA -0.332 60.752 61.300 -0.360 0.000 1.135 763 I CB 1.120 39.061 38.000 -0.098 0.000 1.241 763 I HN 0.553 nan 8.210 nan 0.000 0.469 764 D N 7.373 127.387 120.400 -0.644 0.000 2.380 764 D HA 0.201 4.841 4.640 0.001 0.000 0.230 764 D C 0.472 176.713 176.300 -0.098 0.000 1.154 764 D CA -0.207 53.638 54.000 -0.259 0.000 0.859 764 D CB 0.609 41.286 40.800 -0.205 0.000 1.045 764 D HN 0.503 nan 8.370 nan 0.000 0.495 765 R N 2.473 122.965 120.500 -0.013 0.000 3.641 765 R HA -0.246 4.095 4.340 0.001 0.000 0.286 765 R C 1.063 177.346 176.300 -0.029 0.000 1.153 765 R CA 0.634 56.736 56.100 0.002 0.000 0.775 765 R CB -1.765 28.551 30.300 0.028 0.000 1.215 765 R HN 0.808 nan 8.270 nan 0.000 0.474 766 G N -0.251 108.519 108.800 -0.050 0.000 2.194 766 G HA2 -0.356 3.605 3.960 0.001 0.000 0.236 766 G HA3 -0.356 3.605 3.960 0.001 0.000 0.236 766 G C 0.046 174.899 174.900 -0.077 0.000 0.987 766 G CA 0.303 45.371 45.100 -0.053 0.000 0.635 766 G HN 0.445 nan 8.290 nan 0.000 0.520 767 R N 0.294 120.729 120.500 -0.109 0.000 2.445 767 R HA 0.621 4.962 4.340 0.001 0.000 0.308 767 R C 0.117 176.310 176.300 -0.179 0.000 0.961 767 R CA -0.407 55.620 56.100 -0.121 0.000 0.862 767 R CB 1.777 32.010 30.300 -0.111 0.000 1.144 767 R HN 0.457 nan 8.270 nan 0.000 0.447 768 V N 5.126 124.959 119.914 -0.135 0.000 2.479 768 V HA 0.227 4.348 4.120 0.001 0.000 0.281 768 V C -0.707 175.305 176.094 -0.138 0.000 1.031 768 V CA 0.634 62.850 62.300 -0.139 0.000 1.038 768 V CB 0.390 32.181 31.823 -0.054 0.000 0.981 768 V HN 0.841 nan 8.190 nan 0.000 0.478 769 K N 5.023 125.295 120.400 -0.212 0.000 2.263 769 K HA 0.613 4.934 4.320 0.001 0.000 0.249 769 K C -0.916 175.788 176.600 0.173 0.000 1.076 769 K CA -1.114 55.136 56.287 -0.062 0.000 0.884 769 K CB 1.829 34.277 32.500 -0.087 0.000 1.394 769 K HN 0.557 nan 8.250 nan 0.000 0.476 770 K N 0.883 121.439 120.400 0.259 0.000 2.087 770 K HA 0.413 4.734 4.320 0.001 0.000 0.255 770 K C -0.749 176.073 176.600 0.369 0.000 0.988 770 K CA -0.684 55.764 56.287 0.269 0.000 0.915 770 K CB 1.510 33.998 32.500 -0.020 0.000 1.043 770 K HN 0.157 nan 8.250 nan 0.000 0.457 771 V N 2.922 123.001 119.914 0.274 0.000 2.409 771 V HA 0.292 4.412 4.120 0.001 0.000 0.291 771 V C -1.135 174.960 176.094 0.001 0.000 1.020 771 V CA -0.842 61.479 62.300 0.035 0.000 0.848 771 V CB 0.421 32.249 31.823 0.009 0.000 0.990 771 V HN 0.592 nan 8.190 nan 0.000 0.430 772 Y N 2.674 122.922 120.300 -0.087 0.000 2.468 772 Y HA 0.704 5.254 4.550 0.000 0.000 0.342 772 Y C -0.035 175.751 175.900 -0.190 0.000 1.021 772 Y CA -0.721 57.332 58.100 -0.077 0.000 1.079 772 Y CB 2.303 40.694 38.460 -0.116 0.000 1.226 772 Y HN 0.414 nan 8.280 nan 0.000 0.460 773 V N 5.607 125.534 119.914 0.020 0.000 2.487 773 V HA 0.692 4.812 4.120 0.001 0.000 0.298 773 V C -1.002 175.081 176.094 -0.018 0.000 1.028 773 V CA -0.506 61.764 62.300 -0.050 0.000 0.860 773 V CB 1.491 33.304 31.823 -0.016 0.000 0.991 773 V HN 0.894 nan 8.190 nan 0.000 0.427 774 M N 4.738 124.298 119.600 -0.066 0.000 2.578 774 M HA 0.505 4.985 4.480 0.001 0.000 0.276 774 M C -0.510 175.894 176.300 0.173 0.000 1.245 774 M CA -0.280 55.034 55.300 0.024 0.000 0.871 774 M CB 2.359 34.969 32.600 0.017 0.000 1.722 774 M HN 0.649 nan 8.290 nan 0.000 0.473 775 S N 1.164 116.978 115.700 0.190 0.000 2.573 775 S HA 0.151 4.621 4.470 0.001 0.000 0.277 775 S C -0.330 174.542 174.600 0.454 0.000 1.346 775 S CA -0.001 58.411 58.200 0.353 0.000 1.034 775 S CB 0.377 63.753 63.200 0.294 0.000 0.879 775 S HN 0.727 nan 8.310 nan 0.000 0.528 776 E N 1.830 122.297 120.200 0.445 0.000 2.413 776 E HA 0.196 4.546 4.350 0.001 0.000 0.263 776 E C 1.380 178.008 176.600 0.047 0.000 1.015 776 E CA 0.262 56.800 56.400 0.230 0.000 0.916 776 E CB 0.462 30.323 29.700 0.268 0.000 0.947 776 E HN 0.743 nan 8.360 nan 0.000 0.440 777 A N 4.969 127.666 122.820 -0.206 0.000 1.896 777 A HA -0.326 3.994 4.320 0.001 0.000 0.220 777 A C 1.712 179.139 177.584 -0.263 0.000 1.206 777 A CA 2.360 54.251 52.037 -0.243 0.000 0.647 777 A CB -0.646 18.160 19.000 -0.323 0.000 0.828 777 A HN 0.755 nan 8.150 nan 0.000 0.455 778 K N -1.663 118.497 120.400 -0.399 0.000 2.585 778 K HA -0.113 4.208 4.320 0.001 0.000 0.194 778 K C 0.461 176.661 176.600 -0.668 0.000 1.037 778 K CA 1.509 57.454 56.287 -0.570 0.000 0.964 778 K CB -0.398 31.676 32.500 -0.709 0.000 0.787 778 K HN 0.695 nan 8.250 nan 0.000 0.488 779 Y N 1.202 121.424 120.300 -0.130 0.000 2.557 779 Y HA 0.236 4.786 4.550 0.000 0.000 0.247 779 Y C 0.448 176.199 175.900 -0.249 0.000 1.164 779 Y CA -0.908 57.120 58.100 -0.119 0.000 1.218 779 Y CB 0.748 39.147 38.460 -0.102 0.000 1.210 779 Y HN 0.077 nan 8.280 nan 0.000 0.529 780 R N -1.538 118.721 120.500 -0.402 0.000 2.635 780 R HA 0.352 4.692 4.340 0.001 0.000 0.393 780 R C -0.071 175.908 176.300 -0.534 0.000 1.070 780 R CA -0.014 55.377 56.100 -1.181 0.000 1.118 780 R CB -0.087 29.551 30.300 -1.104 0.000 1.341 780 R HN 0.072 nan 8.270 nan 0.000 0.628 781 M N 0.215 119.711 119.600 -0.173 0.000 2.940 781 M HA 0.343 4.824 4.480 0.001 0.000 0.248 781 M C 0.473 176.866 176.300 0.156 0.000 1.379 781 M CA 0.642 55.953 55.300 0.018 0.000 1.262 781 M CB -0.054 32.517 32.600 -0.048 0.000 1.201 781 M HN 0.187 nan 8.290 nan 0.000 0.553 782 L N -0.044 121.269 121.223 0.149 0.000 2.334 782 L HA 0.300 4.640 4.340 0.001 0.000 0.272 782 L C -1.510 175.414 176.870 0.090 0.000 1.020 782 L CA -1.945 52.953 54.840 0.096 0.000 0.812 782 L CB 0.561 42.651 42.059 0.051 0.000 1.264 782 L HN -0.058 nan 8.230 nan 0.000 0.439 783 P HA -0.199 nan 4.420 nan 0.000 0.218 783 P C 0.478 177.744 177.300 -0.056 0.000 1.152 783 P CA 1.308 64.212 63.100 -0.327 0.000 0.857 783 P CB 0.163 31.656 31.700 -0.344 0.000 0.787 784 D N -1.537 118.878 120.400 0.025 0.000 2.378 784 D HA -0.091 4.550 4.640 0.001 0.000 0.222 784 D C 0.964 177.331 176.300 0.112 0.000 0.980 784 D CA 0.830 54.866 54.000 0.060 0.000 0.907 784 D CB -0.572 40.257 40.800 0.049 0.000 0.899 784 D HN 0.197 nan 8.370 nan 0.000 0.527 785 D N -0.509 120.017 120.400 0.210 0.000 2.350 785 D HA 0.019 4.659 4.640 0.001 0.000 0.213 785 D C 2.024 178.623 176.300 0.498 0.000 1.031 785 D CA -0.053 54.136 54.000 0.314 0.000 0.861 785 D CB 0.244 41.235 40.800 0.319 0.000 0.926 785 D HN 0.179 nan 8.370 nan 0.000 0.520 786 I N 0.840 121.644 120.570 0.389 0.000 2.264 786 I HA -0.145 4.026 4.170 0.001 0.000 0.248 786 I C 2.398 178.605 176.117 0.148 0.000 1.111 786 I CA 1.182 62.618 61.300 0.226 0.000 1.382 786 I CB -1.386 36.568 38.000 -0.077 0.000 1.060 786 I HN 0.023 nan 8.210 nan 0.000 0.418 787 G N 0.934 109.783 108.800 0.082 0.000 2.470 787 G HA2 -0.239 3.721 3.960 0.001 0.000 0.220 787 G HA3 -0.239 3.721 3.960 0.001 0.000 0.220 787 G C 1.073 175.888 174.900 -0.143 0.000 1.121 787 G CA 0.717 45.803 45.100 -0.023 0.000 0.766 787 G HN 0.382 nan 8.290 nan 0.000 0.553 788 D N -0.758 119.590 120.400 -0.087 0.000 2.310 788 D HA 0.006 4.646 4.640 0.001 0.000 0.212 788 D C 0.306 176.336 176.300 -0.451 0.000 0.965 788 D CA 0.334 54.181 54.000 -0.256 0.000 0.879 788 D CB 0.055 40.663 40.800 -0.320 0.000 0.921 788 D HN 0.502 nan 8.370 nan 0.000 0.510 789 W N 0.011 121.236 121.300 -0.126 0.000 2.417 789 W HA 0.491 5.151 4.660 0.001 0.000 0.317 789 W C -0.505 176.008 176.519 -0.011 0.000 1.121 789 W CA -0.788 56.583 57.345 0.042 0.000 1.208 789 W CB 0.557 30.061 29.460 0.074 0.000 1.253 789 W HN -0.203 nan 8.180 nan 0.000 0.533 790 Y N 1.103 121.721 120.300 0.530 0.000 2.499 790 Y HA 0.631 5.181 4.550 0.001 0.000 0.347 790 Y C -0.283 175.825 175.900 0.347 0.000 0.987 790 Y CA -1.410 56.909 58.100 0.366 0.000 1.044 790 Y CB 1.637 40.209 38.460 0.187 0.000 1.245 790 Y HN -0.034 nan 8.280 nan 0.000 0.461 791 V N 2.855 122.997 119.914 0.380 0.000 2.495 791 V HA 0.452 4.573 4.120 0.001 0.000 0.298 791 V C -0.344 175.855 176.094 0.176 0.000 1.031 791 V CA -1.175 61.265 62.300 0.233 0.000 0.871 791 V CB 1.737 33.611 31.823 0.086 0.000 0.988 791 V HN 0.680 nan 8.190 nan 0.000 0.432 792 R N 3.141 123.720 120.500 0.132 0.000 2.347 792 R HA 0.597 4.938 4.340 0.001 0.000 0.304 792 R C 0.248 176.577 176.300 0.048 0.000 1.072 792 R CA 0.069 56.223 56.100 0.090 0.000 0.980 792 R CB 0.737 31.085 30.300 0.079 0.000 0.986 792 R HN 0.913 nan 8.270 nan 0.000 0.448 793 A N 3.517 126.362 122.820 0.042 0.000 2.259 793 A HA 0.447 4.767 4.320 0.001 0.000 0.278 793 A C 1.176 178.765 177.584 0.007 0.000 1.107 793 A CA 0.206 52.250 52.037 0.012 0.000 0.828 793 A CB 0.345 19.357 19.000 0.021 0.000 1.111 793 A HN 0.974 nan 8.150 nan 0.000 0.498 794 A N 0.079 122.896 122.820 -0.005 0.000 1.908 794 A HA -0.189 4.131 4.320 0.001 0.000 0.218 794 A C 1.617 179.203 177.584 0.004 0.000 1.181 794 A CA 2.144 54.178 52.037 -0.004 0.000 0.627 794 A CB -0.790 18.203 19.000 -0.011 0.000 0.818 794 A HN 0.896 nan 8.150 nan 0.000 0.445 795 D N -2.281 118.123 120.400 0.007 0.000 2.183 795 D HA 0.138 4.778 4.640 0.001 0.000 0.203 795 D C 1.354 177.662 176.300 0.014 0.000 0.969 795 D CA 1.604 55.610 54.000 0.010 0.000 0.842 795 D CB -0.364 40.442 40.800 0.010 0.000 0.957 795 D HN 0.822 nan 8.370 nan 0.000 0.484 796 G N 0.601 109.413 108.800 0.019 0.000 2.551 796 G HA2 -0.190 3.770 3.960 0.001 0.000 0.186 796 G HA3 -0.190 3.770 3.960 0.001 0.000 0.186 796 G C 0.195 175.112 174.900 0.029 0.000 1.002 796 G CA 0.119 45.233 45.100 0.023 0.000 0.723 796 G HN 0.599 nan 8.290 nan 0.000 0.481 797 Q N 1.026 120.844 119.800 0.030 0.000 2.312 797 Q HA 0.759 5.099 4.340 0.001 0.000 0.236 797 Q C 0.070 176.103 176.000 0.056 0.000 0.965 797 Q CA -0.663 55.159 55.803 0.031 0.000 0.894 797 Q CB 0.888 29.643 28.738 0.027 0.000 1.225 797 Q HN 0.115 nan 8.270 nan 0.000 0.478 798 M N 2.073 121.704 119.600 0.051 0.000 2.180 798 M HA 0.297 4.778 4.480 0.001 0.000 0.358 798 M C -0.922 175.500 176.300 0.203 0.000 1.233 798 M CA -0.581 54.785 55.300 0.110 0.000 1.114 798 M CB 1.042 33.647 32.600 0.010 0.000 1.594 798 M HN 0.516 nan 8.290 nan 0.000 0.467 799 V N 6.633 126.719 119.914 0.286 0.000 2.448 799 V HA 0.450 4.571 4.120 0.001 0.000 0.295 799 V C -2.019 174.266 176.094 0.319 0.000 1.025 799 V CA -1.508 60.968 62.300 0.293 0.000 0.859 799 V CB 1.850 33.832 31.823 0.265 0.000 0.988 799 V HN 0.659 nan 8.190 nan 0.000 0.431 800 P HA 0.247 nan 4.420 nan 0.000 0.274 800 P C 0.557 177.655 177.300 -0.336 0.000 1.237 800 P CA -0.252 62.770 63.100 -0.131 0.000 0.793 800 P CB 0.982 32.609 31.700 -0.123 0.000 0.977 801 F N 0.509 120.167 119.950 -0.487 0.000 2.293 801 F HA -0.169 4.358 4.527 0.000 0.000 0.300 801 F C 2.543 177.873 175.800 -0.784 0.000 1.086 801 F CA 1.881 59.392 58.000 -0.815 0.000 1.375 801 F CB -0.494 38.319 39.000 -0.311 0.000 1.045 801 F HN 0.294 nan 8.300 nan 0.000 0.516 802 S N -0.334 115.204 115.700 -0.270 0.000 2.547 802 S HA -0.025 4.445 4.470 0.001 0.000 0.235 802 S C 1.887 176.359 174.600 -0.213 0.000 0.980 802 S CA 0.562 58.651 58.200 -0.186 0.000 0.941 802 S CB -0.452 62.697 63.200 -0.086 0.000 0.763 802 S HN 0.247 nan 8.310 nan 0.000 0.532 803 A N 1.032 123.647 122.820 -0.341 0.000 2.123 803 A HA 0.412 4.732 4.320 0.001 0.000 0.214 803 A C 1.338 178.883 177.584 -0.066 0.000 1.152 803 A CA 0.479 52.419 52.037 -0.162 0.000 0.728 803 A CB -0.483 18.486 19.000 -0.052 0.000 0.814 803 A HN 0.908 nan 8.150 nan 0.000 0.464 804 F N -1.669 118.264 119.950 -0.029 0.000 2.936 804 F HA 0.414 4.941 4.527 0.000 0.000 0.334 804 F C 0.065 175.845 175.800 -0.032 0.000 1.170 804 F CA -0.138 57.835 58.000 -0.045 0.000 1.104 804 F CB -0.084 38.864 39.000 -0.085 0.000 1.216 804 F HN 0.060 nan 8.300 nan 0.000 0.518 805 S N 0.212 115.901 115.700 -0.019 0.000 2.547 805 S HA 0.689 5.159 4.470 0.001 0.000 0.281 805 S C -0.872 173.707 174.600 -0.036 0.000 1.118 805 S CA -0.507 57.711 58.200 0.030 0.000 0.947 805 S CB 1.862 65.108 63.200 0.077 0.000 1.053 805 S HN 0.296 nan 8.310 nan 0.000 0.482 806 S N 1.861 117.530 115.700 -0.051 0.000 2.501 806 S HA 0.812 5.282 4.470 0.001 0.000 0.301 806 S C -0.691 173.798 174.600 -0.184 0.000 1.096 806 S CA -0.482 57.661 58.200 -0.094 0.000 1.063 806 S CB 0.886 64.041 63.200 -0.074 0.000 1.042 806 S HN 1.216 nan 8.310 nan 0.000 0.494 807 S N 4.536 120.086 115.700 -0.250 0.000 2.557 807 S HA 0.759 5.229 4.470 0.001 0.000 0.291 807 S C -0.720 173.576 174.600 -0.506 0.000 1.116 807 S CA -1.152 56.740 58.200 -0.514 0.000 0.992 807 S CB 1.321 64.082 63.200 -0.732 0.000 1.028 807 S HN 0.958 nan 8.310 nan 0.000 0.484 808 R N 0.782 120.927 120.500 -0.592 0.000 2.837 808 R HA 0.589 4.929 4.340 0.001 0.000 0.271 808 R C -1.661 174.360 176.300 -0.465 0.000 0.993 808 R CA -1.032 54.837 56.100 -0.385 0.000 0.931 808 R CB 0.999 31.187 30.300 -0.186 0.000 1.206 808 R HN 0.620 nan 8.270 nan 0.000 0.474 809 W N 0.860 122.063 121.300 -0.162 0.000 2.237 809 W HA 0.351 5.011 4.660 0.000 0.000 0.335 809 W C 0.469 176.840 176.519 -0.246 0.000 1.230 809 W CA -0.039 57.207 57.345 -0.166 0.000 1.253 809 W CB 1.095 30.474 29.460 -0.134 0.000 1.129 809 W HN 0.526 nan 8.180 nan 0.000 0.590 810 E N -0.122 120.071 120.200 -0.011 0.000 2.442 810 E HA 0.484 4.834 4.350 0.001 0.000 0.261 810 E C -1.798 174.578 176.600 -0.374 0.000 0.935 810 E CA -1.138 55.180 56.400 -0.138 0.000 0.856 810 E CB 2.223 31.897 29.700 -0.044 0.000 1.571 810 E HN 0.247 nan 8.360 nan 0.000 0.431 811 Y N -1.092 119.267 120.300 0.098 0.000 2.534 811 Y HA 0.676 5.226 4.550 0.001 0.000 0.345 811 Y C 0.160 176.089 175.900 0.048 0.000 1.031 811 Y CA -0.507 57.640 58.100 0.078 0.000 1.022 811 Y CB 2.727 41.226 38.460 0.066 0.000 1.292 811 Y HN 0.642 nan 8.280 nan 0.000 0.459 812 G N 0.193 109.123 108.800 0.218 0.000 2.387 812 G HA2 0.439 4.400 3.960 0.001 0.000 0.294 812 G HA3 0.439 4.400 3.960 0.001 0.000 0.294 812 G C -1.558 173.367 174.900 0.043 0.000 1.509 812 G CA -0.799 44.349 45.100 0.081 0.000 0.806 812 G HN 0.734 nan 8.290 nan 0.000 0.546 813 S N 0.205 115.857 115.700 -0.080 0.000 2.562 813 S HA 0.639 5.109 4.470 0.001 0.000 0.275 813 S C -1.481 173.108 174.600 -0.020 0.000 1.281 813 S CA -0.970 57.190 58.200 -0.067 0.000 1.045 813 S CB 2.055 65.114 63.200 -0.236 0.000 0.962 813 S HN 0.259 nan 8.310 nan 0.000 0.503 814 P HA 0.157 nan 4.420 nan 0.000 0.227 814 P C 0.086 177.404 177.300 0.030 0.000 1.161 814 P CA 0.570 63.691 63.100 0.035 0.000 0.788 814 P CB 0.170 31.902 31.700 0.054 0.000 0.822 815 R N 0.149 120.667 120.500 0.030 0.000 2.500 815 R HA 0.450 4.790 4.340 0.001 0.000 0.299 815 R C -1.309 175.015 176.300 0.040 0.000 1.038 815 R CA -0.533 55.590 56.100 0.039 0.000 0.903 815 R CB 0.734 31.066 30.300 0.053 0.000 1.177 815 R HN 0.004 nan 8.270 nan 0.000 0.455 816 L N 4.189 125.429 121.223 0.028 0.000 2.280 816 L HA 0.411 4.751 4.340 0.001 0.000 0.287 816 L C -0.097 176.812 176.870 0.064 0.000 1.023 816 L CA -0.478 54.386 54.840 0.040 0.000 0.819 816 L CB 1.671 43.729 42.059 -0.001 0.000 1.212 816 L HN 0.494 nan 8.230 nan 0.000 0.420 817 E N 4.107 124.358 120.200 0.086 0.000 2.242 817 E HA 0.648 4.999 4.350 0.001 0.000 0.275 817 E C -0.917 175.732 176.600 0.082 0.000 1.002 817 E CA -0.923 55.525 56.400 0.079 0.000 0.841 817 E CB 1.788 31.532 29.700 0.072 0.000 1.109 817 E HN 0.451 nan 8.360 nan 0.000 0.394 818 R N 1.431 121.983 120.500 0.086 0.000 2.673 818 R HA 0.405 4.745 4.340 0.001 0.000 0.281 818 R C -1.620 174.763 176.300 0.139 0.000 0.991 818 R CA -0.925 55.228 56.100 0.088 0.000 0.896 818 R CB 1.696 32.029 30.300 0.055 0.000 1.201 818 R HN 0.540 nan 8.270 nan 0.000 0.457 819 Y N 2.270 122.553 120.300 -0.027 0.000 2.346 819 Y HA 0.207 4.757 4.550 0.000 0.000 0.332 819 Y C -0.412 175.462 175.900 -0.043 0.000 0.985 819 Y CA -0.919 57.155 58.100 -0.044 0.000 1.112 819 Y CB 1.293 39.697 38.460 -0.093 0.000 1.170 819 Y HN 0.727 nan 8.280 nan 0.000 0.447 820 N N 3.903 122.326 118.700 -0.462 0.000 2.725 820 N HA -0.210 4.530 4.740 0.001 0.000 0.249 820 N C 0.870 176.298 175.510 -0.137 0.000 1.103 820 N CA 1.865 54.723 53.050 -0.319 0.000 0.707 820 N CB -1.220 37.067 38.487 -0.334 0.000 1.043 820 N HN 1.388 nan 8.380 nan 0.000 0.553 821 G N -2.297 106.451 108.800 -0.087 0.000 2.234 821 G HA2 -0.290 3.670 3.960 0.001 0.000 0.235 821 G HA3 -0.290 3.670 3.960 0.001 0.000 0.235 821 G C -0.049 174.844 174.900 -0.013 0.000 0.997 821 G CA 0.394 45.469 45.100 -0.042 0.000 0.623 821 G HN 0.389 nan 8.290 nan 0.000 0.514 822 L N 1.162 122.383 121.223 -0.003 0.000 2.330 822 L HA 0.572 4.912 4.340 0.001 0.000 0.271 822 L C -2.201 174.691 176.870 0.037 0.000 1.013 822 L CA -2.631 52.218 54.840 0.015 0.000 0.816 822 L CB 1.781 43.844 42.059 0.007 0.000 1.287 822 L HN -0.185 nan 8.230 nan 0.000 0.435 823 P HA 0.042 nan 4.420 nan 0.000 0.265 823 P C -0.943 176.388 177.300 0.052 0.000 1.193 823 P CA 0.036 63.171 63.100 0.058 0.000 0.765 823 P CB 0.770 32.508 31.700 0.064 0.000 0.823 824 S N 2.489 118.225 115.700 0.061 0.000 2.651 824 S HA 0.832 5.302 4.470 0.001 0.000 0.279 824 S C -1.015 173.601 174.600 0.027 0.000 1.148 824 S CA -0.871 57.349 58.200 0.033 0.000 0.837 824 S CB 1.394 64.626 63.200 0.054 0.000 1.138 824 S HN 0.231 nan 8.310 nan 0.000 0.478 825 M N 1.568 121.162 119.600 -0.010 0.000 2.183 825 M HA 0.381 4.861 4.480 0.001 0.000 0.277 825 M C -0.962 175.325 176.300 -0.020 0.000 0.995 825 M CA -0.140 55.162 55.300 0.004 0.000 0.969 825 M CB 2.266 34.875 32.600 0.014 0.000 1.659 825 M HN 0.902 nan 8.290 nan 0.000 0.462 826 E N 3.301 123.487 120.200 -0.023 0.000 2.257 826 E HA 0.342 4.692 4.350 0.001 0.000 0.278 826 E C -1.381 175.233 176.600 0.024 0.000 1.049 826 E CA -0.122 56.256 56.400 -0.036 0.000 0.876 826 E CB 0.711 30.384 29.700 -0.045 0.000 1.035 826 E HN 0.485 nan 8.360 nan 0.000 0.419 827 I N 5.864 126.501 120.570 0.113 0.000 2.362 827 I HA 0.234 4.404 4.170 0.001 0.000 0.289 827 I C -0.288 175.908 176.117 0.131 0.000 0.994 827 I CA -0.256 61.122 61.300 0.130 0.000 1.158 827 I CB 1.166 39.280 38.000 0.190 0.000 1.315 827 I HN 0.433 nan 8.210 nan 0.000 0.451 828 L N 5.230 126.409 121.223 -0.073 0.000 2.387 828 L HA 0.970 5.310 4.340 0.001 0.000 0.266 828 L C 0.487 177.028 176.870 -0.549 0.000 1.059 828 L CA -0.613 54.060 54.840 -0.277 0.000 0.801 828 L CB 1.620 43.478 42.059 -0.334 0.000 1.223 828 L HN 0.764 nan 8.230 nan 0.000 0.456 829 G N 0.414 108.569 108.800 -1.075 0.000 2.377 829 G HA2 0.362 4.322 3.960 0.001 0.000 0.297 829 G HA3 0.362 4.322 3.960 0.001 0.000 0.297 829 G C -2.031 172.182 174.900 -1.145 0.000 1.547 829 G CA -0.648 43.758 45.100 -1.155 0.000 0.833 829 G HN 0.459 nan 8.290 nan 0.000 0.583 830 Q N -0.678 118.849 119.800 -0.454 0.000 2.378 830 Q HA 0.762 5.102 4.340 0.001 0.000 0.276 830 Q C -0.031 175.996 176.000 0.046 0.000 1.083 830 Q CA -0.891 54.809 55.803 -0.171 0.000 0.856 830 Q CB 2.472 31.162 28.738 -0.080 0.000 1.383 830 Q HN 0.952 nan 8.270 nan 0.000 0.458 831 A N 0.614 123.484 122.820 0.084 0.000 2.304 831 A HA 0.692 5.013 4.320 0.001 0.000 0.301 831 A C -0.282 177.338 177.584 0.061 0.000 1.132 831 A CA -0.326 51.769 52.037 0.097 0.000 0.819 831 A CB 0.516 19.565 19.000 0.081 0.000 1.094 831 A HN 0.738 nan 8.150 nan 0.000 0.492 832 A N 3.259 126.114 122.820 0.058 0.000 2.448 832 A HA 0.496 4.816 4.320 0.001 0.000 0.239 832 A C -0.947 176.657 177.584 0.034 0.000 1.080 832 A CA -0.755 51.309 52.037 0.046 0.000 0.779 832 A CB -0.564 18.463 19.000 0.045 0.000 1.026 832 A HN 0.640 nan 8.150 nan 0.000 0.499 833 P HA -0.242 nan 4.420 nan 0.000 0.230 833 P C 1.112 178.420 177.300 0.014 0.000 1.150 833 P CA 2.249 65.363 63.100 0.022 0.000 0.933 833 P CB -0.224 31.487 31.700 0.019 0.000 0.785 834 G N 0.264 109.070 108.800 0.009 0.000 3.263 834 G HA2 -0.051 3.909 3.960 0.001 0.000 0.246 834 G HA3 -0.051 3.909 3.960 0.001 0.000 0.246 834 G C 0.111 175.011 174.900 -0.001 0.000 0.982 834 G CA -0.346 44.753 45.100 -0.001 0.000 1.897 834 G HN 0.255 nan 8.290 nan 0.000 0.624 835 K N 0.574 120.978 120.400 0.006 0.000 2.412 835 K HA 0.289 4.610 4.320 0.001 0.000 0.281 835 K C -0.403 176.197 176.600 0.001 0.000 1.027 835 K CA 0.013 56.308 56.287 0.013 0.000 0.989 835 K CB 0.364 32.879 32.500 0.024 0.000 0.935 835 K HN 0.175 nan 8.250 nan 0.000 0.475 836 S N 2.645 118.347 115.700 0.003 0.000 2.649 836 S HA 0.158 4.629 4.470 0.001 0.000 0.274 836 S C 0.503 175.104 174.600 0.002 0.000 1.176 836 S CA -0.767 57.428 58.200 -0.008 0.000 0.988 836 S CB 1.414 64.594 63.200 -0.033 0.000 1.071 836 S HN 0.723 nan 8.310 nan 0.000 0.478 837 T N 3.846 118.406 114.554 0.011 0.000 2.746 837 T HA -0.033 4.317 4.350 0.001 0.000 0.267 837 T C 2.060 176.726 174.700 -0.057 0.000 1.039 837 T CA 1.716 63.825 62.100 0.014 0.000 1.142 837 T CB -0.752 68.128 68.868 0.020 0.000 0.866 837 T HN 0.809 nan 8.240 nan 0.000 0.444 838 G N 1.334 110.092 108.800 -0.070 0.000 2.440 838 G HA2 -0.225 3.735 3.960 0.001 0.000 0.218 838 G HA3 -0.225 3.735 3.960 0.001 0.000 0.218 838 G C 1.468 176.308 174.900 -0.100 0.000 1.154 838 G CA 0.732 45.769 45.100 -0.105 0.000 0.767 838 G HN 0.521 nan 8.290 nan 0.000 0.552 839 E N 0.423 120.582 120.200 -0.068 0.000 2.110 839 E HA -0.063 4.287 4.350 0.001 0.000 0.193 839 E C 2.920 179.472 176.600 -0.079 0.000 0.988 839 E CA 0.745 57.108 56.400 -0.062 0.000 0.804 839 E CB -0.146 29.529 29.700 -0.041 0.000 0.745 839 E HN 0.438 nan 8.360 nan 0.000 0.458 840 A N 1.106 123.885 122.820 -0.068 0.000 1.854 840 A HA -0.166 4.154 4.320 0.001 0.000 0.214 840 A C 2.174 179.606 177.584 -0.253 0.000 1.192 840 A CA 1.185 53.171 52.037 -0.085 0.000 0.611 840 A CB -0.466 18.592 19.000 0.097 0.000 0.832 840 A HN 0.109 nan 8.150 nan 0.000 0.442 841 M N -0.885 118.543 119.600 -0.287 0.000 2.089 841 M HA -0.248 4.232 4.480 0.001 0.000 0.257 841 M C 2.228 178.464 176.300 -0.107 0.000 1.071 841 M CA 2.238 57.323 55.300 -0.358 0.000 1.096 841 M CB -0.433 31.786 32.600 -0.635 0.000 1.330 841 M HN 0.636 nan 8.290 nan 0.000 0.403 842 E N 0.425 120.554 120.200 -0.118 0.000 2.051 842 E HA -0.202 4.149 4.350 0.001 0.000 0.192 842 E C 2.018 178.555 176.600 -0.104 0.000 0.991 842 E CA 0.882 57.245 56.400 -0.063 0.000 0.799 842 E CB -0.039 29.627 29.700 -0.057 0.000 0.748 842 E HN 0.388 nan 8.360 nan 0.000 0.449 843 L N 0.632 121.761 121.223 -0.157 0.000 2.131 843 L HA -0.158 4.182 4.340 0.001 0.000 0.210 843 L C 2.115 178.806 176.870 -0.299 0.000 1.092 843 L CA 1.255 55.961 54.840 -0.224 0.000 0.759 843 L CB -0.406 41.510 42.059 -0.238 0.000 0.903 843 L HN 0.353 nan 8.230 nan 0.000 0.435 844 M N 0.078 119.481 119.600 -0.329 0.000 2.156 844 M HA -0.165 4.316 4.480 0.001 0.000 0.264 844 M C 2.065 178.091 176.300 -0.456 0.000 1.067 844 M CA 1.584 56.596 55.300 -0.480 0.000 1.131 844 M CB -0.764 31.458 32.600 -0.629 0.000 1.368 844 M HN 0.414 nan 8.290 nan 0.000 0.416 845 E N -1.012 119.024 120.200 -0.275 0.000 2.358 845 E HA -0.147 4.203 4.350 0.001 0.000 0.195 845 E C 1.681 178.165 176.600 -0.194 0.000 1.010 845 E CA 0.508 56.691 56.400 -0.361 0.000 0.856 845 E CB -0.312 29.316 29.700 -0.119 0.000 0.795 845 E HN 0.580 nan 8.360 nan 0.000 0.504 846 Q N 0.373 120.082 119.800 -0.153 0.000 2.049 846 Q HA -0.083 4.258 4.340 0.001 0.000 0.198 846 Q C 2.048 177.969 176.000 -0.132 0.000 0.971 846 Q CA 1.025 56.763 55.803 -0.109 0.000 0.833 846 Q CB 0.011 28.685 28.738 -0.107 0.000 0.896 846 Q HN 0.217 nan 8.270 nan 0.000 0.434 847 L N 0.212 121.313 121.223 -0.204 0.000 2.201 847 L HA -0.091 4.250 4.340 0.001 0.000 0.212 847 L C 2.146 178.912 176.870 -0.172 0.000 1.105 847 L CA 1.462 56.187 54.840 -0.192 0.000 0.775 847 L CB -0.680 41.226 42.059 -0.254 0.000 0.913 847 L HN 0.148 nan 8.230 nan 0.000 0.440 848 A N -1.174 121.510 122.820 -0.226 0.000 2.066 848 A HA -0.123 4.198 4.320 0.001 0.000 0.218 848 A C 2.338 179.910 177.584 -0.022 0.000 1.157 848 A CA 1.393 53.339 52.037 -0.151 0.000 0.670 848 A CB -0.601 18.241 19.000 -0.265 0.000 0.804 848 A HN 0.500 nan 8.150 nan 0.000 0.453 849 S N -0.438 115.252 115.700 -0.017 0.000 2.603 849 S HA 0.003 4.473 4.470 0.001 0.000 0.220 849 S C 1.467 176.073 174.600 0.011 0.000 0.967 849 S CA 0.947 59.167 58.200 0.034 0.000 0.920 849 S CB -0.000 63.228 63.200 0.048 0.000 0.773 849 S HN 0.562 nan 8.310 nan 0.000 0.529 850 K N 1.458 121.851 120.400 -0.013 0.000 2.361 850 K HA 0.280 4.601 4.320 0.001 0.000 0.196 850 K C 0.363 176.959 176.600 -0.007 0.000 1.039 850 K CA 0.040 56.320 56.287 -0.012 0.000 1.001 850 K CB -0.454 32.032 32.500 -0.023 0.000 0.795 850 K HN 0.414 nan 8.250 nan 0.000 0.495 851 L N 3.442 124.662 121.223 -0.005 0.000 2.461 851 L HA 0.207 4.547 4.340 0.001 0.000 0.272 851 L C -1.686 175.189 176.870 0.007 0.000 1.197 851 L CA -2.093 52.747 54.840 -0.000 0.000 0.836 851 L CB -0.145 41.919 42.059 0.008 0.000 1.105 851 L HN 0.184 nan 8.230 nan 0.000 0.477 852 P HA -0.019 nan 4.420 nan 0.000 0.267 852 P C -0.475 176.829 177.300 0.007 0.000 1.201 852 P CA -0.239 62.863 63.100 0.003 0.000 0.775 852 P CB 0.077 31.776 31.700 -0.002 0.000 0.854 853 T N 1.227 115.785 114.554 0.007 0.000 2.908 853 T HA 0.319 4.670 4.350 0.001 0.000 0.301 853 T C 1.440 176.143 174.700 0.006 0.000 1.019 853 T CA 1.300 63.405 62.100 0.007 0.000 1.152 853 T CB -0.097 68.775 68.868 0.006 0.000 0.966 853 T HN 0.837 nan 8.240 nan 0.000 0.540 854 G N 1.948 110.752 108.800 0.006 0.000 2.259 854 G HA2 -0.225 3.735 3.960 0.001 0.000 0.217 854 G HA3 -0.225 3.735 3.960 0.001 0.000 0.217 854 G C 0.088 174.990 174.900 0.004 0.000 1.001 854 G CA -0.237 44.865 45.100 0.003 0.000 0.627 854 G HN 0.813 nan 8.290 nan 0.000 0.501 855 V N 1.947 121.867 119.914 0.010 0.000 2.364 855 V HA 0.724 4.844 4.120 0.001 0.000 0.272 855 V C 1.021 177.135 176.094 0.032 0.000 1.036 855 V CA 0.330 62.640 62.300 0.016 0.000 0.880 855 V CB 0.872 32.706 31.823 0.019 0.000 0.991 855 V HN 0.797 nan 8.190 nan 0.000 0.460 856 G N 3.596 112.407 108.800 0.018 0.000 3.075 856 G HA2 0.815 4.775 3.960 0.001 0.000 0.253 856 G HA3 0.815 4.775 3.960 0.001 0.000 0.253 856 G C -1.305 173.614 174.900 0.031 0.000 1.353 856 G CA -0.605 44.505 45.100 0.017 0.000 1.051 856 G HN 0.825 nan 8.290 nan 0.000 0.553 857 Y N -2.122 118.059 120.300 -0.199 0.000 2.670 857 Y HA 0.777 5.328 4.550 0.000 0.000 0.334 857 Y C -1.825 173.782 175.900 -0.488 0.000 1.185 857 Y CA -1.292 56.539 58.100 -0.448 0.000 1.053 857 Y CB 2.063 40.214 38.460 -0.515 0.000 1.298 857 Y HN 0.586 nan 8.280 nan 0.000 0.459 858 D N -0.209 119.793 120.400 -0.663 0.000 2.599 858 D HA 0.352 4.992 4.640 0.001 0.000 0.252 858 D C -2.190 173.686 176.300 -0.707 0.000 1.232 858 D CA -0.549 53.108 54.000 -0.571 0.000 0.819 858 D CB 1.902 42.552 40.800 -0.251 0.000 1.401 858 D HN 0.661 nan 8.370 nan 0.000 0.429 859 W N 0.404 121.623 121.300 -0.135 0.000 2.551 859 W HA 0.565 5.225 4.660 0.000 0.000 0.330 859 W C 0.482 176.917 176.519 -0.141 0.000 1.063 859 W CA -0.505 56.776 57.345 -0.108 0.000 1.222 859 W CB 1.964 31.434 29.460 0.016 0.000 1.349 859 W HN 0.087 nan 8.180 nan 0.000 0.536 860 T N 0.613 115.184 114.554 0.028 0.000 2.864 860 T HA 0.646 4.997 4.350 0.001 0.000 0.289 860 T C 0.785 175.487 174.700 0.003 0.000 1.082 860 T CA 0.428 62.389 62.100 -0.231 0.000 1.009 860 T CB 0.799 69.339 68.868 -0.545 0.000 1.234 860 T HN 1.059 nan 8.240 nan 0.000 0.526 861 G N 2.670 111.492 108.800 0.037 0.000 2.660 861 G HA2 -0.303 3.658 3.960 0.001 0.000 0.321 861 G HA3 -0.303 3.658 3.960 0.001 0.000 0.321 861 G C 1.160 176.090 174.900 0.050 0.000 1.246 861 G CA 0.856 46.016 45.100 0.100 0.000 1.000 861 G HN 0.710 nan 8.290 nan 0.000 0.550 862 M N 1.676 121.262 119.600 -0.023 0.000 2.213 862 M HA -0.036 4.444 4.480 0.001 0.000 0.263 862 M C 2.870 179.016 176.300 -0.257 0.000 1.062 862 M CA 2.485 57.685 55.300 -0.168 0.000 1.105 862 M CB -1.446 31.091 32.600 -0.105 0.000 1.385 862 M HN 0.689 nan 8.290 nan 0.000 0.417 863 S N -1.123 114.521 115.700 -0.094 0.000 2.425 863 S HA -0.101 4.369 4.470 0.001 0.000 0.225 863 S C 1.926 176.454 174.600 -0.121 0.000 1.024 863 S CA 0.241 58.332 58.200 -0.182 0.000 0.951 863 S CB -0.936 62.141 63.200 -0.205 0.000 0.796 863 S HN 0.457 nan 8.310 nan 0.000 0.498 864 Y N 2.319 122.592 120.300 -0.045 0.000 2.165 864 Y HA -0.218 4.332 4.550 0.000 0.000 0.286 864 Y C 2.737 178.600 175.900 -0.062 0.000 1.155 864 Y CA 2.021 60.127 58.100 0.009 0.000 1.164 864 Y CB -0.369 38.119 38.460 0.048 0.000 0.978 864 Y HN 0.187 nan 8.280 nan 0.000 0.513 865 Q N 0.678 120.491 119.800 0.021 0.000 2.119 865 Q HA -0.194 4.147 4.340 0.001 0.000 0.201 865 Q C 2.156 177.933 176.000 -0.372 0.000 0.972 865 Q CA 2.011 57.691 55.803 -0.204 0.000 0.847 865 Q CB -0.244 28.199 28.738 -0.491 0.000 0.903 865 Q HN 0.691 nan 8.270 nan 0.000 0.433 866 E N -0.517 119.412 120.200 -0.452 0.000 2.047 866 E HA -0.178 4.172 4.350 0.001 0.000 0.191 866 E C 2.021 178.559 176.600 -0.103 0.000 0.987 866 E CA 0.753 57.029 56.400 -0.206 0.000 0.799 866 E CB -0.081 29.478 29.700 -0.234 0.000 0.752 866 E HN 0.187 nan 8.360 nan 0.000 0.449 867 R N 0.546 120.929 120.500 -0.196 0.000 2.083 867 R HA -0.169 4.171 4.340 0.001 0.000 0.237 867 R C 2.565 178.796 176.300 -0.115 0.000 1.137 867 R CA 1.471 57.472 56.100 -0.165 0.000 0.951 867 R CB -0.458 29.723 30.300 -0.197 0.000 0.851 867 R HN 0.337 nan 8.270 nan 0.000 0.434 868 L N 0.308 121.440 121.223 -0.153 0.000 2.131 868 L HA -0.131 4.210 4.340 0.001 0.000 0.210 868 L C 2.382 179.269 176.870 0.029 0.000 1.092 868 L CA 1.656 56.451 54.840 -0.074 0.000 0.759 868 L CB -0.242 41.773 42.059 -0.073 0.000 0.903 868 L HN 0.174 nan 8.230 nan 0.000 0.435 869 S N -0.765 114.976 115.700 0.067 0.000 2.406 869 S HA -0.056 4.414 4.470 0.001 0.000 0.228 869 S C 1.848 176.485 174.600 0.061 0.000 1.020 869 S CA 1.046 59.311 58.200 0.107 0.000 0.965 869 S CB -0.309 63.038 63.200 0.245 0.000 0.798 869 S HN 0.634 nan 8.310 nan 0.000 0.488 870 G N 1.270 110.097 108.800 0.045 0.000 2.411 870 G HA2 -0.092 3.869 3.960 0.001 0.000 0.213 870 G HA3 -0.092 3.869 3.960 0.001 0.000 0.213 870 G C 1.443 176.363 174.900 0.034 0.000 1.166 870 G CA 0.406 45.530 45.100 0.040 0.000 0.802 870 G HN 0.511 nan 8.290 nan 0.000 0.533 871 N N 0.679 119.393 118.700 0.023 0.000 2.188 871 N HA -0.055 4.685 4.740 0.001 0.000 0.184 871 N C 2.257 177.792 175.510 0.042 0.000 1.018 871 N CA 0.759 53.828 53.050 0.032 0.000 0.858 871 N CB -0.361 38.139 38.487 0.022 0.000 0.989 871 N HN 0.408 nan 8.380 nan 0.000 0.426 872 Q N 0.355 120.184 119.800 0.048 0.000 2.170 872 Q HA 0.026 4.366 4.340 0.001 0.000 0.203 872 Q C 2.031 177.969 176.000 -0.103 0.000 0.976 872 Q CA 1.207 57.051 55.803 0.068 0.000 0.858 872 Q CB -0.129 28.678 28.738 0.115 0.000 0.907 872 Q HN 0.396 nan 8.270 nan 0.000 0.433 873 A N 1.943 124.662 122.820 -0.169 0.000 1.884 873 A HA -0.193 4.127 4.320 0.001 0.000 0.219 873 A C -0.374 176.920 177.584 -0.484 0.000 1.197 873 A CA 1.734 53.525 52.037 -0.411 0.000 0.637 873 A CB -1.711 17.175 19.000 -0.189 0.000 0.827 873 A HN 0.305 nan 8.150 nan 0.000 0.450 874 P HA -0.126 nan 4.420 nan 0.000 0.215 874 P C 1.549 178.833 177.300 -0.027 0.000 1.153 874 P CA 1.948 65.047 63.100 -0.001 0.000 0.853 874 P CB -0.332 31.393 31.700 0.041 0.000 0.788 875 S N 0.018 115.715 115.700 -0.004 0.000 2.399 875 S HA -0.080 4.390 4.470 0.001 0.000 0.231 875 S C 1.973 176.638 174.600 0.109 0.000 1.022 875 S CA 0.599 58.857 58.200 0.097 0.000 0.983 875 S CB -1.092 62.234 63.200 0.210 0.000 0.803 875 S HN 0.115 nan 8.310 nan 0.000 0.480 876 L N 0.157 121.267 121.223 -0.189 0.000 2.046 876 L HA -0.161 4.179 4.340 0.001 0.000 0.208 876 L C 1.981 178.691 176.870 -0.266 0.000 1.077 876 L CA 1.703 56.250 54.840 -0.488 0.000 0.747 876 L CB -0.337 41.066 42.059 -1.093 0.000 0.896 876 L HN 0.425 nan 8.230 nan 0.000 0.432 877 Y N -0.756 119.473 120.300 -0.120 0.000 2.220 877 Y HA -0.173 4.377 4.550 0.000 0.000 0.291 877 Y C 2.684 178.540 175.900 -0.074 0.000 1.129 877 Y CA 0.483 58.516 58.100 -0.112 0.000 1.161 877 Y CB -0.451 37.945 38.460 -0.107 0.000 0.997 877 Y HN 0.273 nan 8.280 nan 0.000 0.522 878 A N 0.752 123.630 122.820 0.097 0.000 1.883 878 A HA -0.196 4.124 4.320 0.001 0.000 0.217 878 A C 2.113 179.723 177.584 0.043 0.000 1.186 878 A CA 1.963 54.031 52.037 0.051 0.000 0.624 878 A CB -1.029 17.997 19.000 0.044 0.000 0.822 878 A HN 0.516 nan 8.150 nan 0.000 0.444 879 I N -0.625 119.988 120.570 0.071 0.000 2.500 879 I HA -0.126 4.044 4.170 0.001 0.000 0.252 879 I C 2.453 178.599 176.117 0.048 0.000 1.142 879 I CA 1.030 62.375 61.300 0.074 0.000 1.451 879 I CB -0.179 37.894 38.000 0.123 0.000 1.093 879 I HN 0.182 nan 8.210 nan 0.000 0.430 880 S N 1.012 116.729 115.700 0.030 0.000 2.383 880 S HA -0.036 4.435 4.470 0.001 0.000 0.227 880 S C 2.003 176.586 174.600 -0.029 0.000 1.026 880 S CA 1.127 59.313 58.200 -0.022 0.000 0.981 880 S CB -0.204 62.956 63.200 -0.066 0.000 0.818 880 S HN 0.333 nan 8.310 nan 0.000 0.472 881 L N 0.770 121.984 121.223 -0.014 0.000 2.072 881 L HA -0.002 4.338 4.340 0.001 0.000 0.205 881 L C 2.159 179.024 176.870 -0.008 0.000 1.079 881 L CA 0.915 55.737 54.840 -0.029 0.000 0.752 881 L CB -0.467 41.564 42.059 -0.046 0.000 0.906 881 L HN 0.279 nan 8.230 nan 0.000 0.436 882 I N -0.850 119.718 120.570 -0.003 0.000 2.142 882 I HA -0.288 3.882 4.170 0.001 0.000 0.240 882 I C 2.463 178.624 176.117 0.072 0.000 1.078 882 I CA 1.200 62.513 61.300 0.023 0.000 1.343 882 I CB -0.252 37.757 38.000 0.015 0.000 1.046 882 I HN -0.002 nan 8.210 nan 0.000 0.405 883 V N 0.391 120.330 119.914 0.041 0.000 2.332 883 V HA -0.252 3.868 4.120 0.001 0.000 0.248 883 V C 2.414 178.517 176.094 0.014 0.000 1.055 883 V CA 1.589 63.907 62.300 0.031 0.000 1.038 883 V CB -0.384 31.451 31.823 0.019 0.000 0.651 883 V HN 0.243 nan 8.190 nan 0.000 0.450 884 V N -0.534 119.382 119.914 0.004 0.000 2.295 884 V HA -0.284 3.836 4.120 0.001 0.000 0.246 884 V C 2.168 178.259 176.094 -0.004 0.000 1.049 884 V CA 2.518 64.811 62.300 -0.012 0.000 1.024 884 V CB -0.777 31.027 31.823 -0.031 0.000 0.648 884 V HN 0.597 nan 8.190 nan 0.000 0.447 885 F N -0.024 119.845 119.950 -0.134 0.000 2.126 885 F HA -0.205 4.323 4.527 0.001 0.000 0.299 885 F C 2.099 177.782 175.800 -0.195 0.000 1.096 885 F CA 1.632 59.508 58.000 -0.206 0.000 1.255 885 F CB -0.175 38.656 39.000 -0.283 0.000 0.997 885 F HN 0.005 nan 8.300 nan 0.000 0.479 886 L N -0.372 120.776 121.223 -0.124 0.000 2.072 886 L HA -0.215 4.125 4.340 0.001 0.000 0.205 886 L C 2.658 179.439 176.870 -0.148 0.000 1.079 886 L CA 1.396 56.141 54.840 -0.158 0.000 0.752 886 L CB -1.801 40.267 42.059 0.015 0.000 0.906 886 L HN 0.340 nan 8.230 nan 0.000 0.436 887 C N -0.346 118.896 119.300 -0.098 0.000 2.429 887 C HA -0.154 4.306 4.460 0.001 0.000 0.277 887 C C 2.874 177.802 174.990 -0.102 0.000 1.262 887 C CA 0.254 59.225 59.018 -0.080 0.000 1.733 887 C CB -0.880 26.829 27.740 -0.051 0.000 2.010 887 C HN 0.427 nan 8.230 nan 0.000 0.483 888 L N 1.049 122.206 121.223 -0.111 0.000 2.131 888 L HA -0.132 4.209 4.340 0.001 0.000 0.210 888 L C 2.820 179.655 176.870 -0.059 0.000 1.092 888 L CA 1.401 56.226 54.840 -0.025 0.000 0.759 888 L CB -0.639 41.398 42.059 -0.036 0.000 0.903 888 L HN 0.346 nan 8.230 nan 0.000 0.435 889 A N -0.117 122.552 122.820 -0.252 0.000 1.930 889 A HA -0.075 4.245 4.320 0.001 0.000 0.217 889 A C 2.473 180.047 177.584 -0.015 0.000 1.175 889 A CA 1.571 53.500 52.037 -0.180 0.000 0.627 889 A CB -0.493 18.302 19.000 -0.342 0.000 0.815 889 A HN 0.381 nan 8.150 nan 0.000 0.443 890 A N -1.104 121.685 122.820 -0.051 0.000 1.975 890 A HA 0.216 4.537 4.320 0.001 0.000 0.215 890 A C 2.044 179.573 177.584 -0.090 0.000 1.170 890 A CA 1.350 53.365 52.037 -0.037 0.000 0.656 890 A CB -0.372 18.607 19.000 -0.036 0.000 0.821 890 A HN 0.503 nan 8.150 nan 0.000 0.449 891 L N -1.560 119.557 121.223 -0.176 0.000 2.102 891 L HA 0.141 4.481 4.340 0.001 0.000 0.202 891 L C -0.048 176.541 176.870 -0.468 0.000 1.076 891 L CA 1.164 55.780 54.840 -0.373 0.000 0.761 891 L CB -0.285 41.435 42.059 -0.565 0.000 0.921 891 L HN 0.391 nan 8.230 nan 0.000 0.444 892 Y N 0.112 120.388 120.300 -0.040 0.000 2.385 892 Y HA 0.342 4.892 4.550 0.000 0.000 0.341 892 Y C 0.520 176.421 175.900 0.002 0.000 0.965 892 Y CA -0.822 57.264 58.100 -0.024 0.000 1.180 892 Y CB 0.599 39.037 38.460 -0.037 0.000 1.139 892 Y HN -0.016 nan 8.280 nan 0.000 0.502 893 E N 2.088 122.370 120.200 0.136 0.000 3.400 893 E HA -0.004 4.346 4.350 0.001 0.000 0.290 893 E C -0.522 176.196 176.600 0.195 0.000 1.464 893 E CA 0.134 56.609 56.400 0.126 0.000 1.555 893 E CB -0.452 29.303 29.700 0.091 0.000 1.262 893 E HN 0.425 nan 8.360 nan 0.000 0.452 894 S N -0.128 115.689 115.700 0.196 0.000 2.569 894 S HA 0.340 4.810 4.470 0.001 0.000 0.280 894 S C -0.475 174.241 174.600 0.193 0.000 1.111 894 S CA -0.823 57.491 58.200 0.190 0.000 0.887 894 S CB 0.461 63.655 63.200 -0.010 0.000 1.095 894 S HN 0.590 nan 8.310 nan 0.000 0.476 895 W N 2.331 123.573 121.300 -0.097 0.000 3.107 895 W HA 0.095 4.755 4.660 0.000 0.000 0.293 895 W C 1.419 177.872 176.519 -0.111 0.000 1.239 895 W CA 0.633 57.961 57.345 -0.029 0.000 1.653 895 W CB 0.497 30.150 29.460 0.322 0.000 1.068 895 W HN 0.892 nan 8.180 nan 0.000 0.615 896 S N -0.975 114.511 115.700 -0.358 0.000 2.564 896 S HA -0.018 4.452 4.470 0.001 0.000 0.231 896 S C 1.555 176.064 174.600 -0.152 0.000 1.067 896 S CA -0.002 58.047 58.200 -0.253 0.000 0.908 896 S CB -0.553 62.209 63.200 -0.729 0.000 0.809 896 S HN -0.068 nan 8.310 nan 0.000 0.491 897 I N 3.575 124.013 120.570 -0.221 0.000 2.151 897 I HA -0.039 4.131 4.170 0.001 0.000 0.243 897 I C -0.738 175.332 176.117 -0.080 0.000 1.080 897 I CA 0.894 62.143 61.300 -0.085 0.000 1.339 897 I CB -2.643 35.292 38.000 -0.109 0.000 1.039 897 I HN 0.242 nan 8.210 nan 0.000 0.409 898 P HA -0.170 nan 4.420 nan 0.000 0.214 898 P C 2.180 179.487 177.300 0.012 0.000 1.163 898 P CA 1.434 64.419 63.100 -0.193 0.000 0.883 898 P CB -0.215 31.073 31.700 -0.686 0.000 0.788 899 F N 0.548 120.527 119.950 0.049 0.000 2.115 899 F HA -0.281 4.247 4.527 0.000 0.000 0.300 899 F C 2.515 178.278 175.800 -0.060 0.000 1.092 899 F CA 1.700 59.716 58.000 0.026 0.000 1.245 899 F CB -0.531 38.458 39.000 -0.018 0.000 0.995 899 F HN 0.028 nan 8.300 nan 0.000 0.481 900 S N -0.844 114.952 115.700 0.160 0.000 2.377 900 S HA -0.146 4.325 4.470 0.001 0.000 0.223 900 S C 1.951 176.576 174.600 0.042 0.000 1.030 900 S CA 0.921 59.185 58.200 0.107 0.000 0.970 900 S CB -0.813 62.527 63.200 0.233 0.000 0.830 900 S HN 0.261 nan 8.310 nan 0.000 0.473 901 V N 1.842 121.783 119.914 0.045 0.000 2.427 901 V HA -0.049 4.071 4.120 0.001 0.000 0.248 901 V C 2.284 178.363 176.094 -0.026 0.000 1.051 901 V CA 1.719 64.029 62.300 0.016 0.000 1.048 901 V CB -0.681 31.136 31.823 -0.010 0.000 0.666 901 V HN 0.445 nan 8.190 nan 0.000 0.456 902 M N -0.486 119.103 119.600 -0.018 0.000 2.346 902 M HA -0.097 4.383 4.480 0.001 0.000 0.263 902 M C 1.939 178.170 176.300 -0.115 0.000 1.064 902 M CA 1.666 56.947 55.300 -0.032 0.000 1.083 902 M CB -0.895 31.723 32.600 0.030 0.000 1.399 902 M HN 0.369 nan 8.290 nan 0.000 0.435 903 L N -0.735 120.330 121.223 -0.263 0.000 2.610 903 L HA -0.067 4.274 4.340 0.001 0.000 0.232 903 L C 1.873 178.464 176.870 -0.465 0.000 1.149 903 L CA -0.063 54.441 54.840 -0.560 0.000 0.872 903 L CB -0.251 41.035 42.059 -1.289 0.000 0.992 903 L HN 0.039 nan 8.230 nan 0.000 0.447 904 V N -2.156 117.659 119.914 -0.166 0.000 3.174 904 V HA -0.084 4.037 4.120 0.001 0.000 0.254 904 V C 2.333 178.447 176.094 0.032 0.000 1.120 904 V CA 0.449 62.781 62.300 0.054 0.000 1.114 904 V CB 0.358 32.251 31.823 0.116 0.000 0.756 904 V HN 0.164 nan 8.190 nan 0.000 0.467 905 V N 1.018 120.916 119.914 -0.027 0.000 2.250 905 V HA -0.245 3.875 4.120 0.001 0.000 0.253 905 V C 0.232 176.298 176.094 -0.047 0.000 1.065 905 V CA 2.898 65.167 62.300 -0.052 0.000 1.039 905 V CB -2.008 29.764 31.823 -0.084 0.000 0.647 905 V HN 0.518 nan 8.190 nan 0.000 0.446 906 P HA -0.093 nan 4.420 nan 0.000 0.218 906 P C 1.769 179.046 177.300 -0.037 0.000 1.149 906 P CA 0.995 64.054 63.100 -0.069 0.000 0.817 906 P CB -0.074 31.539 31.700 -0.146 0.000 0.785 907 L N -0.768 120.469 121.223 0.025 0.000 2.083 907 L HA -0.041 4.300 4.340 0.001 0.000 0.209 907 L C 2.442 179.339 176.870 0.045 0.000 1.083 907 L CA 2.105 56.973 54.840 0.046 0.000 0.752 907 L CB -1.829 40.305 42.059 0.125 0.000 0.899 907 L HN 0.015 nan 8.230 nan 0.000 0.433 908 G N -1.556 107.261 108.800 0.027 0.000 2.404 908 G HA2 -0.120 3.840 3.960 0.001 0.000 0.213 908 G HA3 -0.120 3.840 3.960 0.001 0.000 0.213 908 G C 1.620 176.520 174.900 0.000 0.000 1.189 908 G CA 0.733 45.840 45.100 0.013 0.000 0.796 908 G HN 0.201 nan 8.290 nan 0.000 0.532 909 V N 1.113 121.009 119.914 -0.029 0.000 2.380 909 V HA -0.203 3.918 4.120 0.001 0.000 0.251 909 V C 2.645 178.756 176.094 0.029 0.000 1.063 909 V CA 1.664 63.946 62.300 -0.031 0.000 1.055 909 V CB -0.426 31.356 31.823 -0.068 0.000 0.657 909 V HN 0.380 nan 8.190 nan 0.000 0.455 910 I N 1.153 121.737 120.570 0.023 0.000 2.264 910 I HA -0.178 3.992 4.170 0.001 0.000 0.248 910 I C 2.235 178.390 176.117 0.063 0.000 1.111 910 I CA 1.942 63.267 61.300 0.042 0.000 1.382 910 I CB -0.588 37.421 38.000 0.015 0.000 1.060 910 I HN 0.255 nan 8.210 nan 0.000 0.418 911 G N -0.664 108.171 108.800 0.058 0.000 2.464 911 G HA2 -0.093 3.867 3.960 0.001 0.000 0.217 911 G HA3 -0.093 3.867 3.960 0.001 0.000 0.217 911 G C 1.690 176.646 174.900 0.095 0.000 1.138 911 G CA 0.543 45.683 45.100 0.066 0.000 0.793 911 G HN 0.554 nan 8.290 nan 0.000 0.539 912 A N 0.542 123.427 122.820 0.108 0.000 1.897 912 A HA 0.225 4.546 4.320 0.001 0.000 0.215 912 A C 2.328 180.117 177.584 0.342 0.000 1.181 912 A CA 0.802 52.954 52.037 0.192 0.000 0.620 912 A CB -0.311 18.717 19.000 0.046 0.000 0.821 912 A HN 0.321 nan 8.150 nan 0.000 0.443 913 L N -1.142 120.239 121.223 0.263 0.000 2.217 913 L HA -0.086 4.254 4.340 0.001 0.000 0.211 913 L C 2.453 179.382 176.870 0.100 0.000 1.107 913 L CA 0.536 55.496 54.840 0.201 0.000 0.783 913 L CB -0.281 41.871 42.059 0.155 0.000 0.919 913 L HN 0.387 nan 8.230 nan 0.000 0.442 914 L N -0.361 120.927 121.223 0.108 0.000 2.023 914 L HA -0.090 4.250 4.340 0.001 0.000 0.205 914 L C 2.678 179.622 176.870 0.123 0.000 1.073 914 L CA 1.811 56.715 54.840 0.107 0.000 0.745 914 L CB -0.534 41.561 42.059 0.061 0.000 0.900 914 L HN 0.143 nan 8.230 nan 0.000 0.435 915 A N -0.622 122.254 122.820 0.093 0.000 1.883 915 A HA -0.186 4.134 4.320 0.001 0.000 0.217 915 A C 2.380 180.022 177.584 0.097 0.000 1.186 915 A CA 1.956 54.048 52.037 0.091 0.000 0.624 915 A CB -1.160 17.893 19.000 0.089 0.000 0.822 915 A HN 0.508 nan 8.150 nan 0.000 0.444 916 A N -1.538 121.308 122.820 0.044 0.000 2.014 916 A HA 0.011 4.332 4.320 0.001 0.000 0.218 916 A C 2.241 179.758 177.584 -0.112 0.000 1.163 916 A CA 2.038 54.012 52.037 -0.105 0.000 0.652 916 A CB -0.961 17.782 19.000 -0.428 0.000 0.808 916 A HN 0.425 nan 8.150 nan 0.000 0.449 917 T N -1.030 113.497 114.554 -0.046 0.000 2.812 917 T HA -0.035 4.316 4.350 0.001 0.000 0.264 917 T C 1.544 176.258 174.700 0.024 0.000 1.042 917 T CA 1.325 63.405 62.100 -0.033 0.000 1.140 917 T CB -0.329 68.540 68.868 0.001 0.000 0.870 917 T HN 0.394 nan 8.240 nan 0.000 0.445 918 F N 1.375 121.299 119.950 -0.044 0.000 2.060 918 F HA 0.124 4.651 4.527 0.001 0.000 0.295 918 F C 1.589 177.374 175.800 -0.025 0.000 1.120 918 F CA 0.969 58.956 58.000 -0.022 0.000 1.205 918 F CB -0.092 38.906 39.000 -0.003 0.000 0.986 918 F HN -0.138 nan 8.300 nan 0.000 0.470 919 R N 0.027 120.634 120.500 0.177 0.000 2.756 919 R HA 0.057 4.397 4.340 0.001 0.000 0.264 919 R C 0.565 176.866 176.300 0.000 0.000 1.026 919 R CA 0.479 56.622 56.100 0.072 0.000 1.121 919 R CB -0.008 30.326 30.300 0.057 0.000 0.999 919 R HN 0.307 nan 8.270 nan 0.000 0.449 920 G N 3.977 112.771 108.800 -0.011 0.000 3.180 920 G HA2 0.170 4.130 3.960 0.001 0.000 0.252 920 G HA3 0.170 4.130 3.960 0.001 0.000 0.252 920 G C 0.062 174.938 174.900 -0.039 0.000 0.871 920 G CA -0.019 45.062 45.100 -0.032 0.000 1.979 920 G HN 0.264 nan 8.290 nan 0.000 0.624 921 L N -0.599 120.583 121.223 -0.068 0.000 2.235 921 L HA 0.794 5.134 4.340 0.001 0.000 0.260 921 L C 0.188 176.953 176.870 -0.175 0.000 1.025 921 L CA -0.907 53.874 54.840 -0.097 0.000 0.836 921 L CB 2.611 44.617 42.059 -0.089 0.000 1.395 921 L HN 0.192 nan 8.230 nan 0.000 0.443 922 T N -1.256 113.171 114.554 -0.212 0.000 2.864 922 T HA 0.272 4.623 4.350 0.001 0.000 0.299 922 T C -0.898 173.601 174.700 -0.336 0.000 1.166 922 T CA -0.587 61.373 62.100 -0.234 0.000 1.007 922 T CB 1.558 70.359 68.868 -0.112 0.000 1.219 922 T HN 0.490 nan 8.240 nan 0.000 0.506 923 N N 2.952 121.476 118.700 -0.294 0.000 2.968 923 N HA 0.192 4.933 4.740 0.001 0.000 0.271 923 N C -0.533 174.978 175.510 0.002 0.000 1.174 923 N CA -0.339 52.598 53.050 -0.189 0.000 1.096 923 N CB -0.278 38.096 38.487 -0.189 0.000 1.403 923 N HN 0.697 nan 8.380 nan 0.000 0.522 924 D N -1.009 119.418 120.400 0.046 0.000 2.560 924 D HA 0.104 4.744 4.640 0.001 0.000 0.277 924 D C 1.449 177.746 176.300 -0.005 0.000 1.194 924 D CA -0.662 53.339 54.000 0.002 0.000 1.092 924 D CB 0.083 40.859 40.800 -0.039 0.000 1.169 924 D HN -0.089 nan 8.370 nan 0.000 0.607 925 V N -1.099 118.680 119.914 -0.224 0.000 2.358 925 V HA -0.240 3.880 4.120 0.001 0.000 0.246 925 V C 2.099 178.138 176.094 -0.090 0.000 1.047 925 V CA 1.515 63.650 62.300 -0.274 0.000 1.035 925 V CB -0.978 30.450 31.823 -0.658 0.000 0.658 925 V HN 0.471 nan 8.190 nan 0.000 0.452 926 Y N -1.823 118.487 120.300 0.017 0.000 2.293 926 Y HA -0.221 4.330 4.550 0.001 0.000 0.291 926 Y C 2.302 178.228 175.900 0.043 0.000 1.137 926 Y CA 1.539 59.649 58.100 0.017 0.000 1.202 926 Y CB -0.272 38.203 38.460 0.025 0.000 0.990 926 Y HN 0.253 nan 8.280 nan 0.000 0.537 927 F N 1.335 121.337 119.950 0.087 0.000 2.146 927 F HA -0.225 4.302 4.527 0.000 0.000 0.298 927 F C 2.156 177.982 175.800 0.043 0.000 1.096 927 F CA 1.504 59.524 58.000 0.034 0.000 1.275 927 F CB -0.458 38.536 39.000 -0.009 0.000 1.008 927 F HN 0.021 nan 8.300 nan 0.000 0.480 928 Q N -0.623 119.230 119.800 0.089 0.000 2.135 928 Q HA -0.177 4.163 4.340 0.001 0.000 0.204 928 Q C 2.321 178.308 176.000 -0.021 0.000 0.981 928 Q CA 1.867 57.719 55.803 0.081 0.000 0.856 928 Q CB -0.441 28.389 28.738 0.155 0.000 0.902 928 Q HN 0.315 nan 8.270 nan 0.000 0.425 929 V N 0.208 120.100 119.914 -0.036 0.000 2.295 929 V HA -0.211 3.909 4.120 0.001 0.000 0.246 929 V C 2.195 178.211 176.094 -0.129 0.000 1.049 929 V CA 2.028 64.245 62.300 -0.138 0.000 1.024 929 V CB -1.127 30.465 31.823 -0.386 0.000 0.648 929 V HN 0.568 nan 8.190 nan 0.000 0.447 930 G N -0.490 108.222 108.800 -0.146 0.000 2.440 930 G HA2 -0.224 3.737 3.960 0.001 0.000 0.218 930 G HA3 -0.224 3.737 3.960 0.001 0.000 0.218 930 G C 1.583 176.327 174.900 -0.261 0.000 1.154 930 G CA 0.895 45.902 45.100 -0.156 0.000 0.767 930 G HN 0.457 nan 8.290 nan 0.000 0.552 931 L N -0.213 120.759 121.223 -0.419 0.000 2.141 931 L HA 0.030 4.370 4.340 0.001 0.000 0.209 931 L C 2.850 179.548 176.870 -0.287 0.000 1.094 931 L CA 0.476 55.062 54.840 -0.423 0.000 0.763 931 L CB -0.270 41.481 42.059 -0.514 0.000 0.908 931 L HN 0.228 nan 8.230 nan 0.000 0.437 932 L N -1.091 119.997 121.223 -0.225 0.000 2.109 932 L HA -0.132 4.208 4.340 0.001 0.000 0.207 932 L C 2.570 179.203 176.870 -0.395 0.000 1.086 932 L CA 1.164 55.825 54.840 -0.298 0.000 0.760 932 L CB -0.739 41.101 42.059 -0.364 0.000 0.910 932 L HN 0.244 nan 8.230 nan 0.000 0.437 933 T N -1.352 113.054 114.554 -0.246 0.000 2.746 933 T HA -0.163 4.187 4.350 0.001 0.000 0.267 933 T C 1.853 176.469 174.700 -0.140 0.000 1.039 933 T CA 1.863 63.910 62.100 -0.090 0.000 1.142 933 T CB -0.430 68.534 68.868 0.159 0.000 0.866 933 T HN 0.320 nan 8.240 nan 0.000 0.444 934 T N 2.344 116.812 114.554 -0.143 0.000 2.849 934 T HA 0.016 4.367 4.350 0.001 0.000 0.270 934 T C 1.946 176.561 174.700 -0.141 0.000 1.066 934 T CA 0.819 62.841 62.100 -0.131 0.000 1.130 934 T CB -0.483 68.309 68.868 -0.127 0.000 0.864 934 T HN 0.384 nan 8.240 nan 0.000 0.481 935 I N 1.266 121.730 120.570 -0.177 0.000 2.252 935 I HA -0.057 4.114 4.170 0.001 0.000 0.245 935 I C 2.953 178.984 176.117 -0.144 0.000 1.102 935 I CA 1.256 62.460 61.300 -0.160 0.000 1.385 935 I CB -0.827 37.063 38.000 -0.183 0.000 1.064 935 I HN 0.296 nan 8.210 nan 0.000 0.414 936 G N 1.485 110.178 108.800 -0.178 0.000 2.421 936 G HA2 -0.175 3.786 3.960 0.001 0.000 0.216 936 G HA3 -0.175 3.786 3.960 0.001 0.000 0.216 936 G C 1.702 176.534 174.900 -0.114 0.000 1.171 936 G CA 0.608 45.626 45.100 -0.137 0.000 0.775 936 G HN 0.264 nan 8.290 nan 0.000 0.543 937 L N 1.508 122.639 121.223 -0.154 0.000 2.017 937 L HA -0.096 4.244 4.340 0.001 0.000 0.208 937 L C 3.264 180.075 176.870 -0.099 0.000 1.073 937 L CA 1.668 56.399 54.840 -0.181 0.000 0.745 937 L CB -0.718 41.175 42.059 -0.277 0.000 0.894 937 L HN 0.402 nan 8.230 nan 0.000 0.432 938 S N 0.081 115.738 115.700 -0.073 0.000 2.423 938 S HA -0.056 4.414 4.470 0.001 0.000 0.231 938 S C 2.094 176.686 174.600 -0.012 0.000 1.014 938 S CA 0.670 58.856 58.200 -0.023 0.000 0.965 938 S CB -0.322 62.870 63.200 -0.013 0.000 0.785 938 S HN 0.351 nan 8.310 nan 0.000 0.495 939 A N 2.365 125.164 122.820 -0.036 0.000 1.897 939 A HA 0.057 4.378 4.320 0.001 0.000 0.215 939 A C 2.204 179.778 177.584 -0.015 0.000 1.181 939 A CA 1.331 53.354 52.037 -0.024 0.000 0.620 939 A CB -0.611 18.367 19.000 -0.036 0.000 0.821 939 A HN 0.509 nan 8.150 nan 0.000 0.443 940 K N -0.097 120.286 120.400 -0.027 0.000 2.009 940 K HA -0.224 4.097 4.320 0.001 0.000 0.210 940 K C 1.693 178.288 176.600 -0.008 0.000 1.049 940 K CA 1.749 58.026 56.287 -0.018 0.000 0.929 940 K CB -0.322 32.151 32.500 -0.044 0.000 0.714 940 K HN 0.381 nan 8.250 nan 0.000 0.440 941 N N 0.733 119.426 118.700 -0.011 0.000 2.069 941 N HA -0.166 4.574 4.740 0.001 0.000 0.191 941 N C 1.703 177.218 175.510 0.009 0.000 1.031 941 N CA 1.573 54.624 53.050 0.002 0.000 0.852 941 N CB -0.419 38.078 38.487 0.017 0.000 1.018 941 N HN 0.342 nan 8.380 nan 0.000 0.423 942 A N 0.981 123.812 122.820 0.019 0.000 1.898 942 A HA -0.023 4.297 4.320 0.001 0.000 0.216 942 A C 2.381 179.948 177.584 -0.029 0.000 1.181 942 A CA 0.788 52.837 52.037 0.021 0.000 0.620 942 A CB -0.652 18.381 19.000 0.055 0.000 0.819 942 A HN 0.217 nan 8.150 nan 0.000 0.442 943 I N -0.293 120.255 120.570 -0.035 0.000 2.194 943 I HA -0.309 3.861 4.170 0.001 0.000 0.246 943 I C 2.387 178.488 176.117 -0.026 0.000 1.093 943 I CA 1.296 62.551 61.300 -0.075 0.000 1.355 943 I CB -0.350 37.641 38.000 -0.016 0.000 1.046 943 I HN 0.296 nan 8.210 nan 0.000 0.413 944 L N 0.133 121.376 121.223 0.033 0.000 2.079 944 L HA -0.255 4.086 4.340 0.001 0.000 0.210 944 L C 2.400 179.328 176.870 0.096 0.000 1.081 944 L CA 1.551 56.455 54.840 0.106 0.000 0.752 944 L CB -0.351 41.734 42.059 0.042 0.000 0.896 944 L HN 0.251 nan 8.230 nan 0.000 0.433 945 I N -1.731 118.830 120.570 -0.013 0.000 2.235 945 I HA -0.201 3.969 4.170 0.001 0.000 0.241 945 I C 2.332 178.355 176.117 -0.158 0.000 1.085 945 I CA 0.762 62.015 61.300 -0.079 0.000 1.378 945 I CB -0.236 37.704 38.000 -0.101 0.000 1.076 945 I HN -0.059 nan 8.210 nan 0.000 0.415 946 V N 1.131 120.901 119.914 -0.240 0.000 2.358 946 V HA -0.265 3.856 4.120 0.001 0.000 0.246 946 V C 2.526 178.379 176.094 -0.401 0.000 1.047 946 V CA 2.171 64.187 62.300 -0.473 0.000 1.035 946 V CB -0.740 30.876 31.823 -0.345 0.000 0.658 946 V HN 0.493 nan 8.190 nan 0.000 0.452 947 E N 0.837 120.858 120.200 -0.299 0.000 2.049 947 E HA -0.274 4.076 4.350 0.001 0.000 0.198 947 E C 1.845 178.305 176.600 -0.234 0.000 1.007 947 E CA 2.191 58.404 56.400 -0.312 0.000 0.809 947 E CB -0.572 28.964 29.700 -0.274 0.000 0.749 947 E HN 0.538 nan 8.360 nan 0.000 0.450 948 F N 0.397 120.252 119.950 -0.159 0.000 2.234 948 F HA 0.086 4.613 4.527 0.000 0.000 0.299 948 F C 2.384 178.104 175.800 -0.134 0.000 1.087 948 F CA 0.938 58.872 58.000 -0.110 0.000 1.340 948 F CB -0.582 38.364 39.000 -0.091 0.000 1.031 948 F HN 0.202 nan 8.300 nan 0.000 0.500 949 A N 0.228 123.002 122.820 -0.077 0.000 1.873 949 A HA -0.237 4.083 4.320 0.001 0.000 0.215 949 A C 2.155 179.702 177.584 -0.061 0.000 1.186 949 A CA 1.962 53.887 52.037 -0.186 0.000 0.616 949 A CB -0.698 17.916 19.000 -0.643 0.000 0.823 949 A HN 0.290 nan 8.150 nan 0.000 0.442 950 K N 0.118 120.466 120.400 -0.087 0.000 2.063 950 K HA -0.196 4.125 4.320 0.001 0.000 0.208 950 K C 1.261 177.896 176.600 0.057 0.000 1.048 950 K CA 2.110 58.447 56.287 0.084 0.000 0.928 950 K CB -0.387 32.145 32.500 0.054 0.000 0.713 950 K HN 0.372 nan 8.250 nan 0.000 0.442 951 D N 0.064 120.462 120.400 -0.004 0.000 2.178 951 D HA -0.077 4.563 4.640 0.001 0.000 0.202 951 D C 1.680 177.998 176.300 0.030 0.000 0.974 951 D CA 1.037 55.034 54.000 -0.005 0.000 0.841 951 D CB 0.045 40.793 40.800 -0.086 0.000 0.953 951 D HN 0.227 nan 8.370 nan 0.000 0.478 952 L N -0.310 120.943 121.223 0.051 0.000 2.240 952 L HA 0.063 4.403 4.340 0.001 0.000 0.211 952 L C 2.262 179.171 176.870 0.066 0.000 1.106 952 L CA 0.408 55.286 54.840 0.063 0.000 0.793 952 L CB -0.179 41.924 42.059 0.073 0.000 0.927 952 L HN 0.053 nan 8.230 nan 0.000 0.446 953 M N -0.507 119.143 119.600 0.084 0.000 2.288 953 M HA -0.139 4.341 4.480 0.001 0.000 0.266 953 M C 1.157 177.507 176.300 0.083 0.000 1.072 953 M CA 1.561 56.921 55.300 0.100 0.000 1.132 953 M CB 0.139 32.834 32.600 0.158 0.000 1.386 953 M HN 0.188 nan 8.290 nan 0.000 0.432 954 D N -0.230 120.215 120.400 0.076 0.000 2.652 954 D HA 0.010 4.650 4.640 0.001 0.000 0.261 954 D C 1.330 177.658 176.300 0.047 0.000 1.024 954 D CA 0.968 55.007 54.000 0.064 0.000 0.958 954 D CB -0.132 40.710 40.800 0.070 0.000 1.113 954 D HN 0.274 nan 8.370 nan 0.000 0.471 955 K N 0.585 121.009 120.400 0.041 0.000 2.444 955 K HA 0.117 4.438 4.320 0.001 0.000 0.193 955 K C 0.830 177.450 176.600 0.033 0.000 1.024 955 K CA 0.518 56.824 56.287 0.031 0.000 1.077 955 K CB 0.737 33.251 32.500 0.023 0.000 0.833 955 K HN 0.117 nan 8.250 nan 0.000 0.517 956 E N -0.590 119.633 120.200 0.039 0.000 2.571 956 E HA 0.064 4.415 4.350 0.001 0.000 0.222 956 E C 0.707 177.329 176.600 0.037 0.000 0.904 956 E CA 0.331 56.754 56.400 0.039 0.000 1.157 956 E CB 1.387 31.114 29.700 0.045 0.000 1.158 956 E HN 0.335 nan 8.360 nan 0.000 0.540 957 G N 2.777 111.601 108.800 0.041 0.000 2.160 957 G HA2 -0.305 3.655 3.960 0.001 0.000 0.251 957 G HA3 -0.305 3.655 3.960 0.001 0.000 0.251 957 G C 0.197 175.121 174.900 0.041 0.000 1.008 957 G CA 0.716 45.839 45.100 0.039 0.000 0.724 957 G HN 0.093 nan 8.290 nan 0.000 0.514 958 K N 0.337 120.766 120.400 0.048 0.000 2.276 958 K HA 0.525 4.845 4.320 0.001 0.000 0.259 958 K C 1.472 178.104 176.600 0.053 0.000 1.001 958 K CA 0.685 57.001 56.287 0.047 0.000 0.927 958 K CB 0.363 32.893 32.500 0.050 0.000 0.969 958 K HN 0.413 nan 8.250 nan 0.000 0.490 959 G N 0.747 109.574 108.800 0.045 0.000 2.651 959 G HA2 0.070 4.030 3.960 0.001 0.000 0.260 959 G HA3 0.070 4.030 3.960 0.001 0.000 0.260 959 G C 0.658 175.598 174.900 0.067 0.000 1.216 959 G CA -0.458 44.669 45.100 0.045 0.000 0.913 959 G HN 0.566 nan 8.290 nan 0.000 0.535 960 L N 0.577 121.837 121.223 0.061 0.000 1.989 960 L HA -0.104 4.236 4.340 0.001 0.000 0.211 960 L C 2.554 179.485 176.870 0.101 0.000 1.071 960 L CA 1.920 56.809 54.840 0.082 0.000 0.749 960 L CB -0.586 41.488 42.059 0.025 0.000 0.890 960 L HN 0.556 nan 8.230 nan 0.000 0.431 961 I N -0.407 120.195 120.570 0.054 0.000 2.233 961 I HA -0.191 3.979 4.170 0.001 0.000 0.243 961 I C 2.391 178.527 176.117 0.031 0.000 1.093 961 I CA 1.317 62.640 61.300 0.037 0.000 1.380 961 I CB -0.875 37.130 38.000 0.008 0.000 1.067 961 I HN 0.264 nan 8.210 nan 0.000 0.413 962 E N 1.255 121.471 120.200 0.028 0.000 2.058 962 E HA -0.234 4.116 4.350 0.001 0.000 0.194 962 E C 2.402 179.017 176.600 0.024 0.000 0.997 962 E CA 1.441 57.851 56.400 0.016 0.000 0.801 962 E CB -0.349 29.361 29.700 0.017 0.000 0.746 962 E HN 0.558 nan 8.360 nan 0.000 0.450 963 A N 1.328 124.180 122.820 0.053 0.000 1.972 963 A HA -0.184 4.136 4.320 0.001 0.000 0.219 963 A C 2.457 180.059 177.584 0.030 0.000 1.169 963 A CA 2.074 54.146 52.037 0.057 0.000 0.635 963 A CB -0.959 18.099 19.000 0.097 0.000 0.810 963 A HN 0.418 nan 8.150 nan 0.000 0.446 964 T N -1.452 113.128 114.554 0.043 0.000 2.812 964 T HA -0.033 4.318 4.350 0.001 0.000 0.264 964 T C 1.866 176.539 174.700 -0.044 0.000 1.042 964 T CA 1.299 63.395 62.100 -0.006 0.000 1.140 964 T CB -0.571 68.334 68.868 0.062 0.000 0.870 964 T HN 0.280 nan 8.240 nan 0.000 0.445 965 L N 0.945 122.146 121.223 -0.037 0.000 2.046 965 L HA -0.066 4.275 4.340 0.001 0.000 0.208 965 L C 2.802 179.629 176.870 -0.070 0.000 1.077 965 L CA 1.693 56.493 54.840 -0.065 0.000 0.747 965 L CB -0.696 41.324 42.059 -0.064 0.000 0.896 965 L HN 0.221 nan 8.230 nan 0.000 0.432 966 D N -0.155 120.217 120.400 -0.046 0.000 2.149 966 D HA -0.158 4.483 4.640 0.001 0.000 0.198 966 D C 2.099 178.367 176.300 -0.052 0.000 0.990 966 D CA 1.431 55.408 54.000 -0.039 0.000 0.839 966 D CB 0.138 40.935 40.800 -0.006 0.000 0.948 966 D HN 0.304 nan 8.370 nan 0.000 0.460 967 A N -0.253 122.534 122.820 -0.054 0.000 1.855 967 A HA -0.063 4.258 4.320 0.001 0.000 0.213 967 A C 2.494 179.989 177.584 -0.148 0.000 1.195 967 A CA 1.089 53.072 52.037 -0.090 0.000 0.610 967 A CB -0.829 18.148 19.000 -0.037 0.000 0.837 967 A HN 0.127 nan 8.150 nan 0.000 0.444 968 V N 0.566 120.405 119.914 -0.125 0.000 2.380 968 V HA -0.293 3.827 4.120 0.001 0.000 0.251 968 V C 2.678 178.698 176.094 -0.122 0.000 1.063 968 V CA 2.437 64.659 62.300 -0.131 0.000 1.055 968 V CB -0.832 30.913 31.823 -0.130 0.000 0.657 968 V HN 0.574 nan 8.190 nan 0.000 0.455 969 R N 0.411 120.844 120.500 -0.113 0.000 2.089 969 R HA -0.143 4.198 4.340 0.001 0.000 0.222 969 R C 2.428 178.678 176.300 -0.084 0.000 1.151 969 R CA 2.242 58.282 56.100 -0.099 0.000 0.908 969 R CB -0.528 29.706 30.300 -0.111 0.000 0.813 969 R HN 0.626 nan 8.270 nan 0.000 0.440 970 M N -0.252 119.297 119.600 -0.084 0.000 2.706 970 M HA -0.024 4.456 4.480 0.001 0.000 0.251 970 M C 1.238 177.464 176.300 -0.122 0.000 1.070 970 M CA 1.603 56.863 55.300 -0.067 0.000 1.073 970 M CB 0.148 32.718 32.600 -0.050 0.000 1.449 970 M HN 0.019 nan 8.290 nan 0.000 0.531 971 R N 0.691 121.083 120.500 -0.181 0.000 2.563 971 R HA 0.182 4.522 4.340 0.001 0.000 0.443 971 R C 1.083 177.282 176.300 -0.168 0.000 0.956 971 R CA -0.079 55.865 56.100 -0.260 0.000 1.141 971 R CB 0.362 30.311 30.300 -0.585 0.000 1.553 971 R HN 0.483 nan 8.270 nan 0.000 0.577 972 L N 1.099 122.272 121.223 -0.084 0.000 2.109 972 L HA -0.077 4.263 4.340 0.001 0.000 0.207 972 L C 2.087 178.995 176.870 0.063 0.000 1.086 972 L CA 1.770 56.593 54.840 -0.027 0.000 0.760 972 L CB -0.481 41.558 42.059 -0.033 0.000 0.910 972 L HN 0.266 nan 8.230 nan 0.000 0.437 973 R N 0.867 121.451 120.500 0.141 0.000 2.080 973 R HA -0.120 4.221 4.340 0.001 0.000 0.236 973 R C -0.468 175.783 176.300 -0.080 0.000 1.137 973 R CA 2.209 58.445 56.100 0.226 0.000 0.943 973 R CB -1.288 29.203 30.300 0.319 0.000 0.846 973 R HN 0.304 nan 8.270 nan 0.000 0.431 974 P HA -0.140 nan 4.420 nan 0.000 0.218 974 P C 1.331 178.545 177.300 -0.144 0.000 1.149 974 P CA 1.376 64.368 63.100 -0.179 0.000 0.817 974 P CB -0.129 31.493 31.700 -0.130 0.000 0.785 975 I N -1.066 119.451 120.570 -0.088 0.000 2.208 975 I HA -0.256 3.914 4.170 0.001 0.000 0.245 975 I C 2.312 178.409 176.117 -0.034 0.000 1.097 975 I CA 1.300 62.571 61.300 -0.049 0.000 1.363 975 I CB -0.693 37.290 38.000 -0.028 0.000 1.051 975 I HN -0.111 nan 8.210 nan 0.000 0.413 976 L N -0.587 120.621 121.223 -0.025 0.000 2.109 976 L HA -0.103 4.237 4.340 0.001 0.000 0.207 976 L C 2.338 179.115 176.870 -0.156 0.000 1.086 976 L CA 1.630 56.474 54.840 0.008 0.000 0.760 976 L CB -0.528 41.633 42.059 0.170 0.000 0.910 976 L HN 0.232 nan 8.230 nan 0.000 0.437 977 M N -1.774 117.557 119.600 -0.448 0.000 2.557 977 M HA -0.127 4.353 4.480 0.001 0.000 0.259 977 M C 1.424 177.551 176.300 -0.289 0.000 1.086 977 M CA 1.030 55.918 55.300 -0.687 0.000 1.096 977 M CB -0.076 31.937 32.600 -0.978 0.000 1.424 977 M HN 0.243 nan 8.290 nan 0.000 0.488 978 T N -1.014 113.445 114.554 -0.158 0.000 2.988 978 T HA 0.051 4.401 4.350 0.001 0.000 0.240 978 T C 1.715 176.426 174.700 0.019 0.000 1.014 978 T CA 1.086 63.151 62.100 -0.058 0.000 1.155 978 T CB 0.134 68.972 68.868 -0.049 0.000 0.872 978 T HN 0.325 nan 8.240 nan 0.000 0.440 979 S N 1.874 117.590 115.700 0.026 0.000 2.382 979 S HA -0.000 4.470 4.470 0.001 0.000 0.228 979 S C 1.956 176.645 174.600 0.148 0.000 1.027 979 S CA 0.764 59.020 58.200 0.093 0.000 0.991 979 S CB -0.426 62.820 63.200 0.076 0.000 0.823 979 S HN 0.130 nan 8.310 nan 0.000 0.469 980 L N 1.608 122.891 121.223 0.100 0.000 2.046 980 L HA -0.055 4.285 4.340 0.001 0.000 0.208 980 L C 2.575 179.504 176.870 0.099 0.000 1.077 980 L CA 1.543 56.448 54.840 0.109 0.000 0.747 980 L CB -0.882 41.249 42.059 0.121 0.000 0.896 980 L HN 0.310 nan 8.230 nan 0.000 0.432 981 A N -1.307 121.561 122.820 0.079 0.000 1.940 981 A HA -0.285 4.035 4.320 0.001 0.000 0.219 981 A C 2.247 179.900 177.584 0.115 0.000 1.176 981 A CA 1.880 53.963 52.037 0.077 0.000 0.631 981 A CB -0.935 18.098 19.000 0.054 0.000 0.814 981 A HN 0.437 nan 8.150 nan 0.000 0.446 982 F N 0.395 120.356 119.950 0.018 0.000 2.128 982 F HA -0.057 4.470 4.527 0.000 0.000 0.295 982 F C 1.944 177.763 175.800 0.031 0.000 1.100 982 F CA 1.508 59.523 58.000 0.025 0.000 1.260 982 F CB -0.236 38.780 39.000 0.026 0.000 1.009 982 F HN 0.160 nan 8.300 nan 0.000 0.476 983 I N 0.257 120.884 120.570 0.094 0.000 2.163 983 I HA -0.327 3.843 4.170 0.001 0.000 0.243 983 I C 2.049 178.121 176.117 -0.076 0.000 1.085 983 I CA 1.478 62.781 61.300 0.004 0.000 1.347 983 I CB -0.537 37.522 38.000 0.097 0.000 1.044 983 I HN 0.149 nan 8.210 nan 0.000 0.408 984 L N 0.062 121.267 121.223 -0.030 0.000 2.558 984 L HA 0.090 4.430 4.340 0.001 0.000 0.225 984 L C 2.322 179.157 176.870 -0.058 0.000 1.128 984 L CA 0.436 55.260 54.840 -0.026 0.000 0.868 984 L CB -0.488 41.582 42.059 0.019 0.000 1.006 984 L HN 0.261 nan 8.230 nan 0.000 0.454 985 G N -0.785 107.945 108.800 -0.117 0.000 2.453 985 G HA2 -0.084 3.877 3.960 0.001 0.000 0.215 985 G HA3 -0.084 3.877 3.960 0.001 0.000 0.215 985 G C 1.380 176.159 174.900 -0.203 0.000 1.147 985 G CA 0.292 45.312 45.100 -0.135 0.000 0.802 985 G HN 0.157 nan 8.290 nan 0.000 0.535 986 V N 1.038 120.752 119.914 -0.334 0.000 3.406 986 V HA 0.100 4.220 4.120 0.001 0.000 0.263 986 V C 2.450 178.441 176.094 -0.171 0.000 1.172 986 V CA 0.630 62.740 62.300 -0.316 0.000 1.140 986 V CB 0.153 31.656 31.823 -0.533 0.000 0.784 986 V HN 0.379 nan 8.190 nan 0.000 0.467 987 M N 0.896 120.421 119.600 -0.125 0.000 2.082 987 M HA -0.157 4.324 4.480 0.001 0.000 0.258 987 M C -0.368 175.901 176.300 -0.052 0.000 1.069 987 M CA 2.518 57.778 55.300 -0.066 0.000 1.102 987 M CB -1.053 31.525 32.600 -0.037 0.000 1.336 987 M HN 0.263 nan 8.290 nan 0.000 0.404 988 P HA -0.130 nan 4.420 nan 0.000 0.218 988 P C 1.546 178.818 177.300 -0.046 0.000 1.148 988 P CA 1.220 64.296 63.100 -0.040 0.000 0.822 988 P CB -0.217 31.461 31.700 -0.037 0.000 0.784 989 L N -1.225 119.959 121.223 -0.066 0.000 2.017 989 L HA -0.160 4.181 4.340 0.001 0.000 0.208 989 L C 2.347 179.171 176.870 -0.078 0.000 1.073 989 L CA 1.432 56.219 54.840 -0.087 0.000 0.745 989 L CB -1.135 40.845 42.059 -0.131 0.000 0.894 989 L HN -0.120 nan 8.230 nan 0.000 0.432 990 V N -0.604 119.273 119.914 -0.062 0.000 2.343 990 V HA -0.174 3.946 4.120 0.001 0.000 0.247 990 V C 1.264 177.347 176.094 -0.018 0.000 1.051 990 V CA 1.004 63.282 62.300 -0.037 0.000 1.036 990 V CB -0.118 31.690 31.823 -0.024 0.000 0.654 990 V HN 0.248 nan 8.190 nan 0.000 0.451 991 I N 1.351 121.912 120.570 -0.016 0.000 2.361 991 I HA 0.356 4.527 4.170 0.001 0.000 0.282 991 I C -0.139 175.974 176.117 -0.007 0.000 1.075 991 I CA 0.482 61.780 61.300 -0.003 0.000 1.205 991 I CB 0.771 38.774 38.000 0.004 0.000 1.406 991 I HN 0.182 nan 8.210 nan 0.000 0.481 992 S N 4.620 120.317 115.700 -0.005 0.000 2.594 992 S HA 0.384 4.855 4.470 0.001 0.000 0.322 992 S C 0.603 175.207 174.600 0.008 0.000 1.085 992 S CA -0.431 57.765 58.200 -0.007 0.000 1.116 992 S CB 0.427 63.618 63.200 -0.015 0.000 0.979 992 S HN 0.610 nan 8.310 nan 0.000 0.465 993 T N 3.306 117.865 114.554 0.008 0.000 3.330 993 T HA 0.426 4.776 4.350 0.001 0.000 0.249 993 T C 0.597 175.311 174.700 0.022 0.000 0.980 993 T CA -0.250 61.863 62.100 0.023 0.000 0.920 993 T CB -0.032 68.850 68.868 0.025 0.000 1.065 993 T HN 0.653 nan 8.240 nan 0.000 0.588 994 G N 0.214 109.017 108.800 0.006 0.000 2.680 994 G HA2 0.672 4.633 3.960 0.001 0.000 0.290 994 G HA3 0.672 4.633 3.960 0.001 0.000 0.290 994 G C -0.956 173.922 174.900 -0.035 0.000 1.355 994 G CA -0.953 44.135 45.100 -0.021 0.000 0.903 994 G HN 0.371 nan 8.290 nan 0.000 0.474 995 A N -1.019 121.724 122.820 -0.128 0.000 2.477 995 A HA 0.574 4.894 4.320 0.001 0.000 0.246 995 A C 1.423 178.939 177.584 -0.114 0.000 1.078 995 A CA 1.174 53.107 52.037 -0.173 0.000 0.770 995 A CB -0.093 18.520 19.000 -0.646 0.000 1.011 995 A HN 2.674 nan 8.150 nan 0.000 0.494 996 G N 1.143 109.998 108.800 0.092 0.000 2.132 996 G HA2 -0.216 3.745 3.960 0.001 0.000 0.234 996 G HA3 -0.216 3.745 3.960 0.001 0.000 0.234 996 G C 1.057 176.029 174.900 0.119 0.000 0.989 996 G CA 1.080 46.266 45.100 0.143 0.000 0.676 996 G HN 2.019 nan 8.290 nan 0.000 0.522 997 S N -0.559 115.193 115.700 0.087 0.000 2.428 997 S HA 0.171 4.641 4.470 0.001 0.000 0.230 997 S C 2.507 177.136 174.600 0.049 0.000 1.014 997 S CA 1.458 59.686 58.200 0.048 0.000 0.957 997 S CB -0.435 62.791 63.200 0.042 0.000 0.784 997 S HN 1.552 nan 8.310 nan 0.000 0.499 998 G N 1.878 110.740 108.800 0.104 0.000 2.491 998 G HA2 -0.056 3.905 3.960 0.001 0.000 0.218 998 G HA3 -0.056 3.905 3.960 0.001 0.000 0.218 998 G C 1.702 176.663 174.900 0.101 0.000 1.180 998 G CA 1.064 46.234 45.100 0.117 0.000 0.774 998 G HN 0.796 nan 8.290 nan 0.000 0.562 999 A N 0.170 123.066 122.820 0.126 0.000 1.877 999 A HA -0.068 4.253 4.320 0.001 0.000 0.216 999 A C 2.360 179.627 177.584 -0.529 0.000 1.186 999 A CA 1.929 53.936 52.037 -0.049 0.000 0.620 999 A CB -0.523 18.607 19.000 0.215 0.000 0.822 999 A HN 0.444 nan 8.150 nan 0.000 0.443 1000 Q N -0.173 119.406 119.800 -0.369 0.000 2.077 1000 Q HA -0.220 4.120 4.340 0.001 0.000 0.206 1000 Q C 1.981 177.791 176.000 -0.317 0.000 0.989 1000 Q CA 1.770 57.305 55.803 -0.446 0.000 0.853 1000 Q CB -0.419 28.232 28.738 -0.145 0.000 0.907 1000 Q HN 0.774 nan 8.270 nan 0.000 0.418 1001 N N 0.210 118.815 118.700 -0.159 0.000 2.120 1001 N HA -0.151 4.589 4.740 0.001 0.000 0.188 1001 N C 1.812 177.280 175.510 -0.070 0.000 1.024 1001 N CA 0.833 53.834 53.050 -0.083 0.000 0.852 1001 N CB -0.096 38.378 38.487 -0.022 0.000 1.003 1001 N HN 0.196 nan 8.380 nan 0.000 0.424 1002 A N 0.903 123.682 122.820 -0.068 0.000 1.930 1002 A HA -0.044 4.276 4.320 0.001 0.000 0.217 1002 A C 2.433 180.017 177.584 0.000 0.000 1.175 1002 A CA 0.932 52.992 52.037 0.038 0.000 0.627 1002 A CB -0.506 18.623 19.000 0.215 0.000 0.815 1002 A HN 0.075 nan 8.150 nan 0.000 0.443 1003 V N -0.168 119.580 119.914 -0.276 0.000 2.270 1003 V HA -0.125 3.995 4.120 0.001 0.000 0.245 1003 V C 2.800 178.824 176.094 -0.116 0.000 1.043 1003 V CA 1.958 64.099 62.300 -0.265 0.000 1.014 1003 V CB -1.526 29.942 31.823 -0.590 0.000 0.645 1003 V HN 0.560 nan 8.190 nan 0.000 0.447 1004 G N -0.328 108.382 108.800 -0.149 0.000 2.464 1004 G HA2 -0.217 3.743 3.960 0.001 0.000 0.214 1004 G HA3 -0.217 3.743 3.960 0.001 0.000 0.214 1004 G C 1.680 176.575 174.900 -0.009 0.000 1.218 1004 G CA 1.480 46.528 45.100 -0.087 0.000 0.794 1004 G HN 0.422 nan 8.290 nan 0.000 0.542 1005 T N 1.196 115.755 114.554 0.010 0.000 2.565 1005 T HA -0.197 4.153 4.350 0.001 0.000 0.265 1005 T C 2.426 177.194 174.700 0.113 0.000 1.082 1005 T CA 2.099 64.231 62.100 0.053 0.000 1.173 1005 T CB -1.026 67.872 68.868 0.050 0.000 0.864 1005 T HN 0.400 nan 8.240 nan 0.000 0.425 1006 G N 0.427 109.344 108.800 0.196 0.000 2.514 1006 G HA2 -0.225 3.735 3.960 0.001 0.000 0.217 1006 G HA3 -0.225 3.735 3.960 0.001 0.000 0.217 1006 G C 1.743 176.739 174.900 0.159 0.000 1.198 1006 G CA 1.031 46.314 45.100 0.305 0.000 0.780 1006 G HN 0.444 nan 8.290 nan 0.000 0.565 1007 V N 0.760 120.749 119.914 0.124 0.000 2.343 1007 V HA -0.114 4.006 4.120 0.001 0.000 0.247 1007 V C 2.662 178.905 176.094 0.249 0.000 1.051 1007 V CA 2.339 64.743 62.300 0.174 0.000 1.036 1007 V CB -0.127 31.844 31.823 0.247 0.000 0.654 1007 V HN 0.469 nan 8.190 nan 0.000 0.451 1008 M N -0.165 119.530 119.600 0.158 0.000 2.117 1008 M HA -0.109 4.371 4.480 0.001 0.000 0.262 1008 M C 1.959 178.335 176.300 0.127 0.000 1.065 1008 M CA 2.345 57.719 55.300 0.122 0.000 1.114 1008 M CB -0.780 31.833 32.600 0.021 0.000 1.361 1008 M HN 0.455 nan 8.290 nan 0.000 0.408 1009 G N -1.214 107.649 108.800 0.105 0.000 2.430 1009 G HA2 -0.063 3.897 3.960 0.001 0.000 0.216 1009 G HA3 -0.063 3.897 3.960 0.001 0.000 0.216 1009 G C 1.384 176.341 174.900 0.095 0.000 1.146 1009 G CA 0.707 45.859 45.100 0.087 0.000 0.793 1009 G HN 0.598 nan 8.290 nan 0.000 0.537 1010 G N 0.707 109.571 108.800 0.106 0.000 2.408 1010 G HA2 -0.170 3.791 3.960 0.001 0.000 0.217 1010 G HA3 -0.170 3.791 3.960 0.001 0.000 0.217 1010 G C 1.700 176.646 174.900 0.077 0.000 1.150 1010 G CA 1.324 46.469 45.100 0.075 0.000 0.776 1010 G HN 0.378 nan 8.290 nan 0.000 0.542 1011 M N 0.549 120.226 119.600 0.127 0.000 2.099 1011 M HA 0.078 4.559 4.480 0.001 0.000 0.262 1011 M C 2.528 178.901 176.300 0.121 0.000 1.067 1011 M CA 1.049 56.425 55.300 0.126 0.000 1.124 1011 M CB -0.558 32.205 32.600 0.272 0.000 1.353 1011 M HN 0.005 nan 8.290 nan 0.000 0.410 1012 V N 0.482 120.472 119.914 0.126 0.000 2.233 1012 V HA -0.392 3.729 4.120 0.001 0.000 0.252 1012 V C 2.483 178.643 176.094 0.110 0.000 1.063 1012 V CA 2.668 65.035 62.300 0.111 0.000 1.032 1012 V CB -1.695 30.179 31.823 0.086 0.000 0.645 1012 V HN 0.781 nan 8.190 nan 0.000 0.446 1013 T N -1.513 113.099 114.554 0.097 0.000 2.951 1013 T HA -0.012 4.338 4.350 0.001 0.000 0.268 1013 T C 1.725 176.497 174.700 0.120 0.000 1.073 1013 T CA 1.164 63.327 62.100 0.106 0.000 1.134 1013 T CB -0.376 68.542 68.868 0.083 0.000 0.884 1013 T HN 0.499 nan 8.240 nan 0.000 0.479 1014 A N 1.583 124.461 122.820 0.097 0.000 2.209 1014 A HA 0.132 4.452 4.320 0.001 0.000 0.212 1014 A C 2.496 180.141 177.584 0.101 0.000 1.158 1014 A CA 1.519 53.609 52.037 0.089 0.000 0.742 1014 A CB -0.839 18.187 19.000 0.042 0.000 0.790 1014 A HN 0.715 nan 8.150 nan 0.000 0.472 1015 T N -5.017 109.607 114.554 0.116 0.000 3.026 1015 T HA 0.076 4.426 4.350 0.001 0.000 0.245 1015 T C 1.601 176.394 174.700 0.156 0.000 1.004 1015 T CA 1.026 63.196 62.100 0.117 0.000 1.069 1015 T CB -0.306 68.627 68.868 0.109 0.000 1.005 1015 T HN -0.032 nan 8.240 nan 0.000 0.472 1016 V N 1.548 121.579 119.914 0.194 0.000 2.346 1016 V HA 0.075 4.196 4.120 0.001 0.000 0.244 1016 V C 2.598 178.913 176.094 0.370 0.000 1.037 1016 V CA 1.135 63.596 62.300 0.269 0.000 1.029 1016 V CB -0.598 31.367 31.823 0.238 0.000 0.663 1016 V HN 0.301 nan 8.190 nan 0.000 0.454 1017 L N 0.330 121.749 121.223 0.325 0.000 2.109 1017 L HA 0.042 4.383 4.340 0.001 0.000 0.207 1017 L C 2.531 179.691 176.870 0.483 0.000 1.086 1017 L CA 2.013 57.120 54.840 0.444 0.000 0.760 1017 L CB -1.198 41.060 42.059 0.333 0.000 0.910 1017 L HN 0.273 nan 8.230 nan 0.000 0.437 1018 A N 0.277 123.277 122.820 0.299 0.000 1.898 1018 A HA -0.129 4.192 4.320 0.001 0.000 0.216 1018 A C 2.075 179.725 177.584 0.110 0.000 1.181 1018 A CA 1.517 53.693 52.037 0.231 0.000 0.620 1018 A CB -0.859 18.237 19.000 0.160 0.000 0.819 1018 A HN 0.505 nan 8.150 nan 0.000 0.442 1019 I N -4.827 115.742 120.570 -0.002 0.000 3.241 1019 I HA -0.004 4.166 4.170 0.001 0.000 0.280 1019 I C 1.508 177.333 176.117 -0.487 0.000 1.320 1019 I CA 1.126 62.288 61.300 -0.230 0.000 1.413 1019 I CB -0.364 37.471 38.000 -0.276 0.000 1.060 1019 I HN 0.196 nan 8.210 nan 0.000 0.500 1020 F N -0.480 119.413 119.950 -0.095 0.000 2.557 1020 F HA 0.282 4.809 4.527 0.001 0.000 0.278 1020 F C 1.792 177.350 175.800 -0.405 0.000 1.051 1020 F CA 0.220 58.053 58.000 -0.277 0.000 1.357 1020 F CB -0.220 38.583 39.000 -0.329 0.000 1.104 1020 F HN -0.154 nan 8.300 nan 0.000 0.654 1021 F N -0.285 119.612 119.950 -0.088 0.000 2.270 1021 F HA -0.063 4.464 4.527 0.001 0.000 0.295 1021 F C 2.200 177.504 175.800 -0.827 0.000 1.087 1021 F CA 0.644 58.358 58.000 -0.477 0.000 1.365 1021 F CB -0.458 38.318 39.000 -0.373 0.000 1.056 1021 F HN -0.319 nan 8.300 nan 0.000 0.506 1022 V N 1.783 121.609 119.914 -0.145 0.000 2.255 1022 V HA -0.245 3.875 4.120 0.001 0.000 0.247 1022 V C -0.421 175.667 176.094 -0.010 0.000 1.051 1022 V CA 2.170 64.491 62.300 0.036 0.000 1.018 1022 V CB -1.847 30.046 31.823 0.115 0.000 0.641 1022 V HN 0.166 nan 8.190 nan 0.000 0.445 1023 P HA -0.080 nan 4.420 nan 0.000 0.222 1023 P C 1.818 179.110 177.300 -0.013 0.000 1.147 1023 P CA 1.205 64.292 63.100 -0.022 0.000 0.790 1023 P CB -0.008 31.639 31.700 -0.089 0.000 0.780 1024 V N -0.639 119.172 119.914 -0.171 0.000 2.323 1024 V HA -0.185 3.935 4.120 0.001 0.000 0.244 1024 V C 2.474 178.549 176.094 -0.033 0.000 1.041 1024 V CA 1.604 63.802 62.300 -0.170 0.000 1.025 1024 V CB -1.400 30.242 31.823 -0.302 0.000 0.656 1024 V HN -0.027 nan 8.190 nan 0.000 0.451 1025 F N -0.755 119.231 119.950 0.060 0.000 2.091 1025 F HA -0.273 4.254 4.527 0.001 0.000 0.299 1025 F C 2.293 178.134 175.800 0.068 0.000 1.103 1025 F CA 2.063 60.079 58.000 0.026 0.000 1.228 1025 F CB -0.569 38.440 39.000 0.015 0.000 0.984 1025 F HN 0.178 nan 8.300 nan 0.000 0.477 1026 F N 0.867 120.904 119.950 0.145 0.000 2.075 1026 F HA -0.195 4.333 4.527 0.001 0.000 0.297 1026 F C 2.218 178.045 175.800 0.044 0.000 1.113 1026 F CA 1.365 59.406 58.000 0.069 0.000 1.218 1026 F CB -0.760 38.258 39.000 0.032 0.000 0.984 1026 F HN -0.290 nan 8.300 nan 0.000 0.472 1027 V N -0.479 119.455 119.914 0.034 0.000 2.427 1027 V HA -0.266 3.854 4.120 0.001 0.000 0.248 1027 V C 2.346 178.392 176.094 -0.080 0.000 1.051 1027 V CA 1.555 63.813 62.300 -0.070 0.000 1.048 1027 V CB -0.667 31.166 31.823 0.016 0.000 0.666 1027 V HN 0.276 nan 8.190 nan 0.000 0.456 1028 V N -0.432 119.469 119.914 -0.021 0.000 2.307 1028 V HA -0.185 3.935 4.120 0.001 0.000 0.245 1028 V C 2.399 178.474 176.094 -0.032 0.000 1.045 1028 V CA 1.797 64.092 62.300 -0.009 0.000 1.024 1028 V CB -0.354 31.490 31.823 0.036 0.000 0.651 1028 V HN 0.399 nan 8.190 nan 0.000 0.449 1029 V N -0.357 119.533 119.914 -0.041 0.000 2.427 1029 V HA -0.171 3.950 4.120 0.001 0.000 0.248 1029 V C 2.616 178.669 176.094 -0.069 0.000 1.051 1029 V CA 1.545 63.811 62.300 -0.056 0.000 1.048 1029 V CB -0.802 30.998 31.823 -0.037 0.000 0.666 1029 V HN 0.397 nan 8.190 nan 0.000 0.456 1030 R N 0.365 120.751 120.500 -0.189 0.000 2.249 1030 R HA -0.054 4.286 4.340 0.001 0.000 0.230 1030 R C 1.831 178.104 176.300 -0.045 0.000 1.121 1030 R CA 0.849 56.844 56.100 -0.176 0.000 0.997 1030 R CB -0.383 29.660 30.300 -0.430 0.000 0.867 1030 R HN 0.492 nan 8.270 nan 0.000 0.465 1031 R N -0.009 120.466 120.500 -0.042 0.000 2.423 1031 R HA 0.138 4.478 4.340 0.001 0.000 0.248 1031 R C 0.516 176.823 176.300 0.012 0.000 1.019 1031 R CA 0.194 56.287 56.100 -0.012 0.000 1.119 1031 R CB 0.345 30.634 30.300 -0.020 0.000 1.176 1031 R HN -0.036 nan 8.270 nan 0.000 0.526 1032 R N -0.615 119.913 120.500 0.048 0.000 2.517 1032 R HA 0.181 4.521 4.340 0.001 0.000 0.434 1032 R C -1.228 175.189 176.300 0.195 0.000 0.884 1032 R CA -0.159 55.987 56.100 0.076 0.000 1.090 1032 R CB 0.557 30.878 30.300 0.036 0.000 1.601 1032 R HN 0.013 nan 8.270 nan 0.000 0.579 1033 F N 0.000 119.951 119.950 0.002 0.000 2.286 1033 F HA 0.000 4.527 4.527 0.000 0.000 0.279 1033 F CA 0.000 58.022 58.000 0.036 0.000 1.383 1033 F CB 0.000 39.033 39.000 0.056 0.000 1.145 1033 F HN 0.000 nan 8.300 nan 0.000 0.574