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 1bx3_1_A DATA FIRST_RESID 13 DATA SEQUENCE ISVRGLAGVE NVTELKKNFN RHLHFTLVKD RNVATPRDYY FALAHTVRDH DATA SEQUENCE LVGRWIRTQQ HYYEKDPKRI YYLSLEFYMG RTLQNTMVNL ALENACDEAT DATA SEQUENCE YQLGLDMEEL EEIEEDAGLG NGGLGRLAAC FLDSMATLGL AAYGYGIRYE DATA SEQUENCE FGIFNQKICG GWQMEEADDW LRYGNPWEKA RPEFTLPVHF YGRVEHTSQG DATA SEQUENCE AKWVDTQVVL AMPYDTPVPG YRNNVVNTMR LWSAKAPXXX XXXXXXXXGY DATA SEQUENCE IQAVLDRNLA ENISRVLYPN DNFFEGKELR LKQEYFVVAA TLQDIIRRFK DATA SEQUENCE SXXXXXXXXX XXNFDAFPDK VAIQLNDTHP SLAIPELMRV LVDLERLDWD DATA SEQUENCE KAWEVTVKTC AYTNHTVIPE ALERWPVHLL ETLLPRHLQI IYEINQRFLN DATA SEQUENCE RVAAAFPGDV DRLRRMSLVE EGAVKRINMA HLCIAGSHAV NGVARIHSEI DATA SEQUENCE LKKTIFKDFY ELEPHKFQNK TNGITPRRWL VLCNPGLAEI IAERIGEEYI DATA SEQUENCE SDLDQLRKLL SYVDDEAFIR DVAKVKQENK LKFAAYLERE YKVHINPNSL DATA SEQUENCE FDVQVKRIHE YKRQLLNCLH VITLYNRIKK EPNKFVVPRT VMIGGKAAPG DATA SEQUENCE YHMAKMIIKL ITAIGDVVNH DPVVGDRLRV IFLENYRVSL AEKVIPAADL DATA SEQUENCE SEQISTAGTE ASGTGNMKFM LNGALTIGTM DGANVEMAEE AGEENFFIFG DATA SEQUENCE MRVEDVDRLD QRGYNAQEYY DRIPELRQII EQLSSGFFSP KQPDLFKDIV DATA SEQUENCE NMLMHHDRFK VFADYEEYVK CQERVSALYK NPREWTRMVI RNIATSGKFS DATA SEQUENCE SDRTIAQYAR EIWGVEPSRQ RLP 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 13 I HA 0.000 nan 4.170 nan 0.000 0.288 13 I C 0.000 176.121 176.117 0.007 0.000 1.063 13 I CA 0.000 61.303 61.300 0.004 0.000 1.566 13 I CB 0.000 38.005 38.000 0.008 0.000 1.214 14 S N 3.645 119.354 115.700 0.015 0.000 2.447 14 S HA -0.109 4.357 4.470 -0.008 0.000 0.233 14 S C 1.650 176.264 174.600 0.024 0.000 1.006 14 S CA 1.224 59.434 58.200 0.017 0.000 0.957 14 S CB -0.301 62.912 63.200 0.022 0.000 0.773 14 S HN 0.733 nan 8.310 nan 0.000 0.507 15 V N -0.728 119.207 119.914 0.036 0.000 3.217 15 V HA 0.192 4.307 4.120 -0.008 0.000 0.264 15 V C 2.179 178.294 176.094 0.035 0.000 1.135 15 V CA 0.814 63.140 62.300 0.043 0.000 1.142 15 V CB -1.046 30.810 31.823 0.055 0.000 0.754 15 V HN 0.383 nan 8.190 nan 0.000 0.484 16 R N 1.349 121.860 120.500 0.019 0.000 2.313 16 R HA 0.395 4.730 4.340 -0.008 0.000 0.199 16 R C 1.207 177.501 176.300 -0.010 0.000 0.958 16 R CA 0.640 56.743 56.100 0.006 0.000 1.047 16 R CB -0.106 30.193 30.300 -0.001 0.000 0.955 16 R HN 0.755 nan 8.270 nan 0.000 0.481 17 G N 0.876 109.670 108.800 -0.010 0.000 2.660 17 G HA2 -0.235 3.721 3.960 -0.008 0.000 0.247 17 G HA3 -0.235 3.721 3.960 -0.008 0.000 0.247 17 G C -0.616 174.270 174.900 -0.024 0.000 1.328 17 G CA -0.956 44.130 45.100 -0.024 0.000 0.884 17 G HN 0.092 nan 8.290 nan 0.000 0.531 18 L N -0.105 121.101 121.223 -0.029 0.000 2.379 18 L HA 0.704 5.039 4.340 -0.008 0.000 0.269 18 L C 0.995 177.849 176.870 -0.026 0.000 1.084 18 L CA -0.341 54.484 54.840 -0.024 0.000 0.802 18 L CB 1.815 43.861 42.059 -0.021 0.000 1.175 18 L HN 1.243 nan 8.230 nan 0.000 0.448 19 A N 1.700 124.507 122.820 -0.021 0.000 3.056 19 A HA 0.561 4.877 4.320 -0.008 0.000 0.328 19 A C 0.504 178.081 177.584 -0.010 0.000 1.233 19 A CA -0.428 51.598 52.037 -0.018 0.000 0.965 19 A CB -0.345 18.643 19.000 -0.020 0.000 1.123 19 A HN 0.799 nan 8.150 nan 0.000 0.502 20 G N 0.023 108.818 108.800 -0.008 0.000 2.484 20 G HA2 0.321 4.276 3.960 -0.008 0.000 0.235 20 G HA3 0.321 4.276 3.960 -0.008 0.000 0.235 20 G C 1.203 176.107 174.900 0.005 0.000 1.282 20 G CA 0.190 45.289 45.100 -0.001 0.000 0.857 20 G HN 1.283 nan 8.290 nan 0.000 0.571 21 V N 0.348 120.267 119.914 0.007 0.000 2.307 21 V HA -0.132 3.983 4.120 -0.008 0.000 0.245 21 V C 2.122 178.226 176.094 0.017 0.000 1.045 21 V CA 2.315 64.622 62.300 0.011 0.000 1.024 21 V CB -0.900 30.929 31.823 0.010 0.000 0.651 21 V HN 0.759 nan 8.190 nan 0.000 0.449 22 E N 0.970 121.180 120.200 0.018 0.000 2.072 22 E HA -0.202 4.143 4.350 -0.008 0.000 0.191 22 E C 2.239 178.861 176.600 0.036 0.000 0.985 22 E CA 1.424 57.839 56.400 0.025 0.000 0.801 22 E CB -0.345 29.369 29.700 0.023 0.000 0.750 22 E HN 0.670 nan 8.360 nan 0.000 0.452 23 N N 0.619 119.340 118.700 0.034 0.000 2.104 23 N HA -0.156 4.580 4.740 -0.008 0.000 0.190 23 N C 1.680 177.218 175.510 0.048 0.000 1.024 23 N CA 1.091 54.168 53.050 0.046 0.000 0.853 23 N CB -0.127 38.373 38.487 0.021 0.000 1.008 23 N HN -0.032 nan 8.380 nan 0.000 0.424 24 V N -0.268 119.664 119.914 0.030 0.000 2.427 24 V HA -0.152 3.963 4.120 -0.008 0.000 0.248 24 V C 2.198 178.313 176.094 0.035 0.000 1.051 24 V CA 1.895 64.211 62.300 0.027 0.000 1.048 24 V CB -0.884 30.949 31.823 0.017 0.000 0.666 24 V HN 0.387 nan 8.190 nan 0.000 0.456 25 T N -0.332 114.244 114.554 0.036 0.000 2.737 25 T HA -0.205 4.141 4.350 -0.008 0.000 0.265 25 T C 1.937 176.670 174.700 0.055 0.000 1.038 25 T CA 1.869 63.991 62.100 0.037 0.000 1.144 25 T CB -0.118 68.768 68.868 0.030 0.000 0.866 25 T HN 0.561 nan 8.240 nan 0.000 0.434 26 E N 0.858 121.098 120.200 0.067 0.000 2.106 26 E HA -0.021 4.325 4.350 -0.008 0.000 0.192 26 E C 2.033 178.708 176.600 0.124 0.000 0.984 26 E CA 0.903 57.355 56.400 0.087 0.000 0.806 26 E CB -0.486 29.270 29.700 0.093 0.000 0.750 26 E HN 0.434 nan 8.360 nan 0.000 0.458 27 L N 0.288 121.591 121.223 0.135 0.000 2.017 27 L HA -0.192 4.143 4.340 -0.008 0.000 0.208 27 L C 2.507 179.482 176.870 0.176 0.000 1.073 27 L CA 1.710 56.653 54.840 0.173 0.000 0.745 27 L CB -0.363 41.771 42.059 0.125 0.000 0.894 27 L HN 0.083 nan 8.230 nan 0.000 0.432 28 K N -0.013 120.449 120.400 0.103 0.000 2.057 28 K HA -0.242 4.074 4.320 -0.008 0.000 0.207 28 K C 2.122 178.821 176.600 0.166 0.000 1.049 28 K CA 1.456 57.794 56.287 0.086 0.000 0.931 28 K CB -0.147 32.361 32.500 0.012 0.000 0.714 28 K HN 0.186 nan 8.250 nan 0.000 0.440 29 K N 1.115 121.592 120.400 0.128 0.000 1.991 29 K HA -0.176 4.139 4.320 -0.008 0.000 0.212 29 K C 1.772 178.462 176.600 0.150 0.000 1.049 29 K CA 1.699 58.056 56.287 0.117 0.000 0.932 29 K CB -0.040 32.507 32.500 0.078 0.000 0.717 29 K HN 0.044 nan 8.250 nan 0.000 0.441 30 N N 0.107 118.904 118.700 0.161 0.000 2.309 30 N HA -0.150 4.585 4.740 -0.008 0.000 0.182 30 N C 1.585 177.261 175.510 0.277 0.000 1.018 30 N CA 0.926 54.070 53.050 0.157 0.000 0.876 30 N CB -0.263 38.324 38.487 0.166 0.000 0.972 30 N HN 0.239 nan 8.380 nan 0.000 0.434 31 F N 2.225 122.278 119.950 0.171 0.000 2.113 31 F HA -0.049 4.474 4.527 -0.007 0.000 0.297 31 F C 1.975 177.888 175.800 0.188 0.000 1.103 31 F CA 1.211 59.328 58.000 0.196 0.000 1.248 31 F CB -0.237 38.841 39.000 0.129 0.000 0.999 31 F HN -0.044 nan 8.300 nan 0.000 0.475 32 N N 0.592 119.536 118.700 0.408 0.000 2.188 32 N HA -0.180 4.556 4.740 -0.008 0.000 0.184 32 N C 2.075 177.676 175.510 0.151 0.000 1.018 32 N CA 1.135 54.342 53.050 0.263 0.000 0.858 32 N CB -0.513 38.102 38.487 0.214 0.000 0.989 32 N HN 0.375 nan 8.380 nan 0.000 0.426 33 R N 0.307 120.893 120.500 0.143 0.000 2.081 33 R HA -0.112 4.223 4.340 -0.008 0.000 0.235 33 R C 1.746 178.137 176.300 0.152 0.000 1.131 33 R CA 1.527 57.726 56.100 0.165 0.000 0.960 33 R CB -0.222 30.114 30.300 0.059 0.000 0.856 33 R HN 0.383 nan 8.270 nan 0.000 0.436 34 H N -0.503 118.625 119.070 0.097 0.000 2.423 34 H HA -0.096 4.455 4.556 -0.008 0.000 0.297 34 H C 1.848 177.145 175.328 -0.051 0.000 1.075 34 H CA 1.276 57.328 56.048 0.006 0.000 1.342 34 H CB 0.133 29.868 29.762 -0.044 0.000 1.395 34 H HN 0.129 nan 8.280 nan 0.000 0.530 35 L N -0.037 121.206 121.223 0.032 0.000 2.046 35 L HA -0.188 4.147 4.340 -0.008 0.000 0.208 35 L C 2.206 179.078 176.870 0.003 0.000 1.077 35 L CA 1.844 56.670 54.840 -0.024 0.000 0.747 35 L CB -0.436 41.618 42.059 -0.008 0.000 0.896 35 L HN 0.296 nan 8.230 nan 0.000 0.432 36 H N -1.543 117.465 119.070 -0.104 0.000 2.266 36 H HA -0.085 4.467 4.556 -0.008 0.000 0.308 36 H C 1.852 176.997 175.328 -0.303 0.000 1.057 36 H CA 2.354 58.245 56.048 -0.261 0.000 1.330 36 H CB -0.397 29.109 29.762 -0.427 0.000 1.400 36 H HN 0.275 nan 8.280 nan 0.000 0.503 37 F N -0.268 119.657 119.950 -0.040 0.000 2.206 37 F HA -0.066 4.456 4.527 -0.008 0.000 0.298 37 F C 2.644 178.369 175.800 -0.125 0.000 1.090 37 F CA 1.538 59.465 58.000 -0.121 0.000 1.323 37 F CB -0.497 38.468 39.000 -0.058 0.000 1.028 37 F HN 0.205 nan 8.300 nan 0.000 0.492 38 T N -0.321 114.278 114.554 0.076 0.000 2.939 38 T HA 0.098 4.443 4.350 -0.008 0.000 0.254 38 T C 1.942 176.574 174.700 -0.113 0.000 1.041 38 T CA 0.765 62.837 62.100 -0.046 0.000 1.142 38 T CB -0.163 68.640 68.868 -0.109 0.000 0.874 38 T HN 0.120 nan 8.240 nan 0.000 0.452 39 L N 1.093 122.259 121.223 -0.093 0.000 2.554 39 L HA 0.217 4.552 4.340 -0.008 0.000 0.225 39 L C 0.379 177.176 176.870 -0.122 0.000 1.104 39 L CA -0.083 54.691 54.840 -0.110 0.000 0.866 39 L CB 0.038 42.044 42.059 -0.088 0.000 1.047 39 L HN -0.025 nan 8.230 nan 0.000 0.468 40 V N 0.698 120.520 119.914 -0.153 0.000 5.949 40 V HA -0.280 3.835 4.120 -0.008 0.000 0.287 40 V C -0.035 175.970 176.094 -0.148 0.000 0.603 40 V CA 1.141 63.322 62.300 -0.200 0.000 0.608 40 V CB -2.269 29.455 31.823 -0.164 0.000 0.259 40 V HN 0.422 nan 8.190 nan 0.000 0.742 41 K N 0.832 121.161 120.400 -0.119 0.000 2.480 41 K HA 0.760 5.076 4.320 -0.008 0.000 0.258 41 K C -0.462 176.125 176.600 -0.021 0.000 0.990 41 K CA -0.495 55.748 56.287 -0.074 0.000 0.857 41 K CB 2.672 35.120 32.500 -0.086 0.000 1.384 41 K HN 0.493 nan 8.250 nan 0.000 0.446 42 D N -1.129 119.270 120.400 -0.002 0.000 2.450 42 D HA 0.318 4.954 4.640 -0.008 0.000 0.238 42 D C 0.529 176.863 176.300 0.056 0.000 1.020 42 D CA -0.773 53.252 54.000 0.042 0.000 1.010 42 D CB 0.981 41.800 40.800 0.032 0.000 1.342 42 D HN 0.187 nan 8.370 nan 0.000 0.530 43 R N -0.001 120.560 120.500 0.101 0.000 2.316 43 R HA -0.011 4.324 4.340 -0.008 0.000 0.202 43 R C 0.849 177.211 176.300 0.104 0.000 1.029 43 R CA 0.348 56.543 56.100 0.159 0.000 1.018 43 R CB -0.675 29.736 30.300 0.185 0.000 0.888 43 R HN 0.549 nan 8.270 nan 0.000 0.471 44 N N 0.669 119.403 118.700 0.056 0.000 2.250 44 N HA -0.116 4.619 4.740 -0.008 0.000 0.181 44 N C 1.569 177.091 175.510 0.019 0.000 1.017 44 N CA 1.015 54.087 53.050 0.037 0.000 0.866 44 N CB 0.405 38.906 38.487 0.023 0.000 0.985 44 N HN 0.094 nan 8.380 nan 0.000 0.429 45 V N -3.179 116.734 119.914 -0.001 0.000 3.661 45 V HA 0.560 4.676 4.120 -0.008 0.000 0.271 45 V C 0.691 176.744 176.094 -0.068 0.000 1.315 45 V CA -0.174 62.111 62.300 -0.025 0.000 1.072 45 V CB -0.669 31.137 31.823 -0.029 0.000 0.830 45 V HN 0.223 nan 8.190 nan 0.000 0.443 46 A N 2.465 125.220 122.820 -0.108 0.000 2.540 46 A HA 0.487 4.802 4.320 -0.008 0.000 0.239 46 A C 0.785 178.166 177.584 -0.339 0.000 1.061 46 A CA 0.962 52.820 52.037 -0.298 0.000 0.758 46 A CB -0.380 18.328 19.000 -0.486 0.000 0.991 46 A HN 0.867 nan 8.150 nan 0.000 0.502 47 T N 0.310 114.663 114.554 -0.334 0.000 2.948 47 T HA 0.603 4.948 4.350 -0.008 0.000 0.285 47 T C -2.134 172.451 174.700 -0.192 0.000 1.019 47 T CA -1.773 60.219 62.100 -0.179 0.000 1.013 47 T CB 1.324 70.145 68.868 -0.077 0.000 1.117 47 T HN 0.249 nan 8.240 nan 0.000 0.533 48 P HA -0.078 nan 4.420 nan 0.000 0.216 48 P C 1.624 179.033 177.300 0.182 0.000 1.150 48 P CA 0.897 64.124 63.100 0.212 0.000 0.843 48 P CB 0.046 31.846 31.700 0.167 0.000 0.787 49 R N 0.063 120.616 120.500 0.089 0.000 2.091 49 R HA -0.161 4.175 4.340 -0.008 0.000 0.238 49 R C 1.633 178.085 176.300 0.252 0.000 1.136 49 R CA 1.868 58.057 56.100 0.149 0.000 0.959 49 R CB -0.661 29.649 30.300 0.017 0.000 0.856 49 R HN 0.112 nan 8.270 nan 0.000 0.437 50 D N -0.505 119.927 120.400 0.053 0.000 2.117 50 D HA -0.178 4.457 4.640 -0.008 0.000 0.197 50 D C 1.731 178.060 176.300 0.048 0.000 0.987 50 D CA 1.204 55.200 54.000 -0.007 0.000 0.829 50 D CB -0.284 40.375 40.800 -0.235 0.000 0.961 50 D HN 0.290 nan 8.370 nan 0.000 0.460 51 Y N 0.116 120.506 120.300 0.150 0.000 2.224 51 Y HA -0.199 4.346 4.550 -0.007 0.000 0.289 51 Y C 2.314 178.329 175.900 0.191 0.000 1.146 51 Y CA 0.222 58.449 58.100 0.211 0.000 1.182 51 Y CB -1.137 37.515 38.460 0.320 0.000 0.983 51 Y HN 0.099 nan 8.280 nan 0.000 0.524 52 Y N -0.641 119.802 120.300 0.240 0.000 2.145 52 Y HA -0.257 4.288 4.550 -0.008 0.000 0.286 52 Y C 1.965 177.827 175.900 -0.063 0.000 1.145 52 Y CA 1.208 59.349 58.100 0.067 0.000 1.148 52 Y CB -1.132 37.284 38.460 -0.074 0.000 0.981 52 Y HN 0.009 nan 8.280 nan 0.000 0.507 53 F N 0.413 120.066 119.950 -0.495 0.000 2.171 53 F HA -0.101 4.422 4.527 -0.007 0.000 0.300 53 F C 2.649 178.193 175.800 -0.426 0.000 1.090 53 F CA 1.461 59.085 58.000 -0.627 0.000 1.293 53 F CB -0.999 37.850 39.000 -0.251 0.000 1.013 53 F HN 0.207 nan 8.300 nan 0.000 0.486 54 A N -0.300 122.445 122.820 -0.126 0.000 1.902 54 A HA -0.175 4.140 4.320 -0.008 0.000 0.217 54 A C 2.093 179.531 177.584 -0.243 0.000 1.181 54 A CA 1.658 53.518 52.037 -0.295 0.000 0.623 54 A CB -1.024 17.468 19.000 -0.847 0.000 0.818 54 A HN 0.358 nan 8.150 nan 0.000 0.443 55 L N -0.399 120.785 121.223 -0.066 0.000 2.072 55 L HA 0.055 4.390 4.340 -0.008 0.000 0.205 55 L C 2.624 179.459 176.870 -0.060 0.000 1.079 55 L CA 2.070 57.017 54.840 0.178 0.000 0.752 55 L CB -0.843 41.399 42.059 0.306 0.000 0.906 55 L HN 0.318 nan 8.230 nan 0.000 0.436 56 A N -0.993 121.590 122.820 -0.396 0.000 1.883 56 A HA -0.288 4.028 4.320 -0.008 0.000 0.217 56 A C 2.134 179.328 177.584 -0.649 0.000 1.186 56 A CA 2.099 53.774 52.037 -0.603 0.000 0.624 56 A CB -1.158 17.122 19.000 -1.199 0.000 0.822 56 A HN 0.700 nan 8.150 nan 0.000 0.444 57 H N -0.973 117.783 119.070 -0.524 0.000 2.389 57 H HA -0.062 4.489 4.556 -0.007 0.000 0.299 57 H C 2.362 177.455 175.328 -0.392 0.000 1.081 57 H CA 1.835 57.517 56.048 -0.610 0.000 1.345 57 H CB -0.143 28.983 29.762 -1.060 0.000 1.393 57 H HN 0.460 nan 8.280 nan 0.000 0.520 58 T N -0.133 114.377 114.554 -0.074 0.000 2.746 58 T HA -0.141 4.205 4.350 -0.008 0.000 0.267 58 T C 2.247 177.107 174.700 0.267 0.000 1.039 58 T CA 1.321 63.554 62.100 0.221 0.000 1.142 58 T CB -0.357 68.701 68.868 0.317 0.000 0.866 58 T HN 0.095 nan 8.240 nan 0.000 0.444 59 V N 1.527 121.569 119.914 0.213 0.000 2.379 59 V HA -0.092 4.024 4.120 -0.008 0.000 0.245 59 V C 2.660 178.949 176.094 0.324 0.000 1.044 59 V CA 1.377 63.855 62.300 0.297 0.000 1.036 59 V CB -0.597 31.401 31.823 0.292 0.000 0.664 59 V HN 0.360 nan 8.190 nan 0.000 0.453 60 R N 0.285 120.922 120.500 0.229 0.000 2.127 60 R HA -0.211 4.125 4.340 -0.008 0.000 0.238 60 R C 1.874 178.294 176.300 0.199 0.000 1.134 60 R CA 1.985 58.227 56.100 0.236 0.000 0.975 60 R CB -0.460 29.838 30.300 -0.003 0.000 0.865 60 R HN 0.500 nan 8.270 nan 0.000 0.447 61 D N -0.225 120.272 120.400 0.161 0.000 2.182 61 D HA -0.164 4.472 4.640 -0.008 0.000 0.201 61 D C 1.717 178.044 176.300 0.045 0.000 0.986 61 D CA 1.051 55.112 54.000 0.101 0.000 0.847 61 D CB -0.432 40.409 40.800 0.069 0.000 0.942 61 D HN 0.445 nan 8.370 nan 0.000 0.467 62 H N -0.133 119.009 119.070 0.121 0.000 2.521 62 H HA 0.031 4.583 4.556 -0.007 0.000 0.286 62 H C 2.155 177.531 175.328 0.081 0.000 1.034 62 H CA 0.435 56.537 56.048 0.090 0.000 1.278 62 H CB 0.299 30.106 29.762 0.074 0.000 1.386 62 H HN 0.207 nan 8.280 nan 0.000 0.567 63 L N -0.484 120.856 121.223 0.196 0.000 2.209 63 L HA -0.083 4.252 4.340 -0.008 0.000 0.207 63 L C 2.557 179.546 176.870 0.198 0.000 1.094 63 L CA 0.137 55.059 54.840 0.136 0.000 0.790 63 L CB -0.108 41.993 42.059 0.069 0.000 0.932 63 L HN -0.003 nan 8.230 nan 0.000 0.447 64 V N 0.564 120.619 119.914 0.235 0.000 2.250 64 V HA -0.317 3.798 4.120 -0.008 0.000 0.250 64 V C 2.637 178.852 176.094 0.200 0.000 1.060 64 V CA 2.289 64.755 62.300 0.277 0.000 1.030 64 V CB -1.476 30.459 31.823 0.186 0.000 0.643 64 V HN 0.588 nan 8.190 nan 0.000 0.445 65 G N -0.278 108.594 108.800 0.121 0.000 2.514 65 G HA2 -0.309 3.647 3.960 -0.008 0.000 0.217 65 G HA3 -0.309 3.647 3.960 -0.008 0.000 0.217 65 G C 1.702 176.658 174.900 0.092 0.000 1.198 65 G CA 1.197 46.345 45.100 0.080 0.000 0.780 65 G HN 0.457 nan 8.290 nan 0.000 0.565 66 R N -1.382 119.180 120.500 0.102 0.000 2.096 66 R HA -0.046 4.289 4.340 -0.008 0.000 0.235 66 R C 2.191 178.586 176.300 0.159 0.000 1.127 66 R CA 1.113 57.263 56.100 0.083 0.000 0.968 66 R CB -0.447 29.883 30.300 0.049 0.000 0.861 66 R HN 0.510 nan 8.270 nan 0.000 0.440 67 W N 1.190 122.487 121.300 -0.005 0.000 2.335 67 W HA -0.109 4.546 4.660 -0.007 0.000 0.311 67 W C 1.627 178.143 176.519 -0.005 0.000 1.213 67 W CA 1.114 58.459 57.345 0.001 0.000 1.274 67 W CB -0.522 28.956 29.460 0.031 0.000 1.148 67 W HN 0.013 nan 8.180 nan 0.000 0.498 68 I N -0.294 120.352 120.570 0.126 0.000 2.286 68 I HA -0.237 3.929 4.170 -0.008 0.000 0.245 68 I C 2.666 178.784 176.117 0.001 0.000 1.104 68 I CA 1.158 62.447 61.300 -0.017 0.000 1.397 68 I CB -0.541 37.443 38.000 -0.027 0.000 1.072 68 I HN -0.186 nan 8.210 nan 0.000 0.417 69 R N -0.027 120.486 120.500 0.022 0.000 2.075 69 R HA -0.122 4.214 4.340 -0.008 0.000 0.232 69 R C 2.318 178.600 176.300 -0.030 0.000 1.126 69 R CA 1.901 58.001 56.100 0.001 0.000 0.963 69 R CB -0.441 29.855 30.300 -0.006 0.000 0.858 69 R HN 0.323 nan 8.270 nan 0.000 0.435 70 T N 0.936 115.452 114.554 -0.064 0.000 2.674 70 T HA -0.150 4.196 4.350 -0.008 0.000 0.265 70 T C 1.754 176.226 174.700 -0.380 0.000 1.039 70 T CA 1.081 63.034 62.100 -0.244 0.000 1.150 70 T CB -0.128 68.636 68.868 -0.173 0.000 0.864 70 T HN 0.185 nan 8.240 nan 0.000 0.427 71 Q N 0.742 120.476 119.800 -0.110 0.000 2.170 71 Q HA -0.094 4.241 4.340 -0.008 0.000 0.203 71 Q C 2.337 178.388 176.000 0.086 0.000 0.976 71 Q CA 1.284 57.119 55.803 0.052 0.000 0.858 71 Q CB -0.521 28.275 28.738 0.097 0.000 0.907 71 Q HN 0.480 nan 8.270 nan 0.000 0.433 72 Q N 0.200 120.023 119.800 0.039 0.000 2.079 72 Q HA -0.178 4.158 4.340 -0.008 0.000 0.200 72 Q C 1.926 178.012 176.000 0.144 0.000 0.974 72 Q CA 2.031 57.885 55.803 0.085 0.000 0.840 72 Q CB -0.466 28.296 28.738 0.041 0.000 0.898 72 Q HN 0.587 nan 8.270 nan 0.000 0.430 73 H N -0.916 118.136 119.070 -0.031 0.000 2.352 73 H HA -0.173 4.378 4.556 -0.007 0.000 0.299 73 H C 1.147 176.534 175.328 0.097 0.000 1.097 73 H CA 2.188 58.223 56.048 -0.021 0.000 1.311 73 H CB -0.331 29.348 29.762 -0.138 0.000 1.377 73 H HN 0.340 nan 8.280 nan 0.000 0.504 74 Y N -0.986 119.320 120.300 0.009 0.000 2.293 74 Y HA -0.161 4.384 4.550 -0.008 0.000 0.291 74 Y C 2.383 178.271 175.900 -0.019 0.000 1.137 74 Y CA 1.026 59.099 58.100 -0.044 0.000 1.202 74 Y CB -1.229 37.300 38.460 0.116 0.000 0.990 74 Y HN 0.389 nan 8.280 nan 0.000 0.537 75 Y N 0.799 121.165 120.300 0.109 0.000 2.184 75 Y HA -0.142 4.403 4.550 -0.008 0.000 0.290 75 Y C 2.159 178.058 175.900 -0.002 0.000 1.129 75 Y CA 1.739 59.867 58.100 0.047 0.000 1.144 75 Y CB -0.222 38.257 38.460 0.032 0.000 0.995 75 Y HN 0.113 nan 8.280 nan 0.000 0.513 76 E N -0.085 120.145 120.200 0.050 0.000 2.051 76 E HA -0.197 4.148 4.350 -0.008 0.000 0.192 76 E C 2.167 178.684 176.600 -0.139 0.000 0.991 76 E CA 1.103 57.482 56.400 -0.036 0.000 0.799 76 E CB -0.072 29.659 29.700 0.052 0.000 0.748 76 E HN 0.210 nan 8.360 nan 0.000 0.449 77 K N 0.639 120.929 120.400 -0.183 0.000 2.155 77 K HA -0.117 4.198 4.320 -0.008 0.000 0.203 77 K C 0.039 176.557 176.600 -0.137 0.000 1.052 77 K CA 0.681 56.858 56.287 -0.184 0.000 0.948 77 K CB -0.035 32.264 32.500 -0.335 0.000 0.728 77 K HN 0.018 nan 8.250 nan 0.000 0.448 78 D N 0.504 120.820 120.400 -0.140 0.000 2.697 78 D HA -0.110 4.526 4.640 -0.008 0.000 0.238 78 D C -2.442 173.808 176.300 -0.083 0.000 1.152 78 D CA 0.189 54.114 54.000 -0.124 0.000 0.666 78 D CB -0.154 40.548 40.800 -0.164 0.000 1.037 78 D HN 0.216 nan 8.370 nan 0.000 0.423 79 P HA 0.151 nan 4.420 nan 0.000 0.278 79 P C -0.099 177.150 177.300 -0.085 0.000 1.266 79 P CA -0.638 62.419 63.100 -0.073 0.000 0.807 79 P CB 0.679 32.330 31.700 -0.083 0.000 1.094 80 K N 1.128 121.484 120.400 -0.074 0.000 2.448 80 K HA 0.059 4.374 4.320 -0.008 0.000 0.278 80 K C -0.064 176.450 176.600 -0.144 0.000 1.009 80 K CA 0.039 56.277 56.287 -0.082 0.000 0.995 80 K CB 0.280 32.750 32.500 -0.050 0.000 0.917 80 K HN 0.310 nan 8.250 nan 0.000 0.481 81 R N 3.774 124.176 120.500 -0.163 0.000 2.407 81 R HA 0.346 4.682 4.340 -0.008 0.000 0.303 81 R C -0.558 175.486 176.300 -0.427 0.000 0.981 81 R CA -0.862 55.071 56.100 -0.278 0.000 0.905 81 R CB 0.989 31.133 30.300 -0.260 0.000 1.099 81 R HN 0.494 nan 8.270 nan 0.000 0.459 82 I N 4.132 124.388 120.570 -0.523 0.000 2.312 82 I HA 0.190 4.356 4.170 -0.008 0.000 0.290 82 I C -0.569 175.249 176.117 -0.498 0.000 1.008 82 I CA -0.794 60.134 61.300 -0.620 0.000 1.226 82 I CB 0.506 37.959 38.000 -0.913 0.000 1.371 82 I HN 0.515 nan 8.210 nan 0.000 0.468 83 Y N 6.040 126.303 120.300 -0.062 0.000 2.369 83 Y HA 0.260 4.806 4.550 -0.007 0.000 0.337 83 Y C -0.207 175.794 175.900 0.168 0.000 0.961 83 Y CA -0.668 57.508 58.100 0.126 0.000 1.186 83 Y CB 0.955 39.428 38.460 0.022 0.000 1.139 83 Y HN 0.393 nan 8.280 nan 0.000 0.494 84 Y N 4.705 125.177 120.300 0.287 0.000 2.594 84 Y HA 0.422 4.968 4.550 -0.007 0.000 0.342 84 Y C -1.140 175.032 175.900 0.453 0.000 1.010 84 Y CA -1.113 57.178 58.100 0.317 0.000 1.270 84 Y CB 0.097 38.746 38.460 0.315 0.000 1.125 84 Y HN 0.489 nan 8.280 nan 0.000 0.513 85 L N 4.665 125.941 121.223 0.087 0.000 2.281 85 L HA 0.414 4.750 4.340 -0.008 0.000 0.285 85 L C -0.016 176.857 176.870 0.005 0.000 1.074 85 L CA 0.193 55.133 54.840 0.166 0.000 0.817 85 L CB 1.044 43.177 42.059 0.122 0.000 1.168 85 L HN 0.561 nan 8.230 nan 0.000 0.434 86 S N 2.959 118.763 115.700 0.172 0.000 2.541 86 S HA 0.468 4.934 4.470 -0.008 0.000 0.271 86 S C 0.209 174.932 174.600 0.204 0.000 1.133 86 S CA -0.643 57.568 58.200 0.018 0.000 0.876 86 S CB 1.021 64.006 63.200 -0.359 0.000 1.105 86 S HN 0.457 nan 8.310 nan 0.000 0.470 87 L N 2.522 123.884 121.223 0.232 0.000 2.591 87 L HA 0.433 4.768 4.340 -0.008 0.000 0.228 87 L C 0.181 177.267 176.870 0.360 0.000 1.133 87 L CA 1.123 56.159 54.840 0.327 0.000 0.880 87 L CB -1.074 41.168 42.059 0.304 0.000 1.033 87 L HN 0.725 nan 8.230 nan 0.000 0.450 88 E N -1.216 119.085 120.200 0.169 0.000 2.343 88 E HA 0.373 4.718 4.350 -0.008 0.000 0.278 88 E C -1.535 174.988 176.600 -0.127 0.000 0.910 88 E CA -0.468 56.015 56.400 0.139 0.000 0.757 88 E CB 2.141 31.867 29.700 0.044 0.000 1.218 88 E HN -0.179 nan 8.360 nan 0.000 0.435 89 F N 1.858 121.913 119.950 0.175 0.000 2.949 89 F HA 0.171 4.693 4.527 -0.008 0.000 0.376 89 F C -0.957 174.928 175.800 0.142 0.000 1.205 89 F CA -0.664 57.435 58.000 0.166 0.000 1.155 89 F CB 0.844 39.937 39.000 0.155 0.000 1.495 89 F HN 0.477 nan 8.300 nan 0.000 0.551 90 Y N 4.919 125.290 120.300 0.117 0.000 2.530 90 Y HA 0.143 4.689 4.550 -0.007 0.000 0.340 90 Y C 1.134 177.060 175.900 0.043 0.000 1.247 90 Y CA -0.607 57.518 58.100 0.041 0.000 1.727 90 Y CB 0.279 38.752 38.460 0.021 0.000 1.613 90 Y HN 0.506 nan 8.280 nan 0.000 0.464 91 M N 1.273 121.003 119.600 0.217 0.000 2.334 91 M HA 0.129 4.605 4.480 -0.008 0.000 0.266 91 M C 1.545 177.819 176.300 -0.043 0.000 1.082 91 M CA 1.049 56.390 55.300 0.068 0.000 1.141 91 M CB -1.107 31.512 32.600 0.033 0.000 1.380 91 M HN 0.675 nan 8.290 nan 0.000 0.440 92 G N 1.273 110.055 108.800 -0.031 0.000 2.598 92 G HA2 -0.259 3.696 3.960 -0.008 0.000 0.244 92 G HA3 -0.259 3.696 3.960 -0.008 0.000 0.244 92 G C -0.310 174.532 174.900 -0.097 0.000 1.302 92 G CA -0.371 44.667 45.100 -0.103 0.000 0.903 92 G HN 0.428 nan 8.290 nan 0.000 0.575 93 R N -0.962 119.460 120.500 -0.129 0.000 2.637 93 R HA 0.588 4.924 4.340 -0.008 0.000 0.269 93 R C 1.097 177.261 176.300 -0.225 0.000 1.089 93 R CA 0.355 56.386 56.100 -0.115 0.000 1.177 93 R CB 0.572 30.812 30.300 -0.099 0.000 1.091 93 R HN 0.533 nan 8.270 nan 0.000 0.540 94 T N 0.656 115.017 114.554 -0.322 0.000 2.955 94 T HA 0.007 4.352 4.350 -0.008 0.000 0.251 94 T C 1.349 175.603 174.700 -0.743 0.000 1.002 94 T CA -0.209 61.472 62.100 -0.698 0.000 0.970 94 T CB 0.169 68.200 68.868 -1.396 0.000 1.091 94 T HN 0.311 nan 8.240 nan 0.000 0.495 95 L N 2.053 123.090 121.223 -0.309 0.000 1.970 95 L HA -0.024 4.311 4.340 -0.008 0.000 0.212 95 L C 2.485 179.313 176.870 -0.069 0.000 1.071 95 L CA 2.067 56.901 54.840 -0.011 0.000 0.751 95 L CB -0.675 41.603 42.059 0.366 0.000 0.889 95 L HN 0.184 nan 8.230 nan 0.000 0.432 96 Q N -0.683 119.077 119.800 -0.067 0.000 2.084 96 Q HA -0.265 4.070 4.340 -0.008 0.000 0.202 96 Q C 2.243 178.170 176.000 -0.121 0.000 0.978 96 Q CA 2.008 57.769 55.803 -0.071 0.000 0.844 96 Q CB -0.374 28.319 28.738 -0.075 0.000 0.898 96 Q HN 0.716 nan 8.270 nan 0.000 0.426 97 N N -1.139 117.448 118.700 -0.190 0.000 2.149 97 N HA -0.149 4.587 4.740 -0.008 0.000 0.188 97 N C 1.329 176.730 175.510 -0.182 0.000 1.019 97 N CA 1.730 54.661 53.050 -0.198 0.000 0.857 97 N CB 0.069 38.403 38.487 -0.255 0.000 0.997 97 N HN 0.251 nan 8.380 nan 0.000 0.426 98 T N 1.120 115.530 114.554 -0.240 0.000 2.777 98 T HA -0.040 4.305 4.350 -0.008 0.000 0.266 98 T C 2.048 176.688 174.700 -0.099 0.000 1.040 98 T CA 0.957 62.940 62.100 -0.196 0.000 1.141 98 T CB -0.048 68.667 68.868 -0.254 0.000 0.868 98 T HN 0.251 nan 8.240 nan 0.000 0.444 99 M N 0.557 120.114 119.600 -0.070 0.000 2.117 99 M HA -0.093 4.382 4.480 -0.008 0.000 0.262 99 M C 2.462 178.728 176.300 -0.056 0.000 1.065 99 M CA 1.269 56.541 55.300 -0.048 0.000 1.114 99 M CB -0.592 31.997 32.600 -0.019 0.000 1.361 99 M HN 0.100 nan 8.290 nan 0.000 0.408 100 V N 0.947 120.834 119.914 -0.045 0.000 2.255 100 V HA -0.301 3.815 4.120 -0.008 0.000 0.247 100 V C 1.866 177.960 176.094 -0.001 0.000 1.051 100 V CA 1.918 64.216 62.300 -0.003 0.000 1.018 100 V CB -0.877 30.954 31.823 0.013 0.000 0.641 100 V HN 0.528 nan 8.190 nan 0.000 0.445 101 N N -0.239 118.450 118.700 -0.020 0.000 2.453 101 N HA -0.009 4.726 4.740 -0.008 0.000 0.183 101 N C 1.395 176.798 175.510 -0.178 0.000 1.041 101 N CA 0.923 53.933 53.050 -0.067 0.000 0.900 101 N CB 0.082 38.552 38.487 -0.028 0.000 0.961 101 N HN 0.426 nan 8.380 nan 0.000 0.443 102 L N 0.092 121.232 121.223 -0.138 0.000 2.693 102 L HA 0.283 4.618 4.340 -0.008 0.000 0.235 102 L C 0.715 177.495 176.870 -0.149 0.000 1.127 102 L CA -0.167 54.593 54.840 -0.134 0.000 0.914 102 L CB 0.211 42.218 42.059 -0.087 0.000 1.193 102 L HN -0.056 nan 8.230 nan 0.000 0.502 103 A N 0.501 123.229 122.820 -0.154 0.000 2.925 103 A HA -0.206 4.110 4.320 -0.008 0.000 0.265 103 A C 0.827 178.349 177.584 -0.104 0.000 1.419 103 A CA 0.936 52.896 52.037 -0.128 0.000 0.807 103 A CB -2.113 16.800 19.000 -0.145 0.000 1.043 103 A HN 0.415 nan 8.150 nan 0.000 0.600 104 L N -1.364 119.795 121.223 -0.105 0.000 2.693 104 L HA 0.185 4.521 4.340 -0.008 0.000 0.235 104 L C 1.824 178.656 176.870 -0.063 0.000 1.127 104 L CA 0.683 55.457 54.840 -0.110 0.000 0.914 104 L CB 0.080 42.034 42.059 -0.175 0.000 1.193 104 L HN 0.608 nan 8.230 nan 0.000 0.502 105 E N 1.342 121.516 120.200 -0.044 0.000 2.038 105 E HA -0.258 4.087 4.350 -0.008 0.000 0.195 105 E C 1.700 178.289 176.600 -0.018 0.000 1.000 105 E CA 2.015 58.401 56.400 -0.022 0.000 0.803 105 E CB 0.094 29.784 29.700 -0.016 0.000 0.750 105 E HN 0.508 nan 8.360 nan 0.000 0.448 106 N N -0.634 118.051 118.700 -0.024 0.000 2.188 106 N HA -0.141 4.595 4.740 -0.008 0.000 0.184 106 N C 1.749 177.245 175.510 -0.023 0.000 1.018 106 N CA 0.765 53.800 53.050 -0.024 0.000 0.858 106 N CB -0.110 38.361 38.487 -0.027 0.000 0.989 106 N HN 0.202 nan 8.380 nan 0.000 0.426 107 A N 0.437 123.241 122.820 -0.027 0.000 1.877 107 A HA -0.171 4.144 4.320 -0.008 0.000 0.216 107 A C 2.400 179.978 177.584 -0.011 0.000 1.186 107 A CA 1.144 53.168 52.037 -0.022 0.000 0.620 107 A CB -0.963 18.015 19.000 -0.036 0.000 0.822 107 A HN 0.470 nan 8.150 nan 0.000 0.443 108 C N -0.907 118.387 119.300 -0.010 0.000 2.440 108 C HA -0.053 4.403 4.460 -0.008 0.000 0.278 108 C C 2.462 177.457 174.990 0.007 0.000 1.295 108 C CA 1.121 60.144 59.018 0.009 0.000 1.738 108 C CB -1.088 26.668 27.740 0.027 0.000 1.987 108 C HN 0.715 nan 8.230 nan 0.000 0.492 109 D N 0.709 121.113 120.400 0.006 0.000 2.117 109 D HA -0.140 4.495 4.640 -0.008 0.000 0.197 109 D C 2.127 178.445 176.300 0.030 0.000 0.987 109 D CA 1.452 55.460 54.000 0.014 0.000 0.829 109 D CB -0.199 40.599 40.800 -0.003 0.000 0.961 109 D HN 0.481 nan 8.370 nan 0.000 0.460 110 E N 0.064 120.273 120.200 0.014 0.000 2.072 110 E HA 0.010 4.356 4.350 -0.008 0.000 0.190 110 E C 1.878 178.519 176.600 0.068 0.000 0.982 110 E CA 1.422 57.846 56.400 0.041 0.000 0.803 110 E CB -0.523 29.180 29.700 0.005 0.000 0.755 110 E HN 0.200 nan 8.360 nan 0.000 0.453 111 A N 0.056 122.881 122.820 0.009 0.000 1.865 111 A HA -0.221 4.094 4.320 -0.008 0.000 0.217 111 A C 2.525 180.033 177.584 -0.127 0.000 1.191 111 A CA 2.977 54.989 52.037 -0.041 0.000 0.623 111 A CB -1.593 17.385 19.000 -0.037 0.000 0.826 111 A HN 0.514 nan 8.150 nan 0.000 0.444 112 T N -3.582 110.886 114.554 -0.142 0.000 2.833 112 T HA -0.225 4.121 4.350 -0.008 0.000 0.269 112 T C 1.808 176.413 174.700 -0.158 0.000 1.054 112 T CA 1.603 63.553 62.100 -0.250 0.000 1.135 112 T CB -0.563 68.208 68.868 -0.160 0.000 0.869 112 T HN 0.516 nan 8.240 nan 0.000 0.466 113 Y N 1.921 122.137 120.300 -0.139 0.000 2.200 113 Y HA -0.027 4.519 4.550 -0.007 0.000 0.290 113 Y C 2.655 178.490 175.900 -0.108 0.000 1.137 113 Y CA 1.455 59.493 58.100 -0.102 0.000 1.163 113 Y CB -0.466 37.955 38.460 -0.066 0.000 0.988 113 Y HN 0.211 nan 8.280 nan 0.000 0.518 114 Q N -0.039 119.702 119.800 -0.098 0.000 2.226 114 Q HA -0.128 4.207 4.340 -0.008 0.000 0.204 114 Q C 1.764 177.620 176.000 -0.240 0.000 0.975 114 Q CA 1.434 57.139 55.803 -0.165 0.000 0.866 114 Q CB -0.118 28.602 28.738 -0.029 0.000 0.915 114 Q HN 0.523 nan 8.270 nan 0.000 0.440 115 L N -0.790 120.268 121.223 -0.275 0.000 2.612 115 L HA 0.154 4.489 4.340 -0.008 0.000 0.230 115 L C 0.924 177.606 176.870 -0.313 0.000 1.140 115 L CA 0.208 54.866 54.840 -0.302 0.000 0.896 115 L CB 0.081 41.866 42.059 -0.457 0.000 1.065 115 L HN 0.312 nan 8.230 nan 0.000 0.447 116 G N 0.692 109.285 108.800 -0.346 0.000 2.176 116 G HA2 -0.264 3.691 3.960 -0.008 0.000 0.252 116 G HA3 -0.264 3.691 3.960 -0.008 0.000 0.252 116 G C -0.152 174.600 174.900 -0.247 0.000 1.024 116 G CA -0.019 44.893 45.100 -0.314 0.000 0.755 116 G HN 0.253 nan 8.290 nan 0.000 0.507 117 L N -0.325 120.751 121.223 -0.244 0.000 2.354 117 L HA 0.592 4.927 4.340 -0.008 0.000 0.269 117 L C -0.498 176.342 176.870 -0.050 0.000 1.005 117 L CA -1.160 53.583 54.840 -0.162 0.000 0.819 117 L CB 1.900 43.812 42.059 -0.245 0.000 1.311 117 L HN 0.081 nan 8.230 nan 0.000 0.423 118 D N 2.351 122.755 120.400 0.007 0.000 2.428 118 D HA 0.150 4.786 4.640 -0.008 0.000 0.221 118 D C 0.794 177.129 176.300 0.059 0.000 1.123 118 D CA -0.230 53.800 54.000 0.050 0.000 0.869 118 D CB 1.267 42.101 40.800 0.057 0.000 1.032 118 D HN 0.515 nan 8.370 nan 0.000 0.506 119 M N 2.919 122.553 119.600 0.058 0.000 2.192 119 M HA -0.213 4.262 4.480 -0.008 0.000 0.259 119 M C 1.171 177.519 176.300 0.079 0.000 1.071 119 M CA 1.704 57.048 55.300 0.073 0.000 1.082 119 M CB 0.205 32.841 32.600 0.060 0.000 1.373 119 M HN 0.382 nan 8.290 nan 0.000 0.408 120 E N -0.502 119.735 120.200 0.061 0.000 2.208 120 E HA -0.213 4.133 4.350 -0.008 0.000 0.193 120 E C 1.828 178.461 176.600 0.055 0.000 0.988 120 E CA 1.067 57.498 56.400 0.052 0.000 0.828 120 E CB -0.140 29.586 29.700 0.043 0.000 0.763 120 E HN 0.655 nan 8.360 nan 0.000 0.478 121 E N 1.104 121.342 120.200 0.064 0.000 2.072 121 E HA -0.164 4.181 4.350 -0.008 0.000 0.191 121 E C 2.139 178.781 176.600 0.070 0.000 0.985 121 E CA 0.542 56.979 56.400 0.063 0.000 0.801 121 E CB 0.087 29.828 29.700 0.069 0.000 0.750 121 E HN 0.222 nan 8.360 nan 0.000 0.452 122 L N 0.558 121.847 121.223 0.110 0.000 2.046 122 L HA -0.165 4.170 4.340 -0.008 0.000 0.208 122 L C 2.409 179.339 176.870 0.099 0.000 1.077 122 L CA 1.360 56.301 54.840 0.169 0.000 0.747 122 L CB -0.480 41.734 42.059 0.258 0.000 0.896 122 L HN 0.162 nan 8.230 nan 0.000 0.432 123 E N -0.105 120.142 120.200 0.078 0.000 2.153 123 E HA -0.198 4.147 4.350 -0.008 0.000 0.194 123 E C 1.879 178.420 176.600 -0.099 0.000 0.988 123 E CA 0.744 57.151 56.400 0.012 0.000 0.811 123 E CB 0.097 29.815 29.700 0.030 0.000 0.746 123 E HN 0.332 nan 8.360 nan 0.000 0.466 124 E N 0.190 120.353 120.200 -0.061 0.000 2.478 124 E HA -0.098 4.247 4.350 -0.008 0.000 0.198 124 E C 1.655 178.177 176.600 -0.130 0.000 1.046 124 E CA 0.387 56.751 56.400 -0.061 0.000 0.870 124 E CB 0.163 29.865 29.700 0.003 0.000 0.818 124 E HN 0.359 nan 8.360 nan 0.000 0.527 125 I N 0.440 120.858 120.570 -0.253 0.000 2.584 125 I HA -0.053 4.113 4.170 -0.008 0.000 0.255 125 I C 1.286 177.089 176.117 -0.523 0.000 1.145 125 I CA 0.262 61.353 61.300 -0.348 0.000 1.462 125 I CB -0.583 37.202 38.000 -0.359 0.000 1.102 125 I HN 0.090 nan 8.210 nan 0.000 0.433 126 E N 2.638 122.379 120.200 -0.765 0.000 2.413 126 E HA -0.056 4.290 4.350 -0.008 0.000 0.263 126 E C -0.132 176.377 176.600 -0.151 0.000 1.015 126 E CA 0.026 56.083 56.400 -0.572 0.000 0.916 126 E CB 0.745 30.203 29.700 -0.402 0.000 0.947 126 E HN 0.127 nan 8.360 nan 0.000 0.440 127 E N 3.111 123.326 120.200 0.025 0.000 2.266 127 E HA 0.097 4.442 4.350 -0.008 0.000 0.277 127 E C -0.775 175.929 176.600 0.173 0.000 1.018 127 E CA -0.520 55.973 56.400 0.155 0.000 0.840 127 E CB 1.037 30.921 29.700 0.307 0.000 1.082 127 E HN 0.492 nan 8.360 nan 0.000 0.395 128 D N 1.003 121.474 120.400 0.118 0.000 2.414 128 D HA 0.127 4.762 4.640 -0.008 0.000 0.242 128 D C -0.440 175.880 176.300 0.033 0.000 1.129 128 D CA 0.067 54.101 54.000 0.057 0.000 0.885 128 D CB 0.840 41.658 40.800 0.029 0.000 1.198 128 D HN 0.382 nan 8.370 nan 0.000 0.437 129 A N 2.421 125.206 122.820 -0.058 0.000 3.015 129 A HA 0.453 4.768 4.320 -0.008 0.000 0.293 129 A C 0.933 178.332 177.584 -0.308 0.000 1.572 129 A CA -0.426 51.371 52.037 -0.399 0.000 1.274 129 A CB -0.276 18.589 19.000 -0.226 0.000 1.156 129 A HN 0.445 nan 8.150 nan 0.000 0.562 130 G N 1.455 110.065 108.800 -0.317 0.000 3.541 130 G HA2 0.407 4.363 3.960 -0.008 0.000 0.253 130 G HA3 0.407 4.363 3.960 -0.008 0.000 0.253 130 G C 0.262 174.953 174.900 -0.348 0.000 1.017 130 G CA -0.265 44.753 45.100 -0.137 0.000 1.832 130 G HN 0.667 nan 8.290 nan 0.000 0.649 131 L N 1.578 122.629 121.223 -0.286 0.000 2.998 131 L HA 0.426 4.762 4.340 -0.008 0.000 0.234 131 L C 0.940 177.714 176.870 -0.159 0.000 1.350 131 L CA -0.321 54.434 54.840 -0.142 0.000 1.202 131 L CB -0.261 41.842 42.059 0.074 0.000 1.583 131 L HN 0.324 nan 8.230 nan 0.000 0.456 132 G N -1.115 107.347 108.800 -0.563 0.000 2.677 132 G HA2 0.202 4.157 3.960 -0.008 0.000 0.291 132 G HA3 0.202 4.157 3.960 -0.008 0.000 0.291 132 G C -0.199 174.161 174.900 -0.900 0.000 1.435 132 G CA -0.447 44.265 45.100 -0.648 0.000 0.826 132 G HN -0.051 nan 8.290 nan 0.000 0.491 133 N N -0.674 117.777 118.700 -0.414 0.000 2.368 133 N HA 0.179 4.915 4.740 -0.008 0.000 0.178 133 N C 1.241 176.756 175.510 0.008 0.000 1.021 133 N CA 1.394 54.322 53.050 -0.202 0.000 0.875 133 N CB 1.006 39.483 38.487 -0.017 0.000 1.020 133 N HN 0.780 nan 8.380 nan 0.000 0.433 134 G N -0.780 108.111 108.800 0.151 0.000 3.218 134 G HA2 0.227 4.182 3.960 -0.008 0.000 0.143 134 G HA3 0.227 4.182 3.960 -0.008 0.000 0.143 134 G C 0.784 175.845 174.900 0.270 0.000 1.220 134 G CA 0.327 45.618 45.100 0.318 0.000 1.382 134 G HN 0.203 nan 8.290 nan 0.000 0.682 135 G N 0.508 109.404 108.800 0.159 0.000 2.459 135 G HA2 -0.099 3.857 3.960 -0.008 0.000 0.217 135 G HA3 -0.099 3.857 3.960 -0.008 0.000 0.217 135 G C 1.899 176.846 174.900 0.079 0.000 1.183 135 G CA 1.452 46.615 45.100 0.105 0.000 0.776 135 G HN 0.732 nan 8.290 nan 0.000 0.552 136 L N 0.727 121.973 121.223 0.038 0.000 2.012 136 L HA 0.007 4.342 4.340 -0.008 0.000 0.210 136 L C 2.860 179.702 176.870 -0.047 0.000 1.073 136 L CA 2.199 56.980 54.840 -0.098 0.000 0.748 136 L CB -0.620 41.296 42.059 -0.239 0.000 0.891 136 L HN 0.256 nan 8.230 nan 0.000 0.431 137 G N -0.834 107.984 108.800 0.029 0.000 2.402 137 G HA2 -0.306 3.649 3.960 -0.008 0.000 0.216 137 G HA3 -0.306 3.649 3.960 -0.008 0.000 0.216 137 G C 1.630 176.615 174.900 0.142 0.000 1.162 137 G CA 0.695 45.825 45.100 0.051 0.000 0.777 137 G HN 0.268 nan 8.290 nan 0.000 0.539 138 R N 0.064 120.695 120.500 0.220 0.000 2.092 138 R HA 0.103 4.439 4.340 -0.008 0.000 0.231 138 R C 2.367 178.702 176.300 0.059 0.000 1.119 138 R CA 0.796 56.997 56.100 0.169 0.000 0.970 138 R CB -0.975 29.392 30.300 0.112 0.000 0.864 138 R HN 0.358 nan 8.270 nan 0.000 0.440 139 L N 0.094 121.285 121.223 -0.054 0.000 2.083 139 L HA -0.001 4.334 4.340 -0.008 0.000 0.209 139 L C 2.008 178.588 176.870 -0.485 0.000 1.083 139 L CA 2.129 56.784 54.840 -0.309 0.000 0.752 139 L CB -0.748 41.099 42.059 -0.352 0.000 0.899 139 L HN 0.220 nan 8.230 nan 0.000 0.433 140 A N -0.628 122.061 122.820 -0.217 0.000 1.933 140 A HA -0.075 4.241 4.320 -0.008 0.000 0.218 140 A C 2.436 180.101 177.584 0.136 0.000 1.175 140 A CA 1.622 53.619 52.037 -0.067 0.000 0.628 140 A CB -1.055 17.815 19.000 -0.217 0.000 0.814 140 A HN 0.553 nan 8.150 nan 0.000 0.444 141 A N -1.104 121.817 122.820 0.168 0.000 1.898 141 A HA -0.142 4.173 4.320 -0.008 0.000 0.216 141 A C 2.276 179.959 177.584 0.165 0.000 1.181 141 A CA 1.630 53.805 52.037 0.231 0.000 0.620 141 A CB -1.179 17.939 19.000 0.197 0.000 0.819 141 A HN 0.583 nan 8.150 nan 0.000 0.442 142 C N -1.568 117.825 119.300 0.156 0.000 2.435 142 C HA 0.006 4.462 4.460 -0.008 0.000 0.279 142 C C 2.394 177.561 174.990 0.295 0.000 1.321 142 C CA 0.363 59.508 59.018 0.211 0.000 1.752 142 C CB -1.556 26.338 27.740 0.258 0.000 1.959 142 C HN 0.599 nan 8.230 nan 0.000 0.500 143 F N 1.191 121.144 119.950 0.006 0.000 2.134 143 F HA -0.052 4.470 4.527 -0.008 0.000 0.299 143 F C 2.269 178.022 175.800 -0.079 0.000 1.097 143 F CA 0.973 58.914 58.000 -0.097 0.000 1.264 143 F CB -1.328 37.466 39.000 -0.343 0.000 1.001 143 F HN 0.165 nan 8.300 nan 0.000 0.479 144 L N -0.309 121.018 121.223 0.173 0.000 2.012 144 L HA -0.266 4.070 4.340 -0.008 0.000 0.210 144 L C 2.417 179.316 176.870 0.048 0.000 1.073 144 L CA 2.060 56.957 54.840 0.095 0.000 0.748 144 L CB -0.809 41.324 42.059 0.125 0.000 0.891 144 L HN 0.183 nan 8.230 nan 0.000 0.431 145 D N -0.221 120.217 120.400 0.063 0.000 2.123 145 D HA -0.165 4.471 4.640 -0.008 0.000 0.196 145 D C 2.039 178.365 176.300 0.043 0.000 0.992 145 D CA 1.683 55.702 54.000 0.031 0.000 0.833 145 D CB 0.330 41.145 40.800 0.025 0.000 0.954 145 D HN 0.223 nan 8.370 nan 0.000 0.455 146 S N -0.149 115.593 115.700 0.070 0.000 2.387 146 S HA -0.023 4.442 4.470 -0.008 0.000 0.226 146 S C 2.125 176.741 174.600 0.026 0.000 1.026 146 S CA 0.580 58.811 58.200 0.052 0.000 0.972 146 S CB -0.077 63.160 63.200 0.062 0.000 0.814 146 S HN 0.346 nan 8.310 nan 0.000 0.477 147 M N 1.012 120.618 119.600 0.010 0.000 2.229 147 M HA -0.066 4.409 4.480 -0.008 0.000 0.264 147 M C 2.392 178.692 176.300 -0.001 0.000 1.063 147 M CA 1.237 56.535 55.300 -0.003 0.000 1.114 147 M CB -0.490 32.082 32.600 -0.046 0.000 1.387 147 M HN 0.402 nan 8.290 nan 0.000 0.420 148 A N -0.230 122.592 122.820 0.003 0.000 1.874 148 A HA -0.089 4.226 4.320 -0.008 0.000 0.214 148 A C 2.142 179.747 177.584 0.035 0.000 1.189 148 A CA 1.783 53.828 52.037 0.014 0.000 0.615 148 A CB -0.978 18.017 19.000 -0.009 0.000 0.830 148 A HN 0.378 nan 8.150 nan 0.000 0.443 149 T N -0.058 114.520 114.554 0.041 0.000 2.929 149 T HA -0.038 4.307 4.350 -0.008 0.000 0.271 149 T C 1.066 175.799 174.700 0.056 0.000 1.085 149 T CA 1.001 63.137 62.100 0.061 0.000 1.125 149 T CB -0.175 68.737 68.868 0.074 0.000 0.874 149 T HN 0.146 nan 8.240 nan 0.000 0.494 150 L N 0.639 121.891 121.223 0.048 0.000 2.685 150 L HA 0.395 4.730 4.340 -0.008 0.000 0.233 150 L C 1.643 178.548 176.870 0.059 0.000 1.173 150 L CA 0.151 55.020 54.840 0.049 0.000 0.961 150 L CB -0.817 41.269 42.059 0.045 0.000 1.217 150 L HN 0.363 nan 8.230 nan 0.000 0.478 151 G N 0.023 108.865 108.800 0.070 0.000 2.258 151 G HA2 -0.294 3.661 3.960 -0.008 0.000 0.274 151 G HA3 -0.294 3.661 3.960 -0.008 0.000 0.274 151 G C 0.371 175.333 174.900 0.104 0.000 1.021 151 G CA 0.386 45.551 45.100 0.109 0.000 0.798 151 G HN 0.319 nan 8.290 nan 0.000 0.507 152 L N -0.243 120.998 121.223 0.030 0.000 2.350 152 L HA 0.589 4.924 4.340 -0.008 0.000 0.275 152 L C 1.181 177.885 176.870 -0.278 0.000 1.099 152 L CA -0.315 54.476 54.840 -0.082 0.000 0.808 152 L CB 1.575 43.594 42.059 -0.065 0.000 1.149 152 L HN 0.222 nan 8.230 nan 0.000 0.442 153 A N 3.033 125.513 122.820 -0.567 0.000 3.037 153 A HA 0.554 4.869 4.320 -0.008 0.000 0.272 153 A C 0.362 177.531 177.584 -0.692 0.000 1.723 153 A CA -0.234 51.145 52.037 -1.097 0.000 1.413 153 A CB -0.603 17.707 19.000 -1.150 0.000 1.112 153 A HN 0.703 nan 8.150 nan 0.000 0.606 154 A N 1.236 123.677 122.820 -0.632 0.000 2.312 154 A HA 0.738 5.054 4.320 -0.008 0.000 0.326 154 A C -1.063 176.127 177.584 -0.657 0.000 1.172 154 A CA -0.389 51.337 52.037 -0.517 0.000 0.821 154 A CB 0.532 19.335 19.000 -0.329 0.000 1.166 154 A HN 0.585 nan 8.150 nan 0.000 0.493 155 Y N 0.844 121.069 120.300 -0.124 0.000 2.332 155 Y HA 0.496 5.042 4.550 -0.007 0.000 0.326 155 Y C 0.931 176.982 175.900 0.251 0.000 0.978 155 Y CA -0.463 57.677 58.100 0.068 0.000 1.205 155 Y CB 2.027 40.612 38.460 0.208 0.000 1.131 155 Y HN 0.828 nan 8.280 nan 0.000 0.462 156 G N 2.509 111.436 108.800 0.212 0.000 2.370 156 G HA2 0.359 4.315 3.960 -0.008 0.000 0.272 156 G HA3 0.359 4.315 3.960 -0.008 0.000 0.272 156 G C -1.565 173.399 174.900 0.107 0.000 1.208 156 G CA -0.096 45.163 45.100 0.265 0.000 0.856 156 G HN 0.542 nan 8.290 nan 0.000 0.500 157 Y N 1.114 121.614 120.300 0.332 0.000 2.338 157 Y HA 0.594 5.139 4.550 -0.008 0.000 0.333 157 Y C 0.716 176.881 175.900 0.442 0.000 0.968 157 Y CA 0.171 58.439 58.100 0.281 0.000 1.123 157 Y CB 2.582 41.255 38.460 0.356 0.000 1.165 157 Y HN 0.882 nan 8.280 nan 0.000 0.452 158 G N 2.231 111.300 108.800 0.448 0.000 2.871 158 G HA2 0.534 4.490 3.960 -0.008 0.000 0.282 158 G HA3 0.534 4.490 3.960 -0.008 0.000 0.282 158 G C -1.989 173.152 174.900 0.402 0.000 1.212 158 G CA -0.766 44.660 45.100 0.544 0.000 0.812 158 G HN 0.581 nan 8.290 nan 0.000 0.547 159 I N -0.008 120.718 120.570 0.260 0.000 2.509 159 I HA 0.644 4.810 4.170 -0.008 0.000 0.293 159 I C 0.019 176.080 176.117 -0.093 0.000 1.020 159 I CA -1.170 60.202 61.300 0.120 0.000 1.088 159 I CB 2.024 40.015 38.000 -0.015 0.000 1.267 159 I HN 0.441 nan 8.210 nan 0.000 0.430 160 R N 6.676 127.208 120.500 0.053 0.000 2.891 160 R HA 0.229 4.564 4.340 -0.008 0.000 0.248 160 R C -1.413 174.944 176.300 0.095 0.000 1.439 160 R CA -0.416 55.742 56.100 0.096 0.000 1.288 160 R CB -0.108 30.227 30.300 0.058 0.000 1.212 160 R HN 0.545 nan 8.270 nan 0.000 0.605 161 Y N 1.338 121.794 120.300 0.260 0.000 2.610 161 Y HA -0.115 4.430 4.550 -0.008 0.000 0.332 161 Y C 1.589 177.643 175.900 0.256 0.000 1.201 161 Y CA 0.294 58.528 58.100 0.223 0.000 1.465 161 Y CB 0.652 39.225 38.460 0.188 0.000 1.283 161 Y HN 0.565 nan 8.280 nan 0.000 0.563 162 E N 1.889 122.214 120.200 0.208 0.000 2.152 162 E HA -0.069 4.276 4.350 -0.008 0.000 0.192 162 E C -0.757 175.624 176.600 -0.363 0.000 0.983 162 E CA 0.692 56.971 56.400 -0.202 0.000 0.818 162 E CB 0.183 29.610 29.700 -0.454 0.000 0.758 162 E HN 0.465 nan 8.360 nan 0.000 0.467 163 F N -0.471 119.706 119.950 0.378 0.000 2.507 163 F HA 0.418 4.941 4.527 -0.008 0.000 0.328 163 F C 0.770 176.681 175.800 0.187 0.000 1.136 163 F CA -0.862 57.327 58.000 0.314 0.000 0.930 163 F CB 1.717 40.824 39.000 0.178 0.000 1.166 163 F HN -0.152 nan 8.300 nan 0.000 0.436 164 G N 1.728 110.654 108.800 0.211 0.000 2.546 164 G HA2 0.316 4.272 3.960 -0.008 0.000 0.239 164 G HA3 0.316 4.272 3.960 -0.008 0.000 0.239 164 G C -0.477 174.391 174.900 -0.052 0.000 1.476 164 G CA -0.614 44.446 45.100 -0.067 0.000 1.064 164 G HN 0.530 nan 8.290 nan 0.000 0.561 165 I N 1.214 121.683 120.570 -0.169 0.000 2.668 165 I HA 0.201 4.367 4.170 -0.008 0.000 0.285 165 I C 0.578 176.638 176.117 -0.095 0.000 1.168 165 I CA -1.294 59.904 61.300 -0.170 0.000 1.424 165 I CB -0.498 37.310 38.000 -0.319 0.000 1.377 165 I HN 0.325 nan 8.210 nan 0.000 0.560 166 F N 5.460 125.424 119.950 0.025 0.000 2.642 166 F HA 0.102 4.624 4.527 -0.007 0.000 0.371 166 F C 0.334 176.187 175.800 0.089 0.000 1.120 166 F CA -0.387 57.648 58.000 0.059 0.000 1.331 166 F CB -0.571 38.452 39.000 0.039 0.000 1.044 166 F HN 0.536 nan 8.300 nan 0.000 0.594 167 N N 2.617 121.458 118.700 0.234 0.000 2.430 167 N HA 0.062 4.798 4.740 -0.008 0.000 0.265 167 N C -0.757 174.937 175.510 0.306 0.000 1.100 167 N CA -0.606 52.547 53.050 0.173 0.000 0.961 167 N CB 0.634 39.235 38.487 0.190 0.000 1.075 167 N HN 0.714 nan 8.380 nan 0.000 0.478 168 Q N 2.957 122.899 119.800 0.236 0.000 2.261 168 Q HA 0.216 4.551 4.340 -0.008 0.000 0.252 168 Q C -1.011 175.158 176.000 0.282 0.000 0.915 168 Q CA -0.238 55.784 55.803 0.365 0.000 0.915 168 Q CB 0.746 29.692 28.738 0.347 0.000 1.204 168 Q HN 0.370 nan 8.270 nan 0.000 0.421 169 K N 4.062 124.617 120.400 0.259 0.000 2.316 169 K HA 0.462 4.777 4.320 -0.008 0.000 0.251 169 K C -0.855 175.855 176.600 0.183 0.000 0.934 169 K CA -0.989 55.425 56.287 0.211 0.000 0.802 169 K CB 1.600 34.204 32.500 0.174 0.000 1.171 169 K HN 0.614 nan 8.250 nan 0.000 0.426 170 I N 2.383 123.051 120.570 0.163 0.000 2.328 170 I HA 0.138 4.304 4.170 -0.008 0.000 0.287 170 I C -0.089 176.095 176.117 0.112 0.000 1.012 170 I CA -0.738 60.630 61.300 0.113 0.000 1.195 170 I CB 0.707 38.757 38.000 0.084 0.000 1.350 170 I HN 0.565 nan 8.210 nan 0.000 0.464 171 C N 5.501 124.878 119.300 0.128 0.000 2.322 171 C HA 0.675 5.131 4.460 -0.008 0.000 0.324 171 C C 1.229 176.329 174.990 0.184 0.000 1.249 171 C CA 0.321 59.417 59.018 0.131 0.000 1.453 171 C CB -0.128 27.680 27.740 0.113 0.000 2.145 171 C HN 1.115 nan 8.230 nan 0.000 0.466 172 G N 4.061 112.946 108.800 0.142 0.000 2.225 172 G HA2 0.114 4.070 3.960 -0.008 0.000 0.267 172 G HA3 0.114 4.070 3.960 -0.008 0.000 0.267 172 G C 1.274 176.232 174.900 0.096 0.000 1.024 172 G CA 1.166 46.368 45.100 0.170 0.000 0.784 172 G HN 2.737 nan 8.290 nan 0.000 0.507 173 G N -2.893 105.899 108.800 -0.013 0.000 2.179 173 G HA2 -0.296 3.659 3.960 -0.008 0.000 0.260 173 G HA3 -0.296 3.659 3.960 -0.008 0.000 0.260 173 G C 0.360 175.065 174.900 -0.325 0.000 0.977 173 G CA 0.723 45.698 45.100 -0.208 0.000 0.641 173 G HN 1.213 nan 8.290 nan 0.000 0.533 174 W N 0.850 122.099 121.300 -0.085 0.000 2.512 174 W HA 0.656 5.312 4.660 -0.007 0.000 0.335 174 W C 0.615 177.084 176.519 -0.083 0.000 1.088 174 W CA -0.825 56.461 57.345 -0.098 0.000 1.236 174 W CB 0.846 30.265 29.460 -0.067 0.000 1.307 174 W HN 0.305 nan 8.180 nan 0.000 0.567 175 Q N 2.928 122.829 119.800 0.168 0.000 2.314 175 Q HA 0.331 4.666 4.340 -0.008 0.000 0.258 175 Q C -0.645 175.433 176.000 0.129 0.000 0.954 175 Q CA 0.073 55.951 55.803 0.126 0.000 0.890 175 Q CB 0.671 29.479 28.738 0.117 0.000 1.210 175 Q HN 0.319 nan 8.270 nan 0.000 0.410 176 M N 2.970 122.648 119.600 0.131 0.000 2.465 176 M HA 0.385 4.861 4.480 -0.008 0.000 0.316 176 M C -1.288 175.066 176.300 0.091 0.000 1.121 176 M CA -0.631 54.715 55.300 0.075 0.000 0.934 176 M CB 1.907 34.557 32.600 0.084 0.000 1.692 176 M HN 0.680 nan 8.290 nan 0.000 0.444 177 E N 1.360 121.541 120.200 -0.031 0.000 2.151 177 E HA 0.477 4.823 4.350 -0.008 0.000 0.275 177 E C -0.949 175.671 176.600 0.033 0.000 0.936 177 E CA -0.340 56.021 56.400 -0.065 0.000 0.777 177 E CB 1.816 31.203 29.700 -0.522 0.000 1.108 177 E HN 0.401 nan 8.360 nan 0.000 0.401 178 E N 1.081 121.381 120.200 0.166 0.000 2.256 178 E HA 0.596 4.941 4.350 -0.008 0.000 0.267 178 E C -0.921 175.765 176.600 0.143 0.000 0.892 178 E CA -1.220 55.251 56.400 0.119 0.000 0.775 178 E CB 1.848 31.631 29.700 0.138 0.000 1.207 178 E HN 0.583 nan 8.360 nan 0.000 0.420 179 A N 1.845 124.696 122.820 0.053 0.000 2.498 179 A HA 0.010 4.325 4.320 -0.008 0.000 0.239 179 A C -0.046 177.671 177.584 0.221 0.000 1.068 179 A CA 0.147 52.203 52.037 0.031 0.000 0.766 179 A CB 0.081 18.948 19.000 -0.223 0.000 1.003 179 A HN 0.609 nan 8.150 nan 0.000 0.497 180 D N 1.493 122.104 120.400 0.351 0.000 2.524 180 D HA 0.200 4.835 4.640 -0.008 0.000 0.222 180 D C -0.590 176.051 176.300 0.569 0.000 1.142 180 D CA -0.286 53.944 54.000 0.382 0.000 0.973 180 D CB 0.259 41.229 40.800 0.283 0.000 1.025 180 D HN 0.351 nan 8.370 nan 0.000 0.519 181 D N 3.416 124.116 120.400 0.500 0.000 2.545 181 D HA -0.028 4.608 4.640 -0.008 0.000 0.227 181 D C 0.983 177.466 176.300 0.305 0.000 1.150 181 D CA -0.477 53.773 54.000 0.417 0.000 1.046 181 D CB -0.081 40.915 40.800 0.327 0.000 1.098 181 D HN 0.560 nan 8.370 nan 0.000 0.502 182 W N 2.773 124.137 121.300 0.107 0.000 2.678 182 W HA 0.036 4.691 4.660 -0.007 0.000 0.256 182 W C 0.096 176.677 176.519 0.104 0.000 1.280 182 W CA -0.028 57.385 57.345 0.115 0.000 1.345 182 W CB -0.634 28.892 29.460 0.110 0.000 1.118 182 W HN 0.189 nan 8.180 nan 0.000 0.629 183 L N 1.111 122.016 121.223 -0.530 0.000 2.628 183 L HA 0.225 4.561 4.340 -0.008 0.000 0.229 183 L C 2.686 179.407 176.870 -0.248 0.000 1.137 183 L CA -0.110 54.395 54.840 -0.559 0.000 0.909 183 L CB -0.569 41.014 42.059 -0.794 0.000 1.137 183 L HN -0.118 nan 8.230 nan 0.000 0.470 184 R N 0.742 121.150 120.500 -0.153 0.000 2.113 184 R HA -0.226 4.110 4.340 -0.008 0.000 0.244 184 R C 1.006 177.092 176.300 -0.356 0.000 1.142 184 R CA 2.060 58.011 56.100 -0.248 0.000 0.953 184 R CB -0.126 29.999 30.300 -0.290 0.000 0.860 184 R HN 0.332 nan 8.270 nan 0.000 0.438 185 Y N -0.373 119.951 120.300 0.039 0.000 2.571 185 Y HA 0.337 4.882 4.550 -0.007 0.000 0.275 185 Y C 0.790 176.678 175.900 -0.020 0.000 1.179 185 Y CA 0.319 58.433 58.100 0.024 0.000 1.242 185 Y CB 0.894 39.473 38.460 0.198 0.000 1.126 185 Y HN 0.416 nan 8.280 nan 0.000 0.524 186 G N 1.513 110.348 108.800 0.059 0.000 2.756 186 G HA2 -0.245 3.711 3.960 -0.008 0.000 0.678 186 G HA3 -0.245 3.711 3.960 -0.008 0.000 0.678 186 G C -1.112 173.865 174.900 0.128 0.000 1.349 186 G CA -0.662 44.448 45.100 0.018 0.000 0.847 186 G HN 0.312 nan 8.290 nan 0.000 0.548 187 N N 0.826 119.557 118.700 0.051 0.000 2.531 187 N HA 0.542 5.277 4.740 -0.008 0.000 0.268 187 N C -0.926 174.604 175.510 0.033 0.000 1.023 187 N CA -1.885 51.219 53.050 0.090 0.000 0.896 187 N CB 2.125 40.613 38.487 0.002 0.000 1.233 187 N HN 0.267 nan 8.380 nan 0.000 0.512 188 P HA 0.067 nan 4.420 nan 0.000 0.237 188 P C 0.410 177.389 177.300 -0.534 0.000 1.178 188 P CA 0.565 63.391 63.100 -0.457 0.000 0.766 188 P CB 0.087 31.223 31.700 -0.941 0.000 0.876 189 W N 1.722 123.065 121.300 0.073 0.000 2.574 189 W HA 0.101 4.756 4.660 -0.007 0.000 0.282 189 W C 1.282 177.860 176.519 0.098 0.000 1.197 189 W CA -0.282 57.094 57.345 0.051 0.000 1.376 189 W CB -0.535 28.941 29.460 0.026 0.000 1.091 189 W HN -0.072 nan 8.180 nan 0.000 0.569 190 E N 2.104 122.507 120.200 0.338 0.000 2.392 190 E HA 0.195 4.540 4.350 -0.008 0.000 0.259 190 E C -0.493 176.297 176.600 0.316 0.000 1.108 190 E CA -0.381 56.216 56.400 0.329 0.000 0.916 190 E CB 0.968 30.864 29.700 0.326 0.000 0.989 190 E HN -0.325 nan 8.360 nan 0.000 0.432 191 K N 1.495 122.099 120.400 0.341 0.000 2.535 191 K HA 0.403 4.718 4.320 -0.008 0.000 0.253 191 K C -1.195 175.454 176.600 0.081 0.000 0.953 191 K CA -0.499 55.920 56.287 0.220 0.000 0.863 191 K CB 1.460 34.095 32.500 0.226 0.000 1.111 191 K HN 0.658 nan 8.250 nan 0.000 0.431 192 A N 4.095 126.892 122.820 -0.038 0.000 2.498 192 A HA 0.378 4.693 4.320 -0.008 0.000 0.239 192 A C -0.268 177.112 177.584 -0.339 0.000 1.068 192 A CA -0.078 51.685 52.037 -0.457 0.000 0.766 192 A CB 0.229 18.981 19.000 -0.414 0.000 1.003 192 A HN 0.655 nan 8.150 nan 0.000 0.497 193 R N 2.984 123.241 120.500 -0.404 0.000 2.681 193 R HA 0.205 4.540 4.340 -0.008 0.000 0.277 193 R C -2.412 173.717 176.300 -0.285 0.000 1.563 193 R CA -1.666 54.255 56.100 -0.299 0.000 1.673 193 R CB 0.715 30.957 30.300 -0.098 0.000 1.258 193 R HN 0.562 nan 8.270 nan 0.000 0.650 194 P HA -0.199 nan 4.420 nan 0.000 0.219 194 P C 0.942 178.149 177.300 -0.154 0.000 1.146 194 P CA 1.191 64.193 63.100 -0.165 0.000 0.808 194 P CB 0.368 31.985 31.700 -0.138 0.000 0.779 195 E N -0.541 119.467 120.200 -0.321 0.000 2.338 195 E HA -0.133 4.212 4.350 -0.008 0.000 0.197 195 E C 0.559 177.025 176.600 -0.223 0.000 1.007 195 E CA 0.881 57.062 56.400 -0.366 0.000 0.849 195 E CB -0.710 28.617 29.700 -0.621 0.000 0.774 195 E HN 0.243 nan 8.360 nan 0.000 0.506 196 F N 1.970 121.928 119.950 0.014 0.000 2.684 196 F HA 0.288 4.811 4.527 -0.008 0.000 0.298 196 F C 0.341 176.230 175.800 0.149 0.000 1.120 196 F CA -0.823 57.215 58.000 0.063 0.000 1.332 196 F CB -0.071 38.953 39.000 0.041 0.000 0.986 196 F HN -0.290 nan 8.300 nan 0.000 0.524 197 T N 3.112 117.816 114.554 0.249 0.000 2.916 197 T HA 0.447 4.792 4.350 -0.008 0.000 0.303 197 T C 0.161 174.966 174.700 0.174 0.000 1.025 197 T CA 0.312 62.552 62.100 0.234 0.000 1.142 197 T CB 0.673 69.625 68.868 0.141 0.000 0.947 197 T HN 0.010 nan 8.240 nan 0.000 0.544 198 L N 5.011 126.299 121.223 0.109 0.000 2.354 198 L HA 0.563 4.899 4.340 -0.008 0.000 0.264 198 L C -2.315 174.498 176.870 -0.095 0.000 1.008 198 L CA -2.674 52.155 54.840 -0.018 0.000 0.819 198 L CB 2.303 44.294 42.059 -0.113 0.000 1.339 198 L HN 0.385 nan 8.230 nan 0.000 0.420 199 P HA 0.274 nan 4.420 nan 0.000 0.290 199 P C -1.111 176.030 177.300 -0.264 0.000 1.276 199 P CA -0.382 62.614 63.100 -0.172 0.000 0.808 199 P CB 1.892 33.492 31.700 -0.167 0.000 0.966 200 V N 4.517 124.258 119.914 -0.289 0.000 2.540 200 V HA 0.316 4.431 4.120 -0.008 0.000 0.302 200 V C 0.278 176.119 176.094 -0.422 0.000 1.035 200 V CA -0.615 61.502 62.300 -0.304 0.000 0.873 200 V CB 1.298 32.990 31.823 -0.219 0.000 0.992 200 V HN 0.600 nan 8.190 nan 0.000 0.428 201 H N 3.981 122.864 119.070 -0.312 0.000 2.479 201 H HA 0.607 5.158 4.556 -0.008 0.000 0.335 201 H C -1.318 173.693 175.328 -0.528 0.000 1.142 201 H CA -0.171 55.613 56.048 -0.441 0.000 1.234 201 H CB 1.866 31.120 29.762 -0.847 0.000 1.503 201 H HN 0.450 nan 8.280 nan 0.000 0.510 202 F N 0.145 120.133 119.950 0.065 0.000 2.599 202 F HA 0.213 4.736 4.527 -0.008 0.000 0.311 202 F C -0.262 175.656 175.800 0.196 0.000 1.076 202 F CA -0.563 57.488 58.000 0.085 0.000 0.937 202 F CB 0.907 39.870 39.000 -0.061 0.000 1.282 202 F HN 0.566 nan 8.300 nan 0.000 0.460 203 Y N 0.214 120.807 120.300 0.489 0.000 2.904 203 Y HA 0.020 4.565 4.550 -0.007 0.000 0.466 203 Y C 1.363 177.522 175.900 0.431 0.000 1.202 203 Y CA 0.696 59.008 58.100 0.353 0.000 2.492 203 Y CB -1.857 36.739 38.460 0.226 0.000 1.237 203 Y HN 1.323 nan 8.280 nan 0.000 0.633 204 G N 0.546 109.631 108.800 0.475 0.000 2.593 204 G HA2 0.155 4.111 3.960 -0.008 0.000 0.237 204 G HA3 0.155 4.111 3.960 -0.008 0.000 0.237 204 G C -0.622 174.501 174.900 0.372 0.000 1.312 204 G CA 0.878 46.186 45.100 0.346 0.000 0.896 204 G HN 1.352 nan 8.290 nan 0.000 0.574 205 R N -2.644 118.075 120.500 0.365 0.000 2.733 205 R HA 0.720 5.056 4.340 -0.008 0.000 0.272 205 R C -1.358 175.081 176.300 0.232 0.000 1.029 205 R CA -1.026 55.220 56.100 0.245 0.000 0.888 205 R CB 1.260 31.650 30.300 0.149 0.000 1.251 205 R HN 0.889 nan 8.270 nan 0.000 0.464 206 V N 0.646 120.605 119.914 0.075 0.000 2.435 206 V HA 0.378 4.493 4.120 -0.008 0.000 0.290 206 V C -0.316 175.706 176.094 -0.121 0.000 1.030 206 V CA -0.588 61.675 62.300 -0.062 0.000 0.881 206 V CB 1.484 33.173 31.823 -0.223 0.000 0.983 206 V HN 0.680 nan 8.190 nan 0.000 0.445 207 E N 2.983 123.092 120.200 -0.151 0.000 2.129 207 E HA 0.382 4.727 4.350 -0.008 0.000 0.268 207 E C -1.027 175.463 176.600 -0.183 0.000 0.900 207 E CA -0.630 55.711 56.400 -0.098 0.000 0.755 207 E CB 0.858 30.547 29.700 -0.018 0.000 1.117 207 E HN 0.683 nan 8.360 nan 0.000 0.410 208 H N 3.111 122.196 119.070 0.025 0.000 2.685 208 H HA 0.129 4.680 4.556 -0.008 0.000 0.286 208 H C 0.554 175.891 175.328 0.015 0.000 1.102 208 H CA -0.142 55.916 56.048 0.016 0.000 1.254 208 H CB 0.633 30.399 29.762 0.008 0.000 1.397 208 H HN 0.587 nan 8.280 nan 0.000 0.473 209 T N -0.969 113.643 114.554 0.096 0.000 3.070 209 T HA 0.068 4.413 4.350 -0.008 0.000 0.295 209 T C 1.401 176.136 174.700 0.060 0.000 1.221 209 T CA -0.601 61.538 62.100 0.065 0.000 0.926 209 T CB 0.521 69.412 68.868 0.039 0.000 2.158 209 T HN 0.318 nan 8.240 nan 0.000 0.573 210 S N -0.494 115.230 115.700 0.041 0.000 2.597 210 S HA 0.191 4.657 4.470 -0.008 0.000 0.224 210 S C 0.962 175.582 174.600 0.033 0.000 0.955 210 S CA -0.299 57.921 58.200 0.034 0.000 0.933 210 S CB -0.662 62.553 63.200 0.026 0.000 0.788 210 S HN 0.572 nan 8.310 nan 0.000 0.488 211 Q N 0.266 120.088 119.800 0.037 0.000 2.118 211 Q HA 0.305 4.641 4.340 -0.008 0.000 0.219 211 Q C 0.641 176.665 176.000 0.040 0.000 0.794 211 Q CA 0.212 56.035 55.803 0.033 0.000 1.035 211 Q CB 1.472 30.225 28.738 0.025 0.000 1.177 211 Q HN 0.566 nan 8.270 nan 0.000 0.478 212 G N 1.430 110.264 108.800 0.057 0.000 2.500 212 G HA2 -0.109 3.846 3.960 -0.008 0.000 0.209 212 G HA3 -0.109 3.846 3.960 -0.008 0.000 0.209 212 G C -0.581 174.364 174.900 0.074 0.000 1.283 212 G CA -0.553 44.596 45.100 0.081 0.000 0.960 212 G HN 0.342 nan 8.290 nan 0.000 0.528 213 A N -0.119 122.739 122.820 0.065 0.000 2.366 213 A HA 0.685 5.000 4.320 -0.008 0.000 0.249 213 A C 0.505 178.049 177.584 -0.066 0.000 1.084 213 A CA 1.253 53.242 52.037 -0.080 0.000 0.794 213 A CB 0.674 19.607 19.000 -0.111 0.000 1.034 213 A HN 1.100 nan 8.150 nan 0.000 0.491 214 K N 0.672 121.015 120.400 -0.095 0.000 2.553 214 K HA 0.220 4.535 4.320 -0.008 0.000 0.250 214 K C -2.067 174.565 176.600 0.053 0.000 0.953 214 K CA -0.463 55.815 56.287 -0.014 0.000 0.800 214 K CB 1.271 33.764 32.500 -0.012 0.000 1.243 214 K HN 0.735 nan 8.250 nan 0.000 0.435 215 W N 6.297 127.511 121.300 -0.143 0.000 2.342 215 W HA 0.350 5.005 4.660 -0.008 0.000 0.310 215 W C -0.699 175.751 176.519 -0.115 0.000 1.128 215 W CA -0.678 56.587 57.345 -0.134 0.000 1.322 215 W CB 0.201 29.569 29.460 -0.154 0.000 1.251 215 W HN 0.279 nan 8.180 nan 0.000 0.439 216 V N 2.889 122.858 119.914 0.093 0.000 3.155 216 V HA 0.609 4.724 4.120 -0.008 0.000 0.313 216 V C -0.126 175.951 176.094 -0.029 0.000 1.162 216 V CA -0.922 61.354 62.300 -0.041 0.000 1.048 216 V CB 1.989 33.816 31.823 0.006 0.000 1.092 216 V HN 0.459 nan 8.190 nan 0.000 0.447 217 D N 0.238 120.619 120.400 -0.032 0.000 2.772 217 D HA -0.139 4.497 4.640 -0.008 0.000 0.233 217 D C 0.535 176.845 176.300 0.016 0.000 1.143 217 D CA 1.541 55.546 54.000 0.009 0.000 0.700 217 D CB -1.634 39.193 40.800 0.046 0.000 1.076 217 D HN 1.331 nan 8.370 nan 0.000 0.430 218 T N -2.986 111.530 114.554 -0.064 0.000 2.902 218 T HA 0.548 4.894 4.350 -0.008 0.000 0.280 218 T C 0.374 175.116 174.700 0.070 0.000 0.992 218 T CA -0.785 61.294 62.100 -0.035 0.000 1.015 218 T CB 2.022 70.691 68.868 -0.332 0.000 1.044 218 T HN 0.026 nan 8.240 nan 0.000 0.520 219 Q N 0.668 120.569 119.800 0.169 0.000 2.271 219 Q HA 0.588 4.923 4.340 -0.008 0.000 0.258 219 Q C -0.892 175.193 176.000 0.142 0.000 0.936 219 Q CA -0.926 54.979 55.803 0.170 0.000 0.909 219 Q CB 1.996 30.889 28.738 0.259 0.000 1.253 219 Q HN 0.511 nan 8.270 nan 0.000 0.440 220 V N 2.846 122.787 119.914 0.045 0.000 2.481 220 V HA 0.390 4.505 4.120 -0.008 0.000 0.286 220 V C -0.315 175.821 176.094 0.069 0.000 1.042 220 V CA -0.620 61.644 62.300 -0.059 0.000 0.928 220 V CB 1.699 33.425 31.823 -0.161 0.000 0.986 220 V HN 0.498 nan 8.190 nan 0.000 0.462 221 V N 5.951 125.939 119.914 0.123 0.000 2.443 221 V HA 0.416 4.531 4.120 -0.008 0.000 0.293 221 V C -0.167 176.046 176.094 0.197 0.000 1.021 221 V CA -0.500 61.932 62.300 0.220 0.000 0.848 221 V CB 1.641 33.709 31.823 0.409 0.000 0.998 221 V HN 0.637 nan 8.190 nan 0.000 0.424 222 L N 3.762 125.082 121.223 0.163 0.000 2.417 222 L HA 0.681 5.016 4.340 -0.008 0.000 0.268 222 L C 0.626 177.676 176.870 0.300 0.000 1.158 222 L CA -0.152 54.776 54.840 0.147 0.000 0.819 222 L CB 1.117 43.242 42.059 0.111 0.000 1.112 222 L HN 0.746 nan 8.230 nan 0.000 0.458 223 A N 5.113 128.038 122.820 0.175 0.000 2.267 223 A HA 0.539 4.854 4.320 -0.008 0.000 0.315 223 A C -0.441 177.404 177.584 0.434 0.000 1.297 223 A CA -0.485 51.682 52.037 0.216 0.000 0.865 223 A CB 0.872 19.501 19.000 -0.618 0.000 1.165 223 A HN 0.777 nan 8.150 nan 0.000 0.513 224 M N 6.033 125.953 119.600 0.533 0.000 2.113 224 M HA 0.391 4.866 4.480 -0.008 0.000 0.352 224 M C -2.498 174.074 176.300 0.453 0.000 1.170 224 M CA -2.142 53.410 55.300 0.420 0.000 1.053 224 M CB 1.692 34.460 32.600 0.281 0.000 1.601 224 M HN 0.357 nan 8.290 nan 0.000 0.459 225 P HA 0.209 nan 4.420 nan 0.000 0.284 225 P C -1.913 175.302 177.300 -0.142 0.000 1.253 225 P CA 0.037 63.044 63.100 -0.155 0.000 0.800 225 P CB 0.480 31.914 31.700 -0.443 0.000 0.961 226 Y N 0.802 121.036 120.300 -0.109 0.000 2.326 226 Y HA 0.303 4.848 4.550 -0.008 0.000 0.329 226 Y C 0.020 175.907 175.900 -0.021 0.000 0.973 226 Y CA -0.311 57.784 58.100 -0.007 0.000 1.162 226 Y CB 1.453 39.939 38.460 0.044 0.000 1.147 226 Y HN 0.223 nan 8.280 nan 0.000 0.456 227 D N 2.125 122.634 120.400 0.182 0.000 2.233 227 D HA 0.383 5.018 4.640 -0.008 0.000 0.240 227 D C -0.568 175.989 176.300 0.428 0.000 1.074 227 D CA -0.179 53.973 54.000 0.254 0.000 0.838 227 D CB 1.699 42.664 40.800 0.275 0.000 1.124 227 D HN 0.352 nan 8.370 nan 0.000 0.475 228 T N 3.337 118.039 114.554 0.247 0.000 2.829 228 T HA 0.487 4.832 4.350 -0.008 0.000 0.280 228 T C -2.491 172.053 174.700 -0.260 0.000 0.999 228 T CA -1.559 60.580 62.100 0.065 0.000 0.983 228 T CB 1.910 70.807 68.868 0.049 0.000 0.968 228 T HN 0.157 nan 8.240 nan 0.000 0.446 229 P HA 0.297 nan 4.420 nan 0.000 0.275 229 P C -1.023 175.963 177.300 -0.523 0.000 1.227 229 P CA -0.372 62.041 63.100 -1.145 0.000 0.781 229 P CB 0.685 31.568 31.700 -1.361 0.000 0.906 230 V N 4.892 124.563 119.914 -0.404 0.000 2.340 230 V HA 0.264 4.379 4.120 -0.008 0.000 0.277 230 V C -2.163 173.820 176.094 -0.185 0.000 1.017 230 V CA -1.881 60.281 62.300 -0.231 0.000 0.820 230 V CB 1.380 33.117 31.823 -0.145 0.000 1.028 230 V HN 0.529 nan 8.190 nan 0.000 0.436 231 P HA 0.292 nan 4.420 nan 0.000 0.281 231 P C 0.376 177.637 177.300 -0.064 0.000 1.252 231 P CA 0.347 63.374 63.100 -0.121 0.000 0.778 231 P CB 1.643 33.265 31.700 -0.130 0.000 0.895 232 G N 2.432 111.211 108.800 -0.035 0.000 2.562 232 G HA2 0.147 4.103 3.960 -0.008 0.000 0.275 232 G HA3 0.147 4.103 3.960 -0.008 0.000 0.275 232 G C -1.163 173.758 174.900 0.034 0.000 1.196 232 G CA -0.454 44.654 45.100 0.013 0.000 0.908 232 G HN 0.448 nan 8.290 nan 0.000 0.524 233 Y N 1.386 121.656 120.300 -0.050 0.000 2.624 233 Y HA 0.186 4.731 4.550 -0.008 0.000 0.354 233 Y C 1.543 177.412 175.900 -0.051 0.000 1.051 233 Y CA -0.204 57.861 58.100 -0.057 0.000 1.377 233 Y CB -0.236 38.188 38.460 -0.060 0.000 1.168 233 Y HN 0.692 nan 8.280 nan 0.000 0.525 234 R N 2.966 123.171 120.500 -0.492 0.000 3.484 234 R HA -0.337 3.998 4.340 -0.008 0.000 0.260 234 R C 0.042 176.220 176.300 -0.203 0.000 1.053 234 R CA 1.320 57.175 56.100 -0.409 0.000 0.703 234 R CB -2.216 27.701 30.300 -0.639 0.000 1.089 234 R HN 0.932 nan 8.270 nan 0.000 0.459 235 N N -0.612 118.018 118.700 -0.117 0.000 2.177 235 N HA 0.047 4.782 4.740 -0.008 0.000 0.218 235 N C -0.158 175.313 175.510 -0.065 0.000 1.182 235 N CA -0.559 52.451 53.050 -0.066 0.000 0.882 235 N CB 0.499 38.972 38.487 -0.023 0.000 1.052 235 N HN 0.086 nan 8.380 nan 0.000 0.519 236 N N -0.235 118.421 118.700 -0.072 0.000 2.782 236 N HA -0.129 4.607 4.740 -0.008 0.000 0.251 236 N C -1.133 174.345 175.510 -0.054 0.000 1.101 236 N CA 0.545 53.559 53.050 -0.059 0.000 0.764 236 N CB -1.347 37.104 38.487 -0.060 0.000 1.122 236 N HN 0.197 nan 8.380 nan 0.000 0.561 237 V N 0.921 120.809 119.914 -0.044 0.000 2.427 237 V HA 0.533 4.648 4.120 -0.008 0.000 0.286 237 V C 0.518 176.599 176.094 -0.023 0.000 1.034 237 V CA -0.565 61.719 62.300 -0.027 0.000 0.893 237 V CB 2.263 34.094 31.823 0.014 0.000 0.982 237 V HN -0.037 nan 8.190 nan 0.000 0.452 238 V N 5.042 124.953 119.914 -0.005 0.000 2.445 238 V HA 0.420 4.535 4.120 -0.008 0.000 0.283 238 V C -0.169 175.951 176.094 0.043 0.000 1.014 238 V CA -0.867 61.408 62.300 -0.041 0.000 0.852 238 V CB 1.290 33.073 31.823 -0.066 0.000 1.021 238 V HN 0.834 nan 8.190 nan 0.000 0.435 239 N N 1.868 120.567 118.700 -0.002 0.000 2.418 239 N HA 0.585 5.321 4.740 -0.008 0.000 0.283 239 N C 0.042 175.585 175.510 0.054 0.000 1.267 239 N CA -0.255 52.822 53.050 0.045 0.000 0.975 239 N CB 0.907 39.360 38.487 -0.057 0.000 1.167 239 N HN 0.588 nan 8.380 nan 0.000 0.581 240 T N 0.638 115.237 114.554 0.074 0.000 2.861 240 T HA 0.403 4.748 4.350 -0.008 0.000 0.287 240 T C -0.423 174.283 174.700 0.010 0.000 1.003 240 T CA -0.527 61.682 62.100 0.182 0.000 0.977 240 T CB 1.154 70.286 68.868 0.440 0.000 0.996 240 T HN 0.300 nan 8.240 nan 0.000 0.448 241 M N 3.662 123.227 119.600 -0.059 0.000 2.072 241 M HA 0.497 4.972 4.480 -0.008 0.000 0.331 241 M C -0.525 175.633 176.300 -0.237 0.000 1.004 241 M CA -0.747 54.421 55.300 -0.220 0.000 0.952 241 M CB 0.672 33.093 32.600 -0.299 0.000 1.511 241 M HN 0.487 nan 8.290 nan 0.000 0.422 242 R N 5.725 125.968 120.500 -0.429 0.000 2.229 242 R HA 0.596 4.931 4.340 -0.008 0.000 0.332 242 R C -1.814 174.182 176.300 -0.507 0.000 0.989 242 R CA -0.372 55.397 56.100 -0.551 0.000 0.842 242 R CB 0.803 30.503 30.300 -1.001 0.000 1.119 242 R HN 0.804 nan 8.270 nan 0.000 0.456 243 L N 5.463 126.505 121.223 -0.303 0.000 2.305 243 L HA 0.454 4.789 4.340 -0.008 0.000 0.284 243 L C -0.810 176.044 176.870 -0.027 0.000 1.013 243 L CA -0.879 53.897 54.840 -0.108 0.000 0.819 243 L CB 1.390 43.471 42.059 0.037 0.000 1.227 243 L HN 0.604 nan 8.230 nan 0.000 0.417 244 W N 2.102 123.526 121.300 0.207 0.000 2.315 244 W HA 0.420 5.075 4.660 -0.007 0.000 0.316 244 W C 0.614 177.386 176.519 0.421 0.000 1.211 244 W CA -0.169 57.331 57.345 0.258 0.000 1.201 244 W CB 1.396 30.868 29.460 0.021 0.000 1.184 244 W HN 0.353 nan 8.180 nan 0.000 0.544 245 S N 2.064 118.201 115.700 0.728 0.000 2.473 245 S HA 0.735 5.201 4.470 -0.008 0.000 0.307 245 S C -0.344 174.601 174.600 0.574 0.000 1.094 245 S CA -0.739 57.780 58.200 0.531 0.000 1.070 245 S CB 0.554 64.024 63.200 0.451 0.000 1.019 245 S HN 0.531 nan 8.310 nan 0.000 0.480 246 A N 4.092 127.076 122.820 0.274 0.000 2.409 246 A HA 0.651 4.966 4.320 -0.008 0.000 0.262 246 A C -0.182 177.492 177.584 0.150 0.000 1.113 246 A CA -0.088 52.013 52.037 0.106 0.000 0.790 246 A CB 0.146 18.956 19.000 -0.316 0.000 1.046 246 A HN 0.574 nan 8.150 nan 0.000 0.496 247 K N 1.145 121.656 120.400 0.185 0.000 2.427 247 K HA 0.661 4.976 4.320 -0.008 0.000 0.252 247 K C -0.200 176.461 176.600 0.103 0.000 0.931 247 K CA -0.145 56.223 56.287 0.136 0.000 0.793 247 K CB 1.822 34.415 32.500 0.155 0.000 1.211 247 K HN 0.895 nan 8.250 nan 0.000 0.426 248 A N 4.619 127.480 122.820 0.068 0.000 2.445 248 A HA 0.420 4.735 4.320 -0.008 0.000 0.242 248 A C -1.898 175.718 177.584 0.052 0.000 1.075 248 A CA -0.663 51.405 52.037 0.053 0.000 0.777 248 A CB -0.640 18.379 19.000 0.033 0.000 1.013 248 A HN 0.597 nan 8.150 nan 0.000 0.493 262 Y N 1.020 121.321 120.300 0.002 0.000 2.069 262 Y HA -0.170 4.376 4.550 -0.008 0.000 0.278 262 Y C 2.724 178.626 175.900 0.003 0.000 1.175 262 Y CA 2.545 60.646 58.100 0.003 0.000 1.134 262 Y CB -0.112 38.350 38.460 0.003 0.000 0.965 262 Y HN 0.218 nan 8.280 nan 0.000 0.498 263 I N 0.288 120.752 120.570 -0.177 0.000 2.179 263 I HA -0.287 3.879 4.170 -0.008 0.000 0.242 263 I C 2.383 178.378 176.117 -0.203 0.000 1.088 263 I CA 1.747 62.891 61.300 -0.260 0.000 1.357 263 I CB -1.463 36.505 38.000 -0.053 0.000 1.051 263 I HN 0.336 nan 8.210 nan 0.000 0.409 264 Q N 1.184 120.919 119.800 -0.107 0.000 2.084 264 Q HA -0.100 4.235 4.340 -0.008 0.000 0.202 264 Q C 2.251 178.194 176.000 -0.094 0.000 0.978 264 Q CA 2.211 57.968 55.803 -0.076 0.000 0.844 264 Q CB -0.403 28.313 28.738 -0.037 0.000 0.898 264 Q HN 0.470 nan 8.270 nan 0.000 0.426 265 A N -0.788 121.966 122.820 -0.111 0.000 1.940 265 A HA -0.139 4.176 4.320 -0.008 0.000 0.219 265 A C 2.251 179.756 177.584 -0.131 0.000 1.176 265 A CA 1.714 53.693 52.037 -0.096 0.000 0.631 265 A CB -0.727 18.233 19.000 -0.066 0.000 0.814 265 A HN 0.266 nan 8.150 nan 0.000 0.446 266 V N 0.046 119.817 119.914 -0.238 0.000 2.379 266 V HA -0.202 3.914 4.120 -0.008 0.000 0.245 266 V C 2.531 178.550 176.094 -0.125 0.000 1.044 266 V CA 1.692 63.864 62.300 -0.213 0.000 1.036 266 V CB -0.696 30.919 31.823 -0.346 0.000 0.664 266 V HN 0.558 nan 8.190 nan 0.000 0.453 267 L N -0.212 120.940 121.223 -0.119 0.000 2.046 267 L HA -0.174 4.162 4.340 -0.008 0.000 0.208 267 L C 2.162 179.003 176.870 -0.047 0.000 1.077 267 L CA 1.505 56.303 54.840 -0.070 0.000 0.747 267 L CB -0.779 41.243 42.059 -0.062 0.000 0.896 267 L HN 0.313 nan 8.230 nan 0.000 0.432 268 D N 0.011 120.382 120.400 -0.049 0.000 2.384 268 D HA -0.128 4.507 4.640 -0.008 0.000 0.222 268 D C 2.124 178.411 176.300 -0.022 0.000 0.976 268 D CA 0.642 54.623 54.000 -0.031 0.000 0.915 268 D CB -0.093 40.689 40.800 -0.030 0.000 0.896 268 D HN 0.177 nan 8.370 nan 0.000 0.523 269 R N 0.119 120.604 120.500 -0.025 0.000 2.237 269 R HA -0.025 4.310 4.340 -0.008 0.000 0.219 269 R C 1.534 177.832 176.300 -0.003 0.000 1.080 269 R CA 0.411 56.505 56.100 -0.011 0.000 0.995 269 R CB 0.086 30.379 30.300 -0.012 0.000 0.875 269 R HN 0.126 nan 8.270 nan 0.000 0.462 270 N N 0.780 119.477 118.700 -0.006 0.000 2.166 270 N HA -0.153 4.582 4.740 -0.008 0.000 0.186 270 N C 1.707 177.217 175.510 -0.000 0.000 1.019 270 N CA 1.104 54.156 53.050 0.002 0.000 0.856 270 N CB -0.213 38.275 38.487 0.002 0.000 0.993 270 N HN 0.200 nan 8.380 nan 0.000 0.426 271 L N 0.605 121.825 121.223 -0.006 0.000 1.990 271 L HA -0.195 4.140 4.340 -0.008 0.000 0.213 271 L C 2.396 179.251 176.870 -0.025 0.000 1.072 271 L CA 1.689 56.523 54.840 -0.011 0.000 0.755 271 L CB -0.697 41.356 42.059 -0.008 0.000 0.889 271 L HN 0.133 nan 8.230 nan 0.000 0.432 272 A N -0.434 122.374 122.820 -0.020 0.000 2.015 272 A HA -0.159 4.157 4.320 -0.008 0.000 0.219 272 A C 2.081 179.632 177.584 -0.055 0.000 1.163 272 A CA 1.334 53.350 52.037 -0.036 0.000 0.646 272 A CB -0.380 18.627 19.000 0.010 0.000 0.806 272 A HN 0.511 nan 8.150 nan 0.000 0.448 273 E N -0.129 120.056 120.200 -0.024 0.000 2.481 273 E HA -0.051 4.295 4.350 -0.008 0.000 0.195 273 E C 0.885 177.471 176.600 -0.024 0.000 1.047 273 E CA 0.072 56.461 56.400 -0.018 0.000 0.867 273 E CB -0.082 29.628 29.700 0.017 0.000 0.858 273 E HN 0.447 nan 8.360 nan 0.000 0.513 274 N N 0.950 119.636 118.700 -0.023 0.000 2.459 274 N HA -0.026 4.710 4.740 -0.008 0.000 0.181 274 N C 1.592 177.091 175.510 -0.019 0.000 1.046 274 N CA 0.447 53.498 53.050 0.003 0.000 0.904 274 N CB 0.062 38.552 38.487 0.005 0.000 0.964 274 N HN 0.244 nan 8.380 nan 0.000 0.444 275 I N 0.349 120.854 120.570 -0.109 0.000 2.264 275 I HA -0.243 3.922 4.170 -0.008 0.000 0.248 275 I C 1.301 177.347 176.117 -0.118 0.000 1.111 275 I CA 1.232 62.428 61.300 -0.174 0.000 1.382 275 I CB -0.158 37.596 38.000 -0.410 0.000 1.060 275 I HN 0.130 nan 8.210 nan 0.000 0.418 276 S N -0.583 115.041 115.700 -0.126 0.000 2.574 276 S HA 0.192 4.658 4.470 -0.008 0.000 0.242 276 S C 1.394 176.081 174.600 0.145 0.000 0.982 276 S CA -0.583 57.613 58.200 -0.007 0.000 0.977 276 S CB 0.329 63.511 63.200 -0.029 0.000 0.814 276 S HN 0.194 nan 8.310 nan 0.000 0.464 277 R N 1.305 121.908 120.500 0.172 0.000 2.057 277 R HA 0.264 4.600 4.340 -0.008 0.000 0.229 277 R C 0.456 177.004 176.300 0.412 0.000 1.136 277 R CA 1.301 57.556 56.100 0.258 0.000 0.952 277 R CB -0.285 30.148 30.300 0.222 0.000 0.848 277 R HN 0.415 nan 8.270 nan 0.000 0.430 278 V N 0.330 120.448 119.914 0.339 0.000 2.932 278 V HA 0.366 4.481 4.120 -0.008 0.000 0.307 278 V C -1.551 174.526 176.094 -0.028 0.000 1.147 278 V CA -1.398 61.048 62.300 0.243 0.000 0.951 278 V CB 1.771 33.670 31.823 0.127 0.000 1.031 278 V HN 0.189 nan 8.190 nan 0.000 0.426 279 L N 6.661 127.635 121.223 -0.414 0.000 2.410 279 L HA 0.457 4.792 4.340 -0.008 0.000 0.273 279 L C -0.827 175.864 176.870 -0.299 0.000 1.152 279 L CA 0.479 54.808 54.840 -0.852 0.000 0.855 279 L CB 0.385 41.838 42.059 -1.010 0.000 1.129 279 L HN 0.692 nan 8.230 nan 0.000 0.463 280 Y N 6.978 127.196 120.300 -0.137 0.000 2.544 280 Y HA 0.179 4.725 4.550 -0.008 0.000 0.330 280 Y C -1.292 174.607 175.900 -0.001 0.000 1.136 280 Y CA -1.083 57.011 58.100 -0.010 0.000 1.417 280 Y CB 0.399 38.881 38.460 0.035 0.000 1.229 280 Y HN 0.600 nan 8.280 nan 0.000 0.532 281 P HA -0.038 nan 4.420 nan 0.000 0.256 281 P C -0.643 176.806 177.300 0.249 0.000 1.335 281 P CA 0.324 63.559 63.100 0.225 0.000 0.808 281 P CB 0.166 32.076 31.700 0.350 0.000 1.305 282 N N 0.996 119.846 118.700 0.250 0.000 2.529 282 N HA 0.018 4.754 4.740 -0.008 0.000 0.278 282 N C 0.617 176.273 175.510 0.243 0.000 1.146 282 N CA 0.062 53.271 53.050 0.265 0.000 0.980 282 N CB 1.210 39.875 38.487 0.296 0.000 1.124 282 N HN -0.021 nan 8.380 nan 0.000 0.458 283 D N 1.168 121.736 120.400 0.280 0.000 2.306 283 D HA 0.038 4.674 4.640 -0.008 0.000 0.239 283 D C -0.267 176.200 176.300 0.278 0.000 1.105 283 D CA 1.076 55.234 54.000 0.262 0.000 0.950 283 D CB 0.142 41.117 40.800 0.292 0.000 1.036 283 D HN 0.406 nan 8.370 nan 0.000 0.428 284 N N -0.638 118.269 118.700 0.345 0.000 2.990 284 N HA 0.251 4.987 4.740 -0.008 0.000 0.288 284 N C -1.497 174.254 175.510 0.402 0.000 1.624 284 N CA -0.287 52.948 53.050 0.308 0.000 0.961 284 N CB 0.535 39.171 38.487 0.249 0.000 1.259 284 N HN 0.021 nan 8.380 nan 0.000 0.489 285 F N 1.422 121.473 119.950 0.168 0.000 2.787 285 F HA 0.341 4.864 4.527 -0.008 0.000 0.340 285 F C -1.470 174.401 175.800 0.118 0.000 1.232 285 F CA -1.277 56.798 58.000 0.125 0.000 1.051 285 F CB 0.598 39.635 39.000 0.061 0.000 1.330 285 F HN -0.013 nan 8.300 nan 0.000 0.522 286 F N 5.832 125.429 119.950 -0.589 0.000 2.456 286 F HA 0.329 4.852 4.527 -0.008 0.000 0.358 286 F C 0.869 176.265 175.800 -0.674 0.000 1.095 286 F CA 0.412 58.094 58.000 -0.529 0.000 1.216 286 F CB 1.134 39.843 39.000 -0.485 0.000 1.125 286 F HN 0.739 nan 8.300 nan 0.000 0.549 287 E N 2.922 122.499 120.200 -1.038 0.000 2.121 287 E HA 0.261 4.607 4.350 -0.008 0.000 0.194 287 E C 1.055 176.946 176.600 -1.182 0.000 0.940 287 E CA 0.732 56.638 56.400 -0.824 0.000 0.884 287 E CB 0.093 29.579 29.700 -0.358 0.000 0.874 287 E HN 0.928 nan 8.360 nan 0.000 0.471 288 G N 1.181 109.160 108.800 -1.367 0.000 2.141 288 G HA2 -0.146 3.809 3.960 -0.008 0.000 0.164 288 G HA3 -0.146 3.809 3.960 -0.008 0.000 0.164 288 G C -0.356 174.511 174.900 -0.054 0.000 1.009 288 G CA -0.326 44.234 45.100 -0.900 0.000 0.677 288 G HN -0.077 nan 8.290 nan 0.000 0.508 289 K N 0.821 121.180 120.400 -0.069 0.000 2.339 289 K HA 0.217 4.533 4.320 -0.008 0.000 0.286 289 K C 1.256 177.946 176.600 0.150 0.000 1.050 289 K CA -0.224 56.086 56.287 0.038 0.000 0.956 289 K CB 1.520 33.985 32.500 -0.058 0.000 0.990 289 K HN 0.508 nan 8.250 nan 0.000 0.475 290 E N 2.484 122.760 120.200 0.127 0.000 2.118 290 E HA -0.221 4.125 4.350 -0.008 0.000 0.195 290 E C 1.493 178.104 176.600 0.018 0.000 0.992 290 E CA 0.948 57.378 56.400 0.050 0.000 0.804 290 E CB 0.176 29.916 29.700 0.066 0.000 0.741 290 E HN 0.434 nan 8.360 nan 0.000 0.458 291 L N 1.303 122.585 121.223 0.098 0.000 2.083 291 L HA -0.162 4.174 4.340 -0.008 0.000 0.209 291 L C 2.454 179.437 176.870 0.188 0.000 1.083 291 L CA 1.778 56.700 54.840 0.137 0.000 0.752 291 L CB -0.488 41.717 42.059 0.243 0.000 0.899 291 L HN 0.011 nan 8.230 nan 0.000 0.433 292 R N -0.483 120.103 120.500 0.144 0.000 2.075 292 R HA -0.152 4.184 4.340 -0.008 0.000 0.232 292 R C 2.114 178.484 176.300 0.117 0.000 1.126 292 R CA 1.920 58.078 56.100 0.097 0.000 0.963 292 R CB -1.039 29.108 30.300 -0.254 0.000 0.858 292 R HN 0.421 nan 8.270 nan 0.000 0.435 293 L N 0.794 121.973 121.223 -0.073 0.000 2.046 293 L HA -0.060 4.275 4.340 -0.008 0.000 0.208 293 L C 1.788 178.610 176.870 -0.079 0.000 1.077 293 L CA 1.922 56.525 54.840 -0.396 0.000 0.747 293 L CB -0.400 41.071 42.059 -0.980 0.000 0.896 293 L HN 0.146 nan 8.230 nan 0.000 0.432 294 K N -0.952 119.443 120.400 -0.007 0.000 2.057 294 K HA -0.186 4.129 4.320 -0.008 0.000 0.207 294 K C 2.133 178.910 176.600 0.296 0.000 1.049 294 K CA 1.805 58.168 56.287 0.127 0.000 0.931 294 K CB -0.163 32.194 32.500 -0.239 0.000 0.714 294 K HN 0.496 nan 8.250 nan 0.000 0.440 295 Q N 0.432 120.362 119.800 0.217 0.000 2.084 295 Q HA -0.202 4.134 4.340 -0.008 0.000 0.202 295 Q C 1.933 178.141 176.000 0.347 0.000 0.978 295 Q CA 1.510 57.489 55.803 0.293 0.000 0.844 295 Q CB -0.016 28.916 28.738 0.323 0.000 0.898 295 Q HN 0.382 nan 8.270 nan 0.000 0.426 296 E N -0.196 120.168 120.200 0.274 0.000 2.051 296 E HA -0.212 4.133 4.350 -0.008 0.000 0.192 296 E C 1.750 178.478 176.600 0.212 0.000 0.991 296 E CA 1.065 57.612 56.400 0.245 0.000 0.799 296 E CB -0.155 29.674 29.700 0.215 0.000 0.748 296 E HN 0.313 nan 8.360 nan 0.000 0.449 297 Y N 0.499 120.859 120.300 0.100 0.000 2.200 297 Y HA -0.240 4.306 4.550 -0.008 0.000 0.290 297 Y C 1.982 177.918 175.900 0.061 0.000 1.137 297 Y CA 1.198 59.306 58.100 0.012 0.000 1.163 297 Y CB -0.454 37.976 38.460 -0.049 0.000 0.988 297 Y HN 0.039 nan 8.280 nan 0.000 0.518 298 F N -0.078 119.858 119.950 -0.023 0.000 2.087 298 F HA -0.286 4.236 4.527 -0.008 0.000 0.299 298 F C 2.113 177.767 175.800 -0.244 0.000 1.100 298 F CA 2.254 60.202 58.000 -0.086 0.000 1.226 298 F CB -0.830 38.279 39.000 0.181 0.000 0.983 298 F HN -0.113 nan 8.300 nan 0.000 0.479 299 V N -0.701 119.176 119.914 -0.062 0.000 2.427 299 V HA -0.237 3.878 4.120 -0.008 0.000 0.248 299 V C 2.350 178.336 176.094 -0.180 0.000 1.051 299 V CA 1.408 63.665 62.300 -0.072 0.000 1.048 299 V CB -0.574 31.398 31.823 0.250 0.000 0.666 299 V HN 0.296 nan 8.190 nan 0.000 0.456 300 V N 0.232 120.022 119.914 -0.207 0.000 2.283 300 V HA -0.195 3.920 4.120 -0.008 0.000 0.243 300 V C 2.713 178.570 176.094 -0.395 0.000 1.039 300 V CA 1.978 64.143 62.300 -0.226 0.000 1.016 300 V CB -0.961 30.776 31.823 -0.142 0.000 0.650 300 V HN 0.536 nan 8.190 nan 0.000 0.449 301 A N 0.028 122.433 122.820 -0.691 0.000 1.865 301 A HA -0.169 4.146 4.320 -0.008 0.000 0.217 301 A C 2.421 179.671 177.584 -0.556 0.000 1.191 301 A CA 2.387 54.031 52.037 -0.656 0.000 0.623 301 A CB -0.961 17.458 19.000 -0.969 0.000 0.826 301 A HN 0.575 nan 8.150 nan 0.000 0.444 302 A N -1.125 121.206 122.820 -0.814 0.000 1.858 302 A HA -0.103 4.213 4.320 -0.008 0.000 0.216 302 A C 2.326 179.552 177.584 -0.597 0.000 1.190 302 A CA 2.416 53.811 52.037 -1.070 0.000 0.617 302 A CB -1.455 16.177 19.000 -2.281 0.000 0.827 302 A HN 0.441 nan 8.150 nan 0.000 0.443 303 T N 0.185 114.527 114.554 -0.354 0.000 2.665 303 T HA -0.149 4.197 4.350 -0.008 0.000 0.268 303 T C 1.703 176.185 174.700 -0.363 0.000 1.035 303 T CA 1.716 63.707 62.100 -0.181 0.000 1.151 303 T CB -0.338 68.409 68.868 -0.201 0.000 0.862 303 T HN 0.208 nan 8.240 nan 0.000 0.438 304 L N 0.814 121.857 121.223 -0.300 0.000 2.201 304 L HA 0.025 4.361 4.340 -0.008 0.000 0.212 304 L C 2.595 179.362 176.870 -0.171 0.000 1.105 304 L CA 1.431 56.125 54.840 -0.243 0.000 0.775 304 L CB -0.668 41.286 42.059 -0.175 0.000 0.913 304 L HN 0.277 nan 8.230 nan 0.000 0.440 305 Q N -0.881 118.821 119.800 -0.163 0.000 2.079 305 Q HA -0.211 4.124 4.340 -0.008 0.000 0.200 305 Q C 1.730 177.707 176.000 -0.037 0.000 0.974 305 Q CA 1.478 57.229 55.803 -0.087 0.000 0.840 305 Q CB -0.007 28.662 28.738 -0.114 0.000 0.898 305 Q HN 0.411 nan 8.270 nan 0.000 0.430 306 D N 0.401 120.785 120.400 -0.026 0.000 2.123 306 D HA -0.135 4.501 4.640 -0.008 0.000 0.196 306 D C 1.710 177.961 176.300 -0.081 0.000 0.992 306 D CA 0.969 54.990 54.000 0.035 0.000 0.833 306 D CB -0.058 40.869 40.800 0.211 0.000 0.954 306 D HN 0.207 nan 8.370 nan 0.000 0.455 307 I N 0.461 120.873 120.570 -0.264 0.000 2.202 307 I HA -0.226 3.940 4.170 -0.008 0.000 0.242 307 I C 2.210 178.346 176.117 0.030 0.000 1.091 307 I CA 0.502 61.590 61.300 -0.352 0.000 1.368 307 I CB -0.069 37.564 38.000 -0.611 0.000 1.058 307 I HN 0.034 nan 8.210 nan 0.000 0.410 308 I N 0.655 121.293 120.570 0.114 0.000 2.226 308 I HA -0.287 3.878 4.170 -0.008 0.000 0.245 308 I C 2.687 178.978 176.117 0.290 0.000 1.100 308 I CA 1.534 63.018 61.300 0.307 0.000 1.374 308 I CB -1.167 36.948 38.000 0.192 0.000 1.057 308 I HN 0.328 nan 8.210 nan 0.000 0.413 309 R N 0.959 121.546 120.500 0.145 0.000 2.073 309 R HA -0.140 4.195 4.340 -0.008 0.000 0.234 309 R C 2.489 178.842 176.300 0.088 0.000 1.134 309 R CA 1.197 57.357 56.100 0.100 0.000 0.952 309 R CB -0.078 30.252 30.300 0.050 0.000 0.850 309 R HN 0.233 nan 8.270 nan 0.000 0.433 310 R N -0.144 120.407 120.500 0.084 0.000 2.091 310 R HA -0.181 4.155 4.340 -0.008 0.000 0.238 310 R C 2.226 178.594 176.300 0.114 0.000 1.136 310 R CA 1.569 57.715 56.100 0.078 0.000 0.959 310 R CB -0.771 29.571 30.300 0.071 0.000 0.856 310 R HN 0.297 nan 8.270 nan 0.000 0.437 311 F N 2.495 122.461 119.950 0.027 0.000 2.095 311 F HA -0.196 4.326 4.527 -0.008 0.000 0.298 311 F C 2.017 177.807 175.800 -0.017 0.000 1.104 311 F CA 1.562 59.569 58.000 0.012 0.000 1.232 311 F CB -0.143 38.926 39.000 0.115 0.000 0.987 311 F HN -0.168 nan 8.300 nan 0.000 0.475 312 K N 0.398 120.688 120.400 -0.183 0.000 2.147 312 K HA -0.075 4.240 4.320 -0.008 0.000 0.205 312 K C 1.204 177.661 176.600 -0.238 0.000 1.049 312 K CA 1.089 57.185 56.287 -0.319 0.000 0.936 312 K CB -0.417 32.033 32.500 -0.082 0.000 0.722 312 K HN 0.417 nan 8.250 nan 0.000 0.446 326 F N 2.598 122.736 119.950 0.313 0.000 2.583 326 F HA 0.102 4.625 4.527 -0.008 0.000 0.297 326 F C 1.687 177.556 175.800 0.114 0.000 1.131 326 F CA 0.745 58.856 58.000 0.185 0.000 1.467 326 F CB -0.287 38.712 39.000 -0.002 0.000 1.097 326 F HN 0.097 nan 8.300 nan 0.000 0.586 327 D N -0.165 120.382 120.400 0.245 0.000 2.183 327 D HA -0.024 4.612 4.640 -0.008 0.000 0.203 327 D C 2.120 178.512 176.300 0.154 0.000 0.969 327 D CA 1.081 55.178 54.000 0.162 0.000 0.842 327 D CB -0.079 40.790 40.800 0.115 0.000 0.957 327 D HN 0.200 nan 8.370 nan 0.000 0.484 328 A N -0.791 122.150 122.820 0.201 0.000 2.307 328 A HA 0.095 4.410 4.320 -0.008 0.000 0.218 328 A C 1.525 179.212 177.584 0.171 0.000 1.228 328 A CA -0.370 51.774 52.037 0.178 0.000 0.857 328 A CB -0.661 18.449 19.000 0.183 0.000 0.897 328 A HN 0.139 nan 8.150 nan 0.000 0.495 329 F N 2.095 121.988 119.950 -0.096 0.000 2.069 329 F HA -0.097 4.426 4.527 -0.007 0.000 0.298 329 F C -0.830 174.847 175.800 -0.205 0.000 1.113 329 F CA 2.283 60.014 58.000 -0.448 0.000 1.214 329 F CB -0.688 38.045 39.000 -0.445 0.000 0.978 329 F HN 0.198 nan 8.300 nan 0.000 0.474 330 P HA -0.096 nan 4.420 nan 0.000 0.225 330 P C 0.782 178.031 177.300 -0.084 0.000 1.148 330 P CA 1.491 64.561 63.100 -0.050 0.000 0.779 330 P CB -0.080 31.613 31.700 -0.011 0.000 0.780 331 D N -0.731 119.639 120.400 -0.050 0.000 2.277 331 D HA -0.042 4.593 4.640 -0.008 0.000 0.208 331 D C 1.502 177.776 176.300 -0.044 0.000 0.962 331 D CA 0.952 54.936 54.000 -0.028 0.000 0.865 331 D CB 0.014 40.820 40.800 0.009 0.000 0.939 331 D HN 0.187 nan 8.370 nan 0.000 0.510 332 K N -0.002 120.344 120.400 -0.090 0.000 2.373 332 K HA 0.210 4.525 4.320 -0.008 0.000 0.200 332 K C -0.056 176.435 176.600 -0.182 0.000 1.054 332 K CA 0.075 56.313 56.287 -0.082 0.000 1.065 332 K CB 2.392 34.928 32.500 0.060 0.000 0.886 332 K HN -0.053 nan 8.250 nan 0.000 0.546 333 V N 1.083 120.798 119.914 -0.331 0.000 2.638 333 V HA 0.595 4.711 4.120 -0.008 0.000 0.306 333 V C -1.095 174.915 176.094 -0.140 0.000 1.052 333 V CA -1.215 60.899 62.300 -0.310 0.000 0.885 333 V CB 1.829 33.146 31.823 -0.844 0.000 0.999 333 V HN 0.120 nan 8.190 nan 0.000 0.424 334 A N 5.674 128.477 122.820 -0.029 0.000 2.343 334 A HA 0.899 5.215 4.320 -0.008 0.000 0.308 334 A C -0.977 176.656 177.584 0.083 0.000 1.092 334 A CA -0.410 51.638 52.037 0.019 0.000 0.751 334 A CB 0.907 19.833 19.000 -0.124 0.000 1.203 334 A HN 0.774 nan 8.150 nan 0.000 0.452 335 I N 2.182 122.842 120.570 0.151 0.000 2.382 335 I HA 0.262 4.427 4.170 -0.008 0.000 0.285 335 I C -0.325 175.909 176.117 0.194 0.000 1.007 335 I CA -0.495 60.903 61.300 0.163 0.000 1.142 335 I CB 1.827 39.895 38.000 0.113 0.000 1.289 335 I HN 0.708 nan 8.210 nan 0.000 0.453 336 Q N 6.955 126.883 119.800 0.213 0.000 2.278 336 Q HA 0.511 4.846 4.340 -0.008 0.000 0.257 336 Q C -1.326 174.727 176.000 0.088 0.000 0.928 336 Q CA -0.246 55.728 55.803 0.284 0.000 0.932 336 Q CB 1.318 30.384 28.738 0.546 0.000 1.221 336 Q HN 0.558 nan 8.270 nan 0.000 0.434 337 L N 3.698 124.997 121.223 0.127 0.000 2.257 337 L HA 0.424 4.759 4.340 -0.008 0.000 0.290 337 L C 0.077 177.002 176.870 0.092 0.000 1.044 337 L CA -0.778 54.111 54.840 0.081 0.000 0.810 337 L CB 0.760 42.896 42.059 0.129 0.000 1.193 337 L HN 0.549 nan 8.230 nan 0.000 0.425 338 N N 4.474 123.139 118.700 -0.059 0.000 2.605 338 N HA 0.070 4.805 4.740 -0.008 0.000 0.258 338 N C -0.168 175.341 175.510 -0.001 0.000 1.156 338 N CA 0.551 53.605 53.050 0.006 0.000 1.008 338 N CB -0.186 38.206 38.487 -0.160 0.000 1.354 338 N HN 0.672 nan 8.380 nan 0.000 0.509 339 D N -0.494 120.009 120.400 0.172 0.000 3.905 339 D HA -0.218 4.417 4.640 -0.008 0.000 0.274 339 D C 0.296 176.646 176.300 0.084 0.000 2.034 339 D CA 1.470 55.540 54.000 0.117 0.000 1.180 339 D CB -0.601 39.939 40.800 -0.433 0.000 0.918 339 D HN 0.469 nan 8.370 nan 0.000 1.125 340 T N -2.479 112.034 114.554 -0.069 0.000 3.107 340 T HA 0.133 4.478 4.350 -0.008 0.000 0.249 340 T C 1.618 176.373 174.700 0.091 0.000 1.096 340 T CA 1.356 63.416 62.100 -0.068 0.000 1.012 340 T CB -0.464 68.342 68.868 -0.103 0.000 0.977 340 T HN 0.484 nan 8.240 nan 0.000 0.527 341 H N 2.739 121.883 119.070 0.123 0.000 2.319 341 H HA -0.024 4.527 4.556 -0.008 0.000 0.297 341 H C -0.797 174.622 175.328 0.151 0.000 1.097 341 H CA 1.232 57.380 56.048 0.165 0.000 1.285 341 H CB -0.878 28.979 29.762 0.159 0.000 1.368 341 H HN 0.431 nan 8.280 nan 0.000 0.495 342 P HA 0.082 nan 4.420 nan 0.000 0.259 342 P C 0.699 178.048 177.300 0.082 0.000 1.530 342 P CA 0.382 63.568 63.100 0.144 0.000 1.022 342 P CB 0.339 32.114 31.700 0.125 0.000 1.514 343 S N -0.237 115.502 115.700 0.065 0.000 2.440 343 S HA -0.126 4.340 4.470 -0.008 0.000 0.238 343 S C 1.774 176.384 174.600 0.017 0.000 1.010 343 S CA 0.731 58.929 58.200 -0.004 0.000 0.972 343 S CB -1.481 61.685 63.200 -0.055 0.000 0.774 343 S HN 0.152 nan 8.310 nan 0.000 0.501 344 L N 0.859 122.111 121.223 0.048 0.000 2.549 344 L HA 0.015 4.351 4.340 -0.008 0.000 0.230 344 L C 2.840 179.756 176.870 0.078 0.000 1.162 344 L CA 0.684 55.554 54.840 0.051 0.000 0.834 344 L CB -0.672 41.419 42.059 0.054 0.000 0.947 344 L HN 0.495 nan 8.230 nan 0.000 0.452 345 A N 0.013 122.859 122.820 0.044 0.000 2.067 345 A HA -0.130 4.186 4.320 -0.008 0.000 0.219 345 A C 2.124 179.717 177.584 0.016 0.000 1.158 345 A CA 1.114 53.163 52.037 0.020 0.000 0.661 345 A CB -0.328 18.672 19.000 -0.001 0.000 0.801 345 A HN 0.343 nan 8.150 nan 0.000 0.452 346 I N 0.342 120.927 120.570 0.024 0.000 2.162 346 I HA -0.101 4.065 4.170 -0.008 0.000 0.238 346 I C -0.383 175.769 176.117 0.058 0.000 1.076 346 I CA 1.343 62.657 61.300 0.025 0.000 1.353 346 I CB -0.575 37.449 38.000 0.040 0.000 1.063 346 I HN 0.215 nan 8.210 nan 0.000 0.408 347 P HA -0.164 nan 4.420 nan 0.000 0.221 347 P C 1.296 178.625 177.300 0.050 0.000 1.150 347 P CA 1.429 64.576 63.100 0.078 0.000 0.800 347 P CB 0.060 31.834 31.700 0.123 0.000 0.787 348 E N 0.448 120.752 120.200 0.173 0.000 2.072 348 E HA -0.161 4.184 4.350 -0.008 0.000 0.191 348 E C 1.920 178.516 176.600 -0.006 0.000 0.985 348 E CA 0.765 57.285 56.400 0.200 0.000 0.801 348 E CB -1.275 28.580 29.700 0.259 0.000 0.750 348 E HN 0.007 nan 8.360 nan 0.000 0.452 349 L N -0.097 121.090 121.223 -0.059 0.000 2.083 349 L HA -0.074 4.262 4.340 -0.008 0.000 0.209 349 L C 2.062 178.789 176.870 -0.239 0.000 1.083 349 L CA 1.726 56.468 54.840 -0.163 0.000 0.752 349 L CB -0.548 41.413 42.059 -0.162 0.000 0.899 349 L HN 0.236 nan 8.230 nan 0.000 0.433 350 M N -0.798 118.679 119.600 -0.204 0.000 2.132 350 M HA -0.166 4.310 4.480 -0.008 0.000 0.263 350 M C 2.424 178.548 176.300 -0.293 0.000 1.065 350 M CA 1.421 56.541 55.300 -0.300 0.000 1.122 350 M CB -1.097 31.311 32.600 -0.319 0.000 1.365 350 M HN 0.328 nan 8.290 nan 0.000 0.411 351 R N -0.114 120.246 120.500 -0.233 0.000 2.083 351 R HA -0.140 4.195 4.340 -0.008 0.000 0.237 351 R C 2.069 178.263 176.300 -0.177 0.000 1.137 351 R CA 1.690 57.657 56.100 -0.222 0.000 0.951 351 R CB -0.240 29.884 30.300 -0.295 0.000 0.851 351 R HN 0.192 nan 8.270 nan 0.000 0.434 352 V N 1.511 121.321 119.914 -0.172 0.000 2.255 352 V HA -0.278 3.837 4.120 -0.008 0.000 0.247 352 V C 2.426 178.360 176.094 -0.267 0.000 1.051 352 V CA 1.926 64.119 62.300 -0.178 0.000 1.018 352 V CB -0.438 31.277 31.823 -0.180 0.000 0.641 352 V HN 0.350 nan 8.190 nan 0.000 0.445 353 L N -0.709 120.281 121.223 -0.389 0.000 2.083 353 L HA -0.146 4.190 4.340 -0.008 0.000 0.209 353 L C 2.335 179.007 176.870 -0.330 0.000 1.083 353 L CA 1.081 55.615 54.840 -0.511 0.000 0.752 353 L CB -0.634 41.063 42.059 -0.603 0.000 0.899 353 L HN 0.205 nan 8.230 nan 0.000 0.433 354 V N -0.707 119.059 119.914 -0.247 0.000 2.341 354 V HA -0.159 3.956 4.120 -0.008 0.000 0.240 354 V C 2.007 178.055 176.094 -0.076 0.000 1.035 354 V CA 1.585 63.804 62.300 -0.135 0.000 1.033 354 V CB -0.312 31.454 31.823 -0.095 0.000 0.678 354 V HN 0.320 nan 8.190 nan 0.000 0.464 355 D N 0.293 120.645 120.400 -0.079 0.000 2.097 355 D HA -0.063 4.572 4.640 -0.008 0.000 0.197 355 D C 2.012 178.287 176.300 -0.042 0.000 0.984 355 D CA 1.389 55.362 54.000 -0.046 0.000 0.826 355 D CB -0.058 40.712 40.800 -0.051 0.000 0.973 355 D HN 0.332 nan 8.370 nan 0.000 0.460 356 L N 0.133 121.317 121.223 -0.065 0.000 2.357 356 L HA 0.126 4.461 4.340 -0.008 0.000 0.211 356 L C 1.721 178.568 176.870 -0.039 0.000 1.075 356 L CA 0.515 55.330 54.840 -0.043 0.000 0.830 356 L CB 0.067 42.103 42.059 -0.038 0.000 0.996 356 L HN -0.167 nan 8.230 nan 0.000 0.467 357 E N 0.072 120.216 120.200 -0.094 0.000 2.472 357 E HA 0.062 4.407 4.350 -0.008 0.000 0.196 357 E C -0.046 176.530 176.600 -0.040 0.000 1.033 357 E CA -0.112 56.246 56.400 -0.069 0.000 0.886 357 E CB 0.443 29.989 29.700 -0.257 0.000 0.944 357 E HN 0.116 nan 8.360 nan 0.000 0.492 358 R N 0.170 120.639 120.500 -0.052 0.000 3.531 358 R HA -0.155 4.181 4.340 -0.008 0.000 0.280 358 R C -0.265 176.025 176.300 -0.017 0.000 1.130 358 R CA 0.364 56.454 56.100 -0.017 0.000 0.757 358 R CB -3.018 27.291 30.300 0.015 0.000 1.218 358 R HN 0.225 nan 8.270 nan 0.000 0.454 359 L N 1.534 122.714 121.223 -0.071 0.000 2.375 359 L HA 0.245 4.580 4.340 -0.008 0.000 0.271 359 L C 1.379 178.240 176.870 -0.016 0.000 1.107 359 L CA -0.546 54.260 54.840 -0.056 0.000 0.806 359 L CB 0.826 42.794 42.059 -0.152 0.000 1.146 359 L HN 0.190 nan 8.230 nan 0.000 0.447 360 D N 1.215 121.633 120.400 0.030 0.000 2.399 360 D HA -0.143 4.493 4.640 -0.008 0.000 0.241 360 D C 0.900 177.269 176.300 0.115 0.000 1.133 360 D CA -0.474 53.578 54.000 0.086 0.000 0.890 360 D CB 1.252 42.108 40.800 0.093 0.000 1.201 360 D HN 0.659 nan 8.370 nan 0.000 0.432 361 W N 2.526 123.830 121.300 0.007 0.000 2.304 361 W HA -0.255 4.400 4.660 -0.007 0.000 0.315 361 W C 1.003 177.568 176.519 0.077 0.000 1.233 361 W CA 1.995 59.353 57.345 0.021 0.000 1.261 361 W CB -0.280 29.175 29.460 -0.007 0.000 1.150 361 W HN 0.487 nan 8.180 nan 0.000 0.494 362 D N 0.237 120.849 120.400 0.353 0.000 2.117 362 D HA -0.197 4.438 4.640 -0.008 0.000 0.197 362 D C 1.928 178.333 176.300 0.175 0.000 0.987 362 D CA 2.037 56.214 54.000 0.296 0.000 0.829 362 D CB -0.414 40.525 40.800 0.232 0.000 0.961 362 D HN 0.059 nan 8.370 nan 0.000 0.460 363 K N 1.332 121.790 120.400 0.098 0.000 2.057 363 K HA 0.014 4.330 4.320 -0.008 0.000 0.206 363 K C 1.810 178.397 176.600 -0.022 0.000 1.050 363 K CA 1.531 57.845 56.287 0.046 0.000 0.935 363 K CB -0.671 31.852 32.500 0.039 0.000 0.715 363 K HN -0.010 nan 8.250 nan 0.000 0.439 364 A N 0.679 123.447 122.820 -0.088 0.000 1.908 364 A HA -0.187 4.128 4.320 -0.008 0.000 0.218 364 A C 2.292 179.769 177.584 -0.178 0.000 1.181 364 A CA 1.551 53.460 52.037 -0.213 0.000 0.627 364 A CB -1.238 17.570 19.000 -0.320 0.000 0.818 364 A HN 0.699 nan 8.150 nan 0.000 0.445 365 W N 0.756 121.858 121.300 -0.331 0.000 2.381 365 W HA -0.170 4.485 4.660 -0.007 0.000 0.301 365 W C 2.011 178.475 176.519 -0.092 0.000 1.205 365 W CA 1.756 58.957 57.345 -0.241 0.000 1.285 365 W CB -0.099 29.269 29.460 -0.154 0.000 1.133 365 W HN 0.650 nan 8.180 nan 0.000 0.521 366 E N 0.279 120.448 120.200 -0.052 0.000 2.085 366 E HA -0.226 4.120 4.350 -0.008 0.000 0.194 366 E C 1.983 178.486 176.600 -0.160 0.000 0.994 366 E CA 1.987 58.327 56.400 -0.101 0.000 0.801 366 E CB -0.441 29.264 29.700 0.008 0.000 0.743 366 E HN 0.057 nan 8.360 nan 0.000 0.453 367 V N 0.928 120.759 119.914 -0.138 0.000 2.295 367 V HA -0.256 3.859 4.120 -0.008 0.000 0.246 367 V C 2.408 178.409 176.094 -0.154 0.000 1.049 367 V CA 2.184 64.418 62.300 -0.111 0.000 1.024 367 V CB -0.799 30.934 31.823 -0.149 0.000 0.648 367 V HN 0.421 nan 8.190 nan 0.000 0.447 368 T N 0.084 114.470 114.554 -0.281 0.000 2.622 368 T HA -0.208 4.138 4.350 -0.008 0.000 0.266 368 T C 1.953 176.451 174.700 -0.337 0.000 1.047 368 T CA 1.907 63.816 62.100 -0.318 0.000 1.159 368 T CB -0.402 68.213 68.868 -0.422 0.000 0.863 368 T HN 0.251 nan 8.240 nan 0.000 0.422 369 V N 1.482 121.051 119.914 -0.574 0.000 2.324 369 V HA -0.215 3.901 4.120 -0.008 0.000 0.250 369 V C 2.368 178.409 176.094 -0.088 0.000 1.060 369 V CA 1.747 63.797 62.300 -0.416 0.000 1.042 369 V CB -0.527 30.979 31.823 -0.527 0.000 0.650 369 V HN 0.478 nan 8.190 nan 0.000 0.450 370 K N -0.668 119.657 120.400 -0.125 0.000 2.362 370 K HA -0.079 4.236 4.320 -0.008 0.000 0.200 370 K C 2.011 178.561 176.600 -0.083 0.000 1.046 370 K CA 1.441 57.635 56.287 -0.156 0.000 0.952 370 K CB -0.154 32.252 32.500 -0.157 0.000 0.753 370 K HN 0.502 nan 8.250 nan 0.000 0.466 371 T N 0.023 114.601 114.554 0.041 0.000 3.010 371 T HA 0.033 4.378 4.350 -0.008 0.000 0.252 371 T C 0.880 175.698 174.700 0.197 0.000 1.047 371 T CA 0.319 62.489 62.100 0.116 0.000 1.140 371 T CB 0.123 69.100 68.868 0.181 0.000 0.885 371 T HN 0.160 nan 8.240 nan 0.000 0.464 372 C N 2.478 121.874 119.300 0.161 0.000 2.401 372 C HA 0.878 5.333 4.460 -0.008 0.000 0.365 372 C C 0.594 175.649 174.990 0.110 0.000 1.250 372 C CA -1.306 57.791 59.018 0.132 0.000 2.131 372 C CB -0.016 27.739 27.740 0.024 0.000 2.445 372 C HN 0.586 nan 8.230 nan 0.000 0.550 373 A N 2.001 124.879 122.820 0.096 0.000 2.449 373 A HA 0.734 5.049 4.320 -0.008 0.000 0.302 373 A C -1.514 176.151 177.584 0.135 0.000 1.048 373 A CA -0.366 51.668 52.037 -0.005 0.000 0.708 373 A CB 1.048 20.062 19.000 0.024 0.000 1.274 373 A HN 0.896 nan 8.150 nan 0.000 0.410 374 Y N 1.144 121.397 120.300 -0.078 0.000 2.393 374 Y HA 0.695 5.240 4.550 -0.007 0.000 0.341 374 Y C -0.528 175.369 175.900 -0.005 0.000 0.988 374 Y CA -0.738 57.334 58.100 -0.047 0.000 1.078 374 Y CB 2.020 40.401 38.460 -0.131 0.000 1.203 374 Y HN 0.524 nan 8.280 nan 0.000 0.453 375 T N 7.009 121.478 114.554 -0.141 0.000 2.772 375 T HA 0.218 4.564 4.350 -0.008 0.000 0.288 375 T C -0.666 173.777 174.700 -0.428 0.000 0.994 375 T CA -0.800 61.153 62.100 -0.246 0.000 0.951 375 T CB 0.151 69.103 68.868 0.141 0.000 0.933 375 T HN 0.661 nan 8.240 nan 0.000 0.447 376 N N 1.897 120.243 118.700 -0.591 0.000 2.499 376 N HA 0.117 4.853 4.740 -0.008 0.000 0.281 376 N C 0.249 175.766 175.510 0.012 0.000 1.098 376 N CA -0.208 52.719 53.050 -0.205 0.000 0.979 376 N CB 0.728 39.173 38.487 -0.070 0.000 1.121 376 N HN 0.677 nan 8.380 nan 0.000 0.466 377 H N 1.001 120.119 119.070 0.081 0.000 2.827 377 H HA 0.140 4.691 4.556 -0.008 0.000 0.269 377 H C -0.146 175.108 175.328 -0.124 0.000 1.031 377 H CA 0.083 56.122 56.048 -0.016 0.000 1.202 377 H CB 1.235 30.998 29.762 0.001 0.000 1.511 377 H HN 0.507 nan 8.280 nan 0.000 0.517 378 T N 0.058 114.663 114.554 0.086 0.000 2.830 378 T HA 0.214 4.559 4.350 -0.008 0.000 0.322 378 T C 0.607 175.372 174.700 0.107 0.000 1.501 378 T CA -0.382 61.715 62.100 -0.004 0.000 1.036 378 T CB 1.338 70.199 68.868 -0.011 0.000 1.379 378 T HN -0.046 nan 8.240 nan 0.000 0.493 379 V N 1.240 121.176 119.914 0.037 0.000 3.621 379 V HA 0.560 4.676 4.120 -0.008 0.000 0.263 379 V C 1.088 177.170 176.094 -0.020 0.000 1.272 379 V CA 0.120 62.435 62.300 0.025 0.000 1.080 379 V CB -0.574 31.256 31.823 0.012 0.000 0.816 379 V HN 0.767 nan 8.190 nan 0.000 0.451 380 I N 3.929 124.470 120.570 -0.050 0.000 2.742 380 I HA 0.073 4.238 4.170 -0.008 0.000 0.287 380 I C -0.357 175.772 176.117 0.020 0.000 1.186 380 I CA -0.728 60.560 61.300 -0.020 0.000 1.417 380 I CB 0.926 38.889 38.000 -0.062 0.000 1.377 380 I HN 0.161 nan 8.210 nan 0.000 0.556 381 P HA -0.233 nan 4.420 nan 0.000 0.218 381 P C 0.833 178.140 177.300 0.011 0.000 1.148 381 P CA 1.379 64.487 63.100 0.013 0.000 0.822 381 P CB -0.066 31.643 31.700 0.014 0.000 0.784 382 E N -0.155 120.080 120.200 0.060 0.000 2.511 382 E HA 0.049 4.394 4.350 -0.008 0.000 0.196 382 E C 1.425 178.010 176.600 -0.024 0.000 1.066 382 E CA 0.591 57.005 56.400 0.025 0.000 0.871 382 E CB -0.422 29.383 29.700 0.175 0.000 0.863 382 E HN 0.194 nan 8.360 nan 0.000 0.520 383 A N 1.119 123.956 122.820 0.029 0.000 2.115 383 A HA 0.227 4.542 4.320 -0.008 0.000 0.211 383 A C 1.299 178.868 177.584 -0.024 0.000 1.169 383 A CA -0.329 51.740 52.037 0.053 0.000 0.787 383 A CB -0.011 19.046 19.000 0.095 0.000 0.858 383 A HN 0.181 nan 8.150 nan 0.000 0.474 384 L N 1.740 122.905 121.223 -0.097 0.000 2.490 384 L HA 0.058 4.393 4.340 -0.008 0.000 0.274 384 L C -0.103 176.394 176.870 -0.622 0.000 1.201 384 L CA 0.062 54.770 54.840 -0.222 0.000 0.869 384 L CB 0.374 42.337 42.059 -0.160 0.000 1.123 384 L HN 0.365 nan 8.230 nan 0.000 0.484 385 E N 4.591 124.334 120.200 -0.761 0.000 2.105 385 E HA 0.252 4.597 4.350 -0.008 0.000 0.285 385 E C -0.704 175.176 176.600 -1.200 0.000 1.055 385 E CA -0.339 55.142 56.400 -1.532 0.000 0.843 385 E CB 0.751 29.942 29.700 -0.848 0.000 1.067 385 E HN 0.421 nan 8.360 nan 0.000 0.398 386 R N 3.645 123.292 120.500 -1.421 0.000 2.415 386 R HA 0.220 4.555 4.340 -0.008 0.000 0.292 386 R C -1.169 174.905 176.300 -0.377 0.000 1.295 386 R CA -0.594 55.146 56.100 -0.601 0.000 1.137 386 R CB 0.706 30.806 30.300 -0.334 0.000 1.135 386 R HN 0.423 nan 8.270 nan 0.000 0.560 387 W N 4.141 125.385 121.300 -0.094 0.000 2.266 387 W HA 0.258 4.913 4.660 -0.008 0.000 0.317 387 W C -1.907 174.574 176.519 -0.063 0.000 1.310 387 W CA -2.254 55.100 57.345 0.014 0.000 1.207 387 W CB 0.488 29.938 29.460 -0.017 0.000 1.199 387 W HN 0.242 nan 8.180 nan 0.000 0.544 388 P HA -0.106 nan 4.420 nan 0.000 0.264 388 P C 0.925 178.133 177.300 -0.152 0.000 1.193 388 P CA 0.170 63.203 63.100 -0.110 0.000 0.763 388 P CB 0.636 32.082 31.700 -0.423 0.000 0.810 389 V N 2.780 122.666 119.914 -0.045 0.000 2.469 389 V HA -0.310 3.805 4.120 -0.008 0.000 0.251 389 V C 2.017 178.118 176.094 0.012 0.000 1.064 389 V CA 2.084 64.384 62.300 0.001 0.000 1.066 389 V CB -1.834 30.053 31.823 0.107 0.000 0.667 389 V HN 0.702 nan 8.190 nan 0.000 0.461 390 H N 0.368 119.498 119.070 0.100 0.000 2.387 390 H HA -0.121 4.431 4.556 -0.008 0.000 0.299 390 H C 2.287 177.666 175.328 0.084 0.000 1.090 390 H CA 1.893 57.996 56.048 0.091 0.000 1.332 390 H CB -0.193 29.623 29.762 0.090 0.000 1.386 390 H HN 0.541 nan 8.280 nan 0.000 0.516 391 L N 0.620 121.757 121.223 -0.143 0.000 2.156 391 L HA -0.047 4.288 4.340 -0.008 0.000 0.208 391 L C 2.346 179.202 176.870 -0.023 0.000 1.095 391 L CA 0.670 55.530 54.840 0.033 0.000 0.770 391 L CB -0.135 41.900 42.059 -0.040 0.000 0.914 391 L HN 0.186 nan 8.230 nan 0.000 0.439 392 L N -0.403 120.776 121.223 -0.074 0.000 2.131 392 L HA -0.144 4.191 4.340 -0.008 0.000 0.206 392 L C 2.523 179.344 176.870 -0.082 0.000 1.087 392 L CA 1.193 55.955 54.840 -0.129 0.000 0.767 392 L CB -0.425 41.548 42.059 -0.143 0.000 0.917 392 L HN 0.355 nan 8.230 nan 0.000 0.441 393 E N -0.277 119.917 120.200 -0.010 0.000 2.110 393 E HA -0.202 4.144 4.350 -0.008 0.000 0.193 393 E C 1.868 178.511 176.600 0.072 0.000 0.988 393 E CA 1.770 58.188 56.400 0.031 0.000 0.804 393 E CB 0.168 29.924 29.700 0.094 0.000 0.745 393 E HN 0.383 nan 8.360 nan 0.000 0.458 394 T N 1.080 115.706 114.554 0.120 0.000 2.732 394 T HA -0.111 4.234 4.350 -0.008 0.000 0.261 394 T C 1.774 176.605 174.700 0.219 0.000 1.040 394 T CA 0.998 63.219 62.100 0.202 0.000 1.145 394 T CB -0.241 68.778 68.868 0.251 0.000 0.866 394 T HN 0.102 nan 8.240 nan 0.000 0.427 395 L N 0.157 121.416 121.223 0.060 0.000 2.109 395 L HA 0.245 4.580 4.340 -0.008 0.000 0.207 395 L C 0.350 177.163 176.870 -0.094 0.000 1.086 395 L CA 1.660 56.404 54.840 -0.159 0.000 0.760 395 L CB -0.068 41.847 42.059 -0.241 0.000 0.910 395 L HN 0.206 nan 8.230 nan 0.000 0.437 396 L N 0.087 121.220 121.223 -0.149 0.000 2.511 396 L HA 0.291 4.626 4.340 -0.008 0.000 0.252 396 L C -1.706 174.983 176.870 -0.300 0.000 1.542 396 L CA -1.019 53.643 54.840 -0.297 0.000 0.822 396 L CB 0.811 42.546 42.059 -0.540 0.000 1.050 396 L HN -0.121 nan 8.230 nan 0.000 0.516 397 P HA -0.241 nan 4.420 nan 0.000 0.216 397 P C 1.449 178.559 177.300 -0.318 0.000 1.154 397 P CA 1.326 64.310 63.100 -0.194 0.000 0.865 397 P CB 0.376 32.034 31.700 -0.070 0.000 0.789 398 R N -0.481 119.635 120.500 -0.639 0.000 2.115 398 R HA -0.113 4.222 4.340 -0.008 0.000 0.226 398 R C 2.270 178.252 176.300 -0.529 0.000 1.100 398 R CA 1.525 57.257 56.100 -0.613 0.000 0.980 398 R CB -1.589 28.168 30.300 -0.905 0.000 0.875 398 R HN 0.270 nan 8.270 nan 0.000 0.445 399 H N -0.779 117.987 119.070 -0.507 0.000 2.395 399 H HA -0.028 4.524 4.556 -0.008 0.000 0.299 399 H C 1.537 176.705 175.328 -0.266 0.000 1.070 399 H CA 1.527 57.362 56.048 -0.354 0.000 1.356 399 H CB -0.094 29.421 29.762 -0.413 0.000 1.401 399 H HN 0.104 nan 8.280 nan 0.000 0.524 400 L N 0.810 121.923 121.223 -0.184 0.000 2.046 400 L HA -0.184 4.152 4.340 -0.008 0.000 0.208 400 L C 1.893 178.601 176.870 -0.271 0.000 1.077 400 L CA 1.623 56.292 54.840 -0.285 0.000 0.747 400 L CB -0.438 41.469 42.059 -0.253 0.000 0.896 400 L HN 0.267 nan 8.230 nan 0.000 0.432 401 Q N -0.618 119.121 119.800 -0.101 0.000 2.084 401 Q HA -0.200 4.135 4.340 -0.008 0.000 0.202 401 Q C 2.308 178.340 176.000 0.052 0.000 0.978 401 Q CA 2.031 57.860 55.803 0.043 0.000 0.844 401 Q CB -0.226 28.541 28.738 0.048 0.000 0.898 401 Q HN 0.574 nan 8.270 nan 0.000 0.426 402 I N 0.268 120.851 120.570 0.021 0.000 2.315 402 I HA -0.246 3.920 4.170 -0.008 0.000 0.248 402 I C 2.127 178.332 176.117 0.146 0.000 1.117 402 I CA 0.852 62.258 61.300 0.176 0.000 1.404 402 I CB -0.080 37.963 38.000 0.071 0.000 1.071 402 I HN 0.185 nan 8.210 nan 0.000 0.419 403 I N -0.403 120.163 120.570 -0.007 0.000 2.226 403 I HA -0.319 3.847 4.170 -0.008 0.000 0.245 403 I C 2.333 178.452 176.117 0.003 0.000 1.100 403 I CA 1.439 62.713 61.300 -0.044 0.000 1.374 403 I CB -0.269 37.631 38.000 -0.167 0.000 1.057 403 I HN 0.156 nan 8.210 nan 0.000 0.413 404 Y N 0.621 120.927 120.300 0.009 0.000 2.242 404 Y HA -0.249 4.296 4.550 -0.008 0.000 0.291 404 Y C 2.555 178.417 175.900 -0.065 0.000 1.137 404 Y CA 1.404 59.493 58.100 -0.018 0.000 1.181 404 Y CB -0.648 37.794 38.460 -0.030 0.000 0.989 404 Y HN 0.195 nan 8.280 nan 0.000 0.527 405 E N 0.347 120.580 120.200 0.054 0.000 2.072 405 E HA -0.122 4.223 4.350 -0.008 0.000 0.190 405 E C 2.095 178.605 176.600 -0.149 0.000 0.982 405 E CA 1.108 57.389 56.400 -0.198 0.000 0.803 405 E CB -0.523 28.841 29.700 -0.560 0.000 0.755 405 E HN 0.459 nan 8.360 nan 0.000 0.453 406 I N 0.674 121.258 120.570 0.022 0.000 2.179 406 I HA -0.296 3.870 4.170 -0.008 0.000 0.242 406 I C 2.250 178.352 176.117 -0.026 0.000 1.088 406 I CA 1.389 62.629 61.300 -0.099 0.000 1.357 406 I CB -0.363 37.560 38.000 -0.129 0.000 1.051 406 I HN 0.219 nan 8.210 nan 0.000 0.409 407 N N 0.582 119.326 118.700 0.072 0.000 2.043 407 N HA -0.284 4.451 4.740 -0.008 0.000 0.193 407 N C 1.820 177.421 175.510 0.152 0.000 1.037 407 N CA 1.650 54.803 53.050 0.172 0.000 0.851 407 N CB -0.153 38.454 38.487 0.199 0.000 1.027 407 N HN 0.181 nan 8.380 nan 0.000 0.422 408 Q N 0.725 120.558 119.800 0.055 0.000 2.045 408 Q HA -0.065 4.271 4.340 -0.008 0.000 0.206 408 Q C 2.007 177.998 176.000 -0.014 0.000 0.991 408 Q CA 1.841 57.642 55.803 -0.003 0.000 0.851 408 Q CB -0.204 28.488 28.738 -0.075 0.000 0.911 408 Q HN 0.379 nan 8.270 nan 0.000 0.418 409 R N -1.104 119.366 120.500 -0.051 0.000 2.096 409 R HA -0.105 4.231 4.340 -0.008 0.000 0.235 409 R C 2.187 178.516 176.300 0.048 0.000 1.127 409 R CA 1.232 57.305 56.100 -0.045 0.000 0.968 409 R CB -0.506 29.725 30.300 -0.114 0.000 0.861 409 R HN 0.297 nan 8.270 nan 0.000 0.440 410 F N 1.481 121.414 119.950 -0.027 0.000 2.113 410 F HA -0.104 4.419 4.527 -0.008 0.000 0.297 410 F C 1.836 177.677 175.800 0.068 0.000 1.103 410 F CA 1.349 59.386 58.000 0.061 0.000 1.248 410 F CB -0.255 38.809 39.000 0.107 0.000 0.999 410 F HN -0.123 nan 8.300 nan 0.000 0.475 411 L N 0.142 121.348 121.223 -0.028 0.000 2.131 411 L HA -0.244 4.091 4.340 -0.008 0.000 0.210 411 L C 2.121 178.913 176.870 -0.131 0.000 1.092 411 L CA 1.213 55.980 54.840 -0.121 0.000 0.759 411 L CB -0.875 41.198 42.059 0.024 0.000 0.903 411 L HN 0.170 nan 8.230 nan 0.000 0.435 412 N N 0.293 118.946 118.700 -0.079 0.000 2.149 412 N HA -0.158 4.577 4.740 -0.008 0.000 0.188 412 N C 1.896 177.356 175.510 -0.084 0.000 1.019 412 N CA 1.159 54.169 53.050 -0.067 0.000 0.857 412 N CB -0.106 38.351 38.487 -0.050 0.000 0.997 412 N HN 0.254 nan 8.380 nan 0.000 0.426 413 R N -0.234 120.194 120.500 -0.119 0.000 2.073 413 R HA 0.039 4.374 4.340 -0.008 0.000 0.229 413 R C 2.007 178.218 176.300 -0.149 0.000 1.120 413 R CA 0.704 56.736 56.100 -0.114 0.000 0.967 413 R CB -0.315 29.927 30.300 -0.095 0.000 0.862 413 R HN 0.043 nan 8.270 nan 0.000 0.436 414 V N 1.062 120.829 119.914 -0.244 0.000 2.295 414 V HA -0.241 3.874 4.120 -0.008 0.000 0.246 414 V C 2.422 178.520 176.094 0.007 0.000 1.049 414 V CA 2.009 64.234 62.300 -0.125 0.000 1.024 414 V CB -0.662 31.011 31.823 -0.251 0.000 0.648 414 V HN 0.404 nan 8.190 nan 0.000 0.447 415 A N -0.133 122.661 122.820 -0.043 0.000 1.972 415 A HA -0.107 4.209 4.320 -0.008 0.000 0.219 415 A C 2.319 179.887 177.584 -0.028 0.000 1.169 415 A CA 2.027 54.056 52.037 -0.013 0.000 0.635 415 A CB -0.619 18.363 19.000 -0.030 0.000 0.810 415 A HN 0.591 nan 8.150 nan 0.000 0.446 416 A N -0.925 121.859 122.820 -0.059 0.000 2.067 416 A HA 0.400 4.716 4.320 -0.008 0.000 0.217 416 A C 2.219 179.720 177.584 -0.138 0.000 1.156 416 A CA 1.473 53.463 52.037 -0.078 0.000 0.683 416 A CB -0.473 18.487 19.000 -0.066 0.000 0.808 416 A HN 0.913 nan 8.150 nan 0.000 0.455 417 A N -1.661 121.040 122.820 -0.199 0.000 2.044 417 A HA 0.479 4.795 4.320 -0.008 0.000 0.213 417 A C 0.282 177.387 177.584 -0.799 0.000 1.169 417 A CA 0.372 52.120 52.037 -0.482 0.000 0.724 417 A CB 0.024 18.704 19.000 -0.533 0.000 0.840 417 A HN 0.385 nan 8.150 nan 0.000 0.463 418 F N 0.189 120.097 119.950 -0.071 0.000 2.710 418 F HA 0.345 4.867 4.527 -0.008 0.000 0.345 418 F C -2.837 172.929 175.800 -0.057 0.000 1.362 418 F CA -2.769 55.193 58.000 -0.063 0.000 1.175 418 F CB 0.928 39.883 39.000 -0.075 0.000 1.561 418 F HN -0.080 nan 8.300 nan 0.000 0.593 419 P HA 0.198 nan 4.420 nan 0.000 0.263 419 P C 1.012 178.334 177.300 0.037 0.000 1.195 419 P CA 1.059 64.173 63.100 0.023 0.000 0.762 419 P CB 0.888 32.583 31.700 -0.009 0.000 0.799 420 G N 2.665 111.480 108.800 0.024 0.000 2.225 420 G HA2 -0.241 3.715 3.960 -0.008 0.000 0.254 420 G HA3 -0.241 3.715 3.960 -0.008 0.000 0.254 420 G C 0.330 175.241 174.900 0.018 0.000 0.988 420 G CA -0.019 45.091 45.100 0.017 0.000 0.625 420 G HN 0.592 nan 8.290 nan 0.000 0.527 421 D N 1.271 121.691 120.400 0.034 0.000 2.508 421 D HA 0.448 5.083 4.640 -0.008 0.000 0.224 421 D C 1.688 177.978 176.300 -0.016 0.000 1.171 421 D CA 0.177 54.180 54.000 0.006 0.000 1.006 421 D CB 0.607 41.408 40.800 0.002 0.000 1.073 421 D HN 0.094 nan 8.370 nan 0.000 0.513 422 V N 2.658 122.563 119.914 -0.014 0.000 2.427 422 V HA -0.199 3.917 4.120 -0.008 0.000 0.248 422 V C 1.969 178.050 176.094 -0.022 0.000 1.051 422 V CA 1.565 63.856 62.300 -0.015 0.000 1.048 422 V CB -0.207 31.611 31.823 -0.008 0.000 0.666 422 V HN 0.439 nan 8.190 nan 0.000 0.456 423 D N -0.260 120.122 120.400 -0.029 0.000 2.178 423 D HA -0.173 4.463 4.640 -0.008 0.000 0.202 423 D C 2.340 178.610 176.300 -0.050 0.000 0.974 423 D CA 0.928 54.911 54.000 -0.029 0.000 0.841 423 D CB -0.131 40.652 40.800 -0.029 0.000 0.953 423 D HN 0.221 nan 8.370 nan 0.000 0.478 424 R N -0.229 120.216 120.500 -0.091 0.000 2.096 424 R HA -0.065 4.270 4.340 -0.008 0.000 0.235 424 R C 2.266 178.493 176.300 -0.121 0.000 1.127 424 R CA 0.743 56.751 56.100 -0.154 0.000 0.968 424 R CB -0.200 29.946 30.300 -0.258 0.000 0.861 424 R HN 0.274 nan 8.270 nan 0.000 0.440 425 L N 0.035 121.215 121.223 -0.072 0.000 2.017 425 L HA -0.168 4.168 4.340 -0.008 0.000 0.208 425 L C 2.882 179.760 176.870 0.014 0.000 1.073 425 L CA 1.388 56.207 54.840 -0.035 0.000 0.745 425 L CB -0.481 41.567 42.059 -0.018 0.000 0.894 425 L HN 0.245 nan 8.230 nan 0.000 0.432 426 R N 0.255 120.766 120.500 0.018 0.000 2.096 426 R HA -0.137 4.198 4.340 -0.008 0.000 0.235 426 R C 2.418 178.771 176.300 0.088 0.000 1.127 426 R CA 1.274 57.405 56.100 0.052 0.000 0.968 426 R CB 0.007 30.328 30.300 0.035 0.000 0.861 426 R HN 0.335 nan 8.270 nan 0.000 0.440 427 R N -0.532 120.001 120.500 0.056 0.000 2.093 427 R HA 0.014 4.350 4.340 -0.008 0.000 0.224 427 R C 2.199 178.594 176.300 0.158 0.000 1.101 427 R CA 1.275 57.436 56.100 0.101 0.000 0.979 427 R CB -0.060 30.254 30.300 0.023 0.000 0.877 427 R HN 0.268 nan 8.270 nan 0.000 0.441 428 M N 0.258 119.859 119.600 0.002 0.000 2.447 428 M HA 0.026 4.501 4.480 -0.008 0.000 0.264 428 M C 0.956 177.438 176.300 0.303 0.000 1.095 428 M CA 0.189 55.429 55.300 -0.100 0.000 1.125 428 M CB 0.217 32.627 32.600 -0.316 0.000 1.389 428 M HN -0.071 nan 8.290 nan 0.000 0.459 429 S N 0.876 116.761 115.700 0.309 0.000 2.561 429 S HA -0.033 4.432 4.470 -0.008 0.000 0.294 429 S C 0.979 175.864 174.600 0.474 0.000 1.294 429 S CA -0.309 58.102 58.200 0.352 0.000 1.055 429 S CB 0.538 63.877 63.200 0.231 0.000 0.819 429 S HN 0.195 nan 8.310 nan 0.000 0.503 430 L N 5.421 126.862 121.223 0.362 0.000 2.291 430 L HA 0.154 4.489 4.340 -0.008 0.000 0.214 430 L C 0.438 177.414 176.870 0.177 0.000 1.120 430 L CA 0.847 55.848 54.840 0.269 0.000 0.799 430 L CB -0.389 41.770 42.059 0.165 0.000 0.925 430 L HN 0.458 nan 8.230 nan 0.000 0.446 431 V N 0.134 120.167 119.914 0.198 0.000 2.407 431 V HA 0.205 4.321 4.120 -0.008 0.000 0.278 431 V C 0.122 176.297 176.094 0.135 0.000 1.037 431 V CA -0.883 61.518 62.300 0.168 0.000 0.900 431 V CB 1.240 33.201 31.823 0.229 0.000 0.983 431 V HN 0.151 nan 8.190 nan 0.000 0.459 432 E N 3.095 123.349 120.200 0.091 0.000 2.134 432 E HA 0.400 4.745 4.350 -0.008 0.000 0.278 432 E C -0.715 175.927 176.600 0.069 0.000 0.959 432 E CA -0.656 55.786 56.400 0.069 0.000 0.783 432 E CB 2.085 31.799 29.700 0.023 0.000 1.095 432 E HN 0.589 nan 8.360 nan 0.000 0.399 433 E N 1.060 121.300 120.200 0.067 0.000 2.371 433 E HA 0.574 4.920 4.350 -0.008 0.000 0.257 433 E C 0.090 176.721 176.600 0.052 0.000 1.134 433 E CA 0.357 56.793 56.400 0.060 0.000 0.919 433 E CB 1.278 31.009 29.700 0.052 0.000 1.025 433 E HN 0.669 nan 8.360 nan 0.000 0.438 434 G N -0.380 108.451 108.800 0.051 0.000 2.356 434 G HA2 0.314 4.270 3.960 -0.008 0.000 0.288 434 G HA3 0.314 4.270 3.960 -0.008 0.000 0.288 434 G C 0.213 175.145 174.900 0.053 0.000 1.302 434 G CA 0.079 45.207 45.100 0.047 0.000 0.887 434 G HN 0.546 nan 8.290 nan 0.000 0.521 435 A N -1.248 121.603 122.820 0.051 0.000 1.917 435 A HA 0.330 4.645 4.320 -0.008 0.000 0.219 435 A C 1.178 178.807 177.584 0.075 0.000 1.182 435 A CA 2.439 54.509 52.037 0.055 0.000 0.633 435 A CB -0.368 18.662 19.000 0.049 0.000 0.819 435 A HN 1.552 nan 8.150 nan 0.000 0.448 436 V N 0.399 120.364 119.914 0.084 0.000 2.407 436 V HA 0.250 4.366 4.120 -0.008 0.000 0.291 436 V C -0.083 176.070 176.094 0.098 0.000 1.018 436 V CA -0.819 61.551 62.300 0.117 0.000 0.842 436 V CB 1.459 33.364 31.823 0.137 0.000 0.996 436 V HN 0.409 nan 8.190 nan 0.000 0.426 437 K N 4.332 124.798 120.400 0.111 0.000 2.401 437 K HA 0.467 4.783 4.320 -0.008 0.000 0.278 437 K C -0.031 176.618 176.600 0.083 0.000 1.018 437 K CA 0.072 56.420 56.287 0.101 0.000 0.981 437 K CB 0.599 33.174 32.500 0.126 0.000 0.933 437 K HN 0.618 nan 8.250 nan 0.000 0.477 438 R N 2.454 122.994 120.500 0.066 0.000 2.905 438 R HA 0.517 4.853 4.340 -0.008 0.000 0.260 438 R C -0.916 175.406 176.300 0.037 0.000 1.086 438 R CA -1.049 55.076 56.100 0.042 0.000 0.978 438 R CB 1.139 31.444 30.300 0.009 0.000 1.215 438 R HN 0.369 nan 8.270 nan 0.000 0.480 439 I N 1.620 122.202 120.570 0.021 0.000 2.406 439 I HA 0.198 4.364 4.170 -0.008 0.000 0.290 439 I C -0.533 175.549 176.117 -0.058 0.000 0.999 439 I CA -0.805 60.499 61.300 0.006 0.000 1.124 439 I CB 1.462 39.468 38.000 0.009 0.000 1.289 439 I HN 0.518 nan 8.210 nan 0.000 0.441 440 N N 6.857 125.498 118.700 -0.097 0.000 2.415 440 N HA 0.102 4.837 4.740 -0.008 0.000 0.246 440 N C 0.821 176.232 175.510 -0.164 0.000 1.078 440 N CA -0.340 52.576 53.050 -0.223 0.000 0.942 440 N CB 0.997 39.207 38.487 -0.462 0.000 1.140 440 N HN 0.375 nan 8.380 nan 0.000 0.501 441 M N 2.500 121.996 119.600 -0.174 0.000 2.229 441 M HA -0.061 4.414 4.480 -0.008 0.000 0.264 441 M C 1.944 178.094 176.300 -0.250 0.000 1.063 441 M CA 0.754 55.970 55.300 -0.141 0.000 1.114 441 M CB -1.577 30.974 32.600 -0.081 0.000 1.387 441 M HN 0.612 nan 8.290 nan 0.000 0.420 442 A N -0.636 122.035 122.820 -0.250 0.000 1.898 442 A HA -0.168 4.147 4.320 -0.008 0.000 0.216 442 A C 2.028 179.385 177.584 -0.379 0.000 1.181 442 A CA 1.433 53.275 52.037 -0.325 0.000 0.620 442 A CB -1.110 17.894 19.000 0.007 0.000 0.819 442 A HN 0.586 nan 8.150 nan 0.000 0.442 443 H N -1.475 117.379 119.070 -0.361 0.000 2.387 443 H HA -0.110 4.441 4.556 -0.008 0.000 0.299 443 H C 2.095 177.186 175.328 -0.395 0.000 1.090 443 H CA 1.186 56.980 56.048 -0.424 0.000 1.332 443 H CB 0.010 29.739 29.762 -0.055 0.000 1.386 443 H HN 0.446 nan 8.280 nan 0.000 0.516 444 L N 0.536 121.672 121.223 -0.146 0.000 2.046 444 L HA -0.146 4.189 4.340 -0.008 0.000 0.208 444 L C 2.252 178.991 176.870 -0.218 0.000 1.077 444 L CA 1.416 56.173 54.840 -0.139 0.000 0.747 444 L CB -0.731 41.280 42.059 -0.080 0.000 0.896 444 L HN 0.263 nan 8.230 nan 0.000 0.432 445 C N -0.347 118.722 119.300 -0.385 0.000 2.429 445 C HA -0.088 4.367 4.460 -0.008 0.000 0.277 445 C C 2.688 177.447 174.990 -0.386 0.000 1.262 445 C CA 0.912 59.635 59.018 -0.491 0.000 1.733 445 C CB -0.932 26.137 27.740 -1.119 0.000 2.010 445 C HN 0.618 nan 8.230 nan 0.000 0.483 446 I N 1.508 121.794 120.570 -0.472 0.000 2.202 446 I HA -0.169 3.997 4.170 -0.008 0.000 0.242 446 I C 2.741 178.698 176.117 -0.267 0.000 1.091 446 I CA 1.645 62.703 61.300 -0.403 0.000 1.368 446 I CB -0.559 37.010 38.000 -0.719 0.000 1.058 446 I HN 0.241 nan 8.210 nan 0.000 0.410 447 A N 0.550 123.161 122.820 -0.349 0.000 1.972 447 A HA -0.078 4.238 4.320 -0.008 0.000 0.219 447 A C 2.224 179.868 177.584 0.099 0.000 1.169 447 A CA 1.814 53.677 52.037 -0.291 0.000 0.635 447 A CB -1.121 17.467 19.000 -0.686 0.000 0.810 447 A HN 0.483 nan 8.150 nan 0.000 0.446 448 G N -1.149 107.664 108.800 0.021 0.000 3.189 448 G HA2 0.411 4.367 3.960 -0.008 0.000 0.225 448 G HA3 0.411 4.367 3.960 -0.008 0.000 0.225 448 G C 0.120 174.893 174.900 -0.211 0.000 1.159 448 G CA 0.578 45.619 45.100 -0.099 0.000 0.763 448 G HN 0.385 nan 8.290 nan 0.000 0.549 449 S N -0.406 115.218 115.700 -0.127 0.000 2.568 449 S HA 0.347 4.812 4.470 -0.008 0.000 0.293 449 S C 0.639 175.210 174.600 -0.048 0.000 1.089 449 S CA -0.728 57.420 58.200 -0.087 0.000 0.945 449 S CB 1.355 64.505 63.200 -0.084 0.000 1.077 449 S HN 0.465 nan 8.310 nan 0.000 0.485 450 H N -0.338 118.710 119.070 -0.037 0.000 2.551 450 H HA 0.494 5.045 4.556 -0.008 0.000 0.266 450 H C 0.172 175.506 175.328 0.009 0.000 0.964 450 H CA 0.304 56.357 56.048 0.009 0.000 1.180 450 H CB 0.086 29.860 29.762 0.019 0.000 1.408 450 H HN 0.560 nan 8.280 nan 0.000 0.563 451 A N 1.031 123.557 122.820 -0.491 0.000 2.486 451 A HA 0.580 4.896 4.320 -0.008 0.000 0.300 451 A C -1.361 176.023 177.584 -0.333 0.000 1.048 451 A CA -0.581 51.226 52.037 -0.384 0.000 0.696 451 A CB 2.358 21.098 19.000 -0.434 0.000 1.278 451 A HN 0.096 nan 8.150 nan 0.000 0.405 452 V N 3.966 123.641 119.914 -0.398 0.000 2.577 452 V HA 0.550 4.665 4.120 -0.008 0.000 0.303 452 V C -0.862 175.015 176.094 -0.361 0.000 1.042 452 V CA -0.764 61.264 62.300 -0.452 0.000 0.872 452 V CB 1.903 33.260 31.823 -0.776 0.000 0.998 452 V HN 1.045 nan 8.190 nan 0.000 0.423 453 N N 2.931 121.447 118.700 -0.308 0.000 2.262 453 N HA 0.625 5.361 4.740 -0.008 0.000 0.295 453 N C -0.351 175.058 175.510 -0.168 0.000 1.161 453 N CA -0.395 52.530 53.050 -0.207 0.000 0.767 453 N CB 2.873 41.222 38.487 -0.230 0.000 1.499 453 N HN 0.657 nan 8.380 nan 0.000 0.476 454 G N -0.845 107.900 108.800 -0.091 0.000 2.511 454 G HA2 0.433 4.388 3.960 -0.008 0.000 0.316 454 G HA3 0.433 4.388 3.960 -0.008 0.000 0.316 454 G C 0.701 175.663 174.900 0.103 0.000 1.210 454 G CA -0.617 44.507 45.100 0.039 0.000 0.969 454 G HN 0.595 nan 8.290 nan 0.000 0.492 455 V N -3.170 116.884 119.914 0.234 0.000 3.271 455 V HA 0.679 4.794 4.120 -0.008 0.000 0.327 455 V C 0.556 176.695 176.094 0.076 0.000 1.389 455 V CA 0.191 62.524 62.300 0.055 0.000 1.156 455 V CB -1.032 30.737 31.823 -0.089 0.000 1.103 455 V HN 1.380 nan 8.190 nan 0.000 0.453 456 A N -0.200 122.684 122.820 0.106 0.000 2.590 456 A HA 0.627 4.943 4.320 -0.008 0.000 0.296 456 A C 0.548 178.174 177.584 0.070 0.000 1.050 456 A CA -0.136 51.952 52.037 0.085 0.000 0.697 456 A CB 0.987 20.029 19.000 0.070 0.000 1.277 456 A HN 0.067 nan 8.150 nan 0.000 0.411 457 R N 1.001 121.523 120.500 0.037 0.000 2.113 457 R HA -0.184 4.151 4.340 -0.008 0.000 0.244 457 R C 1.797 178.095 176.300 -0.004 0.000 1.142 457 R CA 2.434 58.536 56.100 0.004 0.000 0.953 457 R CB -0.277 30.020 30.300 -0.005 0.000 0.860 457 R HN 0.815 nan 8.270 nan 0.000 0.438 458 I N -0.111 120.465 120.570 0.011 0.000 2.226 458 I HA -0.302 3.864 4.170 -0.008 0.000 0.245 458 I C 2.234 178.361 176.117 0.017 0.000 1.100 458 I CA 1.929 63.228 61.300 -0.001 0.000 1.374 458 I CB -0.202 37.796 38.000 -0.004 0.000 1.057 458 I HN 0.358 nan 8.210 nan 0.000 0.413 459 H N 0.320 119.361 119.070 -0.049 0.000 2.326 459 H HA -0.115 4.436 4.556 -0.008 0.000 0.301 459 H C 2.283 177.583 175.328 -0.046 0.000 1.081 459 H CA 2.179 58.197 56.048 -0.050 0.000 1.334 459 H CB -0.242 29.494 29.762 -0.044 0.000 1.385 459 H HN 0.251 nan 8.280 nan 0.000 0.504 460 S N 0.245 115.862 115.700 -0.139 0.000 2.399 460 S HA -0.121 4.344 4.470 -0.008 0.000 0.231 460 S C 1.887 176.384 174.600 -0.171 0.000 1.022 460 S CA 1.173 59.266 58.200 -0.178 0.000 0.983 460 S CB -0.062 63.091 63.200 -0.077 0.000 0.803 460 S HN 0.462 nan 8.310 nan 0.000 0.480 461 E N 0.966 121.079 120.200 -0.145 0.000 2.072 461 E HA 0.012 4.357 4.350 -0.008 0.000 0.190 461 E C 1.992 178.469 176.600 -0.204 0.000 0.982 461 E CA 0.519 56.818 56.400 -0.168 0.000 0.803 461 E CB -0.394 29.236 29.700 -0.117 0.000 0.755 461 E HN 0.463 nan 8.360 nan 0.000 0.453 462 I N 0.812 121.278 120.570 -0.175 0.000 2.614 462 I HA -0.187 3.978 4.170 -0.008 0.000 0.258 462 I C 2.079 178.061 176.117 -0.225 0.000 1.189 462 I CA 0.628 61.824 61.300 -0.174 0.000 1.462 462 I CB 0.037 37.965 38.000 -0.120 0.000 1.092 462 I HN 0.021 nan 8.210 nan 0.000 0.442 463 L N -0.033 121.035 121.223 -0.257 0.000 2.056 463 L HA -0.203 4.132 4.340 -0.008 0.000 0.207 463 L C 2.377 179.112 176.870 -0.225 0.000 1.078 463 L CA 1.422 56.147 54.840 -0.190 0.000 0.749 463 L CB -0.589 41.458 42.059 -0.021 0.000 0.901 463 L HN 0.191 nan 8.230 nan 0.000 0.433 464 K N -0.701 119.464 120.400 -0.392 0.000 2.228 464 K HA -0.095 4.220 4.320 -0.008 0.000 0.202 464 K C 2.067 178.367 176.600 -0.500 0.000 1.051 464 K CA 0.543 56.385 56.287 -0.742 0.000 0.960 464 K CB 0.138 31.935 32.500 -1.173 0.000 0.743 464 K HN 0.017 nan 8.250 nan 0.000 0.458 465 K N 0.163 120.366 120.400 -0.327 0.000 2.067 465 K HA 0.050 4.365 4.320 -0.008 0.000 0.203 465 K C 1.788 178.302 176.600 -0.143 0.000 1.048 465 K CA 1.290 57.455 56.287 -0.203 0.000 0.954 465 K CB -0.092 32.310 32.500 -0.163 0.000 0.737 465 K HN 0.035 nan 8.250 nan 0.000 0.444 466 T N 0.945 115.405 114.554 -0.156 0.000 3.478 466 T HA 0.142 4.488 4.350 -0.008 0.000 0.223 466 T C 1.734 176.340 174.700 -0.157 0.000 0.958 466 T CA 0.012 62.034 62.100 -0.130 0.000 1.324 466 T CB -0.186 68.609 68.868 -0.121 0.000 1.262 466 T HN -0.163 nan 8.240 nan 0.000 0.379 467 I N 1.496 121.908 120.570 -0.263 0.000 2.121 467 I HA -0.165 4.001 4.170 -0.008 0.000 0.243 467 I C 1.216 177.024 176.117 -0.515 0.000 1.047 467 I CA 2.106 63.110 61.300 -0.494 0.000 1.308 467 I CB -1.332 36.186 38.000 -0.803 0.000 1.015 467 I HN 0.230 nan 8.210 nan 0.000 0.410 468 F N 0.486 120.498 119.950 0.102 0.000 2.850 468 F HA 0.318 4.840 4.527 -0.008 0.000 0.329 468 F C 1.743 177.596 175.800 0.088 0.000 1.182 468 F CA -0.928 57.227 58.000 0.259 0.000 1.270 468 F CB -0.559 38.654 39.000 0.354 0.000 0.979 468 F HN -0.022 nan 8.300 nan 0.000 0.506 469 K N 0.746 121.193 120.400 0.079 0.000 2.089 469 K HA -0.231 4.085 4.320 -0.008 0.000 0.210 469 K C 1.331 177.950 176.600 0.033 0.000 1.048 469 K CA 2.244 58.539 56.287 0.013 0.000 0.926 469 K CB 0.030 32.512 32.500 -0.031 0.000 0.714 469 K HN 0.177 nan 8.250 nan 0.000 0.448 470 D N -0.446 119.944 120.400 -0.017 0.000 2.117 470 D HA -0.127 4.509 4.640 -0.008 0.000 0.198 470 D C 1.823 178.022 176.300 -0.169 0.000 0.982 470 D CA 1.116 54.995 54.000 -0.202 0.000 0.828 470 D CB -0.204 40.379 40.800 -0.362 0.000 0.967 470 D HN 0.218 nan 8.370 nan 0.000 0.464 471 F N 0.033 120.076 119.950 0.156 0.000 2.186 471 F HA -0.145 4.377 4.527 -0.008 0.000 0.299 471 F C 2.321 178.282 175.800 0.268 0.000 1.090 471 F CA 0.519 58.695 58.000 0.294 0.000 1.307 471 F CB -0.676 38.590 39.000 0.443 0.000 1.019 471 F HN -0.016 nan 8.300 nan 0.000 0.489 472 Y N 1.306 121.573 120.300 -0.055 0.000 2.181 472 Y HA -0.183 4.362 4.550 -0.008 0.000 0.288 472 Y C 2.112 177.990 175.900 -0.036 0.000 1.146 472 Y CA 1.644 59.540 58.100 -0.340 0.000 1.164 472 Y CB -0.597 37.469 38.460 -0.657 0.000 0.982 472 Y HN 0.131 nan 8.280 nan 0.000 0.515 473 E N -0.304 119.833 120.200 -0.105 0.000 2.150 473 E HA -0.184 4.162 4.350 -0.008 0.000 0.193 473 E C 2.015 178.662 176.600 0.078 0.000 0.985 473 E CA 1.149 57.492 56.400 -0.094 0.000 0.814 473 E CB -0.244 29.443 29.700 -0.023 0.000 0.752 473 E HN 0.457 nan 8.360 nan 0.000 0.466 474 L N 0.929 122.244 121.223 0.154 0.000 2.072 474 L HA -0.059 4.276 4.340 -0.008 0.000 0.205 474 L C 0.251 177.197 176.870 0.127 0.000 1.079 474 L CA 1.594 56.574 54.840 0.234 0.000 0.752 474 L CB 0.408 42.610 42.059 0.239 0.000 0.906 474 L HN -0.101 nan 8.230 nan 0.000 0.436 475 E N -0.225 120.025 120.200 0.084 0.000 3.117 475 E HA 0.172 4.517 4.350 -0.008 0.000 0.262 475 E C -2.036 174.418 176.600 -0.243 0.000 1.202 475 E CA -1.282 55.033 56.400 -0.141 0.000 0.853 475 E CB 0.873 30.527 29.700 -0.078 0.000 1.426 475 E HN 0.162 nan 8.360 nan 0.000 0.387 476 P HA -0.263 nan 4.420 nan 0.000 0.216 476 P C 1.285 178.625 177.300 0.066 0.000 1.150 476 P CA 1.515 64.439 63.100 -0.294 0.000 0.843 476 P CB -0.126 31.337 31.700 -0.395 0.000 0.787 477 H N -0.080 119.083 119.070 0.154 0.000 2.489 477 H HA 0.038 4.589 4.556 -0.008 0.000 0.293 477 H C 1.653 177.073 175.328 0.153 0.000 1.066 477 H CA 0.838 56.973 56.048 0.145 0.000 1.305 477 H CB -0.625 29.195 29.762 0.097 0.000 1.386 477 H HN 0.163 nan 8.280 nan 0.000 0.551 478 K N 0.306 120.668 120.400 -0.065 0.000 2.155 478 K HA 0.010 4.325 4.320 -0.008 0.000 0.203 478 K C -0.114 176.377 176.600 -0.181 0.000 1.052 478 K CA 0.279 56.519 56.287 -0.079 0.000 0.948 478 K CB 0.068 32.425 32.500 -0.240 0.000 0.728 478 K HN 0.068 nan 8.250 nan 0.000 0.448 479 F N 1.771 121.763 119.950 0.070 0.000 2.438 479 F HA 0.140 4.663 4.527 -0.008 0.000 0.356 479 F C 0.579 176.388 175.800 0.015 0.000 1.099 479 F CA 0.081 58.117 58.000 0.060 0.000 1.185 479 F CB 0.819 39.908 39.000 0.149 0.000 1.115 479 F HN -0.039 nan 8.300 nan 0.000 0.526 480 Q N 1.680 121.505 119.800 0.041 0.000 2.882 480 Q HA 0.411 4.746 4.340 -0.008 0.000 0.315 480 Q C -1.201 174.758 176.000 -0.069 0.000 1.004 480 Q CA -1.315 54.470 55.803 -0.030 0.000 0.777 480 Q CB 3.013 31.680 28.738 -0.119 0.000 1.506 480 Q HN 0.640 nan 8.270 nan 0.000 0.489 481 N N 0.300 118.934 118.700 -0.110 0.000 2.225 481 N HA 0.272 5.008 4.740 -0.008 0.000 0.298 481 N C -1.589 173.808 175.510 -0.187 0.000 1.076 481 N CA -0.419 52.563 53.050 -0.113 0.000 0.792 481 N CB 1.337 39.782 38.487 -0.069 0.000 1.498 481 N HN 0.270 nan 8.380 nan 0.000 0.474 482 K N 2.590 122.878 120.400 -0.187 0.000 2.756 482 K HA 0.191 4.507 4.320 -0.008 0.000 0.218 482 K C -1.009 175.569 176.600 -0.036 0.000 1.057 482 K CA -0.451 55.684 56.287 -0.254 0.000 1.056 482 K CB 1.019 33.123 32.500 -0.659 0.000 1.235 482 K HN 0.556 nan 8.250 nan 0.000 0.547 483 T N 1.959 116.513 114.554 0.001 0.000 2.908 483 T HA 0.051 4.396 4.350 -0.008 0.000 0.301 483 T C 0.841 175.642 174.700 0.169 0.000 1.019 483 T CA 0.396 62.548 62.100 0.086 0.000 1.152 483 T CB 0.246 69.167 68.868 0.089 0.000 0.966 483 T HN 0.345 nan 8.240 nan 0.000 0.540 484 N N 0.723 119.545 118.700 0.203 0.000 2.267 484 N HA 0.364 5.100 4.740 -0.008 0.000 0.226 484 N C 0.473 176.157 175.510 0.289 0.000 1.314 484 N CA -0.079 53.128 53.050 0.261 0.000 0.887 484 N CB 0.346 38.932 38.487 0.165 0.000 1.120 484 N HN 0.764 nan 8.380 nan 0.000 0.440 485 G N -0.668 108.313 108.800 0.302 0.000 2.649 485 G HA2 0.573 4.529 3.960 -0.008 0.000 0.290 485 G HA3 0.573 4.529 3.960 -0.008 0.000 0.290 485 G C -1.424 173.614 174.900 0.230 0.000 1.426 485 G CA -0.751 44.518 45.100 0.281 0.000 0.794 485 G HN 0.603 nan 8.290 nan 0.000 0.483 486 I N -2.202 118.491 120.570 0.206 0.000 2.785 486 I HA 0.777 4.943 4.170 -0.008 0.000 0.302 486 I C -0.128 176.172 176.117 0.306 0.000 1.069 486 I CA -0.967 60.458 61.300 0.209 0.000 1.045 486 I CB 2.482 40.469 38.000 -0.021 0.000 1.236 486 I HN 0.488 nan 8.210 nan 0.000 0.429 487 T N 4.102 118.908 114.554 0.421 0.000 2.794 487 T HA 0.364 4.710 4.350 -0.008 0.000 0.296 487 T C -1.430 173.410 174.700 0.234 0.000 0.949 487 T CA -1.669 60.584 62.100 0.254 0.000 1.101 487 T CB 0.813 69.766 68.868 0.140 0.000 0.905 487 T HN 0.632 nan 8.240 nan 0.000 0.516 488 P HA 0.027 nan 4.420 nan 0.000 0.230 488 P C 1.052 178.344 177.300 -0.014 0.000 1.158 488 P CA 0.417 63.572 63.100 0.090 0.000 0.769 488 P CB 0.371 32.104 31.700 0.055 0.000 0.807 489 R N 0.402 120.851 120.500 -0.084 0.000 2.054 489 R HA 0.043 4.378 4.340 -0.008 0.000 0.223 489 R C 2.709 178.915 176.300 -0.157 0.000 1.176 489 R CA 1.480 57.488 56.100 -0.153 0.000 0.934 489 R CB -1.274 28.942 30.300 -0.139 0.000 0.828 489 R HN 0.013 nan 8.270 nan 0.000 0.441 490 R N -0.627 119.718 120.500 -0.259 0.000 2.081 490 R HA -0.133 4.203 4.340 -0.008 0.000 0.235 490 R C 1.321 177.316 176.300 -0.508 0.000 1.131 490 R CA 1.773 57.572 56.100 -0.501 0.000 0.960 490 R CB -0.279 29.515 30.300 -0.844 0.000 0.856 490 R HN 0.319 nan 8.270 nan 0.000 0.436 491 W N -0.215 121.052 121.300 -0.054 0.000 3.292 491 W HA 0.106 4.761 4.660 -0.008 0.000 0.263 491 W C 1.079 177.577 176.519 -0.035 0.000 1.318 491 W CA -0.716 56.596 57.345 -0.054 0.000 1.663 491 W CB 0.351 29.785 29.460 -0.043 0.000 1.114 491 W HN 0.254 nan 8.180 nan 0.000 0.706 492 L N -2.354 118.944 121.223 0.124 0.000 2.923 492 L HA 0.189 4.524 4.340 -0.008 0.000 0.161 492 L C 1.746 178.648 176.870 0.053 0.000 1.202 492 L CA 0.761 55.665 54.840 0.107 0.000 0.920 492 L CB -0.892 41.253 42.059 0.144 0.000 1.773 492 L HN -0.272 nan 8.230 nan 0.000 0.532 493 V N 1.100 121.024 119.914 0.017 0.000 2.392 493 V HA -0.246 3.869 4.120 -0.008 0.000 0.249 493 V C 2.430 178.510 176.094 -0.022 0.000 1.059 493 V CA 2.358 64.656 62.300 -0.003 0.000 1.051 493 V CB -0.497 31.295 31.823 -0.053 0.000 0.658 493 V HN 0.476 nan 8.190 nan 0.000 0.455 494 L N 0.290 121.474 121.223 -0.065 0.000 2.022 494 L HA -0.161 4.174 4.340 -0.008 0.000 0.204 494 L C 2.659 179.483 176.870 -0.077 0.000 1.076 494 L CA 2.262 57.045 54.840 -0.096 0.000 0.749 494 L CB -0.334 41.614 42.059 -0.184 0.000 0.903 494 L HN 0.607 nan 8.230 nan 0.000 0.439 495 C N -1.377 117.875 119.300 -0.080 0.000 2.446 495 C HA 0.060 4.515 4.460 -0.008 0.000 0.279 495 C C 1.338 176.330 174.990 0.002 0.000 1.366 495 C CA -0.094 58.901 59.018 -0.040 0.000 1.763 495 C CB -1.130 26.605 27.740 -0.008 0.000 1.929 495 C HN 0.565 nan 8.230 nan 0.000 0.509 496 N N 1.394 120.104 118.700 0.018 0.000 2.813 496 N HA 0.292 5.027 4.740 -0.008 0.000 0.282 496 N C -1.719 173.810 175.510 0.032 0.000 1.748 496 N CA -1.662 51.405 53.050 0.029 0.000 0.860 496 N CB 0.802 39.313 38.487 0.040 0.000 1.204 496 N HN 0.317 nan 8.380 nan 0.000 0.490 497 P HA -0.057 nan 4.420 nan 0.000 0.218 497 P C 1.315 178.634 177.300 0.031 0.000 1.149 497 P CA 0.870 63.986 63.100 0.027 0.000 0.817 497 P CB 0.346 32.055 31.700 0.015 0.000 0.785 498 G N 0.558 109.371 108.800 0.021 0.000 2.404 498 G HA2 -0.219 3.736 3.960 -0.008 0.000 0.215 498 G HA3 -0.219 3.736 3.960 -0.008 0.000 0.215 498 G C 1.509 176.414 174.900 0.009 0.000 1.174 498 G CA 0.506 45.613 45.100 0.012 0.000 0.780 498 G HN 0.222 nan 8.290 nan 0.000 0.537 499 L N 1.447 122.676 121.223 0.011 0.000 2.056 499 L HA 0.195 4.531 4.340 -0.008 0.000 0.207 499 L C 3.040 179.936 176.870 0.043 0.000 1.078 499 L CA 2.075 56.917 54.840 0.002 0.000 0.749 499 L CB -0.767 41.297 42.059 0.008 0.000 0.901 499 L HN 0.233 nan 8.230 nan 0.000 0.433 500 A N -1.079 121.795 122.820 0.089 0.000 1.972 500 A HA -0.223 4.093 4.320 -0.008 0.000 0.219 500 A C 2.210 179.900 177.584 0.178 0.000 1.169 500 A CA 1.691 53.840 52.037 0.186 0.000 0.635 500 A CB -0.560 18.546 19.000 0.176 0.000 0.810 500 A HN 0.532 nan 8.150 nan 0.000 0.446 501 E N 0.705 120.965 120.200 0.099 0.000 2.028 501 E HA -0.141 4.205 4.350 -0.008 0.000 0.190 501 E C 1.890 178.535 176.600 0.075 0.000 0.984 501 E CA 1.518 57.966 56.400 0.081 0.000 0.800 501 E CB -0.499 29.228 29.700 0.045 0.000 0.758 501 E HN 0.715 nan 8.360 nan 0.000 0.448 502 I N -1.456 119.145 120.570 0.052 0.000 2.361 502 I HA -0.178 3.987 4.170 -0.008 0.000 0.251 502 I C 2.157 178.362 176.117 0.147 0.000 1.133 502 I CA 1.219 62.562 61.300 0.071 0.000 1.413 502 I CB -0.386 37.611 38.000 -0.004 0.000 1.073 502 I HN 0.028 nan 8.210 nan 0.000 0.424 503 I N 1.901 122.534 120.570 0.105 0.000 2.202 503 I HA -0.195 3.970 4.170 -0.008 0.000 0.242 503 I C 3.041 179.146 176.117 -0.020 0.000 1.091 503 I CA 1.320 62.623 61.300 0.006 0.000 1.368 503 I CB -0.496 37.359 38.000 -0.241 0.000 1.058 503 I HN 0.312 nan 8.210 nan 0.000 0.410 504 A N 0.387 123.288 122.820 0.135 0.000 1.933 504 A HA -0.237 4.079 4.320 -0.008 0.000 0.218 504 A C 2.165 179.802 177.584 0.088 0.000 1.175 504 A CA 1.628 53.793 52.037 0.214 0.000 0.628 504 A CB -0.609 18.532 19.000 0.235 0.000 0.814 504 A HN 0.428 nan 8.150 nan 0.000 0.444 505 E N -0.830 119.401 120.200 0.051 0.000 2.130 505 E HA -0.216 4.129 4.350 -0.008 0.000 0.196 505 E C 2.224 178.805 176.600 -0.032 0.000 0.998 505 E CA 1.209 57.618 56.400 0.016 0.000 0.806 505 E CB -0.020 29.690 29.700 0.018 0.000 0.738 505 E HN 0.417 nan 8.360 nan 0.000 0.459 506 R N -0.077 120.359 120.500 -0.107 0.000 2.105 506 R HA 0.079 4.414 4.340 -0.008 0.000 0.214 506 R C 2.295 178.550 176.300 -0.075 0.000 1.091 506 R CA 0.802 56.779 56.100 -0.206 0.000 1.007 506 R CB -0.294 29.599 30.300 -0.677 0.000 0.912 506 R HN 0.334 nan 8.270 nan 0.000 0.450 507 I N -2.892 117.651 120.570 -0.044 0.000 4.025 507 I HA 0.436 4.601 4.170 -0.008 0.000 0.336 507 I C 0.450 176.630 176.117 0.105 0.000 1.390 507 I CA 0.122 61.443 61.300 0.035 0.000 1.099 507 I CB 0.642 38.652 38.000 0.017 0.000 1.049 507 I HN 0.161 nan 8.210 nan 0.000 0.394 508 G N 2.106 110.977 108.800 0.117 0.000 2.660 508 G HA2 -0.223 3.732 3.960 -0.008 0.000 0.215 508 G HA3 -0.223 3.732 3.960 -0.008 0.000 0.215 508 G C -0.044 174.985 174.900 0.215 0.000 1.345 508 G CA 0.199 45.378 45.100 0.132 0.000 0.877 508 G HN 0.440 nan 8.290 nan 0.000 0.549 509 E N -0.171 120.094 120.200 0.108 0.000 2.476 509 E HA 0.120 4.466 4.350 -0.008 0.000 0.199 509 E C 2.005 178.523 176.600 -0.137 0.000 1.021 509 E CA 0.333 56.717 56.400 -0.027 0.000 0.907 509 E CB 0.273 29.966 29.700 -0.012 0.000 0.974 509 E HN 0.618 nan 8.360 nan 0.000 0.489 510 E N 0.467 120.674 120.200 0.013 0.000 2.171 510 E HA -0.247 4.099 4.350 -0.008 0.000 0.197 510 E C 1.754 178.345 176.600 -0.015 0.000 0.997 510 E CA 1.473 57.880 56.400 0.013 0.000 0.810 510 E CB -0.242 29.495 29.700 0.061 0.000 0.738 510 E HN 0.502 nan 8.360 nan 0.000 0.467 511 Y N -0.449 119.855 120.300 0.007 0.000 2.333 511 Y HA -0.133 4.413 4.550 -0.006 0.000 0.290 511 Y C 1.858 177.733 175.900 -0.041 0.000 1.144 511 Y CA 0.661 58.758 58.100 -0.006 0.000 1.228 511 Y CB -0.648 37.816 38.460 0.006 0.000 0.985 511 Y HN -0.056 nan 8.280 nan 0.000 0.542 512 I N 0.975 121.057 120.570 -0.812 0.000 2.248 512 I HA -0.290 3.875 4.170 -0.008 0.000 0.248 512 I C 1.621 177.481 176.117 -0.428 0.000 1.107 512 I CA 2.070 62.935 61.300 -0.725 0.000 1.373 512 I CB -0.436 37.037 38.000 -0.879 0.000 1.055 512 I HN 0.519 nan 8.210 nan 0.000 0.418 513 S N -1.876 113.674 115.700 -0.250 0.000 2.711 513 S HA 0.238 4.704 4.470 -0.008 0.000 0.247 513 S C -0.072 174.512 174.600 -0.027 0.000 1.079 513 S CA -0.567 57.565 58.200 -0.112 0.000 1.050 513 S CB 0.379 63.570 63.200 -0.015 0.000 0.885 513 S HN 0.312 nan 8.310 nan 0.000 0.498 514 D N 0.543 120.938 120.400 -0.009 0.000 3.361 514 D HA 0.180 4.815 4.640 -0.008 0.000 0.246 514 D C 0.395 176.744 176.300 0.081 0.000 1.395 514 D CA -0.320 53.700 54.000 0.033 0.000 0.839 514 D CB 0.134 40.958 40.800 0.039 0.000 1.469 514 D HN 0.162 nan 8.370 nan 0.000 0.636 515 L N 0.857 122.130 121.223 0.083 0.000 2.261 515 L HA -0.033 4.302 4.340 -0.008 0.000 0.216 515 L C 1.492 178.418 176.870 0.093 0.000 1.114 515 L CA 1.597 56.515 54.840 0.130 0.000 0.777 515 L CB -0.066 42.060 42.059 0.113 0.000 0.910 515 L HN 0.254 nan 8.230 nan 0.000 0.440 516 D N -0.820 119.610 120.400 0.050 0.000 2.311 516 D HA -0.206 4.430 4.640 -0.008 0.000 0.212 516 D C 1.916 178.238 176.300 0.037 0.000 0.972 516 D CA 0.743 54.757 54.000 0.025 0.000 0.887 516 D CB 0.064 40.864 40.800 0.001 0.000 0.915 516 D HN 0.556 nan 8.370 nan 0.000 0.497 517 Q N -0.130 119.710 119.800 0.066 0.000 2.436 517 Q HA 0.004 4.339 4.340 -0.008 0.000 0.209 517 Q C 2.207 178.231 176.000 0.040 0.000 0.965 517 Q CA 0.111 55.955 55.803 0.067 0.000 0.910 517 Q CB 0.126 28.933 28.738 0.115 0.000 0.980 517 Q HN 0.374 nan 8.270 nan 0.000 0.491 518 L N 0.040 121.281 121.223 0.031 0.000 2.353 518 L HA -0.181 4.155 4.340 -0.008 0.000 0.220 518 L C 2.243 179.114 176.870 0.002 0.000 1.133 518 L CA 0.844 55.669 54.840 -0.025 0.000 0.798 518 L CB -0.243 41.814 42.059 -0.004 0.000 0.922 518 L HN 0.189 nan 8.230 nan 0.000 0.445 519 R N 0.240 120.749 120.500 0.015 0.000 2.152 519 R HA -0.149 4.186 4.340 -0.008 0.000 0.232 519 R C 2.020 178.322 176.300 0.003 0.000 1.117 519 R CA 0.965 57.072 56.100 0.013 0.000 0.981 519 R CB -0.001 30.304 30.300 0.007 0.000 0.870 519 R HN 0.335 nan 8.270 nan 0.000 0.451 520 K N 0.324 120.726 120.400 0.003 0.000 2.442 520 K HA -0.092 4.223 4.320 -0.008 0.000 0.198 520 K C 1.548 178.159 176.600 0.018 0.000 1.044 520 K CA 0.723 57.010 56.287 -0.001 0.000 0.948 520 K CB 0.042 32.555 32.500 0.022 0.000 0.762 520 K HN 0.228 nan 8.250 nan 0.000 0.472 521 L N 0.659 121.904 121.223 0.037 0.000 2.478 521 L HA -0.061 4.274 4.340 -0.008 0.000 0.223 521 L C 1.857 178.774 176.870 0.078 0.000 1.140 521 L CA 0.371 55.265 54.840 0.091 0.000 0.842 521 L CB -0.253 41.835 42.059 0.049 0.000 0.953 521 L HN 0.197 nan 8.230 nan 0.000 0.452 522 L N -0.790 120.440 121.223 0.012 0.000 2.265 522 L HA -0.161 4.174 4.340 -0.008 0.000 0.215 522 L C 2.399 179.220 176.870 -0.082 0.000 1.117 522 L CA 0.739 55.575 54.840 -0.007 0.000 0.782 522 L CB -0.304 41.745 42.059 -0.016 0.000 0.914 522 L HN 0.218 nan 8.230 nan 0.000 0.441 523 S N -1.213 114.359 115.700 -0.213 0.000 2.507 523 S HA -0.106 4.359 4.470 -0.008 0.000 0.235 523 S C 0.952 175.192 174.600 -0.600 0.000 0.988 523 S CA 0.779 58.720 58.200 -0.431 0.000 0.944 523 S CB -0.180 62.646 63.200 -0.623 0.000 0.762 523 S HN 0.430 nan 8.310 nan 0.000 0.526 524 Y N 0.067 120.293 120.300 -0.124 0.000 2.584 524 Y HA 0.228 4.775 4.550 -0.005 0.000 0.254 524 Y C 1.815 177.743 175.900 0.046 0.000 1.177 524 Y CA -0.648 57.392 58.100 -0.100 0.000 1.216 524 Y CB -0.424 37.813 38.460 -0.372 0.000 1.172 524 Y HN 0.155 nan 8.280 nan 0.000 0.529 525 V N -2.557 117.425 119.914 0.113 0.000 2.688 525 V HA -0.201 3.914 4.120 -0.008 0.000 0.256 525 V C 0.815 176.967 176.094 0.096 0.000 1.084 525 V CA 2.122 64.491 62.300 0.114 0.000 1.103 525 V CB -0.076 31.778 31.823 0.051 0.000 0.688 525 V HN 0.282 nan 8.190 nan 0.000 0.480 526 D N -0.558 119.884 120.400 0.071 0.000 2.431 526 D HA 0.138 4.774 4.640 -0.008 0.000 0.213 526 D C 0.287 176.635 176.300 0.081 0.000 1.130 526 D CA 0.039 54.073 54.000 0.057 0.000 0.834 526 D CB 0.226 41.037 40.800 0.019 0.000 0.985 526 D HN 0.525 nan 8.370 nan 0.000 0.504 527 D N 1.997 122.482 120.400 0.142 0.000 2.338 527 D HA -0.019 4.616 4.640 -0.008 0.000 0.255 527 D C 1.138 177.539 176.300 0.169 0.000 1.237 527 D CA 0.040 54.150 54.000 0.182 0.000 0.883 527 D CB 1.241 42.241 40.800 0.334 0.000 1.087 527 D HN -0.105 nan 8.370 nan 0.000 0.485 528 E N 2.914 123.181 120.200 0.111 0.000 2.153 528 E HA -0.165 4.180 4.350 -0.008 0.000 0.194 528 E C 1.626 178.279 176.600 0.087 0.000 0.988 528 E CA 0.668 57.118 56.400 0.083 0.000 0.811 528 E CB -0.057 29.675 29.700 0.054 0.000 0.746 528 E HN 0.622 nan 8.360 nan 0.000 0.466 529 A N 0.845 123.731 122.820 0.110 0.000 1.855 529 A HA -0.142 4.174 4.320 -0.008 0.000 0.215 529 A C 2.059 179.719 177.584 0.126 0.000 1.191 529 A CA 0.987 53.083 52.037 0.098 0.000 0.613 529 A CB -0.818 18.240 19.000 0.097 0.000 0.829 529 A HN 0.215 nan 8.150 nan 0.000 0.442 530 F N 0.679 120.624 119.950 -0.009 0.000 2.171 530 F HA -0.135 4.389 4.527 -0.005 0.000 0.300 530 F C 2.033 177.829 175.800 -0.007 0.000 1.090 530 F CA 1.213 59.190 58.000 -0.039 0.000 1.293 530 F CB -0.238 38.737 39.000 -0.042 0.000 1.013 530 F HN 0.166 nan 8.300 nan 0.000 0.486 531 I N -0.450 120.177 120.570 0.096 0.000 2.226 531 I HA -0.308 3.857 4.170 -0.008 0.000 0.245 531 I C 2.719 178.805 176.117 -0.052 0.000 1.100 531 I CA 1.360 62.665 61.300 0.008 0.000 1.374 531 I CB -0.519 37.515 38.000 0.057 0.000 1.057 531 I HN 0.068 nan 8.210 nan 0.000 0.413 532 R N 1.077 121.561 120.500 -0.027 0.000 2.070 532 R HA -0.196 4.139 4.340 -0.008 0.000 0.233 532 R C 1.857 178.109 176.300 -0.080 0.000 1.137 532 R CA 2.133 58.209 56.100 -0.039 0.000 0.945 532 R CB -0.216 30.076 30.300 -0.013 0.000 0.845 532 R HN 0.284 nan 8.270 nan 0.000 0.430 533 D N 0.079 120.413 120.400 -0.111 0.000 2.117 533 D HA -0.124 4.512 4.640 -0.008 0.000 0.197 533 D C 2.019 178.183 176.300 -0.226 0.000 0.987 533 D CA 1.129 55.038 54.000 -0.152 0.000 0.829 533 D CB -0.266 40.449 40.800 -0.142 0.000 0.961 533 D HN 0.088 nan 8.370 nan 0.000 0.460 534 V N 1.530 121.224 119.914 -0.366 0.000 2.287 534 V HA -0.267 3.848 4.120 -0.008 0.000 0.248 534 V C 2.540 178.539 176.094 -0.157 0.000 1.053 534 V CA 1.948 64.046 62.300 -0.337 0.000 1.027 534 V CB -0.829 30.747 31.823 -0.411 0.000 0.646 534 V HN 0.199 nan 8.190 nan 0.000 0.447 535 A N -0.525 122.225 122.820 -0.116 0.000 1.933 535 A HA -0.250 4.065 4.320 -0.008 0.000 0.218 535 A C 2.360 179.905 177.584 -0.066 0.000 1.175 535 A CA 2.101 54.100 52.037 -0.063 0.000 0.628 535 A CB -0.473 18.495 19.000 -0.054 0.000 0.814 535 A HN 0.526 nan 8.150 nan 0.000 0.444 536 K N -0.187 120.169 120.400 -0.073 0.000 2.026 536 K HA -0.102 4.214 4.320 -0.008 0.000 0.208 536 K C 1.873 178.443 176.600 -0.051 0.000 1.048 536 K CA 1.671 57.923 56.287 -0.057 0.000 0.929 536 K CB -0.327 32.141 32.500 -0.053 0.000 0.713 536 K HN 0.217 nan 8.250 nan 0.000 0.439 537 V N 1.845 121.721 119.914 -0.063 0.000 2.287 537 V HA -0.270 3.846 4.120 -0.008 0.000 0.248 537 V C 2.416 178.492 176.094 -0.030 0.000 1.053 537 V CA 2.155 64.428 62.300 -0.046 0.000 1.027 537 V CB -0.511 31.274 31.823 -0.063 0.000 0.646 537 V HN 0.378 nan 8.190 nan 0.000 0.447 538 K N 0.480 120.860 120.400 -0.034 0.000 2.103 538 K HA -0.243 4.073 4.320 -0.008 0.000 0.207 538 K C 2.114 178.688 176.600 -0.042 0.000 1.048 538 K CA 1.912 58.188 56.287 -0.019 0.000 0.930 538 K CB -0.434 32.069 32.500 0.004 0.000 0.716 538 K HN 0.478 nan 8.250 nan 0.000 0.444 539 Q N 0.751 120.519 119.800 -0.054 0.000 2.172 539 Q HA -0.063 4.273 4.340 -0.008 0.000 0.200 539 Q C 1.542 177.523 176.000 -0.032 0.000 0.964 539 Q CA 1.728 57.490 55.803 -0.069 0.000 0.855 539 Q CB 0.008 28.708 28.738 -0.064 0.000 0.918 539 Q HN 0.511 nan 8.270 nan 0.000 0.444 540 E N -0.348 119.844 120.200 -0.013 0.000 2.072 540 E HA -0.140 4.206 4.350 -0.008 0.000 0.191 540 E C 1.692 178.316 176.600 0.041 0.000 0.985 540 E CA 1.038 57.446 56.400 0.012 0.000 0.801 540 E CB -0.023 29.682 29.700 0.007 0.000 0.750 540 E HN 0.429 nan 8.360 nan 0.000 0.452 541 N N 1.003 119.726 118.700 0.039 0.000 2.166 541 N HA -0.142 4.593 4.740 -0.008 0.000 0.186 541 N C 1.460 177.055 175.510 0.143 0.000 1.019 541 N CA 1.070 54.167 53.050 0.079 0.000 0.856 541 N CB -0.107 38.413 38.487 0.056 0.000 0.993 541 N HN 0.104 nan 8.380 nan 0.000 0.426 542 K N 0.487 120.936 120.400 0.082 0.000 2.097 542 K HA 0.062 4.377 4.320 -0.008 0.000 0.205 542 K C 2.023 178.757 176.600 0.224 0.000 1.050 542 K CA 0.557 56.919 56.287 0.125 0.000 0.938 542 K CB -0.087 32.229 32.500 -0.306 0.000 0.718 542 K HN 0.119 nan 8.250 nan 0.000 0.442 543 L N 0.994 122.287 121.223 0.116 0.000 2.093 543 L HA -0.170 4.165 4.340 -0.008 0.000 0.208 543 L C 2.587 179.546 176.870 0.147 0.000 1.085 543 L CA 1.183 56.093 54.840 0.115 0.000 0.755 543 L CB -0.287 41.810 42.059 0.063 0.000 0.904 543 L HN 0.189 nan 8.230 nan 0.000 0.435 544 K N -0.146 120.348 120.400 0.157 0.000 2.025 544 K HA -0.216 4.099 4.320 -0.008 0.000 0.207 544 K C 2.183 178.920 176.600 0.229 0.000 1.049 544 K CA 1.527 57.911 56.287 0.162 0.000 0.933 544 K CB -0.161 32.423 32.500 0.140 0.000 0.714 544 K HN 0.076 nan 8.250 nan 0.000 0.438 545 F N 1.413 121.459 119.950 0.160 0.000 2.171 545 F HA -0.142 4.380 4.527 -0.007 0.000 0.300 545 F C 2.001 177.936 175.800 0.226 0.000 1.090 545 F CA 1.282 59.397 58.000 0.192 0.000 1.293 545 F CB -0.283 38.831 39.000 0.190 0.000 1.013 545 F HN 0.048 nan 8.300 nan 0.000 0.486 546 A N 0.265 123.234 122.820 0.248 0.000 1.902 546 A HA -0.063 4.253 4.320 -0.008 0.000 0.217 546 A C 2.411 180.002 177.584 0.011 0.000 1.181 546 A CA 1.692 53.791 52.037 0.104 0.000 0.623 546 A CB -1.499 17.599 19.000 0.163 0.000 0.818 546 A HN 0.452 nan 8.150 nan 0.000 0.443 547 A N -1.443 121.411 122.820 0.058 0.000 1.930 547 A HA -0.065 4.251 4.320 -0.008 0.000 0.217 547 A C 2.104 179.694 177.584 0.009 0.000 1.175 547 A CA 1.606 53.667 52.037 0.039 0.000 0.627 547 A CB -0.766 18.274 19.000 0.066 0.000 0.815 547 A HN 0.787 nan 8.150 nan 0.000 0.443 548 Y N 0.523 120.752 120.300 -0.118 0.000 2.114 548 Y HA -0.168 4.378 4.550 -0.007 0.000 0.284 548 Y C 1.923 177.727 175.900 -0.159 0.000 1.143 548 Y CA 1.916 59.926 58.100 -0.150 0.000 1.135 548 Y CB -0.413 37.917 38.460 -0.217 0.000 0.980 548 Y HN 0.185 nan 8.280 nan 0.000 0.499 549 L N 0.194 121.223 121.223 -0.324 0.000 2.079 549 L HA -0.208 4.128 4.340 -0.008 0.000 0.210 549 L C 2.469 179.242 176.870 -0.162 0.000 1.081 549 L CA 1.843 56.514 54.840 -0.281 0.000 0.752 549 L CB -0.529 41.379 42.059 -0.252 0.000 0.896 549 L HN 0.291 nan 8.230 nan 0.000 0.433 550 E N 0.468 120.595 120.200 -0.122 0.000 2.072 550 E HA -0.222 4.124 4.350 -0.008 0.000 0.190 550 E C 2.219 178.766 176.600 -0.088 0.000 0.982 550 E CA 1.195 57.563 56.400 -0.054 0.000 0.803 550 E CB -0.017 29.680 29.700 -0.004 0.000 0.755 550 E HN 0.234 nan 8.360 nan 0.000 0.453 551 R N 0.094 120.512 120.500 -0.137 0.000 2.062 551 R HA -0.106 4.230 4.340 -0.008 0.000 0.231 551 R C 1.804 177.960 176.300 -0.239 0.000 1.136 551 R CA 1.665 57.675 56.100 -0.150 0.000 0.948 551 R CB -0.128 30.097 30.300 -0.124 0.000 0.845 551 R HN 0.082 nan 8.270 nan 0.000 0.430 552 E N -0.534 119.409 120.200 -0.429 0.000 2.170 552 E HA -0.114 4.231 4.350 -0.008 0.000 0.191 552 E C 1.042 177.234 176.600 -0.680 0.000 0.981 552 E CA 1.123 57.148 56.400 -0.625 0.000 0.830 552 E CB 0.143 29.250 29.700 -0.990 0.000 0.775 552 E HN 0.535 nan 8.360 nan 0.000 0.470 553 Y N -0.490 119.662 120.300 -0.247 0.000 2.527 553 Y HA 0.254 4.799 4.550 -0.008 0.000 0.247 553 Y C 0.377 176.227 175.900 -0.083 0.000 1.138 553 Y CA -0.545 57.475 58.100 -0.133 0.000 1.228 553 Y CB 0.821 39.210 38.460 -0.117 0.000 1.252 553 Y HN -0.227 nan 8.280 nan 0.000 0.531 554 K N 0.234 120.647 120.400 0.021 0.000 3.160 554 K HA -0.129 4.187 4.320 -0.008 0.000 0.280 554 K C -0.930 175.705 176.600 0.058 0.000 1.154 554 K CA 0.346 56.651 56.287 0.029 0.000 0.822 554 K CB -1.948 30.570 32.500 0.029 0.000 1.239 554 K HN 0.151 nan 8.250 nan 0.000 0.489 555 V N 1.879 121.826 119.914 0.055 0.000 2.407 555 V HA 0.200 4.316 4.120 -0.008 0.000 0.278 555 V C 0.445 176.568 176.094 0.048 0.000 1.037 555 V CA -0.744 61.584 62.300 0.048 0.000 0.900 555 V CB 1.406 33.234 31.823 0.009 0.000 0.983 555 V HN 0.308 nan 8.190 nan 0.000 0.459 556 H N 6.719 125.785 119.070 -0.008 0.000 2.519 556 H HA 0.531 5.083 4.556 -0.007 0.000 0.316 556 H C -0.631 174.697 175.328 -0.000 0.000 1.065 556 H CA -0.519 55.529 56.048 0.000 0.000 1.264 556 H CB 1.354 31.119 29.762 0.006 0.000 1.413 556 H HN 0.714 nan 8.280 nan 0.000 0.465 557 I N 2.269 122.525 120.570 -0.523 0.000 2.603 557 I HA 0.338 4.503 4.170 -0.008 0.000 0.300 557 I C -0.085 175.793 176.117 -0.398 0.000 1.017 557 I CA -1.236 59.864 61.300 -0.333 0.000 1.098 557 I CB 1.779 39.670 38.000 -0.182 0.000 1.279 557 I HN 0.363 nan 8.210 nan 0.000 0.437 558 N N 6.908 125.544 118.700 -0.106 0.000 2.416 558 N HA 0.215 4.950 4.740 -0.008 0.000 0.265 558 N C -1.588 174.009 175.510 0.145 0.000 1.195 558 N CA -2.303 50.766 53.050 0.032 0.000 0.943 558 N CB 0.777 39.314 38.487 0.083 0.000 1.115 558 N HN 0.480 nan 8.380 nan 0.000 0.481 559 P HA -0.069 nan 4.420 nan 0.000 0.223 559 P C -0.508 176.785 177.300 -0.012 0.000 1.151 559 P CA 1.060 64.216 63.100 0.093 0.000 0.787 559 P CB 0.183 31.919 31.700 0.059 0.000 0.788 560 N N 0.065 118.783 118.700 0.028 0.000 2.714 560 N HA 0.125 4.860 4.740 -0.008 0.000 0.298 560 N C -0.244 175.284 175.510 0.031 0.000 1.298 560 N CA -0.309 52.748 53.050 0.013 0.000 1.007 560 N CB 0.184 38.691 38.487 0.032 0.000 1.318 560 N HN 0.146 nan 8.380 nan 0.000 0.516 561 S N -0.838 114.873 115.700 0.018 0.000 2.632 561 S HA 0.435 4.901 4.470 -0.008 0.000 0.289 561 S C -0.585 173.947 174.600 -0.114 0.000 1.115 561 S CA -1.028 57.169 58.200 -0.005 0.000 0.889 561 S CB 1.512 64.755 63.200 0.072 0.000 1.116 561 S HN 0.194 nan 8.310 nan 0.000 0.486 562 L N 2.149 123.169 121.223 -0.339 0.000 2.361 562 L HA 0.434 4.769 4.340 -0.008 0.000 0.278 562 L C -1.199 175.636 176.870 -0.058 0.000 1.113 562 L CA -0.633 53.839 54.840 -0.614 0.000 0.849 562 L CB -0.107 41.343 42.059 -1.016 0.000 1.155 562 L HN 0.667 nan 8.230 nan 0.000 0.452 563 F N 3.686 123.492 119.950 -0.240 0.000 2.423 563 F HA 0.169 4.692 4.527 -0.006 0.000 0.356 563 F C 0.392 176.107 175.800 -0.142 0.000 1.170 563 F CA -1.047 56.869 58.000 -0.140 0.000 1.163 563 F CB 0.010 38.964 39.000 -0.077 0.000 1.318 563 F HN 0.432 nan 8.300 nan 0.000 0.569 564 D N 3.922 124.312 120.400 -0.016 0.000 2.411 564 D HA 0.331 4.967 4.640 -0.008 0.000 0.225 564 D C -0.918 175.312 176.300 -0.116 0.000 1.156 564 D CA -0.060 53.889 54.000 -0.084 0.000 0.874 564 D CB 0.778 41.516 40.800 -0.104 0.000 1.034 564 D HN 0.120 nan 8.370 nan 0.000 0.502 565 V N 4.387 124.215 119.914 -0.142 0.000 2.417 565 V HA 0.378 4.493 4.120 -0.008 0.000 0.291 565 V C -0.016 175.921 176.094 -0.261 0.000 1.024 565 V CA -0.865 61.332 62.300 -0.172 0.000 0.861 565 V CB 1.544 33.340 31.823 -0.045 0.000 0.985 565 V HN 0.500 nan 8.190 nan 0.000 0.436 566 Q N 3.757 123.420 119.800 -0.228 0.000 2.401 566 Q HA 0.607 4.942 4.340 -0.008 0.000 0.260 566 Q C -1.277 174.547 176.000 -0.293 0.000 1.034 566 Q CA -0.459 55.199 55.803 -0.241 0.000 0.737 566 Q CB 1.842 30.469 28.738 -0.185 0.000 1.227 566 Q HN 0.827 nan 8.270 nan 0.000 0.488 567 V N 1.747 121.471 119.914 -0.316 0.000 2.407 567 V HA 0.839 4.955 4.120 -0.008 0.000 0.291 567 V C -0.872 174.904 176.094 -0.530 0.000 1.018 567 V CA -0.562 61.327 62.300 -0.684 0.000 0.842 567 V CB 1.042 32.173 31.823 -1.154 0.000 0.996 567 V HN 0.790 nan 8.190 nan 0.000 0.426 568 K N 2.637 122.798 120.400 -0.400 0.000 2.931 568 K HA 0.478 4.794 4.320 -0.008 0.000 0.292 568 K C -1.202 175.397 176.600 -0.002 0.000 1.077 568 K CA -1.209 55.038 56.287 -0.066 0.000 0.829 568 K CB 0.967 33.420 32.500 -0.077 0.000 1.488 568 K HN 0.392 nan 8.250 nan 0.000 0.358 569 R N 1.056 121.607 120.500 0.085 0.000 2.640 569 R HA 0.133 4.468 4.340 -0.008 0.000 0.270 569 R C 0.279 176.600 176.300 0.035 0.000 1.024 569 R CA -0.275 55.887 56.100 0.104 0.000 1.085 569 R CB -0.185 30.200 30.300 0.143 0.000 0.963 569 R HN 0.500 nan 8.270 nan 0.000 0.426 570 I N 4.869 125.475 120.570 0.060 0.000 2.406 570 I HA 0.060 4.226 4.170 -0.008 0.000 0.293 570 I C 0.843 176.941 176.117 -0.032 0.000 1.101 570 I CA 0.521 61.816 61.300 -0.009 0.000 1.334 570 I CB -0.740 37.255 38.000 -0.009 0.000 1.421 570 I HN 0.334 nan 8.210 nan 0.000 0.513 571 H N 5.259 124.223 119.070 -0.176 0.000 2.928 571 H HA 0.292 4.843 4.556 -0.008 0.000 0.371 571 H C 0.369 175.557 175.328 -0.233 0.000 1.186 571 H CA -0.438 55.533 56.048 -0.129 0.000 1.134 571 H CB 2.111 31.787 29.762 -0.144 0.000 1.824 571 H HN 0.533 nan 8.280 nan 0.000 0.554 572 E N 1.389 121.643 120.200 0.090 0.000 2.150 572 E HA -0.181 4.165 4.350 -0.008 0.000 0.193 572 E C 1.250 177.653 176.600 -0.330 0.000 0.985 572 E CA 1.216 57.606 56.400 -0.018 0.000 0.814 572 E CB 0.010 29.804 29.700 0.157 0.000 0.752 572 E HN 0.543 nan 8.360 nan 0.000 0.466 573 Y N 0.454 120.363 120.300 -0.651 0.000 2.509 573 Y HA 0.058 4.603 4.550 -0.008 0.000 0.293 573 Y C 1.486 177.165 175.900 -0.368 0.000 1.133 573 Y CA 0.656 58.181 58.100 -0.958 0.000 1.283 573 Y CB -0.009 37.837 38.460 -1.023 0.000 1.001 573 Y HN -0.224 nan 8.280 nan 0.000 0.555 574 K N 0.824 120.834 120.400 -0.651 0.000 2.400 574 K HA 0.141 4.456 4.320 -0.008 0.000 0.194 574 K C 0.116 176.571 176.600 -0.242 0.000 1.033 574 K CA 0.246 56.239 56.287 -0.489 0.000 1.021 574 K CB 0.063 32.255 32.500 -0.513 0.000 0.808 574 K HN 0.172 nan 8.250 nan 0.000 0.505 575 R N 0.295 120.682 120.500 -0.189 0.000 3.264 575 R HA -0.246 4.089 4.340 -0.008 0.000 0.251 575 R C 0.104 176.338 176.300 -0.109 0.000 0.971 575 R CA 0.215 56.248 56.100 -0.111 0.000 0.658 575 R CB -1.918 28.333 30.300 -0.081 0.000 1.095 575 R HN 0.286 nan 8.270 nan 0.000 0.443 576 Q N 0.263 119.997 119.800 -0.110 0.000 2.291 576 Q HA 0.011 4.346 4.340 -0.008 0.000 0.205 576 Q C 2.022 177.982 176.000 -0.065 0.000 0.970 576 Q CA 1.123 56.873 55.803 -0.089 0.000 0.876 576 Q CB 0.111 28.800 28.738 -0.081 0.000 0.935 576 Q HN 0.577 nan 8.270 nan 0.000 0.455 577 L N -0.655 120.533 121.223 -0.059 0.000 2.109 577 L HA -0.148 4.188 4.340 -0.008 0.000 0.207 577 L C 1.937 178.817 176.870 0.017 0.000 1.086 577 L CA 0.416 55.234 54.840 -0.037 0.000 0.760 577 L CB -0.296 41.750 42.059 -0.021 0.000 0.910 577 L HN 0.319 nan 8.230 nan 0.000 0.437 578 L N 0.214 121.443 121.223 0.011 0.000 2.046 578 L HA -0.260 4.075 4.340 -0.008 0.000 0.208 578 L C 2.014 178.963 176.870 0.132 0.000 1.077 578 L CA 2.023 56.888 54.840 0.040 0.000 0.747 578 L CB -0.935 41.039 42.059 -0.141 0.000 0.896 578 L HN 0.297 nan 8.230 nan 0.000 0.432 579 N N -1.809 116.930 118.700 0.064 0.000 2.166 579 N HA -0.229 4.506 4.740 -0.008 0.000 0.186 579 N C 1.951 177.556 175.510 0.158 0.000 1.019 579 N CA 1.484 54.656 53.050 0.203 0.000 0.856 579 N CB -0.132 38.397 38.487 0.070 0.000 0.993 579 N HN 0.500 nan 8.380 nan 0.000 0.426 580 C N 0.393 119.720 119.300 0.045 0.000 2.432 580 C HA -0.044 4.412 4.460 -0.008 0.000 0.277 580 C C 2.583 177.567 174.990 -0.009 0.000 1.249 580 C CA 0.346 59.337 59.018 -0.046 0.000 1.725 580 C CB -1.184 26.477 27.740 -0.132 0.000 2.028 580 C HN 0.514 nan 8.230 nan 0.000 0.477 581 L N -0.367 120.912 121.223 0.094 0.000 2.042 581 L HA -0.221 4.115 4.340 -0.008 0.000 0.210 581 L C 2.737 179.770 176.870 0.272 0.000 1.076 581 L CA 1.896 56.837 54.840 0.169 0.000 0.749 581 L CB -0.997 41.226 42.059 0.273 0.000 0.893 581 L HN 0.594 nan 8.230 nan 0.000 0.432 582 H N -0.365 118.830 119.070 0.208 0.000 2.353 582 H HA -0.139 4.413 4.556 -0.008 0.000 0.300 582 H C 2.254 177.583 175.328 0.001 0.000 1.090 582 H CA 1.812 57.899 56.048 0.065 0.000 1.327 582 H CB 0.329 30.049 29.762 -0.070 0.000 1.383 582 H HN 0.098 nan 8.280 nan 0.000 0.508 583 V N 1.520 121.340 119.914 -0.156 0.000 2.332 583 V HA -0.276 3.840 4.120 -0.008 0.000 0.248 583 V C 2.769 178.797 176.094 -0.110 0.000 1.055 583 V CA 1.898 64.069 62.300 -0.216 0.000 1.038 583 V CB -0.474 31.273 31.823 -0.126 0.000 0.651 583 V HN 0.401 nan 8.190 nan 0.000 0.450 584 I N -0.397 120.149 120.570 -0.041 0.000 2.394 584 I HA -0.203 3.962 4.170 -0.008 0.000 0.251 584 I C 2.481 178.682 176.117 0.140 0.000 1.136 584 I CA 1.559 62.913 61.300 0.090 0.000 1.425 584 I CB -0.620 37.402 38.000 0.037 0.000 1.079 584 I HN 0.310 nan 8.210 nan 0.000 0.425 585 T N 1.458 116.048 114.554 0.061 0.000 2.708 585 T HA -0.130 4.216 4.350 -0.008 0.000 0.266 585 T C 1.955 176.637 174.700 -0.031 0.000 1.037 585 T CA 1.297 63.431 62.100 0.056 0.000 1.146 585 T CB -0.301 68.624 68.868 0.095 0.000 0.865 585 T HN 0.254 nan 8.240 nan 0.000 0.435 586 L N -0.312 120.820 121.223 -0.151 0.000 2.083 586 L HA -0.112 4.224 4.340 -0.008 0.000 0.209 586 L C 2.390 179.235 176.870 -0.041 0.000 1.083 586 L CA 1.526 56.268 54.840 -0.163 0.000 0.752 586 L CB -0.592 41.293 42.059 -0.290 0.000 0.899 586 L HN 0.304 nan 8.230 nan 0.000 0.433 587 Y N 1.280 121.535 120.300 -0.075 0.000 2.200 587 Y HA -0.188 4.358 4.550 -0.008 0.000 0.290 587 Y C 2.449 178.354 175.900 0.008 0.000 1.137 587 Y CA 1.554 59.651 58.100 -0.005 0.000 1.163 587 Y CB -0.198 38.312 38.460 0.083 0.000 0.988 587 Y HN 0.179 nan 8.280 nan 0.000 0.518 588 N N 0.386 119.051 118.700 -0.059 0.000 2.244 588 N HA -0.104 4.632 4.740 -0.008 0.000 0.183 588 N C 1.829 177.237 175.510 -0.170 0.000 1.016 588 N CA 1.276 54.228 53.050 -0.163 0.000 0.866 588 N CB -0.334 38.145 38.487 -0.015 0.000 0.980 588 N HN 0.424 nan 8.380 nan 0.000 0.430 589 R N 0.270 120.700 120.500 -0.117 0.000 2.115 589 R HA 0.126 4.461 4.340 -0.008 0.000 0.230 589 R C 2.061 178.283 176.300 -0.130 0.000 1.111 589 R CA 0.570 56.607 56.100 -0.105 0.000 0.976 589 R CB -0.110 30.140 30.300 -0.083 0.000 0.870 589 R HN 0.229 nan 8.270 nan 0.000 0.445 590 I N 0.719 121.189 120.570 -0.165 0.000 2.286 590 I HA -0.225 3.940 4.170 -0.008 0.000 0.245 590 I C 1.895 177.903 176.117 -0.182 0.000 1.104 590 I CA 1.040 62.244 61.300 -0.161 0.000 1.397 590 I CB -0.008 37.900 38.000 -0.153 0.000 1.072 590 I HN -0.003 nan 8.210 nan 0.000 0.417 591 K N 1.010 121.243 120.400 -0.278 0.000 2.148 591 K HA -0.129 4.187 4.320 -0.008 0.000 0.204 591 K C 1.957 178.461 176.600 -0.159 0.000 1.050 591 K CA 1.228 57.363 56.287 -0.252 0.000 0.942 591 K CB -0.289 31.987 32.500 -0.374 0.000 0.724 591 K HN 0.330 nan 8.250 nan 0.000 0.446 592 K N 0.621 120.934 120.400 -0.145 0.000 2.155 592 K HA -0.044 4.271 4.320 -0.008 0.000 0.203 592 K C 0.339 176.893 176.600 -0.076 0.000 1.052 592 K CA 0.850 57.077 56.287 -0.100 0.000 0.948 592 K CB 0.221 32.667 32.500 -0.090 0.000 0.728 592 K HN 0.127 nan 8.250 nan 0.000 0.448 593 E N -0.278 119.876 120.200 -0.077 0.000 3.666 593 E HA 0.099 4.444 4.350 -0.008 0.000 0.230 593 E C -2.304 174.263 176.600 -0.055 0.000 1.235 593 E CA -1.432 54.936 56.400 -0.054 0.000 1.096 593 E CB 1.417 31.091 29.700 -0.044 0.000 1.287 593 E HN -0.033 nan 8.360 nan 0.000 0.406 594 P HA -0.205 nan 4.420 nan 0.000 0.215 594 P C 0.847 178.132 177.300 -0.025 0.000 1.157 594 P CA 1.158 64.230 63.100 -0.047 0.000 0.874 594 P CB 0.248 31.924 31.700 -0.040 0.000 0.790 595 N N -0.587 118.107 118.700 -0.011 0.000 2.520 595 N HA -0.106 4.630 4.740 -0.008 0.000 0.185 595 N C 0.753 176.281 175.510 0.030 0.000 1.068 595 N CA 0.663 53.719 53.050 0.011 0.000 0.911 595 N CB -0.441 38.052 38.487 0.010 0.000 0.961 595 N HN 0.288 nan 8.380 nan 0.000 0.446 596 K N 1.001 121.410 120.400 0.014 0.000 2.349 596 K HA 0.035 4.350 4.320 -0.008 0.000 0.289 596 K C -0.462 176.166 176.600 0.046 0.000 1.064 596 K CA -0.423 55.885 56.287 0.036 0.000 0.947 596 K CB 0.111 32.614 32.500 0.004 0.000 1.007 596 K HN -0.140 nan 8.250 nan 0.000 0.478 597 F N 5.432 125.370 119.950 -0.020 0.000 2.602 597 F HA 0.107 4.630 4.527 -0.008 0.000 0.367 597 F C -0.420 175.367 175.800 -0.022 0.000 1.126 597 F CA 0.173 58.162 58.000 -0.018 0.000 1.321 597 F CB 0.519 39.511 39.000 -0.013 0.000 1.094 597 F HN 0.223 nan 8.300 nan 0.000 0.594 598 V N 4.039 123.255 119.914 -1.163 0.000 2.888 598 V HA 0.443 4.559 4.120 -0.008 0.000 0.309 598 V C -0.698 174.718 176.094 -1.129 0.000 1.114 598 V CA -1.330 60.481 62.300 -0.815 0.000 0.940 598 V CB 0.799 32.381 31.823 -0.402 0.000 1.021 598 V HN 0.632 nan 8.190 nan 0.000 0.426 599 V N 4.762 124.321 119.914 -0.592 0.000 2.493 599 V HA 0.155 4.270 4.120 -0.008 0.000 0.292 599 V C -1.806 174.108 176.094 -0.299 0.000 1.016 599 V CA -0.324 61.793 62.300 -0.306 0.000 1.097 599 V CB 0.389 32.153 31.823 -0.098 0.000 0.947 599 V HN 0.888 nan 8.190 nan 0.000 0.479 600 P HA 0.237 nan 4.420 nan 0.000 0.265 600 P C -0.317 176.882 177.300 -0.168 0.000 1.193 600 P CA 0.170 63.173 63.100 -0.160 0.000 0.765 600 P CB 0.454 32.114 31.700 -0.066 0.000 0.823 601 R N 1.359 121.773 120.500 -0.144 0.000 2.686 601 R HA 0.535 4.870 4.340 -0.008 0.000 0.283 601 R C -0.782 175.468 176.300 -0.083 0.000 0.978 601 R CA -0.573 55.444 56.100 -0.138 0.000 0.897 601 R CB 1.950 32.148 30.300 -0.169 0.000 1.192 601 R HN 0.288 nan 8.270 nan 0.000 0.457 602 T N 2.410 116.930 114.554 -0.057 0.000 2.963 602 T HA 0.211 4.557 4.350 -0.008 0.000 0.343 602 T C -0.397 174.217 174.700 -0.143 0.000 1.146 602 T CA -0.432 61.607 62.100 -0.101 0.000 1.016 602 T CB 0.865 69.638 68.868 -0.158 0.000 1.046 602 T HN 0.147 nan 8.240 nan 0.000 0.496 603 V N 5.844 125.681 119.914 -0.128 0.000 2.408 603 V HA 0.371 4.487 4.120 -0.008 0.000 0.267 603 V C 0.209 176.219 176.094 -0.141 0.000 1.047 603 V CA -0.261 61.964 62.300 -0.124 0.000 0.937 603 V CB 0.396 32.159 31.823 -0.100 0.000 0.999 603 V HN 0.832 nan 8.190 nan 0.000 0.472 604 M N 6.883 126.382 119.600 -0.168 0.000 2.167 604 M HA 0.597 5.073 4.480 -0.008 0.000 0.333 604 M C -0.918 175.252 176.300 -0.216 0.000 1.030 604 M CA -0.107 55.078 55.300 -0.191 0.000 0.963 604 M CB 1.701 34.168 32.600 -0.222 0.000 1.589 604 M HN 0.416 nan 8.290 nan 0.000 0.431 605 I N 1.926 122.348 120.570 -0.248 0.000 2.465 605 I HA 0.851 5.016 4.170 -0.008 0.000 0.291 605 I C 0.210 175.910 176.117 -0.694 0.000 1.014 605 I CA -0.661 60.450 61.300 -0.316 0.000 1.093 605 I CB 2.235 40.155 38.000 -0.133 0.000 1.267 605 I HN 0.797 nan 8.210 nan 0.000 0.431 606 G N 2.820 111.198 108.800 -0.703 0.000 2.690 606 G HA2 0.838 4.793 3.960 -0.008 0.000 0.291 606 G HA3 0.838 4.793 3.960 -0.008 0.000 0.291 606 G C -0.940 173.637 174.900 -0.538 0.000 1.403 606 G CA -0.716 43.835 45.100 -0.914 0.000 0.864 606 G HN 1.013 nan 8.290 nan 0.000 0.480 607 G N -0.596 108.069 108.800 -0.226 0.000 2.321 607 G HA2 0.378 4.333 3.960 -0.008 0.000 0.339 607 G HA3 0.378 4.333 3.960 -0.008 0.000 0.339 607 G C -1.364 173.683 174.900 0.245 0.000 1.518 607 G CA -1.015 44.133 45.100 0.081 0.000 0.994 607 G HN 0.601 nan 8.290 nan 0.000 0.668 608 K N -0.123 120.410 120.400 0.221 0.000 2.138 608 K HA 0.758 5.073 4.320 -0.008 0.000 0.263 608 K C 0.281 177.035 176.600 0.256 0.000 0.965 608 K CA -0.135 56.296 56.287 0.241 0.000 0.868 608 K CB 2.001 34.529 32.500 0.047 0.000 1.083 608 K HN 0.930 nan 8.250 nan 0.000 0.443 609 A N 1.591 124.590 122.820 0.299 0.000 2.305 609 A HA 0.643 4.959 4.320 -0.008 0.000 0.322 609 A C -0.475 177.285 177.584 0.293 0.000 1.187 609 A CA -0.710 51.439 52.037 0.187 0.000 0.825 609 A CB 0.991 20.014 19.000 0.039 0.000 1.164 609 A HN 0.777 nan 8.150 nan 0.000 0.498 610 A N 3.669 126.655 122.820 0.276 0.000 2.520 610 A HA 0.531 4.846 4.320 -0.008 0.000 0.245 610 A C -2.404 175.264 177.584 0.140 0.000 1.072 610 A CA -1.010 51.188 52.037 0.270 0.000 0.761 610 A CB -0.660 18.499 19.000 0.265 0.000 1.004 610 A HN 0.557 nan 8.150 nan 0.000 0.499 611 P HA 0.259 nan 4.420 nan 0.000 0.262 611 P C 1.073 178.374 177.300 0.001 0.000 1.199 611 P CA 1.737 64.779 63.100 -0.098 0.000 0.763 611 P CB 0.673 32.230 31.700 -0.238 0.000 0.790 612 G N 2.757 111.569 108.800 0.021 0.000 2.259 612 G HA2 -0.272 3.684 3.960 -0.008 0.000 0.217 612 G HA3 -0.272 3.684 3.960 -0.008 0.000 0.217 612 G C -0.210 174.751 174.900 0.101 0.000 1.001 612 G CA -0.507 44.620 45.100 0.045 0.000 0.627 612 G HN 0.511 nan 8.290 nan 0.000 0.501 613 Y N 3.052 123.316 120.300 -0.061 0.000 2.616 613 Y HA 0.501 5.046 4.550 -0.008 0.000 0.350 613 Y C 1.484 177.375 175.900 -0.016 0.000 1.119 613 Y CA -0.573 57.468 58.100 -0.098 0.000 1.467 613 Y CB -0.460 37.910 38.460 -0.150 0.000 1.287 613 Y HN 0.428 nan 8.280 nan 0.000 0.504 614 H N 3.745 122.922 119.070 0.179 0.000 2.319 614 H HA -0.256 4.296 4.556 -0.007 0.000 0.297 614 H C 1.968 177.316 175.328 0.035 0.000 1.097 614 H CA 2.917 59.017 56.048 0.088 0.000 1.285 614 H CB 0.228 30.036 29.762 0.077 0.000 1.368 614 H HN 0.617 nan 8.280 nan 0.000 0.495 615 M N 0.325 119.933 119.600 0.013 0.000 2.086 615 M HA -0.038 4.438 4.480 -0.008 0.000 0.261 615 M C 2.433 178.486 176.300 -0.413 0.000 1.067 615 M CA 1.941 57.145 55.300 -0.160 0.000 1.116 615 M CB -0.801 31.824 32.600 0.042 0.000 1.348 615 M HN 0.383 nan 8.290 nan 0.000 0.407 616 A N -0.572 121.721 122.820 -0.877 0.000 1.978 616 A HA -0.206 4.109 4.320 -0.008 0.000 0.220 616 A C 2.157 179.517 177.584 -0.373 0.000 1.170 616 A CA 1.971 53.533 52.037 -0.792 0.000 0.636 616 A CB -0.662 17.627 19.000 -1.184 0.000 0.810 616 A HN 0.619 nan 8.150 nan 0.000 0.448 617 K N -1.433 118.803 120.400 -0.273 0.000 2.186 617 K HA 0.092 4.407 4.320 -0.008 0.000 0.202 617 K C 1.835 178.372 176.600 -0.105 0.000 1.052 617 K CA 0.799 57.018 56.287 -0.114 0.000 0.965 617 K CB -0.110 32.389 32.500 -0.001 0.000 0.746 617 K HN 0.278 nan 8.250 nan 0.000 0.457 618 M N 0.668 120.166 119.600 -0.171 0.000 2.175 618 M HA -0.057 4.419 4.480 -0.008 0.000 0.264 618 M C 2.012 178.235 176.300 -0.128 0.000 1.063 618 M CA 1.435 56.667 55.300 -0.113 0.000 1.119 618 M CB -0.502 32.018 32.600 -0.133 0.000 1.377 618 M HN 0.121 nan 8.290 nan 0.000 0.415 619 I N -0.438 120.022 120.570 -0.182 0.000 2.252 619 I HA -0.298 3.867 4.170 -0.008 0.000 0.245 619 I C 2.258 178.237 176.117 -0.230 0.000 1.102 619 I CA 1.023 62.205 61.300 -0.196 0.000 1.385 619 I CB -0.297 37.590 38.000 -0.188 0.000 1.064 619 I HN 0.170 nan 8.210 nan 0.000 0.414 620 I N 0.697 121.108 120.570 -0.266 0.000 2.286 620 I HA -0.289 3.877 4.170 -0.008 0.000 0.248 620 I C 2.546 178.365 176.117 -0.496 0.000 1.115 620 I CA 1.195 62.232 61.300 -0.440 0.000 1.392 620 I CB -0.257 37.440 38.000 -0.507 0.000 1.065 620 I HN 0.162 nan 8.210 nan 0.000 0.418 621 K N 1.245 121.375 120.400 -0.451 0.000 2.148 621 K HA -0.177 4.139 4.320 -0.008 0.000 0.204 621 K C 1.905 178.336 176.600 -0.281 0.000 1.050 621 K CA 1.278 57.225 56.287 -0.567 0.000 0.942 621 K CB -0.375 31.524 32.500 -1.001 0.000 0.724 621 K HN 0.124 nan 8.250 nan 0.000 0.446 622 L N 0.623 121.694 121.223 -0.253 0.000 2.109 622 L HA 0.061 4.396 4.340 -0.008 0.000 0.207 622 L C 1.831 178.471 176.870 -0.383 0.000 1.086 622 L CA 1.498 56.036 54.840 -0.504 0.000 0.760 622 L CB -0.370 41.266 42.059 -0.705 0.000 0.910 622 L HN 0.242 nan 8.230 nan 0.000 0.437 623 I N -0.442 119.957 120.570 -0.286 0.000 2.179 623 I HA -0.319 3.847 4.170 -0.008 0.000 0.242 623 I C 2.405 178.432 176.117 -0.151 0.000 1.088 623 I CA 1.860 63.051 61.300 -0.182 0.000 1.357 623 I CB -0.847 37.132 38.000 -0.036 0.000 1.051 623 I HN 0.463 nan 8.210 nan 0.000 0.409 624 T N -0.944 113.493 114.554 -0.195 0.000 2.904 624 T HA -0.006 4.339 4.350 -0.008 0.000 0.267 624 T C 1.976 176.616 174.700 -0.100 0.000 1.059 624 T CA 0.838 62.854 62.100 -0.139 0.000 1.137 624 T CB -0.376 68.371 68.868 -0.202 0.000 0.879 624 T HN 0.325 nan 8.240 nan 0.000 0.467 625 A N 1.429 124.185 122.820 -0.107 0.000 1.930 625 A HA 0.163 4.478 4.320 -0.008 0.000 0.217 625 A C 2.348 179.954 177.584 0.038 0.000 1.175 625 A CA 1.182 53.224 52.037 0.009 0.000 0.627 625 A CB -0.772 18.344 19.000 0.194 0.000 0.815 625 A HN 0.596 nan 8.150 nan 0.000 0.443 626 I N -0.444 120.055 120.570 -0.117 0.000 2.202 626 I HA -0.154 4.011 4.170 -0.008 0.000 0.242 626 I C 2.693 178.782 176.117 -0.046 0.000 1.091 626 I CA 1.075 62.291 61.300 -0.139 0.000 1.368 626 I CB -0.597 37.178 38.000 -0.374 0.000 1.058 626 I HN 0.380 nan 8.210 nan 0.000 0.410 627 G N 0.256 109.016 108.800 -0.067 0.000 2.450 627 G HA2 -0.239 3.716 3.960 -0.008 0.000 0.220 627 G HA3 -0.239 3.716 3.960 -0.008 0.000 0.220 627 G C 1.273 176.173 174.900 0.001 0.000 1.130 627 G CA 0.791 45.860 45.100 -0.052 0.000 0.760 627 G HN 0.285 nan 8.290 nan 0.000 0.557 628 D N -0.078 120.352 120.400 0.050 0.000 2.178 628 D HA -0.057 4.579 4.640 -0.008 0.000 0.201 628 D C 2.612 179.007 176.300 0.159 0.000 0.980 628 D CA 0.546 54.631 54.000 0.142 0.000 0.842 628 D CB 0.140 40.966 40.800 0.043 0.000 0.948 628 D HN 0.259 nan 8.370 nan 0.000 0.472 629 V N 0.047 119.962 119.914 0.001 0.000 2.341 629 V HA -0.122 3.993 4.120 -0.008 0.000 0.240 629 V C 2.596 178.611 176.094 -0.132 0.000 1.035 629 V CA 0.560 62.776 62.300 -0.138 0.000 1.033 629 V CB -0.233 31.356 31.823 -0.391 0.000 0.678 629 V HN -0.022 nan 8.190 nan 0.000 0.464 630 V N 1.248 121.022 119.914 -0.233 0.000 2.231 630 V HA -0.292 3.824 4.120 -0.008 0.000 0.248 630 V C 2.191 178.241 176.094 -0.074 0.000 1.054 630 V CA 2.441 64.617 62.300 -0.207 0.000 1.015 630 V CB -0.989 30.724 31.823 -0.183 0.000 0.638 630 V HN 0.593 nan 8.190 nan 0.000 0.444 631 N N -0.441 118.173 118.700 -0.145 0.000 2.519 631 N HA -0.123 4.613 4.740 -0.008 0.000 0.186 631 N C 1.217 176.445 175.510 -0.470 0.000 1.062 631 N CA 1.066 53.938 53.050 -0.297 0.000 0.910 631 N CB -0.363 37.885 38.487 -0.399 0.000 0.958 631 N HN 0.721 nan 8.380 nan 0.000 0.445 632 H N -1.672 117.396 119.070 -0.004 0.000 2.923 632 H HA 0.206 4.757 4.556 -0.007 0.000 0.268 632 H C -0.500 174.843 175.328 0.025 0.000 1.148 632 H CA -0.525 55.525 56.048 0.003 0.000 1.146 632 H CB 0.625 30.376 29.762 -0.017 0.000 1.607 632 H HN -0.012 nan 8.280 nan 0.000 0.566 633 D N 2.366 122.841 120.400 0.125 0.000 2.325 633 D HA 0.016 4.652 4.640 -0.008 0.000 0.251 633 D C -1.408 174.954 176.300 0.102 0.000 1.196 633 D CA -1.987 52.104 54.000 0.150 0.000 0.866 633 D CB 1.694 42.663 40.800 0.281 0.000 1.101 633 D HN 0.148 nan 8.370 nan 0.000 0.476 634 P HA -0.118 nan 4.420 nan 0.000 0.220 634 P C 1.604 178.929 177.300 0.041 0.000 1.148 634 P CA 0.343 63.474 63.100 0.052 0.000 0.803 634 P CB 0.499 32.225 31.700 0.043 0.000 0.782 635 V N 0.088 120.028 119.914 0.044 0.000 2.358 635 V HA -0.173 3.942 4.120 -0.008 0.000 0.246 635 V C 2.737 178.841 176.094 0.015 0.000 1.047 635 V CA 1.642 63.953 62.300 0.019 0.000 1.035 635 V CB -0.948 30.876 31.823 0.002 0.000 0.658 635 V HN -0.038 nan 8.190 nan 0.000 0.452 636 V N -0.361 119.579 119.914 0.044 0.000 2.379 636 V HA 0.138 4.254 4.120 -0.008 0.000 0.245 636 V C 1.806 177.914 176.094 0.023 0.000 1.044 636 V CA 1.280 63.605 62.300 0.041 0.000 1.036 636 V CB -1.317 30.578 31.823 0.120 0.000 0.664 636 V HN 0.716 nan 8.190 nan 0.000 0.453 637 G N 1.912 110.730 108.800 0.029 0.000 2.594 637 G HA2 -0.395 3.560 3.960 -0.008 0.000 0.297 637 G HA3 -0.395 3.560 3.960 -0.008 0.000 0.297 637 G C 0.323 175.230 174.900 0.012 0.000 1.273 637 G CA 0.547 45.658 45.100 0.018 0.000 0.974 637 G HN 0.689 nan 8.290 nan 0.000 0.552 638 D N 0.373 120.784 120.400 0.019 0.000 2.344 638 D HA 0.129 4.765 4.640 -0.008 0.000 0.242 638 D C 1.868 178.170 176.300 0.003 0.000 1.159 638 D CA 0.263 54.279 54.000 0.026 0.000 0.859 638 D CB -0.140 40.697 40.800 0.062 0.000 0.925 638 D HN 0.597 nan 8.370 nan 0.000 0.510 639 R N -0.823 119.666 120.500 -0.017 0.000 2.200 639 R HA 0.222 4.558 4.340 -0.008 0.000 0.208 639 R C -0.012 176.243 176.300 -0.074 0.000 1.033 639 R CA 0.246 56.311 56.100 -0.059 0.000 1.000 639 R CB 0.237 30.491 30.300 -0.078 0.000 0.906 639 R HN 0.143 nan 8.270 nan 0.000 0.462 640 L N 0.023 121.220 121.223 -0.043 0.000 2.562 640 L HA 0.416 4.751 4.340 -0.008 0.000 0.266 640 L C -1.727 175.117 176.870 -0.042 0.000 0.949 640 L CA -0.656 54.153 54.840 -0.051 0.000 0.879 640 L CB 1.913 43.952 42.059 -0.033 0.000 1.278 640 L HN -0.240 nan 8.230 nan 0.000 0.404 641 R N 2.954 123.417 120.500 -0.063 0.000 2.575 641 R HA 0.868 5.203 4.340 -0.008 0.000 0.293 641 R C -1.742 174.505 176.300 -0.088 0.000 0.983 641 R CA -0.517 55.539 56.100 -0.072 0.000 0.887 641 R CB 2.251 32.511 30.300 -0.066 0.000 1.184 641 R HN 0.436 nan 8.270 nan 0.000 0.445 642 V N 6.086 125.948 119.914 -0.087 0.000 2.378 642 V HA 0.527 4.642 4.120 -0.008 0.000 0.288 642 V C -0.026 176.029 176.094 -0.065 0.000 1.016 642 V CA -0.719 61.531 62.300 -0.083 0.000 0.840 642 V CB 0.890 32.661 31.823 -0.086 0.000 0.994 642 V HN 0.725 nan 8.190 nan 0.000 0.431 643 I N 0.993 121.525 120.570 -0.064 0.000 2.689 643 I HA 0.715 4.880 4.170 -0.008 0.000 0.299 643 I C -1.377 174.735 176.117 -0.008 0.000 1.059 643 I CA -0.868 60.412 61.300 -0.033 0.000 1.055 643 I CB 2.406 40.370 38.000 -0.061 0.000 1.243 643 I HN 0.452 nan 8.210 nan 0.000 0.425 644 F N 6.195 126.085 119.950 -0.100 0.000 2.385 644 F HA 0.560 5.083 4.527 -0.007 0.000 0.360 644 F C -0.556 175.188 175.800 -0.093 0.000 1.122 644 F CA -0.709 57.234 58.000 -0.095 0.000 1.090 644 F CB 1.132 40.077 39.000 -0.091 0.000 1.150 644 F HN 0.377 nan 8.300 nan 0.000 0.472 645 L N 5.944 126.863 121.223 -0.507 0.000 2.456 645 L HA 0.174 4.509 4.340 -0.008 0.000 0.277 645 L C 0.506 177.233 176.870 -0.239 0.000 1.124 645 L CA -0.036 54.632 54.840 -0.287 0.000 0.880 645 L CB 0.270 42.229 42.059 -0.168 0.000 1.192 645 L HN 0.633 nan 8.230 nan 0.000 0.463 646 E N 4.044 124.186 120.200 -0.098 0.000 2.392 646 E HA -0.096 4.250 4.350 -0.008 0.000 0.264 646 E C 0.372 177.057 176.600 0.140 0.000 1.024 646 E CA -0.348 56.099 56.400 0.078 0.000 0.903 646 E CB 0.402 30.090 29.700 -0.020 0.000 0.963 646 E HN 0.577 nan 8.360 nan 0.000 0.432 647 N N 2.653 121.479 118.700 0.209 0.000 2.688 647 N HA -0.287 4.449 4.740 -0.008 0.000 0.258 647 N C -1.608 173.997 175.510 0.159 0.000 1.016 647 N CA 0.578 53.735 53.050 0.179 0.000 0.747 647 N CB -1.435 37.171 38.487 0.198 0.000 0.895 647 N HN 0.466 nan 8.380 nan 0.000 0.543 648 Y N 1.841 122.153 120.300 0.020 0.000 2.632 648 Y HA 0.221 4.766 4.550 -0.008 0.000 0.329 648 Y C 1.047 176.959 175.900 0.020 0.000 1.174 648 Y CA 0.262 58.358 58.100 -0.006 0.000 1.469 648 Y CB 0.311 38.735 38.460 -0.060 0.000 1.242 648 Y HN 0.379 nan 8.280 nan 0.000 0.540 649 R N 2.839 123.025 120.500 -0.522 0.000 2.766 649 R HA 0.454 4.789 4.340 -0.008 0.000 0.270 649 R C -0.290 175.680 176.300 -0.550 0.000 1.035 649 R CA -0.632 55.208 56.100 -0.434 0.000 0.911 649 R CB 0.465 30.697 30.300 -0.113 0.000 1.243 649 R HN 0.396 nan 8.270 nan 0.000 0.460 650 V N 1.160 120.765 119.914 -0.514 0.000 2.250 650 V HA -0.334 3.782 4.120 -0.008 0.000 0.250 650 V C 2.619 178.582 176.094 -0.219 0.000 1.060 650 V CA 3.038 65.108 62.300 -0.385 0.000 1.030 650 V CB -0.846 30.726 31.823 -0.418 0.000 0.643 650 V HN 0.955 nan 8.190 nan 0.000 0.445 651 S N -0.300 115.290 115.700 -0.184 0.000 2.399 651 S HA -0.167 4.298 4.470 -0.008 0.000 0.231 651 S C 1.904 176.439 174.600 -0.109 0.000 1.022 651 S CA 1.670 59.789 58.200 -0.136 0.000 0.983 651 S CB -0.453 62.692 63.200 -0.091 0.000 0.803 651 S HN 0.391 nan 8.310 nan 0.000 0.480 652 L N 2.002 123.161 121.223 -0.107 0.000 2.109 652 L HA 0.357 4.692 4.340 -0.008 0.000 0.207 652 L C 2.689 179.566 176.870 0.012 0.000 1.086 652 L CA 1.422 56.239 54.840 -0.039 0.000 0.760 652 L CB -1.413 40.676 42.059 0.050 0.000 0.910 652 L HN 0.352 nan 8.230 nan 0.000 0.437 653 A N -0.743 122.053 122.820 -0.041 0.000 1.978 653 A HA -0.237 4.078 4.320 -0.008 0.000 0.220 653 A C 2.133 179.782 177.584 0.108 0.000 1.170 653 A CA 1.871 53.961 52.037 0.089 0.000 0.636 653 A CB -0.587 18.438 19.000 0.041 0.000 0.810 653 A HN 0.610 nan 8.150 nan 0.000 0.448 654 E N -0.652 119.598 120.200 0.084 0.000 2.347 654 E HA -0.105 4.240 4.350 -0.008 0.000 0.196 654 E C 1.827 178.426 176.600 -0.001 0.000 1.008 654 E CA 0.892 57.317 56.400 0.042 0.000 0.852 654 E CB 0.010 29.647 29.700 -0.104 0.000 0.783 654 E HN 0.605 nan 8.360 nan 0.000 0.505 655 K N -0.026 120.367 120.400 -0.012 0.000 2.141 655 K HA 0.037 4.353 4.320 -0.008 0.000 0.202 655 K C 2.106 178.716 176.600 0.017 0.000 1.045 655 K CA 0.355 56.662 56.287 0.032 0.000 0.971 655 K CB 0.114 32.600 32.500 -0.023 0.000 0.795 655 K HN -0.048 nan 8.250 nan 0.000 0.459 656 V N 1.824 121.640 119.914 -0.163 0.000 2.535 656 V HA -0.114 4.001 4.120 -0.008 0.000 0.246 656 V C 1.945 177.824 176.094 -0.358 0.000 1.045 656 V CA 1.129 63.053 62.300 -0.627 0.000 1.058 656 V CB -0.111 31.326 31.823 -0.643 0.000 0.689 656 V HN 0.226 nan 8.190 nan 0.000 0.461 657 I N 0.873 121.271 120.570 -0.286 0.000 2.163 657 I HA -0.144 4.022 4.170 -0.008 0.000 0.243 657 I C -0.346 175.648 176.117 -0.206 0.000 1.085 657 I CA 1.684 62.714 61.300 -0.450 0.000 1.347 657 I CB -1.481 36.122 38.000 -0.661 0.000 1.044 657 I HN 0.377 nan 8.210 nan 0.000 0.408 658 P HA -0.088 nan 4.420 nan 0.000 0.228 658 P C 0.679 177.990 177.300 0.018 0.000 1.151 658 P CA 1.062 64.150 63.100 -0.020 0.000 0.770 658 P CB 0.044 31.748 31.700 0.007 0.000 0.786 659 A N -1.359 121.467 122.820 0.010 0.000 2.387 659 A HA 0.567 4.882 4.320 -0.008 0.000 0.234 659 A C 1.005 178.694 177.584 0.175 0.000 1.253 659 A CA -0.075 52.015 52.037 0.089 0.000 0.894 659 A CB -0.398 18.695 19.000 0.157 0.000 0.963 659 A HN 0.177 nan 8.150 nan 0.000 0.508 660 A N -0.179 122.739 122.820 0.164 0.000 2.327 660 A HA 0.527 4.842 4.320 -0.008 0.000 0.283 660 A C 0.287 178.022 177.584 0.251 0.000 1.127 660 A CA -0.313 51.882 52.037 0.265 0.000 0.810 660 A CB 0.447 19.713 19.000 0.442 0.000 1.066 660 A HN 0.241 nan 8.150 nan 0.000 0.492 661 D N 0.467 121.011 120.400 0.240 0.000 2.369 661 D HA 0.081 4.717 4.640 -0.008 0.000 0.231 661 D C -0.146 176.389 176.300 0.393 0.000 0.967 661 D CA 0.937 55.144 54.000 0.344 0.000 0.905 661 D CB 0.188 41.093 40.800 0.174 0.000 1.044 661 D HN 0.358 nan 8.370 nan 0.000 0.487 662 L N 0.656 121.979 121.223 0.167 0.000 2.333 662 L HA 0.333 4.669 4.340 -0.008 0.000 0.280 662 L C -0.629 176.121 176.870 -0.200 0.000 1.004 662 L CA -0.524 54.334 54.840 0.031 0.000 0.820 662 L CB 2.007 44.053 42.059 -0.021 0.000 1.247 662 L HN -0.278 nan 8.230 nan 0.000 0.416 663 S N 4.477 119.970 115.700 -0.346 0.000 2.420 663 S HA 0.405 4.871 4.470 -0.008 0.000 0.313 663 S C -0.512 173.796 174.600 -0.487 0.000 1.079 663 S CA -0.653 57.064 58.200 -0.804 0.000 1.104 663 S CB 0.198 62.898 63.200 -0.834 0.000 0.969 663 S HN 0.629 nan 8.310 nan 0.000 0.471 664 E N 4.147 124.072 120.200 -0.458 0.000 2.105 664 E HA 0.181 4.527 4.350 -0.008 0.000 0.285 664 E C -0.410 176.079 176.600 -0.186 0.000 1.055 664 E CA -0.315 55.956 56.400 -0.216 0.000 0.843 664 E CB 0.858 30.465 29.700 -0.154 0.000 1.067 664 E HN 0.630 nan 8.360 nan 0.000 0.398 665 Q N 2.790 122.541 119.800 -0.082 0.000 2.928 665 Q HA 0.228 4.564 4.340 -0.008 0.000 0.353 665 Q C 0.631 176.618 176.000 -0.021 0.000 0.870 665 Q CA -0.111 55.656 55.803 -0.061 0.000 0.963 665 Q CB 0.164 28.878 28.738 -0.041 0.000 1.419 665 Q HN 0.619 nan 8.270 nan 0.000 0.396 666 I N -1.411 119.141 120.570 -0.030 0.000 3.837 666 I HA 0.242 4.407 4.170 -0.008 0.000 0.332 666 I C 0.385 176.454 176.117 -0.079 0.000 1.484 666 I CA -0.514 60.773 61.300 -0.021 0.000 1.223 666 I CB -0.033 37.950 38.000 -0.028 0.000 1.257 666 I HN -0.031 nan 8.210 nan 0.000 0.421 667 S N 0.533 116.191 115.700 -0.072 0.000 2.585 667 S HA 0.213 4.678 4.470 -0.008 0.000 0.273 667 S C 0.532 175.119 174.600 -0.021 0.000 1.339 667 S CA -0.363 57.822 58.200 -0.025 0.000 1.028 667 S CB 0.623 63.861 63.200 0.063 0.000 0.906 667 S HN 0.421 nan 8.310 nan 0.000 0.528 668 T N 2.904 117.482 114.554 0.041 0.000 2.902 668 T HA 0.368 4.714 4.350 -0.008 0.000 0.301 668 T C 0.758 175.462 174.700 0.006 0.000 1.012 668 T CA 0.282 62.403 62.100 0.035 0.000 1.151 668 T CB -0.047 68.910 68.868 0.149 0.000 0.946 668 T HN 1.029 nan 8.240 nan 0.000 0.542 669 A N 2.796 125.585 122.820 -0.051 0.000 2.580 669 A HA 0.443 4.758 4.320 -0.008 0.000 0.244 669 A C 1.656 179.223 177.584 -0.028 0.000 1.045 669 A CA 0.306 52.308 52.037 -0.058 0.000 0.761 669 A CB -0.908 18.045 19.000 -0.078 0.000 0.962 669 A HN 1.720 nan 8.150 nan 0.000 0.512 670 G N 1.428 110.210 108.800 -0.030 0.000 2.175 670 G HA2 -0.253 3.702 3.960 -0.008 0.000 0.244 670 G HA3 -0.253 3.702 3.960 -0.008 0.000 0.244 670 G C 0.907 175.785 174.900 -0.036 0.000 0.982 670 G CA 1.165 46.250 45.100 -0.026 0.000 0.641 670 G HN 2.007 nan 8.290 nan 0.000 0.527 671 T N -2.394 112.134 114.554 -0.043 0.000 3.042 671 T HA 0.393 4.738 4.350 -0.008 0.000 0.245 671 T C 0.791 175.302 174.700 -0.314 0.000 1.029 671 T CA 1.116 63.117 62.100 -0.165 0.000 1.120 671 T CB 0.497 69.315 68.868 -0.083 0.000 0.917 671 T HN 0.330 nan 8.240 nan 0.000 0.467 672 E N 1.386 121.540 120.200 -0.077 0.000 2.044 672 E HA 0.658 5.003 4.350 -0.008 0.000 0.282 672 E C 1.174 177.725 176.600 -0.083 0.000 1.031 672 E CA 0.068 56.471 56.400 0.005 0.000 0.824 672 E CB 0.825 30.609 29.700 0.140 0.000 1.076 672 E HN 0.338 nan 8.360 nan 0.000 0.395 673 A N 3.474 126.181 122.820 -0.190 0.000 1.892 673 A HA -0.217 4.098 4.320 -0.008 0.000 0.218 673 A C 1.960 179.433 177.584 -0.185 0.000 1.188 673 A CA 2.268 54.091 52.037 -0.356 0.000 0.631 673 A CB -0.279 18.264 19.000 -0.761 0.000 0.822 673 A HN 0.619 nan 8.150 nan 0.000 0.447 674 S N -4.157 111.482 115.700 -0.102 0.000 4.471 674 S HA 0.457 4.923 4.470 -0.008 0.000 0.191 674 S C 0.659 175.248 174.600 -0.017 0.000 1.128 674 S CA 1.375 59.554 58.200 -0.035 0.000 1.153 674 S CB -0.111 63.082 63.200 -0.013 0.000 1.583 674 S HN 2.310 nan 8.310 nan 0.000 0.590 675 G N 0.147 108.947 108.800 -0.001 0.000 2.690 675 G HA2 0.018 3.974 3.960 -0.008 0.000 0.686 675 G HA3 0.018 3.974 3.960 -0.008 0.000 0.686 675 G C 0.215 175.105 174.900 -0.016 0.000 1.277 675 G CA 0.460 45.559 45.100 -0.000 0.000 0.799 675 G HN 1.395 nan 8.290 nan 0.000 0.613 676 T N -2.553 111.979 114.554 -0.037 0.000 3.074 676 T HA 0.369 4.714 4.350 -0.008 0.000 0.258 676 T C 2.308 176.916 174.700 -0.153 0.000 0.891 676 T CA 1.243 63.294 62.100 -0.083 0.000 0.867 676 T CB 0.277 69.093 68.868 -0.088 0.000 1.261 676 T HN 1.900 nan 8.240 nan 0.000 0.537 677 G N 3.166 111.905 108.800 -0.102 0.000 2.432 677 G HA2 -0.221 3.735 3.960 -0.008 0.000 0.219 677 G HA3 -0.221 3.735 3.960 -0.008 0.000 0.219 677 G C 1.520 176.470 174.900 0.082 0.000 1.135 677 G CA 1.242 46.298 45.100 -0.073 0.000 0.767 677 G HN 0.669 nan 8.290 nan 0.000 0.550 678 N N 1.203 119.933 118.700 0.049 0.000 2.104 678 N HA -0.144 4.591 4.740 -0.008 0.000 0.190 678 N C 2.048 177.569 175.510 0.018 0.000 1.024 678 N CA 1.693 54.780 53.050 0.061 0.000 0.853 678 N CB -0.747 37.726 38.487 -0.024 0.000 1.008 678 N HN 0.384 nan 8.380 nan 0.000 0.424 679 M N 0.335 119.876 119.600 -0.099 0.000 2.117 679 M HA -0.049 4.426 4.480 -0.008 0.000 0.262 679 M C 1.970 178.223 176.300 -0.079 0.000 1.065 679 M CA 1.581 56.806 55.300 -0.126 0.000 1.114 679 M CB -0.290 32.251 32.600 -0.098 0.000 1.361 679 M HN 0.133 nan 8.290 nan 0.000 0.408 680 K N -0.084 120.199 120.400 -0.194 0.000 2.057 680 K HA -0.111 4.204 4.320 -0.008 0.000 0.207 680 K C 1.719 178.211 176.600 -0.180 0.000 1.049 680 K CA 1.369 57.477 56.287 -0.299 0.000 0.931 680 K CB -0.285 31.811 32.500 -0.672 0.000 0.714 680 K HN 0.146 nan 8.250 nan 0.000 0.440 681 F N 1.110 120.988 119.950 -0.120 0.000 2.171 681 F HA -0.117 4.405 4.527 -0.008 0.000 0.300 681 F C 2.502 178.269 175.800 -0.055 0.000 1.090 681 F CA 1.193 59.146 58.000 -0.078 0.000 1.293 681 F CB -0.234 38.713 39.000 -0.088 0.000 1.013 681 F HN 0.013 nan 8.300 nan 0.000 0.486 682 M N -0.609 119.069 119.600 0.130 0.000 2.200 682 M HA -0.140 4.336 4.480 -0.008 0.000 0.265 682 M C 2.042 178.388 176.300 0.078 0.000 1.066 682 M CA 1.448 56.793 55.300 0.076 0.000 1.127 682 M CB -0.170 32.480 32.600 0.082 0.000 1.379 682 M HN 0.248 nan 8.290 nan 0.000 0.420 683 L N 0.912 122.181 121.223 0.077 0.000 2.291 683 L HA -0.057 4.278 4.340 -0.008 0.000 0.214 683 L C 1.226 178.136 176.870 0.068 0.000 1.120 683 L CA 1.589 56.482 54.840 0.088 0.000 0.799 683 L CB -0.566 41.555 42.059 0.103 0.000 0.925 683 L HN 0.352 nan 8.230 nan 0.000 0.446 684 N N -0.098 118.631 118.700 0.048 0.000 2.251 684 N HA 0.173 4.909 4.740 -0.008 0.000 0.217 684 N C 0.802 176.341 175.510 0.049 0.000 1.124 684 N CA 0.766 53.839 53.050 0.039 0.000 0.843 684 N CB 0.509 38.997 38.487 0.002 0.000 1.024 684 N HN 0.424 nan 8.380 nan 0.000 0.501 685 G N 0.519 109.349 108.800 0.050 0.000 2.142 685 G HA2 -0.196 3.759 3.960 -0.008 0.000 0.225 685 G HA3 -0.196 3.759 3.960 -0.008 0.000 0.225 685 G C -0.034 174.922 174.900 0.094 0.000 1.015 685 G CA 0.163 45.292 45.100 0.048 0.000 0.716 685 G HN 0.528 nan 8.290 nan 0.000 0.508 686 A N -0.420 122.463 122.820 0.104 0.000 2.337 686 A HA 0.903 5.218 4.320 -0.008 0.000 0.331 686 A C 0.128 177.696 177.584 -0.027 0.000 1.137 686 A CA -0.704 51.417 52.037 0.140 0.000 0.807 686 A CB 1.214 20.375 19.000 0.268 0.000 1.250 686 A HN 0.712 nan 8.150 nan 0.000 0.468 687 L N 1.042 122.213 121.223 -0.087 0.000 2.343 687 L HA 0.462 4.798 4.340 -0.008 0.000 0.275 687 L C 0.011 176.757 176.870 -0.206 0.000 1.056 687 L CA -0.460 54.216 54.840 -0.273 0.000 0.804 687 L CB 1.877 43.654 42.059 -0.470 0.000 1.203 687 L HN 0.720 nan 8.230 nan 0.000 0.440 688 T N 3.437 117.779 114.554 -0.353 0.000 2.829 688 T HA 0.475 4.820 4.350 -0.008 0.000 0.282 688 T C -0.345 174.360 174.700 0.008 0.000 0.990 688 T CA -0.225 61.732 62.100 -0.238 0.000 1.028 688 T CB 1.665 70.351 68.868 -0.304 0.000 0.951 688 T HN 0.384 nan 8.240 nan 0.000 0.460 689 I N 2.681 123.286 120.570 0.058 0.000 2.382 689 I HA 0.710 4.876 4.170 -0.008 0.000 0.286 689 I C 0.041 176.343 176.117 0.308 0.000 1.002 689 I CA 0.071 61.502 61.300 0.218 0.000 1.135 689 I CB 0.279 38.320 38.000 0.068 0.000 1.288 689 I HN 0.791 nan 8.210 nan 0.000 0.448 690 G N 3.946 112.989 108.800 0.404 0.000 2.606 690 G HA2 0.486 4.442 3.960 -0.008 0.000 0.300 690 G HA3 0.486 4.442 3.960 -0.008 0.000 0.300 690 G C -0.938 173.851 174.900 -0.185 0.000 1.360 690 G CA -0.284 44.945 45.100 0.215 0.000 0.783 690 G HN 0.547 nan 8.290 nan 0.000 0.484 691 T N -1.674 112.651 114.554 -0.382 0.000 2.881 691 T HA 0.548 4.894 4.350 -0.008 0.000 0.278 691 T C 0.577 175.140 174.700 -0.228 0.000 0.982 691 T CA -0.698 61.107 62.100 -0.493 0.000 0.989 691 T CB 1.238 69.841 68.868 -0.442 0.000 1.058 691 T HN 0.242 nan 8.240 nan 0.000 0.529 692 M N 2.766 122.248 119.600 -0.197 0.000 3.422 692 M HA 0.352 4.828 4.480 -0.008 0.000 0.248 692 M C -0.560 175.676 176.300 -0.107 0.000 1.433 692 M CA -0.150 55.072 55.300 -0.129 0.000 1.592 692 M CB -1.620 30.916 32.600 -0.107 0.000 1.078 692 M HN 0.732 nan 8.290 nan 0.000 0.578 693 D N -0.139 120.202 120.400 -0.098 0.000 2.601 693 D HA 0.682 5.318 4.640 -0.008 0.000 0.230 693 D C 0.742 177.009 176.300 -0.054 0.000 1.106 693 D CA 0.753 54.712 54.000 -0.069 0.000 0.873 693 D CB 1.748 42.510 40.800 -0.063 0.000 1.515 693 D HN 0.590 nan 8.370 nan 0.000 0.468 694 G N 1.688 110.466 108.800 -0.036 0.000 2.634 694 G HA2 -0.270 3.685 3.960 -0.008 0.000 0.309 694 G HA3 -0.270 3.685 3.960 -0.008 0.000 0.309 694 G C 1.019 175.903 174.900 -0.027 0.000 1.265 694 G CA 1.269 46.353 45.100 -0.027 0.000 0.998 694 G HN 1.077 nan 8.290 nan 0.000 0.551 695 A N -0.264 122.534 122.820 -0.036 0.000 2.169 695 A HA 0.166 4.482 4.320 -0.008 0.000 0.212 695 A C 2.082 179.584 177.584 -0.137 0.000 1.153 695 A CA 1.705 53.715 52.037 -0.045 0.000 0.756 695 A CB -0.391 18.579 19.000 -0.050 0.000 0.813 695 A HN 0.600 nan 8.150 nan 0.000 0.471 696 N N 0.655 119.280 118.700 -0.126 0.000 2.094 696 N HA -0.162 4.574 4.740 -0.008 0.000 0.191 696 N C 1.624 176.992 175.510 -0.237 0.000 1.023 696 N CA 1.671 54.627 53.050 -0.156 0.000 0.857 696 N CB -0.657 37.780 38.487 -0.083 0.000 1.013 696 N HN 0.269 nan 8.380 nan 0.000 0.426 697 V N 1.213 121.035 119.914 -0.155 0.000 2.287 697 V HA -0.229 3.886 4.120 -0.008 0.000 0.248 697 V C 1.951 177.961 176.094 -0.139 0.000 1.053 697 V CA 1.755 63.968 62.300 -0.144 0.000 1.027 697 V CB -0.534 31.239 31.823 -0.083 0.000 0.646 697 V HN 0.360 nan 8.190 nan 0.000 0.447 698 E N -0.826 119.342 120.200 -0.052 0.000 2.274 698 E HA -0.118 4.228 4.350 -0.008 0.000 0.194 698 E C 2.158 178.845 176.600 0.146 0.000 0.996 698 E CA 0.909 57.354 56.400 0.075 0.000 0.840 698 E CB -0.132 29.705 29.700 0.229 0.000 0.772 698 E HN 0.564 nan 8.360 nan 0.000 0.491 699 M N -0.078 119.442 119.600 -0.134 0.000 2.193 699 M HA -0.051 4.424 4.480 -0.008 0.000 0.265 699 M C 2.382 178.319 176.300 -0.604 0.000 1.071 699 M CA 1.169 56.292 55.300 -0.296 0.000 1.140 699 M CB 0.033 32.331 32.600 -0.503 0.000 1.369 699 M HN 0.130 nan 8.290 nan 0.000 0.423 700 A N 0.047 122.288 122.820 -0.964 0.000 1.898 700 A HA -0.204 4.112 4.320 -0.008 0.000 0.216 700 A C 1.991 179.374 177.584 -0.335 0.000 1.181 700 A CA 1.858 53.329 52.037 -0.943 0.000 0.620 700 A CB -0.768 17.827 19.000 -0.675 0.000 0.819 700 A HN 0.558 nan 8.150 nan 0.000 0.442 701 E N -0.357 119.717 120.200 -0.210 0.000 2.077 701 E HA -0.226 4.120 4.350 -0.008 0.000 0.193 701 E C 1.760 178.337 176.600 -0.039 0.000 0.989 701 E CA 1.291 57.636 56.400 -0.092 0.000 0.800 701 E CB -0.090 29.575 29.700 -0.058 0.000 0.746 701 E HN 0.547 nan 8.360 nan 0.000 0.452 702 E N -0.023 120.180 120.200 0.006 0.000 2.072 702 E HA -0.136 4.209 4.350 -0.008 0.000 0.191 702 E C 1.758 178.396 176.600 0.064 0.000 0.985 702 E CA 1.197 57.632 56.400 0.058 0.000 0.801 702 E CB -0.097 29.706 29.700 0.173 0.000 0.750 702 E HN 0.366 nan 8.360 nan 0.000 0.452 703 A N 0.043 122.911 122.820 0.081 0.000 2.147 703 A HA 0.396 4.711 4.320 -0.008 0.000 0.211 703 A C 0.958 178.589 177.584 0.078 0.000 1.160 703 A CA 0.937 53.048 52.037 0.123 0.000 0.781 703 A CB 0.311 19.477 19.000 0.277 0.000 0.842 703 A HN 0.221 nan 8.150 nan 0.000 0.475 704 G N -0.295 108.521 108.800 0.027 0.000 3.355 704 G HA2 -0.090 3.866 3.960 -0.008 0.000 0.686 704 G HA3 -0.090 3.866 3.960 -0.008 0.000 0.686 704 G C -0.019 174.892 174.900 0.019 0.000 1.097 704 G CA 0.030 45.134 45.100 0.007 0.000 0.881 704 G HN 0.211 nan 8.290 nan 0.000 0.550 705 E N 0.400 120.585 120.200 -0.024 0.000 2.284 705 E HA -0.232 4.113 4.350 -0.008 0.000 0.200 705 E C 2.325 178.926 176.600 0.002 0.000 1.008 705 E CA 1.452 57.843 56.400 -0.016 0.000 0.829 705 E CB 0.155 29.833 29.700 -0.036 0.000 0.744 705 E HN 0.783 nan 8.360 nan 0.000 0.491 706 E N 0.321 120.507 120.200 -0.023 0.000 2.418 706 E HA -0.133 4.213 4.350 -0.008 0.000 0.197 706 E C 0.829 177.354 176.600 -0.125 0.000 1.026 706 E CA 0.638 56.995 56.400 -0.072 0.000 0.862 706 E CB 0.013 29.680 29.700 -0.056 0.000 0.799 706 E HN 0.181 nan 8.360 nan 0.000 0.518 707 N N -0.212 118.461 118.700 -0.045 0.000 2.230 707 N HA 0.148 4.884 4.740 -0.008 0.000 0.202 707 N C -1.029 174.395 175.510 -0.142 0.000 1.119 707 N CA 0.067 53.058 53.050 -0.098 0.000 0.851 707 N CB 0.296 38.783 38.487 0.000 0.000 0.990 707 N HN 0.032 nan 8.380 nan 0.000 0.497 708 F N -0.371 119.417 119.950 -0.270 0.000 2.551 708 F HA 0.393 4.915 4.527 -0.009 0.000 0.316 708 F C -0.271 175.371 175.800 -0.263 0.000 1.089 708 F CA -1.011 56.873 58.000 -0.192 0.000 0.915 708 F CB 1.187 40.136 39.000 -0.085 0.000 1.186 708 F HN -0.203 nan 8.300 nan 0.000 0.456 709 F N 5.002 124.996 119.950 0.073 0.000 2.541 709 F HA 0.299 4.822 4.527 -0.007 0.000 0.351 709 F C -0.002 175.931 175.800 0.222 0.000 1.209 709 F CA -0.425 57.636 58.000 0.103 0.000 1.277 709 F CB -0.365 38.655 39.000 0.032 0.000 1.632 709 F HN 0.026 nan 8.300 nan 0.000 0.619 710 I N 3.350 124.097 120.570 0.294 0.000 2.519 710 I HA 0.273 4.438 4.170 -0.008 0.000 0.287 710 I C 0.049 176.340 176.117 0.290 0.000 1.047 710 I CA -0.473 60.965 61.300 0.229 0.000 1.381 710 I CB 0.247 38.304 38.000 0.094 0.000 1.417 710 I HN 0.331 nan 8.210 nan 0.000 0.540 711 F N 2.319 122.324 119.950 0.092 0.000 2.789 711 F HA 0.822 5.344 4.527 -0.008 0.000 0.319 711 F C 0.247 176.081 175.800 0.056 0.000 1.168 711 F CA -0.363 57.686 58.000 0.080 0.000 0.934 711 F CB 0.779 39.845 39.000 0.110 0.000 1.375 711 F HN 0.797 nan 8.300 nan 0.000 0.480 712 G N 1.088 110.022 108.800 0.224 0.000 2.682 712 G HA2 -0.206 3.749 3.960 -0.008 0.000 0.256 712 G HA3 -0.206 3.749 3.960 -0.008 0.000 0.256 712 G C -0.438 174.442 174.900 -0.033 0.000 1.333 712 G CA -0.232 44.921 45.100 0.088 0.000 0.904 712 G HN 0.975 nan 8.290 nan 0.000 0.569 713 M N -0.255 119.330 119.600 -0.024 0.000 2.252 713 M HA 0.329 4.805 4.480 -0.008 0.000 0.321 713 M C 0.954 177.212 176.300 -0.070 0.000 1.070 713 M CA 0.460 55.744 55.300 -0.026 0.000 1.143 713 M CB 0.371 32.962 32.600 -0.015 0.000 1.498 713 M HN 0.558 nan 8.290 nan 0.000 0.445 714 R N 0.448 120.921 120.500 -0.044 0.000 2.758 714 R HA 0.375 4.710 4.340 -0.008 0.000 0.265 714 R C 0.824 177.100 176.300 -0.041 0.000 1.016 714 R CA -0.543 55.525 56.100 -0.052 0.000 1.040 714 R CB 0.889 31.167 30.300 -0.037 0.000 1.152 714 R HN 0.551 nan 8.270 nan 0.000 0.503 715 V N 2.030 121.919 119.914 -0.043 0.000 2.278 715 V HA -0.321 3.794 4.120 -0.008 0.000 0.251 715 V C 2.146 178.225 176.094 -0.026 0.000 1.062 715 V CA 2.441 64.719 62.300 -0.035 0.000 1.038 715 V CB -0.596 31.205 31.823 -0.037 0.000 0.646 715 V HN 0.873 nan 8.190 nan 0.000 0.447 716 E N -0.014 120.173 120.200 -0.022 0.000 2.118 716 E HA -0.300 4.046 4.350 -0.008 0.000 0.195 716 E C 1.593 178.192 176.600 -0.001 0.000 0.992 716 E CA 1.945 58.337 56.400 -0.013 0.000 0.804 716 E CB -0.555 29.138 29.700 -0.011 0.000 0.741 716 E HN 0.650 nan 8.360 nan 0.000 0.458 717 D N 0.977 121.378 120.400 0.002 0.000 2.183 717 D HA -0.069 4.567 4.640 -0.008 0.000 0.203 717 D C 2.266 178.578 176.300 0.020 0.000 0.969 717 D CA 1.001 55.013 54.000 0.020 0.000 0.842 717 D CB 0.139 40.955 40.800 0.025 0.000 0.957 717 D HN 0.141 nan 8.370 nan 0.000 0.484 718 V N 1.894 121.806 119.914 -0.003 0.000 2.358 718 V HA -0.202 3.913 4.120 -0.008 0.000 0.246 718 V C 1.947 178.037 176.094 -0.007 0.000 1.047 718 V CA 1.618 63.908 62.300 -0.017 0.000 1.035 718 V CB -0.384 31.417 31.823 -0.036 0.000 0.658 718 V HN 0.012 nan 8.190 nan 0.000 0.452 719 D N 0.024 120.420 120.400 -0.007 0.000 2.123 719 D HA -0.155 4.480 4.640 -0.008 0.000 0.196 719 D C 2.411 178.719 176.300 0.013 0.000 0.992 719 D CA 1.255 55.253 54.000 -0.004 0.000 0.833 719 D CB -0.272 40.523 40.800 -0.010 0.000 0.954 719 D HN 0.371 nan 8.370 nan 0.000 0.455 720 R N -0.002 120.511 120.500 0.022 0.000 2.092 720 R HA 0.004 4.340 4.340 -0.008 0.000 0.231 720 R C 2.506 178.840 176.300 0.057 0.000 1.119 720 R CA 0.393 56.515 56.100 0.036 0.000 0.970 720 R CB -0.282 30.041 30.300 0.039 0.000 0.864 720 R HN 0.216 nan 8.270 nan 0.000 0.440 721 L N 0.654 121.921 121.223 0.073 0.000 2.056 721 L HA -0.199 4.136 4.340 -0.008 0.000 0.207 721 L C 1.665 178.598 176.870 0.105 0.000 1.078 721 L CA 1.269 56.182 54.840 0.122 0.000 0.749 721 L CB -0.280 41.869 42.059 0.149 0.000 0.901 721 L HN 0.182 nan 8.230 nan 0.000 0.433 722 D N -0.457 119.978 120.400 0.058 0.000 2.117 722 D HA -0.218 4.418 4.640 -0.008 0.000 0.197 722 D C 2.213 178.538 176.300 0.041 0.000 0.987 722 D CA 1.134 55.159 54.000 0.041 0.000 0.829 722 D CB -0.078 40.725 40.800 0.006 0.000 0.961 722 D HN 0.387 nan 8.370 nan 0.000 0.460 723 Q N -0.105 119.716 119.800 0.035 0.000 2.096 723 Q HA -0.156 4.179 4.340 -0.008 0.000 0.204 723 Q C 1.981 178.003 176.000 0.036 0.000 0.982 723 Q CA 1.426 57.246 55.803 0.029 0.000 0.850 723 Q CB -0.002 28.750 28.738 0.024 0.000 0.901 723 Q HN 0.381 nan 8.270 nan 0.000 0.422 724 R N -0.925 119.604 120.500 0.049 0.000 2.334 724 R HA 0.321 4.657 4.340 -0.008 0.000 0.212 724 R C 0.133 176.467 176.300 0.057 0.000 0.897 724 R CA 0.454 56.583 56.100 0.048 0.000 1.056 724 R CB 0.527 30.857 30.300 0.049 0.000 1.046 724 R HN 0.070 nan 8.270 nan 0.000 0.513 725 G N 1.491 110.338 108.800 0.078 0.000 3.322 725 G HA2 -0.278 3.678 3.960 -0.008 0.000 0.686 725 G HA3 -0.278 3.678 3.960 -0.008 0.000 0.686 725 G C -1.320 173.667 174.900 0.145 0.000 1.015 725 G CA -0.569 44.587 45.100 0.092 0.000 0.826 725 G HN 0.312 nan 8.290 nan 0.000 0.538 726 Y N 3.084 123.409 120.300 0.041 0.000 2.480 726 Y HA 0.565 5.110 4.550 -0.007 0.000 0.341 726 Y C 0.321 176.268 175.900 0.078 0.000 1.031 726 Y CA -1.165 56.980 58.100 0.074 0.000 1.295 726 Y CB 1.111 39.591 38.460 0.034 0.000 1.162 726 Y HN 0.634 nan 8.280 nan 0.000 0.523 727 N N 4.824 123.304 118.700 -0.367 0.000 2.626 727 N HA 0.356 5.091 4.740 -0.008 0.000 0.242 727 N C 0.292 175.554 175.510 -0.413 0.000 1.005 727 N CA 0.246 53.090 53.050 -0.344 0.000 0.905 727 N CB 1.086 39.493 38.487 -0.134 0.000 1.128 727 N HN 0.748 nan 8.380 nan 0.000 0.512 728 A N 2.620 125.083 122.820 -0.595 0.000 2.019 728 A HA -0.190 4.126 4.320 -0.008 0.000 0.219 728 A C 1.896 179.613 177.584 0.221 0.000 1.164 728 A CA 1.388 53.321 52.037 -0.173 0.000 0.644 728 A CB -0.404 18.391 19.000 -0.341 0.000 0.805 728 A HN 0.698 nan 8.150 nan 0.000 0.449 729 Q N 0.372 120.181 119.800 0.015 0.000 2.096 729 Q HA -0.225 4.111 4.340 -0.008 0.000 0.204 729 Q C 1.917 177.988 176.000 0.118 0.000 0.982 729 Q CA 2.305 58.143 55.803 0.059 0.000 0.850 729 Q CB -0.381 28.341 28.738 -0.026 0.000 0.901 729 Q HN 0.780 nan 8.270 nan 0.000 0.422 730 E N -1.313 118.887 120.200 -0.001 0.000 2.070 730 E HA -0.264 4.081 4.350 -0.008 0.000 0.197 730 E C 1.633 178.156 176.600 -0.128 0.000 1.004 730 E CA 1.609 57.938 56.400 -0.119 0.000 0.805 730 E CB -0.316 29.211 29.700 -0.288 0.000 0.744 730 E HN 0.576 nan 8.360 nan 0.000 0.451 731 Y N -0.931 119.439 120.300 0.116 0.000 2.181 731 Y HA -0.211 4.335 4.550 -0.008 0.000 0.288 731 Y C 2.273 178.173 175.900 0.001 0.000 1.146 731 Y CA 1.625 59.787 58.100 0.104 0.000 1.164 731 Y CB -0.805 37.788 38.460 0.223 0.000 0.982 731 Y HN 0.260 nan 8.280 nan 0.000 0.515 732 Y N 1.232 121.561 120.300 0.048 0.000 2.145 732 Y HA -0.264 4.281 4.550 -0.008 0.000 0.286 732 Y C 1.947 177.810 175.900 -0.062 0.000 1.145 732 Y CA 1.893 59.935 58.100 -0.095 0.000 1.148 732 Y CB -0.419 38.044 38.460 0.005 0.000 0.981 732 Y HN 0.061 nan 8.280 nan 0.000 0.507 733 D N -0.086 120.403 120.400 0.149 0.000 2.144 733 D HA -0.130 4.505 4.640 -0.008 0.000 0.199 733 D C 1.970 178.241 176.300 -0.049 0.000 0.984 733 D CA 1.464 55.494 54.000 0.051 0.000 0.834 733 D CB -0.211 40.638 40.800 0.081 0.000 0.955 733 D HN 0.458 nan 8.370 nan 0.000 0.465 734 R N -0.269 120.204 120.500 -0.045 0.000 2.297 734 R HA 0.256 4.591 4.340 -0.008 0.000 0.197 734 R C 0.333 176.611 176.300 -0.036 0.000 0.943 734 R CA 0.189 56.262 56.100 -0.043 0.000 1.038 734 R CB 0.733 31.005 30.300 -0.046 0.000 0.957 734 R HN 0.150 nan 8.270 nan 0.000 0.484 735 I N 2.270 122.798 120.570 -0.070 0.000 2.464 735 I HA 0.190 4.355 4.170 -0.008 0.000 0.277 735 I C -1.733 174.299 176.117 -0.143 0.000 1.040 735 I CA -2.290 58.979 61.300 -0.052 0.000 1.153 735 I CB 2.037 40.049 38.000 0.020 0.000 1.274 735 I HN -0.226 nan 8.210 nan 0.000 0.469 736 P HA -0.195 nan 4.420 nan 0.000 0.216 736 P C 1.114 178.336 177.300 -0.131 0.000 1.150 736 P CA 1.502 64.519 63.100 -0.138 0.000 0.843 736 P CB 0.440 32.089 31.700 -0.085 0.000 0.787 737 E N -0.884 119.281 120.200 -0.059 0.000 2.106 737 E HA -0.134 4.212 4.350 -0.008 0.000 0.192 737 E C 1.997 178.540 176.600 -0.096 0.000 0.984 737 E CA 0.509 56.897 56.400 -0.020 0.000 0.806 737 E CB -0.466 29.288 29.700 0.090 0.000 0.750 737 E HN 0.098 nan 8.360 nan 0.000 0.458 738 L N 1.087 122.171 121.223 -0.232 0.000 2.072 738 L HA -0.102 4.233 4.340 -0.008 0.000 0.205 738 L C 2.262 178.876 176.870 -0.427 0.000 1.079 738 L CA 1.628 56.137 54.840 -0.551 0.000 0.752 738 L CB -0.309 41.251 42.059 -0.832 0.000 0.906 738 L HN -0.121 nan 8.230 nan 0.000 0.436 739 R N -0.690 119.534 120.500 -0.460 0.000 2.096 739 R HA -0.254 4.081 4.340 -0.008 0.000 0.240 739 R C 2.468 178.623 176.300 -0.242 0.000 1.139 739 R CA 2.111 57.866 56.100 -0.574 0.000 0.952 739 R CB -0.397 29.495 30.300 -0.680 0.000 0.854 739 R HN 0.642 nan 8.270 nan 0.000 0.436 740 Q N 0.274 119.968 119.800 -0.176 0.000 2.096 740 Q HA -0.204 4.132 4.340 -0.008 0.000 0.204 740 Q C 1.987 177.969 176.000 -0.029 0.000 0.982 740 Q CA 2.051 57.799 55.803 -0.091 0.000 0.850 740 Q CB -0.112 28.575 28.738 -0.084 0.000 0.901 740 Q HN 0.460 nan 8.270 nan 0.000 0.422 741 I N 0.510 121.064 120.570 -0.027 0.000 2.252 741 I HA -0.267 3.899 4.170 -0.008 0.000 0.245 741 I C 2.051 178.225 176.117 0.095 0.000 1.102 741 I CA 0.510 61.841 61.300 0.053 0.000 1.385 741 I CB -0.257 37.739 38.000 -0.007 0.000 1.064 741 I HN 0.289 nan 8.210 nan 0.000 0.414 742 I N 0.581 121.191 120.570 0.068 0.000 2.286 742 I HA -0.216 3.949 4.170 -0.008 0.000 0.248 742 I C 2.477 178.714 176.117 0.200 0.000 1.115 742 I CA 1.497 62.901 61.300 0.173 0.000 1.392 742 I CB -1.258 36.922 38.000 0.301 0.000 1.065 742 I HN 0.268 nan 8.210 nan 0.000 0.418 743 E N 0.358 120.658 120.200 0.167 0.000 2.208 743 E HA -0.149 4.197 4.350 -0.008 0.000 0.193 743 E C 2.164 178.857 176.600 0.155 0.000 0.988 743 E CA 0.639 57.129 56.400 0.151 0.000 0.828 743 E CB -0.144 29.615 29.700 0.098 0.000 0.763 743 E HN 0.561 nan 8.360 nan 0.000 0.478 744 Q N 0.047 119.949 119.800 0.170 0.000 2.079 744 Q HA -0.014 4.321 4.340 -0.008 0.000 0.200 744 Q C 2.357 178.621 176.000 0.440 0.000 0.974 744 Q CA 0.791 56.746 55.803 0.255 0.000 0.840 744 Q CB 0.020 28.935 28.738 0.296 0.000 0.898 744 Q HN 0.236 nan 8.270 nan 0.000 0.430 745 L N -0.459 121.010 121.223 0.410 0.000 2.027 745 L HA -0.185 4.150 4.340 -0.008 0.000 0.206 745 L C 2.536 179.618 176.870 0.354 0.000 1.074 745 L CA 0.870 55.949 54.840 0.398 0.000 0.745 745 L CB -0.454 41.731 42.059 0.210 0.000 0.898 745 L HN 0.147 nan 8.230 nan 0.000 0.433 746 S N -0.211 115.647 115.700 0.263 0.000 2.356 746 S HA -0.182 4.284 4.470 -0.008 0.000 0.223 746 S C 2.153 176.866 174.600 0.188 0.000 1.032 746 S CA 1.732 60.059 58.200 0.211 0.000 1.005 746 S CB -0.192 63.112 63.200 0.173 0.000 0.867 746 S HN 0.616 nan 8.310 nan 0.000 0.449 747 S N 0.017 115.827 115.700 0.184 0.000 2.481 747 S HA 0.221 4.687 4.470 -0.008 0.000 0.231 747 S C 1.407 176.104 174.600 0.161 0.000 0.996 747 S CA 0.988 59.279 58.200 0.151 0.000 0.942 747 S CB -0.169 63.109 63.200 0.131 0.000 0.768 747 S HN 0.951 nan 8.310 nan 0.000 0.520 748 G N 0.436 109.368 108.800 0.219 0.000 2.135 748 G HA2 -0.241 3.715 3.960 -0.008 0.000 0.183 748 G HA3 -0.241 3.715 3.960 -0.008 0.000 0.183 748 G C 0.111 175.116 174.900 0.175 0.000 1.004 748 G CA 0.084 45.298 45.100 0.189 0.000 0.677 748 G HN 0.476 nan 8.290 nan 0.000 0.512 749 F N 0.458 120.435 119.950 0.045 0.000 2.234 749 F HA 0.290 4.812 4.527 -0.008 0.000 0.299 749 F C 1.656 177.272 175.800 -0.306 0.000 1.087 749 F CA 1.226 59.131 58.000 -0.159 0.000 1.340 749 F CB -0.039 38.803 39.000 -0.264 0.000 1.031 749 F HN 0.153 nan 8.300 nan 0.000 0.500 750 F N -0.084 119.897 119.950 0.051 0.000 2.639 750 F HA 0.225 4.747 4.527 -0.008 0.000 0.300 750 F C 0.606 176.484 175.800 0.129 0.000 1.109 750 F CA 0.306 58.298 58.000 -0.013 0.000 1.335 750 F CB -0.161 38.877 39.000 0.063 0.000 1.014 750 F HN 0.030 nan 8.300 nan 0.000 0.537 751 S N -1.527 114.268 115.700 0.159 0.000 2.730 751 S HA 0.200 4.666 4.470 -0.008 0.000 0.150 751 S C -2.236 172.363 174.600 -0.001 0.000 1.139 751 S CA -0.806 57.425 58.200 0.051 0.000 1.155 751 S CB 0.390 63.554 63.200 -0.060 0.000 1.682 751 S HN -0.111 nan 8.310 nan 0.000 0.452 752 P HA -0.151 nan 4.420 nan 0.000 0.216 752 P C 0.992 178.281 177.300 -0.019 0.000 1.150 752 P CA 1.369 64.449 63.100 -0.034 0.000 0.843 752 P CB 0.037 31.695 31.700 -0.071 0.000 0.787 753 K N -0.855 119.531 120.400 -0.024 0.000 2.296 753 K HA -0.030 4.285 4.320 -0.008 0.000 0.200 753 K C 1.526 178.119 176.600 -0.013 0.000 1.048 753 K CA 0.590 56.867 56.287 -0.016 0.000 0.966 753 K CB 0.072 32.564 32.500 -0.015 0.000 0.754 753 K HN 0.183 nan 8.250 nan 0.000 0.466 754 Q N 0.059 119.846 119.800 -0.022 0.000 3.484 754 Q HA 0.141 4.476 4.340 -0.008 0.000 0.255 754 Q C -2.410 173.570 176.000 -0.033 0.000 0.909 754 Q CA -1.774 54.012 55.803 -0.028 0.000 0.774 754 Q CB 1.152 29.866 28.738 -0.039 0.000 1.431 754 Q HN -0.134 nan 8.270 nan 0.000 0.423 755 P HA -0.220 nan 4.420 nan 0.000 0.218 755 P C 0.564 177.889 177.300 0.042 0.000 1.152 755 P CA 1.617 64.738 63.100 0.035 0.000 0.857 755 P CB 0.175 31.901 31.700 0.044 0.000 0.787 756 D N -1.253 119.158 120.400 0.019 0.000 2.325 756 D HA -0.028 4.607 4.640 -0.008 0.000 0.225 756 D C 1.617 177.909 176.300 -0.013 0.000 1.096 756 D CA -0.161 53.858 54.000 0.031 0.000 0.844 756 D CB -0.803 40.019 40.800 0.036 0.000 0.925 756 D HN 0.044 nan 8.370 nan 0.000 0.513 757 L N -0.175 120.971 121.223 -0.129 0.000 2.081 757 L HA -0.103 4.232 4.340 -0.008 0.000 0.212 757 L C 1.045 177.696 176.870 -0.366 0.000 1.080 757 L CA 1.617 56.266 54.840 -0.318 0.000 0.754 757 L CB -0.526 41.166 42.059 -0.613 0.000 0.893 757 L HN -0.059 nan 8.230 nan 0.000 0.433 758 F N -0.395 119.606 119.950 0.085 0.000 2.639 758 F HA 0.175 4.698 4.527 -0.007 0.000 0.300 758 F C 1.854 177.707 175.800 0.089 0.000 1.109 758 F CA -0.085 57.956 58.000 0.069 0.000 1.335 758 F CB -0.769 38.261 39.000 0.049 0.000 1.014 758 F HN 0.130 nan 8.300 nan 0.000 0.537 759 K N -0.289 120.236 120.400 0.208 0.000 2.160 759 K HA -0.212 4.104 4.320 -0.008 0.000 0.206 759 K C 0.853 177.563 176.600 0.183 0.000 1.047 759 K CA 2.097 58.490 56.287 0.177 0.000 0.930 759 K CB -0.325 32.251 32.500 0.128 0.000 0.720 759 K HN 0.128 nan 8.250 nan 0.000 0.450 760 D N 1.142 121.658 120.400 0.194 0.000 2.149 760 D HA -0.039 4.597 4.640 -0.008 0.000 0.201 760 D C 2.091 178.502 176.300 0.184 0.000 0.972 760 D CA 0.970 55.088 54.000 0.196 0.000 0.835 760 D CB -0.077 40.870 40.800 0.246 0.000 0.966 760 D HN 0.312 nan 8.370 nan 0.000 0.476 761 I N 0.542 121.223 120.570 0.186 0.000 2.252 761 I HA -0.202 3.964 4.170 -0.008 0.000 0.245 761 I C 2.448 178.638 176.117 0.122 0.000 1.102 761 I CA 0.513 61.892 61.300 0.132 0.000 1.385 761 I CB -0.053 38.006 38.000 0.098 0.000 1.064 761 I HN -0.138 nan 8.210 nan 0.000 0.414 762 V N 1.208 121.214 119.914 0.154 0.000 2.295 762 V HA -0.319 3.796 4.120 -0.008 0.000 0.246 762 V C 2.243 178.408 176.094 0.119 0.000 1.049 762 V CA 2.476 64.863 62.300 0.144 0.000 1.024 762 V CB -0.919 31.006 31.823 0.169 0.000 0.648 762 V HN 0.497 nan 8.190 nan 0.000 0.447 763 N N -0.131 118.671 118.700 0.169 0.000 2.104 763 N HA -0.231 4.505 4.740 -0.008 0.000 0.190 763 N C 1.863 177.523 175.510 0.249 0.000 1.024 763 N CA 1.944 55.142 53.050 0.248 0.000 0.853 763 N CB -0.288 38.356 38.487 0.261 0.000 1.008 763 N HN 0.350 nan 8.380 nan 0.000 0.424 764 M N 0.084 119.807 119.600 0.205 0.000 2.117 764 M HA -0.099 4.377 4.480 -0.008 0.000 0.262 764 M C 1.674 178.002 176.300 0.047 0.000 1.065 764 M CA 1.296 56.715 55.300 0.199 0.000 1.114 764 M CB -0.525 32.176 32.600 0.168 0.000 1.361 764 M HN 0.298 nan 8.290 nan 0.000 0.408 765 L N -0.164 121.026 121.223 -0.055 0.000 2.027 765 L HA -0.247 4.088 4.340 -0.008 0.000 0.206 765 L C 2.622 179.189 176.870 -0.506 0.000 1.074 765 L CA 1.021 55.675 54.840 -0.310 0.000 0.745 765 L CB -0.628 41.272 42.059 -0.266 0.000 0.898 765 L HN 0.286 nan 8.230 nan 0.000 0.433 766 M N -1.124 118.256 119.600 -0.367 0.000 2.175 766 M HA -0.125 4.350 4.480 -0.008 0.000 0.264 766 M C 1.760 177.592 176.300 -0.781 0.000 1.063 766 M CA 1.766 56.727 55.300 -0.565 0.000 1.119 766 M CB -0.826 31.356 32.600 -0.697 0.000 1.377 766 M HN 0.387 nan 8.290 nan 0.000 0.415 767 H N -3.240 115.702 119.070 -0.215 0.000 3.440 767 H HA 0.235 4.786 4.556 -0.007 0.000 0.259 767 H C 0.158 175.090 175.328 -0.660 0.000 1.120 767 H CA 0.261 56.047 56.048 -0.438 0.000 1.191 767 H CB 0.364 29.780 29.762 -0.576 0.000 1.537 767 H HN 0.519 nan 8.280 nan 0.000 0.547 768 H N 0.326 119.455 119.070 0.097 0.000 2.750 768 H HA 0.124 4.675 4.556 -0.008 0.000 0.239 768 H C -0.582 174.779 175.328 0.054 0.000 1.210 768 H CA -0.332 55.764 56.048 0.081 0.000 0.936 768 H CB 0.895 30.710 29.762 0.088 0.000 2.074 768 H HN 0.014 nan 8.280 nan 0.000 0.622 769 D N 1.100 121.562 120.400 0.103 0.000 2.365 769 D HA 0.087 4.723 4.640 -0.008 0.000 0.237 769 D C 0.975 177.244 176.300 -0.051 0.000 1.190 769 D CA -0.115 53.922 54.000 0.061 0.000 0.867 769 D CB 0.633 41.447 40.800 0.024 0.000 1.050 769 D HN 0.309 nan 8.370 nan 0.000 0.491 770 R N 2.423 122.785 120.500 -0.230 0.000 2.236 770 R HA 0.010 4.345 4.340 -0.008 0.000 0.208 770 R C 0.536 176.307 176.300 -0.881 0.000 1.036 770 R CA 0.668 56.412 56.100 -0.594 0.000 1.001 770 R CB 0.201 29.965 30.300 -0.893 0.000 0.896 770 R HN 0.407 nan 8.270 nan 0.000 0.464 771 F N 0.657 120.572 119.950 -0.058 0.000 2.708 771 F HA 0.258 4.780 4.527 -0.008 0.000 0.300 771 F C -0.076 175.596 175.800 -0.214 0.000 1.118 771 F CA -0.772 57.175 58.000 -0.088 0.000 1.307 771 F CB 0.088 39.104 39.000 0.027 0.000 0.986 771 F HN -0.282 nan 8.300 nan 0.000 0.522 772 K N -0.164 120.000 120.400 -0.392 0.000 4.075 772 K HA -0.185 4.130 4.320 -0.008 0.000 0.278 772 K C 0.975 177.438 176.600 -0.229 0.000 0.862 772 K CA 0.094 55.961 56.287 -0.700 0.000 0.762 772 K CB -1.494 30.473 32.500 -0.887 0.000 1.660 772 K HN 0.245 nan 8.250 nan 0.000 0.437 773 V N 0.441 120.314 119.914 -0.068 0.000 2.307 773 V HA -0.254 3.861 4.120 -0.008 0.000 0.245 773 V C 1.969 178.209 176.094 0.243 0.000 1.045 773 V CA 1.881 64.229 62.300 0.081 0.000 1.024 773 V CB -0.451 31.428 31.823 0.094 0.000 0.651 773 V HN 0.481 nan 8.190 nan 0.000 0.449 774 F N 0.977 120.942 119.950 0.024 0.000 2.161 774 F HA -0.128 4.394 4.527 -0.008 0.000 0.300 774 F C 2.499 178.120 175.800 -0.298 0.000 1.089 774 F CA 0.927 58.899 58.000 -0.047 0.000 1.282 774 F CB -1.561 37.438 39.000 -0.002 0.000 1.010 774 F HN 0.160 nan 8.300 nan 0.000 0.485 775 A N -0.623 122.001 122.820 -0.327 0.000 2.024 775 A HA -0.178 4.138 4.320 -0.008 0.000 0.220 775 A C 1.563 179.133 177.584 -0.023 0.000 1.164 775 A CA 2.046 53.791 52.037 -0.487 0.000 0.643 775 A CB -0.539 18.305 19.000 -0.259 0.000 0.806 775 A HN 0.241 nan 8.150 nan 0.000 0.451 776 D N -3.029 117.427 120.400 0.093 0.000 2.431 776 D HA 0.131 4.767 4.640 -0.008 0.000 0.213 776 D C 1.016 177.487 176.300 0.285 0.000 1.130 776 D CA -0.167 53.963 54.000 0.217 0.000 0.834 776 D CB -0.083 40.856 40.800 0.232 0.000 0.985 776 D HN 0.518 nan 8.370 nan 0.000 0.504 777 Y N 1.978 122.368 120.300 0.149 0.000 2.089 777 Y HA -0.186 4.359 4.550 -0.007 0.000 0.282 777 Y C 2.016 177.998 175.900 0.137 0.000 1.139 777 Y CA 1.886 60.083 58.100 0.161 0.000 1.123 777 Y CB 0.105 38.633 38.460 0.114 0.000 0.980 777 Y HN -0.093 nan 8.280 nan 0.000 0.493 778 E N -0.172 120.066 120.200 0.062 0.000 2.038 778 E HA -0.237 4.109 4.350 -0.008 0.000 0.195 778 E C 2.176 178.729 176.600 -0.079 0.000 1.000 778 E CA 1.503 57.864 56.400 -0.065 0.000 0.803 778 E CB -0.135 29.634 29.700 0.114 0.000 0.750 778 E HN 0.579 nan 8.360 nan 0.000 0.448 779 E N -0.031 120.204 120.200 0.059 0.000 2.110 779 E HA -0.202 4.143 4.350 -0.008 0.000 0.193 779 E C 1.959 178.533 176.600 -0.043 0.000 0.988 779 E CA 0.830 57.286 56.400 0.094 0.000 0.804 779 E CB -0.243 29.613 29.700 0.260 0.000 0.745 779 E HN 0.321 nan 8.360 nan 0.000 0.458 780 Y N 1.631 121.726 120.300 -0.342 0.000 2.145 780 Y HA -0.210 4.335 4.550 -0.008 0.000 0.286 780 Y C 2.261 177.749 175.900 -0.687 0.000 1.145 780 Y CA 0.993 58.570 58.100 -0.873 0.000 1.148 780 Y CB -0.496 37.519 38.460 -0.742 0.000 0.981 780 Y HN -0.222 nan 8.280 nan 0.000 0.507 781 V N 0.369 119.897 119.914 -0.644 0.000 2.407 781 V HA -0.302 3.814 4.120 -0.008 0.000 0.248 781 V C 2.273 178.106 176.094 -0.435 0.000 1.055 781 V CA 2.299 64.222 62.300 -0.628 0.000 1.049 781 V CB -0.612 30.897 31.823 -0.524 0.000 0.662 781 V HN 0.247 nan 8.190 nan 0.000 0.455 782 K N -0.790 119.427 120.400 -0.304 0.000 2.057 782 K HA -0.168 4.147 4.320 -0.008 0.000 0.206 782 K C 2.271 178.772 176.600 -0.165 0.000 1.050 782 K CA 1.692 57.876 56.287 -0.172 0.000 0.935 782 K CB -0.733 31.716 32.500 -0.085 0.000 0.715 782 K HN 0.513 nan 8.250 nan 0.000 0.439 783 C N 1.113 120.284 119.300 -0.215 0.000 2.429 783 C HA -0.109 4.346 4.460 -0.008 0.000 0.277 783 C C 2.499 177.329 174.990 -0.267 0.000 1.262 783 C CA 0.838 59.772 59.018 -0.141 0.000 1.733 783 C CB -0.650 27.004 27.740 -0.143 0.000 2.010 783 C HN 0.455 nan 8.230 nan 0.000 0.483 784 Q N 0.298 119.783 119.800 -0.524 0.000 2.170 784 Q HA -0.168 4.168 4.340 -0.008 0.000 0.203 784 Q C 1.972 177.794 176.000 -0.297 0.000 0.976 784 Q CA 1.488 56.959 55.803 -0.555 0.000 0.858 784 Q CB -0.374 27.786 28.738 -0.963 0.000 0.907 784 Q HN 0.755 nan 8.270 nan 0.000 0.433 785 E N 0.319 120.392 120.200 -0.211 0.000 2.077 785 E HA -0.141 4.205 4.350 -0.008 0.000 0.193 785 E C 2.074 178.650 176.600 -0.039 0.000 0.989 785 E CA 0.664 57.004 56.400 -0.100 0.000 0.800 785 E CB 0.038 29.693 29.700 -0.074 0.000 0.746 785 E HN 0.239 nan 8.360 nan 0.000 0.452 786 R N 0.254 120.751 120.500 -0.006 0.000 2.115 786 R HA -0.073 4.263 4.340 -0.008 0.000 0.230 786 R C 2.375 178.756 176.300 0.135 0.000 1.111 786 R CA 0.712 56.894 56.100 0.136 0.000 0.976 786 R CB -0.198 30.264 30.300 0.269 0.000 0.870 786 R HN 0.074 nan 8.270 nan 0.000 0.445 787 V N 0.520 120.304 119.914 -0.217 0.000 2.261 787 V HA -0.252 3.863 4.120 -0.008 0.000 0.246 787 V C 2.180 178.271 176.094 -0.005 0.000 1.047 787 V CA 1.972 63.993 62.300 -0.465 0.000 1.015 787 V CB -0.356 31.089 31.823 -0.630 0.000 0.642 787 V HN 0.286 nan 8.190 nan 0.000 0.446 788 S N 0.011 115.682 115.700 -0.050 0.000 2.370 788 S HA -0.200 4.266 4.470 -0.008 0.000 0.226 788 S C 2.215 176.888 174.600 0.122 0.000 1.033 788 S CA 1.426 59.631 58.200 0.008 0.000 1.011 788 S CB -0.545 62.627 63.200 -0.046 0.000 0.852 788 S HN 0.657 nan 8.310 nan 0.000 0.457 789 A N 1.320 124.215 122.820 0.124 0.000 1.883 789 A HA -0.117 4.198 4.320 -0.008 0.000 0.217 789 A C 2.145 179.854 177.584 0.208 0.000 1.186 789 A CA 1.656 53.784 52.037 0.152 0.000 0.624 789 A CB -0.795 18.286 19.000 0.135 0.000 0.822 789 A HN 0.432 nan 8.150 nan 0.000 0.444 790 L N -2.122 119.288 121.223 0.311 0.000 2.093 790 L HA -0.093 4.242 4.340 -0.008 0.000 0.208 790 L C 2.274 179.419 176.870 0.458 0.000 1.085 790 L CA 1.979 57.067 54.840 0.413 0.000 0.755 790 L CB -0.716 41.701 42.059 0.597 0.000 0.904 790 L HN 0.493 nan 8.230 nan 0.000 0.435 791 Y N 0.266 120.719 120.300 0.255 0.000 2.333 791 Y HA -0.239 4.307 4.550 -0.006 0.000 0.290 791 Y C 2.328 178.173 175.900 -0.093 0.000 1.144 791 Y CA 1.632 59.622 58.100 -0.184 0.000 1.228 791 Y CB -0.081 38.052 38.460 -0.545 0.000 0.985 791 Y HN 0.183 nan 8.280 nan 0.000 0.542 792 K N -0.229 120.236 120.400 0.109 0.000 2.283 792 K HA -0.139 4.176 4.320 -0.008 0.000 0.202 792 K C 0.423 177.021 176.600 -0.003 0.000 1.048 792 K CA 0.762 57.092 56.287 0.071 0.000 0.948 792 K CB -0.095 32.477 32.500 0.120 0.000 0.742 792 K HN 0.063 nan 8.250 nan 0.000 0.458 793 N N 0.675 119.387 118.700 0.021 0.000 2.936 793 N HA 0.120 4.856 4.740 -0.008 0.000 0.243 793 N C -2.396 173.116 175.510 0.003 0.000 1.149 793 N CA -2.195 50.867 53.050 0.020 0.000 0.914 793 N CB 1.178 39.706 38.487 0.069 0.000 1.179 793 N HN -0.182 nan 8.380 nan 0.000 0.502 794 P HA -0.206 nan 4.420 nan 0.000 0.216 794 P C 1.387 178.693 177.300 0.011 0.000 1.157 794 P CA 1.285 64.312 63.100 -0.121 0.000 0.880 794 P CB 0.355 31.958 31.700 -0.161 0.000 0.791 795 R N -0.014 120.494 120.500 0.012 0.000 2.083 795 R HA -0.172 4.163 4.340 -0.008 0.000 0.237 795 R C 1.963 178.300 176.300 0.061 0.000 1.137 795 R CA 1.551 57.670 56.100 0.032 0.000 0.951 795 R CB -0.462 29.850 30.300 0.019 0.000 0.851 795 R HN 0.046 nan 8.270 nan 0.000 0.434 796 E N -0.009 120.237 120.200 0.075 0.000 2.152 796 E HA -0.203 4.142 4.350 -0.008 0.000 0.192 796 E C 1.511 178.174 176.600 0.105 0.000 0.983 796 E CA 0.671 57.117 56.400 0.076 0.000 0.818 796 E CB -0.462 29.283 29.700 0.075 0.000 0.758 796 E HN 0.521 nan 8.360 nan 0.000 0.467 797 W N 1.979 123.263 121.300 -0.026 0.000 2.354 797 W HA -0.188 4.467 4.660 -0.009 0.000 0.315 797 W C 1.570 178.079 176.519 -0.016 0.000 1.206 797 W CA 2.108 59.446 57.345 -0.013 0.000 1.290 797 W CB -0.463 28.937 29.460 -0.101 0.000 1.152 797 W HN 0.031 nan 8.180 nan 0.000 0.489 798 T N 1.209 115.877 114.554 0.190 0.000 2.788 798 T HA -0.167 4.178 4.350 -0.008 0.000 0.268 798 T C 1.860 176.562 174.700 0.002 0.000 1.044 798 T CA 1.600 63.749 62.100 0.082 0.000 1.139 798 T CB -0.298 68.618 68.868 0.079 0.000 0.867 798 T HN 0.173 nan 8.240 nan 0.000 0.454 799 R N 0.340 120.848 120.500 0.014 0.000 2.115 799 R HA 0.128 4.463 4.340 -0.008 0.000 0.230 799 R C 2.460 178.745 176.300 -0.025 0.000 1.111 799 R CA 1.041 57.152 56.100 0.017 0.000 0.976 799 R CB -0.286 30.029 30.300 0.025 0.000 0.870 799 R HN 0.375 nan 8.270 nan 0.000 0.445 800 M N 0.376 119.921 119.600 -0.091 0.000 2.254 800 M HA -0.097 4.378 4.480 -0.008 0.000 0.265 800 M C 1.815 178.005 176.300 -0.183 0.000 1.066 800 M CA 1.161 56.370 55.300 -0.152 0.000 1.123 800 M CB 0.299 32.758 32.600 -0.236 0.000 1.388 800 M HN -0.032 nan 8.290 nan 0.000 0.425 801 V N 0.886 120.672 119.914 -0.213 0.000 2.307 801 V HA -0.290 3.825 4.120 -0.008 0.000 0.245 801 V C 2.212 178.271 176.094 -0.058 0.000 1.045 801 V CA 1.898 64.092 62.300 -0.176 0.000 1.024 801 V CB -0.510 31.228 31.823 -0.141 0.000 0.651 801 V HN 0.491 nan 8.190 nan 0.000 0.449 802 I N -0.409 120.156 120.570 -0.008 0.000 2.194 802 I HA -0.303 3.862 4.170 -0.008 0.000 0.246 802 I C 2.657 178.823 176.117 0.081 0.000 1.093 802 I CA 1.671 63.023 61.300 0.086 0.000 1.355 802 I CB -0.444 37.659 38.000 0.171 0.000 1.046 802 I HN 0.231 nan 8.210 nan 0.000 0.413 803 R N 0.339 120.860 120.500 0.036 0.000 2.189 803 R HA -0.095 4.241 4.340 -0.008 0.000 0.223 803 R C 1.941 178.271 176.300 0.049 0.000 1.092 803 R CA 0.882 57.003 56.100 0.036 0.000 0.989 803 R CB -0.321 29.983 30.300 0.007 0.000 0.876 803 R HN 0.538 nan 8.270 nan 0.000 0.457 804 N N 0.516 119.231 118.700 0.024 0.000 2.197 804 N HA -0.016 4.720 4.740 -0.008 0.000 0.184 804 N C 1.916 177.479 175.510 0.088 0.000 1.030 804 N CA 0.850 53.931 53.050 0.053 0.000 0.851 804 N CB 0.075 38.531 38.487 -0.051 0.000 1.003 804 N HN 0.077 nan 8.380 nan 0.000 0.430 805 I N 1.819 122.428 120.570 0.065 0.000 2.208 805 I HA -0.248 3.917 4.170 -0.008 0.000 0.245 805 I C 2.402 178.573 176.117 0.090 0.000 1.097 805 I CA 1.000 62.347 61.300 0.079 0.000 1.363 805 I CB -0.316 37.724 38.000 0.067 0.000 1.051 805 I HN 0.084 nan 8.210 nan 0.000 0.413 806 A N 0.195 123.070 122.820 0.091 0.000 2.125 806 A HA -0.172 4.143 4.320 -0.008 0.000 0.219 806 A C 2.000 179.629 177.584 0.075 0.000 1.156 806 A CA 2.096 54.179 52.037 0.077 0.000 0.671 806 A CB -0.876 18.171 19.000 0.078 0.000 0.794 806 A HN 0.555 nan 8.150 nan 0.000 0.459 807 T N -3.423 111.193 114.554 0.104 0.000 3.182 807 T HA 0.210 4.556 4.350 -0.008 0.000 0.277 807 T C 1.094 175.911 174.700 0.195 0.000 1.013 807 T CA 0.567 62.739 62.100 0.120 0.000 0.900 807 T CB -0.142 68.799 68.868 0.122 0.000 1.098 807 T HN 0.432 nan 8.240 nan 0.000 0.543 808 S N 0.392 116.218 115.700 0.210 0.000 2.527 808 S HA 0.213 4.679 4.470 -0.008 0.000 0.222 808 S C 2.310 177.072 174.600 0.270 0.000 0.985 808 S CA 0.368 58.772 58.200 0.339 0.000 0.921 808 S CB -0.760 62.593 63.200 0.255 0.000 0.772 808 S HN 0.548 nan 8.310 nan 0.000 0.529 809 G N 2.853 111.724 108.800 0.118 0.000 2.547 809 G HA2 -0.365 3.591 3.960 -0.008 0.000 0.221 809 G HA3 -0.365 3.591 3.960 -0.008 0.000 0.221 809 G C 1.313 176.169 174.900 -0.073 0.000 1.140 809 G CA 1.288 46.413 45.100 0.042 0.000 0.760 809 G HN 0.604 nan 8.290 nan 0.000 0.583 810 K N -0.240 119.993 120.400 -0.278 0.000 2.280 810 K HA -0.033 4.282 4.320 -0.008 0.000 0.202 810 K C 1.032 177.244 176.600 -0.647 0.000 1.047 810 K CA 0.683 56.642 56.287 -0.547 0.000 0.942 810 K CB -0.215 31.785 32.500 -0.835 0.000 0.739 810 K HN 0.384 nan 8.250 nan 0.000 0.457 811 F N 0.941 120.921 119.950 0.050 0.000 2.663 811 F HA 0.152 4.674 4.527 -0.008 0.000 0.299 811 F C 0.685 176.532 175.800 0.078 0.000 1.143 811 F CA -0.451 57.584 58.000 0.060 0.000 1.387 811 F CB 0.139 39.169 39.000 0.051 0.000 1.019 811 F HN -0.122 nan 8.300 nan 0.000 0.523 812 S N -0.029 115.749 115.700 0.129 0.000 2.537 812 S HA 0.177 4.642 4.470 -0.008 0.000 0.275 812 S C 1.374 176.057 174.600 0.139 0.000 1.272 812 S CA -0.180 58.102 58.200 0.138 0.000 1.050 812 S CB 1.120 64.375 63.200 0.092 0.000 0.961 812 S HN 0.283 nan 8.310 nan 0.000 0.496 813 S N 2.904 118.716 115.700 0.186 0.000 2.500 813 S HA -0.092 4.374 4.470 -0.008 0.000 0.239 813 S C 0.878 175.544 174.600 0.110 0.000 0.989 813 S CA 0.824 59.159 58.200 0.224 0.000 0.951 813 S CB -0.470 62.934 63.200 0.341 0.000 0.759 813 S HN 0.803 nan 8.310 nan 0.000 0.523 814 D N 1.784 122.228 120.400 0.074 0.000 2.144 814 D HA -0.068 4.568 4.640 -0.008 0.000 0.200 814 D C 2.069 178.374 176.300 0.008 0.000 0.978 814 D CA 0.747 54.766 54.000 0.031 0.000 0.833 814 D CB -0.316 40.500 40.800 0.026 0.000 0.961 814 D HN 0.297 nan 8.370 nan 0.000 0.470 815 R N 0.694 121.200 120.500 0.010 0.000 2.075 815 R HA -0.076 4.259 4.340 -0.008 0.000 0.232 815 R C 1.812 178.098 176.300 -0.025 0.000 1.126 815 R CA 1.321 57.410 56.100 -0.019 0.000 0.963 815 R CB -0.598 29.675 30.300 -0.044 0.000 0.858 815 R HN 0.135 nan 8.270 nan 0.000 0.435 816 T N 2.143 116.706 114.554 0.016 0.000 2.674 816 T HA -0.110 4.236 4.350 -0.008 0.000 0.265 816 T C 1.957 176.659 174.700 0.003 0.000 1.039 816 T CA 1.229 63.355 62.100 0.043 0.000 1.150 816 T CB -0.126 68.863 68.868 0.201 0.000 0.864 816 T HN 0.083 nan 8.240 nan 0.000 0.427 817 I N 1.863 122.360 120.570 -0.121 0.000 2.226 817 I HA -0.128 4.037 4.170 -0.008 0.000 0.245 817 I C 2.968 179.028 176.117 -0.095 0.000 1.100 817 I CA 1.141 62.316 61.300 -0.208 0.000 1.374 817 I CB -1.651 36.224 38.000 -0.207 0.000 1.057 817 I HN 0.204 nan 8.210 nan 0.000 0.413 818 A N 0.137 122.925 122.820 -0.052 0.000 1.940 818 A HA -0.257 4.058 4.320 -0.008 0.000 0.219 818 A C 2.248 179.784 177.584 -0.079 0.000 1.176 818 A CA 1.605 53.621 52.037 -0.035 0.000 0.631 818 A CB -0.626 18.360 19.000 -0.024 0.000 0.814 818 A HN 0.536 nan 8.150 nan 0.000 0.446 819 Q N -1.895 117.835 119.800 -0.116 0.000 2.079 819 Q HA -0.186 4.150 4.340 -0.008 0.000 0.200 819 Q C 1.982 177.807 176.000 -0.291 0.000 0.974 819 Q CA 1.721 57.415 55.803 -0.182 0.000 0.840 819 Q CB -0.316 28.297 28.738 -0.208 0.000 0.898 819 Q HN 0.827 nan 8.270 nan 0.000 0.430 820 Y N 0.578 120.578 120.300 -0.500 0.000 2.128 820 Y HA -0.288 4.257 4.550 -0.008 0.000 0.284 820 Y C 2.472 177.800 175.900 -0.953 0.000 1.154 820 Y CA 1.304 58.855 58.100 -0.915 0.000 1.149 820 Y CB -0.486 37.105 38.460 -1.450 0.000 0.976 820 Y HN 0.159 nan 8.280 nan 0.000 0.505 821 A N 0.339 122.930 122.820 -0.381 0.000 1.865 821 A HA -0.256 4.060 4.320 -0.008 0.000 0.217 821 A C 2.214 179.821 177.584 0.038 0.000 1.191 821 A CA 2.288 54.362 52.037 0.062 0.000 0.623 821 A CB -0.631 18.474 19.000 0.175 0.000 0.826 821 A HN 0.447 nan 8.150 nan 0.000 0.444 822 R N -0.642 119.839 120.500 -0.031 0.000 2.093 822 R HA -0.000 4.335 4.340 -0.008 0.000 0.224 822 R C 1.918 178.197 176.300 -0.035 0.000 1.101 822 R CA 1.418 57.509 56.100 -0.015 0.000 0.979 822 R CB -0.160 30.126 30.300 -0.024 0.000 0.877 822 R HN 0.663 nan 8.270 nan 0.000 0.441 823 E N -0.469 119.670 120.200 -0.102 0.000 2.400 823 E HA 0.075 4.420 4.350 -0.008 0.000 0.195 823 E C 1.289 177.843 176.600 -0.077 0.000 1.012 823 E CA 0.573 56.915 56.400 -0.096 0.000 0.875 823 E CB 0.495 30.106 29.700 -0.148 0.000 0.859 823 E HN 0.306 nan 8.360 nan 0.000 0.498 824 I N -1.401 119.096 120.570 -0.121 0.000 3.878 824 I HA 0.012 4.178 4.170 -0.008 0.000 0.273 824 I C 1.357 177.616 176.117 0.237 0.000 1.165 824 I CA -0.165 61.127 61.300 -0.014 0.000 1.360 824 I CB 0.151 38.018 38.000 -0.221 0.000 1.539 824 I HN 0.094 nan 8.210 nan 0.000 0.447 825 W N 1.682 123.080 121.300 0.163 0.000 2.436 825 W HA 0.217 4.872 4.660 -0.008 0.000 0.284 825 W C 1.634 178.195 176.519 0.069 0.000 1.225 825 W CA 1.197 58.619 57.345 0.128 0.000 1.271 825 W CB -1.173 28.344 29.460 0.094 0.000 1.114 825 W HN 0.362 nan 8.180 nan 0.000 0.559 826 G N 0.524 109.470 108.800 0.244 0.000 2.204 826 G HA2 -0.100 3.855 3.960 -0.008 0.000 0.244 826 G HA3 -0.100 3.855 3.960 -0.008 0.000 0.244 826 G C -0.341 174.632 174.900 0.121 0.000 1.062 826 G CA 0.124 45.307 45.100 0.137 0.000 0.798 826 G HN 0.506 nan 8.290 nan 0.000 0.496 827 V N -3.239 116.767 119.914 0.153 0.000 2.876 827 V HA 0.919 5.035 4.120 -0.008 0.000 0.312 827 V C -0.276 175.877 176.094 0.097 0.000 1.085 827 V CA -1.383 60.984 62.300 0.112 0.000 0.945 827 V CB 2.243 34.135 31.823 0.115 0.000 1.017 827 V HN 0.416 nan 8.190 nan 0.000 0.428 828 E N 5.433 125.673 120.200 0.066 0.000 2.167 828 E HA 0.583 4.928 4.350 -0.008 0.000 0.284 828 E C -2.305 174.330 176.600 0.059 0.000 1.016 828 E CA -1.990 54.443 56.400 0.055 0.000 0.817 828 E CB 1.143 30.868 29.700 0.041 0.000 1.080 828 E HN 0.791 nan 8.360 nan 0.000 0.397 829 P HA 0.142 nan 4.420 nan 0.000 0.272 829 P C -0.926 176.404 177.300 0.050 0.000 1.240 829 P CA -0.471 62.664 63.100 0.058 0.000 0.791 829 P CB 1.060 32.790 31.700 0.049 0.000 0.978 830 S N 0.212 115.944 115.700 0.053 0.000 2.562 830 S HA 0.300 4.766 4.470 -0.008 0.000 0.274 830 S C 0.292 174.921 174.600 0.047 0.000 1.160 830 S CA -0.731 57.499 58.200 0.049 0.000 0.933 830 S CB 0.929 64.164 63.200 0.058 0.000 1.100 830 S HN 0.247 nan 8.310 nan 0.000 0.468 831 R N 1.781 122.305 120.500 0.039 0.000 2.317 831 R HA 0.168 4.504 4.340 -0.008 0.000 0.208 831 R C 0.419 176.736 176.300 0.028 0.000 0.914 831 R CA -0.032 56.090 56.100 0.038 0.000 1.060 831 R CB -0.462 29.861 30.300 0.038 0.000 1.015 831 R HN 0.719 nan 8.270 nan 0.000 0.498 832 Q N 1.640 121.455 119.800 0.026 0.000 2.286 832 Q HA -0.013 4.323 4.340 -0.008 0.000 0.290 832 Q C -0.262 175.736 176.000 -0.004 0.000 1.049 832 Q CA 0.462 56.273 55.803 0.013 0.000 0.923 832 Q CB 0.418 29.167 28.738 0.019 0.000 1.183 832 Q HN -0.053 nan 8.270 nan 0.000 0.383 833 R N 3.326 123.815 120.500 -0.019 0.000 2.594 833 R HA 0.281 4.616 4.340 -0.008 0.000 0.272 833 R C -0.363 175.898 176.300 -0.066 0.000 1.074 833 R CA -0.301 55.774 56.100 -0.040 0.000 1.105 833 R CB 0.482 30.758 30.300 -0.040 0.000 1.008 833 R HN 0.684 nan 8.270 nan 0.000 0.472 834 L N 4.256 125.424 121.223 -0.092 0.000 2.375 834 L HA 0.412 4.747 4.340 -0.008 0.000 0.268 834 L C -1.788 175.026 176.870 -0.094 0.000 1.058 834 L CA -2.198 52.558 54.840 -0.140 0.000 0.803 834 L CB 1.530 43.474 42.059 -0.192 0.000 1.212 834 L HN 0.481 nan 8.230 nan 0.000 0.451 835 P HA 0.000 nan 4.420 nan 0.000 0.216 835 P CA 0.000 63.069 63.100 -0.052 0.000 0.800 835 P CB 0.000 31.675 31.700 -0.042 0.000 0.726